USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 33 SER OG : rot -5:sc= 0.868 USER MOD Single : A 34 TYR OH : rot 165:sc= -0.16 USER MOD Single : A 46 ASN : amide:sc= 0.262 K(o=0.26,f=-6.6!) USER MOD Single : A 48 GLN : amide:sc= -0.203 K(o=-0.2,f=-1.5!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.52 K(o=-0.52,f=-5.8!) USER MOD Single : A 55 TYR OH : rot -128:sc= -0.501 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= 1.11 (180deg=0.957) USER MOD Single : A 72 THR OG1 : rot -139:sc= 0.148 USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= -2.25! (180deg=-2.39!) USER MOD Single : A 77 SER OG : rot 32:sc= -0.987 USER MOD Single : A 79 THR OG1 : rot -160:sc= -0.112 USER MOD Single : A 81 LYS NZ :NH3+ -108:sc= 0.309 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 70:sc= -0.754 USER MOD Single : A 89 THR OG1 : rot 46:sc= 0.513 USER MOD Single : A 91 GLN : amide:sc= -0.0366 X(o=-0.037,f=-0.25) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 162:sc= 1.08 (180deg=0.858) USER MOD Single : A 106 GLN : amide:sc=-0.00551 K(o=-0.0055,f=-1.5!) USER MOD Single : A 110 THR OG1 : rot 27:sc= 0.0765 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.818 K(o=-0.82,f=-1.8!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.0445 USER MOD Single : A 125 ASN : amide:sc=-0.00285 X(o=-0.0028,f=-0.0028) USER MOD ----------------------------------------------------------------- ATOM 101 N SER A 33 11.580 6.092 1.801 1.00 0.00 N ATOM 102 CA SER A 33 11.424 4.936 2.734 1.00 0.00 C ATOM 103 C SER A 33 10.532 3.868 2.095 1.00 0.00 C ATOM 104 O SER A 33 9.743 4.150 1.212 1.00 0.00 O ATOM 105 CB SER A 33 10.770 5.495 4.011 1.00 0.00 C ATOM 106 OG SER A 33 10.301 6.822 3.787 1.00 0.00 O ATOM 0 HA SER A 33 12.383 4.469 2.960 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.941 4.855 4.313 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.491 5.490 4.829 1.00 0.00 H new ATOM 0 HG SER A 33 10.569 7.117 2.892 1.00 0.00 H new ATOM 112 N TYR A 34 10.658 2.641 2.533 1.00 0.00 N ATOM 113 CA TYR A 34 9.822 1.543 1.953 1.00 0.00 C ATOM 114 C TYR A 34 8.330 1.868 2.105 1.00 0.00 C ATOM 115 O TYR A 34 7.534 1.583 1.231 1.00 0.00 O ATOM 116 CB TYR A 34 10.191 0.284 2.753 1.00 0.00 C ATOM 117 CG TYR A 34 9.258 -0.847 2.382 1.00 0.00 C ATOM 118 CD1 TYR A 34 9.470 -1.573 1.204 1.00 0.00 C ATOM 119 CD2 TYR A 34 8.176 -1.163 3.213 1.00 0.00 C ATOM 120 CE1 TYR A 34 8.599 -2.612 0.857 1.00 0.00 C ATOM 121 CE2 TYR A 34 7.307 -2.201 2.868 1.00 0.00 C ATOM 122 CZ TYR A 34 7.518 -2.926 1.689 1.00 0.00 C ATOM 123 OH TYR A 34 6.661 -3.950 1.347 1.00 0.00 O ATOM 0 H TYR A 34 11.304 2.351 3.267 1.00 0.00 H new ATOM 0 HA TYR A 34 10.006 1.410 0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.223 -0.000 2.547 1.00 0.00 H new ATOM 0 HB3 TYR A 34 10.124 0.488 3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.305 -1.331 0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 34 8.013 -0.603 4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 34 8.761 -3.171 -0.053 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.473 -2.444 3.510 1.00 0.00 H new ATOM 0 HH TYR A 34 6.120 -4.198 2.126 1.00 0.00 H new ATOM 133 N ARG A 35 7.949 2.471 3.206 1.00 0.00 N ATOM 134 CA ARG A 35 6.510 2.822 3.413 1.00 0.00 C ATOM 135 C ARG A 35 6.033 3.785 2.318 1.00 0.00 C ATOM 136 O ARG A 35 4.927 3.672 1.823 1.00 0.00 O ATOM 137 CB ARG A 35 6.455 3.495 4.788 1.00 0.00 C ATOM 138 CG ARG A 35 5.024 3.441 5.331 1.00 0.00 C ATOM 139 CD ARG A 35 4.908 2.312 6.360 1.00 0.00 C ATOM 140 NE ARG A 35 3.501 2.379 6.850 1.00 0.00 N ATOM 141 CZ ARG A 35 3.204 3.110 7.892 1.00 0.00 C ATOM 142 NH1 ARG A 35 3.004 4.394 7.752 1.00 0.00 N ATOM 143 NH2 ARG A 35 3.108 2.554 9.072 1.00 0.00 N ATOM 0 H ARG A 35 8.573 2.735 3.969 1.00 0.00 H new ATOM 0 HA ARG A 35 5.863 1.946 3.365 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.135 2.994 5.477 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.786 4.531 4.710 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.762 4.394 5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.320 3.277 4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.123 1.343 5.909 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.617 2.448 7.177 1.00 0.00 H new ATOM 0 HE ARG A 35 2.769 1.854 6.371 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.080 4.824 6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.772 4.966 8.564 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.265 1.552 9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.876 3.123 9.886 1.00 0.00 H new ATOM 157 N GLU A 36 6.865 4.723 1.930 1.00 0.00 N ATOM 158 CA GLU A 36 6.467 5.688 0.858 1.00 0.00 C ATOM 159 C GLU A 36 6.328 4.955 -0.481 1.00 0.00 C ATOM 160 O GLU A 36 5.437 5.234 -1.258 1.00 0.00 O ATOM 161 CB GLU A 36 7.598 6.722 0.788 1.00 0.00 C ATOM 162 CG GLU A 36 7.027 8.129 1.002 1.00 0.00 C ATOM 163 CD GLU A 36 6.284 8.590 -0.258 1.00 0.00 C ATOM 164 OE1 GLU A 36 5.133 8.217 -0.412 1.00 0.00 O ATOM 165 OE2 GLU A 36 6.876 9.313 -1.044 1.00 0.00 O ATOM 0 H GLU A 36 7.802 4.861 2.310 1.00 0.00 H new ATOM 0 HA GLU A 36 5.508 6.160 1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.350 6.505 1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.096 6.665 -0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.348 8.129 1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.832 8.826 1.235 1.00 0.00 H new ATOM 172 N ALA A 37 7.203 4.014 -0.748 1.00 0.00 N ATOM 173 CA ALA A 37 7.126 3.251 -2.032 1.00 0.00 C ATOM 174 C ALA A 37 5.845 2.412 -2.075 1.00 0.00 C ATOM 175 O ALA A 37 5.234 2.258 -3.114 1.00 0.00 O ATOM 176 CB ALA A 37 8.364 2.347 -2.045 1.00 0.00 C ATOM 0 H ALA A 37 7.968 3.742 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 37 7.102 3.912 -2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.373 1.756 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.263 2.961 -2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.337 1.680 -1.183 1.00 0.00 H new ATOM 182 N VAL A 38 5.428 1.877 -0.952 1.00 0.00 N ATOM 183 CA VAL A 38 4.178 1.054 -0.923 1.00 0.00 C ATOM 184 C VAL A 38 2.959 1.948 -1.172 1.00 0.00 C ATOM 185 O VAL A 38 2.044 1.571 -1.879 1.00 0.00 O ATOM 186 CB VAL A 38 4.130 0.440 0.483 1.00 0.00 C ATOM 187 CG1 VAL A 38 2.836 -0.360 0.656 1.00 0.00 C ATOM 188 CG2 VAL A 38 5.328 -0.496 0.678 1.00 0.00 C ATOM 0 H VAL A 38 5.900 1.975 -0.053 1.00 0.00 H new ATOM 0 HA VAL A 38 4.169 0.284 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 38 4.165 1.241 1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.807 -0.794 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.979 0.300 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.799 -1.157 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.291 -0.930 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.292 -1.292 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.253 0.068 0.561 1.00 0.00 H new ATOM 198 N LEU A 39 2.945 3.131 -0.606 1.00 0.00 N ATOM 199 CA LEU A 39 1.789 4.053 -0.822 1.00 0.00 C ATOM 200 C LEU A 39 1.724 4.464 -2.298 1.00 0.00 C ATOM 201 O LEU A 39 0.663 4.499 -2.894 1.00 0.00 O ATOM 202 CB LEU A 39 2.068 5.268 0.071 1.00 0.00 C ATOM 203 CG LEU A 39 1.892 4.877 1.542 1.00 0.00 C ATOM 204 CD1 LEU A 39 2.656 5.858 2.432 1.00 0.00 C ATOM 205 CD2 LEU A 39 0.405 4.912 1.905 1.00 0.00 C ATOM 0 H LEU A 39 3.684 3.496 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 39 0.834 3.589 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.081 5.633 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.389 6.082 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 39 2.282 3.871 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.528 5.576 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.715 5.832 2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.270 6.866 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.279 4.634 2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.016 5.918 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.140 4.209 1.275 1.00 0.00 H new ATOM 217 N ARG A 40 2.858 4.756 -2.892 1.00 0.00 N ATOM 218 CA ARG A 40 2.878 5.148 -4.334 1.00 0.00 C ATOM 219 C ARG A 40 2.582 3.922 -5.208 1.00 0.00 C ATOM 220 O ARG A 40 1.867 4.007 -6.190 1.00 0.00 O ATOM 221 CB ARG A 40 4.298 5.668 -4.592 1.00 0.00 C ATOM 222 CG ARG A 40 4.492 7.018 -3.889 1.00 0.00 C ATOM 223 CD ARG A 40 4.113 8.155 -4.842 1.00 0.00 C ATOM 224 NE ARG A 40 4.433 9.410 -4.099 1.00 0.00 N ATOM 225 CZ ARG A 40 3.514 9.999 -3.379 1.00 0.00 C ATOM 226 NH1 ARG A 40 2.440 10.474 -3.955 1.00 0.00 N ATOM 227 NH2 ARG A 40 3.669 10.112 -2.087 1.00 0.00 N ATOM 0 H ARG A 40 3.771 4.739 -2.437 1.00 0.00 H new ATOM 0 HA ARG A 40 2.127 5.902 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.031 4.949 -4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.466 5.778 -5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.876 7.063 -2.991 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.529 7.128 -3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.677 8.093 -5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.056 8.112 -5.106 1.00 0.00 H new ATOM 0 HE ARG A 40 5.370 9.809 -4.153 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.321 10.385 -4.964 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.722 10.934 -3.395 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.507 9.741 -1.639 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.952 10.572 -1.526 1.00 0.00 H new ATOM 241 N ALA A 41 3.121 2.780 -4.848 1.00 0.00 N ATOM 242 CA ALA A 41 2.870 1.538 -5.641 1.00 0.00 C ATOM 243 C ALA A 41 1.382 1.173 -5.582 1.00 0.00 C ATOM 244 O ALA A 41 0.792 0.801 -6.575 1.00 0.00 O ATOM 245 CB ALA A 41 3.714 0.451 -4.970 1.00 0.00 C ATOM 0 H ALA A 41 3.726 2.657 -4.036 1.00 0.00 H new ATOM 0 HA ALA A 41 3.132 1.660 -6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.580 -0.492 -5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.765 0.737 -4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.398 0.333 -3.933 1.00 0.00 H new ATOM 251 N VAL A 42 0.774 1.289 -4.425 1.00 0.00 N ATOM 252 CA VAL A 42 -0.680 0.960 -4.299 1.00 0.00 C ATOM 253 C VAL A 42 -1.509 1.911 -5.175 1.00 0.00 C ATOM 254 O VAL A 42 -2.437 1.496 -5.845 1.00 0.00 O ATOM 255 CB VAL A 42 -1.000 1.147 -2.808 1.00 0.00 C ATOM 256 CG1 VAL A 42 -2.505 1.359 -2.609 1.00 0.00 C ATOM 257 CG2 VAL A 42 -0.562 -0.099 -2.037 1.00 0.00 C ATOM 0 H VAL A 42 1.223 1.598 -3.563 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.916 -0.051 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.466 2.022 -2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.717 1.490 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.823 2.247 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.047 0.490 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.788 0.030 -0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.096 -0.969 -2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.510 -0.247 -2.164 1.00 0.00 H new ATOM 267 N ASP A 43 -1.172 3.178 -5.184 1.00 0.00 N ATOM 268 CA ASP A 43 -1.931 4.151 -6.026 1.00 0.00 C ATOM 269 C ASP A 43 -1.652 3.884 -7.509 1.00 0.00 C ATOM 270 O ASP A 43 -2.541 3.956 -8.336 1.00 0.00 O ATOM 271 CB ASP A 43 -1.414 5.534 -5.612 1.00 0.00 C ATOM 272 CG ASP A 43 -2.412 6.189 -4.653 1.00 0.00 C ATOM 273 OD1 ASP A 43 -2.628 5.640 -3.584 1.00 0.00 O ATOM 274 OD2 ASP A 43 -2.939 7.227 -5.003 1.00 0.00 O ATOM 0 H ASP A 43 -0.405 3.579 -4.645 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.009 4.071 -5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.440 5.441 -5.131 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.276 6.161 -6.493 1.00 0.00 H new ATOM 279 N ARG A 44 -0.429 3.554 -7.847 1.00 0.00 N ATOM 280 CA ARG A 44 -0.101 3.258 -9.273 1.00 0.00 C ATOM 281 C ARG A 44 -0.726 1.917 -9.672 1.00 0.00 C ATOM 282 O ARG A 44 -1.175 1.744 -10.786 1.00 0.00 O ATOM 283 CB ARG A 44 1.430 3.184 -9.339 1.00 0.00 C ATOM 284 CG ARG A 44 1.993 4.545 -9.756 1.00 0.00 C ATOM 285 CD ARG A 44 1.606 4.841 -11.210 1.00 0.00 C ATOM 286 NE ARG A 44 2.764 5.590 -11.777 1.00 0.00 N ATOM 287 CZ ARG A 44 2.718 6.894 -11.877 1.00 0.00 C ATOM 288 NH1 ARG A 44 1.836 7.462 -12.659 1.00 0.00 N ATOM 289 NH2 ARG A 44 3.556 7.630 -11.194 1.00 0.00 N ATOM 0 H ARG A 44 0.353 3.477 -7.197 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.488 4.016 -9.954 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.832 2.895 -8.368 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.737 2.419 -10.052 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.606 5.325 -9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.078 4.548 -9.650 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.423 3.920 -11.764 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.691 5.432 -11.262 1.00 0.00 H new ATOM 0 HE ARG A 44 3.594 5.085 -12.088 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.183 6.888 -13.192 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.802 8.479 -12.735 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.244 7.187 -10.585 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.522 8.647 -11.271 1.00 0.00 H new ATOM 303 N LEU A 45 -0.763 0.975 -8.759 1.00 0.00 N ATOM 304 CA LEU A 45 -1.367 -0.359 -9.060 1.00 0.00 C ATOM 305 C LEU A 45 -2.846 -0.201 -9.434 1.00 0.00 C ATOM 306 O LEU A 45 -3.327 -0.824 -10.362 1.00 0.00 O ATOM 307 CB LEU A 45 -1.217 -1.161 -7.762 1.00 0.00 C ATOM 308 CG LEU A 45 -1.606 -2.623 -8.002 1.00 0.00 C ATOM 309 CD1 LEU A 45 -0.601 -3.539 -7.303 1.00 0.00 C ATOM 310 CD2 LEU A 45 -3.002 -2.878 -7.431 1.00 0.00 C ATOM 0 H LEU A 45 -0.398 1.076 -7.812 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.883 -0.853 -9.902 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.188 -1.103 -7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.848 -0.731 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.605 -2.828 -9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.877 -4.580 -7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.396 -3.358 -7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.605 -3.333 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.280 -3.918 -7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.000 -2.673 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.722 -2.225 -7.924 1.00 0.00 H new ATOM 322 N ASN A 46 -3.568 0.633 -8.725 1.00 0.00 N ATOM 323 CA ASN A 46 -5.017 0.833 -9.049 1.00 0.00 C ATOM 324 C ASN A 46 -5.164 1.532 -10.406 1.00 0.00 C ATOM 325 O ASN A 46 -6.028 1.194 -11.193 1.00 0.00 O ATOM 326 CB ASN A 46 -5.577 1.716 -7.927 1.00 0.00 C ATOM 327 CG ASN A 46 -6.570 0.907 -7.085 1.00 0.00 C ATOM 328 OD1 ASN A 46 -6.364 0.717 -5.906 1.00 0.00 O ATOM 329 ND2 ASN A 46 -7.647 0.422 -7.646 1.00 0.00 N ATOM 0 H ASN A 46 -3.219 1.182 -7.939 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.551 -0.115 -9.115 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.765 2.082 -7.299 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.071 2.590 -8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.313 -0.116 -7.091 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.821 0.581 -8.638 1.00 0.00 H new ATOM 336 N GLU A 47 -4.323 2.499 -10.686 1.00 0.00 N ATOM 337 CA GLU A 47 -4.410 3.217 -11.994 1.00 0.00 C ATOM 338 C GLU A 47 -3.887 2.327 -13.131 1.00 0.00 C ATOM 339 O GLU A 47 -4.394 2.367 -14.237 1.00 0.00 O ATOM 340 CB GLU A 47 -3.528 4.458 -11.832 1.00 0.00 C ATOM 341 CG GLU A 47 -4.386 5.641 -11.374 1.00 0.00 C ATOM 342 CD GLU A 47 -4.151 6.837 -12.301 1.00 0.00 C ATOM 343 OE1 GLU A 47 -4.808 6.906 -13.327 1.00 0.00 O ATOM 344 OE2 GLU A 47 -3.316 7.662 -11.968 1.00 0.00 O ATOM 0 H GLU A 47 -3.581 2.821 -10.065 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.437 3.480 -12.247 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.740 4.264 -11.105 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.039 4.695 -12.777 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.440 5.363 -11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.135 5.909 -10.348 1.00 0.00 H new ATOM 351 N GLN A 48 -2.884 1.522 -12.864 1.00 0.00 N ATOM 352 CA GLN A 48 -2.329 0.622 -13.926 1.00 0.00 C ATOM 353 C GLN A 48 -3.371 -0.420 -14.355 1.00 0.00 C ATOM 354 O GLN A 48 -3.339 -0.913 -15.466 1.00 0.00 O ATOM 355 CB GLN A 48 -1.117 -0.064 -13.286 1.00 0.00 C ATOM 356 CG GLN A 48 0.078 0.896 -13.278 1.00 0.00 C ATOM 357 CD GLN A 48 1.087 0.491 -14.359 1.00 0.00 C ATOM 358 OE1 GLN A 48 1.265 -0.679 -14.638 1.00 0.00 O ATOM 359 NE2 GLN A 48 1.763 1.416 -14.983 1.00 0.00 N ATOM 0 H GLN A 48 -2.426 1.450 -11.956 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.055 1.179 -14.822 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.356 -0.370 -12.268 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.865 -0.968 -13.840 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.264 1.916 -13.453 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.558 0.884 -12.299 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.616 2.399 -14.752 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.438 1.157 -15.702 1.00 0.00 H new ATOM 368 N SER A 49 -4.298 -0.755 -13.487 1.00 0.00 N ATOM 369 CA SER A 49 -5.344 -1.757 -13.851 1.00 0.00 C ATOM 370 C SER A 49 -6.646 -1.042 -14.239 1.00 0.00 C ATOM 371 O SER A 49 -6.727 0.172 -14.227 1.00 0.00 O ATOM 372 CB SER A 49 -5.547 -2.603 -12.592 1.00 0.00 C ATOM 373 OG SER A 49 -5.619 -3.975 -12.957 1.00 0.00 O ATOM 0 H SER A 49 -4.373 -0.376 -12.543 1.00 0.00 H new ATOM 0 HA SER A 49 -5.050 -2.369 -14.704 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.724 -2.443 -11.895 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.461 -2.302 -12.081 1.00 0.00 H new ATOM 0 HG SER A 49 -5.747 -4.521 -12.153 1.00 0.00 H new ATOM 379 N SER A 50 -7.664 -1.790 -14.583 1.00 0.00 N ATOM 380 CA SER A 50 -8.963 -1.167 -14.973 1.00 0.00 C ATOM 381 C SER A 50 -10.075 -1.604 -14.009 1.00 0.00 C ATOM 382 O SER A 50 -11.175 -1.929 -14.418 1.00 0.00 O ATOM 383 CB SER A 50 -9.236 -1.675 -16.391 1.00 0.00 C ATOM 384 OG SER A 50 -9.684 -0.594 -17.200 1.00 0.00 O ATOM 0 H SER A 50 -7.650 -2.810 -14.610 1.00 0.00 H new ATOM 0 HA SER A 50 -8.929 -0.078 -14.934 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.331 -2.110 -16.814 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.988 -2.464 -16.369 1.00 0.00 H new ATOM 0 HG SER A 50 -9.858 -0.916 -18.109 1.00 0.00 H new ATOM 390 N GLU A 51 -9.792 -1.614 -12.727 1.00 0.00 N ATOM 391 CA GLU A 51 -10.828 -2.030 -11.729 1.00 0.00 C ATOM 392 C GLU A 51 -11.991 -1.031 -11.709 1.00 0.00 C ATOM 393 O GLU A 51 -11.866 0.102 -12.144 1.00 0.00 O ATOM 394 CB GLU A 51 -10.117 -2.037 -10.372 1.00 0.00 C ATOM 395 CG GLU A 51 -10.153 -3.450 -9.770 1.00 0.00 C ATOM 396 CD GLU A 51 -11.486 -3.708 -9.044 1.00 0.00 C ATOM 397 OE1 GLU A 51 -12.284 -2.788 -8.929 1.00 0.00 O ATOM 398 OE2 GLU A 51 -11.681 -4.830 -8.608 1.00 0.00 O ATOM 0 H GLU A 51 -8.890 -1.352 -12.330 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.247 -3.006 -11.974 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.084 -1.709 -10.491 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.599 -1.332 -9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.016 -4.189 -10.560 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.325 -3.573 -9.072 1.00 0.00 H new ATOM 405 N ALA A 52 -13.118 -1.448 -11.194 1.00 0.00 N ATOM 406 CA ALA A 52 -14.302 -0.541 -11.122 1.00 0.00 C ATOM 407 C ALA A 52 -14.178 0.386 -9.909 1.00 0.00 C ATOM 408 O ALA A 52 -14.340 1.587 -10.019 1.00 0.00 O ATOM 409 CB ALA A 52 -15.511 -1.467 -10.973 1.00 0.00 C ATOM 0 H ALA A 52 -13.270 -2.384 -10.818 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.390 0.095 -12.003 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.421 -0.870 -10.914 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.569 -2.132 -11.835 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.406 -2.060 -10.064 1.00 0.00 H new ATOM 415 N ASN A 53 -13.883 -0.162 -8.754 1.00 0.00 N ATOM 416 CA ASN A 53 -13.737 0.687 -7.536 1.00 0.00 C ATOM 417 C ASN A 53 -12.261 0.804 -7.144 1.00 0.00 C ATOM 418 O ASN A 53 -11.432 0.017 -7.561 1.00 0.00 O ATOM 419 CB ASN A 53 -14.535 -0.029 -6.441 1.00 0.00 C ATOM 420 CG ASN A 53 -15.214 1.006 -5.535 1.00 0.00 C ATOM 421 OD1 ASN A 53 -14.883 2.173 -5.567 1.00 0.00 O ATOM 422 ND2 ASN A 53 -16.160 0.626 -4.723 1.00 0.00 N ATOM 0 H ASN A 53 -13.738 -1.161 -8.605 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.102 1.701 -7.699 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.285 -0.680 -6.891 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.873 -0.664 -5.852 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.618 1.308 -4.119 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.442 -0.354 -4.692 1.00 0.00 H new ATOM 429 N LEU A 54 -11.928 1.786 -6.343 1.00 0.00 N ATOM 430 CA LEU A 54 -10.503 1.966 -5.920 1.00 0.00 C ATOM 431 C LEU A 54 -10.161 1.003 -4.777 1.00 0.00 C ATOM 432 O LEU A 54 -11.038 0.464 -4.127 1.00 0.00 O ATOM 433 CB LEU A 54 -10.403 3.418 -5.446 1.00 0.00 C ATOM 434 CG LEU A 54 -10.096 4.330 -6.637 1.00 0.00 C ATOM 435 CD1 LEU A 54 -10.150 5.790 -6.187 1.00 0.00 C ATOM 436 CD2 LEU A 54 -8.697 4.020 -7.177 1.00 0.00 C ATOM 0 H LEU A 54 -12.581 2.471 -5.963 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.806 1.756 -6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.338 3.722 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.621 3.512 -4.693 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.834 4.159 -7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.932 6.440 -7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.145 6.016 -5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.412 5.956 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.482 4.671 -8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.959 4.189 -6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.653 2.979 -7.498 1.00 0.00 H new ATOM 448 N TYR A 55 -8.892 0.781 -4.529 1.00 0.00 N ATOM 449 CA TYR A 55 -8.495 -0.151 -3.432 1.00 0.00 C ATOM 450 C TYR A 55 -7.315 0.417 -2.636 1.00 0.00 C ATOM 451 O TYR A 55 -6.170 0.089 -2.882 1.00 0.00 O ATOM 452 CB TYR A 55 -8.096 -1.451 -4.136 1.00 0.00 C ATOM 453 CG TYR A 55 -9.332 -2.271 -4.403 1.00 0.00 C ATOM 454 CD1 TYR A 55 -9.825 -3.132 -3.417 1.00 0.00 C ATOM 455 CD2 TYR A 55 -9.987 -2.166 -5.633 1.00 0.00 C ATOM 456 CE1 TYR A 55 -10.976 -3.888 -3.662 1.00 0.00 C ATOM 457 CE2 TYR A 55 -11.136 -2.922 -5.878 1.00 0.00 C ATOM 458 CZ TYR A 55 -11.632 -3.783 -4.894 1.00 0.00 C ATOM 459 OH TYR A 55 -12.764 -4.530 -5.141 1.00 0.00 O ATOM 0 H TYR A 55 -8.117 1.205 -5.039 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.304 -0.305 -2.718 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.583 -1.229 -5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.398 -2.014 -3.516 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.317 -3.213 -2.467 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.605 -1.501 -6.394 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.358 -4.552 -2.901 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -11.642 -2.841 -6.829 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.657 -5.016 -5.985 1.00 0.00 H new ATOM 469 N ARG A 56 -7.591 1.259 -1.671 1.00 0.00 N ATOM 470 CA ARG A 56 -6.490 1.838 -0.845 1.00 0.00 C ATOM 471 C ARG A 56 -5.830 0.723 -0.024 1.00 0.00 C ATOM 472 O ARG A 56 -6.458 -0.266 0.310 1.00 0.00 O ATOM 473 CB ARG A 56 -7.170 2.865 0.071 1.00 0.00 C ATOM 474 CG ARG A 56 -6.116 3.588 0.914 1.00 0.00 C ATOM 475 CD ARG A 56 -6.170 3.071 2.354 1.00 0.00 C ATOM 476 NE ARG A 56 -5.623 4.181 3.186 1.00 0.00 N ATOM 477 CZ ARG A 56 -4.463 4.049 3.774 1.00 0.00 C ATOM 478 NH1 ARG A 56 -4.366 3.349 4.875 1.00 0.00 N ATOM 479 NH2 ARG A 56 -3.401 4.615 3.261 1.00 0.00 N ATOM 0 H ARG A 56 -8.530 1.569 -1.421 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.709 2.302 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.728 3.586 -0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.889 2.366 0.721 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.124 3.423 0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.295 4.663 0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.191 2.825 2.647 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.578 2.163 2.469 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.155 5.044 3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.195 2.907 5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.462 3.245 5.335 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.478 5.160 2.402 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.496 4.512 3.720 1.00 0.00 H new ATOM 493 N LEU A 57 -4.567 0.867 0.287 1.00 0.00 N ATOM 494 CA LEU A 57 -3.863 -0.194 1.073 1.00 0.00 C ATOM 495 C LEU A 57 -4.453 -0.315 2.482 1.00 0.00 C ATOM 496 O LEU A 57 -4.332 0.577 3.303 1.00 0.00 O ATOM 497 CB LEU A 57 -2.400 0.251 1.137 1.00 0.00 C ATOM 498 CG LEU A 57 -1.559 -0.852 1.786 1.00 0.00 C ATOM 499 CD1 LEU A 57 -0.222 -0.970 1.058 1.00 0.00 C ATOM 500 CD2 LEU A 57 -1.308 -0.509 3.256 1.00 0.00 C ATOM 0 H LEU A 57 -3.993 1.671 0.032 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.970 -1.174 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.029 0.463 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.314 1.174 1.711 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.095 -1.799 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.376 -1.755 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.398 -1.217 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.312 -0.022 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.709 -1.295 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.774 0.439 3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.261 -0.426 3.778 1.00 0.00 H new ATOM 512 N LEU A 58 -5.073 -1.431 2.767 1.00 0.00 N ATOM 513 CA LEU A 58 -5.661 -1.653 4.120 1.00 0.00 C ATOM 514 C LEU A 58 -4.553 -2.075 5.093 1.00 0.00 C ATOM 515 O LEU A 58 -4.463 -1.578 6.200 1.00 0.00 O ATOM 516 CB LEU A 58 -6.677 -2.783 3.924 1.00 0.00 C ATOM 517 CG LEU A 58 -7.471 -2.997 5.213 1.00 0.00 C ATOM 518 CD1 LEU A 58 -8.486 -1.863 5.386 1.00 0.00 C ATOM 519 CD2 LEU A 58 -8.213 -4.334 5.136 1.00 0.00 C ATOM 0 H LEU A 58 -5.198 -2.204 2.114 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.130 -0.760 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.354 -2.537 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.162 -3.703 3.647 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.788 -3.005 6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.051 -2.017 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.961 -0.909 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.170 -1.854 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.780 -4.489 6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.895 -4.323 4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.493 -5.143 5.013 1.00 0.00 H new ATOM 531 N GLU A 59 -3.704 -2.982 4.675 1.00 0.00 N ATOM 532 CA GLU A 59 -2.585 -3.440 5.551 1.00 0.00 C ATOM 533 C GLU A 59 -1.339 -3.727 4.701 1.00 0.00 C ATOM 534 O GLU A 59 -1.433 -4.250 3.606 1.00 0.00 O ATOM 535 CB GLU A 59 -3.094 -4.720 6.223 1.00 0.00 C ATOM 536 CG GLU A 59 -3.102 -4.534 7.744 1.00 0.00 C ATOM 537 CD GLU A 59 -1.805 -5.090 8.336 1.00 0.00 C ATOM 538 OE1 GLU A 59 -0.791 -4.418 8.229 1.00 0.00 O ATOM 539 OE2 GLU A 59 -1.848 -6.177 8.884 1.00 0.00 O ATOM 0 H GLU A 59 -3.740 -3.427 3.758 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.301 -2.689 6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.098 -4.953 5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.457 -5.562 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.202 -3.477 7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.961 -5.046 8.179 1.00 0.00 H new ATOM 546 N LEU A 60 -0.176 -3.384 5.197 1.00 0.00 N ATOM 547 CA LEU A 60 1.080 -3.628 4.422 1.00 0.00 C ATOM 548 C LEU A 60 1.900 -4.744 5.077 1.00 0.00 C ATOM 549 O LEU A 60 1.969 -4.854 6.286 1.00 0.00 O ATOM 550 CB LEU A 60 1.840 -2.295 4.465 1.00 0.00 C ATOM 551 CG LEU A 60 3.268 -2.471 3.928 1.00 0.00 C ATOM 552 CD1 LEU A 60 3.227 -2.897 2.459 1.00 0.00 C ATOM 553 CD2 LEU A 60 4.020 -1.142 4.047 1.00 0.00 C ATOM 0 H LEU A 60 -0.042 -2.944 6.108 1.00 0.00 H new ATOM 0 HA LEU A 60 0.880 -3.946 3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.311 -1.549 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.874 -1.922 5.489 1.00 0.00 H new ATOM 0 HG LEU A 60 3.777 -3.240 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.244 -3.019 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.692 -3.842 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.716 -2.133 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.034 -1.263 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.503 -0.378 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.058 -0.838 5.093 1.00 0.00 H new ATOM 565 N ASP A 61 2.523 -5.567 4.276 1.00 0.00 N ATOM 566 CA ASP A 61 3.347 -6.683 4.825 1.00 0.00 C ATOM 567 C ASP A 61 4.834 -6.316 4.779 1.00 0.00 C ATOM 568 O ASP A 61 5.223 -5.335 4.174 1.00 0.00 O ATOM 569 CB ASP A 61 3.055 -7.874 3.910 1.00 0.00 C ATOM 570 CG ASP A 61 2.999 -9.160 4.740 1.00 0.00 C ATOM 571 OD1 ASP A 61 4.045 -9.603 5.182 1.00 0.00 O ATOM 572 OD2 ASP A 61 1.910 -9.678 4.918 1.00 0.00 O ATOM 0 H ASP A 61 2.496 -5.513 3.258 1.00 0.00 H new ATOM 0 HA ASP A 61 3.109 -6.902 5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.108 -7.723 3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.828 -7.956 3.146 1.00 0.00 H new ATOM 577 N GLN A 62 5.664 -7.102 5.415 1.00 0.00 N ATOM 578 CA GLN A 62 7.130 -6.815 5.417 1.00 0.00 C ATOM 579 C GLN A 62 7.886 -7.919 4.659 1.00 0.00 C ATOM 580 O GLN A 62 8.270 -8.918 5.239 1.00 0.00 O ATOM 581 CB GLN A 62 7.525 -6.794 6.896 1.00 0.00 C ATOM 582 CG GLN A 62 8.637 -5.765 7.116 1.00 0.00 C ATOM 583 CD GLN A 62 9.347 -6.053 8.440 1.00 0.00 C ATOM 584 OE1 GLN A 62 8.874 -5.672 9.492 1.00 0.00 O ATOM 585 NE2 GLN A 62 10.472 -6.716 8.433 1.00 0.00 N ATOM 0 H GLN A 62 5.388 -7.935 5.936 1.00 0.00 H new ATOM 0 HA GLN A 62 7.373 -5.875 4.922 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.660 -6.546 7.510 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.864 -7.782 7.206 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.351 -5.804 6.293 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.218 -4.759 7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.870 -7.036 7.550 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.953 -6.914 9.311 1.00 0.00 H new ATOM 594 N PRO A 63 8.069 -7.699 3.377 1.00 0.00 N ATOM 595 CA PRO A 63 8.782 -8.683 2.520 1.00 0.00 C ATOM 596 C PRO A 63 10.298 -8.634 2.781 1.00 0.00 C ATOM 597 O PRO A 63 10.763 -7.831 3.569 1.00 0.00 O ATOM 598 CB PRO A 63 8.455 -8.220 1.102 1.00 0.00 C ATOM 599 CG PRO A 63 8.147 -6.762 1.223 1.00 0.00 C ATOM 600 CD PRO A 63 7.633 -6.522 2.617 1.00 0.00 C ATOM 0 HA PRO A 63 8.481 -9.713 2.709 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.296 -8.390 0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.606 -8.769 0.695 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.039 -6.165 1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.403 -6.465 0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.042 -5.604 3.038 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.548 -6.422 2.628 1.00 0.00 H new ATOM 608 N PRO A 64 11.024 -9.500 2.107 1.00 0.00 N ATOM 609 CA PRO A 64 12.502 -9.551 2.271 1.00 0.00 C ATOM 610 C PRO A 64 13.165 -8.310 1.661 1.00 0.00 C ATOM 611 O PRO A 64 12.690 -7.755 0.690 1.00 0.00 O ATOM 612 CB PRO A 64 12.905 -10.815 1.511 1.00 0.00 C ATOM 613 CG PRO A 64 11.812 -11.029 0.516 1.00 0.00 C ATOM 614 CD PRO A 64 10.547 -10.503 1.140 1.00 0.00 C ATOM 0 HA PRO A 64 12.811 -9.568 3.316 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.869 -10.689 1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.000 -11.667 2.184 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.030 -10.507 -0.416 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.712 -12.087 0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.888 -10.058 0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.983 -11.296 1.631 1.00 0.00 H new ATOM 622 N LYS A 65 14.267 -7.883 2.233 1.00 0.00 N ATOM 623 CA LYS A 65 14.998 -6.681 1.713 1.00 0.00 C ATOM 624 C LYS A 65 14.056 -5.476 1.591 1.00 0.00 C ATOM 625 O LYS A 65 13.858 -4.930 0.520 1.00 0.00 O ATOM 626 CB LYS A 65 15.551 -7.093 0.339 1.00 0.00 C ATOM 627 CG LYS A 65 16.326 -8.413 0.450 1.00 0.00 C ATOM 628 CD LYS A 65 17.477 -8.263 1.451 1.00 0.00 C ATOM 629 CE LYS A 65 17.523 -9.490 2.369 1.00 0.00 C ATOM 630 NZ LYS A 65 18.330 -9.065 3.550 1.00 0.00 N ATOM 0 H LYS A 65 14.696 -8.321 3.048 1.00 0.00 H new ATOM 0 HA LYS A 65 15.797 -6.375 2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.732 -7.203 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.205 -6.311 -0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.657 -9.211 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.717 -8.698 -0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 65 18.423 -8.158 0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.342 -7.358 2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.520 -9.797 2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.980 -10.342 1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.183 -9.737 4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 19.338 -9.047 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.032 -8.115 3.850 1.00 0.00 H new ATOM 644 N ALA A 66 13.487 -5.056 2.692 1.00 0.00 N ATOM 645 CA ALA A 66 12.562 -3.881 2.667 1.00 0.00 C ATOM 646 C ALA A 66 13.259 -2.623 3.215 1.00 0.00 C ATOM 647 O ALA A 66 12.625 -1.612 3.447 1.00 0.00 O ATOM 648 CB ALA A 66 11.384 -4.277 3.559 1.00 0.00 C ATOM 0 H ALA A 66 13.623 -5.477 3.611 1.00 0.00 H new ATOM 0 HA ALA A 66 12.242 -3.640 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.661 -3.462 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.907 -5.170 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.744 -4.481 4.567 1.00 0.00 H new ATOM 654 N ASP A 67 14.559 -2.672 3.404 1.00 0.00 N ATOM 655 CA ASP A 67 15.303 -1.477 3.916 1.00 0.00 C ATOM 656 C ASP A 67 16.818 -1.718 3.816 1.00 0.00 C ATOM 657 O ASP A 67 17.567 -1.389 4.717 1.00 0.00 O ATOM 658 CB ASP A 67 14.872 -1.326 5.381 1.00 0.00 C ATOM 659 CG ASP A 67 14.655 0.155 5.707 1.00 0.00 C ATOM 660 OD1 ASP A 67 13.637 0.691 5.296 1.00 0.00 O ATOM 661 OD2 ASP A 67 15.508 0.729 6.365 1.00 0.00 O ATOM 0 H ASP A 67 15.137 -3.493 3.224 1.00 0.00 H new ATOM 0 HA ASP A 67 15.085 -0.578 3.340 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.954 -1.886 5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.633 -1.745 6.039 1.00 0.00 H new ATOM 666 N GLU A 68 17.276 -2.296 2.728 1.00 0.00 N ATOM 667 CA GLU A 68 18.743 -2.563 2.581 1.00 0.00 C ATOM 668 C GLU A 68 19.146 -2.780 1.107 1.00 0.00 C ATOM 669 O GLU A 68 20.110 -3.468 0.825 1.00 0.00 O ATOM 670 CB GLU A 68 18.998 -3.834 3.406 1.00 0.00 C ATOM 671 CG GLU A 68 18.138 -4.991 2.878 1.00 0.00 C ATOM 672 CD GLU A 68 17.254 -5.536 4.007 1.00 0.00 C ATOM 673 OE1 GLU A 68 16.197 -4.972 4.229 1.00 0.00 O ATOM 674 OE2 GLU A 68 17.648 -6.514 4.622 1.00 0.00 O ATOM 0 H GLU A 68 16.700 -2.592 1.940 1.00 0.00 H new ATOM 0 HA GLU A 68 19.336 -1.715 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 68 20.053 -4.103 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.766 -3.648 4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.517 -4.647 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.777 -5.784 2.489 1.00 0.00 H new ATOM 681 N ASP A 69 18.435 -2.192 0.171 1.00 0.00 N ATOM 682 CA ASP A 69 18.796 -2.359 -1.273 1.00 0.00 C ATOM 683 C ASP A 69 18.086 -1.286 -2.114 1.00 0.00 C ATOM 684 O ASP A 69 16.939 -1.447 -2.486 1.00 0.00 O ATOM 685 CB ASP A 69 18.318 -3.766 -1.663 1.00 0.00 C ATOM 686 CG ASP A 69 19.513 -4.731 -1.733 1.00 0.00 C ATOM 687 OD1 ASP A 69 20.558 -4.330 -2.226 1.00 0.00 O ATOM 688 OD2 ASP A 69 19.359 -5.858 -1.292 1.00 0.00 O ATOM 0 H ASP A 69 17.620 -1.604 0.346 1.00 0.00 H new ATOM 0 HA ASP A 69 19.866 -2.247 -1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 69 17.592 -4.127 -0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.812 -3.732 -2.628 1.00 0.00 H new ATOM 693 N PRO A 70 18.798 -0.208 -2.360 1.00 0.00 N ATOM 694 CA PRO A 70 18.238 0.927 -3.141 1.00 0.00 C ATOM 695 C PRO A 70 18.242 0.650 -4.656 1.00 0.00 C ATOM 696 O PRO A 70 17.206 0.676 -5.292 1.00 0.00 O ATOM 697 CB PRO A 70 19.174 2.084 -2.796 1.00 0.00 C ATOM 698 CG PRO A 70 20.473 1.449 -2.397 1.00 0.00 C ATOM 699 CD PRO A 70 20.176 0.047 -1.926 1.00 0.00 C ATOM 0 HA PRO A 70 17.194 1.122 -2.896 1.00 0.00 H new ATOM 0 HB2 PRO A 70 19.308 2.747 -3.651 1.00 0.00 H new ATOM 0 HB3 PRO A 70 18.768 2.688 -1.985 1.00 0.00 H new ATOM 0 HG2 PRO A 70 21.164 1.430 -3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 70 20.952 2.025 -1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 70 20.868 -0.673 -2.363 1.00 0.00 H new ATOM 0 HD3 PRO A 70 20.272 -0.036 -0.843 1.00 0.00 H new ATOM 707 N GLY A 71 19.394 0.407 -5.240 1.00 0.00 N ATOM 708 CA GLY A 71 19.463 0.154 -6.716 1.00 0.00 C ATOM 709 C GLY A 71 18.681 -1.113 -7.090 1.00 0.00 C ATOM 710 O GLY A 71 18.090 -1.193 -8.151 1.00 0.00 O ATOM 0 H GLY A 71 20.291 0.373 -4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 71 19.057 1.010 -7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 71 20.504 0.048 -7.023 1.00 0.00 H new ATOM 714 N THR A 72 18.681 -2.101 -6.234 1.00 0.00 N ATOM 715 CA THR A 72 17.945 -3.370 -6.539 1.00 0.00 C ATOM 716 C THR A 72 16.429 -3.136 -6.457 1.00 0.00 C ATOM 717 O THR A 72 15.984 -2.205 -5.813 1.00 0.00 O ATOM 718 CB THR A 72 18.388 -4.382 -5.465 1.00 0.00 C ATOM 719 OG1 THR A 72 19.443 -3.836 -4.679 1.00 0.00 O ATOM 720 CG2 THR A 72 18.866 -5.674 -6.133 1.00 0.00 C ATOM 0 H THR A 72 19.160 -2.086 -5.333 1.00 0.00 H new ATOM 0 HA THR A 72 18.164 -3.731 -7.544 1.00 0.00 H new ATOM 0 HB THR A 72 17.538 -4.600 -4.819 1.00 0.00 H new ATOM 0 HG1 THR A 72 20.114 -4.529 -4.506 1.00 0.00 H new ATOM 0 HG21 THR A 72 19.178 -6.385 -5.368 1.00 0.00 H new ATOM 0 HG22 THR A 72 18.053 -6.104 -6.718 1.00 0.00 H new ATOM 0 HG23 THR A 72 19.708 -5.454 -6.789 1.00 0.00 H new ATOM 728 N PRO A 73 15.679 -4.000 -7.103 1.00 0.00 N ATOM 729 CA PRO A 73 14.197 -3.882 -7.085 1.00 0.00 C ATOM 730 C PRO A 73 13.669 -4.138 -5.667 1.00 0.00 C ATOM 731 O PRO A 73 14.188 -4.969 -4.944 1.00 0.00 O ATOM 732 CB PRO A 73 13.736 -4.965 -8.062 1.00 0.00 C ATOM 733 CG PRO A 73 14.857 -5.950 -8.087 1.00 0.00 C ATOM 734 CD PRO A 73 16.121 -5.156 -7.895 1.00 0.00 C ATOM 0 HA PRO A 73 13.833 -2.894 -7.368 1.00 0.00 H new ATOM 0 HB2 PRO A 73 12.807 -5.429 -7.730 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.549 -4.552 -9.053 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.740 -6.692 -7.297 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.878 -6.492 -9.033 1.00 0.00 H new ATOM 0 HD2 PRO A 73 16.883 -5.734 -7.372 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.552 -4.849 -8.848 1.00 0.00 H new ATOM 742 N LYS A 74 12.658 -3.417 -5.263 1.00 0.00 N ATOM 743 CA LYS A 74 12.108 -3.599 -3.887 1.00 0.00 C ATOM 744 C LYS A 74 10.808 -4.409 -3.922 1.00 0.00 C ATOM 745 O LYS A 74 9.816 -3.957 -4.459 1.00 0.00 O ATOM 746 CB LYS A 74 11.839 -2.181 -3.381 1.00 0.00 C ATOM 747 CG LYS A 74 12.084 -2.122 -1.875 1.00 0.00 C ATOM 748 CD LYS A 74 13.530 -1.695 -1.608 1.00 0.00 C ATOM 749 CE LYS A 74 13.548 -0.592 -0.547 1.00 0.00 C ATOM 750 NZ LYS A 74 13.261 -1.283 0.739 1.00 0.00 N ATOM 0 H LYS A 74 12.188 -2.709 -5.827 1.00 0.00 H new ATOM 0 HA LYS A 74 12.797 -4.145 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.488 -1.471 -3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.812 -1.892 -3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.394 -1.417 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.893 -3.097 -1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.116 -2.549 -1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.991 -1.337 -2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.515 -0.090 -0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.799 0.171 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.551 -0.675 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.242 -1.479 0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.789 -2.178 0.778 1.00 0.00 H new ATOM 764 N PRO A 75 10.854 -5.581 -3.335 1.00 0.00 N ATOM 765 CA PRO A 75 9.658 -6.457 -3.287 1.00 0.00 C ATOM 766 C PRO A 75 8.620 -5.863 -2.330 1.00 0.00 C ATOM 767 O PRO A 75 8.907 -5.586 -1.182 1.00 0.00 O ATOM 768 CB PRO A 75 10.206 -7.785 -2.768 1.00 0.00 C ATOM 769 CG PRO A 75 11.440 -7.422 -2.011 1.00 0.00 C ATOM 770 CD PRO A 75 12.009 -6.195 -2.668 1.00 0.00 C ATOM 0 HA PRO A 75 9.156 -6.569 -4.248 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.482 -8.287 -2.126 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.432 -8.467 -3.588 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.208 -7.227 -0.964 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.160 -8.240 -2.031 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.453 -5.520 -1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.792 -6.451 -3.381 1.00 0.00 H new ATOM 778 N VAL A 76 7.421 -5.651 -2.806 1.00 0.00 N ATOM 779 CA VAL A 76 6.353 -5.059 -1.942 1.00 0.00 C ATOM 780 C VAL A 76 5.142 -5.999 -1.868 1.00 0.00 C ATOM 781 O VAL A 76 4.829 -6.700 -2.813 1.00 0.00 O ATOM 782 CB VAL A 76 5.954 -3.736 -2.619 1.00 0.00 C ATOM 783 CG1 VAL A 76 5.312 -2.807 -1.587 1.00 0.00 C ATOM 784 CG2 VAL A 76 7.187 -3.043 -3.211 1.00 0.00 C ATOM 0 H VAL A 76 7.133 -5.863 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 76 6.705 -4.903 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 76 5.247 -3.955 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.030 -1.870 -2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.424 -3.284 -1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.024 -2.605 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.887 -2.109 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.903 -2.832 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.650 -3.694 -3.952 1.00 0.00 H new ATOM 794 N SER A 77 4.455 -6.005 -0.756 1.00 0.00 N ATOM 795 CA SER A 77 3.253 -6.885 -0.605 1.00 0.00 C ATOM 796 C SER A 77 2.260 -6.236 0.367 1.00 0.00 C ATOM 797 O SER A 77 2.637 -5.785 1.431 1.00 0.00 O ATOM 798 CB SER A 77 3.786 -8.203 -0.039 1.00 0.00 C ATOM 799 OG SER A 77 4.186 -9.049 -1.112 1.00 0.00 O ATOM 0 H SER A 77 4.675 -5.435 0.061 1.00 0.00 H new ATOM 0 HA SER A 77 2.727 -7.041 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.631 -8.012 0.623 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.017 -8.693 0.558 1.00 0.00 H new ATOM 0 HG SER A 77 4.516 -8.501 -1.855 1.00 0.00 H new ATOM 805 N PHE A 78 0.997 -6.168 0.010 1.00 0.00 N ATOM 806 CA PHE A 78 0.005 -5.523 0.928 1.00 0.00 C ATOM 807 C PHE A 78 -1.430 -5.905 0.562 1.00 0.00 C ATOM 808 O PHE A 78 -1.710 -6.370 -0.529 1.00 0.00 O ATOM 809 CB PHE A 78 0.197 -4.009 0.752 1.00 0.00 C ATOM 810 CG PHE A 78 0.310 -3.653 -0.717 1.00 0.00 C ATOM 811 CD1 PHE A 78 -0.845 -3.526 -1.498 1.00 0.00 C ATOM 812 CD2 PHE A 78 1.570 -3.444 -1.295 1.00 0.00 C ATOM 813 CE1 PHE A 78 -0.742 -3.192 -2.853 1.00 0.00 C ATOM 814 CE2 PHE A 78 1.673 -3.110 -2.650 1.00 0.00 C ATOM 815 CZ PHE A 78 0.517 -2.984 -3.430 1.00 0.00 C ATOM 0 H PHE A 78 0.615 -6.526 -0.865 1.00 0.00 H new ATOM 0 HA PHE A 78 0.165 -5.847 1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.643 -3.476 1.197 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.095 -3.687 1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.817 -3.686 -1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.462 -3.541 -0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.634 -3.095 -3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.644 -2.949 -3.094 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.596 -2.727 -4.476 1.00 0.00 H new ATOM 825 N THR A 79 -2.342 -5.681 1.469 1.00 0.00 N ATOM 826 CA THR A 79 -3.771 -5.995 1.196 1.00 0.00 C ATOM 827 C THR A 79 -4.528 -4.696 0.927 1.00 0.00 C ATOM 828 O THR A 79 -4.351 -3.711 1.618 1.00 0.00 O ATOM 829 CB THR A 79 -4.302 -6.683 2.459 1.00 0.00 C ATOM 830 OG1 THR A 79 -3.843 -5.993 3.614 1.00 0.00 O ATOM 831 CG2 THR A 79 -3.809 -8.130 2.497 1.00 0.00 C ATOM 0 H THR A 79 -2.156 -5.291 2.393 1.00 0.00 H new ATOM 0 HA THR A 79 -3.895 -6.638 0.324 1.00 0.00 H new ATOM 0 HB THR A 79 -5.392 -6.670 2.444 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.903 -6.584 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.186 -8.619 3.395 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.170 -8.660 1.616 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.719 -8.143 2.508 1.00 0.00 H new ATOM 839 N VAL A 80 -5.362 -4.685 -0.076 1.00 0.00 N ATOM 840 CA VAL A 80 -6.131 -3.445 -0.404 1.00 0.00 C ATOM 841 C VAL A 80 -7.636 -3.704 -0.260 1.00 0.00 C ATOM 842 O VAL A 80 -8.128 -4.759 -0.609 1.00 0.00 O ATOM 843 CB VAL A 80 -5.754 -3.096 -1.854 1.00 0.00 C ATOM 844 CG1 VAL A 80 -4.233 -2.932 -1.967 1.00 0.00 C ATOM 845 CG2 VAL A 80 -6.214 -4.206 -2.807 1.00 0.00 C ATOM 0 H VAL A 80 -5.546 -5.482 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.894 -2.621 0.269 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.248 -2.163 -2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.969 -2.685 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.903 -2.131 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.744 -3.863 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.940 -3.945 -3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.733 -5.145 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.296 -4.319 -2.739 1.00 0.00 H new ATOM 855 N LYS A 81 -8.363 -2.747 0.262 1.00 0.00 N ATOM 856 CA LYS A 81 -9.839 -2.924 0.449 1.00 0.00 C ATOM 857 C LYS A 81 -10.616 -1.963 -0.465 1.00 0.00 C ATOM 858 O LYS A 81 -10.098 -0.955 -0.900 1.00 0.00 O ATOM 859 CB LYS A 81 -10.088 -2.589 1.925 1.00 0.00 C ATOM 860 CG LYS A 81 -11.585 -2.661 2.227 1.00 0.00 C ATOM 861 CD LYS A 81 -11.791 -3.103 3.677 1.00 0.00 C ATOM 862 CE LYS A 81 -12.785 -4.267 3.718 1.00 0.00 C ATOM 863 NZ LYS A 81 -12.531 -4.965 5.016 1.00 0.00 N ATOM 0 H LYS A 81 -7.997 -1.846 0.569 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.171 -3.931 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.545 -3.287 2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.710 -1.592 2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.047 -1.688 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.071 -3.363 1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.840 -3.407 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.165 -2.270 4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.812 -3.908 3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.635 -4.941 2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.064 -5.876 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.918 -4.375 5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.434 -5.130 5.504 1.00 0.00 H new ATOM 877 N GLU A 82 -11.854 -2.276 -0.759 1.00 0.00 N ATOM 878 CA GLU A 82 -12.673 -1.388 -1.648 1.00 0.00 C ATOM 879 C GLU A 82 -13.046 -0.078 -0.930 1.00 0.00 C ATOM 880 O GLU A 82 -13.517 -0.087 0.191 1.00 0.00 O ATOM 881 CB GLU A 82 -13.936 -2.199 -1.957 1.00 0.00 C ATOM 882 CG GLU A 82 -14.308 -2.036 -3.432 1.00 0.00 C ATOM 883 CD GLU A 82 -15.581 -2.832 -3.730 1.00 0.00 C ATOM 884 OE1 GLU A 82 -15.548 -4.046 -3.581 1.00 0.00 O ATOM 885 OE2 GLU A 82 -16.568 -2.214 -4.097 1.00 0.00 O ATOM 0 H GLU A 82 -12.336 -3.110 -0.422 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.127 -1.104 -2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.768 -3.252 -1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.759 -1.863 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.463 -0.982 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.492 -2.385 -4.064 1.00 0.00 H new ATOM 892 N THR A 83 -12.851 1.046 -1.583 1.00 0.00 N ATOM 893 CA THR A 83 -13.208 2.367 -0.959 1.00 0.00 C ATOM 894 C THR A 83 -14.593 2.821 -1.447 1.00 0.00 C ATOM 895 O THR A 83 -15.221 2.161 -2.254 1.00 0.00 O ATOM 896 CB THR A 83 -12.129 3.354 -1.435 1.00 0.00 C ATOM 897 OG1 THR A 83 -11.959 3.244 -2.845 1.00 0.00 O ATOM 898 CG2 THR A 83 -10.805 3.051 -0.734 1.00 0.00 C ATOM 0 H THR A 83 -12.459 1.107 -2.523 1.00 0.00 H new ATOM 0 HA THR A 83 -13.248 2.306 0.129 1.00 0.00 H new ATOM 0 HB THR A 83 -12.443 4.369 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.751 3.600 -3.299 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.044 3.753 -1.075 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.933 3.150 0.344 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.492 2.034 -0.971 1.00 0.00 H new ATOM 906 N VAL A 84 -15.069 3.946 -0.971 1.00 0.00 N ATOM 907 CA VAL A 84 -16.413 4.437 -1.419 1.00 0.00 C ATOM 908 C VAL A 84 -16.309 5.153 -2.777 1.00 0.00 C ATOM 909 O VAL A 84 -17.293 5.304 -3.476 1.00 0.00 O ATOM 910 CB VAL A 84 -16.896 5.415 -0.333 1.00 0.00 C ATOM 911 CG1 VAL A 84 -16.901 4.721 1.032 1.00 0.00 C ATOM 912 CG2 VAL A 84 -15.973 6.639 -0.280 1.00 0.00 C ATOM 0 H VAL A 84 -14.590 4.543 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 84 -17.109 3.609 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.908 5.737 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.244 5.420 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -17.570 3.861 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -15.892 4.387 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -16.323 7.325 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -14.957 6.319 -0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.982 7.144 -1.246 1.00 0.00 H new ATOM 922 N CYS A 85 -15.131 5.598 -3.154 1.00 0.00 N ATOM 923 CA CYS A 85 -14.978 6.308 -4.462 1.00 0.00 C ATOM 924 C CYS A 85 -14.622 5.323 -5.580 1.00 0.00 C ATOM 925 O CYS A 85 -13.640 4.609 -5.487 1.00 0.00 O ATOM 926 CB CYS A 85 -13.835 7.300 -4.250 1.00 0.00 C ATOM 927 SG CYS A 85 -14.428 8.700 -3.270 1.00 0.00 S ATOM 0 H CYS A 85 -14.272 5.499 -2.612 1.00 0.00 H new ATOM 0 HA CYS A 85 -15.903 6.801 -4.760 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -13.004 6.811 -3.741 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -13.458 7.649 -5.212 1.00 0.00 H new ATOM 932 N PRO A 86 -15.431 5.325 -6.615 1.00 0.00 N ATOM 933 CA PRO A 86 -15.188 4.426 -7.770 1.00 0.00 C ATOM 934 C PRO A 86 -14.017 4.946 -8.616 1.00 0.00 C ATOM 935 O PRO A 86 -13.552 6.056 -8.435 1.00 0.00 O ATOM 936 CB PRO A 86 -16.497 4.486 -8.554 1.00 0.00 C ATOM 937 CG PRO A 86 -17.112 5.800 -8.190 1.00 0.00 C ATOM 938 CD PRO A 86 -16.632 6.152 -6.805 1.00 0.00 C ATOM 0 HA PRO A 86 -14.922 3.411 -7.475 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -16.317 4.419 -9.627 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -17.153 3.657 -8.289 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -16.822 6.571 -8.904 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.200 5.735 -8.215 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.401 7.214 -6.722 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -17.390 5.931 -6.053 1.00 0.00 H new ATOM 946 N ARG A 87 -13.543 4.152 -9.538 1.00 0.00 N ATOM 947 CA ARG A 87 -12.405 4.595 -10.401 1.00 0.00 C ATOM 948 C ARG A 87 -12.937 5.096 -11.755 1.00 0.00 C ATOM 949 O ARG A 87 -13.923 4.584 -12.249 1.00 0.00 O ATOM 950 CB ARG A 87 -11.545 3.340 -10.601 1.00 0.00 C ATOM 951 CG ARG A 87 -10.173 3.529 -9.947 1.00 0.00 C ATOM 952 CD ARG A 87 -9.116 3.778 -11.029 1.00 0.00 C ATOM 953 NE ARG A 87 -8.910 2.455 -11.688 1.00 0.00 N ATOM 954 CZ ARG A 87 -8.933 2.361 -12.991 1.00 0.00 C ATOM 955 NH1 ARG A 87 -7.904 2.763 -13.692 1.00 0.00 N ATOM 956 NH2 ARG A 87 -9.982 1.857 -13.590 1.00 0.00 N ATOM 0 H ARG A 87 -13.894 3.214 -9.733 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.839 5.412 -9.952 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.046 2.474 -10.168 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.424 3.139 -11.665 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.203 4.369 -9.253 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.911 2.645 -9.366 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.455 4.526 -11.746 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.188 4.150 -10.595 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.751 1.623 -11.120 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.086 3.149 -13.221 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.920 2.690 -14.709 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.780 1.539 -13.040 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.002 1.783 -14.607 1.00 0.00 H new ATOM 970 N PRO A 88 -12.261 6.070 -12.334 1.00 0.00 N ATOM 971 CA PRO A 88 -11.060 6.689 -11.723 1.00 0.00 C ATOM 972 C PRO A 88 -11.448 7.925 -10.890 1.00 0.00 C ATOM 973 O PRO A 88 -12.322 8.682 -11.270 1.00 0.00 O ATOM 974 CB PRO A 88 -10.246 7.110 -12.944 1.00 0.00 C ATOM 975 CG PRO A 88 -11.239 7.291 -14.060 1.00 0.00 C ATOM 976 CD PRO A 88 -12.552 6.671 -13.636 1.00 0.00 C ATOM 0 HA PRO A 88 -10.526 6.022 -11.046 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.703 8.035 -12.751 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.505 6.352 -13.200 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.373 8.350 -14.280 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.874 6.820 -14.973 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -13.340 7.420 -13.562 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.889 5.923 -14.353 1.00 0.00 H new ATOM 984 N THR A 89 -10.796 8.148 -9.773 1.00 0.00 N ATOM 985 CA THR A 89 -11.122 9.350 -8.941 1.00 0.00 C ATOM 986 C THR A 89 -10.071 10.443 -9.187 1.00 0.00 C ATOM 987 O THR A 89 -8.931 10.154 -9.505 1.00 0.00 O ATOM 988 CB THR A 89 -11.075 8.873 -7.477 1.00 0.00 C ATOM 989 OG1 THR A 89 -12.215 8.071 -7.202 1.00 0.00 O ATOM 990 CG2 THR A 89 -11.074 10.078 -6.529 1.00 0.00 C ATOM 0 H THR A 89 -10.055 7.552 -9.403 1.00 0.00 H new ATOM 0 HA THR A 89 -12.098 9.769 -9.187 1.00 0.00 H new ATOM 0 HB THR A 89 -10.165 8.292 -7.326 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.348 7.430 -7.931 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.041 9.729 -5.497 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.201 10.699 -6.731 1.00 0.00 H new ATOM 0 HG23 THR A 89 -11.980 10.664 -6.685 1.00 0.00 H new ATOM 998 N ARG A 90 -10.442 11.693 -9.036 1.00 0.00 N ATOM 999 CA ARG A 90 -9.459 12.803 -9.253 1.00 0.00 C ATOM 1000 C ARG A 90 -8.286 12.648 -8.276 1.00 0.00 C ATOM 1001 O ARG A 90 -7.138 12.586 -8.673 1.00 0.00 O ATOM 1002 CB ARG A 90 -10.231 14.097 -8.969 1.00 0.00 C ATOM 1003 CG ARG A 90 -11.270 14.336 -10.069 1.00 0.00 C ATOM 1004 CD ARG A 90 -10.583 14.910 -11.311 1.00 0.00 C ATOM 1005 NE ARG A 90 -11.692 15.213 -12.260 1.00 0.00 N ATOM 1006 CZ ARG A 90 -12.072 16.449 -12.449 1.00 0.00 C ATOM 1007 NH1 ARG A 90 -11.425 17.206 -13.295 1.00 0.00 N ATOM 1008 NH2 ARG A 90 -13.097 16.924 -11.792 1.00 0.00 N ATOM 0 H ARG A 90 -11.381 11.992 -8.772 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.047 12.801 -10.262 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.724 14.031 -7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.541 14.939 -8.919 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.772 13.401 -10.318 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.037 15.025 -9.715 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.015 15.808 -11.068 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.881 14.195 -11.740 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.155 14.455 -12.762 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.625 16.832 -13.806 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.720 18.171 -13.444 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.600 16.330 -11.132 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.394 17.889 -11.939 1.00 0.00 H new ATOM 1022 N GLN A 91 -8.577 12.568 -7.003 1.00 0.00 N ATOM 1023 CA GLN A 91 -7.500 12.398 -5.987 1.00 0.00 C ATOM 1024 C GLN A 91 -7.236 10.897 -5.760 1.00 0.00 C ATOM 1025 O GLN A 91 -7.880 10.062 -6.371 1.00 0.00 O ATOM 1026 CB GLN A 91 -8.057 13.063 -4.723 1.00 0.00 C ATOM 1027 CG GLN A 91 -7.593 14.522 -4.666 1.00 0.00 C ATOM 1028 CD GLN A 91 -8.672 15.431 -5.265 1.00 0.00 C ATOM 1029 OE1 GLN A 91 -9.818 15.379 -4.864 1.00 0.00 O ATOM 1030 NE2 GLN A 91 -8.353 16.268 -6.214 1.00 0.00 N ATOM 0 H GLN A 91 -9.522 12.614 -6.623 1.00 0.00 H new ATOM 0 HA GLN A 91 -6.550 12.841 -6.288 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.146 13.016 -4.725 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -7.716 12.527 -3.837 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.393 14.810 -3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.659 14.639 -5.216 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -7.392 16.313 -6.552 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -9.065 16.877 -6.618 1.00 0.00 H new ATOM 1039 N PRO A 92 -6.296 10.594 -4.893 1.00 0.00 N ATOM 1040 CA PRO A 92 -5.960 9.171 -4.600 1.00 0.00 C ATOM 1041 C PRO A 92 -7.116 8.474 -3.858 1.00 0.00 C ATOM 1042 O PRO A 92 -8.016 9.125 -3.362 1.00 0.00 O ATOM 1043 CB PRO A 92 -4.717 9.276 -3.718 1.00 0.00 C ATOM 1044 CG PRO A 92 -4.798 10.633 -3.100 1.00 0.00 C ATOM 1045 CD PRO A 92 -5.465 11.523 -4.111 1.00 0.00 C ATOM 0 HA PRO A 92 -5.791 8.577 -5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.705 8.495 -2.957 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.805 9.163 -4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.370 10.603 -2.172 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.805 11.006 -2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -6.068 12.294 -3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.735 12.034 -4.739 1.00 0.00 H new ATOM 1053 N PRO A 93 -7.048 7.161 -3.802 1.00 0.00 N ATOM 1054 CA PRO A 93 -8.103 6.368 -3.107 1.00 0.00 C ATOM 1055 C PRO A 93 -8.052 6.617 -1.596 1.00 0.00 C ATOM 1056 O PRO A 93 -9.073 6.658 -0.936 1.00 0.00 O ATOM 1057 CB PRO A 93 -7.744 4.922 -3.445 1.00 0.00 C ATOM 1058 CG PRO A 93 -6.282 4.952 -3.749 1.00 0.00 C ATOM 1059 CD PRO A 93 -6.002 6.297 -4.367 1.00 0.00 C ATOM 0 HA PRO A 93 -9.115 6.630 -3.417 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.961 4.255 -2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.318 4.561 -4.298 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.694 4.812 -2.842 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.011 4.147 -4.432 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.005 6.656 -4.112 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.058 6.258 -5.455 1.00 0.00 H new ATOM 1067 N GLU A 94 -6.871 6.801 -1.050 1.00 0.00 N ATOM 1068 CA GLU A 94 -6.753 7.072 0.418 1.00 0.00 C ATOM 1069 C GLU A 94 -7.496 8.369 0.774 1.00 0.00 C ATOM 1070 O GLU A 94 -8.005 8.519 1.868 1.00 0.00 O ATOM 1071 CB GLU A 94 -5.247 7.204 0.700 1.00 0.00 C ATOM 1072 CG GLU A 94 -4.623 8.290 -0.192 1.00 0.00 C ATOM 1073 CD GLU A 94 -4.513 9.606 0.586 1.00 0.00 C ATOM 1074 OE1 GLU A 94 -3.932 9.595 1.658 1.00 0.00 O ATOM 1075 OE2 GLU A 94 -5.008 10.604 0.093 1.00 0.00 O ATOM 0 H GLU A 94 -5.987 6.775 -1.557 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.196 6.277 1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.088 7.452 1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.753 6.249 0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.636 7.973 -0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.233 8.435 -1.084 1.00 0.00 H new ATOM 1082 N LEU A 95 -7.573 9.298 -0.154 1.00 0.00 N ATOM 1083 CA LEU A 95 -8.294 10.582 0.109 1.00 0.00 C ATOM 1084 C LEU A 95 -9.780 10.308 0.379 1.00 0.00 C ATOM 1085 O LEU A 95 -10.431 11.038 1.099 1.00 0.00 O ATOM 1086 CB LEU A 95 -8.123 11.401 -1.179 1.00 0.00 C ATOM 1087 CG LEU A 95 -9.041 12.629 -1.152 1.00 0.00 C ATOM 1088 CD1 LEU A 95 -8.211 13.900 -1.355 1.00 0.00 C ATOM 1089 CD2 LEU A 95 -10.080 12.511 -2.275 1.00 0.00 C ATOM 0 H LEU A 95 -7.165 9.218 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.904 11.106 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.085 11.716 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.356 10.782 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.547 12.681 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.867 14.770 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.473 13.984 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.701 13.852 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.734 13.383 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.571 12.458 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.674 11.609 -2.128 1.00 0.00 H new ATOM 1101 N CYS A 96 -10.316 9.262 -0.204 1.00 0.00 N ATOM 1102 CA CYS A 96 -11.760 8.935 0.000 1.00 0.00 C ATOM 1103 C CYS A 96 -11.952 8.015 1.216 1.00 0.00 C ATOM 1104 O CYS A 96 -11.008 7.673 1.906 1.00 0.00 O ATOM 1105 CB CYS A 96 -12.183 8.237 -1.293 1.00 0.00 C ATOM 1106 SG CYS A 96 -12.745 9.485 -2.479 1.00 0.00 S ATOM 0 H CYS A 96 -9.812 8.619 -0.815 1.00 0.00 H new ATOM 0 HA CYS A 96 -12.359 9.823 0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -11.347 7.673 -1.707 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -12.981 7.522 -1.092 1.00 0.00 H new ATOM 1111 N ASP A 97 -13.177 7.627 1.488 1.00 0.00 N ATOM 1112 CA ASP A 97 -13.454 6.744 2.668 1.00 0.00 C ATOM 1113 C ASP A 97 -13.049 5.291 2.383 1.00 0.00 C ATOM 1114 O ASP A 97 -12.434 4.984 1.379 1.00 0.00 O ATOM 1115 CB ASP A 97 -14.969 6.833 2.903 1.00 0.00 C ATOM 1116 CG ASP A 97 -15.387 8.292 3.112 1.00 0.00 C ATOM 1117 OD1 ASP A 97 -14.978 8.871 4.105 1.00 0.00 O ATOM 1118 OD2 ASP A 97 -16.117 8.802 2.277 1.00 0.00 O ATOM 0 H ASP A 97 -13.999 7.885 0.942 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.882 7.063 3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.502 6.413 2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.245 6.240 3.775 1.00 0.00 H new ATOM 1123 N PHE A 98 -13.400 4.398 3.274 1.00 0.00 N ATOM 1124 CA PHE A 98 -13.056 2.956 3.101 1.00 0.00 C ATOM 1125 C PHE A 98 -14.281 2.089 3.423 1.00 0.00 C ATOM 1126 O PHE A 98 -14.960 2.311 4.408 1.00 0.00 O ATOM 1127 CB PHE A 98 -11.945 2.699 4.128 1.00 0.00 C ATOM 1128 CG PHE A 98 -10.775 1.939 3.524 1.00 0.00 C ATOM 1129 CD1 PHE A 98 -10.803 1.491 2.193 1.00 0.00 C ATOM 1130 CD2 PHE A 98 -9.650 1.682 4.318 1.00 0.00 C ATOM 1131 CE1 PHE A 98 -9.710 0.794 1.668 1.00 0.00 C ATOM 1132 CE2 PHE A 98 -8.560 0.984 3.790 1.00 0.00 C ATOM 1133 CZ PHE A 98 -8.590 0.541 2.466 1.00 0.00 C ATOM 0 H PHE A 98 -13.918 4.612 4.126 1.00 0.00 H new ATOM 0 HA PHE A 98 -12.745 2.717 2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -11.592 3.650 4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -12.351 2.133 4.967 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -11.668 1.685 1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.625 2.024 5.342 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -9.731 0.451 0.644 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.695 0.787 4.406 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.747 0.003 2.058 1.00 0.00 H new ATOM 1143 N LYS A 99 -14.566 1.102 2.613 1.00 0.00 N ATOM 1144 CA LYS A 99 -15.744 0.224 2.895 1.00 0.00 C ATOM 1145 C LYS A 99 -15.295 -1.025 3.654 1.00 0.00 C ATOM 1146 O LYS A 99 -14.586 -1.858 3.120 1.00 0.00 O ATOM 1147 CB LYS A 99 -16.311 -0.187 1.533 1.00 0.00 C ATOM 1148 CG LYS A 99 -16.795 1.040 0.757 1.00 0.00 C ATOM 1149 CD LYS A 99 -17.356 0.596 -0.599 1.00 0.00 C ATOM 1150 CE LYS A 99 -18.712 -0.098 -0.400 1.00 0.00 C ATOM 1151 NZ LYS A 99 -18.768 -1.162 -1.447 1.00 0.00 N ATOM 0 H LYS A 99 -14.038 0.866 1.773 1.00 0.00 H new ATOM 0 HA LYS A 99 -16.486 0.744 3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.547 -0.709 0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -17.137 -0.884 1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -17.562 1.565 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -15.972 1.740 0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -17.472 1.459 -1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -16.657 -0.084 -1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -18.792 -0.525 0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -19.535 0.608 -0.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -19.668 -1.677 -1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -18.697 -0.726 -2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -17.978 -1.824 -1.312 1.00 0.00 H new ATOM 1165 N GLU A 100 -15.712 -1.177 4.885 1.00 0.00 N ATOM 1166 CA GLU A 100 -15.312 -2.396 5.656 1.00 0.00 C ATOM 1167 C GLU A 100 -15.949 -3.643 5.024 1.00 0.00 C ATOM 1168 O GLU A 100 -15.476 -4.750 5.206 1.00 0.00 O ATOM 1169 CB GLU A 100 -15.839 -2.175 7.079 1.00 0.00 C ATOM 1170 CG GLU A 100 -15.009 -3.001 8.068 1.00 0.00 C ATOM 1171 CD GLU A 100 -15.533 -2.780 9.489 1.00 0.00 C ATOM 1172 OE1 GLU A 100 -16.497 -3.435 9.853 1.00 0.00 O ATOM 1173 OE2 GLU A 100 -14.963 -1.959 10.189 1.00 0.00 O ATOM 0 H GLU A 100 -16.307 -0.518 5.387 1.00 0.00 H new ATOM 0 HA GLU A 100 -14.233 -2.550 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -15.785 -1.117 7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -16.888 -2.465 7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.064 -4.059 7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.960 -2.712 8.008 1.00 0.00 H new ATOM 1180 N ASN A 101 -17.006 -3.464 4.265 1.00 0.00 N ATOM 1181 CA ASN A 101 -17.671 -4.625 3.593 1.00 0.00 C ATOM 1182 C ASN A 101 -17.112 -4.811 2.169 1.00 0.00 C ATOM 1183 O ASN A 101 -17.631 -5.590 1.391 1.00 0.00 O ATOM 1184 CB ASN A 101 -19.160 -4.263 3.534 1.00 0.00 C ATOM 1185 CG ASN A 101 -19.647 -3.819 4.917 1.00 0.00 C ATOM 1186 OD1 ASN A 101 -19.772 -2.639 5.178 1.00 0.00 O ATOM 1187 ND2 ASN A 101 -19.926 -4.718 5.820 1.00 0.00 N ATOM 0 H ASN A 101 -17.438 -2.558 4.082 1.00 0.00 H new ATOM 0 HA ASN A 101 -17.499 -5.557 4.131 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -19.320 -3.465 2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -19.738 -5.122 3.194 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -20.249 -4.430 6.744 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -19.822 -5.709 5.602 1.00 0.00 H new ATOM 1194 N GLY A 102 -16.060 -4.103 1.820 1.00 0.00 N ATOM 1195 CA GLY A 102 -15.476 -4.242 0.456 1.00 0.00 C ATOM 1196 C GLY A 102 -14.550 -5.454 0.416 1.00 0.00 C ATOM 1197 O GLY A 102 -13.959 -5.826 1.412 1.00 0.00 O ATOM 0 H GLY A 102 -15.584 -3.435 2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -16.271 -4.355 -0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.923 -3.340 0.193 1.00 0.00 H new ATOM 1201 N ARG A 103 -14.409 -6.071 -0.731 1.00 0.00 N ATOM 1202 CA ARG A 103 -13.508 -7.258 -0.843 1.00 0.00 C ATOM 1203 C ARG A 103 -12.045 -6.809 -0.720 1.00 0.00 C ATOM 1204 O ARG A 103 -11.672 -5.752 -1.195 1.00 0.00 O ATOM 1205 CB ARG A 103 -13.795 -7.867 -2.225 1.00 0.00 C ATOM 1206 CG ARG A 103 -13.325 -6.918 -3.334 1.00 0.00 C ATOM 1207 CD ARG A 103 -13.912 -7.361 -4.680 1.00 0.00 C ATOM 1208 NE ARG A 103 -15.248 -6.700 -4.767 1.00 0.00 N ATOM 1209 CZ ARG A 103 -16.059 -6.984 -5.756 1.00 0.00 C ATOM 1210 NH1 ARG A 103 -16.508 -8.205 -5.905 1.00 0.00 N ATOM 1211 NH2 ARG A 103 -16.424 -6.046 -6.589 1.00 0.00 N ATOM 0 H ARG A 103 -14.880 -5.803 -1.595 1.00 0.00 H new ATOM 0 HA ARG A 103 -13.681 -7.990 -0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.287 -8.827 -2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -14.863 -8.060 -2.330 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.637 -5.898 -3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -12.236 -6.915 -3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -13.270 -7.059 -5.507 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -14.006 -8.446 -4.729 1.00 0.00 H new ATOM 0 HE ARG A 103 -15.530 -6.026 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -16.226 -8.935 -5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -17.139 -8.426 -6.675 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -16.078 -5.094 -6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -17.055 -6.266 -7.359 1.00 0.00 H new ATOM 1225 N VAL A 104 -11.219 -7.591 -0.073 1.00 0.00 N ATOM 1226 CA VAL A 104 -9.790 -7.189 0.091 1.00 0.00 C ATOM 1227 C VAL A 104 -8.872 -8.064 -0.772 1.00 0.00 C ATOM 1228 O VAL A 104 -8.922 -9.275 -0.715 1.00 0.00 O ATOM 1229 CB VAL A 104 -9.479 -7.391 1.579 1.00 0.00 C ATOM 1230 CG1 VAL A 104 -8.007 -7.063 1.846 1.00 0.00 C ATOM 1231 CG2 VAL A 104 -10.362 -6.462 2.420 1.00 0.00 C ATOM 0 H VAL A 104 -11.471 -8.486 0.347 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.625 -6.159 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.678 -8.428 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.788 -7.207 2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.374 -7.722 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.810 -6.026 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.139 -6.607 3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.164 -5.426 2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.411 -6.692 2.235 1.00 0.00 H new ATOM 1241 N LYS A 105 -8.028 -7.447 -1.558 1.00 0.00 N ATOM 1242 CA LYS A 105 -7.084 -8.217 -2.425 1.00 0.00 C ATOM 1243 C LYS A 105 -5.656 -8.082 -1.883 1.00 0.00 C ATOM 1244 O LYS A 105 -5.350 -7.162 -1.151 1.00 0.00 O ATOM 1245 CB LYS A 105 -7.182 -7.556 -3.803 1.00 0.00 C ATOM 1246 CG LYS A 105 -8.508 -7.930 -4.463 1.00 0.00 C ATOM 1247 CD LYS A 105 -9.508 -6.781 -4.300 1.00 0.00 C ATOM 1248 CE LYS A 105 -10.595 -6.879 -5.379 1.00 0.00 C ATOM 1249 NZ LYS A 105 -10.101 -6.057 -6.522 1.00 0.00 N ATOM 0 H LYS A 105 -7.951 -6.433 -1.637 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.326 -9.279 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.108 -6.473 -3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.350 -7.876 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.352 -8.142 -5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.907 -8.839 -4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.962 -6.820 -3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.992 -5.824 -4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.755 -7.914 -5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.549 -6.503 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.621 -6.315 -7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.252 -5.049 -6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.086 -6.233 -6.663 1.00 0.00 H new ATOM 1263 N GLN A 106 -4.780 -8.978 -2.252 1.00 0.00 N ATOM 1264 CA GLN A 106 -3.365 -8.886 -1.774 1.00 0.00 C ATOM 1265 C GLN A 106 -2.447 -8.693 -2.978 1.00 0.00 C ATOM 1266 O GLN A 106 -1.936 -9.642 -3.543 1.00 0.00 O ATOM 1267 CB GLN A 106 -3.073 -10.211 -1.058 1.00 0.00 C ATOM 1268 CG GLN A 106 -1.643 -10.195 -0.505 1.00 0.00 C ATOM 1269 CD GLN A 106 -1.296 -11.565 0.092 1.00 0.00 C ATOM 1270 OE1 GLN A 106 -1.932 -12.557 -0.211 1.00 0.00 O ATOM 1271 NE2 GLN A 106 -0.299 -11.664 0.931 1.00 0.00 N ATOM 0 H GLN A 106 -4.980 -9.770 -2.863 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.203 -8.046 -1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.785 -10.362 -0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.196 -11.044 -1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.940 -9.947 -1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.548 -9.422 0.258 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.236 -10.834 1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -0.056 -12.571 1.330 1.00 0.00 H new ATOM 1280 N CYS A 107 -2.248 -7.464 -3.379 1.00 0.00 N ATOM 1281 CA CYS A 107 -1.379 -7.184 -4.561 1.00 0.00 C ATOM 1282 C CYS A 107 0.092 -7.124 -4.147 1.00 0.00 C ATOM 1283 O CYS A 107 0.492 -6.308 -3.338 1.00 0.00 O ATOM 1284 CB CYS A 107 -1.864 -5.840 -5.100 1.00 0.00 C ATOM 1285 SG CYS A 107 -3.591 -6.001 -5.633 1.00 0.00 S ATOM 0 H CYS A 107 -2.652 -6.639 -2.936 1.00 0.00 H new ATOM 0 HA CYS A 107 -1.446 -7.965 -5.318 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.778 -5.073 -4.330 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -1.241 -5.523 -5.936 1.00 0.00 H new ATOM 1290 N VAL A 108 0.893 -8.001 -4.699 1.00 0.00 N ATOM 1291 CA VAL A 108 2.345 -8.032 -4.357 1.00 0.00 C ATOM 1292 C VAL A 108 3.196 -7.954 -5.632 1.00 0.00 C ATOM 1293 O VAL A 108 2.858 -8.525 -6.650 1.00 0.00 O ATOM 1294 CB VAL A 108 2.563 -9.374 -3.638 1.00 0.00 C ATOM 1295 CG1 VAL A 108 1.635 -9.471 -2.422 1.00 0.00 C ATOM 1296 CG2 VAL A 108 2.270 -10.540 -4.593 1.00 0.00 C ATOM 0 H VAL A 108 0.598 -8.703 -5.378 1.00 0.00 H new ATOM 0 HA VAL A 108 2.637 -7.188 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 108 3.601 -9.429 -3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.795 -10.424 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.852 -8.655 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.598 -9.403 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.428 -11.485 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.236 -10.481 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.938 -10.483 -5.452 1.00 0.00 H new ATOM 1306 N GLY A 109 4.299 -7.252 -5.581 1.00 0.00 N ATOM 1307 CA GLY A 109 5.176 -7.136 -6.788 1.00 0.00 C ATOM 1308 C GLY A 109 6.504 -6.482 -6.400 1.00 0.00 C ATOM 1309 O GLY A 109 6.731 -6.157 -5.252 1.00 0.00 O ATOM 0 H GLY A 109 4.632 -6.753 -4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 109 5.356 -8.123 -7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 109 4.678 -6.543 -7.555 1.00 0.00 H new ATOM 1313 N THR A 110 7.387 -6.281 -7.348 1.00 0.00 N ATOM 1314 CA THR A 110 8.701 -5.644 -7.020 1.00 0.00 C ATOM 1315 C THR A 110 8.863 -4.320 -7.772 1.00 0.00 C ATOM 1316 O THR A 110 8.637 -4.237 -8.966 1.00 0.00 O ATOM 1317 CB THR A 110 9.781 -6.644 -7.451 1.00 0.00 C ATOM 1318 OG1 THR A 110 9.617 -6.967 -8.826 1.00 0.00 O ATOM 1319 CG2 THR A 110 9.679 -7.917 -6.610 1.00 0.00 C ATOM 0 H THR A 110 7.256 -6.529 -8.329 1.00 0.00 H new ATOM 0 HA THR A 110 8.774 -5.416 -5.957 1.00 0.00 H new ATOM 0 HB THR A 110 10.762 -6.193 -7.301 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.176 -6.223 -9.287 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.449 -8.622 -6.922 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.818 -7.670 -5.558 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.696 -8.368 -6.750 1.00 0.00 H new ATOM 1327 N VAL A 111 9.261 -3.290 -7.074 1.00 0.00 N ATOM 1328 CA VAL A 111 9.455 -1.955 -7.719 1.00 0.00 C ATOM 1329 C VAL A 111 10.696 -1.277 -7.133 1.00 0.00 C ATOM 1330 O VAL A 111 10.920 -1.305 -5.939 1.00 0.00 O ATOM 1331 CB VAL A 111 8.188 -1.148 -7.394 1.00 0.00 C ATOM 1332 CG1 VAL A 111 7.008 -1.698 -8.200 1.00 0.00 C ATOM 1333 CG2 VAL A 111 7.869 -1.247 -5.896 1.00 0.00 C ATOM 0 H VAL A 111 9.462 -3.315 -6.074 1.00 0.00 H new ATOM 0 HA VAL A 111 9.606 -2.034 -8.796 1.00 0.00 H new ATOM 0 HB VAL A 111 8.358 -0.104 -7.656 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.110 -1.125 -7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.226 -1.617 -9.265 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.847 -2.745 -7.941 1.00 0.00 H new ATOM 0 HG21 VAL A 111 6.970 -0.672 -5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.707 -2.291 -5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.704 -0.849 -5.319 1.00 0.00 H new ATOM 1343 N THR A 112 11.512 -0.677 -7.961 1.00 0.00 N ATOM 1344 CA THR A 112 12.747 -0.009 -7.437 1.00 0.00 C ATOM 1345 C THR A 112 12.381 1.200 -6.562 1.00 0.00 C ATOM 1346 O THR A 112 11.707 2.118 -6.993 1.00 0.00 O ATOM 1347 CB THR A 112 13.556 0.414 -8.675 1.00 0.00 C ATOM 1348 OG1 THR A 112 14.720 1.120 -8.267 1.00 0.00 O ATOM 1349 CG2 THR A 112 12.708 1.301 -9.594 1.00 0.00 C ATOM 0 H THR A 112 11.380 -0.619 -8.971 1.00 0.00 H new ATOM 0 HA THR A 112 13.329 -0.677 -6.802 1.00 0.00 H new ATOM 0 HB THR A 112 13.847 -0.481 -9.226 1.00 0.00 H new ATOM 0 HG1 THR A 112 15.235 1.387 -9.057 1.00 0.00 H new ATOM 0 HG21 THR A 112 13.297 1.591 -10.465 1.00 0.00 H new ATOM 0 HG22 THR A 112 11.826 0.749 -9.920 1.00 0.00 H new ATOM 0 HG23 THR A 112 12.398 2.194 -9.052 1.00 0.00 H new ATOM 1357 N LEU A 113 12.828 1.194 -5.329 1.00 0.00 N ATOM 1358 CA LEU A 113 12.524 2.323 -4.393 1.00 0.00 C ATOM 1359 C LEU A 113 13.270 3.602 -4.811 1.00 0.00 C ATOM 1360 O LEU A 113 12.873 4.696 -4.450 1.00 0.00 O ATOM 1361 CB LEU A 113 13.006 1.833 -3.020 1.00 0.00 C ATOM 1362 CG LEU A 113 12.843 2.944 -1.975 1.00 0.00 C ATOM 1363 CD1 LEU A 113 11.851 2.501 -0.896 1.00 0.00 C ATOM 1364 CD2 LEU A 113 14.200 3.237 -1.329 1.00 0.00 C ATOM 0 H LEU A 113 13.396 0.448 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 113 11.464 2.579 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.436 0.954 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.051 1.530 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 113 12.466 3.843 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.739 3.294 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.884 2.293 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.223 1.600 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.086 4.026 -0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 113 14.575 2.335 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.906 3.559 -2.095 1.00 0.00 H new ATOM 1376 N ASP A 114 14.341 3.482 -5.566 1.00 0.00 N ATOM 1377 CA ASP A 114 15.098 4.701 -6.002 1.00 0.00 C ATOM 1378 C ASP A 114 14.164 5.667 -6.742 1.00 0.00 C ATOM 1379 O ASP A 114 14.236 6.869 -6.570 1.00 0.00 O ATOM 1380 CB ASP A 114 16.191 4.189 -6.945 1.00 0.00 C ATOM 1381 CG ASP A 114 17.553 4.262 -6.248 1.00 0.00 C ATOM 1382 OD1 ASP A 114 17.697 3.649 -5.204 1.00 0.00 O ATOM 1383 OD2 ASP A 114 18.430 4.928 -6.773 1.00 0.00 O ATOM 0 H ASP A 114 14.721 2.595 -5.897 1.00 0.00 H new ATOM 0 HA ASP A 114 15.518 5.244 -5.155 1.00 0.00 H new ATOM 0 HB2 ASP A 114 15.978 3.162 -7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 114 16.206 4.786 -7.857 1.00 0.00 H new ATOM 1388 N GLN A 115 13.282 5.141 -7.557 1.00 0.00 N ATOM 1389 CA GLN A 115 12.327 6.007 -8.309 1.00 0.00 C ATOM 1390 C GLN A 115 11.137 5.169 -8.792 1.00 0.00 C ATOM 1391 O GLN A 115 11.304 4.180 -9.483 1.00 0.00 O ATOM 1392 CB GLN A 115 13.122 6.578 -9.494 1.00 0.00 C ATOM 1393 CG GLN A 115 13.751 5.447 -10.319 1.00 0.00 C ATOM 1394 CD GLN A 115 15.260 5.675 -10.447 1.00 0.00 C ATOM 1395 OE1 GLN A 115 16.044 4.803 -10.129 1.00 0.00 O ATOM 1396 NE2 GLN A 115 15.707 6.815 -10.908 1.00 0.00 N ATOM 0 H GLN A 115 13.184 4.141 -7.733 1.00 0.00 H new ATOM 0 HA GLN A 115 11.922 6.809 -7.691 1.00 0.00 H new ATOM 0 HB2 GLN A 115 12.464 7.174 -10.127 1.00 0.00 H new ATOM 0 HB3 GLN A 115 13.902 7.245 -9.128 1.00 0.00 H new ATOM 0 HG2 GLN A 115 13.558 4.486 -9.842 1.00 0.00 H new ATOM 0 HG3 GLN A 115 13.295 5.409 -11.308 1.00 0.00 H new ATOM 0 HE21 GLN A 115 15.051 7.549 -11.176 1.00 0.00 H new ATOM 0 HE22 GLN A 115 16.711 6.970 -11.000 1.00 0.00 H new ATOM 1405 N ILE A 116 9.939 5.554 -8.426 1.00 0.00 N ATOM 1406 CA ILE A 116 8.732 4.781 -8.857 1.00 0.00 C ATOM 1407 C ILE A 116 8.633 4.783 -10.387 1.00 0.00 C ATOM 1408 O ILE A 116 8.366 5.800 -10.999 1.00 0.00 O ATOM 1409 CB ILE A 116 7.539 5.511 -8.227 1.00 0.00 C ATOM 1410 CG1 ILE A 116 7.640 5.433 -6.698 1.00 0.00 C ATOM 1411 CG2 ILE A 116 6.231 4.856 -8.683 1.00 0.00 C ATOM 1412 CD1 ILE A 116 7.306 6.798 -6.091 1.00 0.00 C ATOM 0 H ILE A 116 9.744 6.371 -7.847 1.00 0.00 H new ATOM 0 HA ILE A 116 8.770 3.738 -8.543 1.00 0.00 H new ATOM 0 HB ILE A 116 7.550 6.554 -8.542 1.00 0.00 H new ATOM 0 HG12 ILE A 116 6.954 4.676 -6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 116 8.645 5.129 -6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 116 5.387 5.378 -8.233 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.155 4.912 -9.769 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.219 3.811 -8.372 1.00 0.00 H new ATOM 0 HD11 ILE A 116 7.378 6.741 -5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 116 8.009 7.543 -6.463 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.292 7.083 -6.373 1.00 0.00 H new ATOM 1424 N LYS A 117 8.862 3.649 -11.004 1.00 0.00 N ATOM 1425 CA LYS A 117 8.795 3.577 -12.495 1.00 0.00 C ATOM 1426 C LYS A 117 8.202 2.239 -12.951 1.00 0.00 C ATOM 1427 O LYS A 117 7.820 1.404 -12.150 1.00 0.00 O ATOM 1428 CB LYS A 117 10.250 3.726 -12.970 1.00 0.00 C ATOM 1429 CG LYS A 117 11.074 2.497 -12.561 1.00 0.00 C ATOM 1430 CD LYS A 117 12.569 2.807 -12.710 1.00 0.00 C ATOM 1431 CE LYS A 117 13.109 2.175 -14.000 1.00 0.00 C ATOM 1432 NZ LYS A 117 13.989 1.052 -13.555 1.00 0.00 N ATOM 0 H LYS A 117 9.092 2.771 -10.538 1.00 0.00 H new ATOM 0 HA LYS A 117 8.152 4.352 -12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.275 3.845 -14.053 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.689 4.626 -12.540 1.00 0.00 H new ATOM 0 HG2 LYS A 117 10.850 2.223 -11.530 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.806 1.643 -13.183 1.00 0.00 H new ATOM 0 HD2 LYS A 117 12.725 3.886 -12.730 1.00 0.00 H new ATOM 0 HD3 LYS A 117 13.116 2.422 -11.850 1.00 0.00 H new ATOM 0 HE2 LYS A 117 12.297 1.812 -14.629 1.00 0.00 H new ATOM 0 HE3 LYS A 117 13.668 2.902 -14.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 14.392 0.576 -14.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 14.759 1.427 -12.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 13.430 0.371 -13.003 1.00 0.00 H new ATOM 1446 N ASP A 118 8.128 2.040 -14.241 1.00 0.00 N ATOM 1447 CA ASP A 118 7.568 0.769 -14.790 1.00 0.00 C ATOM 1448 C ASP A 118 8.706 -0.148 -15.269 1.00 0.00 C ATOM 1449 O ASP A 118 9.852 0.262 -15.296 1.00 0.00 O ATOM 1450 CB ASP A 118 6.684 1.210 -15.963 1.00 0.00 C ATOM 1451 CG ASP A 118 5.243 1.386 -15.478 1.00 0.00 C ATOM 1452 OD1 ASP A 118 4.541 0.391 -15.400 1.00 0.00 O ATOM 1453 OD2 ASP A 118 4.867 2.509 -15.190 1.00 0.00 O ATOM 0 H ASP A 118 8.435 2.711 -14.945 1.00 0.00 H new ATOM 0 HA ASP A 118 7.005 0.202 -14.049 1.00 0.00 H new ATOM 0 HB2 ASP A 118 7.055 2.146 -16.380 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.723 0.468 -16.760 1.00 0.00 H new ATOM 1458 N PRO A 119 8.363 -1.366 -15.632 1.00 0.00 N ATOM 1459 CA PRO A 119 6.951 -1.834 -15.586 1.00 0.00 C ATOM 1460 C PRO A 119 6.525 -2.180 -14.152 1.00 0.00 C ATOM 1461 O PRO A 119 7.349 -2.366 -13.273 1.00 0.00 O ATOM 1462 CB PRO A 119 6.960 -3.085 -16.459 1.00 0.00 C ATOM 1463 CG PRO A 119 8.369 -3.588 -16.416 1.00 0.00 C ATOM 1464 CD PRO A 119 9.269 -2.412 -16.124 1.00 0.00 C ATOM 0 HA PRO A 119 6.248 -1.075 -15.929 1.00 0.00 H new ATOM 0 HB2 PRO A 119 6.264 -3.833 -16.081 1.00 0.00 H new ATOM 0 HB3 PRO A 119 6.656 -2.854 -17.480 1.00 0.00 H new ATOM 0 HG2 PRO A 119 8.478 -4.353 -15.647 1.00 0.00 H new ATOM 0 HG3 PRO A 119 8.639 -4.049 -17.366 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.024 -2.665 -15.379 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.800 -2.088 -17.019 1.00 0.00 H new ATOM 1472 N LEU A 120 5.238 -2.274 -13.919 1.00 0.00 N ATOM 1473 CA LEU A 120 4.734 -2.615 -12.555 1.00 0.00 C ATOM 1474 C LEU A 120 4.449 -4.122 -12.465 1.00 0.00 C ATOM 1475 O LEU A 120 3.343 -4.571 -12.705 1.00 0.00 O ATOM 1476 CB LEU A 120 3.442 -1.801 -12.397 1.00 0.00 C ATOM 1477 CG LEU A 120 3.065 -1.710 -10.915 1.00 0.00 C ATOM 1478 CD1 LEU A 120 3.895 -0.615 -10.241 1.00 0.00 C ATOM 1479 CD2 LEU A 120 1.577 -1.372 -10.788 1.00 0.00 C ATOM 0 H LEU A 120 4.512 -2.128 -14.621 1.00 0.00 H new ATOM 0 HA LEU A 120 5.454 -2.383 -11.770 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.578 -0.801 -12.809 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.635 -2.270 -12.959 1.00 0.00 H new ATOM 0 HG LEU A 120 3.265 -2.666 -10.431 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.626 -0.551 -9.187 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.955 -0.854 -10.331 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.697 0.342 -10.725 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.307 -1.307 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.378 -0.416 -11.273 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.985 -2.152 -11.267 1.00 0.00 H new ATOM 1491 N ASP A 121 5.446 -4.903 -12.131 1.00 0.00 N ATOM 1492 CA ASP A 121 5.246 -6.383 -12.036 1.00 0.00 C ATOM 1493 C ASP A 121 4.592 -6.751 -10.697 1.00 0.00 C ATOM 1494 O ASP A 121 5.260 -7.105 -9.742 1.00 0.00 O ATOM 1495 CB ASP A 121 6.650 -6.987 -12.136 1.00 0.00 C ATOM 1496 CG ASP A 121 7.234 -6.704 -13.524 1.00 0.00 C ATOM 1497 OD1 ASP A 121 6.943 -7.463 -14.434 1.00 0.00 O ATOM 1498 OD2 ASP A 121 7.962 -5.731 -13.653 1.00 0.00 O ATOM 0 H ASP A 121 6.390 -4.580 -11.920 1.00 0.00 H new ATOM 0 HA ASP A 121 4.588 -6.757 -12.820 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.295 -6.563 -11.366 1.00 0.00 H new ATOM 0 HB3 ASP A 121 6.608 -8.062 -11.960 1.00 0.00 H new ATOM 1503 N ILE A 122 3.287 -6.673 -10.626 1.00 0.00 N ATOM 1504 CA ILE A 122 2.579 -7.018 -9.353 1.00 0.00 C ATOM 1505 C ILE A 122 1.429 -8.001 -9.615 1.00 0.00 C ATOM 1506 O ILE A 122 0.877 -8.058 -10.699 1.00 0.00 O ATOM 1507 CB ILE A 122 2.037 -5.692 -8.786 1.00 0.00 C ATOM 1508 CG1 ILE A 122 1.202 -4.949 -9.842 1.00 0.00 C ATOM 1509 CG2 ILE A 122 3.203 -4.804 -8.346 1.00 0.00 C ATOM 1510 CD1 ILE A 122 -0.242 -5.463 -9.821 1.00 0.00 C ATOM 0 H ILE A 122 2.680 -6.385 -11.394 1.00 0.00 H new ATOM 0 HA ILE A 122 3.255 -7.504 -8.650 1.00 0.00 H new ATOM 0 HB ILE A 122 1.401 -5.918 -7.930 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.219 -3.877 -9.643 1.00 0.00 H new ATOM 0 HG13 ILE A 122 1.636 -5.097 -10.831 1.00 0.00 H new ATOM 0 HG21 ILE A 122 2.816 -3.867 -7.946 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.780 -5.316 -7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.844 -4.595 -9.202 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.828 -4.932 -10.571 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -0.251 -6.530 -10.041 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -0.675 -5.292 -8.835 1.00 0.00 H new ATOM 1522 N THR A 123 1.068 -8.770 -8.617 1.00 0.00 N ATOM 1523 CA THR A 123 -0.046 -9.753 -8.773 1.00 0.00 C ATOM 1524 C THR A 123 -0.868 -9.805 -7.478 1.00 0.00 C ATOM 1525 O THR A 123 -0.322 -9.891 -6.393 1.00 0.00 O ATOM 1526 CB THR A 123 0.633 -11.105 -9.029 1.00 0.00 C ATOM 1527 OG1 THR A 123 1.564 -10.983 -10.098 1.00 0.00 O ATOM 1528 CG2 THR A 123 -0.425 -12.149 -9.392 1.00 0.00 C ATOM 0 H THR A 123 1.502 -8.758 -7.694 1.00 0.00 H new ATOM 0 HA THR A 123 -0.723 -9.486 -9.584 1.00 0.00 H new ATOM 0 HB THR A 123 1.159 -11.417 -8.127 1.00 0.00 H new ATOM 0 HG1 THR A 123 1.996 -11.848 -10.256 1.00 0.00 H new ATOM 0 HG21 THR A 123 0.058 -13.109 -9.574 1.00 0.00 H new ATOM 0 HG22 THR A 123 -1.134 -12.249 -8.570 1.00 0.00 H new ATOM 0 HG23 THR A 123 -0.954 -11.833 -10.291 1.00 0.00 H new ATOM 1536 N CYS A 124 -2.171 -9.757 -7.582 1.00 0.00 N ATOM 1537 CA CYS A 124 -3.021 -9.803 -6.351 1.00 0.00 C ATOM 1538 C CYS A 124 -3.524 -11.231 -6.113 1.00 0.00 C ATOM 1539 O CYS A 124 -3.868 -11.939 -7.041 1.00 0.00 O ATOM 1540 CB CYS A 124 -4.175 -8.829 -6.613 1.00 0.00 C ATOM 1541 SG CYS A 124 -3.516 -7.251 -7.223 1.00 0.00 S ATOM 0 H CYS A 124 -2.683 -9.688 -8.461 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.472 -9.519 -5.454 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -4.863 -9.254 -7.344 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.743 -8.667 -5.697 1.00 0.00 H new ATOM 1546 N ASN A 125 -3.545 -11.670 -4.875 1.00 0.00 N ATOM 1547 CA ASN A 125 -3.996 -13.067 -4.586 1.00 0.00 C ATOM 1548 C ASN A 125 -4.962 -13.134 -3.394 1.00 0.00 C ATOM 1549 O ASN A 125 -4.996 -14.110 -2.670 1.00 0.00 O ATOM 1550 CB ASN A 125 -2.704 -13.831 -4.282 1.00 0.00 C ATOM 1551 CG ASN A 125 -2.901 -15.317 -4.592 1.00 0.00 C ATOM 1552 OD1 ASN A 125 -3.050 -15.697 -5.736 1.00 0.00 O ATOM 1553 ND2 ASN A 125 -2.906 -16.179 -3.614 1.00 0.00 N ATOM 0 H ASN A 125 -3.271 -11.124 -4.058 1.00 0.00 H new ATOM 0 HA ASN A 125 -4.550 -13.487 -5.425 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -1.884 -13.430 -4.878 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -2.430 -13.701 -3.235 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -3.035 -17.172 -3.810 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -2.781 -15.861 -2.653 1.00 0.00 H new ATOM 1560 N GLU A 126 -5.769 -12.128 -3.208 1.00 0.00 N ATOM 1561 CA GLU A 126 -6.762 -12.155 -2.088 1.00 0.00 C ATOM 1562 C GLU A 126 -8.152 -11.753 -2.599 1.00 0.00 C ATOM 1563 O GLU A 126 -9.076 -11.558 -1.834 1.00 0.00 O ATOM 1564 CB GLU A 126 -6.238 -11.164 -1.047 1.00 0.00 C ATOM 1565 CG GLU A 126 -6.861 -11.459 0.319 1.00 0.00 C ATOM 1566 CD GLU A 126 -6.012 -12.493 1.059 1.00 0.00 C ATOM 1567 OE1 GLU A 126 -4.944 -12.129 1.527 1.00 0.00 O ATOM 1568 OE2 GLU A 126 -6.443 -13.631 1.144 1.00 0.00 O ATOM 0 H GLU A 126 -5.787 -11.285 -3.782 1.00 0.00 H new ATOM 0 HA GLU A 126 -6.869 -13.151 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -5.152 -11.232 -0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -6.476 -10.145 -1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -6.928 -10.542 0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -7.878 -11.832 0.193 1.00 0.00 H new