USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 785 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 56 LYS NZ :NH3+ -176:sc= 2.14 (180deg=1.16) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0.793 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -38:sc= 0.0196 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0.39 (180deg=0.389) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 1.21 (180deg=1.14) USER MOD Single : A 43 THR OG1 : rot 95:sc= 1.02 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -143:sc= 0.432 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 69:sc= 0.118 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 26:sc= 0.311 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 63:sc= 0.461 USER MOD Single : A 92 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.17) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0.864 K(o=0.86,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= 1.08 (180deg=0.811) USER MOD Single : A 99 GLN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -70:sc= 0.577 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N GLY A 19 -3.820 13.628 -0.611 1.00 0.00 N ATOM 106 CA GLY A 19 -4.944 12.816 -0.119 1.00 0.00 C ATOM 107 C GLY A 19 -4.494 11.615 0.715 1.00 0.00 C ATOM 108 O GLY A 19 -3.304 11.314 0.799 1.00 0.00 O ATOM 0 HA2 GLY A 19 -5.602 13.443 0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.529 12.463 -0.968 1.00 0.00 H new ATOM 112 N ASP A 20 -5.440 10.884 1.299 1.00 0.00 N ATOM 113 CA ASP A 20 -5.211 9.687 2.111 1.00 0.00 C ATOM 114 C ASP A 20 -6.519 8.935 2.421 1.00 0.00 C ATOM 115 O ASP A 20 -7.602 9.529 2.385 1.00 0.00 O ATOM 116 CB ASP A 20 -4.497 10.048 3.425 1.00 0.00 C ATOM 117 CG ASP A 20 -5.332 10.940 4.362 1.00 0.00 C ATOM 118 OD1 ASP A 20 -5.262 12.187 4.239 1.00 0.00 O ATOM 119 OD2 ASP A 20 -6.027 10.392 5.251 1.00 0.00 O ATOM 0 H ASP A 20 -6.430 11.118 1.217 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.575 9.025 1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.237 9.129 3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.562 10.558 3.191 1.00 0.00 H new ATOM 124 N ALA A 21 -6.404 7.647 2.776 1.00 0.00 N ATOM 125 CA ALA A 21 -7.505 6.826 3.292 1.00 0.00 C ATOM 126 C ALA A 21 -6.997 5.538 3.970 1.00 0.00 C ATOM 127 O ALA A 21 -6.315 4.719 3.351 1.00 0.00 O ATOM 128 CB ALA A 21 -8.504 6.495 2.170 1.00 0.00 C ATOM 0 H ALA A 21 -5.523 7.137 2.710 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.018 7.411 4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.313 5.886 2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.913 7.420 1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.994 5.945 1.379 1.00 0.00 H new ATOM 134 N ASN A 22 -7.388 5.345 5.235 1.00 0.00 N ATOM 135 CA ASN A 22 -7.193 4.128 6.034 1.00 0.00 C ATOM 136 C ASN A 22 -5.740 3.593 6.014 1.00 0.00 C ATOM 137 O ASN A 22 -4.901 4.062 6.785 1.00 0.00 O ATOM 138 CB ASN A 22 -8.260 3.077 5.650 1.00 0.00 C ATOM 139 CG ASN A 22 -9.693 3.525 5.951 1.00 0.00 C ATOM 140 OD1 ASN A 22 -9.958 4.334 6.834 1.00 0.00 O ATOM 141 ND2 ASN A 22 -10.667 3.003 5.225 1.00 0.00 N ATOM 0 H ASN A 22 -7.875 6.073 5.758 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.343 4.384 7.083 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.173 2.854 4.587 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.057 2.151 6.188 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.635 3.273 5.400 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.451 2.330 4.490 1.00 0.00 H new ATOM 148 N ILE A 23 -5.438 2.594 5.169 1.00 0.00 N ATOM 149 CA ILE A 23 -4.133 1.898 5.124 1.00 0.00 C ATOM 150 C ILE A 23 -3.100 2.634 4.238 1.00 0.00 C ATOM 151 O ILE A 23 -1.901 2.375 4.368 1.00 0.00 O ATOM 152 CB ILE A 23 -4.384 0.419 4.716 1.00 0.00 C ATOM 153 CG1 ILE A 23 -5.210 -0.299 5.816 1.00 0.00 C ATOM 154 CG2 ILE A 23 -3.088 -0.371 4.435 1.00 0.00 C ATOM 155 CD1 ILE A 23 -5.728 -1.686 5.415 1.00 0.00 C ATOM 0 H ILE A 23 -6.104 2.238 4.483 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.672 1.904 6.112 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.940 0.446 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.593 -0.399 6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.059 0.329 6.084 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.339 -1.394 4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.542 0.104 3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.467 -0.381 5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.294 -2.116 6.241 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.374 -1.595 4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.885 -2.334 5.177 1.00 0.00 H new ATOM 167 N PHE A 24 -3.527 3.564 3.370 1.00 0.00 N ATOM 168 CA PHE A 24 -2.656 4.268 2.427 1.00 0.00 C ATOM 169 C PHE A 24 -2.756 5.803 2.493 1.00 0.00 C ATOM 170 O PHE A 24 -3.698 6.375 3.046 1.00 0.00 O ATOM 171 CB PHE A 24 -2.929 3.737 1.010 1.00 0.00 C ATOM 172 CG PHE A 24 -4.326 3.981 0.479 1.00 0.00 C ATOM 173 CD1 PHE A 24 -4.651 5.200 -0.148 1.00 0.00 C ATOM 174 CD2 PHE A 24 -5.300 2.976 0.599 1.00 0.00 C ATOM 175 CE1 PHE A 24 -5.950 5.414 -0.641 1.00 0.00 C ATOM 176 CE2 PHE A 24 -6.591 3.182 0.093 1.00 0.00 C ATOM 177 CZ PHE A 24 -6.918 4.399 -0.527 1.00 0.00 C ATOM 0 H PHE A 24 -4.504 3.850 3.306 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.626 4.058 2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.214 4.194 0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.738 2.664 1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.901 5.971 -0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.054 2.042 1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.204 6.355 -1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.335 2.404 0.180 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.913 4.556 -0.917 1.00 0.00 H new ATOM 187 N ARG A 25 -1.767 6.467 1.879 1.00 0.00 N ATOM 188 CA ARG A 25 -1.663 7.928 1.735 1.00 0.00 C ATOM 189 C ARG A 25 -1.236 8.244 0.298 1.00 0.00 C ATOM 190 O ARG A 25 -0.474 7.476 -0.276 1.00 0.00 O ATOM 191 CB ARG A 25 -0.628 8.508 2.718 1.00 0.00 C ATOM 192 CG ARG A 25 -0.980 8.270 4.195 1.00 0.00 C ATOM 193 CD ARG A 25 0.050 8.938 5.114 1.00 0.00 C ATOM 194 NE ARG A 25 -0.276 8.710 6.533 1.00 0.00 N ATOM 195 CZ ARG A 25 0.419 9.144 7.581 1.00 0.00 C ATOM 196 NH1 ARG A 25 1.521 9.856 7.444 1.00 0.00 N ATOM 197 NH2 ARG A 25 0.011 8.862 8.798 1.00 0.00 N ATOM 0 H ARG A 25 -0.981 5.979 1.449 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.630 8.379 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.346 8.065 2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.535 9.580 2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.973 8.667 4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.015 7.200 4.397 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.043 8.544 4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.081 10.009 4.913 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.116 8.167 6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.865 10.090 6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.029 10.173 8.270 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.836 8.312 8.937 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.542 9.193 9.603 1.00 0.00 H new ATOM 211 N VAL A 26 -1.713 9.340 -0.282 1.00 0.00 N ATOM 212 CA VAL A 26 -1.481 9.709 -1.693 1.00 0.00 C ATOM 213 C VAL A 26 -0.795 11.074 -1.763 1.00 0.00 C ATOM 214 O VAL A 26 -1.328 12.070 -1.275 1.00 0.00 O ATOM 215 CB VAL A 26 -2.799 9.752 -2.496 1.00 0.00 C ATOM 216 CG1 VAL A 26 -2.533 9.976 -3.995 1.00 0.00 C ATOM 217 CG2 VAL A 26 -3.625 8.469 -2.302 1.00 0.00 C ATOM 0 H VAL A 26 -2.286 10.019 0.219 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.841 8.946 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.374 10.594 -2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.481 10.001 -4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.011 10.923 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.918 9.163 -4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.545 8.537 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.046 7.609 -2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.870 8.350 -1.247 1.00 0.00 H new ATOM 227 N ASP A 27 0.381 11.121 -2.383 1.00 0.00 N ATOM 228 CA ASP A 27 1.198 12.328 -2.496 1.00 0.00 C ATOM 229 C ASP A 27 1.054 12.950 -3.893 1.00 0.00 C ATOM 230 O ASP A 27 1.621 12.462 -4.870 1.00 0.00 O ATOM 231 CB ASP A 27 2.652 11.971 -2.167 1.00 0.00 C ATOM 232 CG ASP A 27 3.539 13.222 -2.155 1.00 0.00 C ATOM 233 OD1 ASP A 27 3.655 13.865 -1.085 1.00 0.00 O ATOM 234 OD2 ASP A 27 4.095 13.565 -3.223 1.00 0.00 O ATOM 0 H ASP A 27 0.802 10.306 -2.830 1.00 0.00 H new ATOM 0 HA ASP A 27 0.857 13.081 -1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.698 11.480 -1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.030 11.260 -2.902 1.00 0.00 H new ATOM 239 N LYS A 28 0.287 14.040 -3.998 1.00 0.00 N ATOM 240 CA LYS A 28 0.050 14.741 -5.271 1.00 0.00 C ATOM 241 C LYS A 28 1.259 15.594 -5.724 1.00 0.00 C ATOM 242 O LYS A 28 1.432 15.839 -6.920 1.00 0.00 O ATOM 243 CB LYS A 28 -1.235 15.578 -5.111 1.00 0.00 C ATOM 244 CG LYS A 28 -1.774 16.107 -6.453 1.00 0.00 C ATOM 245 CD LYS A 28 -3.043 16.956 -6.292 1.00 0.00 C ATOM 246 CE LYS A 28 -4.254 16.118 -5.851 1.00 0.00 C ATOM 247 NZ LYS A 28 -5.444 16.971 -5.583 1.00 0.00 N ATOM 0 H LYS A 28 -0.190 14.465 -3.202 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.079 14.010 -6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.002 14.970 -4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.035 16.420 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.002 16.704 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.987 15.265 -7.111 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.861 17.742 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.270 17.449 -7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.495 15.390 -6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.000 15.555 -4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.241 16.372 -5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.222 17.649 -4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.702 17.489 -6.447 1.00 0.00 H new ATOM 261 N ASP A 29 2.114 16.006 -4.782 1.00 0.00 N ATOM 262 CA ASP A 29 3.285 16.864 -5.012 1.00 0.00 C ATOM 263 C ASP A 29 4.337 16.176 -5.906 1.00 0.00 C ATOM 264 O ASP A 29 4.828 16.771 -6.867 1.00 0.00 O ATOM 265 CB ASP A 29 3.872 17.241 -3.641 1.00 0.00 C ATOM 266 CG ASP A 29 4.896 18.382 -3.719 1.00 0.00 C ATOM 267 OD1 ASP A 29 6.076 18.121 -4.060 1.00 0.00 O ATOM 268 OD2 ASP A 29 4.521 19.538 -3.404 1.00 0.00 O ATOM 0 H ASP A 29 2.007 15.743 -3.802 1.00 0.00 H new ATOM 0 HA ASP A 29 2.979 17.763 -5.548 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.062 17.533 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.347 16.364 -3.202 1.00 0.00 H new ATOM 273 N SER A 30 4.639 14.906 -5.620 1.00 0.00 N ATOM 274 CA SER A 30 5.618 14.071 -6.336 1.00 0.00 C ATOM 275 C SER A 30 4.984 12.863 -7.078 1.00 0.00 C ATOM 276 O SER A 30 5.686 12.130 -7.781 1.00 0.00 O ATOM 277 CB SER A 30 6.692 13.631 -5.326 1.00 0.00 C ATOM 278 OG SER A 30 7.904 13.245 -5.965 1.00 0.00 O ATOM 0 H SER A 30 4.191 14.407 -4.851 1.00 0.00 H new ATOM 0 HA SER A 30 6.067 14.666 -7.132 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.893 14.448 -4.633 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.313 12.797 -4.735 1.00 0.00 H new ATOM 0 HG SER A 30 7.698 12.758 -6.790 1.00 0.00 H new ATOM 284 N ARG A 31 3.653 12.670 -6.957 1.00 0.00 N ATOM 285 CA ARG A 31 2.778 11.774 -7.749 1.00 0.00 C ATOM 286 C ARG A 31 2.726 10.316 -7.212 1.00 0.00 C ATOM 287 O ARG A 31 2.515 9.371 -7.978 1.00 0.00 O ATOM 288 CB ARG A 31 3.145 11.848 -9.252 1.00 0.00 C ATOM 289 CG ARG A 31 1.946 11.787 -10.214 1.00 0.00 C ATOM 290 CD ARG A 31 1.291 13.172 -10.375 1.00 0.00 C ATOM 291 NE ARG A 31 0.296 13.202 -11.466 1.00 0.00 N ATOM 292 CZ ARG A 31 0.542 13.251 -12.775 1.00 0.00 C ATOM 293 NH1 ARG A 31 1.764 13.240 -13.266 1.00 0.00 N ATOM 294 NH2 ARG A 31 -0.460 13.318 -13.624 1.00 0.00 N ATOM 0 H ARG A 31 3.120 13.175 -6.249 1.00 0.00 H new ATOM 0 HA ARG A 31 1.758 12.141 -7.633 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.691 12.774 -9.433 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.823 11.027 -9.487 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.275 11.422 -11.187 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.211 11.075 -9.838 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.808 13.453 -9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.064 13.915 -10.571 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.685 13.183 -11.188 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.566 13.193 -12.637 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.909 13.279 -14.275 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.420 13.332 -13.280 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.277 13.356 -14.627 1.00 0.00 H new ATOM 308 N GLU A 32 2.945 10.121 -5.908 1.00 0.00 N ATOM 309 CA GLU A 32 3.290 8.832 -5.272 1.00 0.00 C ATOM 310 C GLU A 32 2.123 8.251 -4.430 1.00 0.00 C ATOM 311 O GLU A 32 1.131 8.945 -4.198 1.00 0.00 O ATOM 312 CB GLU A 32 4.560 9.016 -4.409 1.00 0.00 C ATOM 313 CG GLU A 32 5.678 9.789 -5.126 1.00 0.00 C ATOM 314 CD GLU A 32 7.027 9.690 -4.401 1.00 0.00 C ATOM 315 OE1 GLU A 32 7.134 10.132 -3.234 1.00 0.00 O ATOM 316 OE2 GLU A 32 8.003 9.170 -4.994 1.00 0.00 O ATOM 0 H GLU A 32 2.886 10.884 -5.233 1.00 0.00 H new ATOM 0 HA GLU A 32 3.483 8.106 -6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.294 9.543 -3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.936 8.036 -4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.787 9.405 -6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.392 10.837 -5.211 1.00 0.00 H new ATOM 323 N VAL A 33 2.235 7.003 -3.943 1.00 0.00 N ATOM 324 CA VAL A 33 1.256 6.391 -3.002 1.00 0.00 C ATOM 325 C VAL A 33 1.969 5.500 -1.980 1.00 0.00 C ATOM 326 O VAL A 33 2.796 4.663 -2.320 1.00 0.00 O ATOM 327 CB VAL A 33 0.080 5.648 -3.707 1.00 0.00 C ATOM 328 CG1 VAL A 33 0.558 4.565 -4.694 1.00 0.00 C ATOM 329 CG2 VAL A 33 -0.920 5.015 -2.722 1.00 0.00 C ATOM 0 H VAL A 33 3.006 6.381 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 33 0.785 7.218 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.431 6.434 -4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.306 4.084 -5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.171 5.024 -5.469 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.147 3.820 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.712 4.515 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.403 4.289 -2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.354 5.793 -2.094 1.00 0.00 H new ATOM 339 N TYR A 34 1.673 5.697 -0.698 1.00 0.00 N ATOM 340 CA TYR A 34 2.304 4.998 0.421 1.00 0.00 C ATOM 341 C TYR A 34 1.315 3.989 1.018 1.00 0.00 C ATOM 342 O TYR A 34 0.159 4.335 1.227 1.00 0.00 O ATOM 343 CB TYR A 34 2.742 6.013 1.498 1.00 0.00 C ATOM 344 CG TYR A 34 3.452 7.294 1.064 1.00 0.00 C ATOM 345 CD1 TYR A 34 4.178 7.389 -0.143 1.00 0.00 C ATOM 346 CD2 TYR A 34 3.389 8.417 1.914 1.00 0.00 C ATOM 347 CE1 TYR A 34 4.818 8.591 -0.500 1.00 0.00 C ATOM 348 CE2 TYR A 34 4.024 9.623 1.564 1.00 0.00 C ATOM 349 CZ TYR A 34 4.742 9.715 0.351 1.00 0.00 C ATOM 350 OH TYR A 34 5.369 10.875 0.005 1.00 0.00 O ATOM 0 H TYR A 34 0.966 6.368 -0.399 1.00 0.00 H new ATOM 0 HA TYR A 34 3.186 4.466 0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.853 6.303 2.058 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.400 5.492 2.193 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.243 6.533 -0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.847 8.351 2.846 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.368 8.653 -1.427 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.962 10.477 2.222 1.00 0.00 H new ATOM 0 HH TYR A 34 5.216 11.549 0.700 1.00 0.00 H new ATOM 360 N MET A 35 1.762 2.771 1.327 1.00 0.00 N ATOM 361 CA MET A 35 1.045 1.768 2.116 1.00 0.00 C ATOM 362 C MET A 35 1.728 1.636 3.483 1.00 0.00 C ATOM 363 O MET A 35 2.932 1.853 3.602 1.00 0.00 O ATOM 364 CB MET A 35 1.051 0.445 1.327 1.00 0.00 C ATOM 365 CG MET A 35 0.311 -0.706 2.023 1.00 0.00 C ATOM 366 SD MET A 35 0.185 -2.209 1.023 1.00 0.00 S ATOM 367 CE MET A 35 -0.835 -3.192 2.150 1.00 0.00 C ATOM 0 H MET A 35 2.677 2.441 1.019 1.00 0.00 H new ATOM 0 HA MET A 35 0.008 2.055 2.293 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.598 0.615 0.350 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.084 0.144 1.151 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.824 -0.944 2.955 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.692 -0.372 2.287 1.00 0.00 H new ATOM 0 HE1 MET A 35 -1.027 -4.170 1.708 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.312 -3.319 3.098 1.00 0.00 H new ATOM 0 HE3 MET A 35 -1.782 -2.680 2.324 1.00 0.00 H new ATOM 377 N HIS A 36 0.991 1.211 4.507 1.00 0.00 N ATOM 378 CA HIS A 36 1.499 1.102 5.885 1.00 0.00 C ATOM 379 C HIS A 36 2.763 0.213 6.051 1.00 0.00 C ATOM 380 O HIS A 36 3.532 0.405 6.996 1.00 0.00 O ATOM 381 CB HIS A 36 0.338 0.622 6.768 1.00 0.00 C ATOM 382 CG HIS A 36 0.621 0.739 8.243 1.00 0.00 C ATOM 383 ND1 HIS A 36 0.845 1.937 8.927 1.00 0.00 N ATOM 384 CD2 HIS A 36 0.689 -0.297 9.126 1.00 0.00 C ATOM 385 CE1 HIS A 36 1.049 1.587 10.209 1.00 0.00 C ATOM 386 NE2 HIS A 36 0.962 0.253 10.359 1.00 0.00 N ATOM 0 H HIS A 36 0.016 0.929 4.409 1.00 0.00 H new ATOM 0 HA HIS A 36 1.849 2.087 6.194 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.554 1.201 6.530 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.116 -0.418 6.529 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.555 -1.345 8.902 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.255 2.282 11.009 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.078 -0.261 11.232 1.00 0.00 H new ATOM 394 N GLU A 37 3.000 -0.725 5.118 1.00 0.00 N ATOM 395 CA GLU A 37 4.189 -1.596 5.081 1.00 0.00 C ATOM 396 C GLU A 37 5.259 -1.163 4.057 1.00 0.00 C ATOM 397 O GLU A 37 6.381 -1.662 4.138 1.00 0.00 O ATOM 398 CB GLU A 37 3.764 -3.062 4.831 1.00 0.00 C ATOM 399 CG GLU A 37 2.839 -3.623 5.924 1.00 0.00 C ATOM 400 CD GLU A 37 3.437 -3.541 7.344 1.00 0.00 C ATOM 401 OE1 GLU A 37 4.650 -3.801 7.529 1.00 0.00 O ATOM 402 OE2 GLU A 37 2.680 -3.239 8.296 1.00 0.00 O ATOM 0 H GLU A 37 2.354 -0.903 4.349 1.00 0.00 H new ATOM 0 HA GLU A 37 4.663 -1.503 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.258 -3.127 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.656 -3.685 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.896 -3.077 5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.610 -4.664 5.695 1.00 0.00 H new ATOM 409 N LYS A 38 4.974 -0.245 3.115 1.00 0.00 N ATOM 410 CA LYS A 38 5.954 0.250 2.121 1.00 0.00 C ATOM 411 C LYS A 38 5.553 1.520 1.347 1.00 0.00 C ATOM 412 O LYS A 38 4.398 1.713 0.970 1.00 0.00 O ATOM 413 CB LYS A 38 6.405 -0.858 1.133 1.00 0.00 C ATOM 414 CG LYS A 38 5.332 -1.545 0.273 1.00 0.00 C ATOM 415 CD LYS A 38 4.556 -2.644 1.023 1.00 0.00 C ATOM 416 CE LYS A 38 4.052 -3.731 0.058 1.00 0.00 C ATOM 417 NZ LYS A 38 2.975 -3.235 -0.857 1.00 0.00 N ATOM 0 H LYS A 38 4.051 0.179 3.019 1.00 0.00 H new ATOM 0 HA LYS A 38 6.796 0.549 2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.143 -0.423 0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.915 -1.630 1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.628 -0.794 -0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.806 -1.981 -0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.199 -3.095 1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.710 -2.201 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.888 -4.099 -0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.674 -4.576 0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.683 -4.001 -1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.158 -2.924 -0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.335 -2.435 -1.416 1.00 0.00 H new ATOM 431 N LYS A 39 6.547 2.348 1.005 1.00 0.00 N ATOM 432 CA LYS A 39 6.395 3.507 0.104 1.00 0.00 C ATOM 433 C LYS A 39 6.426 3.066 -1.378 1.00 0.00 C ATOM 434 O LYS A 39 7.300 2.283 -1.751 1.00 0.00 O ATOM 435 CB LYS A 39 7.506 4.519 0.465 1.00 0.00 C ATOM 436 CG LYS A 39 7.478 5.818 -0.358 1.00 0.00 C ATOM 437 CD LYS A 39 8.488 5.830 -1.516 1.00 0.00 C ATOM 438 CE LYS A 39 8.252 7.088 -2.360 1.00 0.00 C ATOM 439 NZ LYS A 39 9.263 7.247 -3.439 1.00 0.00 N ATOM 0 H LYS A 39 7.500 2.233 1.351 1.00 0.00 H new ATOM 0 HA LYS A 39 5.425 3.986 0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.420 4.772 1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.475 4.039 0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.475 5.963 -0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.683 6.661 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.507 5.820 -1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.371 4.936 -2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.257 7.043 -2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.274 7.965 -1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.892 7.885 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.136 7.648 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.470 6.319 -3.861 1.00 0.00 H new ATOM 453 N LEU A 40 5.515 3.573 -2.225 1.00 0.00 N ATOM 454 CA LEU A 40 5.458 3.267 -3.664 1.00 0.00 C ATOM 455 C LEU A 40 5.222 4.512 -4.528 1.00 0.00 C ATOM 456 O LEU A 40 4.754 5.559 -4.087 1.00 0.00 O ATOM 457 CB LEU A 40 4.361 2.209 -3.929 1.00 0.00 C ATOM 458 CG LEU A 40 4.741 0.776 -3.521 1.00 0.00 C ATOM 459 CD1 LEU A 40 3.529 -0.140 -3.689 1.00 0.00 C ATOM 460 CD2 LEU A 40 5.874 0.226 -4.393 1.00 0.00 C ATOM 0 H LEU A 40 4.785 4.218 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 40 6.432 2.870 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.458 2.498 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.116 2.217 -4.991 1.00 0.00 H new ATOM 0 HG LEU A 40 5.071 0.805 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.798 -1.156 -3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.715 0.214 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.209 -0.132 -4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.117 -0.788 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.558 0.215 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.755 0.859 -4.287 1.00 0.00 H new ATOM 472 N ASP A 41 5.532 4.347 -5.804 1.00 0.00 N ATOM 473 CA ASP A 41 5.389 5.320 -6.882 1.00 0.00 C ATOM 474 C ASP A 41 5.424 4.550 -8.210 1.00 0.00 C ATOM 475 O ASP A 41 6.159 3.567 -8.327 1.00 0.00 O ATOM 476 CB ASP A 41 6.532 6.343 -6.803 1.00 0.00 C ATOM 477 CG ASP A 41 6.615 7.224 -8.060 1.00 0.00 C ATOM 478 OD1 ASP A 41 5.615 7.905 -8.387 1.00 0.00 O ATOM 479 OD2 ASP A 41 7.668 7.183 -8.742 1.00 0.00 O ATOM 0 H ASP A 41 5.919 3.465 -6.141 1.00 0.00 H new ATOM 0 HA ASP A 41 4.449 5.866 -6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.390 6.976 -5.927 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.478 5.818 -6.667 1.00 0.00 H new ATOM 484 N LEU A 42 4.641 4.980 -9.204 1.00 0.00 N ATOM 485 CA LEU A 42 4.544 4.313 -10.506 1.00 0.00 C ATOM 486 C LEU A 42 4.062 5.330 -11.553 1.00 0.00 C ATOM 487 O LEU A 42 4.890 6.092 -12.053 1.00 0.00 O ATOM 488 CB LEU A 42 3.714 3.011 -10.336 1.00 0.00 C ATOM 489 CG LEU A 42 3.869 1.922 -11.421 1.00 0.00 C ATOM 490 CD1 LEU A 42 5.309 1.717 -11.888 1.00 0.00 C ATOM 491 CD2 LEU A 42 3.396 0.585 -10.828 1.00 0.00 C ATOM 0 H LEU A 42 4.051 5.809 -9.127 1.00 0.00 H new ATOM 0 HA LEU A 42 5.503 3.971 -10.894 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.975 2.568 -9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.661 3.287 -10.284 1.00 0.00 H new ATOM 0 HG LEU A 42 3.283 2.250 -12.279 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.337 0.937 -12.649 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.691 2.648 -12.307 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.927 1.420 -11.041 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.496 -0.201 -11.577 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.005 0.337 -9.958 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.352 0.669 -10.528 1.00 0.00 H new ATOM 503 N THR A 43 2.747 5.411 -11.794 1.00 0.00 N ATOM 504 CA THR A 43 2.045 6.535 -12.459 1.00 0.00 C ATOM 505 C THR A 43 0.595 6.582 -11.976 1.00 0.00 C ATOM 506 O THR A 43 0.164 5.702 -11.233 1.00 0.00 O ATOM 507 CB THR A 43 2.151 6.517 -14.006 1.00 0.00 C ATOM 508 OG1 THR A 43 2.385 5.224 -14.500 1.00 0.00 O ATOM 509 CG2 THR A 43 3.245 7.444 -14.542 1.00 0.00 C ATOM 0 H THR A 43 2.107 4.665 -11.521 1.00 0.00 H new ATOM 0 HA THR A 43 2.551 7.455 -12.168 1.00 0.00 H new ATOM 0 HB THR A 43 1.185 6.878 -14.357 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.533 4.812 -14.755 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.269 7.387 -15.630 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.035 8.469 -14.237 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.211 7.137 -14.141 1.00 0.00 H new ATOM 517 N ARG A 44 -0.154 7.631 -12.337 1.00 0.00 N ATOM 518 CA ARG A 44 -1.449 7.954 -11.713 1.00 0.00 C ATOM 519 C ARG A 44 -2.487 6.819 -11.822 1.00 0.00 C ATOM 520 O ARG A 44 -3.164 6.502 -10.845 1.00 0.00 O ATOM 521 CB ARG A 44 -1.982 9.262 -12.330 1.00 0.00 C ATOM 522 CG ARG A 44 -3.061 9.964 -11.484 1.00 0.00 C ATOM 523 CD ARG A 44 -2.493 10.641 -10.227 1.00 0.00 C ATOM 524 NE ARG A 44 -3.567 11.280 -9.441 1.00 0.00 N ATOM 525 CZ ARG A 44 -3.514 11.668 -8.171 1.00 0.00 C ATOM 526 NH1 ARG A 44 -2.424 11.545 -7.439 1.00 0.00 N ATOM 527 NH2 ARG A 44 -4.586 12.183 -7.609 1.00 0.00 N ATOM 0 H ARG A 44 0.119 8.283 -13.072 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.282 8.082 -10.644 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.148 9.948 -12.477 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.393 9.045 -13.316 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.565 10.712 -12.096 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.814 9.234 -11.188 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.978 9.902 -9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.753 11.388 -10.514 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.449 11.442 -9.927 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.580 11.140 -7.844 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.424 11.855 -6.467 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.447 12.281 -8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.556 12.484 -6.635 1.00 0.00 H new ATOM 541 N ALA A 45 -2.591 6.160 -12.979 1.00 0.00 N ATOM 542 CA ALA A 45 -3.519 5.039 -13.163 1.00 0.00 C ATOM 543 C ALA A 45 -3.127 3.831 -12.292 1.00 0.00 C ATOM 544 O ALA A 45 -3.988 3.232 -11.647 1.00 0.00 O ATOM 545 CB ALA A 45 -3.571 4.698 -14.656 1.00 0.00 C ATOM 0 H ALA A 45 -2.041 6.385 -13.808 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.518 5.323 -12.831 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.256 3.866 -14.815 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.918 5.566 -15.216 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.575 4.419 -15.000 1.00 0.00 H new ATOM 551 N GLU A 46 -1.832 3.518 -12.211 1.00 0.00 N ATOM 552 CA GLU A 46 -1.265 2.426 -11.431 1.00 0.00 C ATOM 553 C GLU A 46 -1.447 2.651 -9.922 1.00 0.00 C ATOM 554 O GLU A 46 -1.802 1.739 -9.172 1.00 0.00 O ATOM 555 CB GLU A 46 0.212 2.308 -11.793 1.00 0.00 C ATOM 556 CG GLU A 46 0.421 1.834 -13.240 1.00 0.00 C ATOM 557 CD GLU A 46 0.106 2.873 -14.337 1.00 0.00 C ATOM 558 OE1 GLU A 46 0.141 4.092 -14.049 1.00 0.00 O ATOM 559 OE2 GLU A 46 -0.171 2.482 -15.493 1.00 0.00 O ATOM 0 H GLU A 46 -1.119 4.047 -12.713 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.787 1.499 -11.668 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.696 3.275 -11.656 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.697 1.610 -11.111 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.458 1.517 -13.353 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.201 0.955 -13.408 1.00 0.00 H new ATOM 566 N TYR A 47 -1.288 3.907 -9.503 1.00 0.00 N ATOM 567 CA TYR A 47 -1.715 4.382 -8.181 1.00 0.00 C ATOM 568 C TYR A 47 -3.201 4.071 -7.936 1.00 0.00 C ATOM 569 O TYR A 47 -3.505 3.456 -6.913 1.00 0.00 O ATOM 570 CB TYR A 47 -1.401 5.883 -7.976 1.00 0.00 C ATOM 571 CG TYR A 47 -2.484 6.686 -7.254 1.00 0.00 C ATOM 572 CD1 TYR A 47 -2.911 6.321 -5.962 1.00 0.00 C ATOM 573 CD2 TYR A 47 -3.155 7.728 -7.924 1.00 0.00 C ATOM 574 CE1 TYR A 47 -4.008 6.965 -5.359 1.00 0.00 C ATOM 575 CE2 TYR A 47 -4.255 8.374 -7.333 1.00 0.00 C ATOM 576 CZ TYR A 47 -4.692 7.992 -6.048 1.00 0.00 C ATOM 577 OH TYR A 47 -5.776 8.605 -5.491 1.00 0.00 O ATOM 0 H TYR A 47 -0.855 4.632 -10.075 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.136 3.837 -7.435 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.472 5.969 -7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.225 6.337 -8.951 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.391 5.539 -5.429 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.820 8.034 -8.904 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.327 6.674 -4.369 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.766 9.164 -7.864 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.118 9.287 -6.106 1.00 0.00 H new ATOM 587 N GLU A 48 -4.093 4.466 -8.856 1.00 0.00 N ATOM 588 CA GLU A 48 -5.537 4.241 -8.728 1.00 0.00 C ATOM 589 C GLU A 48 -5.842 2.763 -8.459 1.00 0.00 C ATOM 590 O GLU A 48 -6.633 2.440 -7.572 1.00 0.00 O ATOM 591 CB GLU A 48 -6.289 4.673 -10.000 1.00 0.00 C ATOM 592 CG GLU A 48 -7.752 5.008 -9.703 1.00 0.00 C ATOM 593 CD GLU A 48 -7.919 6.386 -9.041 1.00 0.00 C ATOM 594 OE1 GLU A 48 -7.697 7.418 -9.719 1.00 0.00 O ATOM 595 OE2 GLU A 48 -8.323 6.452 -7.855 1.00 0.00 O ATOM 0 H GLU A 48 -3.830 4.953 -9.713 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.876 4.846 -7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.797 5.542 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.241 3.875 -10.741 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.323 4.983 -10.631 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.171 4.242 -9.051 1.00 0.00 H new ATOM 602 N ILE A 49 -5.182 1.857 -9.196 1.00 0.00 N ATOM 603 CA ILE A 49 -5.335 0.415 -8.944 1.00 0.00 C ATOM 604 C ILE A 49 -4.865 0.054 -7.545 1.00 0.00 C ATOM 605 O ILE A 49 -5.614 -0.600 -6.834 1.00 0.00 O ATOM 606 CB ILE A 49 -4.628 -0.522 -9.957 1.00 0.00 C ATOM 607 CG1 ILE A 49 -4.160 0.195 -11.220 1.00 0.00 C ATOM 608 CG2 ILE A 49 -5.549 -1.700 -10.312 1.00 0.00 C ATOM 609 CD1 ILE A 49 -3.344 -0.664 -12.181 1.00 0.00 C ATOM 0 H ILE A 49 -4.547 2.091 -9.959 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.405 0.245 -9.062 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.727 -0.893 -9.469 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.034 0.576 -11.749 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.561 1.058 -10.930 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.045 -2.354 -11.024 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.786 -2.262 -9.408 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.470 -1.321 -10.756 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.057 -0.068 -13.047 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.448 -1.024 -11.676 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.943 -1.514 -12.508 1.00 0.00 H new ATOM 621 N LEU A 50 -3.646 0.439 -7.150 1.00 0.00 N ATOM 622 CA LEU A 50 -3.069 -0.001 -5.880 1.00 0.00 C ATOM 623 C LEU A 50 -3.842 0.532 -4.654 1.00 0.00 C ATOM 624 O LEU A 50 -4.131 -0.228 -3.728 1.00 0.00 O ATOM 625 CB LEU A 50 -1.582 0.386 -5.891 1.00 0.00 C ATOM 626 CG LEU A 50 -0.789 -0.285 -4.753 1.00 0.00 C ATOM 627 CD1 LEU A 50 0.570 -0.753 -5.283 1.00 0.00 C ATOM 628 CD2 LEU A 50 -0.576 0.674 -3.572 1.00 0.00 C ATOM 0 H LEU A 50 -3.042 1.055 -7.694 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.157 -1.083 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.144 0.106 -6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.491 1.469 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.367 -1.138 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.131 -1.228 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.419 -1.469 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.129 0.104 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.013 0.167 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.020 1.549 -3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.543 0.988 -3.179 1.00 0.00 H new ATOM 640 N SER A 51 -4.231 1.807 -4.644 1.00 0.00 N ATOM 641 CA SER A 51 -5.125 2.345 -3.610 1.00 0.00 C ATOM 642 C SER A 51 -6.491 1.644 -3.584 1.00 0.00 C ATOM 643 O SER A 51 -6.910 1.194 -2.510 1.00 0.00 O ATOM 644 CB SER A 51 -5.298 3.860 -3.772 1.00 0.00 C ATOM 645 OG SER A 51 -5.858 4.204 -5.030 1.00 0.00 O ATOM 0 H SER A 51 -3.941 2.492 -5.342 1.00 0.00 H new ATOM 0 HA SER A 51 -4.648 2.145 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.939 4.238 -2.975 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.330 4.348 -3.661 1.00 0.00 H new ATOM 0 HG SER A 51 -5.449 5.034 -5.354 1.00 0.00 H new ATOM 651 N LEU A 52 -7.168 1.467 -4.732 1.00 0.00 N ATOM 652 CA LEU A 52 -8.460 0.775 -4.759 1.00 0.00 C ATOM 653 C LEU A 52 -8.310 -0.688 -4.332 1.00 0.00 C ATOM 654 O LEU A 52 -9.163 -1.197 -3.615 1.00 0.00 O ATOM 655 CB LEU A 52 -9.067 0.882 -6.164 1.00 0.00 C ATOM 656 CG LEU A 52 -10.605 0.786 -6.292 1.00 0.00 C ATOM 657 CD1 LEU A 52 -11.180 -0.599 -5.976 1.00 0.00 C ATOM 658 CD2 LEU A 52 -11.335 1.853 -5.461 1.00 0.00 C ATOM 0 H LEU A 52 -6.843 1.791 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.133 1.252 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.754 1.834 -6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.630 0.096 -6.779 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.789 0.974 -7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.264 -0.578 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.757 -1.334 -6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.928 -0.872 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.412 1.739 -5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.079 1.732 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.033 2.845 -5.797 1.00 0.00 H new ATOM 670 N LEU A 53 -7.217 -1.352 -4.716 1.00 0.00 N ATOM 671 CA LEU A 53 -6.887 -2.721 -4.324 1.00 0.00 C ATOM 672 C LEU A 53 -6.805 -2.839 -2.799 1.00 0.00 C ATOM 673 O LEU A 53 -7.417 -3.732 -2.219 1.00 0.00 O ATOM 674 CB LEU A 53 -5.561 -3.102 -4.995 1.00 0.00 C ATOM 675 CG LEU A 53 -5.144 -4.564 -4.797 1.00 0.00 C ATOM 676 CD1 LEU A 53 -5.829 -5.479 -5.823 1.00 0.00 C ATOM 677 CD2 LEU A 53 -3.622 -4.641 -4.899 1.00 0.00 C ATOM 0 H LEU A 53 -6.515 -0.936 -5.329 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.666 -3.409 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.639 -2.901 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.773 -2.457 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.461 -4.914 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.515 -6.510 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.911 -5.407 -5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.549 -5.170 -6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.300 -5.673 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.305 -4.290 -5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.174 -4.015 -4.128 1.00 0.00 H new ATOM 689 N ILE A 54 -6.096 -1.920 -2.137 1.00 0.00 N ATOM 690 CA ILE A 54 -6.042 -1.886 -0.666 1.00 0.00 C ATOM 691 C ILE A 54 -7.427 -1.580 -0.059 1.00 0.00 C ATOM 692 O ILE A 54 -7.798 -2.210 0.933 1.00 0.00 O ATOM 693 CB ILE A 54 -4.938 -0.905 -0.204 1.00 0.00 C ATOM 694 CG1 ILE A 54 -3.534 -1.386 -0.648 1.00 0.00 C ATOM 695 CG2 ILE A 54 -4.953 -0.748 1.326 1.00 0.00 C ATOM 696 CD1 ILE A 54 -2.466 -0.287 -0.563 1.00 0.00 C ATOM 0 H ILE A 54 -5.551 -1.189 -2.593 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.772 -2.873 -0.291 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.147 0.057 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.231 -2.228 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.589 -1.752 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.169 -0.054 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.922 -0.361 1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.779 -1.717 1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.505 -0.687 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.748 0.545 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.385 0.062 0.466 1.00 0.00 H new ATOM 708 N SER A 55 -8.223 -0.685 -0.654 1.00 0.00 N ATOM 709 CA SER A 55 -9.608 -0.435 -0.211 1.00 0.00 C ATOM 710 C SER A 55 -10.539 -1.665 -0.335 1.00 0.00 C ATOM 711 O SER A 55 -11.286 -1.958 0.604 1.00 0.00 O ATOM 712 CB SER A 55 -10.248 0.718 -1.005 1.00 0.00 C ATOM 713 OG SER A 55 -9.707 1.989 -0.667 1.00 0.00 O ATOM 0 H SER A 55 -7.933 -0.116 -1.449 1.00 0.00 H new ATOM 0 HA SER A 55 -9.515 -0.181 0.845 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.107 0.541 -2.071 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.323 0.726 -0.822 1.00 0.00 H new ATOM 0 HG SER A 55 -10.146 2.684 -1.200 1.00 0.00 H new ATOM 719 N LYS A 56 -10.535 -2.385 -1.471 1.00 0.00 N ATOM 720 CA LYS A 56 -11.451 -3.515 -1.725 1.00 0.00 C ATOM 721 C LYS A 56 -11.027 -4.811 -1.010 1.00 0.00 C ATOM 722 O LYS A 56 -11.898 -5.561 -0.564 1.00 0.00 O ATOM 723 CB LYS A 56 -11.690 -3.714 -3.242 1.00 0.00 C ATOM 724 CG LYS A 56 -10.524 -4.271 -4.090 1.00 0.00 C ATOM 725 CD LYS A 56 -10.945 -4.418 -5.566 1.00 0.00 C ATOM 726 CE LYS A 56 -9.802 -4.810 -6.531 1.00 0.00 C ATOM 727 NZ LYS A 56 -10.336 -5.109 -7.889 1.00 0.00 N ATOM 0 H LYS A 56 -9.894 -2.200 -2.243 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.410 -3.250 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.541 -4.385 -3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.981 -2.752 -3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.664 -3.605 -4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.212 -5.239 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.731 -5.170 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.377 -3.475 -5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.076 -3.999 -6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.275 -5.681 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.562 -5.435 -8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.061 -5.852 -7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.759 -4.249 -8.293 1.00 0.00 H new ATOM 741 N LYS A 57 -9.706 -5.017 -0.904 1.00 0.00 N ATOM 742 CA LYS A 57 -8.889 -6.051 -0.231 1.00 0.00 C ATOM 743 C LYS A 57 -7.778 -6.576 -1.160 1.00 0.00 C ATOM 744 O LYS A 57 -7.961 -6.653 -2.378 1.00 0.00 O ATOM 745 CB LYS A 57 -9.673 -7.200 0.437 1.00 0.00 C ATOM 746 CG LYS A 57 -10.242 -8.251 -0.537 1.00 0.00 C ATOM 747 CD LYS A 57 -11.157 -9.275 0.152 1.00 0.00 C ATOM 748 CE LYS A 57 -12.466 -8.638 0.648 1.00 0.00 C ATOM 749 NZ LYS A 57 -13.379 -9.645 1.254 1.00 0.00 N ATOM 0 H LYS A 57 -9.082 -4.354 -1.364 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.432 -5.530 0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.017 -7.702 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.497 -6.773 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.801 -7.744 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.417 -8.776 -1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.388 -10.081 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.630 -9.723 0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.238 -7.866 1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.969 -8.147 -0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.249 -9.175 1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.617 -10.368 0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.909 -10.096 2.065 1.00 0.00 H new ATOM 763 N GLY A 58 -6.642 -6.970 -0.565 1.00 0.00 N ATOM 764 CA GLY A 58 -5.394 -7.260 -1.282 1.00 0.00 C ATOM 765 C GLY A 58 -5.555 -8.311 -2.378 1.00 0.00 C ATOM 766 O GLY A 58 -5.310 -8.004 -3.544 1.00 0.00 O ATOM 0 H GLY A 58 -6.565 -7.098 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.016 -6.339 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.644 -7.602 -0.568 1.00 0.00 H new ATOM 770 N TYR A 59 -6.006 -9.518 -2.010 1.00 0.00 N ATOM 771 CA TYR A 59 -6.417 -10.575 -2.936 1.00 0.00 C ATOM 772 C TYR A 59 -5.234 -10.952 -3.844 1.00 0.00 C ATOM 773 O TYR A 59 -4.073 -10.803 -3.458 1.00 0.00 O ATOM 774 CB TYR A 59 -7.723 -10.108 -3.624 1.00 0.00 C ATOM 775 CG TYR A 59 -8.426 -11.111 -4.522 1.00 0.00 C ATOM 776 CD1 TYR A 59 -8.843 -12.355 -4.008 1.00 0.00 C ATOM 777 CD2 TYR A 59 -8.619 -10.819 -5.887 1.00 0.00 C ATOM 778 CE1 TYR A 59 -9.443 -13.307 -4.855 1.00 0.00 C ATOM 779 CE2 TYR A 59 -9.215 -11.767 -6.739 1.00 0.00 C ATOM 780 CZ TYR A 59 -9.629 -13.017 -6.226 1.00 0.00 C ATOM 781 OH TYR A 59 -10.205 -13.935 -7.052 1.00 0.00 O ATOM 0 H TYR A 59 -6.096 -9.791 -1.031 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.667 -11.518 -2.449 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.423 -9.799 -2.848 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.495 -9.223 -4.218 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.702 -12.579 -2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.308 -9.863 -6.281 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.761 -14.259 -4.457 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.356 -11.539 -7.785 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.257 -13.571 -7.960 1.00 0.00 H new ATOM 791 N VAL A 60 -5.506 -11.441 -5.043 1.00 0.00 N ATOM 792 CA VAL A 60 -4.519 -11.502 -6.125 1.00 0.00 C ATOM 793 C VAL A 60 -4.748 -10.321 -7.078 1.00 0.00 C ATOM 794 O VAL A 60 -5.828 -10.140 -7.637 1.00 0.00 O ATOM 795 CB VAL A 60 -4.534 -12.863 -6.833 1.00 0.00 C ATOM 796 CG1 VAL A 60 -3.385 -12.946 -7.848 1.00 0.00 C ATOM 797 CG2 VAL A 60 -4.367 -14.026 -5.838 1.00 0.00 C ATOM 0 H VAL A 60 -6.421 -11.811 -5.301 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.515 -11.410 -5.710 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.500 -12.950 -7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.407 -13.917 -8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.498 -12.157 -8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.433 -12.824 -7.331 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.383 -14.972 -6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.417 -13.923 -5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.183 -14.007 -5.116 1.00 0.00 H new ATOM 807 N PHE A 61 -3.704 -9.504 -7.211 1.00 0.00 N ATOM 808 CA PHE A 61 -3.601 -8.293 -8.021 1.00 0.00 C ATOM 809 C PHE A 61 -3.279 -8.715 -9.465 1.00 0.00 C ATOM 810 O PHE A 61 -2.128 -8.990 -9.802 1.00 0.00 O ATOM 811 CB PHE A 61 -2.499 -7.452 -7.347 1.00 0.00 C ATOM 812 CG PHE A 61 -2.293 -5.990 -7.690 1.00 0.00 C ATOM 813 CD1 PHE A 61 -3.212 -5.233 -8.440 1.00 0.00 C ATOM 814 CD2 PHE A 61 -1.175 -5.350 -7.124 1.00 0.00 C ATOM 815 CE1 PHE A 61 -2.988 -3.857 -8.628 1.00 0.00 C ATOM 816 CE2 PHE A 61 -0.927 -3.987 -7.357 1.00 0.00 C ATOM 817 CZ PHE A 61 -1.838 -3.235 -8.114 1.00 0.00 C ATOM 0 H PHE A 61 -2.834 -9.689 -6.711 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.512 -7.698 -8.078 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.675 -7.503 -6.273 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.553 -7.958 -7.539 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.084 -5.705 -8.868 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.497 -5.915 -6.501 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.711 -3.270 -9.175 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.040 -3.520 -6.955 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.657 -2.187 -8.300 1.00 0.00 H new ATOM 827 N SER A 62 -4.326 -8.871 -10.277 1.00 0.00 N ATOM 828 CA SER A 62 -4.313 -9.628 -11.546 1.00 0.00 C ATOM 829 C SER A 62 -4.529 -8.754 -12.783 1.00 0.00 C ATOM 830 O SER A 62 -5.238 -7.757 -12.701 1.00 0.00 O ATOM 831 CB SER A 62 -5.497 -10.601 -11.538 1.00 0.00 C ATOM 832 OG SER A 62 -5.402 -11.539 -10.474 1.00 0.00 O ATOM 0 H SER A 62 -5.238 -8.464 -10.070 1.00 0.00 H new ATOM 0 HA SER A 62 -3.334 -10.104 -11.605 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.427 -10.041 -11.447 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.537 -11.133 -12.489 1.00 0.00 H new ATOM 0 HG SER A 62 -5.535 -11.079 -9.619 1.00 0.00 H new ATOM 838 N ARG A 63 -4.064 -9.190 -13.961 1.00 0.00 N ATOM 839 CA ARG A 63 -4.241 -8.488 -15.252 1.00 0.00 C ATOM 840 C ARG A 63 -5.685 -8.013 -15.559 1.00 0.00 C ATOM 841 O ARG A 63 -5.867 -6.885 -16.004 1.00 0.00 O ATOM 842 CB ARG A 63 -3.596 -9.334 -16.376 1.00 0.00 C ATOM 843 CG ARG A 63 -4.216 -10.722 -16.650 1.00 0.00 C ATOM 844 CD ARG A 63 -5.258 -10.756 -17.775 1.00 0.00 C ATOM 845 NE ARG A 63 -5.932 -12.068 -17.818 1.00 0.00 N ATOM 846 CZ ARG A 63 -7.233 -12.312 -17.963 1.00 0.00 C ATOM 847 NH1 ARG A 63 -8.110 -11.359 -18.194 1.00 0.00 N ATOM 848 NH2 ARG A 63 -7.684 -13.540 -17.862 1.00 0.00 N ATOM 0 H ARG A 63 -3.541 -10.061 -14.052 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.715 -7.536 -15.183 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.635 -8.757 -17.300 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.543 -9.475 -16.133 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.415 -11.419 -16.896 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.682 -11.083 -15.733 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.994 -9.968 -17.620 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.775 -10.558 -18.732 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.329 -12.886 -17.726 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.802 -10.389 -18.268 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.098 -11.590 -18.299 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.038 -14.306 -17.673 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.680 -13.728 -17.973 1.00 0.00 H new ATOM 862 N GLU A 64 -6.716 -8.813 -15.255 1.00 0.00 N ATOM 863 CA GLU A 64 -8.133 -8.413 -15.400 1.00 0.00 C ATOM 864 C GLU A 64 -8.572 -7.375 -14.351 1.00 0.00 C ATOM 865 O GLU A 64 -9.136 -6.343 -14.696 1.00 0.00 O ATOM 866 CB GLU A 64 -9.029 -9.663 -15.322 1.00 0.00 C ATOM 867 CG GLU A 64 -10.328 -9.493 -16.121 1.00 0.00 C ATOM 868 CD GLU A 64 -11.050 -10.838 -16.293 1.00 0.00 C ATOM 869 OE1 GLU A 64 -10.753 -11.560 -17.277 1.00 0.00 O ATOM 870 OE2 GLU A 64 -11.912 -11.183 -15.450 1.00 0.00 O ATOM 0 H GLU A 64 -6.596 -9.761 -14.899 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.239 -7.935 -16.374 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.481 -10.526 -15.701 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.270 -9.871 -14.280 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.983 -8.787 -15.610 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.104 -9.069 -17.100 1.00 0.00 H new ATOM 877 N SER A 65 -8.281 -7.597 -13.066 1.00 0.00 N ATOM 878 CA SER A 65 -8.567 -6.610 -11.999 1.00 0.00 C ATOM 879 C SER A 65 -7.877 -5.266 -12.297 1.00 0.00 C ATOM 880 O SER A 65 -8.486 -4.199 -12.221 1.00 0.00 O ATOM 881 CB SER A 65 -8.119 -7.177 -10.641 1.00 0.00 C ATOM 882 OG SER A 65 -8.259 -6.229 -9.587 1.00 0.00 O ATOM 0 H SER A 65 -7.844 -8.455 -12.729 1.00 0.00 H new ATOM 0 HA SER A 65 -9.640 -6.423 -11.963 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.707 -8.065 -10.409 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.078 -7.493 -10.707 1.00 0.00 H new ATOM 0 HG SER A 65 -7.965 -6.632 -8.743 1.00 0.00 H new ATOM 888 N ILE A 66 -6.619 -5.329 -12.736 1.00 0.00 N ATOM 889 CA ILE A 66 -5.842 -4.193 -13.276 1.00 0.00 C ATOM 890 C ILE A 66 -6.570 -3.470 -14.423 1.00 0.00 C ATOM 891 O ILE A 66 -6.719 -2.247 -14.385 1.00 0.00 O ATOM 892 CB ILE A 66 -4.459 -4.731 -13.706 1.00 0.00 C ATOM 893 CG1 ILE A 66 -3.636 -5.173 -12.475 1.00 0.00 C ATOM 894 CG2 ILE A 66 -3.700 -3.777 -14.632 1.00 0.00 C ATOM 895 CD1 ILE A 66 -2.611 -4.173 -11.940 1.00 0.00 C ATOM 0 H ILE A 66 -6.087 -6.199 -12.729 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.721 -3.434 -12.503 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.632 -5.619 -14.315 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.330 -5.413 -11.670 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.112 -6.095 -12.729 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.737 -4.215 -14.896 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.283 -3.609 -15.538 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.539 -2.827 -14.123 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.101 -4.601 -11.077 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.882 -3.948 -12.718 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.119 -3.256 -11.642 1.00 0.00 H new ATOM 907 N ALA A 67 -7.047 -4.222 -15.413 1.00 0.00 N ATOM 908 CA ALA A 67 -7.823 -3.732 -16.554 1.00 0.00 C ATOM 909 C ALA A 67 -9.147 -3.087 -16.129 1.00 0.00 C ATOM 910 O ALA A 67 -9.646 -2.212 -16.833 1.00 0.00 O ATOM 911 CB ALA A 67 -8.115 -4.894 -17.511 1.00 0.00 C ATOM 0 H ALA A 67 -6.898 -5.231 -15.445 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.225 -2.966 -17.047 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.693 -4.529 -18.360 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.176 -5.318 -17.866 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.685 -5.662 -16.988 1.00 0.00 H new ATOM 917 N ILE A 68 -9.718 -3.507 -14.996 1.00 0.00 N ATOM 918 CA ILE A 68 -10.940 -2.899 -14.443 1.00 0.00 C ATOM 919 C ILE A 68 -10.628 -1.622 -13.640 1.00 0.00 C ATOM 920 O ILE A 68 -11.356 -0.637 -13.789 1.00 0.00 O ATOM 921 CB ILE A 68 -11.746 -3.949 -13.638 1.00 0.00 C ATOM 922 CG1 ILE A 68 -12.297 -5.092 -14.530 1.00 0.00 C ATOM 923 CG2 ILE A 68 -12.906 -3.311 -12.853 1.00 0.00 C ATOM 924 CD1 ILE A 68 -13.322 -4.688 -15.601 1.00 0.00 C ATOM 0 H ILE A 68 -9.350 -4.275 -14.435 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.575 -2.575 -15.268 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.035 -4.378 -12.932 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.455 -5.574 -15.027 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.755 -5.840 -13.883 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.443 -4.085 -12.304 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.510 -2.577 -12.152 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.588 -2.819 -13.547 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.632 -5.571 -16.159 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -14.191 -4.238 -15.121 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.871 -3.968 -16.283 1.00 0.00 H new ATOM 936 N GLU A 69 -9.563 -1.602 -12.825 1.00 0.00 N ATOM 937 CA GLU A 69 -9.303 -0.489 -11.899 1.00 0.00 C ATOM 938 C GLU A 69 -8.319 0.595 -12.404 1.00 0.00 C ATOM 939 O GLU A 69 -8.476 1.747 -11.998 1.00 0.00 O ATOM 940 CB GLU A 69 -8.866 -1.020 -10.525 1.00 0.00 C ATOM 941 CG GLU A 69 -9.887 -0.782 -9.417 1.00 0.00 C ATOM 942 CD GLU A 69 -11.171 -1.610 -9.568 1.00 0.00 C ATOM 943 OE1 GLU A 69 -11.127 -2.837 -9.314 1.00 0.00 O ATOM 944 OE2 GLU A 69 -12.235 -1.023 -9.878 1.00 0.00 O ATOM 0 H GLU A 69 -8.866 -2.346 -12.788 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.259 0.029 -11.820 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.673 -2.090 -10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.925 -0.547 -10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.427 -1.014 -8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.148 0.276 -9.398 1.00 0.00 H new ATOM 951 N SER A 70 -7.341 0.306 -13.281 1.00 0.00 N ATOM 952 CA SER A 70 -6.660 1.393 -14.032 1.00 0.00 C ATOM 953 C SER A 70 -7.464 1.720 -15.298 1.00 0.00 C ATOM 954 O SER A 70 -7.922 2.855 -15.457 1.00 0.00 O ATOM 955 CB SER A 70 -5.178 1.083 -14.353 1.00 0.00 C ATOM 956 OG SER A 70 -4.792 1.487 -15.666 1.00 0.00 O ATOM 0 H SER A 70 -7.008 -0.636 -13.488 1.00 0.00 H new ATOM 0 HA SER A 70 -6.630 2.272 -13.388 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.542 1.585 -13.624 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.005 0.012 -14.244 1.00 0.00 H new ATOM 0 HG SER A 70 -3.848 1.268 -15.811 1.00 0.00 H new ATOM 962 N GLU A 71 -7.633 0.728 -16.187 1.00 0.00 N ATOM 963 CA GLU A 71 -8.472 0.788 -17.394 1.00 0.00 C ATOM 964 C GLU A 71 -7.982 1.814 -18.447 1.00 0.00 C ATOM 965 O GLU A 71 -8.607 2.005 -19.489 1.00 0.00 O ATOM 966 CB GLU A 71 -9.940 0.972 -16.960 1.00 0.00 C ATOM 967 CG GLU A 71 -10.963 0.586 -18.037 1.00 0.00 C ATOM 968 CD GLU A 71 -12.393 0.573 -17.473 1.00 0.00 C ATOM 969 OE1 GLU A 71 -12.925 1.660 -17.135 1.00 0.00 O ATOM 970 OE2 GLU A 71 -13.021 -0.510 -17.407 1.00 0.00 O ATOM 0 H GLU A 71 -7.170 -0.174 -16.080 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.388 -0.156 -17.932 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.122 0.372 -16.069 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.098 2.014 -16.681 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.904 1.291 -18.866 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.719 -0.398 -18.437 1.00 0.00 H new ATOM 977 N SER A 72 -6.819 2.442 -18.246 1.00 0.00 N ATOM 978 CA SER A 72 -6.207 3.416 -19.174 1.00 0.00 C ATOM 979 C SER A 72 -5.494 2.727 -20.366 1.00 0.00 C ATOM 980 O SER A 72 -4.478 3.203 -20.879 1.00 0.00 O ATOM 981 CB SER A 72 -5.262 4.342 -18.385 1.00 0.00 C ATOM 982 OG SER A 72 -5.980 5.141 -17.445 1.00 0.00 O ATOM 0 H SER A 72 -6.256 2.286 -17.410 1.00 0.00 H new ATOM 0 HA SER A 72 -6.998 4.019 -19.620 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.517 3.743 -17.861 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.722 4.989 -19.077 1.00 0.00 H new ATOM 0 HG SER A 72 -5.353 5.717 -16.959 1.00 0.00 H new ATOM 988 N ILE A 73 -6.002 1.557 -20.771 1.00 0.00 N ATOM 989 CA ILE A 73 -5.362 0.546 -21.630 1.00 0.00 C ATOM 990 C ILE A 73 -6.414 -0.033 -22.594 1.00 0.00 C ATOM 991 O ILE A 73 -7.549 -0.300 -22.191 1.00 0.00 O ATOM 992 CB ILE A 73 -4.758 -0.570 -20.736 1.00 0.00 C ATOM 993 CG1 ILE A 73 -3.743 -0.052 -19.689 1.00 0.00 C ATOM 994 CG2 ILE A 73 -4.132 -1.696 -21.580 1.00 0.00 C ATOM 995 CD1 ILE A 73 -2.391 0.421 -20.240 1.00 0.00 C ATOM 0 H ILE A 73 -6.939 1.268 -20.488 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.561 0.995 -22.216 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.601 -0.974 -20.176 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.201 0.775 -19.146 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.560 -0.846 -18.965 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.719 -2.459 -20.920 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.896 -2.142 -22.217 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.336 -1.285 -22.202 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.762 0.761 -19.418 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.899 -0.404 -20.755 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.550 1.242 -20.939 1.00 0.00 H new ATOM 1007 N ASN A 74 -6.051 -0.228 -23.868 1.00 0.00 N ATOM 1008 CA ASN A 74 -6.997 -0.634 -24.919 1.00 0.00 C ATOM 1009 C ASN A 74 -7.535 -2.084 -24.773 1.00 0.00 C ATOM 1010 O ASN A 74 -8.762 -2.237 -24.734 1.00 0.00 O ATOM 1011 CB ASN A 74 -6.388 -0.352 -26.307 1.00 0.00 C ATOM 1012 CG ASN A 74 -6.202 1.144 -26.557 1.00 0.00 C ATOM 1013 OD1 ASN A 74 -5.123 1.694 -26.370 1.00 0.00 O ATOM 1014 ND2 ASN A 74 -7.245 1.847 -26.967 1.00 0.00 N ATOM 0 H ASN A 74 -5.094 -0.109 -24.201 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.890 -0.021 -24.800 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.425 -0.856 -26.390 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.034 -0.771 -27.078 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.152 2.850 -27.128 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.142 1.386 -27.122 1.00 0.00 H new ATOM 1021 N PRO A 75 -6.694 -3.145 -24.690 1.00 0.00 N ATOM 1022 CA PRO A 75 -7.170 -4.519 -24.506 1.00 0.00 C ATOM 1023 C PRO A 75 -7.644 -4.772 -23.069 1.00 0.00 C ATOM 1024 O PRO A 75 -6.995 -4.364 -22.107 1.00 0.00 O ATOM 1025 CB PRO A 75 -5.988 -5.421 -24.876 1.00 0.00 C ATOM 1026 CG PRO A 75 -4.771 -4.558 -24.549 1.00 0.00 C ATOM 1027 CD PRO A 75 -5.253 -3.158 -24.927 1.00 0.00 C ATOM 0 HA PRO A 75 -8.038 -4.722 -25.134 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.992 -6.346 -24.299 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.011 -5.702 -25.929 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.497 -4.623 -23.496 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.895 -4.856 -25.125 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.753 -2.399 -24.326 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.028 -2.938 -25.971 1.00 0.00 H new ATOM 1035 N GLU A 76 -8.750 -5.507 -22.923 1.00 0.00 N ATOM 1036 CA GLU A 76 -9.351 -5.896 -21.643 1.00 0.00 C ATOM 1037 C GLU A 76 -8.589 -7.025 -20.918 1.00 0.00 C ATOM 1038 O GLU A 76 -8.816 -7.275 -19.733 1.00 0.00 O ATOM 1039 CB GLU A 76 -10.831 -6.263 -21.860 1.00 0.00 C ATOM 1040 CG GLU A 76 -11.113 -7.448 -22.799 1.00 0.00 C ATOM 1041 CD GLU A 76 -11.221 -7.019 -24.271 1.00 0.00 C ATOM 1042 OE1 GLU A 76 -10.172 -6.859 -24.937 1.00 0.00 O ATOM 1043 OE2 GLU A 76 -12.357 -6.835 -24.771 1.00 0.00 O ATOM 0 H GLU A 76 -9.272 -5.862 -23.724 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.281 -5.035 -20.978 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.274 -6.484 -20.889 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.346 -5.386 -22.253 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.318 -8.186 -22.696 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.040 -7.935 -22.497 1.00 0.00 H new ATOM 1050 N SER A 77 -7.650 -7.691 -21.594 1.00 0.00 N ATOM 1051 CA SER A 77 -6.636 -8.537 -20.953 1.00 0.00 C ATOM 1052 C SER A 77 -5.492 -7.712 -20.342 1.00 0.00 C ATOM 1053 O SER A 77 -4.893 -8.152 -19.366 1.00 0.00 O ATOM 1054 CB SER A 77 -6.080 -9.528 -21.988 1.00 0.00 C ATOM 1055 OG SER A 77 -5.558 -8.848 -23.126 1.00 0.00 O ATOM 0 H SER A 77 -7.570 -7.659 -22.610 1.00 0.00 H new ATOM 0 HA SER A 77 -7.113 -9.075 -20.134 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.296 -10.133 -21.532 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.869 -10.212 -22.300 1.00 0.00 H new ATOM 0 HG SER A 77 -5.210 -9.502 -23.767 1.00 0.00 H new ATOM 1061 N SER A 78 -5.194 -6.517 -20.875 1.00 0.00 N ATOM 1062 CA SER A 78 -4.196 -5.579 -20.332 1.00 0.00 C ATOM 1063 C SER A 78 -2.791 -6.198 -20.150 1.00 0.00 C ATOM 1064 O SER A 78 -2.052 -5.852 -19.228 1.00 0.00 O ATOM 1065 CB SER A 78 -4.745 -4.922 -19.055 1.00 0.00 C ATOM 1066 OG SER A 78 -5.662 -3.886 -19.382 1.00 0.00 O ATOM 0 H SER A 78 -5.651 -6.166 -21.717 1.00 0.00 H new ATOM 0 HA SER A 78 -4.035 -4.798 -21.075 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.239 -5.672 -18.437 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.923 -4.515 -18.466 1.00 0.00 H new ATOM 0 HG SER A 78 -6.066 -4.070 -20.256 1.00 0.00 H new ATOM 1072 N ASN A 79 -2.391 -7.103 -21.049 1.00 0.00 N ATOM 1073 CA ASN A 79 -1.117 -7.833 -20.981 1.00 0.00 C ATOM 1074 C ASN A 79 0.142 -6.933 -21.043 1.00 0.00 C ATOM 1075 O ASN A 79 1.165 -7.270 -20.451 1.00 0.00 O ATOM 1076 CB ASN A 79 -1.099 -8.941 -22.051 1.00 0.00 C ATOM 1077 CG ASN A 79 -1.055 -8.454 -23.503 1.00 0.00 C ATOM 1078 OD1 ASN A 79 -1.485 -7.360 -23.845 1.00 0.00 O ATOM 1079 ND2 ASN A 79 -0.526 -9.263 -24.405 1.00 0.00 N ATOM 0 H ASN A 79 -2.954 -7.355 -21.861 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.064 -8.287 -19.992 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.233 -9.579 -21.874 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.985 -9.562 -21.921 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.477 -8.975 -25.382 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.167 -10.175 -24.124 1.00 0.00 H new ATOM 1086 N LYS A 80 0.073 -5.759 -21.688 1.00 0.00 N ATOM 1087 CA LYS A 80 1.118 -4.719 -21.597 1.00 0.00 C ATOM 1088 C LYS A 80 1.013 -3.898 -20.302 1.00 0.00 C ATOM 1089 O LYS A 80 2.038 -3.495 -19.756 1.00 0.00 O ATOM 1090 CB LYS A 80 1.066 -3.817 -22.849 1.00 0.00 C ATOM 1091 CG LYS A 80 1.884 -4.346 -24.042 1.00 0.00 C ATOM 1092 CD LYS A 80 1.377 -5.676 -24.623 1.00 0.00 C ATOM 1093 CE LYS A 80 2.100 -6.067 -25.924 1.00 0.00 C ATOM 1094 NZ LYS A 80 3.530 -6.432 -25.711 1.00 0.00 N ATOM 0 H LYS A 80 -0.709 -5.500 -22.289 1.00 0.00 H new ATOM 0 HA LYS A 80 2.088 -5.215 -21.561 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.027 -3.702 -23.158 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.431 -2.825 -22.584 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.880 -3.594 -24.831 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.920 -4.473 -23.728 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.513 -6.466 -23.885 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.307 -5.600 -24.815 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.581 -6.909 -26.382 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.044 -5.236 -26.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.963 -6.685 -26.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.037 -5.623 -25.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.588 -7.243 -25.062 1.00 0.00 H new ATOM 1108 N SER A 81 -0.191 -3.714 -19.751 1.00 0.00 N ATOM 1109 CA SER A 81 -0.350 -3.113 -18.419 1.00 0.00 C ATOM 1110 C SER A 81 0.324 -3.983 -17.361 1.00 0.00 C ATOM 1111 O SER A 81 1.246 -3.509 -16.720 1.00 0.00 O ATOM 1112 CB SER A 81 -1.817 -2.882 -18.053 1.00 0.00 C ATOM 1113 OG SER A 81 -1.908 -1.858 -17.076 1.00 0.00 O ATOM 0 H SER A 81 -1.068 -3.971 -20.203 1.00 0.00 H new ATOM 0 HA SER A 81 0.133 -2.136 -18.450 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.384 -2.603 -18.941 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.256 -3.803 -17.671 1.00 0.00 H new ATOM 0 HG SER A 81 -2.849 -1.710 -16.844 1.00 0.00 H new ATOM 1119 N ILE A 82 -0.026 -5.268 -17.210 1.00 0.00 N ATOM 1120 CA ILE A 82 0.578 -6.097 -16.139 1.00 0.00 C ATOM 1121 C ILE A 82 2.108 -6.134 -16.226 1.00 0.00 C ATOM 1122 O ILE A 82 2.793 -5.993 -15.218 1.00 0.00 O ATOM 1123 CB ILE A 82 -0.054 -7.504 -16.109 1.00 0.00 C ATOM 1124 CG1 ILE A 82 0.125 -8.199 -14.740 1.00 0.00 C ATOM 1125 CG2 ILE A 82 0.448 -8.454 -17.206 1.00 0.00 C ATOM 1126 CD1 ILE A 82 -0.635 -7.535 -13.585 1.00 0.00 C ATOM 0 H ILE A 82 -0.706 -5.753 -17.796 1.00 0.00 H new ATOM 0 HA ILE A 82 0.350 -5.623 -15.184 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.110 -7.310 -16.297 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.204 -9.235 -14.827 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.187 -8.221 -14.494 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.050 -9.419 -17.108 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.226 -8.029 -18.185 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.525 -8.590 -17.105 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.452 -8.088 -12.664 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.291 -6.508 -13.466 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.703 -7.537 -13.804 1.00 0.00 H new ATOM 1138 N ASP A 83 2.616 -6.214 -17.451 1.00 0.00 N ATOM 1139 CA ASP A 83 4.048 -6.133 -17.772 1.00 0.00 C ATOM 1140 C ASP A 83 4.688 -4.797 -17.334 1.00 0.00 C ATOM 1141 O ASP A 83 5.679 -4.817 -16.601 1.00 0.00 O ATOM 1142 CB ASP A 83 4.250 -6.385 -19.271 1.00 0.00 C ATOM 1143 CG ASP A 83 5.737 -6.369 -19.657 1.00 0.00 C ATOM 1144 OD1 ASP A 83 6.453 -7.348 -19.337 1.00 0.00 O ATOM 1145 OD2 ASP A 83 6.182 -5.384 -20.293 1.00 0.00 O ATOM 0 H ASP A 83 2.031 -6.341 -18.277 1.00 0.00 H new ATOM 0 HA ASP A 83 4.562 -6.907 -17.202 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.815 -7.348 -19.540 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.718 -5.624 -19.842 1.00 0.00 H new ATOM 1150 N VAL A 84 4.120 -3.648 -17.731 1.00 0.00 N ATOM 1151 CA VAL A 84 4.603 -2.312 -17.301 1.00 0.00 C ATOM 1152 C VAL A 84 4.481 -2.135 -15.787 1.00 0.00 C ATOM 1153 O VAL A 84 5.397 -1.614 -15.155 1.00 0.00 O ATOM 1154 CB VAL A 84 3.851 -1.150 -18.004 1.00 0.00 C ATOM 1155 CG1 VAL A 84 4.104 0.240 -17.386 1.00 0.00 C ATOM 1156 CG2 VAL A 84 4.282 -1.079 -19.481 1.00 0.00 C ATOM 0 H VAL A 84 3.315 -3.611 -18.357 1.00 0.00 H new ATOM 0 HA VAL A 84 5.652 -2.270 -17.593 1.00 0.00 H new ATOM 0 HB VAL A 84 2.792 -1.377 -17.884 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.540 0.992 -17.938 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.783 0.239 -16.344 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.168 0.473 -17.438 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.754 -0.263 -19.975 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.356 -0.904 -19.539 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.041 -2.020 -19.976 1.00 0.00 H new ATOM 1166 N ILE A 85 3.355 -2.559 -15.208 1.00 0.00 N ATOM 1167 CA ILE A 85 3.018 -2.364 -13.798 1.00 0.00 C ATOM 1168 C ILE A 85 3.991 -3.178 -12.958 1.00 0.00 C ATOM 1169 O ILE A 85 4.775 -2.594 -12.220 1.00 0.00 O ATOM 1170 CB ILE A 85 1.535 -2.740 -13.516 1.00 0.00 C ATOM 1171 CG1 ILE A 85 0.438 -1.890 -14.221 1.00 0.00 C ATOM 1172 CG2 ILE A 85 1.242 -2.722 -11.999 1.00 0.00 C ATOM 1173 CD1 ILE A 85 0.864 -0.797 -15.214 1.00 0.00 C ATOM 0 H ILE A 85 2.632 -3.062 -15.723 1.00 0.00 H new ATOM 0 HA ILE A 85 3.114 -1.312 -13.531 1.00 0.00 H new ATOM 0 HB ILE A 85 1.462 -3.737 -13.950 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.220 -2.578 -14.752 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.159 -1.413 -13.443 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.199 -2.988 -11.827 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.888 -3.441 -11.495 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.432 -1.724 -11.604 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.022 -0.302 -15.613 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.489 -0.065 -14.703 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.427 -1.247 -16.032 1.00 0.00 H new ATOM 1185 N ILE A 86 3.996 -4.504 -13.102 1.00 0.00 N ATOM 1186 CA ILE A 86 4.860 -5.384 -12.305 1.00 0.00 C ATOM 1187 C ILE A 86 6.334 -5.070 -12.570 1.00 0.00 C ATOM 1188 O ILE A 86 7.110 -5.006 -11.615 1.00 0.00 O ATOM 1189 CB ILE A 86 4.499 -6.863 -12.569 1.00 0.00 C ATOM 1190 CG1 ILE A 86 3.051 -7.203 -12.131 1.00 0.00 C ATOM 1191 CG2 ILE A 86 5.500 -7.823 -11.906 1.00 0.00 C ATOM 1192 CD1 ILE A 86 2.686 -6.861 -10.677 1.00 0.00 C ATOM 0 H ILE A 86 3.405 -4.999 -13.770 1.00 0.00 H new ATOM 0 HA ILE A 86 4.691 -5.201 -11.244 1.00 0.00 H new ATOM 0 HB ILE A 86 4.559 -7.001 -13.649 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.361 -6.677 -12.791 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.888 -8.270 -12.284 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.210 -8.853 -12.116 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.498 -7.639 -12.303 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.502 -7.659 -10.828 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.651 -7.143 -10.486 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.342 -7.407 -9.999 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.806 -5.790 -10.514 1.00 0.00 H new ATOM 1204 N GLY A 87 6.701 -4.777 -13.825 1.00 0.00 N ATOM 1205 CA GLY A 87 8.055 -4.374 -14.203 1.00 0.00 C ATOM 1206 C GLY A 87 8.525 -3.155 -13.416 1.00 0.00 C ATOM 1207 O GLY A 87 9.479 -3.266 -12.646 1.00 0.00 O ATOM 0 H GLY A 87 6.055 -4.815 -14.613 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.742 -5.203 -14.033 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.083 -4.151 -15.270 1.00 0.00 H new ATOM 1211 N ARG A 88 7.854 -2.002 -13.555 1.00 0.00 N ATOM 1212 CA ARG A 88 8.316 -0.756 -12.941 1.00 0.00 C ATOM 1213 C ARG A 88 7.960 -0.619 -11.450 1.00 0.00 C ATOM 1214 O ARG A 88 8.659 0.114 -10.755 1.00 0.00 O ATOM 1215 CB ARG A 88 7.885 0.451 -13.792 1.00 0.00 C ATOM 1216 CG ARG A 88 9.008 0.989 -14.692 1.00 0.00 C ATOM 1217 CD ARG A 88 9.472 0.005 -15.776 1.00 0.00 C ATOM 1218 NE ARG A 88 10.614 0.551 -16.534 1.00 0.00 N ATOM 1219 CZ ARG A 88 10.582 1.438 -17.525 1.00 0.00 C ATOM 1220 NH1 ARG A 88 9.456 1.945 -17.983 1.00 0.00 N ATOM 1221 NH2 ARG A 88 11.709 1.836 -18.075 1.00 0.00 N ATOM 0 H ARG A 88 6.989 -1.910 -14.088 1.00 0.00 H new ATOM 0 HA ARG A 88 9.406 -0.786 -12.936 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.036 0.165 -14.413 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.543 1.249 -13.133 1.00 0.00 H new ATOM 0 HG2 ARG A 88 8.666 1.906 -15.172 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.862 1.255 -14.069 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.756 -0.941 -15.315 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.647 -0.207 -16.457 1.00 0.00 H new ATOM 0 HE ARG A 88 11.537 0.208 -16.267 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.565 1.660 -17.576 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.475 2.623 -18.745 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.598 1.465 -17.741 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.693 2.516 -18.835 1.00 0.00 H new ATOM 1235 N LEU A 89 6.984 -1.360 -10.907 1.00 0.00 N ATOM 1236 CA LEU A 89 6.798 -1.515 -9.453 1.00 0.00 C ATOM 1237 C LEU A 89 8.008 -2.249 -8.853 1.00 0.00 C ATOM 1238 O LEU A 89 8.632 -1.735 -7.923 1.00 0.00 O ATOM 1239 CB LEU A 89 5.451 -2.231 -9.202 1.00 0.00 C ATOM 1240 CG LEU A 89 4.789 -1.954 -7.842 1.00 0.00 C ATOM 1241 CD1 LEU A 89 3.340 -2.466 -7.868 1.00 0.00 C ATOM 1242 CD2 LEU A 89 5.524 -2.599 -6.665 1.00 0.00 C ATOM 0 H LEU A 89 6.298 -1.871 -11.463 1.00 0.00 H new ATOM 0 HA LEU A 89 6.749 -0.549 -8.951 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.755 -1.941 -9.989 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.609 -3.305 -9.296 1.00 0.00 H new ATOM 0 HG LEU A 89 4.826 -0.875 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.868 -2.271 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.787 -1.952 -8.654 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.336 -3.538 -8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.003 -2.363 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.551 -3.680 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.543 -2.214 -6.617 1.00 0.00 H new ATOM 1254 N ARG A 90 8.414 -3.382 -9.448 1.00 0.00 N ATOM 1255 CA ARG A 90 9.649 -4.084 -9.066 1.00 0.00 C ATOM 1256 C ARG A 90 10.871 -3.174 -9.204 1.00 0.00 C ATOM 1257 O ARG A 90 11.684 -3.102 -8.289 1.00 0.00 O ATOM 1258 CB ARG A 90 9.829 -5.363 -9.896 1.00 0.00 C ATOM 1259 CG ARG A 90 10.805 -6.324 -9.205 1.00 0.00 C ATOM 1260 CD ARG A 90 11.078 -7.581 -10.043 1.00 0.00 C ATOM 1261 NE ARG A 90 12.031 -8.476 -9.356 1.00 0.00 N ATOM 1262 CZ ARG A 90 13.334 -8.267 -9.184 1.00 0.00 C ATOM 1263 NH1 ARG A 90 13.964 -7.255 -9.739 1.00 0.00 N ATOM 1264 NH2 ARG A 90 14.039 -9.078 -8.426 1.00 0.00 N ATOM 0 H ARG A 90 7.899 -3.835 -10.203 1.00 0.00 H new ATOM 0 HA ARG A 90 9.559 -4.366 -8.017 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.865 -5.852 -10.033 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.202 -5.109 -10.888 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.745 -5.807 -9.013 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.399 -6.617 -8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.143 -8.111 -10.226 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.478 -7.295 -11.016 1.00 0.00 H new ATOM 0 HE ARG A 90 11.652 -9.343 -8.974 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.453 -6.596 -10.326 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.964 -7.129 -9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.587 -9.870 -7.968 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.038 -8.915 -8.296 1.00 0.00 H new ATOM 1278 N SER A 91 10.975 -2.429 -10.304 1.00 0.00 N ATOM 1279 CA SER A 91 12.042 -1.426 -10.486 1.00 0.00 C ATOM 1280 C SER A 91 12.079 -0.411 -9.341 1.00 0.00 C ATOM 1281 O SER A 91 13.134 -0.222 -8.736 1.00 0.00 O ATOM 1282 CB SER A 91 11.941 -0.676 -11.825 1.00 0.00 C ATOM 1283 OG SER A 91 11.931 -1.552 -12.946 1.00 0.00 O ATOM 0 H SER A 91 10.331 -2.497 -11.092 1.00 0.00 H new ATOM 0 HA SER A 91 12.970 -1.998 -10.487 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.033 -0.074 -11.832 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.781 0.013 -11.915 1.00 0.00 H new ATOM 0 HG SER A 91 11.139 -2.127 -12.905 1.00 0.00 H new ATOM 1289 N LYS A 92 10.942 0.196 -8.972 1.00 0.00 N ATOM 1290 CA LYS A 92 10.932 1.164 -7.867 1.00 0.00 C ATOM 1291 C LYS A 92 11.296 0.537 -6.503 1.00 0.00 C ATOM 1292 O LYS A 92 12.065 1.147 -5.759 1.00 0.00 O ATOM 1293 CB LYS A 92 9.586 1.917 -7.883 1.00 0.00 C ATOM 1294 CG LYS A 92 9.489 2.883 -9.084 1.00 0.00 C ATOM 1295 CD LYS A 92 10.233 4.211 -8.846 1.00 0.00 C ATOM 1296 CE LYS A 92 10.362 5.062 -10.122 1.00 0.00 C ATOM 1297 NZ LYS A 92 9.058 5.602 -10.597 1.00 0.00 N ATOM 0 H LYS A 92 10.035 0.039 -9.412 1.00 0.00 H new ATOM 0 HA LYS A 92 11.728 1.893 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.767 1.199 -7.926 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.471 2.477 -6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.898 2.396 -9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.440 3.092 -9.292 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.706 4.785 -8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.228 3.999 -8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.044 5.891 -9.932 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.808 4.457 -10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.218 6.234 -11.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.442 4.816 -10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.602 6.134 -9.828 1.00 0.00 H new ATOM 1311 N ILE A 93 10.844 -0.683 -6.176 1.00 0.00 N ATOM 1312 CA ILE A 93 11.174 -1.334 -4.876 1.00 0.00 C ATOM 1313 C ILE A 93 12.528 -2.073 -4.850 1.00 0.00 C ATOM 1314 O ILE A 93 12.991 -2.441 -3.772 1.00 0.00 O ATOM 1315 CB ILE A 93 10.028 -2.231 -4.356 1.00 0.00 C ATOM 1316 CG1 ILE A 93 9.996 -3.625 -5.026 1.00 0.00 C ATOM 1317 CG2 ILE A 93 8.705 -1.456 -4.354 1.00 0.00 C ATOM 1318 CD1 ILE A 93 8.624 -4.274 -5.249 1.00 0.00 C ATOM 0 H ILE A 93 10.250 -1.246 -6.784 1.00 0.00 H new ATOM 0 HA ILE A 93 11.288 -0.501 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 93 10.221 -2.482 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.491 -3.544 -5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.594 -4.304 -4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.907 -2.100 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.795 -0.584 -3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.471 -1.133 -5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 93 8.754 -5.245 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.123 -4.405 -4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.018 -3.633 -5.890 1.00 0.00 H new ATOM 1330 N GLU A 94 13.168 -2.283 -6.003 1.00 0.00 N ATOM 1331 CA GLU A 94 14.562 -2.737 -6.099 1.00 0.00 C ATOM 1332 C GLU A 94 15.535 -1.547 -5.991 1.00 0.00 C ATOM 1333 O GLU A 94 16.576 -1.652 -5.338 1.00 0.00 O ATOM 1334 CB GLU A 94 14.760 -3.509 -7.417 1.00 0.00 C ATOM 1335 CG GLU A 94 16.161 -4.120 -7.542 1.00 0.00 C ATOM 1336 CD GLU A 94 16.273 -5.009 -8.788 1.00 0.00 C ATOM 1337 OE1 GLU A 94 16.296 -4.474 -9.922 1.00 0.00 O ATOM 1338 OE2 GLU A 94 16.330 -6.255 -8.650 1.00 0.00 O ATOM 0 H GLU A 94 12.727 -2.141 -6.912 1.00 0.00 H new ATOM 0 HA GLU A 94 14.780 -3.407 -5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.015 -4.302 -7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.586 -2.836 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.904 -3.324 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.384 -4.708 -6.652 1.00 0.00 H new ATOM 1345 N LYS A 95 15.198 -0.398 -6.598 1.00 0.00 N ATOM 1346 CA LYS A 95 16.006 0.827 -6.527 1.00 0.00 C ATOM 1347 C LYS A 95 15.955 1.489 -5.135 1.00 0.00 C ATOM 1348 O LYS A 95 16.992 1.911 -4.614 1.00 0.00 O ATOM 1349 CB LYS A 95 15.545 1.766 -7.658 1.00 0.00 C ATOM 1350 CG LYS A 95 16.452 3.002 -7.798 1.00 0.00 C ATOM 1351 CD LYS A 95 16.083 3.879 -9.006 1.00 0.00 C ATOM 1352 CE LYS A 95 16.276 3.206 -10.379 1.00 0.00 C ATOM 1353 NZ LYS A 95 17.707 2.935 -10.696 1.00 0.00 N ATOM 0 H LYS A 95 14.350 -0.294 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 95 17.059 0.582 -6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.534 1.218 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.522 2.089 -7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.388 3.599 -6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.488 2.678 -7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.041 4.184 -8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.685 4.787 -8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.721 2.268 -10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 95 15.852 3.845 -11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.776 2.482 -11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.236 3.830 -10.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 18.109 2.303 -9.974 1.00 0.00 H new ATOM 1367 N ASN A 96 14.774 1.554 -4.505 1.00 0.00 N ATOM 1368 CA ASN A 96 14.636 1.954 -3.095 1.00 0.00 C ATOM 1369 C ASN A 96 15.073 0.816 -2.136 1.00 0.00 C ATOM 1370 O ASN A 96 14.972 -0.357 -2.508 1.00 0.00 O ATOM 1371 CB ASN A 96 13.185 2.394 -2.814 1.00 0.00 C ATOM 1372 CG ASN A 96 12.869 3.756 -3.428 1.00 0.00 C ATOM 1373 OD1 ASN A 96 13.059 4.794 -2.805 1.00 0.00 O ATOM 1374 ND2 ASN A 96 12.399 3.800 -4.662 1.00 0.00 N ATOM 0 H ASN A 96 13.887 1.331 -4.957 1.00 0.00 H new ATOM 0 HA ASN A 96 15.299 2.799 -2.910 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.497 1.649 -3.213 1.00 0.00 H new ATOM 0 HB3 ASN A 96 13.021 2.435 -1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 96 12.194 4.699 -5.098 1.00 0.00 H new ATOM 0 HD22 ASN A 96 12.242 2.935 -5.179 1.00 0.00 H new ATOM 1381 N PRO A 97 15.516 1.128 -0.898 1.00 0.00 N ATOM 1382 CA PRO A 97 15.812 0.114 0.118 1.00 0.00 C ATOM 1383 C PRO A 97 14.532 -0.557 0.643 1.00 0.00 C ATOM 1384 O PRO A 97 14.551 -1.745 0.965 1.00 0.00 O ATOM 1385 CB PRO A 97 16.566 0.861 1.224 1.00 0.00 C ATOM 1386 CG PRO A 97 16.043 2.293 1.120 1.00 0.00 C ATOM 1387 CD PRO A 97 15.798 2.464 -0.380 1.00 0.00 C ATOM 0 HA PRO A 97 16.409 -0.703 -0.289 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.364 0.432 2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.645 0.817 1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 97 15.128 2.431 1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.768 3.015 1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.962 3.138 -0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.670 2.896 -0.871 1.00 0.00 H new ATOM 1395 N LYS A 98 13.409 0.175 0.688 1.00 0.00 N ATOM 1396 CA LYS A 98 12.093 -0.361 1.054 1.00 0.00 C ATOM 1397 C LYS A 98 11.594 -1.375 -0.005 1.00 0.00 C ATOM 1398 O LYS A 98 11.471 -1.050 -1.185 1.00 0.00 O ATOM 1399 CB LYS A 98 11.137 0.824 1.278 1.00 0.00 C ATOM 1400 CG LYS A 98 9.741 0.450 1.803 1.00 0.00 C ATOM 1401 CD LYS A 98 9.685 -0.229 3.189 1.00 0.00 C ATOM 1402 CE LYS A 98 9.538 -1.764 3.117 1.00 0.00 C ATOM 1403 NZ LYS A 98 9.102 -2.344 4.420 1.00 0.00 N ATOM 0 H LYS A 98 13.391 1.171 0.468 1.00 0.00 H new ATOM 0 HA LYS A 98 12.148 -0.928 1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.600 1.515 1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.022 1.360 0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.137 1.357 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.271 -0.215 1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.592 0.016 3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.848 0.182 3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.814 -2.023 2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.490 -2.206 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.304 -3.364 4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.617 -1.881 5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.080 -2.192 4.543 1.00 0.00 H new ATOM 1417 N GLN A 99 11.292 -2.603 0.434 1.00 0.00 N ATOM 1418 CA GLN A 99 11.017 -3.784 -0.395 1.00 0.00 C ATOM 1419 C GLN A 99 9.949 -4.675 0.290 1.00 0.00 C ATOM 1420 O GLN A 99 9.771 -4.553 1.508 1.00 0.00 O ATOM 1421 CB GLN A 99 12.357 -4.510 -0.653 1.00 0.00 C ATOM 1422 CG GLN A 99 13.032 -5.093 0.605 1.00 0.00 C ATOM 1423 CD GLN A 99 14.480 -5.505 0.330 1.00 0.00 C ATOM 1424 OE1 GLN A 99 14.792 -6.662 0.070 1.00 0.00 O ATOM 1425 NE2 GLN A 99 15.419 -4.578 0.364 1.00 0.00 N ATOM 0 H GLN A 99 11.229 -2.811 1.431 1.00 0.00 H new ATOM 0 HA GLN A 99 10.596 -3.507 -1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.184 -5.319 -1.363 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.047 -3.812 -1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.010 -4.354 1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.467 -5.958 0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.174 -3.611 0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.390 -4.828 0.175 1.00 0.00 H new ATOM 1434 N PRO A 100 9.216 -5.529 -0.455 1.00 0.00 N ATOM 1435 CA PRO A 100 8.079 -6.291 0.066 1.00 0.00 C ATOM 1436 C PRO A 100 8.504 -7.487 0.927 1.00 0.00 C ATOM 1437 O PRO A 100 9.602 -8.026 0.788 1.00 0.00 O ATOM 1438 CB PRO A 100 7.297 -6.750 -1.170 1.00 0.00 C ATOM 1439 CG PRO A 100 8.375 -6.878 -2.242 1.00 0.00 C ATOM 1440 CD PRO A 100 9.324 -5.733 -1.896 1.00 0.00 C ATOM 0 HA PRO A 100 7.477 -5.672 0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 100 6.789 -7.699 -0.995 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.532 -6.027 -1.453 1.00 0.00 H new ATOM 0 HG2 PRO A 100 8.875 -7.846 -2.201 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.963 -6.774 -3.246 1.00 0.00 H new ATOM 0 HD2 PRO A 100 10.348 -5.979 -2.178 1.00 0.00 H new ATOM 0 HD3 PRO A 100 9.053 -4.827 -2.438 1.00 0.00 H new ATOM 1448 N GLN A 101 7.572 -7.932 1.777 1.00 0.00 N ATOM 1449 CA GLN A 101 7.659 -9.203 2.509 1.00 0.00 C ATOM 1450 C GLN A 101 6.308 -9.939 2.553 1.00 0.00 C ATOM 1451 O GLN A 101 6.289 -11.169 2.534 1.00 0.00 O ATOM 1452 CB GLN A 101 8.247 -8.971 3.915 1.00 0.00 C ATOM 1453 CG GLN A 101 7.355 -8.165 4.880 1.00 0.00 C ATOM 1454 CD GLN A 101 8.019 -7.915 6.241 1.00 0.00 C ATOM 1455 OE1 GLN A 101 8.816 -8.699 6.747 1.00 0.00 O ATOM 1456 NE2 GLN A 101 7.729 -6.805 6.893 1.00 0.00 N ATOM 0 H GLN A 101 6.720 -7.410 1.980 1.00 0.00 H new ATOM 0 HA GLN A 101 8.339 -9.861 1.967 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.458 -9.940 4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 101 9.201 -8.453 3.811 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.106 -7.208 4.422 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.417 -8.700 5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.070 -6.137 6.494 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.164 -6.615 7.796 1.00 0.00 H new ATOM 1465 N TYR A 102 5.177 -9.211 2.545 1.00 0.00 N ATOM 1466 CA TYR A 102 3.830 -9.817 2.508 1.00 0.00 C ATOM 1467 C TYR A 102 3.276 -10.035 1.090 1.00 0.00 C ATOM 1468 O TYR A 102 2.168 -10.554 0.933 1.00 0.00 O ATOM 1469 CB TYR A 102 2.879 -8.961 3.361 1.00 0.00 C ATOM 1470 CG TYR A 102 3.340 -8.768 4.794 1.00 0.00 C ATOM 1471 CD1 TYR A 102 3.395 -9.869 5.672 1.00 0.00 C ATOM 1472 CD2 TYR A 102 3.738 -7.494 5.246 1.00 0.00 C ATOM 1473 CE1 TYR A 102 3.850 -9.703 6.993 1.00 0.00 C ATOM 1474 CE2 TYR A 102 4.189 -7.321 6.568 1.00 0.00 C ATOM 1475 CZ TYR A 102 4.250 -8.427 7.447 1.00 0.00 C ATOM 1476 OH TYR A 102 4.691 -8.268 8.727 1.00 0.00 O ATOM 0 H TYR A 102 5.168 -8.191 2.564 1.00 0.00 H new ATOM 0 HA TYR A 102 3.912 -10.821 2.925 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.767 -7.984 2.892 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.894 -9.427 3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.086 -10.845 5.329 1.00 0.00 H new ATOM 0 HD2 TYR A 102 3.697 -6.648 4.576 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.893 -10.551 7.660 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.489 -6.342 6.912 1.00 0.00 H new ATOM 0 HH TYR A 102 4.928 -7.329 8.877 1.00 0.00 H new ATOM 1486 N ILE A 103 4.021 -9.641 0.049 1.00 0.00 N ATOM 1487 CA ILE A 103 3.608 -9.822 -1.355 1.00 0.00 C ATOM 1488 C ILE A 103 4.204 -11.124 -1.917 1.00 0.00 C ATOM 1489 O ILE A 103 5.423 -11.311 -1.884 1.00 0.00 O ATOM 1490 CB ILE A 103 4.014 -8.609 -2.224 1.00 0.00 C ATOM 1491 CG1 ILE A 103 3.664 -7.247 -1.581 1.00 0.00 C ATOM 1492 CG2 ILE A 103 3.366 -8.726 -3.617 1.00 0.00 C ATOM 1493 CD1 ILE A 103 2.212 -7.117 -1.109 1.00 0.00 C ATOM 0 H ILE A 103 4.928 -9.187 0.153 1.00 0.00 H new ATOM 0 HA ILE A 103 2.521 -9.893 -1.384 1.00 0.00 H new ATOM 0 HB ILE A 103 5.100 -8.633 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.325 -7.082 -0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.870 -6.456 -2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.655 -7.869 -4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.703 -9.644 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.281 -8.748 -3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.058 -6.130 -0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.541 -7.247 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.003 -7.882 -0.361 1.00 0.00 H new ATOM 1505 N ILE A 104 3.357 -12.009 -2.451 1.00 0.00 N ATOM 1506 CA ILE A 104 3.771 -13.272 -3.110 1.00 0.00 C ATOM 1507 C ILE A 104 3.470 -13.240 -4.624 1.00 0.00 C ATOM 1508 O ILE A 104 2.409 -12.794 -5.052 1.00 0.00 O ATOM 1509 CB ILE A 104 3.125 -14.490 -2.392 1.00 0.00 C ATOM 1510 CG1 ILE A 104 3.570 -14.543 -0.908 1.00 0.00 C ATOM 1511 CG2 ILE A 104 3.466 -15.813 -3.108 1.00 0.00 C ATOM 1512 CD1 ILE A 104 2.883 -15.633 -0.073 1.00 0.00 C ATOM 0 H ILE A 104 2.346 -11.875 -2.442 1.00 0.00 H new ATOM 0 HA ILE A 104 4.852 -13.380 -3.019 1.00 0.00 H new ATOM 0 HB ILE A 104 2.043 -14.363 -2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.648 -14.701 -0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.374 -13.574 -0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.998 -16.644 -2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.094 -15.779 -4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.547 -15.953 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.255 -15.596 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.806 -15.467 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.100 -16.611 -0.503 1.00 0.00 H new ATOM 1524 N SER A 105 4.388 -13.729 -5.455 1.00 0.00 N ATOM 1525 CA SER A 105 4.269 -13.777 -6.917 1.00 0.00 C ATOM 1526 C SER A 105 3.441 -14.997 -7.373 1.00 0.00 C ATOM 1527 O SER A 105 3.758 -16.132 -7.005 1.00 0.00 O ATOM 1528 CB SER A 105 5.671 -13.862 -7.555 1.00 0.00 C ATOM 1529 OG SER A 105 6.588 -12.934 -6.979 1.00 0.00 O ATOM 0 H SER A 105 5.269 -14.118 -5.120 1.00 0.00 H new ATOM 0 HA SER A 105 3.762 -12.867 -7.238 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.060 -14.873 -7.437 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.592 -13.673 -8.626 1.00 0.00 H new ATOM 0 HG SER A 105 6.339 -12.023 -7.241 1.00 0.00 H new ATOM 1535 N VAL A 106 2.415 -14.788 -8.208 1.00 0.00 N ATOM 1536 CA VAL A 106 1.576 -15.855 -8.805 1.00 0.00 C ATOM 1537 C VAL A 106 1.750 -15.855 -10.332 1.00 0.00 C ATOM 1538 O VAL A 106 1.062 -15.136 -11.060 1.00 0.00 O ATOM 1539 CB VAL A 106 0.081 -15.739 -8.393 1.00 0.00 C ATOM 1540 CG1 VAL A 106 -0.705 -16.979 -8.854 1.00 0.00 C ATOM 1541 CG2 VAL A 106 -0.091 -15.581 -6.871 1.00 0.00 C ATOM 0 H VAL A 106 2.132 -13.852 -8.499 1.00 0.00 H new ATOM 0 HA VAL A 106 1.917 -16.813 -8.412 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.308 -14.845 -8.880 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.749 -16.879 -8.557 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.643 -17.066 -9.939 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.280 -17.871 -8.394 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.151 -15.504 -6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.334 -16.448 -6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.423 -14.679 -6.538 1.00 0.00 H new ATOM 1601 N GLY A 110 -0.597 -12.681 -11.663 1.00 0.00 N ATOM 1602 CA GLY A 110 -1.156 -12.139 -10.431 1.00 0.00 C ATOM 1603 C GLY A 110 -0.078 -11.943 -9.370 1.00 0.00 C ATOM 1604 O GLY A 110 0.890 -12.699 -9.313 1.00 0.00 O ATOM 0 HA2 GLY A 110 -1.642 -11.186 -10.639 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.924 -12.812 -10.051 1.00 0.00 H new ATOM 1608 N TYR A 111 -0.253 -10.964 -8.485 1.00 0.00 N ATOM 1609 CA TYR A 111 0.528 -10.881 -7.241 1.00 0.00 C ATOM 1610 C TYR A 111 -0.391 -10.836 -6.026 1.00 0.00 C ATOM 1611 O TYR A 111 -1.257 -9.978 -5.892 1.00 0.00 O ATOM 1612 CB TYR A 111 1.483 -9.687 -7.247 1.00 0.00 C ATOM 1613 CG TYR A 111 2.737 -9.900 -8.079 1.00 0.00 C ATOM 1614 CD1 TYR A 111 2.665 -10.044 -9.478 1.00 0.00 C ATOM 1615 CD2 TYR A 111 3.986 -10.016 -7.437 1.00 0.00 C ATOM 1616 CE1 TYR A 111 3.816 -10.356 -10.225 1.00 0.00 C ATOM 1617 CE2 TYR A 111 5.147 -10.291 -8.181 1.00 0.00 C ATOM 1618 CZ TYR A 111 5.066 -10.484 -9.577 1.00 0.00 C ATOM 1619 OH TYR A 111 6.192 -10.794 -10.281 1.00 0.00 O ATOM 0 H TYR A 111 -0.931 -10.211 -8.602 1.00 0.00 H new ATOM 0 HA TYR A 111 1.137 -11.783 -7.178 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.953 -8.813 -7.626 1.00 0.00 H new ATOM 0 HB3 TYR A 111 1.774 -9.463 -6.221 1.00 0.00 H new ATOM 0 HD1 TYR A 111 1.719 -9.914 -9.982 1.00 0.00 H new ATOM 0 HD2 TYR A 111 4.052 -9.893 -6.366 1.00 0.00 H new ATOM 0 HE1 TYR A 111 3.745 -10.498 -11.293 1.00 0.00 H new ATOM 0 HE2 TYR A 111 6.103 -10.355 -7.683 1.00 0.00 H new ATOM 0 HH TYR A 111 6.957 -10.839 -9.671 1.00 0.00 H new ATOM 1629 N LYS A 112 -0.189 -11.782 -5.124 1.00 0.00 N ATOM 1630 CA LYS A 112 -0.975 -11.925 -3.904 1.00 0.00 C ATOM 1631 C LYS A 112 -0.522 -10.887 -2.872 1.00 0.00 C ATOM 1632 O LYS A 112 0.633 -10.886 -2.442 1.00 0.00 O ATOM 1633 CB LYS A 112 -0.883 -13.368 -3.399 1.00 0.00 C ATOM 1634 CG LYS A 112 -1.844 -13.654 -2.234 1.00 0.00 C ATOM 1635 CD LYS A 112 -1.727 -15.120 -1.788 1.00 0.00 C ATOM 1636 CE LYS A 112 -2.760 -15.504 -0.715 1.00 0.00 C ATOM 1637 NZ LYS A 112 -2.494 -14.877 0.612 1.00 0.00 N ATOM 0 H LYS A 112 0.541 -12.488 -5.219 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.029 -11.729 -4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.102 -14.050 -4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.139 -13.572 -3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.617 -12.994 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.869 -13.441 -2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.852 -15.769 -2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -0.724 -15.297 -1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -3.753 -15.210 -1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -2.770 -16.588 -0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -3.224 -15.175 1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.559 -15.176 0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -2.512 -13.842 0.517 1.00 0.00 H new ATOM 1651 N LEU A 113 -1.446 -10.014 -2.492 1.00 0.00 N ATOM 1652 CA LEU A 113 -1.279 -8.920 -1.531 1.00 0.00 C ATOM 1653 C LEU A 113 -2.281 -9.132 -0.386 1.00 0.00 C ATOM 1654 O LEU A 113 -3.321 -9.759 -0.578 1.00 0.00 O ATOM 1655 CB LEU A 113 -1.480 -7.592 -2.309 1.00 0.00 C ATOM 1656 CG LEU A 113 -1.158 -6.274 -1.557 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -0.533 -5.249 -2.522 1.00 0.00 C ATOM 1658 CD2 LEU A 113 -2.389 -5.611 -0.925 1.00 0.00 C ATOM 0 H LEU A 113 -2.394 -10.049 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.289 -8.888 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.862 -7.629 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.518 -7.548 -2.639 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.470 -6.556 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.312 -4.329 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.389 -5.656 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.233 -5.036 -3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.088 -4.695 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.114 -5.373 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.841 -6.294 -0.205 1.00 0.00 H new ATOM 1670 N GLU A 114 -1.992 -8.607 0.802 1.00 0.00 N ATOM 1671 CA GLU A 114 -2.922 -8.656 1.939 1.00 0.00 C ATOM 1672 C GLU A 114 -2.807 -7.380 2.798 1.00 0.00 C ATOM 1673 O GLU A 114 -1.762 -6.718 2.806 1.00 0.00 O ATOM 1674 CB GLU A 114 -2.645 -9.933 2.755 1.00 0.00 C ATOM 1675 CG GLU A 114 -3.795 -10.332 3.687 1.00 0.00 C ATOM 1676 CD GLU A 114 -3.542 -11.725 4.288 1.00 0.00 C ATOM 1677 OE1 GLU A 114 -3.799 -12.741 3.599 1.00 0.00 O ATOM 1678 OE2 GLU A 114 -3.086 -11.818 5.453 1.00 0.00 O ATOM 0 H GLU A 114 -1.111 -8.136 1.009 1.00 0.00 H new ATOM 0 HA GLU A 114 -3.949 -8.693 1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.444 -10.755 2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -1.743 -9.785 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -3.895 -9.597 4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.735 -10.333 3.135 1.00 0.00 H new ATOM 1685 N TYR A 115 -3.895 -7.028 3.493 1.00 0.00 N ATOM 1686 CA TYR A 115 -4.000 -5.852 4.371 1.00 0.00 C ATOM 1687 C TYR A 115 -3.155 -5.957 5.663 1.00 0.00 C ATOM 1688 O TYR A 115 -2.755 -4.893 6.192 1.00 0.00 O ATOM 1689 CB TYR A 115 -5.483 -5.571 4.674 1.00 0.00 C ATOM 1690 CG TYR A 115 -6.231 -6.675 5.405 1.00 0.00 C ATOM 1691 CD1 TYR A 115 -6.193 -6.735 6.813 1.00 0.00 C ATOM 1692 CD2 TYR A 115 -6.979 -7.628 4.682 1.00 0.00 C ATOM 1693 CE1 TYR A 115 -6.884 -7.753 7.498 1.00 0.00 C ATOM 1694 CE2 TYR A 115 -7.669 -8.651 5.365 1.00 0.00 C ATOM 1695 CZ TYR A 115 -7.621 -8.717 6.776 1.00 0.00 C ATOM 1696 OH TYR A 115 -8.285 -9.699 7.448 1.00 0.00 O ATOM 1697 OXT TYR A 115 -2.890 -7.080 6.159 1.00 0.00 O ATOM 0 H TYR A 115 -4.757 -7.572 3.460 1.00 0.00 H new ATOM 0 HA TYR A 115 -3.572 -5.006 3.833 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.546 -4.660 5.269 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -5.995 -5.373 3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -5.632 -5.998 7.368 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.023 -7.574 3.604 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -6.850 -7.796 8.577 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.234 -9.384 4.809 1.00 0.00 H new ATOM 0 HH TYR A 115 -8.744 -10.281 6.807 1.00 0.00 H new