USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 692 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 38 SER OG : rot -149:sc= 1.35 USER MOD Set 1.2: A 85 GLN : amide:sc= 0.12 K(o=2.2,f=-0.014) USER MOD Set 1.3: A 88 SER OG : rot -60:sc= 0.778 USER MOD Set 2.1: A 13 TYR OH : rot -59:sc= -0.308 USER MOD Set 2.2: A 20 HIS : no HE2:sc= -1.69 X(o=-2,f=-1.6) USER MOD Set 3.1: A 8 SER OG : rot -107:sc= 0.423 USER MOD Set 3.2: A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 130:sc= 0 USER MOD Single : A 12 SER OG : rot 71:sc= 1.09 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 59:sc= 1.17 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 33:sc= 0.00893 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -150:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.25) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.883 K(o=0.88,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 14:sc= -0.244 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.835 K(o=-0.83,f=-9.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 39:sc= 0.0139 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -1.26! K(o=-1.3!,f=-0.18) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 74 N VAL A 7 -22.226 -0.281 -10.296 1.00 0.00 N ATOM 75 CA VAL A 7 -21.523 -0.161 -9.028 1.00 0.00 C ATOM 76 C VAL A 7 -20.282 0.699 -9.257 1.00 0.00 C ATOM 77 O VAL A 7 -19.229 0.241 -9.705 1.00 0.00 O ATOM 78 CB VAL A 7 -21.265 -1.587 -8.503 1.00 0.00 C ATOM 79 CG1 VAL A 7 -20.379 -1.642 -7.266 1.00 0.00 C ATOM 80 CG2 VAL A 7 -22.602 -2.264 -8.155 1.00 0.00 C ATOM 0 HA VAL A 7 -22.091 0.347 -8.249 1.00 0.00 H new ATOM 0 HB VAL A 7 -20.741 -2.104 -9.307 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -20.246 -2.680 -6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -19.408 -1.204 -7.494 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -20.848 -1.082 -6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -22.414 -3.272 -7.784 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -23.114 -1.685 -7.387 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -23.226 -2.316 -9.047 1.00 0.00 H new ATOM 90 N SER A 8 -20.439 1.983 -8.960 1.00 0.00 N ATOM 91 CA SER A 8 -19.423 3.007 -9.081 1.00 0.00 C ATOM 92 C SER A 8 -18.404 2.840 -7.954 1.00 0.00 C ATOM 93 O SER A 8 -18.773 2.471 -6.834 1.00 0.00 O ATOM 94 CB SER A 8 -20.157 4.332 -8.916 1.00 0.00 C ATOM 95 OG SER A 8 -19.307 5.434 -9.150 1.00 0.00 O ATOM 0 H SER A 8 -21.324 2.351 -8.611 1.00 0.00 H new ATOM 0 HA SER A 8 -18.894 2.953 -10.032 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.999 4.369 -9.607 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.568 4.397 -7.908 1.00 0.00 H new ATOM 0 HG SER A 8 -19.100 5.874 -8.299 1.00 0.00 H new ATOM 101 N TYR A 9 -17.135 3.130 -8.219 1.00 0.00 N ATOM 102 CA TYR A 9 -16.061 3.137 -7.239 1.00 0.00 C ATOM 103 C TYR A 9 -15.332 4.481 -7.297 1.00 0.00 C ATOM 104 O TYR A 9 -15.261 5.119 -8.348 1.00 0.00 O ATOM 105 CB TYR A 9 -15.089 1.998 -7.551 1.00 0.00 C ATOM 106 CG TYR A 9 -15.405 0.630 -6.977 1.00 0.00 C ATOM 107 CD1 TYR A 9 -16.630 -0.006 -7.229 1.00 0.00 C ATOM 108 CD2 TYR A 9 -14.412 -0.058 -6.263 1.00 0.00 C ATOM 109 CE1 TYR A 9 -16.841 -1.324 -6.802 1.00 0.00 C ATOM 110 CE2 TYR A 9 -14.599 -1.388 -5.860 1.00 0.00 C ATOM 111 CZ TYR A 9 -15.813 -2.042 -6.158 1.00 0.00 C ATOM 112 OH TYR A 9 -15.998 -3.349 -5.833 1.00 0.00 O ATOM 0 H TYR A 9 -16.817 3.375 -9.157 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.469 2.996 -6.238 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.022 1.901 -8.635 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.101 2.292 -7.196 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -17.413 0.522 -7.754 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -13.488 0.445 -6.020 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.799 -1.794 -6.968 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -13.819 -1.908 -5.325 1.00 0.00 H new ATOM 0 HH TYR A 9 -15.237 -3.877 -6.154 1.00 0.00 H new ATOM 122 N TYR A 10 -14.732 4.869 -6.176 1.00 0.00 N ATOM 123 CA TYR A 10 -14.017 6.114 -5.954 1.00 0.00 C ATOM 124 C TYR A 10 -12.727 5.744 -5.236 1.00 0.00 C ATOM 125 O TYR A 10 -12.784 5.174 -4.139 1.00 0.00 O ATOM 126 CB TYR A 10 -14.864 7.068 -5.100 1.00 0.00 C ATOM 127 CG TYR A 10 -16.162 7.509 -5.743 1.00 0.00 C ATOM 128 CD1 TYR A 10 -17.280 6.657 -5.715 1.00 0.00 C ATOM 129 CD2 TYR A 10 -16.246 8.764 -6.375 1.00 0.00 C ATOM 130 CE1 TYR A 10 -18.493 7.061 -6.292 1.00 0.00 C ATOM 131 CE2 TYR A 10 -17.455 9.170 -6.976 1.00 0.00 C ATOM 132 CZ TYR A 10 -18.588 8.321 -6.921 1.00 0.00 C ATOM 133 OH TYR A 10 -19.784 8.704 -7.447 1.00 0.00 O ATOM 0 H TYR A 10 -14.735 4.279 -5.344 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.807 6.627 -6.892 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -15.091 6.581 -4.152 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.270 7.952 -4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -17.204 5.687 -5.247 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -15.385 9.415 -6.399 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.353 6.409 -6.255 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.517 10.125 -7.477 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.696 9.595 -7.846 1.00 0.00 H new ATOM 143 N PHE A 11 -11.577 5.967 -5.878 1.00 0.00 N ATOM 144 CA PHE A 11 -10.278 5.725 -5.263 1.00 0.00 C ATOM 145 C PHE A 11 -9.283 6.777 -5.757 1.00 0.00 C ATOM 146 O PHE A 11 -8.509 6.501 -6.675 1.00 0.00 O ATOM 147 CB PHE A 11 -9.758 4.301 -5.536 1.00 0.00 C ATOM 148 CG PHE A 11 -8.551 3.886 -4.719 1.00 0.00 C ATOM 149 CD1 PHE A 11 -8.317 4.383 -3.417 1.00 0.00 C ATOM 150 CD2 PHE A 11 -7.696 2.905 -5.246 1.00 0.00 C ATOM 151 CE1 PHE A 11 -7.231 3.917 -2.665 1.00 0.00 C ATOM 152 CE2 PHE A 11 -6.614 2.434 -4.494 1.00 0.00 C ATOM 153 CZ PHE A 11 -6.396 2.930 -3.198 1.00 0.00 C ATOM 0 H PHE A 11 -11.525 6.319 -6.834 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.391 5.808 -4.182 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.566 3.594 -5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.506 4.220 -6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.979 5.127 -2.999 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.874 2.512 -6.236 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.040 4.317 -1.680 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.949 1.691 -4.909 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.577 2.546 -2.608 1.00 0.00 H new ATOM 163 N SER A 12 -9.318 7.985 -5.206 1.00 0.00 N ATOM 164 CA SER A 12 -8.342 9.024 -5.510 1.00 0.00 C ATOM 165 C SER A 12 -8.238 9.998 -4.335 1.00 0.00 C ATOM 166 O SER A 12 -8.907 9.801 -3.320 1.00 0.00 O ATOM 167 CB SER A 12 -8.729 9.722 -6.816 1.00 0.00 C ATOM 168 OG SER A 12 -9.995 10.357 -6.740 1.00 0.00 O ATOM 0 H SER A 12 -10.028 8.272 -4.532 1.00 0.00 H new ATOM 0 HA SER A 12 -7.355 8.585 -5.653 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.970 10.463 -7.067 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.741 8.991 -7.625 1.00 0.00 H new ATOM 0 HG SER A 12 -9.932 11.143 -6.158 1.00 0.00 H new ATOM 174 N TYR A 13 -7.451 11.067 -4.467 1.00 0.00 N ATOM 175 CA TYR A 13 -7.648 12.260 -3.657 1.00 0.00 C ATOM 176 C TYR A 13 -9.011 12.857 -4.000 1.00 0.00 C ATOM 177 O TYR A 13 -9.586 12.548 -5.053 1.00 0.00 O ATOM 178 CB TYR A 13 -6.546 13.290 -3.941 1.00 0.00 C ATOM 179 CG TYR A 13 -5.164 12.891 -3.468 1.00 0.00 C ATOM 180 CD1 TYR A 13 -4.378 11.971 -4.198 1.00 0.00 C ATOM 181 CD2 TYR A 13 -4.679 13.436 -2.266 1.00 0.00 C ATOM 182 CE1 TYR A 13 -3.117 11.564 -3.723 1.00 0.00 C ATOM 183 CE2 TYR A 13 -3.417 13.058 -1.792 1.00 0.00 C ATOM 184 CZ TYR A 13 -2.645 12.122 -2.514 1.00 0.00 C ATOM 185 OH TYR A 13 -1.446 11.741 -2.034 1.00 0.00 O ATOM 0 H TYR A 13 -6.675 11.127 -5.126 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.605 11.995 -2.601 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.508 13.473 -5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.819 14.233 -3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.749 11.575 -5.132 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.277 14.143 -1.711 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.526 10.844 -4.269 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.035 13.482 -0.875 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.448 10.773 -1.879 1.00 0.00 H new ATOM 195 N ALA A 14 -9.472 13.762 -3.141 1.00 0.00 N ATOM 196 CA ALA A 14 -10.606 14.620 -3.395 1.00 0.00 C ATOM 197 C ALA A 14 -10.153 16.006 -3.837 1.00 0.00 C ATOM 198 O ALA A 14 -10.816 16.607 -4.684 1.00 0.00 O ATOM 199 CB ALA A 14 -11.470 14.680 -2.135 1.00 0.00 C ATOM 0 H ALA A 14 -9.049 13.916 -2.226 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.201 14.212 -4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.330 15.325 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.815 13.677 -1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.882 15.080 -1.309 1.00 0.00 H new ATOM 205 N ASP A 15 -9.003 16.475 -3.360 1.00 0.00 N ATOM 206 CA ASP A 15 -8.416 17.766 -3.688 1.00 0.00 C ATOM 207 C ASP A 15 -6.971 17.499 -4.065 1.00 0.00 C ATOM 208 O ASP A 15 -6.046 17.753 -3.288 1.00 0.00 O ATOM 209 CB ASP A 15 -8.512 18.771 -2.535 1.00 0.00 C ATOM 210 CG ASP A 15 -9.838 19.514 -2.438 1.00 0.00 C ATOM 211 OD1 ASP A 15 -10.192 20.240 -3.396 1.00 0.00 O ATOM 212 OD2 ASP A 15 -10.465 19.490 -1.351 1.00 0.00 O ATOM 0 H ASP A 15 -8.432 15.940 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.965 18.225 -4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.339 18.243 -1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.710 19.502 -2.642 1.00 0.00 H new ATOM 217 N GLY A 16 -6.767 16.934 -5.249 1.00 0.00 N ATOM 218 CA GLY A 16 -5.447 16.996 -5.854 1.00 0.00 C ATOM 219 C GLY A 16 -5.371 16.212 -7.144 1.00 0.00 C ATOM 220 O GLY A 16 -5.012 16.752 -8.194 1.00 0.00 O ATOM 0 H GLY A 16 -7.476 16.443 -5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.187 18.037 -6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.709 16.608 -5.152 1.00 0.00 H new ATOM 224 N GLY A 17 -5.689 14.924 -7.090 1.00 0.00 N ATOM 225 CA GLY A 17 -5.395 14.034 -8.198 1.00 0.00 C ATOM 226 C GLY A 17 -5.339 12.575 -7.777 1.00 0.00 C ATOM 227 O GLY A 17 -6.206 12.096 -7.048 1.00 0.00 O ATOM 0 H GLY A 17 -6.147 14.478 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.155 14.157 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.441 14.317 -8.643 1.00 0.00 H new ATOM 231 N THR A 18 -4.337 11.854 -8.279 1.00 0.00 N ATOM 232 CA THR A 18 -4.269 10.397 -8.231 1.00 0.00 C ATOM 233 C THR A 18 -2.863 9.894 -7.872 1.00 0.00 C ATOM 234 O THR A 18 -2.518 8.759 -8.197 1.00 0.00 O ATOM 235 CB THR A 18 -4.838 9.816 -9.548 1.00 0.00 C ATOM 236 OG1 THR A 18 -4.495 10.577 -10.698 1.00 0.00 O ATOM 237 CG2 THR A 18 -6.365 9.727 -9.498 1.00 0.00 C ATOM 0 H THR A 18 -3.532 12.278 -8.741 1.00 0.00 H new ATOM 0 HA THR A 18 -4.895 10.028 -7.419 1.00 0.00 H new ATOM 0 HB THR A 18 -4.387 8.827 -9.634 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.882 10.158 -11.495 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.736 9.315 -10.437 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.665 9.080 -8.674 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.783 10.723 -9.348 1.00 0.00 H new ATOM 245 N SER A 19 -2.040 10.706 -7.198 1.00 0.00 N ATOM 246 CA SER A 19 -0.723 10.328 -6.699 1.00 0.00 C ATOM 247 C SER A 19 -0.189 11.377 -5.725 1.00 0.00 C ATOM 248 O SER A 19 -0.692 12.505 -5.657 1.00 0.00 O ATOM 249 CB SER A 19 0.205 10.133 -7.926 1.00 0.00 C ATOM 250 OG SER A 19 1.602 10.126 -7.684 1.00 0.00 O ATOM 0 H SER A 19 -2.284 11.672 -6.981 1.00 0.00 H new ATOM 0 HA SER A 19 -0.774 9.396 -6.136 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.060 9.190 -8.404 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.010 10.926 -8.642 1.00 0.00 H new ATOM 0 HG SER A 19 1.821 9.407 -7.055 1.00 0.00 H new ATOM 256 N HIS A 20 0.864 10.984 -5.011 1.00 0.00 N ATOM 257 CA HIS A 20 1.678 11.756 -4.087 1.00 0.00 C ATOM 258 C HIS A 20 3.116 11.915 -4.564 1.00 0.00 C ATOM 259 O HIS A 20 3.732 10.964 -5.060 1.00 0.00 O ATOM 260 CB HIS A 20 1.549 11.286 -2.621 1.00 0.00 C ATOM 261 CG HIS A 20 1.072 9.883 -2.263 1.00 0.00 C ATOM 262 ND1 HIS A 20 0.376 9.580 -1.108 1.00 0.00 N ATOM 263 CD2 HIS A 20 1.080 8.744 -3.020 1.00 0.00 C ATOM 264 CE1 HIS A 20 -0.015 8.295 -1.177 1.00 0.00 C ATOM 265 NE2 HIS A 20 0.405 7.738 -2.325 1.00 0.00 N ATOM 0 H HIS A 20 1.197 10.022 -5.075 1.00 0.00 H new ATOM 0 HA HIS A 20 1.264 12.764 -4.087 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.530 11.411 -2.163 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.874 11.984 -2.125 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.191 10.221 -0.336 1.00 0.00 H new ATOM 0 HD2 HIS A 20 1.534 8.640 -3.995 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.586 7.783 -0.417 1.00 0.00 H new ATOM 273 N THR A 21 3.652 13.129 -4.447 1.00 0.00 N ATOM 274 CA THR A 21 5.046 13.445 -4.715 1.00 0.00 C ATOM 275 C THR A 21 5.467 14.562 -3.766 1.00 0.00 C ATOM 276 O THR A 21 5.393 15.745 -4.100 1.00 0.00 O ATOM 277 CB THR A 21 5.282 13.803 -6.192 1.00 0.00 C ATOM 278 OG1 THR A 21 4.641 12.861 -7.042 1.00 0.00 O ATOM 279 CG2 THR A 21 6.777 13.816 -6.521 1.00 0.00 C ATOM 0 H THR A 21 3.108 13.941 -4.154 1.00 0.00 H new ATOM 0 HA THR A 21 5.667 12.567 -4.535 1.00 0.00 H new ATOM 0 HB THR A 21 4.865 14.796 -6.357 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.800 13.104 -7.978 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.916 14.072 -7.571 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.280 14.555 -5.898 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.200 12.830 -6.329 1.00 0.00 H new ATOM 287 N GLU A 22 5.868 14.196 -2.555 1.00 0.00 N ATOM 288 CA GLU A 22 6.360 15.165 -1.591 1.00 0.00 C ATOM 289 C GLU A 22 7.836 15.428 -1.890 1.00 0.00 C ATOM 290 O GLU A 22 8.585 14.497 -2.214 1.00 0.00 O ATOM 291 CB GLU A 22 6.103 14.636 -0.173 1.00 0.00 C ATOM 292 CG GLU A 22 6.040 15.753 0.883 1.00 0.00 C ATOM 293 CD GLU A 22 5.286 15.300 2.143 1.00 0.00 C ATOM 294 OE1 GLU A 22 4.074 14.998 2.032 1.00 0.00 O ATOM 295 OE2 GLU A 22 5.894 15.266 3.243 1.00 0.00 O ATOM 0 H GLU A 22 5.861 13.233 -2.219 1.00 0.00 H new ATOM 0 HA GLU A 22 5.838 16.119 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.165 14.081 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.892 13.934 0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.052 16.056 1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.548 16.628 0.459 1.00 0.00 H new ATOM 302 N TYR A 23 8.247 16.688 -1.766 1.00 0.00 N ATOM 303 CA TYR A 23 9.621 17.131 -1.925 1.00 0.00 C ATOM 304 C TYR A 23 10.029 17.804 -0.617 1.00 0.00 C ATOM 305 O TYR A 23 9.978 19.035 -0.543 1.00 0.00 O ATOM 306 CB TYR A 23 9.741 18.107 -3.107 1.00 0.00 C ATOM 307 CG TYR A 23 9.499 17.520 -4.476 1.00 0.00 C ATOM 308 CD1 TYR A 23 8.204 17.515 -5.024 1.00 0.00 C ATOM 309 CD2 TYR A 23 10.578 17.023 -5.226 1.00 0.00 C ATOM 310 CE1 TYR A 23 7.982 17.029 -6.324 1.00 0.00 C ATOM 311 CE2 TYR A 23 10.372 16.537 -6.529 1.00 0.00 C ATOM 312 CZ TYR A 23 9.074 16.549 -7.083 1.00 0.00 C ATOM 313 OH TYR A 23 8.884 16.115 -8.355 1.00 0.00 O ATOM 0 H TYR A 23 7.607 17.451 -1.544 1.00 0.00 H new ATOM 0 HA TYR A 23 10.278 16.288 -2.141 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.034 18.922 -2.953 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.740 18.544 -3.092 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.374 17.887 -4.442 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.570 17.014 -4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.985 17.022 -6.740 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.203 16.156 -7.104 1.00 0.00 H new ATOM 0 HH TYR A 23 9.740 15.821 -8.731 1.00 0.00 H new ATOM 323 N PRO A 24 10.340 17.054 0.448 1.00 0.00 N ATOM 324 CA PRO A 24 11.014 17.631 1.595 1.00 0.00 C ATOM 325 C PRO A 24 12.493 17.877 1.248 1.00 0.00 C ATOM 326 O PRO A 24 13.013 17.402 0.230 1.00 0.00 O ATOM 327 CB PRO A 24 10.808 16.610 2.715 1.00 0.00 C ATOM 328 CG PRO A 24 10.811 15.284 1.971 1.00 0.00 C ATOM 329 CD PRO A 24 10.197 15.615 0.609 1.00 0.00 C ATOM 0 HA PRO A 24 10.626 18.603 1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.605 16.658 3.457 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.869 16.774 3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.821 14.888 1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.226 14.530 2.499 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.708 15.079 -0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.148 15.320 0.571 1.00 0.00 H new ATOM 337 N ASP A 25 13.172 18.622 2.111 1.00 0.00 N ATOM 338 CA ASP A 25 14.592 18.949 2.051 1.00 0.00 C ATOM 339 C ASP A 25 14.990 19.423 3.441 1.00 0.00 C ATOM 340 O ASP A 25 14.122 19.853 4.205 1.00 0.00 O ATOM 341 CB ASP A 25 14.902 20.024 0.993 1.00 0.00 C ATOM 342 CG ASP A 25 16.412 20.228 0.802 1.00 0.00 C ATOM 343 OD1 ASP A 25 17.065 19.370 0.160 1.00 0.00 O ATOM 344 OD2 ASP A 25 16.985 21.228 1.300 1.00 0.00 O ATOM 0 H ASP A 25 12.718 19.041 2.923 1.00 0.00 H new ATOM 0 HA ASP A 25 15.163 18.070 1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.452 19.737 0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.444 20.967 1.290 1.00 0.00 H new ATOM 349 N ASP A 26 16.280 19.412 3.761 1.00 0.00 N ATOM 350 CA ASP A 26 16.826 19.578 5.105 1.00 0.00 C ATOM 351 C ASP A 26 16.340 18.486 6.057 1.00 0.00 C ATOM 352 O ASP A 26 17.069 17.519 6.252 1.00 0.00 O ATOM 353 CB ASP A 26 16.610 20.989 5.663 1.00 0.00 C ATOM 354 CG ASP A 26 17.443 21.159 6.926 1.00 0.00 C ATOM 355 OD1 ASP A 26 18.678 21.319 6.812 1.00 0.00 O ATOM 356 OD2 ASP A 26 16.897 21.125 8.051 1.00 0.00 O ATOM 0 H ASP A 26 17.008 19.281 3.058 1.00 0.00 H new ATOM 0 HA ASP A 26 17.906 19.458 5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.896 21.734 4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.555 21.148 5.884 1.00 0.00 H new ATOM 361 N SER A 27 15.127 18.594 6.603 1.00 0.00 N ATOM 362 CA SER A 27 14.575 17.675 7.587 1.00 0.00 C ATOM 363 C SER A 27 13.062 17.925 7.674 1.00 0.00 C ATOM 364 O SER A 27 12.611 18.702 8.522 1.00 0.00 O ATOM 365 CB SER A 27 15.329 17.896 8.914 1.00 0.00 C ATOM 366 OG SER A 27 14.746 17.291 10.053 1.00 0.00 O ATOM 0 H SER A 27 14.485 19.349 6.361 1.00 0.00 H new ATOM 0 HA SER A 27 14.706 16.627 7.318 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.345 17.517 8.802 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.407 18.968 9.093 1.00 0.00 H new ATOM 0 HG SER A 27 15.293 17.484 10.842 1.00 0.00 H new ATOM 372 N SER A 28 12.275 17.289 6.796 1.00 0.00 N ATOM 373 CA SER A 28 10.806 17.308 6.864 1.00 0.00 C ATOM 374 C SER A 28 10.159 15.928 6.634 1.00 0.00 C ATOM 375 O SER A 28 8.993 15.822 6.237 1.00 0.00 O ATOM 376 CB SER A 28 10.271 18.370 5.895 1.00 0.00 C ATOM 377 OG SER A 28 10.877 19.634 6.095 1.00 0.00 O ATOM 0 H SER A 28 12.640 16.744 6.015 1.00 0.00 H new ATOM 0 HA SER A 28 10.522 17.574 7.882 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.446 18.044 4.870 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.192 18.463 6.021 1.00 0.00 H new ATOM 0 HG SER A 28 10.508 20.279 5.456 1.00 0.00 H new ATOM 383 N ALA A 29 10.918 14.870 6.906 1.00 0.00 N ATOM 384 CA ALA A 29 10.446 13.493 6.974 1.00 0.00 C ATOM 385 C ALA A 29 9.607 13.318 8.245 1.00 0.00 C ATOM 386 O ALA A 29 10.113 13.568 9.347 1.00 0.00 O ATOM 387 CB ALA A 29 11.657 12.559 6.983 1.00 0.00 C ATOM 0 H ALA A 29 11.917 14.953 7.092 1.00 0.00 H new ATOM 0 HA ALA A 29 9.824 13.252 6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.318 11.524 7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.237 12.707 6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.280 12.780 7.850 1.00 0.00 H new ATOM 393 N GLY A 30 8.340 12.898 8.135 1.00 0.00 N ATOM 394 CA GLY A 30 7.467 12.820 9.289 1.00 0.00 C ATOM 395 C GLY A 30 6.215 12.013 8.977 1.00 0.00 C ATOM 396 O GLY A 30 6.070 11.414 7.902 1.00 0.00 O ATOM 0 H GLY A 30 7.908 12.610 7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.000 12.362 10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.186 13.825 9.605 1.00 0.00 H new ATOM 400 N SER A 31 5.326 11.976 9.964 1.00 0.00 N ATOM 401 CA SER A 31 4.034 11.331 9.898 1.00 0.00 C ATOM 402 C SER A 31 2.977 12.371 9.552 1.00 0.00 C ATOM 403 O SER A 31 2.867 13.408 10.217 1.00 0.00 O ATOM 404 CB SER A 31 3.732 10.607 11.222 1.00 0.00 C ATOM 405 OG SER A 31 3.804 11.415 12.390 1.00 0.00 O ATOM 0 H SER A 31 5.501 12.416 10.868 1.00 0.00 H new ATOM 0 HA SER A 31 4.030 10.572 9.116 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.733 10.175 11.161 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.431 9.778 11.331 1.00 0.00 H new ATOM 0 HG SER A 31 3.515 12.327 12.175 1.00 0.00 H new ATOM 411 N PHE A 32 2.195 12.098 8.515 1.00 0.00 N ATOM 412 CA PHE A 32 0.997 12.866 8.189 1.00 0.00 C ATOM 413 C PHE A 32 -0.246 11.986 7.998 1.00 0.00 C ATOM 414 O PHE A 32 -0.208 10.769 8.201 1.00 0.00 O ATOM 415 CB PHE A 32 1.294 13.785 7.001 1.00 0.00 C ATOM 416 CG PHE A 32 1.746 13.079 5.747 1.00 0.00 C ATOM 417 CD1 PHE A 32 0.821 12.353 4.978 1.00 0.00 C ATOM 418 CD2 PHE A 32 3.088 13.171 5.334 1.00 0.00 C ATOM 419 CE1 PHE A 32 1.221 11.753 3.780 1.00 0.00 C ATOM 420 CE2 PHE A 32 3.482 12.603 4.111 1.00 0.00 C ATOM 421 CZ PHE A 32 2.535 11.919 3.330 1.00 0.00 C ATOM 0 H PHE A 32 2.375 11.329 7.869 1.00 0.00 H new ATOM 0 HA PHE A 32 0.739 13.494 9.041 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.397 14.360 6.773 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.064 14.498 7.296 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.201 12.258 5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.813 13.677 5.955 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.520 11.165 3.206 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.504 12.691 3.774 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.825 11.517 2.371 1.00 0.00 H new ATOM 431 N ILE A 33 -1.361 12.636 7.646 1.00 0.00 N ATOM 432 CA ILE A 33 -2.697 12.113 7.369 1.00 0.00 C ATOM 433 C ILE A 33 -3.209 12.910 6.151 1.00 0.00 C ATOM 434 O ILE A 33 -2.922 14.110 6.050 1.00 0.00 O ATOM 435 CB ILE A 33 -3.579 12.312 8.632 1.00 0.00 C ATOM 436 CG1 ILE A 33 -2.944 11.594 9.846 1.00 0.00 C ATOM 437 CG2 ILE A 33 -5.045 11.888 8.417 1.00 0.00 C ATOM 438 CD1 ILE A 33 -3.834 11.499 11.086 1.00 0.00 C ATOM 0 H ILE A 33 -1.344 13.650 7.538 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.713 11.047 7.142 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.612 13.382 8.839 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.661 10.586 9.544 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.026 12.116 10.117 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.609 12.051 9.335 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.481 12.481 7.613 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.083 10.832 8.151 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.298 10.979 11.880 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.098 12.502 11.422 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.742 10.948 10.841 1.00 0.00 H new ATOM 450 N LEU A 34 -3.950 12.281 5.231 1.00 0.00 N ATOM 451 CA LEU A 34 -4.441 12.858 3.972 1.00 0.00 C ATOM 452 C LEU A 34 -5.975 12.791 3.921 1.00 0.00 C ATOM 453 O LEU A 34 -6.617 12.521 4.939 1.00 0.00 O ATOM 454 CB LEU A 34 -3.814 12.121 2.771 1.00 0.00 C ATOM 455 CG LEU A 34 -2.278 12.136 2.709 1.00 0.00 C ATOM 456 CD1 LEU A 34 -1.841 11.346 1.475 1.00 0.00 C ATOM 457 CD2 LEU A 34 -1.698 13.552 2.634 1.00 0.00 C ATOM 0 H LEU A 34 -4.238 11.310 5.349 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.145 13.906 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.149 11.084 2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.201 12.564 1.854 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.901 11.688 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.753 11.344 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.202 10.321 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.256 11.810 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.610 13.498 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.071 14.051 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.000 14.116 3.517 1.00 0.00 H new ATOM 469 N ASP A 35 -6.576 13.058 2.757 1.00 0.00 N ATOM 470 CA ASP A 35 -8.026 13.053 2.537 1.00 0.00 C ATOM 471 C ASP A 35 -8.341 12.204 1.299 1.00 0.00 C ATOM 472 O ASP A 35 -8.978 12.671 0.350 1.00 0.00 O ATOM 473 CB ASP A 35 -8.587 14.485 2.429 1.00 0.00 C ATOM 474 CG ASP A 35 -8.611 15.197 3.779 1.00 0.00 C ATOM 475 OD1 ASP A 35 -7.583 15.804 4.168 1.00 0.00 O ATOM 476 OD2 ASP A 35 -9.645 15.152 4.475 1.00 0.00 O ATOM 0 H ASP A 35 -6.050 13.291 1.915 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.522 12.605 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.981 15.059 1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.597 14.448 2.021 1.00 0.00 H new ATOM 481 N ILE A 36 -7.819 10.975 1.254 1.00 0.00 N ATOM 482 CA ILE A 36 -7.964 10.061 0.120 1.00 0.00 C ATOM 483 C ILE A 36 -9.322 9.357 0.219 1.00 0.00 C ATOM 484 O ILE A 36 -9.647 8.741 1.236 1.00 0.00 O ATOM 485 CB ILE A 36 -6.751 9.099 0.055 1.00 0.00 C ATOM 486 CG1 ILE A 36 -5.511 9.934 -0.361 1.00 0.00 C ATOM 487 CG2 ILE A 36 -6.982 7.932 -0.927 1.00 0.00 C ATOM 488 CD1 ILE A 36 -4.197 9.151 -0.438 1.00 0.00 C ATOM 0 H ILE A 36 -7.273 10.581 2.020 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.959 10.602 -0.826 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.600 8.643 1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.705 10.384 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.388 10.752 0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.104 7.286 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.852 7.357 -0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.153 8.327 -1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.391 9.821 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.971 8.723 0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.293 8.350 -1.171 1.00 0.00 H new ATOM 500 N THR A 37 -10.113 9.461 -0.845 1.00 0.00 N ATOM 501 CA THR A 37 -11.401 8.814 -1.005 1.00 0.00 C ATOM 502 C THR A 37 -11.194 7.309 -1.199 1.00 0.00 C ATOM 503 O THR A 37 -10.387 6.883 -2.027 1.00 0.00 O ATOM 504 CB THR A 37 -12.111 9.405 -2.237 1.00 0.00 C ATOM 505 OG1 THR A 37 -12.039 10.818 -2.294 1.00 0.00 O ATOM 506 CG2 THR A 37 -13.593 9.036 -2.238 1.00 0.00 C ATOM 0 H THR A 37 -9.857 10.026 -1.654 1.00 0.00 H new ATOM 0 HA THR A 37 -12.012 8.980 -0.118 1.00 0.00 H new ATOM 0 HB THR A 37 -11.591 8.983 -3.097 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.504 11.137 -3.096 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.074 9.464 -3.117 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.698 7.951 -2.259 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.066 9.429 -1.338 1.00 0.00 H new ATOM 514 N SER A 38 -11.981 6.494 -0.504 1.00 0.00 N ATOM 515 CA SER A 38 -12.105 5.061 -0.713 1.00 0.00 C ATOM 516 C SER A 38 -13.561 4.718 -0.442 1.00 0.00 C ATOM 517 O SER A 38 -13.989 4.749 0.715 1.00 0.00 O ATOM 518 CB SER A 38 -11.192 4.277 0.236 1.00 0.00 C ATOM 519 OG SER A 38 -11.536 2.909 0.149 1.00 0.00 O ATOM 0 H SER A 38 -12.575 6.832 0.253 1.00 0.00 H new ATOM 0 HA SER A 38 -11.807 4.793 -1.727 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.146 4.424 -0.034 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.310 4.634 1.259 1.00 0.00 H new ATOM 0 HG SER A 38 -11.370 2.474 1.011 1.00 0.00 H new ATOM 525 N TYR A 39 -14.319 4.393 -1.492 1.00 0.00 N ATOM 526 CA TYR A 39 -15.573 3.657 -1.358 1.00 0.00 C ATOM 527 C TYR A 39 -16.060 3.159 -2.716 1.00 0.00 C ATOM 528 O TYR A 39 -15.550 3.547 -3.769 1.00 0.00 O ATOM 529 CB TYR A 39 -16.673 4.492 -0.662 1.00 0.00 C ATOM 530 CG TYR A 39 -17.002 5.817 -1.309 1.00 0.00 C ATOM 531 CD1 TYR A 39 -18.008 5.893 -2.285 1.00 0.00 C ATOM 532 CD2 TYR A 39 -16.336 6.986 -0.905 1.00 0.00 C ATOM 533 CE1 TYR A 39 -18.341 7.138 -2.850 1.00 0.00 C ATOM 534 CE2 TYR A 39 -16.665 8.227 -1.468 1.00 0.00 C ATOM 535 CZ TYR A 39 -17.662 8.307 -2.462 1.00 0.00 C ATOM 536 OH TYR A 39 -17.999 9.490 -3.041 1.00 0.00 O ATOM 0 H TYR A 39 -14.080 4.633 -2.454 1.00 0.00 H new ATOM 0 HA TYR A 39 -15.367 2.797 -0.721 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -17.584 3.894 -0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -16.365 4.678 0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -18.525 4.999 -2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -15.563 6.928 -0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -19.126 7.196 -3.589 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -16.155 9.121 -1.141 1.00 0.00 H new ATOM 0 HH TYR A 39 -17.443 10.206 -2.669 1.00 0.00 H new ATOM 546 N LYS A 40 -17.090 2.318 -2.682 1.00 0.00 N ATOM 547 CA LYS A 40 -17.979 1.999 -3.792 1.00 0.00 C ATOM 548 C LYS A 40 -19.373 2.529 -3.452 1.00 0.00 C ATOM 549 O LYS A 40 -19.776 2.415 -2.293 1.00 0.00 O ATOM 550 CB LYS A 40 -17.882 0.495 -4.118 1.00 0.00 C ATOM 551 CG LYS A 40 -18.330 -0.512 -3.057 1.00 0.00 C ATOM 552 CD LYS A 40 -19.792 -0.899 -3.316 1.00 0.00 C ATOM 553 CE LYS A 40 -20.237 -1.985 -2.360 1.00 0.00 C ATOM 554 NZ LYS A 40 -19.887 -3.349 -2.802 1.00 0.00 N ATOM 0 H LYS A 40 -17.339 1.814 -1.831 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.692 2.492 -4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.470 0.312 -5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.843 0.276 -4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.696 -1.398 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.226 -0.080 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.431 -0.023 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.905 -1.244 -4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.787 -1.803 -1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.317 -1.921 -2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.222 -4.038 -2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.337 -3.543 -3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.855 -3.428 -2.899 1.00 0.00 H new ATOM 568 N LYS A 41 -20.064 3.193 -4.391 1.00 0.00 N ATOM 569 CA LYS A 41 -21.368 3.832 -4.197 1.00 0.00 C ATOM 570 C LYS A 41 -22.402 3.128 -5.046 1.00 0.00 C ATOM 571 O LYS A 41 -22.188 2.995 -6.256 1.00 0.00 O ATOM 572 CB LYS A 41 -21.282 5.295 -4.611 1.00 0.00 C ATOM 573 CG LYS A 41 -22.502 6.135 -4.221 1.00 0.00 C ATOM 574 CD LYS A 41 -22.193 7.619 -4.464 1.00 0.00 C ATOM 575 CE LYS A 41 -23.244 8.463 -3.741 1.00 0.00 C ATOM 576 NZ LYS A 41 -22.989 9.911 -3.859 1.00 0.00 N ATOM 0 H LYS A 41 -19.713 3.302 -5.343 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.653 3.768 -3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.393 5.736 -4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.150 5.347 -5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.370 5.831 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.752 5.970 -3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.196 7.862 -4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.202 7.837 -5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.229 8.237 -4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -23.264 8.186 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.730 10.436 -3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.061 10.135 -3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -22.996 10.184 -4.862 1.00 0.00 H new ATOM 590 N THR A 42 -23.464 2.629 -4.434 1.00 0.00 N ATOM 591 CA THR A 42 -24.503 1.922 -5.172 1.00 0.00 C ATOM 592 C THR A 42 -25.797 1.905 -4.353 1.00 0.00 C ATOM 593 O THR A 42 -25.772 1.958 -3.117 1.00 0.00 O ATOM 594 CB THR A 42 -23.991 0.528 -5.613 1.00 0.00 C ATOM 595 OG1 THR A 42 -24.995 -0.221 -6.272 1.00 0.00 O ATOM 596 CG2 THR A 42 -23.386 -0.310 -4.477 1.00 0.00 C ATOM 0 H THR A 42 -23.631 2.699 -3.430 1.00 0.00 H new ATOM 0 HA THR A 42 -24.746 2.443 -6.098 1.00 0.00 H new ATOM 0 HB THR A 42 -23.183 0.747 -6.312 1.00 0.00 H new ATOM 0 HG1 THR A 42 -24.845 -1.177 -6.116 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.053 -1.270 -4.871 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.537 0.220 -4.046 1.00 0.00 H new ATOM 0 HG23 THR A 42 -24.139 -0.476 -3.706 1.00 0.00 H new ATOM 604 N GLY A 43 -26.933 1.815 -5.052 1.00 0.00 N ATOM 605 CA GLY A 43 -28.279 1.867 -4.508 1.00 0.00 C ATOM 606 C GLY A 43 -28.560 3.232 -3.899 1.00 0.00 C ATOM 607 O GLY A 43 -29.176 4.091 -4.525 1.00 0.00 O ATOM 0 H GLY A 43 -26.930 1.698 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -29.003 1.658 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -28.401 1.093 -3.750 1.00 0.00 H new ATOM 611 N ASN A 44 -28.123 3.418 -2.659 1.00 0.00 N ATOM 612 CA ASN A 44 -28.323 4.628 -1.874 1.00 0.00 C ATOM 613 C ASN A 44 -27.124 4.908 -0.953 1.00 0.00 C ATOM 614 O ASN A 44 -27.112 5.922 -0.258 1.00 0.00 O ATOM 615 CB ASN A 44 -29.637 4.469 -1.088 1.00 0.00 C ATOM 616 CG ASN A 44 -29.964 5.675 -0.218 1.00 0.00 C ATOM 617 OD1 ASN A 44 -29.937 6.812 -0.678 1.00 0.00 O ATOM 618 ND2 ASN A 44 -30.294 5.461 1.044 1.00 0.00 N ATOM 0 H ASN A 44 -27.600 2.702 -2.155 1.00 0.00 H new ATOM 0 HA ASN A 44 -28.396 5.495 -2.531 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -30.455 4.302 -1.789 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -29.571 3.582 -0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -30.531 6.247 1.650 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -30.312 4.510 1.412 1.00 0.00 H new ATOM 625 N SER A 45 -26.086 4.069 -0.932 1.00 0.00 N ATOM 626 CA SER A 45 -25.087 4.025 0.118 1.00 0.00 C ATOM 627 C SER A 45 -23.664 3.948 -0.433 1.00 0.00 C ATOM 628 O SER A 45 -23.453 3.772 -1.636 1.00 0.00 O ATOM 629 CB SER A 45 -25.448 2.835 1.011 1.00 0.00 C ATOM 630 OG SER A 45 -25.972 1.727 0.292 1.00 0.00 O ATOM 0 H SER A 45 -25.920 3.385 -1.670 1.00 0.00 H new ATOM 0 HA SER A 45 -25.095 4.948 0.698 1.00 0.00 H new ATOM 0 HB2 SER A 45 -24.559 2.517 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 45 -26.179 3.156 1.753 1.00 0.00 H new ATOM 0 HG SER A 45 -26.181 1.001 0.916 1.00 0.00 H new ATOM 636 N THR A 46 -22.686 4.058 0.463 1.00 0.00 N ATOM 637 CA THR A 46 -21.263 4.074 0.212 1.00 0.00 C ATOM 638 C THR A 46 -20.630 3.064 1.175 1.00 0.00 C ATOM 639 O THR A 46 -20.842 3.098 2.390 1.00 0.00 O ATOM 640 CB THR A 46 -20.698 5.507 0.332 1.00 0.00 C ATOM 641 OG1 THR A 46 -21.189 6.198 1.467 1.00 0.00 O ATOM 642 CG2 THR A 46 -21.083 6.342 -0.888 1.00 0.00 C ATOM 0 H THR A 46 -22.893 4.144 1.458 1.00 0.00 H new ATOM 0 HA THR A 46 -21.024 3.775 -0.809 1.00 0.00 H new ATOM 0 HB THR A 46 -19.618 5.387 0.416 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.800 7.097 1.496 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.676 7.348 -0.784 1.00 0.00 H new ATOM 0 HG22 THR A 46 -20.680 5.878 -1.788 1.00 0.00 H new ATOM 0 HG23 THR A 46 -22.169 6.397 -0.964 1.00 0.00 H new ATOM 650 N LYS A 47 -19.913 2.096 0.610 1.00 0.00 N ATOM 651 CA LYS A 47 -19.164 1.065 1.330 1.00 0.00 C ATOM 652 C LYS A 47 -17.684 1.400 1.159 1.00 0.00 C ATOM 653 O LYS A 47 -17.191 1.323 0.030 1.00 0.00 O ATOM 654 CB LYS A 47 -19.537 -0.338 0.790 1.00 0.00 C ATOM 655 CG LYS A 47 -19.740 -1.420 1.870 1.00 0.00 C ATOM 656 CD LYS A 47 -18.777 -2.613 1.799 1.00 0.00 C ATOM 657 CE LYS A 47 -17.351 -2.198 2.173 1.00 0.00 C ATOM 658 NZ LYS A 47 -16.445 -3.357 2.297 1.00 0.00 N ATOM 0 H LYS A 47 -19.834 2.003 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.406 1.045 2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -20.453 -0.254 0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.753 -0.669 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.641 -0.953 2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.761 -1.795 1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.118 -3.399 2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.785 -3.030 0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.963 -1.516 1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.369 -1.651 3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.492 -3.027 2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.799 -3.997 3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.405 -3.865 1.390 1.00 0.00 H new ATOM 672 N ALA A 48 -17.010 1.849 2.218 1.00 0.00 N ATOM 673 CA ALA A 48 -15.584 2.151 2.190 1.00 0.00 C ATOM 674 C ALA A 48 -14.791 0.856 2.059 1.00 0.00 C ATOM 675 O ALA A 48 -15.263 -0.201 2.485 1.00 0.00 O ATOM 676 CB ALA A 48 -15.159 2.896 3.457 1.00 0.00 C ATOM 0 H ALA A 48 -17.445 2.014 3.126 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.381 2.793 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.091 3.110 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -15.714 3.831 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -15.369 2.278 4.330 1.00 0.00 H new ATOM 682 N LEU A 49 -13.576 0.949 1.522 1.00 0.00 N ATOM 683 CA LEU A 49 -12.661 -0.184 1.387 1.00 0.00 C ATOM 684 C LEU A 49 -11.349 0.083 2.121 1.00 0.00 C ATOM 685 O LEU A 49 -10.881 1.223 2.137 1.00 0.00 O ATOM 686 CB LEU A 49 -12.381 -0.449 -0.098 1.00 0.00 C ATOM 687 CG LEU A 49 -13.631 -0.678 -0.965 1.00 0.00 C ATOM 688 CD1 LEU A 49 -13.251 -0.604 -2.436 1.00 0.00 C ATOM 689 CD2 LEU A 49 -14.267 -2.020 -0.606 1.00 0.00 C ATOM 0 H LEU A 49 -13.194 1.824 1.164 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.131 -1.061 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.826 0.397 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.735 -1.323 -0.180 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.369 0.100 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.137 -0.766 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -12.833 0.379 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -12.510 -1.371 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.152 -2.179 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.551 -2.822 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.552 -2.018 0.446 1.00 0.00 H new ATOM 701 N SER A 50 -10.730 -0.967 2.664 1.00 0.00 N ATOM 702 CA SER A 50 -9.360 -0.888 3.163 1.00 0.00 C ATOM 703 C SER A 50 -8.389 -0.986 1.985 1.00 0.00 C ATOM 704 O SER A 50 -8.734 -1.503 0.918 1.00 0.00 O ATOM 705 CB SER A 50 -9.072 -2.032 4.138 1.00 0.00 C ATOM 706 OG SER A 50 -9.974 -2.047 5.230 1.00 0.00 O ATOM 0 H SER A 50 -11.160 -1.886 2.769 1.00 0.00 H new ATOM 0 HA SER A 50 -9.234 0.061 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.131 -2.982 3.607 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.053 -1.939 4.513 1.00 0.00 H new ATOM 0 HG SER A 50 -9.754 -2.794 5.825 1.00 0.00 H new ATOM 712 N TRP A 51 -7.153 -0.537 2.179 1.00 0.00 N ATOM 713 CA TRP A 51 -6.080 -0.644 1.203 1.00 0.00 C ATOM 714 C TRP A 51 -4.753 -1.019 1.860 1.00 0.00 C ATOM 715 O TRP A 51 -4.651 -1.141 3.085 1.00 0.00 O ATOM 716 CB TRP A 51 -5.967 0.661 0.407 1.00 0.00 C ATOM 717 CG TRP A 51 -5.580 1.919 1.124 1.00 0.00 C ATOM 718 CD1 TRP A 51 -4.317 2.393 1.232 1.00 0.00 C ATOM 719 CD2 TRP A 51 -6.436 2.917 1.762 1.00 0.00 C ATOM 720 NE1 TRP A 51 -4.336 3.635 1.829 1.00 0.00 N ATOM 721 CE2 TRP A 51 -5.617 4.014 2.165 1.00 0.00 C ATOM 722 CE3 TRP A 51 -7.821 3.029 2.010 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -6.147 5.175 2.745 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -8.360 4.168 2.639 1.00 0.00 C ATOM 725 CH2 TRP A 51 -7.526 5.248 2.992 1.00 0.00 C ATOM 0 H TRP A 51 -6.865 -0.077 3.043 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.323 -1.451 0.512 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -5.240 0.499 -0.389 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.930 0.838 -0.072 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.429 1.876 0.900 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -3.506 4.202 2.000 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -8.479 2.227 1.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.502 6.003 2.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -9.418 4.214 2.852 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.948 6.130 3.452 1.00 0.00 H new ATOM 736 N ASN A 52 -3.738 -1.247 1.027 1.00 0.00 N ATOM 737 CA ASN A 52 -2.468 -1.832 1.414 1.00 0.00 C ATOM 738 C ASN A 52 -1.364 -1.293 0.511 1.00 0.00 C ATOM 739 O ASN A 52 -1.585 -1.007 -0.667 1.00 0.00 O ATOM 740 CB ASN A 52 -2.569 -3.362 1.326 1.00 0.00 C ATOM 741 CG ASN A 52 -3.009 -3.866 -0.044 1.00 0.00 C ATOM 742 OD1 ASN A 52 -4.177 -3.771 -0.414 1.00 0.00 O ATOM 743 ND2 ASN A 52 -2.112 -4.440 -0.820 1.00 0.00 N ATOM 0 H ASN A 52 -3.785 -1.020 0.034 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.224 -1.563 2.442 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.600 -3.797 1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.275 -3.715 2.078 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.386 -4.807 -1.731 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.143 -4.517 -0.509 1.00 0.00 H new ATOM 750 N ALA A 53 -0.158 -1.178 1.066 1.00 0.00 N ATOM 751 CA ALA A 53 1.041 -0.655 0.423 1.00 0.00 C ATOM 752 C ALA A 53 2.271 -1.313 1.032 1.00 0.00 C ATOM 753 O ALA A 53 2.199 -1.753 2.181 1.00 0.00 O ATOM 754 CB ALA A 53 1.148 0.846 0.682 1.00 0.00 C ATOM 0 H ALA A 53 0.015 -1.464 2.030 1.00 0.00 H new ATOM 0 HA ALA A 53 0.982 -0.858 -0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.045 1.235 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.271 1.349 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.205 1.027 1.755 1.00 0.00 H new ATOM 760 N SER A 54 3.409 -1.272 0.339 1.00 0.00 N ATOM 761 CA SER A 54 4.645 -1.921 0.782 1.00 0.00 C ATOM 762 C SER A 54 5.727 -1.797 -0.289 1.00 0.00 C ATOM 763 O SER A 54 5.428 -1.867 -1.486 1.00 0.00 O ATOM 764 CB SER A 54 4.398 -3.409 1.115 1.00 0.00 C ATOM 765 OG SER A 54 3.610 -4.047 0.124 1.00 0.00 O ATOM 0 H SER A 54 3.501 -0.784 -0.552 1.00 0.00 H new ATOM 0 HA SER A 54 4.984 -1.417 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.354 -3.924 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.900 -3.487 2.081 1.00 0.00 H new ATOM 0 HG SER A 54 3.476 -4.987 0.368 1.00 0.00 H new ATOM 771 N GLY A 55 6.977 -1.673 0.155 1.00 0.00 N ATOM 772 CA GLY A 55 8.170 -1.775 -0.662 1.00 0.00 C ATOM 773 C GLY A 55 9.371 -1.342 0.173 1.00 0.00 C ATOM 774 O GLY A 55 9.974 -2.177 0.855 1.00 0.00 O ATOM 0 H GLY A 55 7.187 -1.491 1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.302 -2.799 -1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.078 -1.145 -1.547 1.00 0.00 H new ATOM 778 N ASP A 56 9.714 -0.054 0.123 1.00 0.00 N ATOM 779 CA ASP A 56 10.839 0.586 0.818 1.00 0.00 C ATOM 780 C ASP A 56 10.723 0.416 2.344 1.00 0.00 C ATOM 781 O ASP A 56 9.650 0.089 2.857 1.00 0.00 O ATOM 782 CB ASP A 56 10.884 2.085 0.462 1.00 0.00 C ATOM 783 CG ASP A 56 11.136 2.392 -1.025 1.00 0.00 C ATOM 784 OD1 ASP A 56 10.271 2.066 -1.869 1.00 0.00 O ATOM 785 OD2 ASP A 56 12.197 2.954 -1.370 1.00 0.00 O ATOM 0 H ASP A 56 9.183 0.613 -0.437 1.00 0.00 H new ATOM 0 HA ASP A 56 11.760 0.102 0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.939 2.542 0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.666 2.560 1.054 1.00 0.00 H new ATOM 790 N SER A 57 11.807 0.660 3.086 1.00 0.00 N ATOM 791 CA SER A 57 11.911 0.476 4.541 1.00 0.00 C ATOM 792 C SER A 57 11.587 1.714 5.377 1.00 0.00 C ATOM 793 O SER A 57 11.668 1.677 6.605 1.00 0.00 O ATOM 794 CB SER A 57 13.333 0.042 4.882 1.00 0.00 C ATOM 795 OG SER A 57 13.702 -1.121 4.162 1.00 0.00 O ATOM 0 H SER A 57 12.674 1.006 2.674 1.00 0.00 H new ATOM 0 HA SER A 57 11.162 -0.274 4.794 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.027 0.850 4.652 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.410 -0.150 5.952 1.00 0.00 H new ATOM 0 HG SER A 57 14.618 -1.375 4.399 1.00 0.00 H new ATOM 801 N TRP A 58 11.272 2.818 4.720 1.00 0.00 N ATOM 802 CA TRP A 58 11.052 4.118 5.326 1.00 0.00 C ATOM 803 C TRP A 58 9.726 4.682 4.822 1.00 0.00 C ATOM 804 O TRP A 58 9.600 5.884 4.633 1.00 0.00 O ATOM 805 CB TRP A 58 12.260 5.002 4.990 1.00 0.00 C ATOM 806 CG TRP A 58 12.584 5.121 3.527 1.00 0.00 C ATOM 807 CD1 TRP A 58 13.276 4.219 2.791 1.00 0.00 C ATOM 808 CD2 TRP A 58 12.270 6.222 2.622 1.00 0.00 C ATOM 809 NE1 TRP A 58 13.421 4.698 1.504 1.00 0.00 N ATOM 810 CE2 TRP A 58 12.883 5.958 1.367 1.00 0.00 C ATOM 811 CE3 TRP A 58 11.588 7.449 2.743 1.00 0.00 C ATOM 812 CZ2 TRP A 58 12.893 6.891 0.324 1.00 0.00 C ATOM 813 CZ3 TRP A 58 11.601 8.400 1.709 1.00 0.00 C ATOM 814 CH2 TRP A 58 12.263 8.133 0.501 1.00 0.00 C ATOM 0 H TRP A 58 11.158 2.832 3.706 1.00 0.00 H new ATOM 0 HA TRP A 58 10.973 4.062 6.412 1.00 0.00 H new ATOM 0 HB2 TRP A 58 12.080 6.001 5.387 1.00 0.00 H new ATOM 0 HB3 TRP A 58 13.134 4.606 5.507 1.00 0.00 H new ATOM 0 HD1 TRP A 58 13.655 3.275 3.153 1.00 0.00 H new ATOM 0 HE1 TRP A 58 13.871 4.182 0.748 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.043 7.663 3.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.382 6.657 -0.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 11.097 9.345 1.845 1.00 0.00 H new ATOM 0 HH2 TRP A 58 12.288 8.875 -0.284 1.00 0.00 H new ATOM 825 N ILE A 59 8.765 3.813 4.497 1.00 0.00 N ATOM 826 CA ILE A 59 7.483 4.190 3.932 1.00 0.00 C ATOM 827 C ILE A 59 6.462 3.236 4.558 1.00 0.00 C ATOM 828 O ILE A 59 6.165 2.162 4.012 1.00 0.00 O ATOM 829 CB ILE A 59 7.535 4.152 2.383 1.00 0.00 C ATOM 830 CG1 ILE A 59 8.578 5.148 1.815 1.00 0.00 C ATOM 831 CG2 ILE A 59 6.144 4.462 1.806 1.00 0.00 C ATOM 832 CD1 ILE A 59 8.656 5.236 0.289 1.00 0.00 C ATOM 0 H ILE A 59 8.867 2.806 4.626 1.00 0.00 H new ATOM 0 HA ILE A 59 7.199 5.218 4.159 1.00 0.00 H new ATOM 0 HB ILE A 59 7.841 3.149 2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.354 6.141 2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.561 4.870 2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.187 4.434 0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.429 3.719 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.828 5.453 2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.418 5.962 0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.916 4.259 -0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.690 5.549 -0.107 1.00 0.00 H new ATOM 844 N HIS A 60 5.926 3.621 5.713 1.00 0.00 N ATOM 845 CA HIS A 60 4.898 2.874 6.420 1.00 0.00 C ATOM 846 C HIS A 60 3.523 3.326 5.909 1.00 0.00 C ATOM 847 O HIS A 60 3.424 4.298 5.151 1.00 0.00 O ATOM 848 CB HIS A 60 5.058 3.047 7.932 1.00 0.00 C ATOM 849 CG HIS A 60 6.441 2.683 8.419 1.00 0.00 C ATOM 850 ND1 HIS A 60 7.184 1.564 8.105 1.00 0.00 N ATOM 851 CD2 HIS A 60 7.264 3.533 9.089 1.00 0.00 C ATOM 852 CE1 HIS A 60 8.428 1.742 8.589 1.00 0.00 C ATOM 853 NE2 HIS A 60 8.530 2.939 9.199 1.00 0.00 N ATOM 0 H HIS A 60 6.202 4.479 6.191 1.00 0.00 H new ATOM 0 HA HIS A 60 4.996 1.806 6.224 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.844 4.082 8.199 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.322 2.427 8.444 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.989 4.504 9.473 1.00 0.00 H new ATOM 0 HE1 HIS A 60 9.231 1.026 8.501 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.357 3.332 9.648 1.00 0.00 H new ATOM 861 N VAL A 61 2.453 2.641 6.316 1.00 0.00 N ATOM 862 CA VAL A 61 1.077 3.087 6.165 1.00 0.00 C ATOM 863 C VAL A 61 0.210 2.366 7.199 1.00 0.00 C ATOM 864 O VAL A 61 0.551 1.271 7.669 1.00 0.00 O ATOM 865 CB VAL A 61 0.621 2.823 4.718 1.00 0.00 C ATOM 866 CG1 VAL A 61 0.527 1.334 4.378 1.00 0.00 C ATOM 867 CG2 VAL A 61 -0.675 3.551 4.346 1.00 0.00 C ATOM 0 H VAL A 61 2.528 1.733 6.774 1.00 0.00 H new ATOM 0 HA VAL A 61 0.983 4.158 6.345 1.00 0.00 H new ATOM 0 HB VAL A 61 1.414 3.247 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.201 1.217 3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.505 0.869 4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.192 0.854 5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.938 3.321 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.478 3.225 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.532 4.626 4.453 1.00 0.00 H new ATOM 877 N ASN A 62 -0.934 2.958 7.523 1.00 0.00 N ATOM 878 CA ASN A 62 -2.012 2.446 8.352 1.00 0.00 C ATOM 879 C ASN A 62 -3.339 2.928 7.755 1.00 0.00 C ATOM 880 O ASN A 62 -3.322 3.619 6.733 1.00 0.00 O ATOM 881 CB ASN A 62 -1.800 2.942 9.790 1.00 0.00 C ATOM 882 CG ASN A 62 -1.346 1.824 10.717 1.00 0.00 C ATOM 883 OD1 ASN A 62 -1.935 1.564 11.760 1.00 0.00 O ATOM 884 ND2 ASN A 62 -0.267 1.139 10.382 1.00 0.00 N ATOM 0 H ASN A 62 -1.147 3.894 7.179 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.028 1.356 8.378 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.057 3.739 9.793 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.729 3.371 10.166 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.074 0.395 10.991 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.225 1.354 9.514 1.00 0.00 H new ATOM 891 N GLY A 63 -4.473 2.578 8.377 1.00 0.00 N ATOM 892 CA GLY A 63 -5.822 2.886 7.895 1.00 0.00 C ATOM 893 C GLY A 63 -5.985 4.331 7.415 1.00 0.00 C ATOM 894 O GLY A 63 -6.398 4.547 6.272 1.00 0.00 O ATOM 0 H GLY A 63 -4.475 2.058 9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.070 2.210 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.537 2.694 8.695 1.00 0.00 H new ATOM 898 N SER A 64 -5.598 5.311 8.237 1.00 0.00 N ATOM 899 CA SER A 64 -5.679 6.730 7.898 1.00 0.00 C ATOM 900 C SER A 64 -4.346 7.461 8.028 1.00 0.00 C ATOM 901 O SER A 64 -4.275 8.618 7.618 1.00 0.00 O ATOM 902 CB SER A 64 -6.747 7.416 8.754 1.00 0.00 C ATOM 903 OG SER A 64 -7.979 6.722 8.680 1.00 0.00 O ATOM 0 H SER A 64 -5.216 5.137 9.166 1.00 0.00 H new ATOM 0 HA SER A 64 -5.957 6.783 6.845 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.413 7.462 9.791 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.883 8.444 8.417 1.00 0.00 H new ATOM 0 HG SER A 64 -8.645 7.178 9.236 1.00 0.00 H new ATOM 909 N SER A 65 -3.303 6.835 8.566 1.00 0.00 N ATOM 910 CA SER A 65 -2.075 7.530 8.920 1.00 0.00 C ATOM 911 C SER A 65 -0.891 6.943 8.167 1.00 0.00 C ATOM 912 O SER A 65 -0.918 5.788 7.731 1.00 0.00 O ATOM 913 CB SER A 65 -1.887 7.455 10.432 1.00 0.00 C ATOM 914 OG SER A 65 -3.023 7.993 11.080 1.00 0.00 O ATOM 0 H SER A 65 -3.288 5.835 8.767 1.00 0.00 H new ATOM 0 HA SER A 65 -2.141 8.579 8.630 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.737 6.420 10.739 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.994 8.007 10.725 1.00 0.00 H new ATOM 0 HG SER A 65 -2.900 7.942 12.051 1.00 0.00 H new ATOM 920 N VAL A 66 0.155 7.748 7.999 1.00 0.00 N ATOM 921 CA VAL A 66 1.319 7.405 7.200 1.00 0.00 C ATOM 922 C VAL A 66 2.557 7.869 7.988 1.00 0.00 C ATOM 923 O VAL A 66 2.427 8.667 8.922 1.00 0.00 O ATOM 924 CB VAL A 66 1.191 8.069 5.802 1.00 0.00 C ATOM 925 CG1 VAL A 66 1.983 7.260 4.770 1.00 0.00 C ATOM 926 CG2 VAL A 66 -0.241 8.224 5.251 1.00 0.00 C ATOM 0 H VAL A 66 0.214 8.673 8.424 1.00 0.00 H new ATOM 0 HA VAL A 66 1.407 6.333 7.020 1.00 0.00 H new ATOM 0 HB VAL A 66 1.579 9.076 5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.890 7.730 3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.033 7.230 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.590 6.244 4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.204 8.699 4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.704 7.242 5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.828 8.841 5.932 1.00 0.00 H new ATOM 936 N SER A 67 3.743 7.356 7.653 1.00 0.00 N ATOM 937 CA SER A 67 5.032 7.931 8.025 1.00 0.00 C ATOM 938 C SER A 67 6.000 7.623 6.894 1.00 0.00 C ATOM 939 O SER A 67 6.003 6.480 6.426 1.00 0.00 O ATOM 940 CB SER A 67 5.588 7.324 9.314 1.00 0.00 C ATOM 941 OG SER A 67 4.830 7.664 10.455 1.00 0.00 O ATOM 0 H SER A 67 3.833 6.504 7.099 1.00 0.00 H new ATOM 0 HA SER A 67 4.906 9.001 8.193 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.618 6.239 9.215 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.615 7.660 9.454 1.00 0.00 H new ATOM 0 HG SER A 67 3.972 8.046 10.176 1.00 0.00 H new ATOM 947 N TYR A 68 6.826 8.597 6.506 1.00 0.00 N ATOM 948 CA TYR A 68 7.952 8.396 5.607 1.00 0.00 C ATOM 949 C TYR A 68 9.205 8.881 6.337 1.00 0.00 C ATOM 950 O TYR A 68 9.386 10.091 6.497 1.00 0.00 O ATOM 951 CB TYR A 68 7.787 9.116 4.254 1.00 0.00 C ATOM 952 CG TYR A 68 6.463 8.990 3.520 1.00 0.00 C ATOM 953 CD1 TYR A 68 5.700 7.811 3.546 1.00 0.00 C ATOM 954 CD2 TYR A 68 6.019 10.062 2.731 1.00 0.00 C ATOM 955 CE1 TYR A 68 4.460 7.754 2.894 1.00 0.00 C ATOM 956 CE2 TYR A 68 4.809 9.997 2.041 1.00 0.00 C ATOM 957 CZ TYR A 68 3.981 8.869 2.172 1.00 0.00 C ATOM 958 OH TYR A 68 2.779 8.827 1.528 1.00 0.00 O ATOM 0 H TYR A 68 6.725 9.563 6.816 1.00 0.00 H new ATOM 0 HA TYR A 68 8.023 7.337 5.357 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.975 10.177 4.419 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.570 8.753 3.588 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.071 6.943 4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.625 10.953 2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.868 6.852 2.944 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.507 10.816 1.404 1.00 0.00 H new ATOM 0 HH TYR A 68 2.615 9.686 1.086 1.00 0.00 H new ATOM 968 N ASP A 69 10.034 7.963 6.838 1.00 0.00 N ATOM 969 CA ASP A 69 11.252 8.301 7.592 1.00 0.00 C ATOM 970 C ASP A 69 12.377 8.822 6.683 1.00 0.00 C ATOM 971 O ASP A 69 12.299 8.784 5.455 1.00 0.00 O ATOM 972 CB ASP A 69 11.751 7.086 8.398 1.00 0.00 C ATOM 973 CG ASP A 69 12.444 7.436 9.721 1.00 0.00 C ATOM 974 OD1 ASP A 69 12.987 8.549 9.901 1.00 0.00 O ATOM 975 OD2 ASP A 69 12.395 6.567 10.619 1.00 0.00 O ATOM 0 H ASP A 69 9.883 6.960 6.734 1.00 0.00 H new ATOM 0 HA ASP A 69 10.982 9.104 8.278 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.903 6.434 8.609 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.445 6.517 7.779 1.00 0.00 H new ATOM 980 N GLU A 70 13.464 9.276 7.288 1.00 0.00 N ATOM 981 CA GLU A 70 14.689 9.733 6.661 1.00 0.00 C ATOM 982 C GLU A 70 15.590 8.532 6.332 1.00 0.00 C ATOM 983 O GLU A 70 15.128 7.385 6.289 1.00 0.00 O ATOM 984 CB GLU A 70 15.335 10.744 7.621 1.00 0.00 C ATOM 985 CG GLU A 70 15.948 11.938 6.883 1.00 0.00 C ATOM 986 CD GLU A 70 16.038 13.115 7.846 1.00 0.00 C ATOM 987 OE1 GLU A 70 16.961 13.113 8.691 1.00 0.00 O ATOM 988 OE2 GLU A 70 15.100 13.949 7.805 1.00 0.00 O ATOM 0 H GLU A 70 13.514 9.338 8.305 1.00 0.00 H new ATOM 0 HA GLU A 70 14.506 10.229 5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 70 14.585 11.102 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.108 10.244 8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 70 16.938 11.681 6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 70 15.337 12.202 6.020 1.00 0.00 H new ATOM 995 N ASN A 71 16.865 8.771 6.023 1.00 0.00 N ATOM 996 CA ASN A 71 17.844 7.793 5.539 1.00 0.00 C ATOM 997 C ASN A 71 19.113 7.873 6.395 1.00 0.00 C ATOM 998 O ASN A 71 19.261 8.828 7.150 1.00 0.00 O ATOM 999 CB ASN A 71 18.119 8.019 4.036 1.00 0.00 C ATOM 1000 CG ASN A 71 18.652 9.403 3.684 1.00 0.00 C ATOM 1001 OD1 ASN A 71 19.320 10.063 4.469 1.00 0.00 O ATOM 1002 ND2 ASN A 71 18.318 9.889 2.499 1.00 0.00 N ATOM 0 H ASN A 71 17.266 9.705 6.108 1.00 0.00 H new ATOM 0 HA ASN A 71 17.449 6.782 5.638 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.836 7.272 3.696 1.00 0.00 H new ATOM 0 HB3 ASN A 71 17.195 7.849 3.483 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.618 10.826 2.229 1.00 0.00 H new ATOM 0 HD22 ASN A 71 17.761 9.327 1.856 1.00 0.00 H new ATOM 1009 N PRO A 72 20.017 6.879 6.328 1.00 0.00 N ATOM 1010 CA PRO A 72 21.278 6.895 7.073 1.00 0.00 C ATOM 1011 C PRO A 72 22.457 7.464 6.260 1.00 0.00 C ATOM 1012 O PRO A 72 23.543 7.659 6.810 1.00 0.00 O ATOM 1013 CB PRO A 72 21.523 5.416 7.393 1.00 0.00 C ATOM 1014 CG PRO A 72 21.005 4.716 6.132 1.00 0.00 C ATOM 1015 CD PRO A 72 19.814 5.572 5.712 1.00 0.00 C ATOM 0 HA PRO A 72 21.210 7.538 7.950 1.00 0.00 H new ATOM 0 HB2 PRO A 72 22.578 5.208 7.569 1.00 0.00 H new ATOM 0 HB3 PRO A 72 20.983 5.098 8.285 1.00 0.00 H new ATOM 0 HG2 PRO A 72 21.766 4.678 5.353 1.00 0.00 H new ATOM 0 HG3 PRO A 72 20.707 3.688 6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 72 19.759 5.657 4.627 1.00 0.00 H new ATOM 0 HD3 PRO A 72 18.877 5.126 6.045 1.00 0.00 H new ATOM 1023 N ALA A 73 22.280 7.676 4.950 1.00 0.00 N ATOM 1024 CA ALA A 73 23.340 8.031 4.016 1.00 0.00 C ATOM 1025 C ALA A 73 22.912 9.252 3.218 1.00 0.00 C ATOM 1026 O ALA A 73 21.773 9.322 2.751 1.00 0.00 O ATOM 1027 CB ALA A 73 23.614 6.858 3.072 1.00 0.00 C ATOM 0 H ALA A 73 21.366 7.601 4.504 1.00 0.00 H new ATOM 0 HA ALA A 73 24.253 8.259 4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.408 7.129 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 73 23.922 5.988 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 73 22.708 6.620 2.515 1.00 0.00 H new ATOM 1033 N LYS A 74 23.837 10.186 2.976 1.00 0.00 N ATOM 1034 CA LYS A 74 23.511 11.556 2.598 1.00 0.00 C ATOM 1035 C LYS A 74 23.280 11.710 1.107 1.00 0.00 C ATOM 1036 O LYS A 74 23.275 12.820 0.573 1.00 0.00 O ATOM 1037 CB LYS A 74 24.523 12.554 3.180 1.00 0.00 C ATOM 1038 CG LYS A 74 25.934 12.419 2.587 1.00 0.00 C ATOM 1039 CD LYS A 74 26.270 13.627 1.707 1.00 0.00 C ATOM 1040 CE LYS A 74 27.749 13.675 1.330 1.00 0.00 C ATOM 1041 NZ LYS A 74 28.008 14.833 0.450 1.00 0.00 N ATOM 0 H LYS A 74 24.839 10.007 3.039 1.00 0.00 H new ATOM 0 HA LYS A 74 22.551 11.803 3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.161 13.568 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.577 12.415 4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.665 12.334 3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 74 26.000 11.504 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 74 25.667 13.592 0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 74 26.001 14.543 2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 74 28.360 13.747 2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 74 28.034 12.752 0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 29.017 14.859 0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 27.437 14.746 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 27.753 15.710 0.947 1.00 0.00 H new ATOM 1055 N GLU A 75 23.155 10.586 0.409 1.00 0.00 N ATOM 1056 CA GLU A 75 22.730 10.632 -0.965 1.00 0.00 C ATOM 1057 C GLU A 75 21.255 11.027 -0.973 1.00 0.00 C ATOM 1058 O GLU A 75 20.528 10.814 0.006 1.00 0.00 O ATOM 1059 CB GLU A 75 22.980 9.288 -1.672 1.00 0.00 C ATOM 1060 CG GLU A 75 24.449 9.141 -2.101 1.00 0.00 C ATOM 1061 CD GLU A 75 24.613 8.803 -3.589 1.00 0.00 C ATOM 1062 OE1 GLU A 75 24.513 7.608 -3.962 1.00 0.00 O ATOM 1063 OE2 GLU A 75 24.870 9.740 -4.387 1.00 0.00 O ATOM 0 H GLU A 75 23.341 9.652 0.774 1.00 0.00 H new ATOM 0 HA GLU A 75 23.309 11.368 -1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 75 22.711 8.469 -1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 75 22.335 9.211 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 75 24.978 10.069 -1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 75 24.919 8.360 -1.504 1.00 0.00 H new ATOM 1070 N ARG A 76 20.792 11.552 -2.100 1.00 0.00 N ATOM 1071 CA ARG A 76 19.364 11.755 -2.315 1.00 0.00 C ATOM 1072 C ARG A 76 18.709 10.376 -2.422 1.00 0.00 C ATOM 1073 O ARG A 76 19.391 9.376 -2.698 1.00 0.00 O ATOM 1074 CB ARG A 76 19.177 12.607 -3.584 1.00 0.00 C ATOM 1075 CG ARG A 76 17.832 13.345 -3.670 1.00 0.00 C ATOM 1076 CD ARG A 76 17.633 13.958 -5.061 1.00 0.00 C ATOM 1077 NE ARG A 76 17.320 12.911 -6.044 1.00 0.00 N ATOM 1078 CZ ARG A 76 17.652 12.842 -7.333 1.00 0.00 C ATOM 1079 NH1 ARG A 76 18.323 13.809 -7.950 1.00 0.00 N ATOM 1080 NH2 ARG A 76 17.304 11.755 -8.002 1.00 0.00 N ATOM 0 H ARG A 76 21.383 11.845 -2.878 1.00 0.00 H new ATOM 0 HA ARG A 76 18.891 12.291 -1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 76 19.982 13.340 -3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 76 19.278 11.962 -4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.018 12.653 -3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 76 17.794 14.129 -2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.826 14.690 -5.030 1.00 0.00 H new ATOM 0 HD3 ARG A 76 18.535 14.491 -5.363 1.00 0.00 H new ATOM 0 HE ARG A 76 16.772 12.127 -5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.604 14.644 -7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.557 13.717 -8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.799 11.005 -7.530 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.541 11.667 -8.990 1.00 0.00 H new ATOM 1094 N ARG A 77 17.399 10.294 -2.199 1.00 0.00 N ATOM 1095 CA ARG A 77 16.657 9.048 -2.323 1.00 0.00 C ATOM 1096 C ARG A 77 15.394 9.286 -3.130 1.00 0.00 C ATOM 1097 O ARG A 77 14.783 10.354 -3.025 1.00 0.00 O ATOM 1098 CB ARG A 77 16.373 8.475 -0.921 1.00 0.00 C ATOM 1099 CG ARG A 77 16.129 6.959 -0.935 1.00 0.00 C ATOM 1100 CD ARG A 77 17.427 6.193 -1.199 1.00 0.00 C ATOM 1101 NE ARG A 77 17.183 4.777 -1.471 1.00 0.00 N ATOM 1102 CZ ARG A 77 18.094 3.902 -1.905 1.00 0.00 C ATOM 1103 NH1 ARG A 77 19.364 4.258 -2.072 1.00 0.00 N ATOM 1104 NH2 ARG A 77 17.747 2.653 -2.181 1.00 0.00 N ATOM 0 H ARG A 77 16.825 11.092 -1.927 1.00 0.00 H new ATOM 0 HA ARG A 77 17.245 8.304 -2.861 1.00 0.00 H new ATOM 0 HB2 ARG A 77 17.215 8.697 -0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 77 15.501 8.975 -0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 77 15.707 6.647 0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.396 6.713 -1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.946 6.641 -2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.086 6.288 -0.336 1.00 0.00 H new ATOM 0 HE ARG A 77 16.237 4.428 -1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.657 5.213 -1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.045 3.576 -2.404 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.779 2.355 -2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.448 1.990 -2.512 1.00 0.00 H new ATOM 1118 N THR A 78 14.993 8.296 -3.922 1.00 0.00 N ATOM 1119 CA THR A 78 13.770 8.293 -4.712 1.00 0.00 C ATOM 1120 C THR A 78 12.900 7.122 -4.216 1.00 0.00 C ATOM 1121 O THR A 78 12.879 6.040 -4.814 1.00 0.00 O ATOM 1122 CB THR A 78 14.097 8.189 -6.220 1.00 0.00 C ATOM 1123 OG1 THR A 78 15.157 9.036 -6.638 1.00 0.00 O ATOM 1124 CG2 THR A 78 12.869 8.500 -7.073 1.00 0.00 C ATOM 0 H THR A 78 15.535 7.439 -4.034 1.00 0.00 H new ATOM 0 HA THR A 78 13.220 9.226 -4.587 1.00 0.00 H new ATOM 0 HB THR A 78 14.417 7.157 -6.365 1.00 0.00 H new ATOM 0 HG1 THR A 78 15.311 8.918 -7.599 1.00 0.00 H new ATOM 0 HG21 THR A 78 13.129 8.419 -8.128 1.00 0.00 H new ATOM 0 HG22 THR A 78 12.075 7.791 -6.840 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.525 9.512 -6.861 1.00 0.00 H new ATOM 1132 N GLY A 79 12.236 7.309 -3.076 1.00 0.00 N ATOM 1133 CA GLY A 79 11.406 6.273 -2.458 1.00 0.00 C ATOM 1134 C GLY A 79 10.144 6.093 -3.276 1.00 0.00 C ATOM 1135 O GLY A 79 9.542 7.104 -3.645 1.00 0.00 O ATOM 0 H GLY A 79 12.258 8.185 -2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.956 5.333 -2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.154 6.554 -1.435 1.00 0.00 H new ATOM 1139 N LEU A 80 9.767 4.848 -3.592 1.00 0.00 N ATOM 1140 CA LEU A 80 8.755 4.595 -4.611 1.00 0.00 C ATOM 1141 C LEU A 80 7.956 3.325 -4.331 1.00 0.00 C ATOM 1142 O LEU A 80 8.078 2.312 -5.028 1.00 0.00 O ATOM 1143 CB LEU A 80 9.417 4.542 -5.987 1.00 0.00 C ATOM 1144 CG LEU A 80 8.397 4.823 -7.105 1.00 0.00 C ATOM 1145 CD1 LEU A 80 8.014 6.303 -7.215 1.00 0.00 C ATOM 1146 CD2 LEU A 80 9.029 4.396 -8.423 1.00 0.00 C ATOM 0 H LEU A 80 10.148 4.008 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 80 8.039 5.417 -4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.223 5.274 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.867 3.561 -6.140 1.00 0.00 H new ATOM 0 HG LEU A 80 7.487 4.270 -6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.292 6.433 -8.021 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.572 6.635 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.905 6.895 -7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.330 4.582 -9.239 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.942 4.967 -8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.267 3.333 -8.385 1.00 0.00 H new ATOM 1158 N VAL A 81 7.115 3.375 -3.308 1.00 0.00 N ATOM 1159 CA VAL A 81 6.232 2.263 -2.995 1.00 0.00 C ATOM 1160 C VAL A 81 5.072 2.205 -3.997 1.00 0.00 C ATOM 1161 O VAL A 81 4.812 3.159 -4.738 1.00 0.00 O ATOM 1162 CB VAL A 81 5.829 2.367 -1.502 1.00 0.00 C ATOM 1163 CG1 VAL A 81 4.631 1.551 -1.028 1.00 0.00 C ATOM 1164 CG2 VAL A 81 7.024 1.895 -0.663 1.00 0.00 C ATOM 0 H VAL A 81 7.026 4.175 -2.681 1.00 0.00 H new ATOM 0 HA VAL A 81 6.728 1.299 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 81 5.539 3.411 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.470 1.725 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.743 1.852 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.823 0.491 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.772 1.956 0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.264 0.863 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.886 2.530 -0.868 1.00 0.00 H new ATOM 1174 N THR A 82 4.373 1.068 -4.043 1.00 0.00 N ATOM 1175 CA THR A 82 3.104 0.913 -4.741 1.00 0.00 C ATOM 1176 C THR A 82 2.006 0.703 -3.709 1.00 0.00 C ATOM 1177 O THR A 82 2.251 0.259 -2.584 1.00 0.00 O ATOM 1178 CB THR A 82 3.106 -0.289 -5.699 1.00 0.00 C ATOM 1179 OG1 THR A 82 4.383 -0.505 -6.276 1.00 0.00 O ATOM 1180 CG2 THR A 82 2.048 -0.119 -6.804 1.00 0.00 C ATOM 0 H THR A 82 4.685 0.212 -3.584 1.00 0.00 H new ATOM 0 HA THR A 82 2.937 1.813 -5.332 1.00 0.00 H new ATOM 0 HB THR A 82 2.855 -1.167 -5.104 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.344 -1.278 -6.877 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.072 -0.984 -7.467 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.060 -0.036 -6.352 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.262 0.783 -7.377 1.00 0.00 H new ATOM 1188 N LEU A 83 0.785 0.998 -4.130 1.00 0.00 N ATOM 1189 CA LEU A 83 -0.424 1.015 -3.348 1.00 0.00 C ATOM 1190 C LEU A 83 -1.521 0.367 -4.191 1.00 0.00 C ATOM 1191 O LEU A 83 -1.487 0.509 -5.416 1.00 0.00 O ATOM 1192 CB LEU A 83 -0.691 2.501 -3.047 1.00 0.00 C ATOM 1193 CG LEU A 83 0.251 3.044 -1.960 1.00 0.00 C ATOM 1194 CD1 LEU A 83 1.264 4.051 -2.499 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -0.527 3.642 -0.791 1.00 0.00 C ATOM 0 H LEU A 83 0.610 1.250 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.370 0.463 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.567 3.084 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.725 2.626 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 83 0.816 2.185 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.900 4.398 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.879 3.575 -3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.737 4.900 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.171 4.016 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.148 4.463 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.161 2.875 -0.345 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.475 -0.348 -3.579 1.00 0.00 N ATOM 1208 CA LYS A 84 -3.658 -0.914 -4.237 1.00 0.00 C ATOM 1209 C LYS A 84 -4.733 -1.134 -3.162 1.00 0.00 C ATOM 1210 O LYS A 84 -4.414 -0.958 -1.985 1.00 0.00 O ATOM 1211 CB LYS A 84 -3.266 -2.211 -4.971 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.338 -2.627 -5.984 1.00 0.00 C ATOM 1213 CD LYS A 84 -3.827 -3.576 -7.074 1.00 0.00 C ATOM 1214 CE LYS A 84 -5.064 -4.083 -7.822 1.00 0.00 C ATOM 1215 NZ LYS A 84 -4.754 -4.852 -9.040 1.00 0.00 N ATOM 0 H LYS A 84 -2.442 -0.554 -2.581 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.064 -0.241 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.315 -2.067 -5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.119 -3.011 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.159 -3.108 -5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.745 -1.733 -6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.148 -3.059 -7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.271 -4.405 -6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.652 -4.708 -7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.688 -3.231 -8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.639 -5.161 -9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.219 -4.254 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.184 -5.685 -8.789 1.00 0.00 H new ATOM 1229 N GLN A 85 -5.985 -1.428 -3.528 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.114 -1.461 -2.595 1.00 0.00 C ATOM 1231 C GLN A 85 -7.737 -2.857 -2.553 1.00 0.00 C ATOM 1232 O GLN A 85 -7.506 -3.668 -3.447 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.104 -0.362 -3.023 1.00 0.00 C ATOM 1234 CG GLN A 85 -9.276 -0.054 -2.082 1.00 0.00 C ATOM 1235 CD GLN A 85 -9.586 1.442 -2.054 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -9.100 2.146 -1.184 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -10.371 1.965 -2.988 1.00 0.00 N ATOM 0 H GLN A 85 -6.244 -1.652 -4.489 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.792 -1.258 -1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.540 0.559 -3.169 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.516 -0.641 -3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.159 -0.605 -2.405 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.037 -0.397 -1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.772 1.367 -3.711 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.573 2.965 -2.983 1.00 0.00 H new ATOM 1246 N ASP A 86 -8.557 -3.111 -1.531 1.00 0.00 N ATOM 1247 CA ASP A 86 -9.298 -4.354 -1.294 1.00 0.00 C ATOM 1248 C ASP A 86 -9.969 -4.867 -2.566 1.00 0.00 C ATOM 1249 O ASP A 86 -9.751 -5.993 -3.010 1.00 0.00 O ATOM 1250 CB ASP A 86 -10.381 -4.077 -0.236 1.00 0.00 C ATOM 1251 CG ASP A 86 -11.255 -5.285 0.086 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -10.788 -6.437 0.014 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -12.409 -5.061 0.521 1.00 0.00 O ATOM 0 H ASP A 86 -8.732 -2.416 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.596 -5.116 -0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.900 -3.734 0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.017 -3.264 -0.586 1.00 0.00 H new ATOM 1258 N GLU A 87 -10.783 -3.994 -3.154 1.00 0.00 N ATOM 1259 CA GLU A 87 -11.713 -4.283 -4.241 1.00 0.00 C ATOM 1260 C GLU A 87 -11.495 -3.332 -5.422 1.00 0.00 C ATOM 1261 O GLU A 87 -12.206 -3.389 -6.422 1.00 0.00 O ATOM 1262 CB GLU A 87 -13.125 -4.098 -3.672 1.00 0.00 C ATOM 1263 CG GLU A 87 -13.561 -5.265 -2.798 1.00 0.00 C ATOM 1264 CD GLU A 87 -14.340 -6.236 -3.677 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -13.703 -6.963 -4.474 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -15.587 -6.127 -3.716 1.00 0.00 O ATOM 0 H GLU A 87 -10.813 -3.015 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.561 -5.296 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.160 -3.178 -3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.831 -3.980 -4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.694 -5.758 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.181 -4.914 -1.973 1.00 0.00 H new ATOM 1273 N SER A 88 -10.555 -2.400 -5.272 1.00 0.00 N ATOM 1274 CA SER A 88 -10.181 -1.394 -6.265 1.00 0.00 C ATOM 1275 C SER A 88 -8.687 -1.461 -6.574 1.00 0.00 C ATOM 1276 O SER A 88 -7.954 -2.293 -6.040 1.00 0.00 O ATOM 1277 CB SER A 88 -10.607 0.026 -5.852 1.00 0.00 C ATOM 1278 OG SER A 88 -11.494 0.000 -4.759 1.00 0.00 O ATOM 0 H SER A 88 -10.008 -2.322 -4.415 1.00 0.00 H new ATOM 0 HA SER A 88 -10.728 -1.628 -7.179 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.725 0.611 -5.592 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.083 0.525 -6.696 1.00 0.00 H new ATOM 0 HG SER A 88 -12.298 -0.505 -5.002 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.230 -0.558 -7.438 1.00 0.00 N ATOM 1285 CA GLY A 89 -7.094 -0.913 -8.282 1.00 0.00 C ATOM 1286 C GLY A 89 -6.370 0.251 -8.924 1.00 0.00 C ATOM 1287 O GLY A 89 -5.509 0.031 -9.768 1.00 0.00 O ATOM 0 H GLY A 89 -8.607 0.381 -7.570 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.380 -1.476 -7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.444 -1.580 -9.070 1.00 0.00 H new ATOM 1291 N LYS A 90 -6.697 1.486 -8.546 1.00 0.00 N ATOM 1292 CA LYS A 90 -6.007 2.678 -9.004 1.00 0.00 C ATOM 1293 C LYS A 90 -4.715 2.760 -8.197 1.00 0.00 C ATOM 1294 O LYS A 90 -4.758 3.113 -7.014 1.00 0.00 O ATOM 1295 CB LYS A 90 -6.918 3.897 -8.841 1.00 0.00 C ATOM 1296 CG LYS A 90 -8.088 3.920 -9.846 1.00 0.00 C ATOM 1297 CD LYS A 90 -9.141 2.797 -9.738 1.00 0.00 C ATOM 1298 CE LYS A 90 -10.387 3.098 -10.587 1.00 0.00 C ATOM 1299 NZ LYS A 90 -11.523 2.212 -10.245 1.00 0.00 N ATOM 0 H LYS A 90 -7.463 1.683 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.758 2.646 -10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.318 3.911 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.326 4.804 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.603 4.875 -9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.668 3.892 -10.852 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.701 1.854 -10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.433 2.672 -8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.682 4.137 -10.441 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.142 2.981 -11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.341 2.450 -10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.252 1.221 -10.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.775 2.341 -9.244 1.00 0.00 H new ATOM 1313 N THR A 91 -3.616 2.283 -8.773 1.00 0.00 N ATOM 1314 CA THR A 91 -2.391 2.056 -8.026 1.00 0.00 C ATOM 1315 C THR A 91 -1.695 3.401 -7.836 1.00 0.00 C ATOM 1316 O THR A 91 -1.282 4.022 -8.820 1.00 0.00 O ATOM 1317 CB THR A 91 -1.518 0.982 -8.710 1.00 0.00 C ATOM 1318 OG1 THR A 91 -1.379 1.208 -10.100 1.00 0.00 O ATOM 1319 CG2 THR A 91 -2.115 -0.424 -8.580 1.00 0.00 C ATOM 0 H THR A 91 -3.553 2.046 -9.763 1.00 0.00 H new ATOM 0 HA THR A 91 -2.603 1.650 -7.037 1.00 0.00 H new ATOM 0 HB THR A 91 -0.557 1.051 -8.200 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.278 2.168 -10.267 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.464 -1.143 -9.077 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.205 -0.685 -7.526 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.101 -0.445 -9.045 1.00 0.00 H new ATOM 1327 N LEU A 92 -1.583 3.889 -6.597 1.00 0.00 N ATOM 1328 CA LEU A 92 -0.981 5.205 -6.380 1.00 0.00 C ATOM 1329 C LEU A 92 0.528 5.044 -6.482 1.00 0.00 C ATOM 1330 O LEU A 92 1.111 4.156 -5.852 1.00 0.00 O ATOM 1331 CB LEU A 92 -1.363 5.874 -5.045 1.00 0.00 C ATOM 1332 CG LEU A 92 -2.860 6.146 -4.802 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -2.996 6.929 -3.492 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -3.535 6.927 -5.937 1.00 0.00 C ATOM 0 H LEU A 92 -1.892 3.408 -5.752 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.372 5.876 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.997 5.245 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.831 6.823 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.366 5.182 -4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.049 7.134 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.584 6.341 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.452 7.870 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.587 7.081 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.044 7.893 -6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.454 6.362 -6.866 1.00 0.00 H new ATOM 1346 N SER A 93 1.156 5.899 -7.282 1.00 0.00 N ATOM 1347 CA SER A 93 2.595 6.092 -7.263 1.00 0.00 C ATOM 1348 C SER A 93 2.897 7.082 -6.138 1.00 0.00 C ATOM 1349 O SER A 93 2.301 8.164 -6.121 1.00 0.00 O ATOM 1350 CB SER A 93 3.042 6.627 -8.625 1.00 0.00 C ATOM 1351 OG SER A 93 2.594 5.757 -9.658 1.00 0.00 O ATOM 0 H SER A 93 0.673 6.481 -7.967 1.00 0.00 H new ATOM 0 HA SER A 93 3.134 5.162 -7.083 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.641 7.628 -8.782 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.128 6.711 -8.654 1.00 0.00 H new ATOM 0 HG SER A 93 2.882 6.106 -10.527 1.00 0.00 H new ATOM 1357 N LEU A 94 3.777 6.724 -5.202 1.00 0.00 N ATOM 1358 CA LEU A 94 4.145 7.509 -4.023 1.00 0.00 C ATOM 1359 C LEU A 94 5.635 7.792 -4.140 1.00 0.00 C ATOM 1360 O LEU A 94 6.427 6.875 -3.946 1.00 0.00 O ATOM 1361 CB LEU A 94 3.809 6.683 -2.765 1.00 0.00 C ATOM 1362 CG LEU A 94 3.877 7.390 -1.389 1.00 0.00 C ATOM 1363 CD1 LEU A 94 4.039 6.294 -0.332 1.00 0.00 C ATOM 1364 CD2 LEU A 94 4.976 8.450 -1.227 1.00 0.00 C ATOM 0 H LEU A 94 4.277 5.836 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 94 3.602 8.452 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.801 6.286 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.487 5.830 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 94 2.955 7.961 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.092 6.748 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.186 5.617 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.955 5.736 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.926 8.876 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.952 7.988 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.831 9.240 -1.964 1.00 0.00 H new ATOM 1376 N LYS A 95 6.011 9.018 -4.510 1.00 0.00 N ATOM 1377 CA LYS A 95 7.366 9.367 -4.930 1.00 0.00 C ATOM 1378 C LYS A 95 7.938 10.427 -3.998 1.00 0.00 C ATOM 1379 O LYS A 95 7.696 11.610 -4.210 1.00 0.00 O ATOM 1380 CB LYS A 95 7.295 9.787 -6.411 1.00 0.00 C ATOM 1381 CG LYS A 95 8.654 10.179 -7.007 1.00 0.00 C ATOM 1382 CD LYS A 95 8.581 10.665 -8.455 1.00 0.00 C ATOM 1383 CE LYS A 95 8.307 9.484 -9.386 1.00 0.00 C ATOM 1384 NZ LYS A 95 8.013 9.910 -10.767 1.00 0.00 N ATOM 0 H LYS A 95 5.368 9.810 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 95 8.055 8.526 -4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.876 8.966 -6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.609 10.629 -6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.096 10.964 -6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.323 9.320 -6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.793 11.411 -8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.517 11.149 -8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.172 8.821 -9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.466 8.909 -9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.835 9.073 -11.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.172 10.522 -10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.825 10.436 -11.148 1.00 0.00 H new ATOM 1398 N ILE A 96 8.694 10.046 -2.971 1.00 0.00 N ATOM 1399 CA ILE A 96 9.282 11.006 -2.028 1.00 0.00 C ATOM 1400 C ILE A 96 10.686 11.312 -2.523 1.00 0.00 C ATOM 1401 O ILE A 96 11.514 10.397 -2.609 1.00 0.00 O ATOM 1402 CB ILE A 96 9.324 10.457 -0.594 1.00 0.00 C ATOM 1403 CG1 ILE A 96 7.938 10.006 -0.101 1.00 0.00 C ATOM 1404 CG2 ILE A 96 9.886 11.512 0.378 1.00 0.00 C ATOM 1405 CD1 ILE A 96 8.013 8.569 0.413 1.00 0.00 C ATOM 0 H ILE A 96 8.918 9.072 -2.766 1.00 0.00 H new ATOM 0 HA ILE A 96 8.669 11.907 -1.990 1.00 0.00 H new ATOM 0 HB ILE A 96 9.979 9.586 -0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.591 10.668 0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.213 10.074 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 96 9.907 11.102 1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.897 11.783 0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.252 12.398 0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.029 8.255 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.340 7.911 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.724 8.514 1.238 1.00 0.00 H new ATOM 1417 N VAL A 97 10.945 12.550 -2.932 1.00 0.00 N ATOM 1418 CA VAL A 97 12.245 12.977 -3.433 1.00 0.00 C ATOM 1419 C VAL A 97 12.879 13.786 -2.303 1.00 0.00 C ATOM 1420 O VAL A 97 12.465 14.926 -2.099 1.00 0.00 O ATOM 1421 CB VAL A 97 12.018 13.769 -4.739 1.00 0.00 C ATOM 1422 CG1 VAL A 97 13.271 14.450 -5.309 1.00 0.00 C ATOM 1423 CG2 VAL A 97 11.435 12.861 -5.837 1.00 0.00 C ATOM 0 H VAL A 97 10.248 13.294 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 97 12.923 12.163 -3.691 1.00 0.00 H new ATOM 0 HB VAL A 97 11.320 14.556 -4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.012 14.981 -6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.665 15.157 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.027 13.696 -5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.284 13.442 -6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.127 12.044 -6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.480 12.454 -5.504 1.00 0.00 H new ATOM 1433 N GLN A 98 13.810 13.192 -1.543 1.00 0.00 N ATOM 1434 CA GLN A 98 14.432 13.876 -0.413 1.00 0.00 C ATOM 1435 C GLN A 98 15.963 13.714 -0.422 1.00 0.00 C ATOM 1436 O GLN A 98 16.457 12.739 -1.003 1.00 0.00 O ATOM 1437 CB GLN A 98 13.751 13.425 0.894 1.00 0.00 C ATOM 1438 CG GLN A 98 14.191 12.107 1.550 1.00 0.00 C ATOM 1439 CD GLN A 98 14.475 12.320 3.040 1.00 0.00 C ATOM 1440 OE1 GLN A 98 13.636 12.775 3.806 1.00 0.00 O ATOM 1441 NE2 GLN A 98 15.694 12.078 3.474 1.00 0.00 N ATOM 0 H GLN A 98 14.145 12.241 -1.694 1.00 0.00 H new ATOM 0 HA GLN A 98 14.275 14.951 -0.498 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.889 14.219 1.628 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.681 13.354 0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.413 11.354 1.426 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.084 11.727 1.054 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.396 11.699 2.838 1.00 0.00 H new ATOM 0 HE22 GLN A 98 15.937 12.270 4.446 1.00 0.00 H new ATOM 1450 N PRO A 99 16.715 14.628 0.227 1.00 0.00 N ATOM 1451 CA PRO A 99 18.161 14.564 0.459 1.00 0.00 C ATOM 1452 C PRO A 99 18.499 13.482 1.482 1.00 0.00 C ATOM 1453 O PRO A 99 17.731 12.540 1.679 1.00 0.00 O ATOM 1454 CB PRO A 99 18.558 15.975 0.904 1.00 0.00 C ATOM 1455 CG PRO A 99 17.347 16.396 1.718 1.00 0.00 C ATOM 1456 CD PRO A 99 16.210 15.848 0.859 1.00 0.00 C ATOM 0 HA PRO A 99 18.722 14.280 -0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.471 15.974 1.500 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.731 16.638 0.056 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.353 15.963 2.718 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.288 17.478 1.839 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.332 15.634 1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.906 16.577 0.107 1.00 0.00 H new ATOM 1464 N GLY A 100 19.699 13.512 2.059 1.00 0.00 N ATOM 1465 CA GLY A 100 20.024 12.594 3.127 1.00 0.00 C ATOM 1466 C GLY A 100 20.936 13.190 4.190 1.00 0.00 C ATOM 1467 O GLY A 100 21.569 14.227 3.965 1.00 0.00 O ATOM 0 H GLY A 100 20.447 14.156 1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 100 19.101 12.259 3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.503 11.712 2.703 1.00 0.00 H new ATOM 1471 N LYS A 101 21.053 12.461 5.301 1.00 0.00 N ATOM 1472 CA LYS A 101 21.934 12.748 6.435 1.00 0.00 C ATOM 1473 C LYS A 101 23.052 11.708 6.510 1.00 0.00 C ATOM 1474 O LYS A 101 23.025 10.715 5.788 1.00 0.00 O ATOM 1475 CB LYS A 101 21.119 12.776 7.744 1.00 0.00 C ATOM 1476 CG LYS A 101 20.353 11.471 8.027 1.00 0.00 C ATOM 1477 CD LYS A 101 19.897 11.393 9.489 1.00 0.00 C ATOM 1478 CE LYS A 101 18.614 10.581 9.680 1.00 0.00 C ATOM 1479 NZ LYS A 101 17.997 10.824 11.005 1.00 0.00 N ATOM 0 H LYS A 101 20.508 11.610 5.442 1.00 0.00 H new ATOM 0 HA LYS A 101 22.389 13.728 6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 101 21.793 12.979 8.576 1.00 0.00 H new ATOM 0 HB3 LYS A 101 20.408 13.601 7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 101 19.485 11.407 7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 101 20.990 10.617 7.797 1.00 0.00 H new ATOM 0 HD2 LYS A 101 20.692 10.949 10.087 1.00 0.00 H new ATOM 0 HD3 LYS A 101 19.739 12.403 9.868 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.902 10.838 8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.837 9.519 9.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 17.131 10.255 11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 18.666 10.555 11.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 17.760 11.832 11.098 1.00 0.00 H new