USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 635 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 58 MET CE :methyl -169:sc= -0.323 (180deg=-1.11) USER MOD Set 1.2: A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -133:sc= 0.517 (180deg=-0.165) USER MOD Single : A 20 THR OG1 : rot -3:sc= 1.02 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -156:sc= 0.459 (180deg=0.0244) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0.683 (180deg=0.453) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -167:sc= -1.65 (180deg=-2.21) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0135 K(o=-0.014,f=-2.3!) USER MOD Single : A 61 MET CE :methyl -146:sc= -2.81 (180deg=-3.98!) USER MOD Single : A 62 TYR OH : rot 67:sc= 0.339 USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00865) USER MOD Single : A 67 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.8!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 170:sc= -0.0181 (180deg=-0.148) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 7 -0.698 -14.027 8.410 1.00 1.35 N ATOM 114 CA LYS A 7 0.493 -13.259 8.852 1.00 53.24 C ATOM 115 C LYS A 7 0.946 -12.253 7.770 1.00 45.35 C ATOM 116 O LYS A 7 1.531 -11.201 8.071 1.00 13.23 O ATOM 117 CB LYS A 7 1.624 -14.251 9.208 1.00 42.24 C ATOM 118 CG LYS A 7 2.807 -13.629 9.975 1.00 31.45 C ATOM 119 CD LYS A 7 3.819 -14.695 10.440 1.00 32.24 C ATOM 120 CE LYS A 7 4.934 -14.110 11.312 1.00 2.25 C ATOM 121 NZ LYS A 7 5.860 -15.164 11.796 1.00 32.42 N ATOM 0 HA LYS A 7 0.237 -12.674 9.736 1.00 53.24 H new ATOM 0 HB2 LYS A 7 1.205 -15.059 9.807 1.00 42.24 H new ATOM 0 HB3 LYS A 7 2.000 -14.698 8.288 1.00 42.24 H new ATOM 0 HG2 LYS A 7 3.312 -12.904 9.337 1.00 31.45 H new ATOM 0 HG3 LYS A 7 2.431 -13.084 10.841 1.00 31.45 H new ATOM 0 HD2 LYS A 7 3.294 -15.469 11.000 1.00 32.24 H new ATOM 0 HD3 LYS A 7 4.260 -15.176 9.567 1.00 32.24 H new ATOM 0 HE2 LYS A 7 5.493 -13.369 10.740 1.00 2.25 H new ATOM 0 HE3 LYS A 7 4.496 -13.591 12.164 1.00 2.25 H new ATOM 0 HZ1 LYS A 7 6.602 -14.732 12.383 1.00 32.42 H new ATOM 0 HZ2 LYS A 7 5.331 -15.858 12.362 1.00 32.42 H new ATOM 0 HZ3 LYS A 7 6.297 -15.642 10.983 1.00 32.42 H new ATOM 135 N LEU A 8 0.685 -12.622 6.503 1.00 25.52 N ATOM 136 CA LEU A 8 0.819 -11.727 5.330 1.00 74.12 C ATOM 137 C LEU A 8 0.002 -10.425 5.528 1.00 44.53 C ATOM 138 O LEU A 8 0.439 -9.349 5.122 1.00 41.11 O ATOM 139 CB LEU A 8 0.348 -12.506 4.061 1.00 23.20 C ATOM 140 CG LEU A 8 0.582 -11.855 2.642 1.00 63.12 C ATOM 141 CD1 LEU A 8 0.578 -12.937 1.554 1.00 60.42 C ATOM 142 CD2 LEU A 8 -0.465 -10.764 2.277 1.00 11.32 C ATOM 0 H LEU A 8 0.371 -13.561 6.258 1.00 25.52 H new ATOM 0 HA LEU A 8 1.861 -11.429 5.209 1.00 74.12 H new ATOM 0 HB2 LEU A 8 0.845 -13.476 4.066 1.00 23.20 H new ATOM 0 HB3 LEU A 8 -0.720 -12.694 4.166 1.00 23.20 H new ATOM 0 HG LEU A 8 1.554 -11.364 2.695 1.00 63.12 H new ATOM 0 HD11 LEU A 8 0.740 -12.475 0.580 1.00 60.42 H new ATOM 0 HD12 LEU A 8 1.374 -13.655 1.752 1.00 60.42 H new ATOM 0 HD13 LEU A 8 -0.383 -13.451 1.556 1.00 60.42 H new ATOM 0 HD21 LEU A 8 -0.242 -10.361 1.289 1.00 11.32 H new ATOM 0 HD22 LEU A 8 -1.462 -11.204 2.272 1.00 11.32 H new ATOM 0 HD23 LEU A 8 -0.426 -9.961 3.013 1.00 11.32 H new ATOM 154 N LEU A 9 -1.186 -10.546 6.149 1.00 62.01 N ATOM 155 CA LEU A 9 -2.108 -9.407 6.360 1.00 3.44 C ATOM 156 C LEU A 9 -1.606 -8.478 7.502 1.00 54.30 C ATOM 157 O LEU A 9 -1.851 -7.264 7.475 1.00 72.54 O ATOM 158 CB LEU A 9 -3.547 -9.907 6.653 1.00 50.42 C ATOM 159 CG LEU A 9 -4.100 -11.063 5.744 1.00 2.41 C ATOM 160 CD1 LEU A 9 -5.603 -11.308 6.015 1.00 4.11 C ATOM 161 CD2 LEU A 9 -3.829 -10.822 4.233 1.00 50.13 C ATOM 0 H LEU A 9 -1.535 -11.430 6.518 1.00 62.01 H new ATOM 0 HA LEU A 9 -2.129 -8.824 5.439 1.00 3.44 H new ATOM 0 HB2 LEU A 9 -3.584 -10.244 7.689 1.00 50.42 H new ATOM 0 HB3 LEU A 9 -4.224 -9.057 6.570 1.00 50.42 H new ATOM 0 HG LEU A 9 -3.551 -11.965 6.013 1.00 2.41 H new ATOM 0 HD11 LEU A 9 -5.962 -12.113 5.373 1.00 4.11 H new ATOM 0 HD12 LEU A 9 -5.744 -11.586 7.059 1.00 4.11 H new ATOM 0 HD13 LEU A 9 -6.164 -10.398 5.803 1.00 4.11 H new ATOM 0 HD21 LEU A 9 -4.233 -11.652 3.654 1.00 50.13 H new ATOM 0 HD22 LEU A 9 -4.309 -9.894 3.921 1.00 50.13 H new ATOM 0 HD23 LEU A 9 -2.755 -10.750 4.063 1.00 50.13 H new ATOM 173 N GLU A 10 -0.909 -9.069 8.506 1.00 52.11 N ATOM 174 CA GLU A 10 -0.167 -8.301 9.551 1.00 10.15 C ATOM 175 C GLU A 10 0.946 -7.441 8.910 1.00 4.21 C ATOM 176 O GLU A 10 1.181 -6.292 9.311 1.00 61.44 O ATOM 177 CB GLU A 10 0.439 -9.252 10.639 1.00 61.54 C ATOM 178 CG GLU A 10 -0.552 -9.785 11.705 1.00 41.34 C ATOM 179 CD GLU A 10 -1.606 -10.777 11.171 1.00 11.10 C ATOM 180 OE1 GLU A 10 -2.622 -10.329 10.598 1.00 14.53 O ATOM 181 OE2 GLU A 10 -1.437 -12.001 11.352 1.00 21.12 O ATOM 0 H GLU A 10 -0.843 -10.081 8.618 1.00 52.11 H new ATOM 0 HA GLU A 10 -0.881 -7.640 10.042 1.00 10.15 H new ATOM 0 HB2 GLU A 10 0.893 -10.105 10.135 1.00 61.54 H new ATOM 0 HB3 GLU A 10 1.241 -8.721 11.151 1.00 61.54 H new ATOM 0 HG2 GLU A 10 0.016 -10.272 12.497 1.00 41.34 H new ATOM 0 HG3 GLU A 10 -1.067 -8.938 12.157 1.00 41.34 H new ATOM 188 N LYS A 11 1.628 -8.034 7.916 1.00 62.40 N ATOM 189 CA LYS A 11 2.632 -7.336 7.092 1.00 62.42 C ATOM 190 C LYS A 11 1.973 -6.257 6.193 1.00 12.54 C ATOM 191 O LYS A 11 2.521 -5.165 6.032 1.00 42.53 O ATOM 192 CB LYS A 11 3.411 -8.377 6.233 1.00 15.12 C ATOM 193 CG LYS A 11 4.445 -7.823 5.209 1.00 55.44 C ATOM 194 CD LYS A 11 5.785 -7.302 5.818 1.00 12.43 C ATOM 195 CE LYS A 11 5.697 -5.890 6.425 1.00 30.34 C ATOM 196 NZ LYS A 11 7.016 -5.400 6.907 1.00 43.51 N ATOM 0 H LYS A 11 1.499 -9.013 7.660 1.00 62.40 H new ATOM 0 HA LYS A 11 3.331 -6.822 7.752 1.00 62.42 H new ATOM 0 HB2 LYS A 11 3.935 -9.051 6.911 1.00 15.12 H new ATOM 0 HB3 LYS A 11 2.683 -8.977 5.687 1.00 15.12 H new ATOM 0 HG2 LYS A 11 4.675 -8.610 4.490 1.00 55.44 H new ATOM 0 HG3 LYS A 11 3.979 -7.010 4.653 1.00 55.44 H new ATOM 0 HD2 LYS A 11 6.114 -7.997 6.590 1.00 12.43 H new ATOM 0 HD3 LYS A 11 6.549 -7.304 5.041 1.00 12.43 H new ATOM 0 HE2 LYS A 11 5.306 -5.199 5.678 1.00 30.34 H new ATOM 0 HE3 LYS A 11 4.989 -5.897 7.254 1.00 30.34 H new ATOM 0 HZ1 LYS A 11 6.907 -4.446 7.307 1.00 43.51 H new ATOM 0 HZ2 LYS A 11 7.379 -6.043 7.639 1.00 43.51 H new ATOM 0 HZ3 LYS A 11 7.686 -5.367 6.112 1.00 43.51 H new ATOM 210 N LEU A 12 0.785 -6.575 5.644 1.00 62.15 N ATOM 211 CA LEU A 12 0.066 -5.712 4.676 1.00 71.31 C ATOM 212 C LEU A 12 -0.276 -4.335 5.294 1.00 63.13 C ATOM 213 O LEU A 12 0.121 -3.298 4.761 1.00 35.21 O ATOM 214 CB LEU A 12 -1.199 -6.470 4.140 1.00 22.15 C ATOM 215 CG LEU A 12 -2.012 -5.830 2.944 1.00 75.34 C ATOM 216 CD1 LEU A 12 -3.031 -4.767 3.423 1.00 23.55 C ATOM 217 CD2 LEU A 12 -1.058 -5.252 1.860 1.00 14.54 C ATOM 0 H LEU A 12 0.291 -7.441 5.858 1.00 62.15 H new ATOM 0 HA LEU A 12 0.715 -5.502 3.826 1.00 71.31 H new ATOM 0 HB2 LEU A 12 -0.882 -7.466 3.830 1.00 22.15 H new ATOM 0 HB3 LEU A 12 -1.886 -6.600 4.976 1.00 22.15 H new ATOM 0 HG LEU A 12 -2.590 -6.635 2.490 1.00 75.34 H new ATOM 0 HD11 LEU A 12 -3.562 -4.359 2.563 1.00 23.55 H new ATOM 0 HD12 LEU A 12 -3.745 -5.229 4.105 1.00 23.55 H new ATOM 0 HD13 LEU A 12 -2.504 -3.964 3.938 1.00 23.55 H new ATOM 0 HD21 LEU A 12 -1.646 -4.819 1.051 1.00 14.54 H new ATOM 0 HD22 LEU A 12 -0.428 -4.481 2.303 1.00 14.54 H new ATOM 0 HD23 LEU A 12 -0.430 -6.050 1.465 1.00 14.54 H new ATOM 229 N GLU A 13 -0.989 -4.343 6.433 1.00 53.31 N ATOM 230 CA GLU A 13 -1.340 -3.099 7.164 1.00 54.32 C ATOM 231 C GLU A 13 -0.090 -2.340 7.663 1.00 55.11 C ATOM 232 O GLU A 13 -0.128 -1.116 7.776 1.00 75.13 O ATOM 233 CB GLU A 13 -2.327 -3.374 8.335 1.00 65.53 C ATOM 234 CG GLU A 13 -3.766 -3.713 7.880 1.00 51.23 C ATOM 235 CD GLU A 13 -4.773 -3.793 9.046 1.00 73.12 C ATOM 236 OE1 GLU A 13 -5.030 -2.752 9.690 1.00 32.43 O ATOM 237 OE2 GLU A 13 -5.291 -4.889 9.341 1.00 2.11 O ATOM 0 H GLU A 13 -1.337 -5.195 6.873 1.00 53.31 H new ATOM 0 HA GLU A 13 -1.846 -2.454 6.446 1.00 54.32 H new ATOM 0 HB2 GLU A 13 -1.943 -4.200 8.934 1.00 65.53 H new ATOM 0 HB3 GLU A 13 -2.359 -2.498 8.983 1.00 65.53 H new ATOM 0 HG2 GLU A 13 -4.102 -2.957 7.170 1.00 51.23 H new ATOM 0 HG3 GLU A 13 -3.757 -4.666 7.351 1.00 51.23 H new ATOM 244 N LYS A 14 1.009 -3.067 7.961 1.00 61.11 N ATOM 245 CA LYS A 14 2.283 -2.433 8.377 1.00 71.53 C ATOM 246 C LYS A 14 2.955 -1.678 7.199 1.00 52.42 C ATOM 247 O LYS A 14 3.606 -0.649 7.408 1.00 3.45 O ATOM 248 CB LYS A 14 3.257 -3.478 8.979 1.00 25.21 C ATOM 249 CG LYS A 14 4.455 -2.843 9.722 1.00 25.31 C ATOM 250 CD LYS A 14 5.453 -3.883 10.279 1.00 51.22 C ATOM 251 CE LYS A 14 6.482 -3.248 11.234 1.00 61.13 C ATOM 252 NZ LYS A 14 7.212 -2.115 10.612 1.00 32.04 N ATOM 0 H LYS A 14 1.042 -4.086 7.922 1.00 61.11 H new ATOM 0 HA LYS A 14 2.043 -1.703 9.150 1.00 71.53 H new ATOM 0 HB2 LYS A 14 2.709 -4.119 9.669 1.00 25.21 H new ATOM 0 HB3 LYS A 14 3.632 -4.117 8.180 1.00 25.21 H new ATOM 0 HG2 LYS A 14 4.981 -2.173 9.042 1.00 25.31 H new ATOM 0 HG3 LYS A 14 4.081 -2.233 10.544 1.00 25.31 H new ATOM 0 HD2 LYS A 14 4.905 -4.664 10.805 1.00 51.22 H new ATOM 0 HD3 LYS A 14 5.975 -4.362 9.451 1.00 51.22 H new ATOM 0 HE2 LYS A 14 5.972 -2.898 12.132 1.00 61.13 H new ATOM 0 HE3 LYS A 14 7.197 -4.008 11.549 1.00 61.13 H new ATOM 0 HZ1 LYS A 14 8.231 -2.217 10.793 1.00 32.04 H new ATOM 0 HZ2 LYS A 14 7.041 -2.113 9.586 1.00 32.04 H new ATOM 0 HZ3 LYS A 14 6.876 -1.220 11.020 1.00 32.04 H new ATOM 266 N ILE A 15 2.797 -2.200 5.961 1.00 24.53 N ATOM 267 CA ILE A 15 3.235 -1.494 4.733 1.00 20.51 C ATOM 268 C ILE A 15 2.398 -0.218 4.549 1.00 52.30 C ATOM 269 O ILE A 15 2.953 0.851 4.388 1.00 25.31 O ATOM 270 CB ILE A 15 3.142 -2.401 3.444 1.00 24.11 C ATOM 271 CG1 ILE A 15 4.051 -3.661 3.600 1.00 60.34 C ATOM 272 CG2 ILE A 15 3.511 -1.616 2.148 1.00 60.15 C ATOM 273 CD1 ILE A 15 3.964 -4.648 2.458 1.00 53.23 C ATOM 0 H ILE A 15 2.369 -3.109 5.785 1.00 24.53 H new ATOM 0 HA ILE A 15 4.286 -1.236 4.859 1.00 20.51 H new ATOM 0 HB ILE A 15 2.105 -2.721 3.343 1.00 24.11 H new ATOM 0 HG12 ILE A 15 5.086 -3.335 3.703 1.00 60.34 H new ATOM 0 HG13 ILE A 15 3.785 -4.172 4.525 1.00 60.34 H new ATOM 0 HG21 ILE A 15 3.433 -2.279 1.286 1.00 60.15 H new ATOM 0 HG22 ILE A 15 2.826 -0.777 2.023 1.00 60.15 H new ATOM 0 HG23 ILE A 15 4.532 -1.242 2.227 1.00 60.15 H new ATOM 0 HD11 ILE A 15 4.629 -5.490 2.653 1.00 53.23 H new ATOM 0 HD12 ILE A 15 2.939 -5.008 2.366 1.00 53.23 H new ATOM 0 HD13 ILE A 15 4.261 -4.158 1.531 1.00 53.23 H new ATOM 285 N LEU A 16 1.061 -0.359 4.624 1.00 61.42 N ATOM 286 CA LEU A 16 0.097 0.778 4.566 1.00 34.14 C ATOM 287 C LEU A 16 0.389 1.841 5.671 1.00 51.41 C ATOM 288 O LEU A 16 0.185 3.036 5.460 1.00 71.45 O ATOM 289 CB LEU A 16 -1.368 0.233 4.680 1.00 31.40 C ATOM 290 CG LEU A 16 -2.043 -0.307 3.361 1.00 63.25 C ATOM 291 CD1 LEU A 16 -1.150 -1.307 2.585 1.00 73.32 C ATOM 292 CD2 LEU A 16 -3.424 -0.937 3.679 1.00 12.20 C ATOM 0 H LEU A 16 0.607 -1.267 4.727 1.00 61.42 H new ATOM 0 HA LEU A 16 0.216 1.280 3.606 1.00 34.14 H new ATOM 0 HB2 LEU A 16 -1.372 -0.572 5.415 1.00 31.40 H new ATOM 0 HB3 LEU A 16 -1.995 1.031 5.077 1.00 31.40 H new ATOM 0 HG LEU A 16 -2.181 0.553 2.706 1.00 63.25 H new ATOM 0 HD11 LEU A 16 -1.672 -1.641 1.688 1.00 73.32 H new ATOM 0 HD12 LEU A 16 -0.218 -0.818 2.302 1.00 73.32 H new ATOM 0 HD13 LEU A 16 -0.931 -2.167 3.218 1.00 73.32 H new ATOM 0 HD21 LEU A 16 -3.877 -1.305 2.758 1.00 12.20 H new ATOM 0 HD22 LEU A 16 -3.294 -1.765 4.376 1.00 12.20 H new ATOM 0 HD23 LEU A 16 -4.073 -0.184 4.127 1.00 12.20 H new ATOM 304 N ASP A 17 0.893 1.377 6.830 1.00 33.41 N ATOM 305 CA ASP A 17 1.335 2.249 7.943 1.00 40.32 C ATOM 306 C ASP A 17 2.606 3.045 7.566 1.00 73.53 C ATOM 307 O ASP A 17 2.707 4.233 7.849 1.00 4.51 O ATOM 308 CB ASP A 17 1.591 1.397 9.211 1.00 22.21 C ATOM 309 CG ASP A 17 2.129 2.214 10.398 1.00 55.51 C ATOM 310 OD1 ASP A 17 1.349 2.984 11.001 1.00 5.13 O ATOM 311 OD2 ASP A 17 3.336 2.117 10.713 1.00 13.33 O ATOM 0 H ASP A 17 1.007 0.382 7.025 1.00 33.41 H new ATOM 0 HA ASP A 17 0.541 2.968 8.146 1.00 40.32 H new ATOM 0 HB2 ASP A 17 0.662 0.910 9.506 1.00 22.21 H new ATOM 0 HB3 ASP A 17 2.303 0.607 8.971 1.00 22.21 H new ATOM 316 N GLU A 18 3.569 2.357 6.943 1.00 62.45 N ATOM 317 CA GLU A 18 4.842 2.971 6.504 1.00 3.01 C ATOM 318 C GLU A 18 4.678 3.816 5.219 1.00 31.53 C ATOM 319 O GLU A 18 5.518 4.665 4.930 1.00 43.22 O ATOM 320 CB GLU A 18 5.932 1.883 6.360 1.00 20.31 C ATOM 321 CG GLU A 18 6.353 1.274 7.721 1.00 35.14 C ATOM 322 CD GLU A 18 7.535 0.300 7.630 1.00 15.33 C ATOM 323 OE1 GLU A 18 8.597 0.698 7.115 1.00 30.41 O ATOM 324 OE2 GLU A 18 7.420 -0.856 8.090 1.00 25.45 O ATOM 0 H GLU A 18 3.496 1.363 6.726 1.00 62.45 H new ATOM 0 HA GLU A 18 5.163 3.673 7.274 1.00 3.01 H new ATOM 0 HB2 GLU A 18 5.564 1.089 5.710 1.00 20.31 H new ATOM 0 HB3 GLU A 18 6.807 2.313 5.873 1.00 20.31 H new ATOM 0 HG2 GLU A 18 6.613 2.082 8.404 1.00 35.14 H new ATOM 0 HG3 GLU A 18 5.499 0.753 8.154 1.00 35.14 H new ATOM 331 N VAL A 19 3.604 3.563 4.451 1.00 3.44 N ATOM 332 CA VAL A 19 3.204 4.401 3.298 1.00 21.21 C ATOM 333 C VAL A 19 2.551 5.725 3.784 1.00 14.12 C ATOM 334 O VAL A 19 2.828 6.785 3.228 1.00 30.14 O ATOM 335 CB VAL A 19 2.244 3.615 2.311 1.00 11.33 C ATOM 336 CG1 VAL A 19 1.683 4.525 1.198 1.00 34.11 C ATOM 337 CG2 VAL A 19 2.974 2.398 1.687 1.00 65.15 C ATOM 0 H VAL A 19 2.984 2.769 4.610 1.00 3.44 H new ATOM 0 HA VAL A 19 4.105 4.651 2.738 1.00 21.21 H new ATOM 0 HB VAL A 19 1.401 3.260 2.904 1.00 11.33 H new ATOM 0 HG11 VAL A 19 1.031 3.943 0.546 1.00 34.11 H new ATOM 0 HG12 VAL A 19 1.115 5.340 1.646 1.00 34.11 H new ATOM 0 HG13 VAL A 19 2.507 4.936 0.614 1.00 34.11 H new ATOM 0 HG21 VAL A 19 2.296 1.873 1.013 1.00 65.15 H new ATOM 0 HG22 VAL A 19 3.845 2.743 1.130 1.00 65.15 H new ATOM 0 HG23 VAL A 19 3.295 1.721 2.479 1.00 65.15 H new ATOM 347 N THR A 20 1.694 5.653 4.833 1.00 52.12 N ATOM 348 CA THR A 20 1.151 6.866 5.517 1.00 64.11 C ATOM 349 C THR A 20 2.272 7.618 6.294 1.00 0.35 C ATOM 350 O THR A 20 2.205 8.837 6.474 1.00 25.15 O ATOM 351 CB THR A 20 -0.027 6.539 6.514 1.00 63.45 C ATOM 352 OG1 THR A 20 0.404 5.603 7.506 1.00 44.04 O ATOM 353 CG2 THR A 20 -1.269 5.969 5.811 1.00 30.53 C ATOM 0 H THR A 20 1.361 4.773 5.227 1.00 52.12 H new ATOM 0 HA THR A 20 0.754 7.498 4.723 1.00 64.11 H new ATOM 0 HB THR A 20 -0.305 7.488 6.973 1.00 63.45 H new ATOM 0 HG1 THR A 20 1.327 5.332 7.320 1.00 44.04 H new ATOM 0 HG21 THR A 20 -2.044 5.765 6.550 1.00 30.53 H new ATOM 0 HG22 THR A 20 -1.641 6.693 5.086 1.00 30.53 H new ATOM 0 HG23 THR A 20 -1.004 5.045 5.298 1.00 30.53 H new ATOM 361 N ASP A 21 3.297 6.864 6.740 1.00 54.23 N ATOM 362 CA ASP A 21 4.486 7.410 7.445 1.00 2.01 C ATOM 363 C ASP A 21 5.422 8.172 6.465 1.00 52.45 C ATOM 364 O ASP A 21 5.846 9.294 6.745 1.00 24.52 O ATOM 365 CB ASP A 21 5.238 6.242 8.132 1.00 1.33 C ATOM 366 CG ASP A 21 6.463 6.675 8.947 1.00 71.42 C ATOM 367 OD1 ASP A 21 6.300 7.052 10.126 1.00 13.54 O ATOM 368 OD2 ASP A 21 7.596 6.628 8.419 1.00 3.22 O ATOM 0 H ASP A 21 3.328 5.851 6.623 1.00 54.23 H new ATOM 0 HA ASP A 21 4.159 8.128 8.197 1.00 2.01 H new ATOM 0 HB2 ASP A 21 4.546 5.716 8.789 1.00 1.33 H new ATOM 0 HB3 ASP A 21 5.556 5.531 7.369 1.00 1.33 H new ATOM 373 N GLY A 22 5.720 7.539 5.313 1.00 14.45 N ATOM 374 CA GLY A 22 6.546 8.145 4.247 1.00 14.23 C ATOM 375 C GLY A 22 5.713 8.875 3.184 1.00 3.33 C ATOM 376 O GLY A 22 6.147 9.028 2.036 1.00 10.54 O ATOM 0 H GLY A 22 5.397 6.597 5.095 1.00 14.45 H new ATOM 0 HA2 GLY A 22 7.249 8.847 4.695 1.00 14.23 H new ATOM 0 HA3 GLY A 22 7.137 7.366 3.766 1.00 14.23 H new ATOM 380 N ALA A 23 4.505 9.311 3.582 1.00 24.50 N ATOM 381 CA ALA A 23 3.564 10.039 2.713 1.00 32.13 C ATOM 382 C ALA A 23 3.929 11.537 2.562 1.00 73.34 C ATOM 383 O ALA A 23 4.157 12.216 3.570 1.00 12.34 O ATOM 384 CB ALA A 23 2.148 9.920 3.289 1.00 73.43 C ATOM 0 H ALA A 23 4.151 9.166 4.527 1.00 24.50 H new ATOM 0 HA ALA A 23 3.620 9.588 1.722 1.00 32.13 H new ATOM 0 HB1 ALA A 23 1.448 10.457 2.649 1.00 73.43 H new ATOM 0 HB2 ALA A 23 1.862 8.869 3.337 1.00 73.43 H new ATOM 0 HB3 ALA A 23 2.126 10.349 4.291 1.00 73.43 H new ATOM 390 N PRO A 24 3.994 12.075 1.300 1.00 61.10 N ATOM 391 CA PRO A 24 4.036 13.544 1.052 1.00 51.44 C ATOM 392 C PRO A 24 2.722 14.261 1.491 1.00 35.44 C ATOM 393 O PRO A 24 1.709 13.603 1.769 1.00 64.11 O ATOM 394 CB PRO A 24 4.263 13.649 -0.486 1.00 2.43 C ATOM 395 CG PRO A 24 4.778 12.295 -0.890 1.00 44.34 C ATOM 396 CD PRO A 24 4.102 11.312 0.035 1.00 61.10 C ATOM 0 HA PRO A 24 4.816 14.037 1.632 1.00 51.44 H new ATOM 0 HB2 PRO A 24 3.337 13.892 -1.007 1.00 2.43 H new ATOM 0 HB3 PRO A 24 4.980 14.434 -0.728 1.00 2.43 H new ATOM 0 HG2 PRO A 24 4.541 12.080 -1.932 1.00 44.34 H new ATOM 0 HG3 PRO A 24 5.862 12.243 -0.793 1.00 44.34 H new ATOM 0 HD2 PRO A 24 3.124 11.010 -0.340 1.00 61.10 H new ATOM 0 HD3 PRO A 24 4.690 10.403 0.160 1.00 61.10 H new ATOM 404 N ASP A 25 2.756 15.611 1.489 1.00 13.35 N ATOM 405 CA ASP A 25 1.688 16.481 2.066 1.00 64.11 C ATOM 406 C ASP A 25 0.273 16.169 1.490 1.00 14.04 C ATOM 407 O ASP A 25 -0.578 15.588 2.180 1.00 4.22 O ATOM 408 CB ASP A 25 2.042 17.979 1.823 1.00 61.31 C ATOM 409 CG ASP A 25 3.472 18.331 2.249 1.00 40.13 C ATOM 410 OD1 ASP A 25 3.697 18.637 3.436 1.00 51.43 O ATOM 411 OD2 ASP A 25 4.385 18.278 1.399 1.00 43.21 O ATOM 0 H ASP A 25 3.529 16.140 1.085 1.00 13.35 H new ATOM 0 HA ASP A 25 1.647 16.272 3.135 1.00 64.11 H new ATOM 0 HB2 ASP A 25 1.916 18.210 0.765 1.00 61.31 H new ATOM 0 HB3 ASP A 25 1.340 18.607 2.372 1.00 61.31 H new ATOM 416 N GLU A 26 0.051 16.531 0.209 1.00 25.03 N ATOM 417 CA GLU A 26 -1.252 16.334 -0.475 1.00 44.14 C ATOM 418 C GLU A 26 -1.454 14.870 -0.942 1.00 74.43 C ATOM 419 O GLU A 26 -2.593 14.416 -1.096 1.00 21.31 O ATOM 420 CB GLU A 26 -1.383 17.304 -1.682 1.00 1.35 C ATOM 421 CG GLU A 26 -0.281 17.154 -2.755 1.00 13.01 C ATOM 422 CD GLU A 26 -0.474 18.081 -3.965 1.00 13.21 C ATOM 423 OE1 GLU A 26 -0.270 19.302 -3.821 1.00 34.11 O ATOM 424 OE2 GLU A 26 -0.835 17.594 -5.060 1.00 72.11 O ATOM 0 H GLU A 26 0.762 16.965 -0.380 1.00 25.03 H new ATOM 0 HA GLU A 26 -2.033 16.555 0.252 1.00 44.14 H new ATOM 0 HB2 GLU A 26 -2.353 17.147 -2.153 1.00 1.35 H new ATOM 0 HB3 GLU A 26 -1.372 18.328 -1.310 1.00 1.35 H new ATOM 0 HG2 GLU A 26 0.688 17.360 -2.300 1.00 13.01 H new ATOM 0 HG3 GLU A 26 -0.258 16.120 -3.099 1.00 13.01 H new ATOM 431 N ALA A 27 -0.339 14.136 -1.153 1.00 20.53 N ATOM 432 CA ALA A 27 -0.377 12.725 -1.614 1.00 11.00 C ATOM 433 C ALA A 27 -0.957 11.781 -0.536 1.00 43.01 C ATOM 434 O ALA A 27 -1.561 10.756 -0.868 1.00 55.53 O ATOM 435 CB ALA A 27 1.020 12.257 -2.042 1.00 42.31 C ATOM 0 H ALA A 27 0.604 14.497 -1.011 1.00 20.53 H new ATOM 0 HA ALA A 27 -1.041 12.684 -2.477 1.00 11.00 H new ATOM 0 HB1 ALA A 27 0.970 11.221 -2.376 1.00 42.31 H new ATOM 0 HB2 ALA A 27 1.380 12.884 -2.857 1.00 42.31 H new ATOM 0 HB3 ALA A 27 1.704 12.333 -1.197 1.00 42.31 H new ATOM 441 N ARG A 28 -0.783 12.157 0.753 1.00 42.13 N ATOM 442 CA ARG A 28 -1.292 11.373 1.908 1.00 63.31 C ATOM 443 C ARG A 28 -2.820 11.141 1.826 1.00 52.31 C ATOM 444 O ARG A 28 -3.305 10.092 2.221 1.00 2.51 O ATOM 445 CB ARG A 28 -0.962 12.085 3.252 1.00 61.01 C ATOM 446 CG ARG A 28 -1.131 11.180 4.507 1.00 12.41 C ATOM 447 CD ARG A 28 -1.202 11.974 5.824 1.00 13.30 C ATOM 448 NE ARG A 28 -2.467 12.727 5.936 1.00 21.15 N ATOM 449 CZ ARG A 28 -2.626 13.878 6.548 1.00 1.41 C ATOM 450 NH1 ARG A 28 -1.625 14.519 7.058 1.00 42.14 N ATOM 451 NH2 ARG A 28 -3.799 14.395 6.622 1.00 62.44 N ATOM 0 H ARG A 28 -0.289 13.007 1.023 1.00 42.13 H new ATOM 0 HA ARG A 28 -0.791 10.406 1.869 1.00 63.31 H new ATOM 0 HB2 ARG A 28 0.065 12.450 3.215 1.00 61.01 H new ATOM 0 HB3 ARG A 28 -1.607 12.958 3.357 1.00 61.01 H new ATOM 0 HG2 ARG A 28 -2.039 10.587 4.399 1.00 12.41 H new ATOM 0 HG3 ARG A 28 -0.297 10.480 4.557 1.00 12.41 H new ATOM 0 HD2 ARG A 28 -1.109 11.290 6.668 1.00 13.30 H new ATOM 0 HD3 ARG A 28 -0.360 12.665 5.879 1.00 13.30 H new ATOM 0 HE ARG A 28 -3.292 12.316 5.499 1.00 21.15 H new ATOM 0 HH11 ARG A 28 -0.684 14.132 6.990 1.00 42.14 H new ATOM 0 HH12 ARG A 28 -1.777 15.411 7.528 1.00 42.14 H new ATOM 0 HH21 ARG A 28 -4.596 13.912 6.208 1.00 62.44 H new ATOM 0 HH22 ARG A 28 -3.934 15.289 7.095 1.00 62.44 H new ATOM 465 N GLU A 29 -3.545 12.140 1.288 1.00 34.54 N ATOM 466 CA GLU A 29 -5.028 12.143 1.191 1.00 54.22 C ATOM 467 C GLU A 29 -5.587 10.904 0.444 1.00 31.20 C ATOM 468 O GLU A 29 -6.611 10.333 0.845 1.00 72.33 O ATOM 469 CB GLU A 29 -5.495 13.452 0.501 1.00 14.22 C ATOM 470 CG GLU A 29 -5.037 14.748 1.207 1.00 4.14 C ATOM 471 CD GLU A 29 -5.464 14.815 2.685 1.00 25.04 C ATOM 472 OE1 GLU A 29 -6.668 15.028 2.953 1.00 71.35 O ATOM 473 OE2 GLU A 29 -4.611 14.642 3.588 1.00 72.03 O ATOM 0 H GLU A 29 -3.117 12.982 0.902 1.00 34.54 H new ATOM 0 HA GLU A 29 -5.424 12.093 2.205 1.00 54.22 H new ATOM 0 HB2 GLU A 29 -5.123 13.460 -0.523 1.00 14.22 H new ATOM 0 HB3 GLU A 29 -6.584 13.449 0.444 1.00 14.22 H new ATOM 0 HG2 GLU A 29 -3.951 14.824 1.145 1.00 4.14 H new ATOM 0 HG3 GLU A 29 -5.448 15.608 0.677 1.00 4.14 H new ATOM 480 N ARG A 30 -4.897 10.504 -0.641 1.00 53.03 N ATOM 481 CA ARG A 30 -5.184 9.248 -1.373 1.00 41.43 C ATOM 482 C ARG A 30 -5.015 8.018 -0.461 1.00 60.34 C ATOM 483 O ARG A 30 -5.887 7.143 -0.400 1.00 52.43 O ATOM 484 CB ARG A 30 -4.237 9.117 -2.605 1.00 31.34 C ATOM 485 CG ARG A 30 -4.638 9.916 -3.861 1.00 4.34 C ATOM 486 CD ARG A 30 -5.845 9.299 -4.591 1.00 73.52 C ATOM 487 NE ARG A 30 -7.108 9.439 -3.846 1.00 64.35 N ATOM 488 CZ ARG A 30 -8.099 8.573 -3.858 1.00 64.31 C ATOM 489 NH1 ARG A 30 -8.047 7.486 -4.567 1.00 31.34 N ATOM 490 NH2 ARG A 30 -9.149 8.804 -3.147 1.00 13.41 N ATOM 0 H ARG A 30 -4.125 11.040 -1.037 1.00 53.03 H new ATOM 0 HA ARG A 30 -6.220 9.288 -1.710 1.00 41.43 H new ATOM 0 HB2 ARG A 30 -3.238 9.431 -2.304 1.00 31.34 H new ATOM 0 HB3 ARG A 30 -4.171 8.063 -2.876 1.00 31.34 H new ATOM 0 HG2 ARG A 30 -4.875 10.941 -3.575 1.00 4.34 H new ATOM 0 HG3 ARG A 30 -3.790 9.963 -4.544 1.00 4.34 H new ATOM 0 HD2 ARG A 30 -5.952 9.773 -5.567 1.00 73.52 H new ATOM 0 HD3 ARG A 30 -5.651 8.241 -4.770 1.00 73.52 H new ATOM 0 HE ARG A 30 -7.224 10.276 -3.274 1.00 64.35 H new ATOM 0 HH11 ARG A 30 -7.223 7.286 -5.134 1.00 31.34 H new ATOM 0 HH12 ARG A 30 -8.830 6.833 -4.557 1.00 31.34 H new ATOM 0 HH21 ARG A 30 -9.206 9.651 -2.582 1.00 13.41 H new ATOM 0 HH22 ARG A 30 -9.923 8.139 -3.149 1.00 13.41 H new ATOM 504 N ILE A 31 -3.880 7.994 0.254 1.00 40.32 N ATOM 505 CA ILE A 31 -3.472 6.857 1.100 1.00 40.04 C ATOM 506 C ILE A 31 -4.440 6.662 2.292 1.00 0.24 C ATOM 507 O ILE A 31 -4.767 5.541 2.643 1.00 22.03 O ATOM 508 CB ILE A 31 -2.007 7.059 1.658 1.00 43.41 C ATOM 509 CG1 ILE A 31 -1.038 7.502 0.520 1.00 44.42 C ATOM 510 CG2 ILE A 31 -1.490 5.766 2.343 1.00 32.45 C ATOM 511 CD1 ILE A 31 0.355 7.908 0.958 1.00 14.11 C ATOM 0 H ILE A 31 -3.214 8.766 0.263 1.00 40.32 H new ATOM 0 HA ILE A 31 -3.501 5.969 0.469 1.00 40.04 H new ATOM 0 HB ILE A 31 -2.040 7.850 2.408 1.00 43.41 H new ATOM 0 HG12 ILE A 31 -0.949 6.684 -0.194 1.00 44.42 H new ATOM 0 HG13 ILE A 31 -1.490 8.340 -0.010 1.00 44.42 H new ATOM 0 HG21 ILE A 31 -0.480 5.932 2.718 1.00 32.45 H new ATOM 0 HG22 ILE A 31 -2.147 5.506 3.173 1.00 32.45 H new ATOM 0 HG23 ILE A 31 -1.479 4.951 1.620 1.00 32.45 H new ATOM 0 HD11 ILE A 31 0.941 8.196 0.085 1.00 14.11 H new ATOM 0 HD12 ILE A 31 0.289 8.751 1.646 1.00 14.11 H new ATOM 0 HD13 ILE A 31 0.838 7.069 1.458 1.00 14.11 H new ATOM 523 N GLU A 32 -4.900 7.783 2.883 1.00 3.14 N ATOM 524 CA GLU A 32 -5.743 7.784 4.104 1.00 75.14 C ATOM 525 C GLU A 32 -7.055 6.992 3.912 1.00 21.22 C ATOM 526 O GLU A 32 -7.349 6.053 4.674 1.00 32.12 O ATOM 527 CB GLU A 32 -6.052 9.247 4.542 1.00 34.33 C ATOM 528 CG GLU A 32 -4.825 10.059 5.007 1.00 41.02 C ATOM 529 CD GLU A 32 -4.160 9.510 6.286 1.00 31.14 C ATOM 530 OE1 GLU A 32 -3.306 8.604 6.197 1.00 34.22 O ATOM 531 OE2 GLU A 32 -4.483 9.993 7.388 1.00 2.13 O ATOM 0 H GLU A 32 -4.699 8.718 2.529 1.00 3.14 H new ATOM 0 HA GLU A 32 -5.178 7.282 4.889 1.00 75.14 H new ATOM 0 HB2 GLU A 32 -6.520 9.769 3.708 1.00 34.33 H new ATOM 0 HB3 GLU A 32 -6.781 9.222 5.352 1.00 34.33 H new ATOM 0 HG2 GLU A 32 -4.088 10.076 4.205 1.00 41.02 H new ATOM 0 HG3 GLU A 32 -5.130 11.091 5.182 1.00 41.02 H new ATOM 538 N LYS A 33 -7.817 7.372 2.875 1.00 43.42 N ATOM 539 CA LYS A 33 -9.119 6.756 2.572 1.00 65.34 C ATOM 540 C LYS A 33 -8.956 5.327 1.997 1.00 13.32 C ATOM 541 O LYS A 33 -9.663 4.398 2.412 1.00 5.12 O ATOM 542 CB LYS A 33 -9.915 7.661 1.594 1.00 11.50 C ATOM 543 CG LYS A 33 -11.341 7.150 1.281 1.00 21.50 C ATOM 544 CD LYS A 33 -12.162 8.142 0.427 1.00 65.44 C ATOM 545 CE LYS A 33 -13.596 7.645 0.176 1.00 31.45 C ATOM 546 NZ LYS A 33 -14.410 8.643 -0.560 1.00 55.13 N ATOM 0 H LYS A 33 -7.550 8.112 2.225 1.00 43.42 H new ATOM 0 HA LYS A 33 -9.678 6.663 3.503 1.00 65.34 H new ATOM 0 HB2 LYS A 33 -9.984 8.663 2.018 1.00 11.50 H new ATOM 0 HB3 LYS A 33 -9.358 7.747 0.661 1.00 11.50 H new ATOM 0 HG2 LYS A 33 -11.273 6.197 0.756 1.00 21.50 H new ATOM 0 HG3 LYS A 33 -11.867 6.962 2.217 1.00 21.50 H new ATOM 0 HD2 LYS A 33 -12.197 9.109 0.930 1.00 65.44 H new ATOM 0 HD3 LYS A 33 -11.661 8.297 -0.528 1.00 65.44 H new ATOM 0 HE2 LYS A 33 -13.563 6.715 -0.391 1.00 31.45 H new ATOM 0 HE3 LYS A 33 -14.074 7.420 1.130 1.00 31.45 H new ATOM 0 HZ1 LYS A 33 -15.369 8.268 -0.708 1.00 55.13 H new ATOM 0 HZ2 LYS A 33 -14.464 9.523 -0.008 1.00 55.13 H new ATOM 0 HZ3 LYS A 33 -13.969 8.839 -1.481 1.00 55.13 H new ATOM 560 N LEU A 34 -8.008 5.163 1.054 1.00 34.54 N ATOM 561 CA LEU A 34 -7.812 3.879 0.336 1.00 14.22 C ATOM 562 C LEU A 34 -7.258 2.762 1.256 1.00 60.44 C ATOM 563 O LEU A 34 -7.744 1.632 1.207 1.00 70.00 O ATOM 564 CB LEU A 34 -6.896 4.076 -0.896 1.00 4.12 C ATOM 565 CG LEU A 34 -6.731 2.829 -1.827 1.00 51.33 C ATOM 566 CD1 LEU A 34 -8.098 2.316 -2.355 1.00 54.23 C ATOM 567 CD2 LEU A 34 -5.768 3.142 -2.987 1.00 43.24 C ATOM 0 H LEU A 34 -7.364 5.901 0.769 1.00 34.54 H new ATOM 0 HA LEU A 34 -8.795 3.552 -0.003 1.00 14.22 H new ATOM 0 HB2 LEU A 34 -7.290 4.900 -1.490 1.00 4.12 H new ATOM 0 HB3 LEU A 34 -5.909 4.379 -0.547 1.00 4.12 H new ATOM 0 HG LEU A 34 -6.299 2.026 -1.229 1.00 51.33 H new ATOM 0 HD11 LEU A 34 -7.938 1.450 -2.997 1.00 54.23 H new ATOM 0 HD12 LEU A 34 -8.730 2.032 -1.513 1.00 54.23 H new ATOM 0 HD13 LEU A 34 -8.587 3.105 -2.926 1.00 54.23 H new ATOM 0 HD21 LEU A 34 -5.666 2.263 -3.623 1.00 43.24 H new ATOM 0 HD22 LEU A 34 -6.163 3.971 -3.574 1.00 43.24 H new ATOM 0 HD23 LEU A 34 -4.792 3.414 -2.586 1.00 43.24 H new ATOM 579 N ALA A 35 -6.245 3.093 2.087 1.00 14.22 N ATOM 580 CA ALA A 35 -5.652 2.136 3.064 1.00 34.33 C ATOM 581 C ALA A 35 -6.710 1.611 4.054 1.00 5.23 C ATOM 582 O ALA A 35 -6.757 0.413 4.335 1.00 33.21 O ATOM 583 CB ALA A 35 -4.479 2.777 3.837 1.00 24.44 C ATOM 0 H ALA A 35 -5.816 4.018 2.105 1.00 14.22 H new ATOM 0 HA ALA A 35 -5.270 1.292 2.490 1.00 34.33 H new ATOM 0 HB1 ALA A 35 -4.069 2.053 4.541 1.00 24.44 H new ATOM 0 HB2 ALA A 35 -3.703 3.080 3.134 1.00 24.44 H new ATOM 0 HB3 ALA A 35 -4.837 3.651 4.382 1.00 24.44 H new ATOM 589 N LYS A 36 -7.565 2.531 4.547 1.00 41.21 N ATOM 590 CA LYS A 36 -8.702 2.201 5.440 1.00 22.11 C ATOM 591 C LYS A 36 -9.685 1.238 4.723 1.00 51.05 C ATOM 592 O LYS A 36 -10.148 0.256 5.318 1.00 15.10 O ATOM 593 CB LYS A 36 -9.404 3.531 5.887 1.00 1.01 C ATOM 594 CG LYS A 36 -10.398 3.424 7.087 1.00 41.22 C ATOM 595 CD LYS A 36 -11.783 2.860 6.710 1.00 0.42 C ATOM 596 CE LYS A 36 -12.718 2.692 7.916 1.00 50.35 C ATOM 597 NZ LYS A 36 -14.010 2.078 7.517 1.00 43.12 N ATOM 0 H LYS A 36 -7.489 3.526 4.338 1.00 41.21 H new ATOM 0 HA LYS A 36 -8.343 1.687 6.331 1.00 22.11 H new ATOM 0 HB2 LYS A 36 -8.631 4.254 6.147 1.00 1.01 H new ATOM 0 HB3 LYS A 36 -9.944 3.936 5.031 1.00 1.01 H new ATOM 0 HG2 LYS A 36 -9.956 2.789 7.855 1.00 41.22 H new ATOM 0 HG3 LYS A 36 -10.528 4.413 7.526 1.00 41.22 H new ATOM 0 HD2 LYS A 36 -12.253 3.524 5.984 1.00 0.42 H new ATOM 0 HD3 LYS A 36 -11.654 1.894 6.222 1.00 0.42 H new ATOM 0 HE2 LYS A 36 -12.235 2.070 8.669 1.00 50.35 H new ATOM 0 HE3 LYS A 36 -12.901 3.664 8.375 1.00 50.35 H new ATOM 0 HZ1 LYS A 36 -14.745 2.337 8.206 1.00 43.12 H new ATOM 0 HZ2 LYS A 36 -14.282 2.423 6.575 1.00 43.12 H new ATOM 0 HZ3 LYS A 36 -13.909 1.043 7.491 1.00 43.12 H new ATOM 611 N ASP A 37 -9.975 1.532 3.441 1.00 12.50 N ATOM 612 CA ASP A 37 -10.915 0.733 2.622 1.00 22.51 C ATOM 613 C ASP A 37 -10.379 -0.706 2.370 1.00 75.11 C ATOM 614 O ASP A 37 -11.162 -1.664 2.332 1.00 30.24 O ATOM 615 CB ASP A 37 -11.208 1.467 1.289 1.00 32.52 C ATOM 616 CG ASP A 37 -12.393 0.853 0.524 1.00 41.41 C ATOM 617 OD1 ASP A 37 -13.552 1.058 0.953 1.00 35.45 O ATOM 618 OD2 ASP A 37 -12.184 0.177 -0.504 1.00 52.54 O ATOM 0 H ASP A 37 -9.569 2.324 2.944 1.00 12.50 H new ATOM 0 HA ASP A 37 -11.848 0.629 3.176 1.00 22.51 H new ATOM 0 HB2 ASP A 37 -11.418 2.517 1.495 1.00 32.52 H new ATOM 0 HB3 ASP A 37 -10.319 1.437 0.659 1.00 32.52 H new ATOM 623 N VAL A 38 -9.040 -0.839 2.210 1.00 31.53 N ATOM 624 CA VAL A 38 -8.366 -2.157 2.110 1.00 60.32 C ATOM 625 C VAL A 38 -8.583 -2.979 3.402 1.00 25.03 C ATOM 626 O VAL A 38 -8.821 -4.170 3.330 1.00 44.53 O ATOM 627 CB VAL A 38 -6.808 -2.038 1.825 1.00 34.12 C ATOM 628 CG1 VAL A 38 -6.130 -3.437 1.766 1.00 1.42 C ATOM 629 CG2 VAL A 38 -6.523 -1.246 0.522 1.00 72.54 C ATOM 0 H VAL A 38 -8.402 -0.045 2.147 1.00 31.53 H new ATOM 0 HA VAL A 38 -8.820 -2.665 1.259 1.00 60.32 H new ATOM 0 HB VAL A 38 -6.377 -1.484 2.659 1.00 34.12 H new ATOM 0 HG11 VAL A 38 -5.065 -3.317 1.569 1.00 1.42 H new ATOM 0 HG12 VAL A 38 -6.268 -3.949 2.719 1.00 1.42 H new ATOM 0 HG13 VAL A 38 -6.582 -4.027 0.969 1.00 1.42 H new ATOM 0 HG21 VAL A 38 -5.447 -1.186 0.361 1.00 72.54 H new ATOM 0 HG22 VAL A 38 -6.988 -1.755 -0.322 1.00 72.54 H new ATOM 0 HG23 VAL A 38 -6.933 -0.240 0.610 1.00 72.54 H new ATOM 639 N LYS A 39 -8.516 -2.302 4.567 1.00 44.25 N ATOM 640 CA LYS A 39 -8.674 -2.939 5.903 1.00 72.25 C ATOM 641 C LYS A 39 -10.104 -3.500 6.126 1.00 63.33 C ATOM 642 O LYS A 39 -10.272 -4.536 6.787 1.00 22.05 O ATOM 643 CB LYS A 39 -8.311 -1.922 7.012 1.00 44.14 C ATOM 644 CG LYS A 39 -6.861 -1.398 6.911 1.00 30.51 C ATOM 645 CD LYS A 39 -6.554 -0.265 7.908 1.00 10.53 C ATOM 646 CE LYS A 39 -5.116 0.257 7.767 1.00 23.32 C ATOM 647 NZ LYS A 39 -4.818 1.312 8.764 1.00 64.23 N ATOM 0 H LYS A 39 -8.351 -1.297 4.614 1.00 44.25 H new ATOM 0 HA LYS A 39 -7.992 -3.788 5.947 1.00 72.25 H new ATOM 0 HB2 LYS A 39 -8.999 -1.078 6.961 1.00 44.14 H new ATOM 0 HB3 LYS A 39 -8.453 -2.391 7.986 1.00 44.14 H new ATOM 0 HG2 LYS A 39 -6.170 -2.223 7.085 1.00 30.51 H new ATOM 0 HG3 LYS A 39 -6.681 -1.040 5.897 1.00 30.51 H new ATOM 0 HD2 LYS A 39 -7.254 0.556 7.750 1.00 10.53 H new ATOM 0 HD3 LYS A 39 -6.710 -0.626 8.925 1.00 10.53 H new ATOM 0 HE2 LYS A 39 -4.415 -0.569 7.890 1.00 23.32 H new ATOM 0 HE3 LYS A 39 -4.969 0.653 6.762 1.00 23.32 H new ATOM 0 HZ1 LYS A 39 -3.839 1.641 8.639 1.00 64.23 H new ATOM 0 HZ2 LYS A 39 -5.471 2.110 8.631 1.00 64.23 H new ATOM 0 HZ3 LYS A 39 -4.934 0.926 9.723 1.00 64.23 H new ATOM 661 N ASP A 40 -11.121 -2.811 5.572 1.00 25.23 N ATOM 662 CA ASP A 40 -12.523 -3.297 5.584 1.00 51.21 C ATOM 663 C ASP A 40 -12.655 -4.609 4.762 1.00 41.24 C ATOM 664 O ASP A 40 -13.240 -5.599 5.217 1.00 42.34 O ATOM 665 CB ASP A 40 -13.474 -2.214 5.017 1.00 74.42 C ATOM 666 CG ASP A 40 -13.433 -0.894 5.806 1.00 63.33 C ATOM 667 OD1 ASP A 40 -13.655 -0.910 7.035 1.00 52.53 O ATOM 668 OD2 ASP A 40 -13.202 0.172 5.203 1.00 73.20 O ATOM 0 H ASP A 40 -11.001 -1.911 5.107 1.00 25.23 H new ATOM 0 HA ASP A 40 -12.804 -3.505 6.616 1.00 51.21 H new ATOM 0 HB2 ASP A 40 -13.210 -2.016 3.978 1.00 74.42 H new ATOM 0 HB3 ASP A 40 -14.494 -2.599 5.019 1.00 74.42 H new ATOM 673 N GLU A 41 -12.076 -4.578 3.548 1.00 32.33 N ATOM 674 CA GLU A 41 -11.993 -5.741 2.626 1.00 42.43 C ATOM 675 C GLU A 41 -11.130 -6.892 3.206 1.00 52.05 C ATOM 676 O GLU A 41 -11.406 -8.077 2.975 1.00 1.24 O ATOM 677 CB GLU A 41 -11.384 -5.262 1.281 1.00 62.24 C ATOM 678 CG GLU A 41 -12.233 -4.225 0.517 1.00 72.24 C ATOM 679 CD GLU A 41 -13.494 -4.832 -0.114 1.00 50.12 C ATOM 680 OE1 GLU A 41 -13.358 -5.566 -1.113 1.00 53.35 O ATOM 681 OE2 GLU A 41 -14.614 -4.583 0.372 1.00 23.44 O ATOM 0 H GLU A 41 -11.644 -3.735 3.168 1.00 32.33 H new ATOM 0 HA GLU A 41 -12.999 -6.134 2.482 1.00 42.43 H new ATOM 0 HB2 GLU A 41 -10.401 -4.833 1.476 1.00 62.24 H new ATOM 0 HB3 GLU A 41 -11.231 -6.129 0.639 1.00 62.24 H new ATOM 0 HG2 GLU A 41 -12.523 -3.427 1.200 1.00 72.24 H new ATOM 0 HG3 GLU A 41 -11.625 -3.770 -0.265 1.00 72.24 H new ATOM 688 N LEU A 42 -10.094 -6.507 3.967 1.00 3.11 N ATOM 689 CA LEU A 42 -9.111 -7.422 4.563 1.00 71.41 C ATOM 690 C LEU A 42 -9.772 -8.262 5.680 1.00 63.43 C ATOM 691 O LEU A 42 -9.468 -9.446 5.847 1.00 54.34 O ATOM 692 CB LEU A 42 -7.928 -6.586 5.130 1.00 41.55 C ATOM 693 CG LEU A 42 -6.627 -7.368 5.434 1.00 1.35 C ATOM 694 CD1 LEU A 42 -5.974 -7.885 4.133 1.00 33.11 C ATOM 695 CD2 LEU A 42 -5.626 -6.532 6.263 1.00 42.23 C ATOM 0 H LEU A 42 -9.913 -5.528 4.190 1.00 3.11 H new ATOM 0 HA LEU A 42 -8.737 -8.109 3.804 1.00 71.41 H new ATOM 0 HB2 LEU A 42 -7.694 -5.795 4.418 1.00 41.55 H new ATOM 0 HB3 LEU A 42 -8.259 -6.101 6.048 1.00 41.55 H new ATOM 0 HG LEU A 42 -6.905 -8.229 6.042 1.00 1.35 H new ATOM 0 HD11 LEU A 42 -5.062 -8.431 4.376 1.00 33.11 H new ATOM 0 HD12 LEU A 42 -6.668 -8.549 3.617 1.00 33.11 H new ATOM 0 HD13 LEU A 42 -5.731 -7.041 3.488 1.00 33.11 H new ATOM 0 HD21 LEU A 42 -4.729 -7.121 6.452 1.00 42.23 H new ATOM 0 HD22 LEU A 42 -5.359 -5.631 5.710 1.00 42.23 H new ATOM 0 HD23 LEU A 42 -6.083 -6.253 7.212 1.00 42.23 H new ATOM 707 N GLU A 43 -10.691 -7.605 6.423 1.00 33.12 N ATOM 708 CA GLU A 43 -11.492 -8.236 7.495 1.00 63.44 C ATOM 709 C GLU A 43 -12.504 -9.254 6.917 1.00 75.50 C ATOM 710 O GLU A 43 -12.747 -10.307 7.517 1.00 55.12 O ATOM 711 CB GLU A 43 -12.245 -7.143 8.304 1.00 71.41 C ATOM 712 CG GLU A 43 -13.043 -7.676 9.517 1.00 31.04 C ATOM 713 CD GLU A 43 -13.823 -6.578 10.260 1.00 44.23 C ATOM 714 OE1 GLU A 43 -13.180 -5.701 10.877 1.00 74.00 O ATOM 715 OE2 GLU A 43 -15.076 -6.600 10.257 1.00 0.14 O ATOM 0 H GLU A 43 -10.899 -6.615 6.294 1.00 33.12 H new ATOM 0 HA GLU A 43 -10.811 -8.774 8.154 1.00 63.44 H new ATOM 0 HB2 GLU A 43 -11.522 -6.407 8.656 1.00 71.41 H new ATOM 0 HB3 GLU A 43 -12.930 -6.622 7.635 1.00 71.41 H new ATOM 0 HG2 GLU A 43 -13.741 -8.441 9.177 1.00 31.04 H new ATOM 0 HG3 GLU A 43 -12.356 -8.158 10.212 1.00 31.04 H new ATOM 756 N ALA A 47 -8.284 -9.555 -0.235 1.00 55.24 N ATOM 757 CA ALA A 47 -7.841 -8.171 -0.481 1.00 72.04 C ATOM 758 C ALA A 47 -6.771 -8.136 -1.591 1.00 65.31 C ATOM 759 O ALA A 47 -6.174 -7.106 -1.802 1.00 73.21 O ATOM 760 CB ALA A 47 -7.314 -7.542 0.821 1.00 50.12 C ATOM 0 HA ALA A 47 -8.693 -7.583 -0.821 1.00 72.04 H new ATOM 0 HB1 ALA A 47 -6.990 -6.520 0.626 1.00 50.12 H new ATOM 0 HB2 ALA A 47 -8.107 -7.535 1.569 1.00 50.12 H new ATOM 0 HB3 ALA A 47 -6.471 -8.125 1.192 1.00 50.12 H new ATOM 766 N LYS A 48 -6.570 -9.270 -2.313 1.00 12.43 N ATOM 767 CA LYS A 48 -5.560 -9.393 -3.408 1.00 41.31 C ATOM 768 C LYS A 48 -5.721 -8.266 -4.467 1.00 3.55 C ATOM 769 O LYS A 48 -4.757 -7.561 -4.787 1.00 2.22 O ATOM 770 CB LYS A 48 -5.681 -10.791 -4.084 1.00 51.21 C ATOM 771 CG LYS A 48 -4.751 -11.022 -5.306 1.00 74.12 C ATOM 772 CD LYS A 48 -5.068 -12.341 -6.055 1.00 31.32 C ATOM 773 CE LYS A 48 -4.433 -12.390 -7.455 1.00 1.35 C ATOM 774 NZ LYS A 48 -4.995 -11.352 -8.364 1.00 12.34 N ATOM 0 H LYS A 48 -7.101 -10.126 -2.155 1.00 12.43 H new ATOM 0 HA LYS A 48 -4.569 -9.288 -2.966 1.00 41.31 H new ATOM 0 HB2 LYS A 48 -5.469 -11.556 -3.338 1.00 51.21 H new ATOM 0 HB3 LYS A 48 -6.714 -10.934 -4.402 1.00 51.21 H new ATOM 0 HG2 LYS A 48 -4.849 -10.184 -5.996 1.00 74.12 H new ATOM 0 HG3 LYS A 48 -3.714 -11.039 -4.971 1.00 74.12 H new ATOM 0 HD2 LYS A 48 -4.708 -13.185 -5.466 1.00 31.32 H new ATOM 0 HD3 LYS A 48 -6.148 -12.453 -6.145 1.00 31.32 H new ATOM 0 HE2 LYS A 48 -3.355 -12.250 -7.369 1.00 1.35 H new ATOM 0 HE3 LYS A 48 -4.592 -13.377 -7.890 1.00 1.35 H new ATOM 0 HZ1 LYS A 48 -4.695 -11.547 -9.341 1.00 12.34 H new ATOM 0 HZ2 LYS A 48 -6.033 -11.369 -8.311 1.00 12.34 H new ATOM 0 HZ3 LYS A 48 -4.649 -10.414 -8.076 1.00 12.34 H new ATOM 788 N ASN A 49 -6.966 -8.099 -4.964 1.00 31.23 N ATOM 789 CA ASN A 49 -7.351 -6.990 -5.872 1.00 23.11 C ATOM 790 C ASN A 49 -7.093 -5.608 -5.221 1.00 24.31 C ATOM 791 O ASN A 49 -6.608 -4.701 -5.877 1.00 31.32 O ATOM 792 CB ASN A 49 -8.851 -7.126 -6.269 1.00 74.41 C ATOM 793 CG ASN A 49 -9.363 -5.991 -7.175 1.00 3.15 C ATOM 794 OD1 ASN A 49 -9.872 -4.981 -6.702 1.00 20.11 O ATOM 795 ND2 ASN A 49 -9.234 -6.145 -8.478 1.00 2.11 N ATOM 0 H ASN A 49 -7.737 -8.731 -4.747 1.00 31.23 H new ATOM 0 HA ASN A 49 -6.732 -7.056 -6.767 1.00 23.11 H new ATOM 0 HB2 ASN A 49 -8.997 -8.078 -6.779 1.00 74.41 H new ATOM 0 HB3 ASN A 49 -9.455 -7.154 -5.362 1.00 74.41 H new ATOM 0 HD21 ASN A 49 -9.561 -5.416 -9.112 1.00 2.11 H new ATOM 0 HD22 ASN A 49 -8.808 -6.993 -8.852 1.00 2.11 H new ATOM 802 N MET A 50 -7.422 -5.490 -3.920 1.00 13.44 N ATOM 803 CA MET A 50 -7.243 -4.244 -3.128 1.00 72.24 C ATOM 804 C MET A 50 -5.758 -3.871 -2.904 1.00 21.42 C ATOM 805 O MET A 50 -5.438 -2.696 -2.755 1.00 42.13 O ATOM 806 CB MET A 50 -7.969 -4.381 -1.769 1.00 62.20 C ATOM 807 CG MET A 50 -9.487 -4.477 -1.898 1.00 61.25 C ATOM 808 SD MET A 50 -10.203 -2.982 -2.625 1.00 41.51 S ATOM 809 CE MET A 50 -9.686 -1.744 -1.438 1.00 10.42 C ATOM 0 H MET A 50 -7.822 -6.257 -3.380 1.00 13.44 H new ATOM 0 HA MET A 50 -7.681 -3.433 -3.709 1.00 72.24 H new ATOM 0 HB2 MET A 50 -7.599 -5.269 -1.256 1.00 62.20 H new ATOM 0 HB3 MET A 50 -7.719 -3.524 -1.144 1.00 62.20 H new ATOM 0 HG2 MET A 50 -9.744 -5.339 -2.514 1.00 61.25 H new ATOM 0 HG3 MET A 50 -9.924 -4.647 -0.914 1.00 61.25 H new ATOM 0 HE1 MET A 50 -10.235 -0.819 -1.615 1.00 10.42 H new ATOM 0 HE2 MET A 50 -9.891 -2.100 -0.428 1.00 10.42 H new ATOM 0 HE3 MET A 50 -8.618 -1.559 -1.548 1.00 10.42 H new ATOM 819 N ILE A 51 -4.874 -4.878 -2.866 1.00 40.34 N ATOM 820 CA ILE A 51 -3.412 -4.676 -2.740 1.00 71.51 C ATOM 821 C ILE A 51 -2.849 -4.157 -4.089 1.00 50.13 C ATOM 822 O ILE A 51 -2.009 -3.260 -4.118 1.00 63.14 O ATOM 823 CB ILE A 51 -2.687 -6.015 -2.307 1.00 2.13 C ATOM 824 CG1 ILE A 51 -3.248 -6.543 -0.945 1.00 34.14 C ATOM 825 CG2 ILE A 51 -1.149 -5.841 -2.214 1.00 53.44 C ATOM 826 CD1 ILE A 51 -2.774 -7.937 -0.563 1.00 50.14 C ATOM 0 H ILE A 51 -5.147 -5.859 -2.921 1.00 40.34 H new ATOM 0 HA ILE A 51 -3.222 -3.936 -1.962 1.00 71.51 H new ATOM 0 HB ILE A 51 -2.895 -6.750 -3.085 1.00 2.13 H new ATOM 0 HG12 ILE A 51 -2.963 -5.848 -0.156 1.00 34.14 H new ATOM 0 HG13 ILE A 51 -4.337 -6.544 -0.991 1.00 34.14 H new ATOM 0 HG21 ILE A 51 -0.694 -6.785 -1.914 1.00 53.44 H new ATOM 0 HG22 ILE A 51 -0.757 -5.542 -3.186 1.00 53.44 H new ATOM 0 HG23 ILE A 51 -0.914 -5.074 -1.476 1.00 53.44 H new ATOM 0 HD11 ILE A 51 -3.212 -8.221 0.394 1.00 50.14 H new ATOM 0 HD12 ILE A 51 -3.082 -8.649 -1.329 1.00 50.14 H new ATOM 0 HD13 ILE A 51 -1.687 -7.942 -0.480 1.00 50.14 H new ATOM 838 N GLU A 52 -3.364 -4.728 -5.197 1.00 12.41 N ATOM 839 CA GLU A 52 -3.041 -4.300 -6.583 1.00 61.25 C ATOM 840 C GLU A 52 -3.618 -2.887 -6.901 1.00 22.25 C ATOM 841 O GLU A 52 -3.002 -2.098 -7.632 1.00 73.33 O ATOM 842 CB GLU A 52 -3.590 -5.352 -7.590 1.00 41.23 C ATOM 843 CG GLU A 52 -2.987 -6.768 -7.411 1.00 5.11 C ATOM 844 CD GLU A 52 -3.591 -7.835 -8.344 1.00 4.24 C ATOM 845 OE1 GLU A 52 -3.078 -8.017 -9.474 1.00 4.44 O ATOM 846 OE2 GLU A 52 -4.572 -8.501 -7.948 1.00 44.14 O ATOM 0 H GLU A 52 -4.022 -5.506 -5.160 1.00 12.41 H new ATOM 0 HA GLU A 52 -1.957 -4.234 -6.677 1.00 61.25 H new ATOM 0 HB2 GLU A 52 -4.673 -5.413 -7.482 1.00 41.23 H new ATOM 0 HB3 GLU A 52 -3.389 -5.008 -8.605 1.00 41.23 H new ATOM 0 HG2 GLU A 52 -1.912 -6.717 -7.584 1.00 5.11 H new ATOM 0 HG3 GLU A 52 -3.129 -7.083 -6.377 1.00 5.11 H new ATOM 853 N LYS A 53 -4.797 -2.587 -6.323 1.00 71.24 N ATOM 854 CA LYS A 53 -5.474 -1.267 -6.466 1.00 44.42 C ATOM 855 C LYS A 53 -4.757 -0.191 -5.634 1.00 33.44 C ATOM 856 O LYS A 53 -4.613 0.959 -6.074 1.00 14.15 O ATOM 857 CB LYS A 53 -6.978 -1.364 -6.050 1.00 60.31 C ATOM 858 CG LYS A 53 -7.898 -2.026 -7.105 1.00 30.23 C ATOM 859 CD LYS A 53 -7.965 -1.208 -8.417 1.00 5.13 C ATOM 860 CE LYS A 53 -8.920 -1.815 -9.459 1.00 10.24 C ATOM 861 NZ LYS A 53 -9.066 -0.934 -10.652 1.00 40.53 N ATOM 0 H LYS A 53 -5.314 -3.247 -5.742 1.00 71.24 H new ATOM 0 HA LYS A 53 -5.426 -0.979 -7.516 1.00 44.42 H new ATOM 0 HB2 LYS A 53 -7.048 -1.929 -5.120 1.00 60.31 H new ATOM 0 HB3 LYS A 53 -7.349 -0.360 -5.842 1.00 60.31 H new ATOM 0 HG2 LYS A 53 -7.534 -3.030 -7.323 1.00 30.23 H new ATOM 0 HG3 LYS A 53 -8.902 -2.133 -6.694 1.00 30.23 H new ATOM 0 HD2 LYS A 53 -8.285 -0.191 -8.188 1.00 5.13 H new ATOM 0 HD3 LYS A 53 -6.965 -1.138 -8.846 1.00 5.13 H new ATOM 0 HE2 LYS A 53 -8.546 -2.790 -9.770 1.00 10.24 H new ATOM 0 HE3 LYS A 53 -9.898 -1.978 -9.005 1.00 10.24 H new ATOM 0 HZ1 LYS A 53 -9.717 -1.376 -11.332 1.00 40.53 H new ATOM 0 HZ2 LYS A 53 -9.446 -0.012 -10.358 1.00 40.53 H new ATOM 0 HZ3 LYS A 53 -8.137 -0.799 -11.099 1.00 40.53 H new ATOM 875 N PHE A 54 -4.313 -0.588 -4.428 1.00 10.12 N ATOM 876 CA PHE A 54 -3.516 0.277 -3.549 1.00 4.34 C ATOM 877 C PHE A 54 -2.163 0.588 -4.208 1.00 3.45 C ATOM 878 O PHE A 54 -1.683 1.711 -4.134 1.00 12.33 O ATOM 879 CB PHE A 54 -3.308 -0.369 -2.145 1.00 40.13 C ATOM 880 CG PHE A 54 -2.638 0.584 -1.142 1.00 40.42 C ATOM 881 CD1 PHE A 54 -3.400 1.532 -0.455 1.00 22.11 C ATOM 882 CD2 PHE A 54 -1.254 0.570 -0.929 1.00 12.52 C ATOM 883 CE1 PHE A 54 -2.806 2.426 0.411 1.00 21.23 C ATOM 884 CE2 PHE A 54 -0.662 1.474 -0.071 1.00 53.23 C ATOM 885 CZ PHE A 54 -1.437 2.398 0.601 1.00 33.55 C ATOM 0 H PHE A 54 -4.497 -1.513 -4.040 1.00 10.12 H new ATOM 0 HA PHE A 54 -4.063 1.208 -3.401 1.00 4.34 H new ATOM 0 HB2 PHE A 54 -4.273 -0.685 -1.749 1.00 40.13 H new ATOM 0 HB3 PHE A 54 -2.697 -1.266 -2.250 1.00 40.13 H new ATOM 0 HD1 PHE A 54 -4.469 1.565 -0.604 1.00 22.11 H new ATOM 0 HD2 PHE A 54 -0.643 -0.157 -1.443 1.00 12.52 H new ATOM 0 HE1 PHE A 54 -3.410 3.148 0.941 1.00 21.23 H new ATOM 0 HE2 PHE A 54 0.408 1.459 0.075 1.00 53.23 H new ATOM 0 HZ PHE A 54 -0.973 3.101 1.277 1.00 33.55 H new ATOM 895 N ARG A 55 -1.589 -0.436 -4.862 1.00 72.44 N ATOM 896 CA ARG A 55 -0.286 -0.355 -5.547 1.00 62.10 C ATOM 897 C ARG A 55 -0.328 0.654 -6.718 1.00 1.43 C ATOM 898 O ARG A 55 0.620 1.416 -6.914 1.00 51.14 O ATOM 899 CB ARG A 55 0.117 -1.779 -6.053 1.00 71.22 C ATOM 900 CG ARG A 55 1.605 -1.957 -6.468 1.00 30.04 C ATOM 901 CD ARG A 55 1.943 -1.454 -7.881 1.00 23.33 C ATOM 902 NE ARG A 55 3.387 -1.497 -8.128 1.00 25.45 N ATOM 903 CZ ARG A 55 3.995 -0.966 -9.159 1.00 42.02 C ATOM 904 NH1 ARG A 55 3.335 -0.374 -10.100 1.00 13.40 N ATOM 905 NH2 ARG A 55 5.282 -1.050 -9.250 1.00 45.24 N ATOM 0 H ARG A 55 -2.023 -1.357 -4.931 1.00 72.44 H new ATOM 0 HA ARG A 55 0.463 0.004 -4.841 1.00 62.10 H new ATOM 0 HB2 ARG A 55 -0.110 -2.500 -5.268 1.00 71.22 H new ATOM 0 HB3 ARG A 55 -0.511 -2.031 -6.908 1.00 71.22 H new ATOM 0 HG2 ARG A 55 2.234 -1.431 -5.750 1.00 30.04 H new ATOM 0 HG3 ARG A 55 1.862 -3.014 -6.402 1.00 30.04 H new ATOM 0 HD2 ARG A 55 1.427 -2.066 -8.621 1.00 23.33 H new ATOM 0 HD3 ARG A 55 1.581 -0.433 -8.003 1.00 23.33 H new ATOM 0 HE ARG A 55 3.966 -1.980 -7.441 1.00 25.45 H new ATOM 0 HH11 ARG A 55 2.318 -0.313 -10.049 1.00 13.40 H new ATOM 0 HH12 ARG A 55 3.831 0.032 -10.893 1.00 13.40 H new ATOM 0 HH21 ARG A 55 5.815 -1.527 -8.522 1.00 45.24 H new ATOM 0 HH22 ARG A 55 5.765 -0.640 -10.049 1.00 45.24 H new ATOM 919 N ASP A 56 -1.419 0.617 -7.503 1.00 30.34 N ATOM 920 CA ASP A 56 -1.583 1.476 -8.696 1.00 31.03 C ATOM 921 C ASP A 56 -1.592 2.979 -8.301 1.00 12.35 C ATOM 922 O ASP A 56 -0.879 3.798 -8.898 1.00 61.01 O ATOM 923 CB ASP A 56 -2.883 1.080 -9.446 1.00 72.32 C ATOM 924 CG ASP A 56 -2.958 1.680 -10.856 1.00 72.41 C ATOM 925 OD1 ASP A 56 -2.243 1.185 -11.753 1.00 1.02 O ATOM 926 OD2 ASP A 56 -3.719 2.638 -11.082 1.00 63.04 O ATOM 0 H ASP A 56 -2.210 -0.004 -7.332 1.00 30.34 H new ATOM 0 HA ASP A 56 -0.735 1.324 -9.364 1.00 31.03 H new ATOM 0 HB2 ASP A 56 -2.942 -0.006 -9.514 1.00 72.32 H new ATOM 0 HB3 ASP A 56 -3.746 1.411 -8.868 1.00 72.32 H new ATOM 931 N GLU A 57 -2.385 3.307 -7.266 1.00 73.51 N ATOM 932 CA GLU A 57 -2.432 4.668 -6.680 1.00 64.32 C ATOM 933 C GLU A 57 -1.089 5.042 -6.010 1.00 41.22 C ATOM 934 O GLU A 57 -0.628 6.179 -6.122 1.00 61.13 O ATOM 935 CB GLU A 57 -3.587 4.761 -5.648 1.00 10.14 C ATOM 936 CG GLU A 57 -4.997 4.544 -6.240 1.00 1.11 C ATOM 937 CD GLU A 57 -5.446 5.659 -7.204 1.00 65.11 C ATOM 938 OE1 GLU A 57 -6.026 6.664 -6.736 1.00 14.01 O ATOM 939 OE2 GLU A 57 -5.225 5.539 -8.426 1.00 64.24 O ATOM 0 H GLU A 57 -3.011 2.643 -6.810 1.00 73.51 H new ATOM 0 HA GLU A 57 -2.611 5.377 -7.489 1.00 64.32 H new ATOM 0 HB2 GLU A 57 -3.418 4.021 -4.866 1.00 10.14 H new ATOM 0 HB3 GLU A 57 -3.554 5.741 -5.172 1.00 10.14 H new ATOM 0 HG2 GLU A 57 -5.016 3.591 -6.768 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -5.716 4.471 -5.424 1.00 1.11 H new ATOM 946 N MET A 58 -0.487 4.067 -5.293 1.00 33.03 N ATOM 947 CA MET A 58 0.825 4.222 -4.619 1.00 73.14 C ATOM 948 C MET A 58 1.946 4.617 -5.609 1.00 4.22 C ATOM 949 O MET A 58 2.801 5.453 -5.291 1.00 31.41 O ATOM 950 CB MET A 58 1.181 2.915 -3.865 1.00 61.21 C ATOM 951 CG MET A 58 2.490 2.980 -3.086 1.00 54.22 C ATOM 952 SD MET A 58 2.548 4.410 -1.993 1.00 65.45 S ATOM 953 CE MET A 58 4.244 4.349 -1.446 1.00 0.03 C ATOM 0 H MET A 58 -0.900 3.143 -5.164 1.00 33.03 H new ATOM 0 HA MET A 58 0.743 5.039 -3.902 1.00 73.14 H new ATOM 0 HB2 MET A 58 0.372 2.675 -3.175 1.00 61.21 H new ATOM 0 HB3 MET A 58 1.239 2.098 -4.584 1.00 61.21 H new ATOM 0 HG2 MET A 58 2.609 2.069 -2.499 1.00 54.22 H new ATOM 0 HG3 MET A 58 3.326 3.022 -3.784 1.00 54.22 H new ATOM 0 HE1 MET A 58 4.385 5.046 -0.620 1.00 0.03 H new ATOM 0 HE2 MET A 58 4.483 3.339 -1.114 1.00 0.03 H new ATOM 0 HE3 MET A 58 4.902 4.625 -2.270 1.00 0.03 H new ATOM 963 N GLU A 59 1.905 4.024 -6.814 1.00 31.31 N ATOM 964 CA GLU A 59 2.844 4.350 -7.903 1.00 53.44 C ATOM 965 C GLU A 59 2.611 5.785 -8.426 1.00 73.11 C ATOM 966 O GLU A 59 3.564 6.474 -8.779 1.00 52.01 O ATOM 967 CB GLU A 59 2.721 3.330 -9.068 1.00 33.01 C ATOM 968 CG GLU A 59 3.694 3.608 -10.242 1.00 32.53 C ATOM 969 CD GLU A 59 3.600 2.592 -11.386 1.00 63.10 C ATOM 970 OE1 GLU A 59 2.588 2.600 -12.117 1.00 44.24 O ATOM 971 OE2 GLU A 59 4.524 1.769 -11.552 1.00 13.23 O ATOM 0 H GLU A 59 1.223 3.307 -7.061 1.00 31.31 H new ATOM 0 HA GLU A 59 3.853 4.291 -7.496 1.00 53.44 H new ATOM 0 HB2 GLU A 59 2.907 2.327 -8.683 1.00 33.01 H new ATOM 0 HB3 GLU A 59 1.698 3.343 -9.444 1.00 33.01 H new ATOM 0 HG2 GLU A 59 3.494 4.604 -10.637 1.00 32.53 H new ATOM 0 HG3 GLU A 59 4.715 3.616 -9.860 1.00 32.53 H new ATOM 978 N GLN A 60 1.334 6.216 -8.460 1.00 74.23 N ATOM 979 CA GLN A 60 0.945 7.570 -8.923 1.00 73.10 C ATOM 980 C GLN A 60 1.442 8.672 -7.945 1.00 44.40 C ATOM 981 O GLN A 60 1.907 9.735 -8.373 1.00 10.22 O ATOM 982 CB GLN A 60 -0.600 7.666 -9.082 1.00 25.44 C ATOM 983 CG GLN A 60 -1.101 8.894 -9.890 1.00 34.21 C ATOM 984 CD GLN A 60 -0.937 8.754 -11.417 1.00 64.52 C ATOM 985 OE1 GLN A 60 -0.063 8.061 -11.918 1.00 64.33 O ATOM 986 NE2 GLN A 60 -1.788 9.413 -12.173 1.00 12.45 N ATOM 0 H GLN A 60 0.544 5.640 -8.169 1.00 74.23 H new ATOM 0 HA GLN A 60 1.419 7.735 -9.891 1.00 73.10 H new ATOM 0 HB2 GLN A 60 -0.957 6.759 -9.569 1.00 25.44 H new ATOM 0 HB3 GLN A 60 -1.051 7.694 -8.090 1.00 25.44 H new ATOM 0 HG2 GLN A 60 -2.154 9.060 -9.662 1.00 34.21 H new ATOM 0 HG3 GLN A 60 -0.560 9.780 -9.557 1.00 34.21 H new ATOM 0 HE21 GLN A 60 -2.513 9.988 -11.743 1.00 12.45 H new ATOM 0 HE22 GLN A 60 -1.723 9.349 -13.189 1.00 12.45 H new ATOM 995 N MET A 61 1.343 8.393 -6.630 1.00 54.22 N ATOM 996 CA MET A 61 1.750 9.342 -5.568 1.00 32.44 C ATOM 997 C MET A 61 3.286 9.433 -5.456 1.00 32.44 C ATOM 998 O MET A 61 3.841 10.508 -5.185 1.00 4.14 O ATOM 999 CB MET A 61 1.108 8.919 -4.225 1.00 54.02 C ATOM 1000 CG MET A 61 -0.421 9.057 -4.204 1.00 14.52 C ATOM 1001 SD MET A 61 -1.154 8.459 -2.667 1.00 4.44 S ATOM 1002 CE MET A 61 -1.042 6.686 -2.844 1.00 65.41 C ATOM 0 H MET A 61 0.981 7.509 -6.273 1.00 54.22 H new ATOM 0 HA MET A 61 1.393 10.339 -5.828 1.00 32.44 H new ATOM 0 HB2 MET A 61 1.374 7.883 -4.015 1.00 54.02 H new ATOM 0 HB3 MET A 61 1.530 9.525 -3.423 1.00 54.02 H new ATOM 0 HG2 MET A 61 -0.689 10.104 -4.346 1.00 14.52 H new ATOM 0 HG3 MET A 61 -0.843 8.503 -5.043 1.00 14.52 H new ATOM 0 HE1 MET A 61 -1.903 6.218 -2.367 1.00 65.41 H new ATOM 0 HE2 MET A 61 -1.027 6.426 -3.902 1.00 65.41 H new ATOM 0 HE3 MET A 61 -0.127 6.330 -2.370 1.00 65.41 H new ATOM 1012 N TYR A 62 3.952 8.281 -5.655 1.00 43.10 N ATOM 1013 CA TYR A 62 5.419 8.200 -5.800 1.00 21.13 C ATOM 1014 C TYR A 62 5.897 8.962 -7.063 1.00 0.21 C ATOM 1015 O TYR A 62 6.908 9.656 -7.025 1.00 32.02 O ATOM 1016 CB TYR A 62 5.863 6.709 -5.855 1.00 10.32 C ATOM 1017 CG TYR A 62 7.299 6.502 -6.357 1.00 74.33 C ATOM 1018 CD1 TYR A 62 8.395 6.909 -5.594 1.00 32.32 C ATOM 1019 CD2 TYR A 62 7.556 5.955 -7.623 1.00 30.21 C ATOM 1020 CE1 TYR A 62 9.678 6.773 -6.069 1.00 43.12 C ATOM 1021 CE2 TYR A 62 8.840 5.811 -8.091 1.00 72.22 C ATOM 1022 CZ TYR A 62 9.895 6.230 -7.316 1.00 64.13 C ATOM 1023 OH TYR A 62 11.178 6.103 -7.786 1.00 53.32 O ATOM 0 H TYR A 62 3.487 7.376 -5.720 1.00 43.10 H new ATOM 0 HA TYR A 62 5.880 8.674 -4.934 1.00 21.13 H new ATOM 0 HB2 TYR A 62 5.772 6.277 -4.859 1.00 10.32 H new ATOM 0 HB3 TYR A 62 5.180 6.161 -6.504 1.00 10.32 H new ATOM 0 HD1 TYR A 62 8.233 7.337 -4.616 1.00 32.32 H new ATOM 0 HD2 TYR A 62 6.729 5.641 -8.242 1.00 30.21 H new ATOM 0 HE1 TYR A 62 10.515 7.092 -5.465 1.00 43.12 H new ATOM 0 HE2 TYR A 62 9.019 5.372 -9.061 1.00 72.22 H new ATOM 0 HH TYR A 62 11.661 5.443 -7.246 1.00 53.32 H new ATOM 1033 N LYS A 63 5.163 8.782 -8.171 1.00 52.35 N ATOM 1034 CA LYS A 63 5.435 9.459 -9.464 1.00 61.04 C ATOM 1035 C LYS A 63 5.418 10.995 -9.298 1.00 14.11 C ATOM 1036 O LYS A 63 6.257 11.711 -9.860 1.00 34.34 O ATOM 1037 CB LYS A 63 4.360 9.028 -10.503 1.00 42.22 C ATOM 1038 CG LYS A 63 4.464 9.705 -11.889 1.00 40.53 C ATOM 1039 CD LYS A 63 3.191 9.503 -12.752 1.00 24.32 C ATOM 1040 CE LYS A 63 2.903 8.029 -13.081 1.00 70.14 C ATOM 1041 NZ LYS A 63 3.952 7.439 -13.941 1.00 73.50 N ATOM 0 H LYS A 63 4.356 8.159 -8.203 1.00 52.35 H new ATOM 0 HA LYS A 63 6.426 9.167 -9.812 1.00 61.04 H new ATOM 0 HB2 LYS A 63 4.424 7.949 -10.640 1.00 42.22 H new ATOM 0 HB3 LYS A 63 3.374 9.239 -10.088 1.00 42.22 H new ATOM 0 HG2 LYS A 63 4.641 10.772 -11.755 1.00 40.53 H new ATOM 0 HG3 LYS A 63 5.326 9.303 -12.421 1.00 40.53 H new ATOM 0 HD2 LYS A 63 2.334 9.924 -12.226 1.00 24.32 H new ATOM 0 HD3 LYS A 63 3.300 10.061 -13.682 1.00 24.32 H new ATOM 0 HE2 LYS A 63 2.830 7.458 -12.155 1.00 70.14 H new ATOM 0 HE3 LYS A 63 1.938 7.951 -13.581 1.00 70.14 H new ATOM 0 HZ1 LYS A 63 3.703 6.455 -14.167 1.00 73.50 H new ATOM 0 HZ2 LYS A 63 4.029 7.988 -14.821 1.00 73.50 H new ATOM 0 HZ3 LYS A 63 4.863 7.459 -13.440 1.00 73.50 H new ATOM 1055 N ASP A 64 4.444 11.469 -8.507 1.00 5.33 N ATOM 1056 CA ASP A 64 4.261 12.896 -8.218 1.00 63.51 C ATOM 1057 C ASP A 64 5.412 13.435 -7.327 1.00 31.20 C ATOM 1058 O ASP A 64 6.004 14.479 -7.626 1.00 42.43 O ATOM 1059 CB ASP A 64 2.880 13.113 -7.543 1.00 4.30 C ATOM 1060 CG ASP A 64 2.471 14.595 -7.490 1.00 71.21 C ATOM 1061 OD1 ASP A 64 1.927 15.101 -8.496 1.00 42.43 O ATOM 1062 OD2 ASP A 64 2.703 15.262 -6.460 1.00 44.25 O ATOM 0 H ASP A 64 3.759 10.869 -8.048 1.00 5.33 H new ATOM 0 HA ASP A 64 4.288 13.455 -9.153 1.00 63.51 H new ATOM 0 HB2 ASP A 64 2.122 12.550 -8.088 1.00 4.30 H new ATOM 0 HB3 ASP A 64 2.908 12.712 -6.530 1.00 4.30 H new ATOM 1067 N ALA A 65 5.743 12.690 -6.252 1.00 54.44 N ATOM 1068 CA ALA A 65 6.770 13.100 -5.261 1.00 1.50 C ATOM 1069 C ALA A 65 7.728 11.920 -4.900 1.00 0.31 C ATOM 1070 O ALA A 65 7.516 11.220 -3.896 1.00 73.52 O ATOM 1071 CB ALA A 65 6.080 13.676 -4.012 1.00 4.13 C ATOM 0 H ALA A 65 5.310 11.790 -6.043 1.00 54.44 H new ATOM 0 HA ALA A 65 7.393 13.877 -5.705 1.00 1.50 H new ATOM 0 HB1 ALA A 65 6.835 13.977 -3.285 1.00 4.13 H new ATOM 0 HB2 ALA A 65 5.482 14.543 -4.294 1.00 4.13 H new ATOM 0 HB3 ALA A 65 5.434 12.917 -3.571 1.00 4.13 H new ATOM 1077 N PRO A 66 8.774 11.642 -5.757 1.00 64.02 N ATOM 1078 CA PRO A 66 9.812 10.616 -5.473 1.00 35.43 C ATOM 1079 C PRO A 66 10.792 11.063 -4.350 1.00 74.34 C ATOM 1080 O PRO A 66 11.594 11.987 -4.540 1.00 64.02 O ATOM 1081 CB PRO A 66 10.547 10.442 -6.848 1.00 11.31 C ATOM 1082 CG PRO A 66 9.693 11.168 -7.852 1.00 51.34 C ATOM 1083 CD PRO A 66 9.005 12.271 -7.080 1.00 3.12 C ATOM 0 HA PRO A 66 9.382 9.686 -5.102 1.00 35.43 H new ATOM 0 HB2 PRO A 66 11.553 10.861 -6.812 1.00 11.31 H new ATOM 0 HB3 PRO A 66 10.650 9.388 -7.108 1.00 11.31 H new ATOM 0 HG2 PRO A 66 10.300 11.575 -8.661 1.00 51.34 H new ATOM 0 HG3 PRO A 66 8.966 10.496 -8.307 1.00 51.34 H new ATOM 0 HD2 PRO A 66 9.629 13.162 -7.002 1.00 3.12 H new ATOM 0 HD3 PRO A 66 8.071 12.576 -7.553 1.00 3.12 H new ATOM 1091 N ASN A 67 10.703 10.407 -3.176 1.00 54.53 N ATOM 1092 CA ASN A 67 11.550 10.724 -1.989 1.00 23.44 C ATOM 1093 C ASN A 67 12.447 9.520 -1.567 1.00 64.23 C ATOM 1094 O ASN A 67 12.800 9.385 -0.388 1.00 53.32 O ATOM 1095 CB ASN A 67 10.641 11.204 -0.820 1.00 52.14 C ATOM 1096 CG ASN A 67 9.514 10.223 -0.474 1.00 72.10 C ATOM 1097 OD1 ASN A 67 9.686 9.315 0.337 1.00 2.04 O ATOM 1098 ND2 ASN A 67 8.358 10.387 -1.097 1.00 43.34 N ATOM 0 H ASN A 67 10.047 9.643 -3.015 1.00 54.53 H new ATOM 0 HA ASN A 67 12.235 11.528 -2.258 1.00 23.44 H new ATOM 0 HB2 ASN A 67 11.256 11.364 0.065 1.00 52.14 H new ATOM 0 HB3 ASN A 67 10.204 12.168 -1.083 1.00 52.14 H new ATOM 0 HD21 ASN A 67 7.583 9.752 -0.909 1.00 43.34 H new ATOM 0 HD22 ASN A 67 8.242 11.149 -1.765 1.00 43.34 H new ATOM 1105 N ALA A 68 12.829 8.681 -2.563 1.00 62.43 N ATOM 1106 CA ALA A 68 13.727 7.491 -2.396 1.00 53.15 C ATOM 1107 C ALA A 68 13.063 6.327 -1.605 1.00 65.14 C ATOM 1108 O ALA A 68 12.773 5.272 -2.177 1.00 5.44 O ATOM 1109 CB ALA A 68 15.100 7.880 -1.794 1.00 5.24 C ATOM 0 H ALA A 68 12.520 8.808 -3.527 1.00 62.43 H new ATOM 0 HA ALA A 68 13.905 7.111 -3.402 1.00 53.15 H new ATOM 0 HB1 ALA A 68 15.718 6.988 -1.691 1.00 5.24 H new ATOM 0 HB2 ALA A 68 15.598 8.592 -2.453 1.00 5.24 H new ATOM 0 HB3 ALA A 68 14.952 8.334 -0.814 1.00 5.24 H new ATOM 1115 N VAL A 69 12.830 6.535 -0.293 1.00 53.35 N ATOM 1116 CA VAL A 69 12.199 5.535 0.621 1.00 40.52 C ATOM 1117 C VAL A 69 10.812 5.063 0.106 1.00 22.30 C ATOM 1118 O VAL A 69 10.455 3.884 0.231 1.00 31.55 O ATOM 1119 CB VAL A 69 12.069 6.136 2.075 1.00 2.32 C ATOM 1120 CG1 VAL A 69 11.401 5.151 3.072 1.00 62.42 C ATOM 1121 CG2 VAL A 69 13.456 6.596 2.596 1.00 3.21 C ATOM 0 H VAL A 69 13.074 7.408 0.176 1.00 53.35 H new ATOM 0 HA VAL A 69 12.848 4.660 0.647 1.00 40.52 H new ATOM 0 HB VAL A 69 11.411 7.002 2.006 1.00 2.32 H new ATOM 0 HG11 VAL A 69 11.337 5.616 4.056 1.00 62.42 H new ATOM 0 HG12 VAL A 69 10.399 4.903 2.722 1.00 62.42 H new ATOM 0 HG13 VAL A 69 11.997 4.241 3.139 1.00 62.42 H new ATOM 0 HG21 VAL A 69 13.349 7.008 3.600 1.00 3.21 H new ATOM 0 HG22 VAL A 69 14.135 5.744 2.624 1.00 3.21 H new ATOM 0 HG23 VAL A 69 13.859 7.360 1.931 1.00 3.21 H new ATOM 1131 N MET A 70 10.059 5.996 -0.502 1.00 20.52 N ATOM 1132 CA MET A 70 8.720 5.716 -1.062 1.00 33.42 C ATOM 1133 C MET A 70 8.767 4.649 -2.195 1.00 75.04 C ATOM 1134 O MET A 70 7.836 3.859 -2.338 1.00 64.43 O ATOM 1135 CB MET A 70 8.069 7.039 -1.558 1.00 0.12 C ATOM 1136 CG MET A 70 6.559 6.962 -1.780 1.00 32.31 C ATOM 1137 SD MET A 70 5.800 8.570 -2.082 1.00 23.32 S ATOM 1138 CE MET A 70 4.055 8.151 -1.992 1.00 21.14 C ATOM 0 H MET A 70 10.358 6.964 -0.620 1.00 20.52 H new ATOM 0 HA MET A 70 8.104 5.294 -0.268 1.00 33.42 H new ATOM 0 HB2 MET A 70 8.276 7.825 -0.832 1.00 0.12 H new ATOM 0 HB3 MET A 70 8.546 7.335 -2.493 1.00 0.12 H new ATOM 0 HG2 MET A 70 6.356 6.307 -2.628 1.00 32.31 H new ATOM 0 HG3 MET A 70 6.093 6.506 -0.906 1.00 32.31 H new ATOM 0 HE1 MET A 70 3.457 9.047 -2.159 1.00 21.14 H new ATOM 0 HE2 MET A 70 3.819 7.409 -2.755 1.00 21.14 H new ATOM 0 HE3 MET A 70 3.829 7.743 -1.007 1.00 21.14 H new ATOM 1148 N GLU A 71 9.882 4.622 -2.964 1.00 73.11 N ATOM 1149 CA GLU A 71 10.110 3.617 -4.043 1.00 24.04 C ATOM 1150 C GLU A 71 10.198 2.183 -3.468 1.00 5.22 C ATOM 1151 O GLU A 71 9.647 1.233 -4.036 1.00 31.13 O ATOM 1152 CB GLU A 71 11.424 3.943 -4.802 1.00 15.30 C ATOM 1153 CG GLU A 71 11.692 3.057 -6.040 1.00 42.33 C ATOM 1154 CD GLU A 71 13.101 3.239 -6.633 1.00 13.21 C ATOM 1155 OE1 GLU A 71 13.428 4.360 -7.073 1.00 53.53 O ATOM 1156 OE2 GLU A 71 13.884 2.261 -6.664 1.00 51.30 O ATOM 0 H GLU A 71 10.647 5.289 -2.859 1.00 73.11 H new ATOM 0 HA GLU A 71 9.263 3.666 -4.727 1.00 24.04 H new ATOM 0 HB2 GLU A 71 11.396 4.986 -5.118 1.00 15.30 H new ATOM 0 HB3 GLU A 71 12.261 3.841 -4.111 1.00 15.30 H new ATOM 0 HG2 GLU A 71 11.555 2.011 -5.765 1.00 42.33 H new ATOM 0 HG3 GLU A 71 10.952 3.285 -6.807 1.00 42.33 H new ATOM 1163 N GLN A 72 10.910 2.058 -2.334 1.00 2.43 N ATOM 1164 CA GLN A 72 11.071 0.782 -1.610 1.00 4.53 C ATOM 1165 C GLN A 72 9.698 0.242 -1.137 1.00 1.40 C ATOM 1166 O GLN A 72 9.440 -0.959 -1.209 1.00 53.53 O ATOM 1167 CB GLN A 72 12.042 0.984 -0.411 1.00 24.54 C ATOM 1168 CG GLN A 72 12.389 -0.299 0.370 1.00 25.04 C ATOM 1169 CD GLN A 72 13.454 -0.077 1.448 1.00 22.04 C ATOM 1170 OE1 GLN A 72 13.147 0.204 2.603 1.00 53.41 O ATOM 1171 NE2 GLN A 72 14.719 -0.182 1.073 1.00 55.11 N ATOM 0 H GLN A 72 11.392 2.841 -1.892 1.00 2.43 H new ATOM 0 HA GLN A 72 11.498 0.039 -2.283 1.00 4.53 H new ATOM 0 HB2 GLN A 72 12.966 1.427 -0.782 1.00 24.54 H new ATOM 0 HB3 GLN A 72 11.599 1.703 0.279 1.00 24.54 H new ATOM 0 HG2 GLN A 72 11.484 -0.689 0.836 1.00 25.04 H new ATOM 0 HG3 GLN A 72 12.740 -1.058 -0.328 1.00 25.04 H new ATOM 0 HE21 GLN A 72 14.947 -0.417 0.107 1.00 55.11 H new ATOM 0 HE22 GLN A 72 15.466 -0.028 1.750 1.00 55.11 H new ATOM 1180 N LEU A 73 8.819 1.172 -0.699 1.00 70.15 N ATOM 1181 CA LEU A 73 7.430 0.865 -0.269 1.00 14.52 C ATOM 1182 C LEU A 73 6.560 0.293 -1.422 1.00 13.35 C ATOM 1183 O LEU A 73 5.671 -0.526 -1.167 1.00 43.13 O ATOM 1184 CB LEU A 73 6.770 2.138 0.328 1.00 43.11 C ATOM 1185 CG LEU A 73 7.457 2.721 1.607 1.00 42.03 C ATOM 1186 CD1 LEU A 73 6.853 4.089 1.999 1.00 72.30 C ATOM 1187 CD2 LEU A 73 7.386 1.717 2.790 1.00 63.43 C ATOM 0 H LEU A 73 9.052 2.163 -0.633 1.00 70.15 H new ATOM 0 HA LEU A 73 7.489 0.089 0.494 1.00 14.52 H new ATOM 0 HB2 LEU A 73 6.756 2.912 -0.439 1.00 43.11 H new ATOM 0 HB3 LEU A 73 5.732 1.908 0.568 1.00 43.11 H new ATOM 0 HG LEU A 73 8.509 2.882 1.370 1.00 42.03 H new ATOM 0 HD11 LEU A 73 7.353 4.465 2.891 1.00 72.30 H new ATOM 0 HD12 LEU A 73 6.991 4.796 1.181 1.00 72.30 H new ATOM 0 HD13 LEU A 73 5.788 3.972 2.202 1.00 72.30 H new ATOM 0 HD21 LEU A 73 7.872 2.150 3.664 1.00 63.43 H new ATOM 0 HD22 LEU A 73 6.343 1.502 3.023 1.00 63.43 H new ATOM 0 HD23 LEU A 73 7.894 0.793 2.514 1.00 63.43 H new ATOM 1199 N LEU A 74 6.813 0.747 -2.679 1.00 72.22 N ATOM 1200 CA LEU A 74 6.186 0.141 -3.889 1.00 50.01 C ATOM 1201 C LEU A 74 6.573 -1.350 -4.014 1.00 64.41 C ATOM 1202 O LEU A 74 5.708 -2.217 -4.146 1.00 74.33 O ATOM 1203 CB LEU A 74 6.581 0.892 -5.209 1.00 53.22 C ATOM 1204 CG LEU A 74 5.708 2.122 -5.621 1.00 75.54 C ATOM 1205 CD1 LEU A 74 5.840 3.281 -4.625 1.00 71.34 C ATOM 1206 CD2 LEU A 74 6.047 2.581 -7.062 1.00 64.13 C ATOM 0 H LEU A 74 7.441 1.524 -2.882 1.00 72.22 H new ATOM 0 HA LEU A 74 5.108 0.234 -3.760 1.00 50.01 H new ATOM 0 HB2 LEU A 74 7.613 1.228 -5.110 1.00 53.22 H new ATOM 0 HB3 LEU A 74 6.557 0.172 -6.027 1.00 53.22 H new ATOM 0 HG LEU A 74 4.666 1.802 -5.601 1.00 75.54 H new ATOM 0 HD11 LEU A 74 5.217 4.114 -4.951 1.00 71.34 H new ATOM 0 HD12 LEU A 74 5.517 2.951 -3.638 1.00 71.34 H new ATOM 0 HD13 LEU A 74 6.880 3.603 -4.578 1.00 71.34 H new ATOM 0 HD21 LEU A 74 5.427 3.438 -7.326 1.00 64.13 H new ATOM 0 HD22 LEU A 74 7.098 2.863 -7.116 1.00 64.13 H new ATOM 0 HD23 LEU A 74 5.854 1.765 -7.759 1.00 64.13 H new ATOM 1218 N GLU A 75 7.890 -1.621 -3.945 1.00 60.31 N ATOM 1219 CA GLU A 75 8.428 -2.994 -4.083 1.00 22.24 C ATOM 1220 C GLU A 75 7.986 -3.908 -2.927 1.00 75.12 C ATOM 1221 O GLU A 75 7.842 -5.108 -3.130 1.00 53.23 O ATOM 1222 CB GLU A 75 9.966 -2.980 -4.182 1.00 72.52 C ATOM 1223 CG GLU A 75 10.509 -2.199 -5.386 1.00 55.01 C ATOM 1224 CD GLU A 75 12.037 -2.255 -5.514 1.00 65.42 C ATOM 1225 OE1 GLU A 75 12.731 -1.605 -4.712 1.00 42.34 O ATOM 1226 OE2 GLU A 75 12.547 -2.943 -6.423 1.00 44.23 O ATOM 0 H GLU A 75 8.604 -0.909 -3.794 1.00 60.31 H new ATOM 0 HA GLU A 75 8.016 -3.399 -5.007 1.00 22.24 H new ATOM 0 HB2 GLU A 75 10.374 -2.548 -3.268 1.00 72.52 H new ATOM 0 HB3 GLU A 75 10.325 -4.008 -4.237 1.00 72.52 H new ATOM 0 HG2 GLU A 75 10.061 -2.595 -6.298 1.00 55.01 H new ATOM 0 HG3 GLU A 75 10.197 -1.158 -5.304 1.00 55.01 H new ATOM 1233 N GLU A 76 7.774 -3.330 -1.724 1.00 52.42 N ATOM 1234 CA GLU A 76 7.263 -4.076 -0.550 1.00 22.33 C ATOM 1235 C GLU A 76 5.847 -4.638 -0.804 1.00 50.31 C ATOM 1236 O GLU A 76 5.489 -5.696 -0.278 1.00 13.35 O ATOM 1237 CB GLU A 76 7.302 -3.216 0.747 1.00 64.43 C ATOM 1238 CG GLU A 76 8.723 -2.895 1.263 1.00 20.21 C ATOM 1239 CD GLU A 76 9.603 -4.153 1.424 1.00 2.15 C ATOM 1240 OE1 GLU A 76 9.251 -5.027 2.244 1.00 22.50 O ATOM 1241 OE2 GLU A 76 10.641 -4.278 0.729 1.00 1.12 O ATOM 0 H GLU A 76 7.950 -2.342 -1.539 1.00 52.42 H new ATOM 0 HA GLU A 76 7.932 -4.923 -0.399 1.00 22.33 H new ATOM 0 HB2 GLU A 76 6.776 -2.279 0.562 1.00 64.43 H new ATOM 0 HB3 GLU A 76 6.754 -3.739 1.531 1.00 64.43 H new ATOM 0 HG2 GLU A 76 9.208 -2.205 0.572 1.00 20.21 H new ATOM 0 HG3 GLU A 76 8.649 -2.385 2.223 1.00 20.21 H new ATOM 1248 N ILE A 77 5.066 -3.931 -1.634 1.00 70.02 N ATOM 1249 CA ILE A 77 3.761 -4.424 -2.114 1.00 70.34 C ATOM 1250 C ILE A 77 3.963 -5.616 -3.099 1.00 51.31 C ATOM 1251 O ILE A 77 3.254 -6.617 -3.005 1.00 3.31 O ATOM 1252 CB ILE A 77 2.932 -3.275 -2.796 1.00 20.30 C ATOM 1253 CG1 ILE A 77 2.753 -2.068 -1.812 1.00 60.35 C ATOM 1254 CG2 ILE A 77 1.559 -3.795 -3.293 1.00 23.32 C ATOM 1255 CD1 ILE A 77 2.050 -0.856 -2.400 1.00 3.42 C ATOM 0 H ILE A 77 5.316 -3.009 -1.991 1.00 70.02 H new ATOM 0 HA ILE A 77 3.194 -4.774 -1.252 1.00 70.34 H new ATOM 0 HB ILE A 77 3.488 -2.927 -3.667 1.00 20.30 H new ATOM 0 HG12 ILE A 77 2.191 -2.408 -0.942 1.00 60.35 H new ATOM 0 HG13 ILE A 77 3.736 -1.761 -1.456 1.00 60.35 H new ATOM 0 HG21 ILE A 77 1.008 -2.979 -3.760 1.00 23.32 H new ATOM 0 HG22 ILE A 77 1.713 -4.592 -4.021 1.00 23.32 H new ATOM 0 HG23 ILE A 77 0.989 -4.181 -2.448 1.00 23.32 H new ATOM 0 HD11 ILE A 77 1.975 -0.076 -1.642 1.00 3.42 H new ATOM 0 HD12 ILE A 77 2.620 -0.482 -3.251 1.00 3.42 H new ATOM 0 HD13 ILE A 77 1.050 -1.139 -2.729 1.00 3.42 H new ATOM 1267 N GLU A 78 4.961 -5.496 -4.020 1.00 31.22 N ATOM 1268 CA GLU A 78 5.342 -6.585 -4.982 1.00 11.31 C ATOM 1269 C GLU A 78 5.799 -7.881 -4.274 1.00 30.13 C ATOM 1270 O GLU A 78 5.584 -8.978 -4.802 1.00 25.34 O ATOM 1271 CB GLU A 78 6.448 -6.105 -5.990 1.00 62.02 C ATOM 1272 CG GLU A 78 5.939 -5.334 -7.231 1.00 45.11 C ATOM 1273 CD GLU A 78 5.182 -4.043 -6.892 1.00 14.13 C ATOM 1274 OE1 GLU A 78 3.978 -4.109 -6.597 1.00 0.12 O ATOM 1275 OE2 GLU A 78 5.793 -2.953 -6.932 1.00 74.23 O ATOM 0 H GLU A 78 5.523 -4.651 -4.121 1.00 31.22 H new ATOM 0 HA GLU A 78 4.434 -6.819 -5.538 1.00 11.31 H new ATOM 0 HB2 GLU A 78 7.151 -5.468 -5.453 1.00 62.02 H new ATOM 0 HB3 GLU A 78 7.005 -6.977 -6.331 1.00 62.02 H new ATOM 0 HG2 GLU A 78 6.789 -5.089 -7.868 1.00 45.11 H new ATOM 0 HG3 GLU A 78 5.285 -5.986 -7.809 1.00 45.11 H new ATOM 1282 N LYS A 79 6.427 -7.741 -3.081 1.00 33.32 N ATOM 1283 CA LYS A 79 6.835 -8.906 -2.249 1.00 74.33 C ATOM 1284 C LYS A 79 5.581 -9.741 -1.880 1.00 54.31 C ATOM 1285 O LYS A 79 5.577 -10.970 -1.974 1.00 54.40 O ATOM 1286 CB LYS A 79 7.564 -8.468 -0.929 1.00 41.04 C ATOM 1287 CG LYS A 79 8.649 -7.369 -1.054 1.00 71.23 C ATOM 1288 CD LYS A 79 9.718 -7.635 -2.133 1.00 30.13 C ATOM 1289 CE LYS A 79 10.833 -6.576 -2.127 1.00 23.42 C ATOM 1290 NZ LYS A 79 11.871 -6.866 -3.146 1.00 31.41 N ATOM 0 H LYS A 79 6.663 -6.837 -2.672 1.00 33.32 H new ATOM 0 HA LYS A 79 7.535 -9.499 -2.838 1.00 74.33 H new ATOM 0 HB2 LYS A 79 6.809 -8.119 -0.225 1.00 41.04 H new ATOM 0 HB3 LYS A 79 8.026 -9.351 -0.489 1.00 41.04 H new ATOM 0 HG2 LYS A 79 8.161 -6.419 -1.273 1.00 71.23 H new ATOM 0 HG3 LYS A 79 9.146 -7.257 -0.090 1.00 71.23 H new ATOM 0 HD2 LYS A 79 10.156 -8.620 -1.972 1.00 30.13 H new ATOM 0 HD3 LYS A 79 9.243 -7.653 -3.114 1.00 30.13 H new ATOM 0 HE2 LYS A 79 10.402 -5.593 -2.316 1.00 23.42 H new ATOM 0 HE3 LYS A 79 11.293 -6.538 -1.140 1.00 23.42 H new ATOM 0 HZ1 LYS A 79 12.606 -6.131 -3.112 1.00 31.41 H new ATOM 0 HZ2 LYS A 79 12.300 -7.793 -2.951 1.00 31.41 H new ATOM 0 HZ3 LYS A 79 11.436 -6.878 -4.091 1.00 31.41 H new ATOM 1304 N LEU A 80 4.513 -9.014 -1.489 1.00 45.41 N ATOM 1305 CA LEU A 80 3.212 -9.594 -1.084 1.00 75.11 C ATOM 1306 C LEU A 80 2.348 -10.039 -2.285 1.00 72.34 C ATOM 1307 O LEU A 80 1.534 -10.934 -2.128 1.00 54.04 O ATOM 1308 CB LEU A 80 2.426 -8.620 -0.152 1.00 43.21 C ATOM 1309 CG LEU A 80 2.867 -8.619 1.352 1.00 61.44 C ATOM 1310 CD1 LEU A 80 4.347 -8.217 1.533 1.00 71.03 C ATOM 1311 CD2 LEU A 80 1.932 -7.723 2.196 1.00 1.24 C ATOM 0 H LEU A 80 4.529 -7.995 -1.445 1.00 45.41 H new ATOM 0 HA LEU A 80 3.441 -10.498 -0.520 1.00 75.11 H new ATOM 0 HB2 LEU A 80 2.530 -7.608 -0.543 1.00 43.21 H new ATOM 0 HB3 LEU A 80 1.367 -8.874 -0.201 1.00 43.21 H new ATOM 0 HG LEU A 80 2.779 -9.643 1.714 1.00 61.44 H new ATOM 0 HD11 LEU A 80 4.601 -8.232 2.593 1.00 71.03 H new ATOM 0 HD12 LEU A 80 4.983 -8.921 0.997 1.00 71.03 H new ATOM 0 HD13 LEU A 80 4.502 -7.213 1.137 1.00 71.03 H new ATOM 0 HD21 LEU A 80 2.256 -7.737 3.237 1.00 1.24 H new ATOM 0 HD22 LEU A 80 1.969 -6.701 1.818 1.00 1.24 H new ATOM 0 HD23 LEU A 80 0.911 -8.098 2.129 1.00 1.24 H new ATOM 1323 N LEU A 81 2.488 -9.390 -3.457 1.00 4.35 N ATOM 1324 CA LEU A 81 1.808 -9.846 -4.707 1.00 11.35 C ATOM 1325 C LEU A 81 2.324 -11.246 -5.128 1.00 4.43 C ATOM 1326 O LEU A 81 1.554 -12.119 -5.558 1.00 72.31 O ATOM 1327 CB LEU A 81 2.006 -8.814 -5.857 1.00 12.23 C ATOM 1328 CG LEU A 81 1.350 -7.408 -5.639 1.00 34.54 C ATOM 1329 CD1 LEU A 81 1.569 -6.480 -6.860 1.00 62.05 C ATOM 1330 CD2 LEU A 81 -0.154 -7.536 -5.295 1.00 61.55 C ATOM 0 H LEU A 81 3.059 -8.553 -3.575 1.00 4.35 H new ATOM 0 HA LEU A 81 0.740 -9.921 -4.505 1.00 11.35 H new ATOM 0 HB2 LEU A 81 3.076 -8.674 -6.012 1.00 12.23 H new ATOM 0 HB3 LEU A 81 1.604 -9.242 -6.775 1.00 12.23 H new ATOM 0 HG LEU A 81 1.848 -6.947 -4.786 1.00 34.54 H new ATOM 0 HD11 LEU A 81 1.100 -5.514 -6.672 1.00 62.05 H new ATOM 0 HD12 LEU A 81 2.638 -6.339 -7.023 1.00 62.05 H new ATOM 0 HD13 LEU A 81 1.124 -6.933 -7.746 1.00 62.05 H new ATOM 0 HD21 LEU A 81 -0.580 -6.543 -5.150 1.00 61.55 H new ATOM 0 HD22 LEU A 81 -0.673 -8.037 -6.112 1.00 61.55 H new ATOM 0 HD23 LEU A 81 -0.270 -8.118 -4.381 1.00 61.55 H new ATOM 1342 N LYS A 82 3.640 -11.432 -4.976 1.00 70.42 N ATOM 1343 CA LYS A 82 4.321 -12.734 -5.148 1.00 44.31 C ATOM 1344 C LYS A 82 3.876 -13.749 -4.057 1.00 3.54 C ATOM 1345 O LYS A 82 3.546 -14.901 -4.355 1.00 31.22 O ATOM 1346 CB LYS A 82 5.859 -12.501 -5.070 1.00 74.45 C ATOM 1347 CG LYS A 82 6.731 -13.784 -5.055 1.00 20.35 C ATOM 1348 CD LYS A 82 8.242 -13.490 -4.860 1.00 2.33 C ATOM 1349 CE LYS A 82 8.549 -12.721 -3.560 1.00 4.30 C ATOM 1350 NZ LYS A 82 10.002 -12.459 -3.403 1.00 63.44 N ATOM 0 H LYS A 82 4.277 -10.675 -4.726 1.00 70.42 H new ATOM 0 HA LYS A 82 4.052 -13.155 -6.117 1.00 44.31 H new ATOM 0 HB2 LYS A 82 6.159 -11.889 -5.920 1.00 74.45 H new ATOM 0 HB3 LYS A 82 6.076 -11.925 -4.170 1.00 74.45 H new ATOM 0 HG2 LYS A 82 6.388 -14.440 -4.255 1.00 20.35 H new ATOM 0 HG3 LYS A 82 6.590 -14.323 -5.992 1.00 20.35 H new ATOM 0 HD2 LYS A 82 8.791 -14.432 -4.856 1.00 2.33 H new ATOM 0 HD3 LYS A 82 8.606 -12.913 -5.710 1.00 2.33 H new ATOM 0 HE2 LYS A 82 8.007 -11.775 -3.561 1.00 4.30 H new ATOM 0 HE3 LYS A 82 8.189 -13.294 -2.705 1.00 4.30 H new ATOM 0 HZ1 LYS A 82 10.167 -11.940 -2.517 1.00 63.44 H new ATOM 0 HZ2 LYS A 82 10.517 -13.362 -3.377 1.00 63.44 H new ATOM 0 HZ3 LYS A 82 10.341 -11.891 -4.205 1.00 63.44 H new ATOM 1364 N LYS A 83 3.868 -13.283 -2.797 1.00 32.44 N ATOM 1365 CA LYS A 83 3.620 -14.124 -1.599 1.00 13.03 C ATOM 1366 C LYS A 83 2.137 -14.594 -1.471 1.00 62.12 C ATOM 1367 O LYS A 83 1.873 -15.720 -1.033 1.00 24.41 O ATOM 1368 CB LYS A 83 4.054 -13.328 -0.339 1.00 52.40 C ATOM 1369 CG LYS A 83 4.011 -14.120 0.983 1.00 42.21 C ATOM 1370 CD LYS A 83 4.451 -13.277 2.204 1.00 33.34 C ATOM 1371 CE LYS A 83 4.408 -14.074 3.516 1.00 75.34 C ATOM 1372 NZ LYS A 83 5.280 -15.276 3.466 1.00 22.13 N ATOM 0 H LYS A 83 4.035 -12.302 -2.572 1.00 32.44 H new ATOM 0 HA LYS A 83 4.209 -15.035 -1.701 1.00 13.03 H new ATOM 0 HB2 LYS A 83 5.069 -12.961 -0.492 1.00 52.40 H new ATOM 0 HB3 LYS A 83 3.411 -12.454 -0.242 1.00 52.40 H new ATOM 0 HG2 LYS A 83 2.998 -14.488 1.148 1.00 42.21 H new ATOM 0 HG3 LYS A 83 4.658 -14.993 0.899 1.00 42.21 H new ATOM 0 HD2 LYS A 83 5.463 -12.907 2.040 1.00 33.34 H new ATOM 0 HD3 LYS A 83 3.803 -12.405 2.291 1.00 33.34 H new ATOM 0 HE2 LYS A 83 4.721 -13.433 4.340 1.00 75.34 H new ATOM 0 HE3 LYS A 83 3.382 -14.379 3.722 1.00 75.34 H new ATOM 0 HZ1 LYS A 83 5.356 -15.690 4.417 1.00 22.13 H new ATOM 0 HZ2 LYS A 83 4.869 -15.976 2.816 1.00 22.13 H new ATOM 0 HZ3 LYS A 83 6.226 -15.005 3.130 1.00 22.13 H new ATOM 1386 N ALA A 84 1.189 -13.722 -1.871 1.00 21.32 N ATOM 1387 CA ALA A 84 -0.274 -13.946 -1.691 1.00 73.30 C ATOM 1388 C ALA A 84 -0.810 -15.050 -2.617 1.00 63.23 C ATOM 1389 O ALA A 84 -1.573 -15.921 -2.188 1.00 61.34 O ATOM 1390 CB ALA A 84 -1.058 -12.639 -1.926 1.00 73.13 C ATOM 0 H ALA A 84 1.409 -12.838 -2.330 1.00 21.32 H new ATOM 0 HA ALA A 84 -0.420 -14.275 -0.662 1.00 73.30 H new ATOM 0 HB1 ALA A 84 -2.123 -12.824 -1.790 1.00 73.13 H new ATOM 0 HB2 ALA A 84 -0.727 -11.883 -1.214 1.00 73.13 H new ATOM 0 HB3 ALA A 84 -0.878 -12.284 -2.941 1.00 73.13 H new