USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 683 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 7 LYS NZ :NH3+ -143:sc= 2.19 (180deg=-0.157) USER MOD Set 1.2: A 77 SER OG : rot -145:sc= 1.12 USER MOD Set 2.1: A 42 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 43 MET CE :methyl 160:sc= -0.0484 (180deg=-0.881) USER MOD Single : A 9 LYS NZ :NH3+ -153:sc= 1 (180deg=0.549) USER MOD Single : A 13 TYR OH : rot 130:sc=-0.00507 USER MOD Single : A 15 MET CE :methyl -167:sc= 0 (180deg=-0.093) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 0.032 (180deg=-0.0937) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 32 THR OG1 : rot -173:sc= -0.293 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.0728 K(o=-0.073,f=-12!) USER MOD Single : A 47 LYS NZ :NH3+ -129:sc= 0.214 (180deg=-0.833) USER MOD Single : A 49 MET CE :methyl -139:sc= -0.278 (180deg=-1.79) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -107:sc= -0.347 (180deg=-3.44!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.72 X(o=-0.72,f=-0.23) USER MOD Single : A 66 THR OG1 : rot 170:sc= -0.572 USER MOD Single : A 68 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.058) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -150:sc= -1.42 (180deg=-1.6!) USER MOD Single : A 74 ASN : amide:sc= -0.0553 K(o=-0.055,f=-1.2) USER MOD Single : A 79 THR OG1 : rot -100:sc= 0.889 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 84 LYS NZ :NH3+ -127:sc= -0.0118 (180deg=-0.93) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -1.445 12.026 -2.487 1.00 2.34 N ATOM 40 CA GLU A 4 -2.046 11.500 -3.741 1.00 70.51 C ATOM 41 C GLU A 4 -1.005 11.258 -4.842 1.00 75.33 C ATOM 42 O GLU A 4 -0.957 10.165 -5.424 1.00 31.22 O ATOM 43 CB GLU A 4 -3.163 12.450 -4.221 1.00 65.45 C ATOM 44 CG GLU A 4 -4.411 12.492 -3.283 1.00 42.34 C ATOM 45 CD GLU A 4 -5.700 11.966 -3.951 1.00 2.04 C ATOM 46 OE1 GLU A 4 -6.316 12.710 -4.747 1.00 62.54 O ATOM 47 OE2 GLU A 4 -6.083 10.799 -3.710 1.00 22.03 O ATOM 0 HA GLU A 4 -2.477 10.524 -3.518 1.00 70.51 H new ATOM 0 HB2 GLU A 4 -2.755 13.457 -4.311 1.00 65.45 H new ATOM 0 HB3 GLU A 4 -3.481 12.145 -5.218 1.00 65.45 H new ATOM 0 HG2 GLU A 4 -4.206 11.900 -2.391 1.00 42.34 H new ATOM 0 HG3 GLU A 4 -4.574 13.518 -2.954 1.00 42.34 H new ATOM 54 N GLU A 5 -0.167 12.264 -5.101 1.00 1.32 N ATOM 55 CA GLU A 5 0.965 12.146 -6.054 1.00 34.13 C ATOM 56 C GLU A 5 2.030 11.132 -5.561 1.00 41.02 C ATOM 57 O GLU A 5 2.881 10.689 -6.345 1.00 20.22 O ATOM 58 CB GLU A 5 1.585 13.538 -6.370 1.00 61.05 C ATOM 59 CG GLU A 5 1.510 14.594 -5.241 1.00 54.32 C ATOM 60 CD GLU A 5 2.301 14.231 -3.981 1.00 64.13 C ATOM 61 OE1 GLU A 5 1.741 13.579 -3.076 1.00 53.14 O ATOM 62 OE2 GLU A 5 3.487 14.605 -3.885 1.00 64.05 O ATOM 0 H GLU A 5 -0.244 13.183 -4.665 1.00 1.32 H new ATOM 0 HA GLU A 5 0.567 11.751 -6.988 1.00 34.13 H new ATOM 0 HB2 GLU A 5 2.633 13.394 -6.635 1.00 61.05 H new ATOM 0 HB3 GLU A 5 1.086 13.943 -7.251 1.00 61.05 H new ATOM 0 HG2 GLU A 5 1.878 15.545 -5.625 1.00 54.32 H new ATOM 0 HG3 GLU A 5 0.465 14.743 -4.969 1.00 54.32 H new ATOM 69 N VAL A 6 1.992 10.803 -4.259 1.00 1.20 N ATOM 70 CA VAL A 6 2.821 9.745 -3.677 1.00 4.24 C ATOM 71 C VAL A 6 2.151 8.358 -3.824 1.00 54.32 C ATOM 72 O VAL A 6 2.839 7.361 -4.069 1.00 20.44 O ATOM 73 CB VAL A 6 3.148 10.038 -2.169 1.00 34.32 C ATOM 74 CG1 VAL A 6 3.861 8.855 -1.491 1.00 1.53 C ATOM 75 CG2 VAL A 6 3.986 11.326 -2.006 1.00 52.33 C ATOM 0 H VAL A 6 1.384 11.266 -3.584 1.00 1.20 H new ATOM 0 HA VAL A 6 3.759 9.730 -4.232 1.00 4.24 H new ATOM 0 HB VAL A 6 2.189 10.184 -1.671 1.00 34.32 H new ATOM 0 HG11 VAL A 6 4.067 9.103 -0.450 1.00 1.53 H new ATOM 0 HG12 VAL A 6 3.223 7.972 -1.534 1.00 1.53 H new ATOM 0 HG13 VAL A 6 4.799 8.651 -2.008 1.00 1.53 H new ATOM 0 HG21 VAL A 6 4.192 11.495 -0.949 1.00 52.33 H new ATOM 0 HG22 VAL A 6 4.927 11.219 -2.546 1.00 52.33 H new ATOM 0 HG23 VAL A 6 3.431 12.174 -2.408 1.00 52.33 H new ATOM 85 N LYS A 7 0.811 8.312 -3.686 1.00 41.35 N ATOM 86 CA LYS A 7 0.051 7.041 -3.683 1.00 3.44 C ATOM 87 C LYS A 7 0.127 6.330 -5.040 1.00 31.30 C ATOM 88 O LYS A 7 0.164 5.102 -5.108 1.00 31.52 O ATOM 89 CB LYS A 7 -1.421 7.253 -3.234 1.00 54.15 C ATOM 90 CG LYS A 7 -1.579 7.472 -1.708 1.00 21.10 C ATOM 91 CD LYS A 7 -3.031 7.756 -1.260 1.00 63.31 C ATOM 92 CE LYS A 7 -3.674 8.949 -1.970 1.00 63.13 C ATOM 93 NZ LYS A 7 -5.040 9.238 -1.465 1.00 51.22 N ATOM 0 H LYS A 7 0.229 9.142 -3.575 1.00 41.35 H new ATOM 0 HA LYS A 7 0.524 6.389 -2.949 1.00 3.44 H new ATOM 0 HB2 LYS A 7 -1.832 8.114 -3.761 1.00 54.15 H new ATOM 0 HB3 LYS A 7 -2.011 6.386 -3.531 1.00 54.15 H new ATOM 0 HG2 LYS A 7 -1.215 6.588 -1.185 1.00 21.10 H new ATOM 0 HG3 LYS A 7 -0.946 8.306 -1.404 1.00 21.10 H new ATOM 0 HD2 LYS A 7 -3.637 6.868 -1.440 1.00 63.31 H new ATOM 0 HD3 LYS A 7 -3.041 7.936 -0.185 1.00 63.31 H new ATOM 0 HE2 LYS A 7 -3.046 9.830 -1.836 1.00 63.13 H new ATOM 0 HE3 LYS A 7 -3.720 8.750 -3.041 1.00 63.13 H new ATOM 0 HZ1 LYS A 7 -5.646 9.539 -2.255 1.00 51.22 H new ATOM 0 HZ2 LYS A 7 -5.438 8.381 -1.031 1.00 51.22 H new ATOM 0 HZ3 LYS A 7 -4.994 9.996 -0.755 1.00 51.22 H new ATOM 107 N GLU A 8 0.169 7.114 -6.110 1.00 64.10 N ATOM 108 CA GLU A 8 0.372 6.582 -7.465 1.00 2.50 C ATOM 109 C GLU A 8 1.780 5.954 -7.620 1.00 2.20 C ATOM 110 O GLU A 8 1.936 4.954 -8.327 1.00 61.52 O ATOM 111 CB GLU A 8 0.148 7.696 -8.497 1.00 71.32 C ATOM 112 CG GLU A 8 1.009 8.948 -8.276 1.00 41.13 C ATOM 113 CD GLU A 8 0.728 10.064 -9.284 1.00 71.11 C ATOM 114 OE1 GLU A 8 -0.317 10.728 -9.170 1.00 35.34 O ATOM 115 OE2 GLU A 8 1.524 10.250 -10.227 1.00 53.12 O ATOM 0 H GLU A 8 0.065 8.128 -6.072 1.00 64.10 H new ATOM 0 HA GLU A 8 -0.355 5.788 -7.639 1.00 2.50 H new ATOM 0 HB2 GLU A 8 0.353 7.300 -9.492 1.00 71.32 H new ATOM 0 HB3 GLU A 8 -0.903 7.985 -8.479 1.00 71.32 H new ATOM 0 HG2 GLU A 8 0.835 9.326 -7.269 1.00 41.13 H new ATOM 0 HG3 GLU A 8 2.062 8.671 -8.336 1.00 41.13 H new ATOM 122 N LYS A 9 2.790 6.541 -6.936 1.00 62.52 N ATOM 123 CA LYS A 9 4.173 6.010 -6.938 1.00 45.34 C ATOM 124 C LYS A 9 4.231 4.643 -6.251 1.00 21.33 C ATOM 125 O LYS A 9 5.052 3.797 -6.615 1.00 34.15 O ATOM 126 CB LYS A 9 5.163 6.953 -6.221 1.00 64.45 C ATOM 127 CG LYS A 9 5.217 8.395 -6.734 1.00 74.15 C ATOM 128 CD LYS A 9 6.346 9.208 -6.049 1.00 60.43 C ATOM 129 CE LYS A 9 6.306 9.150 -4.504 1.00 33.41 C ATOM 130 NZ LYS A 9 7.440 9.885 -3.879 1.00 72.34 N ATOM 0 H LYS A 9 2.672 7.384 -6.375 1.00 62.52 H new ATOM 0 HA LYS A 9 4.464 5.923 -7.985 1.00 45.34 H new ATOM 0 HB2 LYS A 9 4.908 6.976 -5.162 1.00 64.45 H new ATOM 0 HB3 LYS A 9 6.162 6.524 -6.299 1.00 64.45 H new ATOM 0 HG2 LYS A 9 5.375 8.391 -7.813 1.00 74.15 H new ATOM 0 HG3 LYS A 9 4.258 8.881 -6.554 1.00 74.15 H new ATOM 0 HD2 LYS A 9 7.310 8.834 -6.393 1.00 60.43 H new ATOM 0 HD3 LYS A 9 6.276 10.248 -6.366 1.00 60.43 H new ATOM 0 HE2 LYS A 9 5.365 9.572 -4.152 1.00 33.41 H new ATOM 0 HE3 LYS A 9 6.329 8.109 -4.181 1.00 33.41 H new ATOM 0 HZ1 LYS A 9 7.651 9.472 -2.948 1.00 72.34 H new ATOM 0 HZ2 LYS A 9 8.279 9.812 -4.489 1.00 72.34 H new ATOM 0 HZ3 LYS A 9 7.183 10.886 -3.763 1.00 72.34 H new ATOM 144 N ILE A 10 3.356 4.455 -5.239 1.00 13.23 N ATOM 145 CA ILE A 10 3.259 3.184 -4.494 1.00 34.11 C ATOM 146 C ILE A 10 2.976 2.048 -5.486 1.00 72.32 C ATOM 147 O ILE A 10 3.654 1.033 -5.462 1.00 2.41 O ATOM 148 CB ILE A 10 2.140 3.201 -3.389 1.00 55.24 C ATOM 149 CG1 ILE A 10 2.195 4.480 -2.497 1.00 24.53 C ATOM 150 CG2 ILE A 10 2.205 1.934 -2.508 1.00 75.30 C ATOM 151 CD1 ILE A 10 3.484 4.718 -1.744 1.00 65.11 C ATOM 0 H ILE A 10 2.705 5.172 -4.919 1.00 13.23 H new ATOM 0 HA ILE A 10 4.209 3.034 -3.981 1.00 34.11 H new ATOM 0 HB ILE A 10 1.188 3.215 -3.919 1.00 55.24 H new ATOM 0 HG12 ILE A 10 2.004 5.347 -3.130 1.00 24.53 H new ATOM 0 HG13 ILE A 10 1.381 4.428 -1.774 1.00 24.53 H new ATOM 0 HG21 ILE A 10 1.419 1.975 -1.754 1.00 75.30 H new ATOM 0 HG22 ILE A 10 2.065 1.050 -3.131 1.00 75.30 H new ATOM 0 HG23 ILE A 10 3.177 1.882 -2.017 1.00 75.30 H new ATOM 0 HD11 ILE A 10 3.401 5.635 -1.161 1.00 65.11 H new ATOM 0 HD12 ILE A 10 3.675 3.879 -1.075 1.00 65.11 H new ATOM 0 HD13 ILE A 10 4.307 4.812 -2.452 1.00 65.11 H new ATOM 163 N ARG A 11 2.008 2.295 -6.399 1.00 53.42 N ATOM 164 CA ARG A 11 1.609 1.335 -7.459 1.00 22.54 C ATOM 165 C ARG A 11 2.793 0.920 -8.350 1.00 73.44 C ATOM 166 O ARG A 11 2.904 -0.251 -8.720 1.00 45.34 O ATOM 167 CB ARG A 11 0.469 1.916 -8.333 1.00 73.23 C ATOM 168 CG ARG A 11 -0.890 2.008 -7.631 1.00 70.21 C ATOM 169 CD ARG A 11 -1.998 2.526 -8.564 1.00 40.45 C ATOM 170 NE ARG A 11 -1.744 3.903 -9.041 1.00 73.31 N ATOM 171 CZ ARG A 11 -2.674 4.728 -9.552 1.00 53.12 C ATOM 172 NH1 ARG A 11 -3.933 4.337 -9.675 1.00 11.21 N ATOM 173 NH2 ARG A 11 -2.324 5.927 -9.994 1.00 34.52 N ATOM 0 H ARG A 11 1.480 3.167 -6.423 1.00 53.42 H new ATOM 0 HA ARG A 11 1.249 0.441 -6.949 1.00 22.54 H new ATOM 0 HB2 ARG A 11 0.758 2.912 -8.669 1.00 73.23 H new ATOM 0 HB3 ARG A 11 0.362 1.298 -9.224 1.00 73.23 H new ATOM 0 HG2 ARG A 11 -1.168 1.024 -7.253 1.00 70.21 H new ATOM 0 HG3 ARG A 11 -0.806 2.669 -6.769 1.00 70.21 H new ATOM 0 HD2 ARG A 11 -2.087 1.859 -9.422 1.00 40.45 H new ATOM 0 HD3 ARG A 11 -2.953 2.498 -8.039 1.00 40.45 H new ATOM 0 HE ARG A 11 -0.788 4.254 -8.977 1.00 73.31 H new ATOM 0 HH11 ARG A 11 -4.207 3.400 -9.380 1.00 11.21 H new ATOM 0 HH12 ARG A 11 -4.629 4.973 -10.064 1.00 11.21 H new ATOM 0 HH21 ARG A 11 -1.349 6.224 -9.946 1.00 34.52 H new ATOM 0 HH22 ARG A 11 -3.029 6.553 -10.382 1.00 34.52 H new ATOM 187 N ARG A 12 3.674 1.882 -8.668 1.00 2.24 N ATOM 188 CA ARG A 12 4.887 1.626 -9.481 1.00 32.25 C ATOM 189 C ARG A 12 5.802 0.640 -8.752 1.00 42.14 C ATOM 190 O ARG A 12 6.238 -0.363 -9.324 1.00 11.12 O ATOM 191 CB ARG A 12 5.633 2.958 -9.817 1.00 3.20 C ATOM 192 CG ARG A 12 5.113 3.680 -11.082 1.00 71.45 C ATOM 193 CD ARG A 12 3.598 3.908 -11.055 1.00 32.00 C ATOM 194 NE ARG A 12 3.097 4.617 -12.239 1.00 60.42 N ATOM 195 CZ ARG A 12 2.732 4.039 -13.393 1.00 13.33 C ATOM 196 NH1 ARG A 12 2.822 2.729 -13.566 1.00 33.33 N ATOM 197 NH2 ARG A 12 2.223 4.788 -14.350 1.00 2.12 N ATOM 0 H ARG A 12 3.573 2.854 -8.374 1.00 2.24 H new ATOM 0 HA ARG A 12 4.586 1.181 -10.429 1.00 32.25 H new ATOM 0 HB2 ARG A 12 5.546 3.634 -8.966 1.00 3.20 H new ATOM 0 HB3 ARG A 12 6.694 2.743 -9.946 1.00 3.20 H new ATOM 0 HG2 ARG A 12 5.619 4.641 -11.180 1.00 71.45 H new ATOM 0 HG3 ARG A 12 5.372 3.092 -11.963 1.00 71.45 H new ATOM 0 HD2 ARG A 12 3.094 2.945 -10.976 1.00 32.00 H new ATOM 0 HD3 ARG A 12 3.339 4.477 -10.162 1.00 32.00 H new ATOM 0 HE ARG A 12 3.020 5.632 -12.179 1.00 60.42 H new ATOM 0 HH11 ARG A 12 3.175 2.138 -12.813 1.00 33.33 H new ATOM 0 HH12 ARG A 12 2.539 2.311 -14.452 1.00 33.33 H new ATOM 0 HH21 ARG A 12 2.112 5.792 -14.207 1.00 2.12 H new ATOM 0 HH22 ARG A 12 1.940 4.364 -15.234 1.00 2.12 H new ATOM 211 N TYR A 13 6.024 0.924 -7.470 1.00 44.22 N ATOM 212 CA TYR A 13 6.811 0.064 -6.570 1.00 30.42 C ATOM 213 C TYR A 13 6.149 -1.328 -6.393 1.00 2.14 C ATOM 214 O TYR A 13 6.851 -2.343 -6.300 1.00 54.41 O ATOM 215 CB TYR A 13 6.997 0.773 -5.207 1.00 63.24 C ATOM 216 CG TYR A 13 7.745 -0.077 -4.163 1.00 21.21 C ATOM 217 CD1 TYR A 13 9.118 -0.307 -4.282 1.00 62.05 C ATOM 218 CD2 TYR A 13 7.077 -0.665 -3.086 1.00 44.41 C ATOM 219 CE1 TYR A 13 9.791 -1.086 -3.374 1.00 33.23 C ATOM 220 CE2 TYR A 13 7.756 -1.442 -2.171 1.00 72.23 C ATOM 221 CZ TYR A 13 9.110 -1.645 -2.322 1.00 40.24 C ATOM 222 OH TYR A 13 9.791 -2.432 -1.439 1.00 1.20 O ATOM 0 H TYR A 13 5.662 1.763 -7.017 1.00 44.22 H new ATOM 0 HA TYR A 13 7.791 -0.105 -7.017 1.00 30.42 H new ATOM 0 HB2 TYR A 13 7.543 1.703 -5.363 1.00 63.24 H new ATOM 0 HB3 TYR A 13 6.018 1.041 -4.810 1.00 63.24 H new ATOM 0 HD1 TYR A 13 9.660 0.137 -5.104 1.00 62.05 H new ATOM 0 HD2 TYR A 13 6.015 -0.509 -2.968 1.00 44.41 H new ATOM 0 HE1 TYR A 13 10.851 -1.258 -3.487 1.00 33.23 H new ATOM 0 HE2 TYR A 13 7.229 -1.889 -1.341 1.00 72.23 H new ATOM 0 HH TYR A 13 9.599 -2.139 -0.524 1.00 1.20 H new ATOM 232 N ILE A 14 4.797 -1.351 -6.373 1.00 62.14 N ATOM 233 CA ILE A 14 4.014 -2.586 -6.189 1.00 54.35 C ATOM 234 C ILE A 14 4.289 -3.553 -7.335 1.00 13.21 C ATOM 235 O ILE A 14 4.594 -4.712 -7.106 1.00 72.30 O ATOM 236 CB ILE A 14 2.472 -2.282 -6.017 1.00 12.22 C ATOM 237 CG1 ILE A 14 2.210 -1.550 -4.657 1.00 41.44 C ATOM 238 CG2 ILE A 14 1.611 -3.568 -6.104 1.00 33.21 C ATOM 239 CD1 ILE A 14 0.807 -1.002 -4.488 1.00 21.23 C ATOM 0 H ILE A 14 4.223 -0.515 -6.484 1.00 62.14 H new ATOM 0 HA ILE A 14 4.332 -3.064 -5.262 1.00 54.35 H new ATOM 0 HB ILE A 14 2.176 -1.632 -6.841 1.00 12.22 H new ATOM 0 HG12 ILE A 14 2.414 -2.244 -3.842 1.00 41.44 H new ATOM 0 HG13 ILE A 14 2.920 -0.728 -4.561 1.00 41.44 H new ATOM 0 HG21 ILE A 14 0.559 -3.311 -5.980 1.00 33.21 H new ATOM 0 HG22 ILE A 14 1.758 -4.039 -7.076 1.00 33.21 H new ATOM 0 HG23 ILE A 14 1.910 -4.260 -5.317 1.00 33.21 H new ATOM 0 HD11 ILE A 14 0.722 -0.513 -3.517 1.00 21.23 H new ATOM 0 HD12 ILE A 14 0.601 -0.279 -5.277 1.00 21.23 H new ATOM 0 HD13 ILE A 14 0.088 -1.819 -4.548 1.00 21.23 H new ATOM 251 N MET A 15 4.275 -3.042 -8.559 1.00 4.33 N ATOM 252 CA MET A 15 4.486 -3.881 -9.746 1.00 50.41 C ATOM 253 C MET A 15 5.939 -4.380 -9.821 1.00 50.13 C ATOM 254 O MET A 15 6.170 -5.548 -10.115 1.00 11.43 O ATOM 255 CB MET A 15 4.086 -3.114 -11.018 1.00 32.44 C ATOM 256 CG MET A 15 2.640 -2.616 -11.006 1.00 32.20 C ATOM 257 SD MET A 15 1.431 -3.888 -10.563 1.00 22.44 S ATOM 258 CE MET A 15 1.577 -5.036 -11.921 1.00 43.44 C ATOM 0 H MET A 15 4.121 -2.054 -8.763 1.00 4.33 H new ATOM 0 HA MET A 15 3.847 -4.761 -9.666 1.00 50.41 H new ATOM 0 HB2 MET A 15 4.754 -2.261 -11.143 1.00 32.44 H new ATOM 0 HB3 MET A 15 4.231 -3.761 -11.883 1.00 32.44 H new ATOM 0 HG2 MET A 15 2.557 -1.788 -10.302 1.00 32.20 H new ATOM 0 HG3 MET A 15 2.393 -2.222 -11.992 1.00 32.20 H new ATOM 0 HE1 MET A 15 0.741 -5.735 -11.898 1.00 43.44 H new ATOM 0 HE2 MET A 15 1.566 -4.488 -12.863 1.00 43.44 H new ATOM 0 HE3 MET A 15 2.513 -5.587 -11.833 1.00 43.44 H new ATOM 268 N GLU A 16 6.895 -3.502 -9.489 1.00 12.54 N ATOM 269 CA GLU A 16 8.338 -3.808 -9.604 1.00 51.31 C ATOM 270 C GLU A 16 8.821 -4.794 -8.523 1.00 2.21 C ATOM 271 O GLU A 16 9.714 -5.606 -8.775 1.00 43.11 O ATOM 272 CB GLU A 16 9.146 -2.497 -9.535 1.00 70.55 C ATOM 273 CG GLU A 16 8.832 -1.497 -10.660 1.00 35.20 C ATOM 274 CD GLU A 16 9.148 -2.036 -12.065 1.00 22.03 C ATOM 275 OE1 GLU A 16 10.307 -1.899 -12.518 1.00 50.23 O ATOM 276 OE2 GLU A 16 8.248 -2.592 -12.724 1.00 4.45 O ATOM 0 H GLU A 16 6.698 -2.566 -9.135 1.00 12.54 H new ATOM 0 HA GLU A 16 8.499 -4.295 -10.566 1.00 51.31 H new ATOM 0 HB2 GLU A 16 8.955 -2.017 -8.575 1.00 70.55 H new ATOM 0 HB3 GLU A 16 10.209 -2.737 -9.565 1.00 70.55 H new ATOM 0 HG2 GLU A 16 7.777 -1.227 -10.612 1.00 35.20 H new ATOM 0 HG3 GLU A 16 9.403 -0.583 -10.493 1.00 35.20 H new ATOM 283 N ASP A 17 8.229 -4.714 -7.328 1.00 50.42 N ATOM 284 CA ASP A 17 8.654 -5.523 -6.163 1.00 75.43 C ATOM 285 C ASP A 17 7.591 -6.563 -5.811 1.00 31.44 C ATOM 286 O ASP A 17 7.832 -7.770 -5.923 1.00 35.35 O ATOM 287 CB ASP A 17 8.945 -4.584 -4.953 1.00 1.32 C ATOM 288 CG ASP A 17 9.395 -5.330 -3.682 1.00 14.23 C ATOM 289 OD1 ASP A 17 8.530 -5.763 -2.897 1.00 22.32 O ATOM 290 OD2 ASP A 17 10.616 -5.528 -3.483 1.00 10.01 O ATOM 0 H ASP A 17 7.444 -4.092 -7.133 1.00 50.42 H new ATOM 0 HA ASP A 17 9.568 -6.061 -6.415 1.00 75.43 H new ATOM 0 HB2 ASP A 17 9.718 -3.870 -5.237 1.00 1.32 H new ATOM 0 HB3 ASP A 17 8.047 -4.009 -4.727 1.00 1.32 H new ATOM 295 N LEU A 18 6.409 -6.065 -5.423 1.00 21.42 N ATOM 296 CA LEU A 18 5.311 -6.883 -4.857 1.00 52.21 C ATOM 297 C LEU A 18 4.798 -7.934 -5.879 1.00 52.44 C ATOM 298 O LEU A 18 4.395 -9.029 -5.481 1.00 4.32 O ATOM 299 CB LEU A 18 4.156 -5.959 -4.355 1.00 14.32 C ATOM 300 CG LEU A 18 4.430 -5.062 -3.084 1.00 52.11 C ATOM 301 CD1 LEU A 18 4.749 -5.909 -1.863 1.00 31.32 C ATOM 302 CD2 LEU A 18 5.530 -4.001 -3.284 1.00 24.04 C ATOM 0 H LEU A 18 6.179 -5.074 -5.491 1.00 21.42 H new ATOM 0 HA LEU A 18 5.701 -7.438 -4.004 1.00 52.21 H new ATOM 0 HB2 LEU A 18 3.874 -5.300 -5.176 1.00 14.32 H new ATOM 0 HB3 LEU A 18 3.292 -6.589 -4.141 1.00 14.32 H new ATOM 0 HG LEU A 18 3.499 -4.520 -2.921 1.00 52.11 H new ATOM 0 HD11 LEU A 18 4.932 -5.259 -1.007 1.00 31.32 H new ATOM 0 HD12 LEU A 18 3.907 -6.566 -1.646 1.00 31.32 H new ATOM 0 HD13 LEU A 18 5.637 -6.510 -2.059 1.00 31.32 H new ATOM 0 HD21 LEU A 18 5.655 -3.429 -2.365 1.00 24.04 H new ATOM 0 HD22 LEU A 18 6.469 -4.494 -3.536 1.00 24.04 H new ATOM 0 HD23 LEU A 18 5.245 -3.329 -4.093 1.00 24.04 H new ATOM 314 N ILE A 19 4.805 -7.590 -7.190 1.00 3.03 N ATOM 315 CA ILE A 19 4.600 -8.575 -8.275 1.00 14.44 C ATOM 316 C ILE A 19 5.969 -9.127 -8.715 1.00 74.14 C ATOM 317 O ILE A 19 6.179 -10.339 -8.730 1.00 61.52 O ATOM 318 CB ILE A 19 3.829 -7.998 -9.539 1.00 64.41 C ATOM 319 CG1 ILE A 19 2.354 -7.598 -9.216 1.00 31.22 C ATOM 320 CG2 ILE A 19 3.833 -9.017 -10.708 1.00 5.40 C ATOM 321 CD1 ILE A 19 2.174 -6.407 -8.310 1.00 22.50 C ATOM 0 H ILE A 19 4.951 -6.636 -7.520 1.00 3.03 H new ATOM 0 HA ILE A 19 3.964 -9.361 -7.867 1.00 14.44 H new ATOM 0 HB ILE A 19 4.367 -7.097 -9.832 1.00 64.41 H new ATOM 0 HG12 ILE A 19 1.840 -7.395 -10.155 1.00 31.22 H new ATOM 0 HG13 ILE A 19 1.858 -8.455 -8.759 1.00 31.22 H new ATOM 0 HG21 ILE A 19 3.299 -8.596 -11.560 1.00 5.40 H new ATOM 0 HG22 ILE A 19 4.861 -9.235 -10.997 1.00 5.40 H new ATOM 0 HG23 ILE A 19 3.342 -9.937 -10.390 1.00 5.40 H new ATOM 0 HD11 ILE A 19 1.110 -6.224 -8.157 1.00 22.50 H new ATOM 0 HD12 ILE A 19 2.650 -6.605 -7.350 1.00 22.50 H new ATOM 0 HD13 ILE A 19 2.631 -5.530 -8.767 1.00 22.50 H new ATOM 333 N GLY A 20 6.900 -8.219 -9.062 1.00 52.20 N ATOM 334 CA GLY A 20 8.248 -8.595 -9.528 1.00 72.22 C ATOM 335 C GLY A 20 8.514 -8.158 -10.973 1.00 73.25 C ATOM 336 O GLY A 20 7.834 -7.252 -11.473 1.00 42.03 O ATOM 0 H GLY A 20 6.741 -7.212 -9.028 1.00 52.20 H new ATOM 0 HA2 GLY A 20 8.994 -8.145 -8.873 1.00 72.22 H new ATOM 0 HA3 GLY A 20 8.367 -9.676 -9.451 1.00 72.22 H new ATOM 340 N PRO A 21 9.491 -8.802 -11.690 1.00 50.50 N ATOM 341 CA PRO A 21 9.845 -8.427 -13.085 1.00 14.10 C ATOM 342 C PRO A 21 8.746 -8.816 -14.103 1.00 42.13 C ATOM 343 O PRO A 21 8.744 -8.335 -15.239 1.00 31.52 O ATOM 344 CB PRO A 21 11.157 -9.213 -13.333 1.00 30.12 C ATOM 345 CG PRO A 21 11.051 -10.412 -12.447 1.00 4.23 C ATOM 346 CD PRO A 21 10.324 -9.936 -11.204 1.00 1.54 C ATOM 0 HA PRO A 21 9.953 -7.350 -13.213 1.00 14.10 H new ATOM 0 HB2 PRO A 21 11.255 -9.501 -14.380 1.00 30.12 H new ATOM 0 HB3 PRO A 21 12.032 -8.612 -13.084 1.00 30.12 H new ATOM 0 HG2 PRO A 21 10.503 -11.216 -12.939 1.00 4.23 H new ATOM 0 HG3 PRO A 21 12.037 -10.804 -12.199 1.00 4.23 H new ATOM 0 HD2 PRO A 21 9.710 -10.727 -10.773 1.00 1.54 H new ATOM 0 HD3 PRO A 21 11.022 -9.616 -10.430 1.00 1.54 H new ATOM 354 N SER A 22 7.811 -9.683 -13.677 1.00 24.43 N ATOM 355 CA SER A 22 6.663 -10.122 -14.492 1.00 42.20 C ATOM 356 C SER A 22 5.425 -9.259 -14.167 1.00 41.12 C ATOM 357 O SER A 22 4.292 -9.760 -14.080 1.00 3.13 O ATOM 358 CB SER A 22 6.396 -11.610 -14.199 1.00 24.42 C ATOM 359 OG SER A 22 7.533 -12.414 -14.490 1.00 51.42 O ATOM 0 H SER A 22 7.831 -10.103 -12.748 1.00 24.43 H new ATOM 0 HA SER A 22 6.882 -10.000 -15.553 1.00 42.20 H new ATOM 0 HB2 SER A 22 6.123 -11.732 -13.151 1.00 24.42 H new ATOM 0 HB3 SER A 22 5.547 -11.951 -14.792 1.00 24.42 H new ATOM 0 HG SER A 22 7.330 -13.352 -14.291 1.00 51.42 H new ATOM 365 N ALA A 23 5.666 -7.946 -14.021 1.00 10.32 N ATOM 366 CA ALA A 23 4.660 -6.968 -13.605 1.00 52.53 C ATOM 367 C ALA A 23 3.547 -6.812 -14.655 1.00 72.23 C ATOM 368 O ALA A 23 3.757 -6.197 -15.708 1.00 62.11 O ATOM 369 CB ALA A 23 5.335 -5.632 -13.318 1.00 14.42 C ATOM 0 H ALA A 23 6.582 -7.532 -14.193 1.00 10.32 H new ATOM 0 HA ALA A 23 4.184 -7.330 -12.694 1.00 52.53 H new ATOM 0 HB1 ALA A 23 4.585 -4.904 -13.008 1.00 14.42 H new ATOM 0 HB2 ALA A 23 6.068 -5.759 -12.522 1.00 14.42 H new ATOM 0 HB3 ALA A 23 5.835 -5.276 -14.219 1.00 14.42 H new ATOM 375 N LYS A 24 2.373 -7.402 -14.364 1.00 35.11 N ATOM 376 CA LYS A 24 1.192 -7.327 -15.235 1.00 14.41 C ATOM 377 C LYS A 24 0.520 -5.948 -15.104 1.00 25.14 C ATOM 378 O LYS A 24 -0.465 -5.779 -14.371 1.00 24.31 O ATOM 379 CB LYS A 24 0.210 -8.469 -14.921 1.00 70.35 C ATOM 380 CG LYS A 24 0.779 -9.878 -15.186 1.00 54.11 C ATOM 381 CD LYS A 24 -0.280 -10.971 -14.992 1.00 2.03 C ATOM 382 CE LYS A 24 -1.457 -10.845 -15.980 1.00 22.13 C ATOM 383 NZ LYS A 24 -2.636 -11.653 -15.564 1.00 74.32 N ATOM 0 H LYS A 24 2.219 -7.945 -13.515 1.00 35.11 H new ATOM 0 HA LYS A 24 1.510 -7.447 -16.271 1.00 14.41 H new ATOM 0 HB2 LYS A 24 -0.089 -8.400 -13.875 1.00 70.35 H new ATOM 0 HB3 LYS A 24 -0.691 -8.334 -15.519 1.00 70.35 H new ATOM 0 HG2 LYS A 24 1.168 -9.927 -16.203 1.00 54.11 H new ATOM 0 HG3 LYS A 24 1.618 -10.063 -14.515 1.00 54.11 H new ATOM 0 HD2 LYS A 24 0.187 -11.948 -15.113 1.00 2.03 H new ATOM 0 HD3 LYS A 24 -0.661 -10.924 -13.972 1.00 2.03 H new ATOM 0 HE2 LYS A 24 -1.748 -9.798 -16.062 1.00 22.13 H new ATOM 0 HE3 LYS A 24 -1.132 -11.164 -16.970 1.00 22.13 H new ATOM 0 HZ1 LYS A 24 -3.453 -11.407 -16.159 1.00 74.32 H new ATOM 0 HZ2 LYS A 24 -2.420 -12.664 -15.673 1.00 74.32 H new ATOM 0 HZ3 LYS A 24 -2.860 -11.453 -14.568 1.00 74.32 H new ATOM 397 N GLU A 25 1.123 -4.970 -15.796 1.00 42.21 N ATOM 398 CA GLU A 25 0.714 -3.540 -15.836 1.00 61.13 C ATOM 399 C GLU A 25 -0.766 -3.344 -16.223 1.00 51.11 C ATOM 400 O GLU A 25 -1.381 -2.322 -15.895 1.00 60.24 O ATOM 401 CB GLU A 25 1.614 -2.827 -16.880 1.00 20.21 C ATOM 402 CG GLU A 25 1.540 -3.464 -18.291 1.00 42.53 C ATOM 403 CD GLU A 25 2.517 -2.857 -19.315 1.00 20.23 C ATOM 404 OE1 GLU A 25 2.159 -1.866 -19.991 1.00 20.21 O ATOM 405 OE2 GLU A 25 3.654 -3.359 -19.434 1.00 0.20 O ATOM 0 H GLU A 25 1.946 -5.152 -16.371 1.00 42.21 H new ATOM 0 HA GLU A 25 0.831 -3.122 -14.836 1.00 61.13 H new ATOM 0 HB2 GLU A 25 1.321 -1.779 -16.946 1.00 20.21 H new ATOM 0 HB3 GLU A 25 2.647 -2.848 -16.533 1.00 20.21 H new ATOM 0 HG2 GLU A 25 1.740 -4.532 -18.205 1.00 42.53 H new ATOM 0 HG3 GLU A 25 0.524 -3.360 -18.671 1.00 42.53 H new ATOM 412 N ASP A 26 -1.295 -4.346 -16.929 1.00 61.24 N ATOM 413 CA ASP A 26 -2.658 -4.357 -17.475 1.00 10.12 C ATOM 414 C ASP A 26 -3.678 -4.249 -16.348 1.00 30.03 C ATOM 415 O ASP A 26 -4.639 -3.488 -16.417 1.00 73.35 O ATOM 416 CB ASP A 26 -2.910 -5.679 -18.255 1.00 33.12 C ATOM 417 CG ASP A 26 -1.753 -6.079 -19.179 1.00 62.15 C ATOM 418 OD1 ASP A 26 -0.723 -6.584 -18.669 1.00 35.41 O ATOM 419 OD2 ASP A 26 -1.861 -5.910 -20.412 1.00 53.45 O ATOM 0 H ASP A 26 -0.774 -5.196 -17.144 1.00 61.24 H new ATOM 0 HA ASP A 26 -2.765 -3.506 -18.148 1.00 10.12 H new ATOM 0 HB2 ASP A 26 -3.088 -6.483 -17.541 1.00 33.12 H new ATOM 0 HB3 ASP A 26 -3.818 -5.573 -18.849 1.00 33.12 H new ATOM 424 N GLU A 27 -3.404 -5.027 -15.297 1.00 52.35 N ATOM 425 CA GLU A 27 -4.298 -5.213 -14.146 1.00 52.11 C ATOM 426 C GLU A 27 -3.999 -4.203 -13.018 1.00 14.12 C ATOM 427 O GLU A 27 -4.720 -4.163 -12.014 1.00 11.30 O ATOM 428 CB GLU A 27 -4.133 -6.659 -13.632 1.00 35.44 C ATOM 429 CG GLU A 27 -4.323 -7.737 -14.714 1.00 73.54 C ATOM 430 CD GLU A 27 -4.214 -9.182 -14.176 1.00 4.52 C ATOM 431 OE1 GLU A 27 -3.242 -9.485 -13.452 1.00 75.41 O ATOM 432 OE2 GLU A 27 -5.084 -10.024 -14.495 1.00 53.04 O ATOM 0 H GLU A 27 -2.536 -5.557 -15.219 1.00 52.35 H new ATOM 0 HA GLU A 27 -5.326 -5.037 -14.463 1.00 52.11 H new ATOM 0 HB2 GLU A 27 -3.139 -6.767 -13.197 1.00 35.44 H new ATOM 0 HB3 GLU A 27 -4.852 -6.833 -12.831 1.00 35.44 H new ATOM 0 HG2 GLU A 27 -5.300 -7.604 -15.179 1.00 73.54 H new ATOM 0 HG3 GLU A 27 -3.576 -7.592 -15.494 1.00 73.54 H new ATOM 439 N LEU A 28 -2.931 -3.403 -13.187 1.00 22.03 N ATOM 440 CA LEU A 28 -2.524 -2.394 -12.204 1.00 4.11 C ATOM 441 C LEU A 28 -3.552 -1.246 -12.177 1.00 51.25 C ATOM 442 O LEU A 28 -3.915 -0.701 -13.223 1.00 34.05 O ATOM 443 CB LEU A 28 -1.082 -1.890 -12.512 1.00 21.31 C ATOM 444 CG LEU A 28 -0.416 -0.894 -11.485 1.00 13.34 C ATOM 445 CD1 LEU A 28 -0.790 0.587 -11.746 1.00 30.24 C ATOM 446 CD2 LEU A 28 -0.721 -1.289 -10.010 1.00 24.23 C ATOM 0 H LEU A 28 -2.329 -3.441 -14.010 1.00 22.03 H new ATOM 0 HA LEU A 28 -2.502 -2.839 -11.209 1.00 4.11 H new ATOM 0 HB2 LEU A 28 -0.434 -2.762 -12.601 1.00 21.31 H new ATOM 0 HB3 LEU A 28 -1.098 -1.404 -13.488 1.00 21.31 H new ATOM 0 HG LEU A 28 0.659 -0.983 -11.645 1.00 13.34 H new ATOM 0 HD11 LEU A 28 -0.301 1.221 -11.007 1.00 30.24 H new ATOM 0 HD12 LEU A 28 -0.462 0.875 -12.745 1.00 30.24 H new ATOM 0 HD13 LEU A 28 -1.871 0.708 -11.670 1.00 30.24 H new ATOM 0 HD21 LEU A 28 -0.244 -0.577 -9.337 1.00 24.23 H new ATOM 0 HD22 LEU A 28 -1.798 -1.278 -9.846 1.00 24.23 H new ATOM 0 HD23 LEU A 28 -0.335 -2.289 -9.814 1.00 24.23 H new ATOM 458 N ASP A 29 -4.022 -0.930 -10.962 1.00 41.52 N ATOM 459 CA ASP A 29 -4.956 0.176 -10.701 1.00 51.30 C ATOM 460 C ASP A 29 -5.005 0.426 -9.186 1.00 54.13 C ATOM 461 O ASP A 29 -4.485 -0.382 -8.400 1.00 52.45 O ATOM 462 CB ASP A 29 -6.372 -0.163 -11.251 1.00 52.00 C ATOM 463 CG ASP A 29 -7.277 1.063 -11.484 1.00 74.20 C ATOM 464 OD1 ASP A 29 -7.982 1.494 -10.550 1.00 74.25 O ATOM 465 OD2 ASP A 29 -7.295 1.590 -12.619 1.00 10.42 O ATOM 0 H ASP A 29 -3.760 -1.443 -10.120 1.00 41.52 H new ATOM 0 HA ASP A 29 -4.613 1.077 -11.210 1.00 51.30 H new ATOM 0 HB2 ASP A 29 -6.263 -0.703 -12.192 1.00 52.00 H new ATOM 0 HB3 ASP A 29 -6.868 -0.837 -10.552 1.00 52.00 H new ATOM 470 N ASP A 30 -5.621 1.545 -8.790 1.00 11.43 N ATOM 471 CA ASP A 30 -5.795 1.907 -7.375 1.00 44.32 C ATOM 472 C ASP A 30 -6.992 1.162 -6.766 1.00 20.52 C ATOM 473 O ASP A 30 -6.945 0.729 -5.603 1.00 73.20 O ATOM 474 CB ASP A 30 -5.945 3.446 -7.221 1.00 40.05 C ATOM 475 CG ASP A 30 -7.007 4.082 -8.144 1.00 2.22 C ATOM 476 OD1 ASP A 30 -6.759 4.186 -9.366 1.00 43.42 O ATOM 477 OD2 ASP A 30 -8.088 4.485 -7.669 1.00 64.54 O ATOM 0 H ASP A 30 -6.014 2.227 -9.439 1.00 11.43 H new ATOM 0 HA ASP A 30 -4.904 1.602 -6.826 1.00 44.32 H new ATOM 0 HB2 ASP A 30 -6.200 3.672 -6.186 1.00 40.05 H new ATOM 0 HB3 ASP A 30 -4.981 3.914 -7.421 1.00 40.05 H new ATOM 482 N GLN A 31 -8.052 1.012 -7.569 1.00 30.41 N ATOM 483 CA GLN A 31 -9.279 0.298 -7.185 1.00 42.22 C ATOM 484 C GLN A 31 -9.130 -1.231 -7.358 1.00 33.12 C ATOM 485 O GLN A 31 -10.012 -1.991 -6.924 1.00 71.11 O ATOM 486 CB GLN A 31 -10.478 0.826 -8.019 1.00 31.11 C ATOM 487 CG GLN A 31 -10.676 2.352 -7.927 1.00 33.22 C ATOM 488 CD GLN A 31 -11.874 2.891 -8.723 1.00 4.30 C ATOM 489 OE1 GLN A 31 -12.277 2.325 -9.748 1.00 32.21 O ATOM 490 NE2 GLN A 31 -12.440 4.000 -8.267 1.00 21.42 N ATOM 0 H GLN A 31 -8.084 1.388 -8.517 1.00 30.41 H new ATOM 0 HA GLN A 31 -9.463 0.488 -6.128 1.00 42.22 H new ATOM 0 HB2 GLN A 31 -10.331 0.550 -9.063 1.00 31.11 H new ATOM 0 HB3 GLN A 31 -11.389 0.330 -7.683 1.00 31.11 H new ATOM 0 HG2 GLN A 31 -10.800 2.627 -6.879 1.00 33.22 H new ATOM 0 HG3 GLN A 31 -9.770 2.845 -8.281 1.00 33.22 H new ATOM 0 HE21 GLN A 31 -12.085 4.443 -7.419 1.00 21.42 H new ATOM 0 HE22 GLN A 31 -13.231 4.410 -8.764 1.00 21.42 H new ATOM 499 N THR A 32 -8.029 -1.682 -8.010 1.00 34.30 N ATOM 500 CA THR A 32 -7.706 -3.118 -8.098 1.00 2.23 C ATOM 501 C THR A 32 -7.300 -3.651 -6.707 1.00 13.55 C ATOM 502 O THR A 32 -6.300 -3.188 -6.141 1.00 0.32 O ATOM 503 CB THR A 32 -6.571 -3.426 -9.120 1.00 31.24 C ATOM 504 OG1 THR A 32 -7.015 -3.104 -10.443 1.00 40.13 O ATOM 505 CG2 THR A 32 -6.127 -4.906 -9.074 1.00 42.44 C ATOM 0 H THR A 32 -7.358 -1.073 -8.478 1.00 34.30 H new ATOM 0 HA THR A 32 -8.606 -3.620 -8.453 1.00 2.23 H new ATOM 0 HB THR A 32 -5.711 -2.814 -8.848 1.00 31.24 H new ATOM 0 HG1 THR A 32 -6.344 -3.398 -11.094 1.00 40.13 H new ATOM 0 HG21 THR A 32 -5.335 -5.071 -9.804 1.00 42.44 H new ATOM 0 HG22 THR A 32 -5.757 -5.144 -8.077 1.00 42.44 H new ATOM 0 HG23 THR A 32 -6.976 -5.548 -9.309 1.00 42.44 H new ATOM 513 N PRO A 33 -8.074 -4.630 -6.145 1.00 51.03 N ATOM 514 CA PRO A 33 -7.806 -5.191 -4.813 1.00 31.11 C ATOM 515 C PRO A 33 -6.589 -6.142 -4.819 1.00 4.05 C ATOM 516 O PRO A 33 -6.631 -7.259 -5.335 1.00 74.33 O ATOM 517 CB PRO A 33 -9.131 -5.893 -4.475 1.00 41.21 C ATOM 518 CG PRO A 33 -9.678 -6.323 -5.797 1.00 61.25 C ATOM 519 CD PRO A 33 -9.277 -5.249 -6.770 1.00 60.51 C ATOM 0 HA PRO A 33 -7.529 -4.445 -4.068 1.00 31.11 H new ATOM 0 HB2 PRO A 33 -8.971 -6.746 -3.816 1.00 41.21 H new ATOM 0 HB3 PRO A 33 -9.817 -5.219 -3.962 1.00 41.21 H new ATOM 0 HG2 PRO A 33 -9.273 -7.291 -6.093 1.00 61.25 H new ATOM 0 HG3 PRO A 33 -10.762 -6.430 -5.756 1.00 61.25 H new ATOM 0 HD2 PRO A 33 -9.048 -5.664 -7.751 1.00 60.51 H new ATOM 0 HD3 PRO A 33 -10.074 -4.519 -6.911 1.00 60.51 H new ATOM 527 N LEU A 34 -5.504 -5.652 -4.221 1.00 3.21 N ATOM 528 CA LEU A 34 -4.207 -6.329 -4.161 1.00 33.25 C ATOM 529 C LEU A 34 -4.272 -7.588 -3.270 1.00 4.34 C ATOM 530 O LEU A 34 -3.925 -8.685 -3.715 1.00 0.42 O ATOM 531 CB LEU A 34 -3.155 -5.328 -3.624 1.00 72.03 C ATOM 532 CG LEU A 34 -3.102 -3.945 -4.349 1.00 2.11 C ATOM 533 CD1 LEU A 34 -2.193 -2.952 -3.600 1.00 61.42 C ATOM 534 CD2 LEU A 34 -2.658 -4.091 -5.827 1.00 14.51 C ATOM 0 H LEU A 34 -5.502 -4.747 -3.751 1.00 3.21 H new ATOM 0 HA LEU A 34 -3.926 -6.661 -5.160 1.00 33.25 H new ATOM 0 HB2 LEU A 34 -3.352 -5.155 -2.566 1.00 72.03 H new ATOM 0 HB3 LEU A 34 -2.171 -5.792 -3.693 1.00 72.03 H new ATOM 0 HG LEU A 34 -4.115 -3.543 -4.345 1.00 2.11 H new ATOM 0 HD11 LEU A 34 -2.179 -2.000 -4.131 1.00 61.42 H new ATOM 0 HD12 LEU A 34 -2.575 -2.799 -2.591 1.00 61.42 H new ATOM 0 HD13 LEU A 34 -1.181 -3.354 -3.547 1.00 61.42 H new ATOM 0 HD21 LEU A 34 -2.633 -3.108 -6.298 1.00 14.51 H new ATOM 0 HD22 LEU A 34 -1.664 -4.537 -5.866 1.00 14.51 H new ATOM 0 HD23 LEU A 34 -3.364 -4.730 -6.358 1.00 14.51 H new ATOM 546 N LEU A 35 -4.728 -7.416 -2.011 1.00 73.03 N ATOM 547 CA LEU A 35 -4.898 -8.518 -1.035 1.00 70.42 C ATOM 548 C LEU A 35 -5.822 -9.616 -1.588 1.00 63.33 C ATOM 549 O LEU A 35 -5.549 -10.814 -1.440 1.00 51.03 O ATOM 550 CB LEU A 35 -5.463 -7.964 0.312 1.00 2.31 C ATOM 551 CG LEU A 35 -4.554 -8.142 1.563 1.00 72.44 C ATOM 552 CD1 LEU A 35 -4.339 -9.623 1.929 1.00 15.34 C ATOM 553 CD2 LEU A 35 -3.212 -7.431 1.379 1.00 72.51 C ATOM 0 H LEU A 35 -4.991 -6.503 -1.639 1.00 73.03 H new ATOM 0 HA LEU A 35 -3.919 -8.962 -0.855 1.00 70.42 H new ATOM 0 HB2 LEU A 35 -5.668 -6.901 0.186 1.00 2.31 H new ATOM 0 HB3 LEU A 35 -6.417 -8.452 0.510 1.00 2.31 H new ATOM 0 HG LEU A 35 -5.080 -7.678 2.397 1.00 72.44 H new ATOM 0 HD11 LEU A 35 -3.698 -9.691 2.808 1.00 15.34 H new ATOM 0 HD12 LEU A 35 -5.301 -10.088 2.144 1.00 15.34 H new ATOM 0 HD13 LEU A 35 -3.865 -10.139 1.094 1.00 15.34 H new ATOM 0 HD21 LEU A 35 -2.600 -7.574 2.269 1.00 72.51 H new ATOM 0 HD22 LEU A 35 -2.696 -7.846 0.513 1.00 72.51 H new ATOM 0 HD23 LEU A 35 -3.383 -6.366 1.223 1.00 72.51 H new ATOM 565 N GLU A 36 -6.895 -9.167 -2.245 1.00 31.50 N ATOM 566 CA GLU A 36 -7.933 -10.053 -2.774 1.00 24.12 C ATOM 567 C GLU A 36 -7.397 -10.873 -3.965 1.00 1.54 C ATOM 568 O GLU A 36 -7.810 -12.013 -4.169 1.00 62.42 O ATOM 569 CB GLU A 36 -9.162 -9.222 -3.204 1.00 50.11 C ATOM 570 CG GLU A 36 -10.468 -10.019 -3.403 1.00 13.04 C ATOM 571 CD GLU A 36 -11.051 -10.587 -2.089 1.00 54.34 C ATOM 572 OE1 GLU A 36 -11.733 -9.835 -1.361 1.00 73.51 O ATOM 573 OE2 GLU A 36 -10.829 -11.780 -1.776 1.00 35.02 O ATOM 0 H GLU A 36 -7.068 -8.178 -2.425 1.00 31.50 H new ATOM 0 HA GLU A 36 -8.230 -10.749 -1.990 1.00 24.12 H new ATOM 0 HB2 GLU A 36 -9.338 -8.452 -2.453 1.00 50.11 H new ATOM 0 HB3 GLU A 36 -8.924 -8.710 -4.136 1.00 50.11 H new ATOM 0 HG2 GLU A 36 -11.211 -9.373 -3.871 1.00 13.04 H new ATOM 0 HG3 GLU A 36 -10.281 -10.841 -4.093 1.00 13.04 H new ATOM 580 N TRP A 37 -6.452 -10.285 -4.732 1.00 32.43 N ATOM 581 CA TRP A 37 -5.866 -10.946 -5.932 1.00 73.24 C ATOM 582 C TRP A 37 -4.534 -11.640 -5.576 1.00 23.03 C ATOM 583 O TRP A 37 -3.777 -12.031 -6.471 1.00 42.21 O ATOM 584 CB TRP A 37 -5.650 -9.913 -7.072 1.00 61.14 C ATOM 585 CG TRP A 37 -6.911 -9.379 -7.727 1.00 63.22 C ATOM 586 CD1 TRP A 37 -8.182 -9.354 -7.221 1.00 11.34 C ATOM 587 CD2 TRP A 37 -6.999 -8.771 -9.027 1.00 62.51 C ATOM 588 NE1 TRP A 37 -9.038 -8.765 -8.113 1.00 2.51 N ATOM 589 CE2 TRP A 37 -8.339 -8.402 -9.231 1.00 63.33 C ATOM 590 CE3 TRP A 37 -6.068 -8.505 -10.031 1.00 3.03 C ATOM 591 CZ2 TRP A 37 -8.771 -7.774 -10.398 1.00 73.11 C ATOM 592 CZ3 TRP A 37 -6.502 -7.890 -11.191 1.00 10.11 C ATOM 593 CH2 TRP A 37 -7.842 -7.530 -11.366 1.00 61.15 C ATOM 0 H TRP A 37 -6.076 -9.355 -4.546 1.00 32.43 H new ATOM 0 HA TRP A 37 -6.567 -11.705 -6.280 1.00 73.24 H new ATOM 0 HB2 TRP A 37 -5.087 -9.070 -6.671 1.00 61.14 H new ATOM 0 HB3 TRP A 37 -5.031 -10.374 -7.842 1.00 61.14 H new ATOM 0 HD1 TRP A 37 -8.469 -9.743 -6.255 1.00 11.34 H new ATOM 0 HE1 TRP A 37 -10.037 -8.620 -7.967 1.00 2.51 H new ATOM 0 HE3 TRP A 37 -5.030 -8.774 -9.905 1.00 3.03 H new ATOM 0 HZ2 TRP A 37 -9.805 -7.491 -10.531 1.00 73.11 H new ATOM 0 HZ3 TRP A 37 -5.792 -7.683 -11.978 1.00 10.11 H new ATOM 0 HH2 TRP A 37 -8.147 -7.050 -12.284 1.00 61.15 H new ATOM 604 N GLY A 38 -4.255 -11.777 -4.265 1.00 40.00 N ATOM 605 CA GLY A 38 -3.054 -12.472 -3.785 1.00 61.22 C ATOM 606 C GLY A 38 -1.739 -11.794 -4.178 1.00 53.34 C ATOM 607 O GLY A 38 -0.675 -12.430 -4.165 1.00 14.23 O ATOM 0 H GLY A 38 -4.850 -11.413 -3.521 1.00 40.00 H new ATOM 0 HA2 GLY A 38 -3.101 -12.547 -2.699 1.00 61.22 H new ATOM 0 HA3 GLY A 38 -3.056 -13.490 -4.175 1.00 61.22 H new ATOM 611 N ILE A 39 -1.825 -10.497 -4.530 1.00 3.02 N ATOM 612 CA ILE A 39 -0.679 -9.667 -4.916 1.00 64.53 C ATOM 613 C ILE A 39 0.190 -9.417 -3.677 1.00 52.04 C ATOM 614 O ILE A 39 1.421 -9.412 -3.744 1.00 31.12 O ATOM 615 CB ILE A 39 -1.193 -8.311 -5.549 1.00 12.51 C ATOM 616 CG1 ILE A 39 -1.962 -8.587 -6.896 1.00 30.02 C ATOM 617 CG2 ILE A 39 -0.058 -7.287 -5.739 1.00 23.15 C ATOM 618 CD1 ILE A 39 -2.537 -7.361 -7.595 1.00 74.31 C ATOM 0 H ILE A 39 -2.711 -9.992 -4.553 1.00 3.02 H new ATOM 0 HA ILE A 39 -0.075 -10.175 -5.667 1.00 64.53 H new ATOM 0 HB ILE A 39 -1.893 -7.863 -4.844 1.00 12.51 H new ATOM 0 HG12 ILE A 39 -1.282 -9.089 -7.584 1.00 30.02 H new ATOM 0 HG13 ILE A 39 -2.777 -9.281 -6.691 1.00 30.02 H new ATOM 0 HG21 ILE A 39 -0.461 -6.374 -6.176 1.00 23.15 H new ATOM 0 HG22 ILE A 39 0.392 -7.059 -4.773 1.00 23.15 H new ATOM 0 HG23 ILE A 39 0.700 -7.703 -6.403 1.00 23.15 H new ATOM 0 HD11 ILE A 39 -3.044 -7.668 -8.510 1.00 74.31 H new ATOM 0 HD12 ILE A 39 -3.249 -6.866 -6.934 1.00 74.31 H new ATOM 0 HD13 ILE A 39 -1.730 -6.671 -7.841 1.00 74.31 H new ATOM 630 N LEU A 40 -0.494 -9.242 -2.541 1.00 22.22 N ATOM 631 CA LEU A 40 0.141 -9.050 -1.238 1.00 41.42 C ATOM 632 C LEU A 40 -0.200 -10.234 -0.327 1.00 30.03 C ATOM 633 O LEU A 40 -1.388 -10.493 -0.083 1.00 35.22 O ATOM 634 CB LEU A 40 -0.369 -7.740 -0.600 1.00 11.51 C ATOM 635 CG LEU A 40 -0.375 -6.473 -1.500 1.00 35.13 C ATOM 636 CD1 LEU A 40 -0.981 -5.258 -0.764 1.00 63.10 C ATOM 637 CD2 LEU A 40 1.028 -6.170 -2.029 1.00 2.32 C ATOM 0 H LEU A 40 -1.513 -9.230 -2.503 1.00 22.22 H new ATOM 0 HA LEU A 40 1.222 -8.989 -1.366 1.00 41.42 H new ATOM 0 HB2 LEU A 40 -1.386 -7.909 -0.246 1.00 11.51 H new ATOM 0 HB3 LEU A 40 0.243 -7.530 0.277 1.00 11.51 H new ATOM 0 HG LEU A 40 -1.014 -6.678 -2.359 1.00 35.13 H new ATOM 0 HD11 LEU A 40 -0.969 -4.390 -1.423 1.00 63.10 H new ATOM 0 HD12 LEU A 40 -2.009 -5.482 -0.477 1.00 63.10 H new ATOM 0 HD13 LEU A 40 -0.394 -5.043 0.129 1.00 63.10 H new ATOM 0 HD21 LEU A 40 0.996 -5.279 -2.656 1.00 2.32 H new ATOM 0 HD22 LEU A 40 1.704 -6.000 -1.191 1.00 2.32 H new ATOM 0 HD23 LEU A 40 1.385 -7.015 -2.618 1.00 2.32 H new ATOM 649 N ASN A 41 0.825 -10.951 0.154 1.00 11.13 N ATOM 650 CA ASN A 41 0.658 -12.038 1.136 1.00 40.34 C ATOM 651 C ASN A 41 1.909 -12.129 2.016 1.00 75.44 C ATOM 652 O ASN A 41 2.845 -12.866 1.679 1.00 61.13 O ATOM 653 CB ASN A 41 0.367 -13.393 0.428 1.00 73.12 C ATOM 654 CG ASN A 41 0.150 -14.579 1.381 1.00 43.10 C ATOM 655 OD1 ASN A 41 1.077 -15.327 1.705 1.00 61.32 O ATOM 656 ND2 ASN A 41 -1.084 -14.761 1.831 1.00 62.15 N ATOM 0 H ASN A 41 1.794 -10.796 -0.125 1.00 11.13 H new ATOM 0 HA ASN A 41 -0.201 -11.815 1.768 1.00 40.34 H new ATOM 0 HB2 ASN A 41 -0.519 -13.279 -0.196 1.00 73.12 H new ATOM 0 HB3 ASN A 41 1.198 -13.626 -0.238 1.00 73.12 H new ATOM 0 HD21 ASN A 41 -1.287 -15.536 2.463 1.00 62.15 H new ATOM 0 HD22 ASN A 41 -1.830 -14.126 1.546 1.00 62.15 H new ATOM 663 N SER A 42 1.924 -11.300 3.093 1.00 21.12 N ATOM 664 CA SER A 42 2.889 -11.375 4.215 1.00 53.41 C ATOM 665 C SER A 42 4.360 -11.081 3.808 1.00 43.50 C ATOM 666 O SER A 42 4.886 -9.993 4.117 1.00 12.52 O ATOM 667 CB SER A 42 2.729 -12.714 4.979 1.00 42.52 C ATOM 668 OG SER A 42 3.407 -12.755 6.247 1.00 51.23 O ATOM 0 H SER A 42 1.248 -10.544 3.205 1.00 21.12 H new ATOM 0 HA SER A 42 2.640 -10.564 4.899 1.00 53.41 H new ATOM 0 HB2 SER A 42 1.668 -12.902 5.141 1.00 42.52 H new ATOM 0 HB3 SER A 42 3.104 -13.524 4.353 1.00 42.52 H new ATOM 0 HG SER A 42 3.259 -13.627 6.669 1.00 51.23 H new ATOM 673 N MET A 43 5.004 -12.035 3.116 1.00 33.13 N ATOM 674 CA MET A 43 6.444 -11.971 2.758 1.00 23.01 C ATOM 675 C MET A 43 6.818 -10.669 2.037 1.00 53.14 C ATOM 676 O MET A 43 7.888 -10.094 2.251 1.00 4.45 O ATOM 677 CB MET A 43 6.818 -13.182 1.872 1.00 21.02 C ATOM 678 CG MET A 43 6.495 -14.557 2.481 1.00 13.33 C ATOM 679 SD MET A 43 7.249 -14.819 4.108 1.00 34.11 S ATOM 680 CE MET A 43 5.929 -14.358 5.236 1.00 21.21 C ATOM 0 H MET A 43 4.543 -12.882 2.783 1.00 33.13 H new ATOM 0 HA MET A 43 7.007 -11.997 3.691 1.00 23.01 H new ATOM 0 HB2 MET A 43 6.296 -13.091 0.920 1.00 21.02 H new ATOM 0 HB3 MET A 43 7.885 -13.139 1.656 1.00 21.02 H new ATOM 0 HG2 MET A 43 5.414 -14.662 2.569 1.00 13.33 H new ATOM 0 HG3 MET A 43 6.837 -15.337 1.801 1.00 13.33 H new ATOM 0 HE1 MET A 43 6.119 -14.796 6.216 1.00 21.21 H new ATOM 0 HE2 MET A 43 5.889 -13.272 5.325 1.00 21.21 H new ATOM 0 HE3 MET A 43 4.977 -14.726 4.852 1.00 21.21 H new ATOM 690 N ASN A 44 5.912 -10.219 1.175 1.00 3.01 N ATOM 691 CA ASN A 44 6.078 -8.979 0.403 1.00 40.44 C ATOM 692 C ASN A 44 5.380 -7.782 1.099 1.00 24.14 C ATOM 693 O ASN A 44 5.747 -6.630 0.882 1.00 53.33 O ATOM 694 CB ASN A 44 5.566 -9.184 -1.048 1.00 70.11 C ATOM 695 CG ASN A 44 4.107 -9.647 -1.181 1.00 51.20 C ATOM 696 OD1 ASN A 44 3.274 -9.432 -0.298 1.00 11.35 O ATOM 697 ND2 ASN A 44 3.782 -10.271 -2.307 1.00 45.31 N ATOM 0 H ASN A 44 5.034 -10.703 0.987 1.00 3.01 H new ATOM 0 HA ASN A 44 7.140 -8.737 0.356 1.00 40.44 H new ATOM 0 HB2 ASN A 44 5.681 -8.245 -1.590 1.00 70.11 H new ATOM 0 HB3 ASN A 44 6.206 -9.916 -1.540 1.00 70.11 H new ATOM 0 HD21 ASN A 44 2.823 -10.585 -2.458 1.00 45.31 H new ATOM 0 HD22 ASN A 44 4.491 -10.436 -3.021 1.00 45.31 H new ATOM 704 N ILE A 45 4.409 -8.072 1.971 1.00 55.33 N ATOM 705 CA ILE A 45 3.542 -7.050 2.612 1.00 12.33 C ATOM 706 C ILE A 45 4.334 -6.110 3.547 1.00 10.32 C ATOM 707 O ILE A 45 3.931 -4.967 3.779 1.00 43.31 O ATOM 708 CB ILE A 45 2.341 -7.759 3.379 1.00 31.22 C ATOM 709 CG1 ILE A 45 0.967 -7.143 2.986 1.00 61.11 C ATOM 710 CG2 ILE A 45 2.513 -7.766 4.927 1.00 73.44 C ATOM 711 CD1 ILE A 45 -0.216 -7.952 3.470 1.00 42.43 C ATOM 0 H ILE A 45 4.193 -9.026 2.261 1.00 55.33 H new ATOM 0 HA ILE A 45 3.131 -6.419 1.824 1.00 12.33 H new ATOM 0 HB ILE A 45 2.363 -8.800 3.056 1.00 31.22 H new ATOM 0 HG12 ILE A 45 0.899 -6.135 3.394 1.00 61.11 H new ATOM 0 HG13 ILE A 45 0.915 -7.052 1.901 1.00 61.11 H new ATOM 0 HG21 ILE A 45 1.659 -8.264 5.386 1.00 73.44 H new ATOM 0 HG22 ILE A 45 3.428 -8.298 5.189 1.00 73.44 H new ATOM 0 HG23 ILE A 45 2.573 -6.740 5.291 1.00 73.44 H new ATOM 0 HD11 ILE A 45 -1.141 -7.465 3.161 1.00 42.43 H new ATOM 0 HD12 ILE A 45 -0.172 -8.953 3.041 1.00 42.43 H new ATOM 0 HD13 ILE A 45 -0.189 -8.022 4.557 1.00 42.43 H new ATOM 723 N VAL A 46 5.468 -6.610 4.062 1.00 50.31 N ATOM 724 CA VAL A 46 6.360 -5.851 4.959 1.00 24.34 C ATOM 725 C VAL A 46 6.999 -4.652 4.216 1.00 63.44 C ATOM 726 O VAL A 46 7.375 -3.647 4.826 1.00 14.22 O ATOM 727 CB VAL A 46 7.463 -6.784 5.571 1.00 51.02 C ATOM 728 CG1 VAL A 46 8.344 -6.029 6.589 1.00 64.34 C ATOM 729 CG2 VAL A 46 6.832 -8.032 6.229 1.00 32.35 C ATOM 0 H VAL A 46 5.795 -7.556 3.868 1.00 50.31 H new ATOM 0 HA VAL A 46 5.759 -5.457 5.779 1.00 24.34 H new ATOM 0 HB VAL A 46 8.101 -7.110 4.750 1.00 51.02 H new ATOM 0 HG11 VAL A 46 9.097 -6.707 6.992 1.00 64.34 H new ATOM 0 HG12 VAL A 46 8.837 -5.193 6.094 1.00 64.34 H new ATOM 0 HG13 VAL A 46 7.721 -5.654 7.401 1.00 64.34 H new ATOM 0 HG21 VAL A 46 7.619 -8.661 6.645 1.00 32.35 H new ATOM 0 HG22 VAL A 46 6.157 -7.721 7.026 1.00 32.35 H new ATOM 0 HG23 VAL A 46 6.275 -8.595 5.481 1.00 32.35 H new ATOM 739 N LYS A 47 7.068 -4.765 2.877 1.00 74.25 N ATOM 740 CA LYS A 47 7.587 -3.698 2.008 1.00 4.35 C ATOM 741 C LYS A 47 6.695 -2.454 2.068 1.00 4.32 C ATOM 742 O LYS A 47 7.208 -1.347 2.007 1.00 53.33 O ATOM 743 CB LYS A 47 7.755 -4.168 0.542 1.00 60.50 C ATOM 744 CG LYS A 47 8.998 -5.041 0.280 1.00 51.32 C ATOM 745 CD LYS A 47 8.938 -6.432 0.932 1.00 32.40 C ATOM 746 CE LYS A 47 10.021 -7.358 0.384 1.00 71.31 C ATOM 747 NZ LYS A 47 9.925 -7.487 -1.097 1.00 45.15 N ATOM 0 H LYS A 47 6.766 -5.597 2.370 1.00 74.25 H new ATOM 0 HA LYS A 47 8.576 -3.439 2.387 1.00 4.35 H new ATOM 0 HB2 LYS A 47 6.867 -4.729 0.251 1.00 60.50 H new ATOM 0 HB3 LYS A 47 7.803 -3.290 -0.103 1.00 60.50 H new ATOM 0 HG2 LYS A 47 9.124 -5.161 -0.796 1.00 51.32 H new ATOM 0 HG3 LYS A 47 9.880 -4.517 0.648 1.00 51.32 H new ATOM 0 HD2 LYS A 47 9.055 -6.334 2.011 1.00 32.40 H new ATOM 0 HD3 LYS A 47 7.957 -6.875 0.757 1.00 32.40 H new ATOM 0 HE2 LYS A 47 11.004 -6.972 0.654 1.00 71.31 H new ATOM 0 HE3 LYS A 47 9.928 -8.342 0.844 1.00 71.31 H new ATOM 0 HZ1 LYS A 47 9.920 -8.494 -1.358 1.00 45.15 H new ATOM 0 HZ2 LYS A 47 9.047 -7.039 -1.428 1.00 45.15 H new ATOM 0 HZ3 LYS A 47 10.741 -7.018 -1.540 1.00 45.15 H new ATOM 761 N LEU A 48 5.363 -2.647 2.204 1.00 31.33 N ATOM 762 CA LEU A 48 4.413 -1.516 2.365 1.00 53.24 C ATOM 763 C LEU A 48 4.706 -0.763 3.677 1.00 53.24 C ATOM 764 O LEU A 48 4.682 0.468 3.710 1.00 54.30 O ATOM 765 CB LEU A 48 2.921 -1.976 2.345 1.00 74.13 C ATOM 766 CG LEU A 48 2.332 -2.448 0.967 1.00 40.03 C ATOM 767 CD1 LEU A 48 2.459 -1.350 -0.128 1.00 11.44 C ATOM 768 CD2 LEU A 48 2.948 -3.787 0.496 1.00 71.23 C ATOM 0 H LEU A 48 4.922 -3.567 2.206 1.00 31.33 H new ATOM 0 HA LEU A 48 4.560 -0.854 1.512 1.00 53.24 H new ATOM 0 HB2 LEU A 48 2.810 -2.794 3.057 1.00 74.13 H new ATOM 0 HB3 LEU A 48 2.309 -1.151 2.709 1.00 74.13 H new ATOM 0 HG LEU A 48 1.269 -2.623 1.130 1.00 40.03 H new ATOM 0 HD11 LEU A 48 2.039 -1.719 -1.064 1.00 11.44 H new ATOM 0 HD12 LEU A 48 1.916 -0.458 0.186 1.00 11.44 H new ATOM 0 HD13 LEU A 48 3.510 -1.102 -0.275 1.00 11.44 H new ATOM 0 HD21 LEU A 48 2.510 -4.073 -0.460 1.00 71.23 H new ATOM 0 HD22 LEU A 48 4.026 -3.671 0.381 1.00 71.23 H new ATOM 0 HD23 LEU A 48 2.743 -4.562 1.235 1.00 71.23 H new ATOM 780 N MET A 49 5.027 -1.536 4.732 1.00 42.21 N ATOM 781 CA MET A 49 5.297 -0.996 6.082 1.00 41.21 C ATOM 782 C MET A 49 6.530 -0.078 6.044 1.00 24.13 C ATOM 783 O MET A 49 6.456 1.095 6.413 1.00 21.41 O ATOM 784 CB MET A 49 5.542 -2.139 7.115 1.00 43.04 C ATOM 785 CG MET A 49 4.491 -3.255 7.139 1.00 71.55 C ATOM 786 SD MET A 49 4.954 -4.575 8.288 1.00 62.41 S ATOM 787 CE MET A 49 3.793 -5.877 7.881 1.00 52.32 C ATOM 0 H MET A 49 5.107 -2.551 4.675 1.00 42.21 H new ATOM 0 HA MET A 49 4.419 -0.430 6.393 1.00 41.21 H new ATOM 0 HB2 MET A 49 6.514 -2.586 6.909 1.00 43.04 H new ATOM 0 HB3 MET A 49 5.598 -1.698 8.110 1.00 43.04 H new ATOM 0 HG2 MET A 49 3.525 -2.841 7.429 1.00 71.55 H new ATOM 0 HG3 MET A 49 4.373 -3.668 6.137 1.00 71.55 H new ATOM 0 HE1 MET A 49 3.440 -6.350 8.798 1.00 52.32 H new ATOM 0 HE2 MET A 49 2.946 -5.453 7.342 1.00 52.32 H new ATOM 0 HE3 MET A 49 4.286 -6.621 7.255 1.00 52.32 H new ATOM 797 N VAL A 50 7.650 -0.633 5.545 1.00 24.34 N ATOM 798 CA VAL A 50 8.960 0.056 5.524 1.00 54.03 C ATOM 799 C VAL A 50 9.014 1.174 4.458 1.00 15.54 C ATOM 800 O VAL A 50 9.744 2.156 4.631 1.00 12.40 O ATOM 801 CB VAL A 50 10.146 -0.961 5.302 1.00 31.02 C ATOM 802 CG1 VAL A 50 10.079 -1.634 3.911 1.00 20.54 C ATOM 803 CG2 VAL A 50 11.530 -0.300 5.527 1.00 5.23 C ATOM 0 H VAL A 50 7.676 -1.571 5.145 1.00 24.34 H new ATOM 0 HA VAL A 50 9.078 0.520 6.503 1.00 54.03 H new ATOM 0 HB VAL A 50 10.026 -1.741 6.054 1.00 31.02 H new ATOM 0 HG11 VAL A 50 10.914 -2.326 3.801 1.00 20.54 H new ATOM 0 HG12 VAL A 50 9.140 -2.180 3.816 1.00 20.54 H new ATOM 0 HG13 VAL A 50 10.135 -0.871 3.135 1.00 20.54 H new ATOM 0 HG21 VAL A 50 12.316 -1.037 5.363 1.00 5.23 H new ATOM 0 HG22 VAL A 50 11.656 0.527 4.828 1.00 5.23 H new ATOM 0 HG23 VAL A 50 11.592 0.076 6.548 1.00 5.23 H new ATOM 813 N TYR A 51 8.228 1.018 3.372 1.00 11.55 N ATOM 814 CA TYR A 51 8.207 2.002 2.259 1.00 34.12 C ATOM 815 C TYR A 51 7.686 3.331 2.778 1.00 71.13 C ATOM 816 O TYR A 51 8.345 4.348 2.677 1.00 43.20 O ATOM 817 CB TYR A 51 7.301 1.539 1.086 1.00 32.41 C ATOM 818 CG TYR A 51 7.472 2.379 -0.201 1.00 31.22 C ATOM 819 CD1 TYR A 51 8.447 2.047 -1.141 1.00 40.03 C ATOM 820 CD2 TYR A 51 6.669 3.491 -0.461 1.00 24.31 C ATOM 821 CE1 TYR A 51 8.600 2.785 -2.298 1.00 30.45 C ATOM 822 CE2 TYR A 51 6.830 4.230 -1.614 1.00 63.44 C ATOM 823 CZ TYR A 51 7.788 3.874 -2.528 1.00 2.51 C ATOM 824 OH TYR A 51 7.928 4.598 -3.684 1.00 31.13 O ATOM 0 H TYR A 51 7.601 0.225 3.238 1.00 11.55 H new ATOM 0 HA TYR A 51 9.226 2.097 1.884 1.00 34.12 H new ATOM 0 HB2 TYR A 51 7.520 0.495 0.860 1.00 32.41 H new ATOM 0 HB3 TYR A 51 6.259 1.585 1.403 1.00 32.41 H new ATOM 0 HD1 TYR A 51 9.092 1.200 -0.961 1.00 40.03 H new ATOM 0 HD2 TYR A 51 5.910 3.777 0.252 1.00 24.31 H new ATOM 0 HE1 TYR A 51 9.354 2.509 -3.020 1.00 30.45 H new ATOM 0 HE2 TYR A 51 6.202 5.089 -1.797 1.00 63.44 H new ATOM 0 HH TYR A 51 7.279 5.332 -3.691 1.00 31.13 H new ATOM 834 N ILE A 52 6.485 3.256 3.349 1.00 22.43 N ATOM 835 CA ILE A 52 5.726 4.407 3.849 1.00 3.41 C ATOM 836 C ILE A 52 6.406 5.011 5.093 1.00 24.11 C ATOM 837 O ILE A 52 6.352 6.221 5.326 1.00 53.44 O ATOM 838 CB ILE A 52 4.265 3.942 4.155 1.00 25.05 C ATOM 839 CG1 ILE A 52 3.606 3.373 2.850 1.00 61.31 C ATOM 840 CG2 ILE A 52 3.427 5.084 4.746 1.00 53.54 C ATOM 841 CD1 ILE A 52 2.317 2.602 3.064 1.00 12.40 C ATOM 0 H ILE A 52 5.997 2.370 3.481 1.00 22.43 H new ATOM 0 HA ILE A 52 5.698 5.193 3.095 1.00 3.41 H new ATOM 0 HB ILE A 52 4.302 3.151 4.904 1.00 25.05 H new ATOM 0 HG12 ILE A 52 3.407 4.202 2.171 1.00 61.31 H new ATOM 0 HG13 ILE A 52 4.324 2.720 2.354 1.00 61.31 H new ATOM 0 HG21 ILE A 52 2.417 4.728 4.947 1.00 53.54 H new ATOM 0 HG22 ILE A 52 3.883 5.427 5.675 1.00 53.54 H new ATOM 0 HG23 ILE A 52 3.386 5.910 4.036 1.00 53.54 H new ATOM 0 HD11 ILE A 52 1.940 2.250 2.104 1.00 12.40 H new ATOM 0 HD12 ILE A 52 2.507 1.748 3.714 1.00 12.40 H new ATOM 0 HD13 ILE A 52 1.576 3.253 3.528 1.00 12.40 H new ATOM 853 N ARG A 53 7.059 4.136 5.866 1.00 72.51 N ATOM 854 CA ARG A 53 7.917 4.533 7.000 1.00 43.41 C ATOM 855 C ARG A 53 9.087 5.425 6.523 1.00 4.33 C ATOM 856 O ARG A 53 9.451 6.403 7.185 1.00 14.34 O ATOM 857 CB ARG A 53 8.459 3.267 7.703 1.00 73.30 C ATOM 858 CG ARG A 53 9.271 3.536 8.981 1.00 23.14 C ATOM 859 CD ARG A 53 9.757 2.243 9.653 1.00 74.14 C ATOM 860 NE ARG A 53 10.405 2.525 10.941 1.00 24.55 N ATOM 861 CZ ARG A 53 10.144 1.902 12.095 1.00 4.45 C ATOM 862 NH1 ARG A 53 9.233 0.933 12.159 1.00 25.31 N ATOM 863 NH2 ARG A 53 10.793 2.275 13.193 1.00 53.32 N ATOM 0 H ARG A 53 7.010 3.127 5.726 1.00 72.51 H new ATOM 0 HA ARG A 53 7.321 5.112 7.705 1.00 43.41 H new ATOM 0 HB2 ARG A 53 7.619 2.620 7.953 1.00 73.30 H new ATOM 0 HB3 ARG A 53 9.086 2.718 7.000 1.00 73.30 H new ATOM 0 HG2 ARG A 53 10.131 4.160 8.737 1.00 23.14 H new ATOM 0 HG3 ARG A 53 8.658 4.099 9.685 1.00 23.14 H new ATOM 0 HD2 ARG A 53 8.913 1.571 9.807 1.00 74.14 H new ATOM 0 HD3 ARG A 53 10.458 1.729 8.995 1.00 74.14 H new ATOM 0 HE ARG A 53 11.114 3.258 10.956 1.00 24.55 H new ATOM 0 HH11 ARG A 53 8.723 0.656 11.320 1.00 25.31 H new ATOM 0 HH12 ARG A 53 9.045 0.467 13.047 1.00 25.31 H new ATOM 0 HH21 ARG A 53 11.480 3.028 13.148 1.00 53.32 H new ATOM 0 HH22 ARG A 53 10.604 1.809 14.080 1.00 53.32 H new ATOM 877 N ASP A 54 9.663 5.064 5.364 1.00 53.45 N ATOM 878 CA ASP A 54 10.774 5.815 4.729 1.00 61.10 C ATOM 879 C ASP A 54 10.238 7.060 3.989 1.00 12.40 C ATOM 880 O ASP A 54 10.854 8.128 4.012 1.00 53.24 O ATOM 881 CB ASP A 54 11.548 4.880 3.756 1.00 23.21 C ATOM 882 CG ASP A 54 12.788 5.534 3.124 1.00 53.41 C ATOM 883 OD1 ASP A 54 13.850 5.569 3.780 1.00 30.13 O ATOM 884 OD2 ASP A 54 12.711 6.022 1.978 1.00 35.53 O ATOM 0 H ASP A 54 9.375 4.241 4.835 1.00 53.45 H new ATOM 0 HA ASP A 54 11.459 6.160 5.504 1.00 61.10 H new ATOM 0 HB2 ASP A 54 11.856 3.984 4.295 1.00 23.21 H new ATOM 0 HB3 ASP A 54 10.874 4.558 2.962 1.00 23.21 H new ATOM 889 N GLU A 55 9.056 6.905 3.383 1.00 20.31 N ATOM 890 CA GLU A 55 8.451 7.912 2.499 1.00 62.23 C ATOM 891 C GLU A 55 7.725 8.990 3.314 1.00 21.34 C ATOM 892 O GLU A 55 8.215 10.115 3.440 1.00 32.14 O ATOM 893 CB GLU A 55 7.499 7.198 1.490 1.00 14.51 C ATOM 894 CG GLU A 55 6.627 8.114 0.612 1.00 50.43 C ATOM 895 CD GLU A 55 7.413 9.118 -0.255 1.00 73.14 C ATOM 896 OE1 GLU A 55 7.961 8.711 -1.298 1.00 55.12 O ATOM 897 OE2 GLU A 55 7.465 10.322 0.090 1.00 41.40 O ATOM 0 H GLU A 55 8.484 6.067 3.493 1.00 20.31 H new ATOM 0 HA GLU A 55 9.231 8.423 1.935 1.00 62.23 H new ATOM 0 HB2 GLU A 55 8.103 6.570 0.835 1.00 14.51 H new ATOM 0 HB3 GLU A 55 6.841 6.534 2.051 1.00 14.51 H new ATOM 0 HG2 GLU A 55 6.015 7.492 -0.042 1.00 50.43 H new ATOM 0 HG3 GLU A 55 5.944 8.668 1.256 1.00 50.43 H new ATOM 904 N MET A 56 6.576 8.627 3.884 1.00 64.20 N ATOM 905 CA MET A 56 5.693 9.562 4.613 1.00 75.31 C ATOM 906 C MET A 56 5.957 9.529 6.130 1.00 25.32 C ATOM 907 O MET A 56 5.204 10.123 6.910 1.00 60.12 O ATOM 908 CB MET A 56 4.218 9.225 4.263 1.00 42.14 C ATOM 909 CG MET A 56 3.774 9.732 2.879 1.00 30.41 C ATOM 910 SD MET A 56 2.274 8.921 2.272 1.00 33.51 S ATOM 911 CE MET A 56 2.918 7.319 1.770 1.00 24.54 C ATOM 0 H MET A 56 6.222 7.671 3.857 1.00 64.20 H new ATOM 0 HA MET A 56 5.906 10.584 4.300 1.00 75.31 H new ATOM 0 HB2 MET A 56 4.083 8.144 4.304 1.00 42.14 H new ATOM 0 HB3 MET A 56 3.567 9.656 5.023 1.00 42.14 H new ATOM 0 HG2 MET A 56 3.603 10.807 2.931 1.00 30.41 H new ATOM 0 HG3 MET A 56 4.581 9.572 2.164 1.00 30.41 H new ATOM 0 HE1 MET A 56 2.947 7.263 0.682 1.00 24.54 H new ATOM 0 HE2 MET A 56 3.925 7.191 2.167 1.00 24.54 H new ATOM 0 HE3 MET A 56 2.273 6.530 2.157 1.00 24.54 H new ATOM 921 N GLY A 57 7.051 8.846 6.533 1.00 62.44 N ATOM 922 CA GLY A 57 7.517 8.836 7.924 1.00 73.34 C ATOM 923 C GLY A 57 6.578 8.137 8.897 1.00 74.14 C ATOM 924 O GLY A 57 6.656 8.371 10.107 1.00 52.35 O ATOM 0 H GLY A 57 7.628 8.291 5.901 1.00 62.44 H new ATOM 0 HA2 GLY A 57 8.491 8.349 7.965 1.00 73.34 H new ATOM 0 HA3 GLY A 57 7.662 9.865 8.253 1.00 73.34 H new ATOM 928 N VAL A 58 5.698 7.270 8.376 1.00 64.22 N ATOM 929 CA VAL A 58 4.677 6.578 9.186 1.00 51.14 C ATOM 930 C VAL A 58 4.645 5.081 8.811 1.00 50.13 C ATOM 931 O VAL A 58 4.514 4.732 7.642 1.00 55.23 O ATOM 932 CB VAL A 58 3.250 7.245 9.017 1.00 32.43 C ATOM 933 CG1 VAL A 58 2.827 7.362 7.531 1.00 53.11 C ATOM 934 CG2 VAL A 58 2.184 6.492 9.841 1.00 54.13 C ATOM 0 H VAL A 58 5.671 7.027 7.386 1.00 64.22 H new ATOM 0 HA VAL A 58 4.946 6.671 10.238 1.00 51.14 H new ATOM 0 HB VAL A 58 3.327 8.261 9.405 1.00 32.43 H new ATOM 0 HG11 VAL A 58 1.842 7.825 7.468 1.00 53.11 H new ATOM 0 HG12 VAL A 58 3.551 7.975 6.994 1.00 53.11 H new ATOM 0 HG13 VAL A 58 2.790 6.369 7.084 1.00 53.11 H new ATOM 0 HG21 VAL A 58 1.214 6.971 9.706 1.00 54.13 H new ATOM 0 HG22 VAL A 58 2.127 5.457 9.503 1.00 54.13 H new ATOM 0 HG23 VAL A 58 2.457 6.515 10.896 1.00 54.13 H new ATOM 944 N SER A 59 4.822 4.210 9.804 1.00 44.32 N ATOM 945 CA SER A 59 4.743 2.765 9.621 1.00 42.34 C ATOM 946 C SER A 59 3.407 2.278 10.178 1.00 5.44 C ATOM 947 O SER A 59 3.029 2.649 11.305 1.00 33.31 O ATOM 948 CB SER A 59 5.922 2.075 10.342 1.00 13.01 C ATOM 949 OG SER A 59 5.958 0.685 10.074 1.00 1.34 O ATOM 0 H SER A 59 5.025 4.491 10.763 1.00 44.32 H new ATOM 0 HA SER A 59 4.807 2.516 8.562 1.00 42.34 H new ATOM 0 HB2 SER A 59 6.860 2.531 10.025 1.00 13.01 H new ATOM 0 HB3 SER A 59 5.836 2.236 11.417 1.00 13.01 H new ATOM 0 HG SER A 59 6.717 0.281 10.544 1.00 1.34 H new ATOM 955 N ILE A 60 2.687 1.479 9.381 1.00 50.44 N ATOM 956 CA ILE A 60 1.440 0.834 9.812 1.00 2.13 C ATOM 957 C ILE A 60 1.754 -0.188 10.928 1.00 1.25 C ATOM 958 O ILE A 60 2.519 -1.132 10.686 1.00 43.43 O ATOM 959 CB ILE A 60 0.681 0.132 8.618 1.00 43.13 C ATOM 960 CG1 ILE A 60 0.250 1.198 7.550 1.00 13.33 C ATOM 961 CG2 ILE A 60 -0.538 -0.684 9.135 1.00 15.13 C ATOM 962 CD1 ILE A 60 -0.786 0.722 6.555 1.00 64.33 C ATOM 0 H ILE A 60 2.952 1.261 8.420 1.00 50.44 H new ATOM 0 HA ILE A 60 0.775 1.609 10.193 1.00 2.13 H new ATOM 0 HB ILE A 60 1.361 -0.573 8.138 1.00 43.13 H new ATOM 0 HG12 ILE A 60 -0.141 2.073 8.069 1.00 13.33 H new ATOM 0 HG13 ILE A 60 1.136 1.521 7.003 1.00 13.33 H new ATOM 0 HG21 ILE A 60 -1.043 -1.157 8.293 1.00 15.13 H new ATOM 0 HG22 ILE A 60 -0.194 -1.451 9.829 1.00 15.13 H new ATOM 0 HG23 ILE A 60 -1.232 -0.017 9.646 1.00 15.13 H new ATOM 0 HD11 ILE A 60 -1.019 1.528 5.859 1.00 64.33 H new ATOM 0 HD12 ILE A 60 -0.395 -0.133 6.003 1.00 64.33 H new ATOM 0 HD13 ILE A 60 -1.692 0.428 7.085 1.00 64.33 H new ATOM 974 N PRO A 61 1.188 0.007 12.169 1.00 41.32 N ATOM 975 CA PRO A 61 1.428 -0.906 13.311 1.00 74.13 C ATOM 976 C PRO A 61 0.879 -2.323 13.054 1.00 43.42 C ATOM 977 O PRO A 61 -0.005 -2.515 12.203 1.00 13.03 O ATOM 978 CB PRO A 61 0.691 -0.211 14.489 1.00 3.10 C ATOM 979 CG PRO A 61 -0.330 0.672 13.845 1.00 32.42 C ATOM 980 CD PRO A 61 0.290 1.138 12.551 1.00 75.53 C ATOM 0 HA PRO A 61 2.490 -1.060 13.503 1.00 74.13 H new ATOM 0 HB2 PRO A 61 0.221 -0.943 15.146 1.00 3.10 H new ATOM 0 HB3 PRO A 61 1.383 0.368 15.100 1.00 3.10 H new ATOM 0 HG2 PRO A 61 -1.257 0.129 13.662 1.00 32.42 H new ATOM 0 HG3 PRO A 61 -0.577 1.517 14.487 1.00 32.42 H new ATOM 0 HD2 PRO A 61 -0.466 1.326 11.788 1.00 75.53 H new ATOM 0 HD3 PRO A 61 0.847 2.066 12.684 1.00 75.53 H new ATOM 988 N SER A 62 1.396 -3.296 13.825 1.00 32.41 N ATOM 989 CA SER A 62 1.041 -4.722 13.689 1.00 1.30 C ATOM 990 C SER A 62 -0.464 -4.978 13.988 1.00 52.31 C ATOM 991 O SER A 62 -1.045 -5.957 13.509 1.00 32.30 O ATOM 992 CB SER A 62 1.971 -5.561 14.598 1.00 12.25 C ATOM 993 OG SER A 62 1.982 -5.071 15.934 1.00 63.43 O ATOM 0 H SER A 62 2.075 -3.115 14.564 1.00 32.41 H new ATOM 0 HA SER A 62 1.191 -5.030 12.654 1.00 1.30 H new ATOM 0 HB2 SER A 62 1.643 -6.600 14.594 1.00 12.25 H new ATOM 0 HB3 SER A 62 2.984 -5.545 14.196 1.00 12.25 H new ATOM 0 HG SER A 62 2.578 -5.625 16.481 1.00 63.43 H new ATOM 999 N THR A 63 -1.085 -4.064 14.757 1.00 11.13 N ATOM 1000 CA THR A 63 -2.532 -4.101 15.054 1.00 71.23 C ATOM 1001 C THR A 63 -3.387 -3.718 13.818 1.00 72.41 C ATOM 1002 O THR A 63 -4.506 -4.209 13.643 1.00 23.14 O ATOM 1003 CB THR A 63 -2.857 -3.165 16.267 1.00 2.34 C ATOM 1004 OG1 THR A 63 -4.249 -3.238 16.596 1.00 10.22 O ATOM 1005 CG2 THR A 63 -2.449 -1.701 16.008 1.00 12.23 C ATOM 0 H THR A 63 -0.599 -3.279 15.190 1.00 11.13 H new ATOM 0 HA THR A 63 -2.792 -5.126 15.317 1.00 71.23 H new ATOM 0 HB THR A 63 -2.266 -3.521 17.110 1.00 2.34 H new ATOM 0 HG1 THR A 63 -4.437 -2.649 17.357 1.00 10.22 H new ATOM 0 HG21 THR A 63 -2.696 -1.095 16.880 1.00 12.23 H new ATOM 0 HG22 THR A 63 -1.376 -1.650 15.823 1.00 12.23 H new ATOM 0 HG23 THR A 63 -2.986 -1.322 15.138 1.00 12.23 H new ATOM 1013 N HIS A 64 -2.835 -2.838 12.958 1.00 51.22 N ATOM 1014 CA HIS A 64 -3.495 -2.365 11.715 1.00 4.31 C ATOM 1015 C HIS A 64 -3.123 -3.235 10.508 1.00 25.02 C ATOM 1016 O HIS A 64 -3.570 -2.960 9.384 1.00 74.52 O ATOM 1017 CB HIS A 64 -3.155 -0.873 11.443 1.00 13.30 C ATOM 1018 CG HIS A 64 -4.039 0.123 12.148 1.00 72.24 C ATOM 1019 ND1 HIS A 64 -4.948 -0.208 13.133 1.00 45.21 N ATOM 1020 CD2 HIS A 64 -4.154 1.455 11.968 1.00 2.21 C ATOM 1021 CE1 HIS A 64 -5.581 0.879 13.521 1.00 32.02 C ATOM 1022 NE2 HIS A 64 -5.113 1.902 12.828 1.00 54.12 N ATOM 0 H HIS A 64 -1.912 -2.430 13.104 1.00 51.22 H new ATOM 0 HA HIS A 64 -4.571 -2.453 11.863 1.00 4.31 H new ATOM 0 HB2 HIS A 64 -2.122 -0.692 11.739 1.00 13.30 H new ATOM 0 HB3 HIS A 64 -3.215 -0.693 10.370 1.00 13.30 H new ATOM 0 HD2 HIS A 64 -3.590 2.057 11.271 1.00 2.21 H new ATOM 0 HE1 HIS A 64 -6.351 0.927 14.277 1.00 32.02 H new ATOM 0 HE2 HIS A 64 -5.420 2.870 12.921 1.00 54.12 H new ATOM 1031 N ILE A 65 -2.303 -4.280 10.727 1.00 13.24 N ATOM 1032 CA ILE A 65 -2.007 -5.249 9.669 1.00 70.11 C ATOM 1033 C ILE A 65 -3.195 -6.198 9.511 1.00 4.43 C ATOM 1034 O ILE A 65 -3.346 -7.180 10.253 1.00 24.01 O ATOM 1035 CB ILE A 65 -0.700 -6.068 9.926 1.00 42.12 C ATOM 1036 CG1 ILE A 65 0.522 -5.118 10.130 1.00 43.12 C ATOM 1037 CG2 ILE A 65 -0.455 -7.062 8.763 1.00 42.21 C ATOM 1038 CD1 ILE A 65 0.779 -4.140 8.999 1.00 64.13 C ATOM 0 H ILE A 65 -1.842 -4.469 11.617 1.00 13.24 H new ATOM 0 HA ILE A 65 -1.839 -4.684 8.752 1.00 70.11 H new ATOM 0 HB ILE A 65 -0.823 -6.642 10.844 1.00 42.12 H new ATOM 0 HG12 ILE A 65 0.372 -4.553 11.050 1.00 43.12 H new ATOM 0 HG13 ILE A 65 1.415 -5.727 10.272 1.00 43.12 H new ATOM 0 HG21 ILE A 65 0.458 -7.627 8.953 1.00 42.21 H new ATOM 0 HG22 ILE A 65 -1.298 -7.749 8.688 1.00 42.21 H new ATOM 0 HG23 ILE A 65 -0.352 -6.510 7.828 1.00 42.21 H new ATOM 0 HD11 ILE A 65 1.648 -3.527 9.238 1.00 64.13 H new ATOM 0 HD12 ILE A 65 0.966 -4.691 8.077 1.00 64.13 H new ATOM 0 HD13 ILE A 65 -0.092 -3.499 8.868 1.00 64.13 H new ATOM 1050 N THR A 66 -4.067 -5.848 8.567 1.00 42.33 N ATOM 1051 CA THR A 66 -5.219 -6.656 8.219 1.00 52.14 C ATOM 1052 C THR A 66 -5.576 -6.420 6.753 1.00 3.32 C ATOM 1053 O THR A 66 -5.398 -5.320 6.220 1.00 53.21 O ATOM 1054 CB THR A 66 -6.446 -6.397 9.154 1.00 44.14 C ATOM 1055 OG1 THR A 66 -7.630 -7.025 8.614 1.00 53.33 O ATOM 1056 CG2 THR A 66 -6.698 -4.894 9.379 1.00 11.43 C ATOM 0 H THR A 66 -3.987 -4.989 8.023 1.00 42.33 H new ATOM 0 HA THR A 66 -4.952 -7.703 8.365 1.00 52.14 H new ATOM 0 HB THR A 66 -6.213 -6.838 10.123 1.00 44.14 H new ATOM 0 HG1 THR A 66 -8.349 -6.996 9.280 1.00 53.33 H new ATOM 0 HG21 THR A 66 -7.559 -4.764 10.034 1.00 11.43 H new ATOM 0 HG22 THR A 66 -5.820 -4.443 9.840 1.00 11.43 H new ATOM 0 HG23 THR A 66 -6.894 -4.411 8.422 1.00 11.43 H new ATOM 1064 N GLY A 67 -6.085 -7.481 6.120 1.00 52.44 N ATOM 1065 CA GLY A 67 -6.440 -7.464 4.715 1.00 53.31 C ATOM 1066 C GLY A 67 -7.498 -6.432 4.349 1.00 32.50 C ATOM 1067 O GLY A 67 -7.577 -6.043 3.193 1.00 10.31 O ATOM 0 H GLY A 67 -6.260 -8.376 6.578 1.00 52.44 H new ATOM 0 HA2 GLY A 67 -5.542 -7.271 4.128 1.00 53.31 H new ATOM 0 HA3 GLY A 67 -6.800 -8.453 4.431 1.00 53.31 H new ATOM 1071 N LYS A 68 -8.313 -5.989 5.337 1.00 41.04 N ATOM 1072 CA LYS A 68 -9.371 -4.986 5.106 1.00 43.41 C ATOM 1073 C LYS A 68 -8.798 -3.559 4.980 1.00 72.12 C ATOM 1074 O LYS A 68 -9.425 -2.683 4.369 1.00 20.30 O ATOM 1075 CB LYS A 68 -10.479 -5.089 6.194 1.00 1.30 C ATOM 1076 CG LYS A 68 -10.026 -4.896 7.673 1.00 52.53 C ATOM 1077 CD LYS A 68 -9.897 -3.414 8.124 1.00 3.51 C ATOM 1078 CE LYS A 68 -11.222 -2.648 8.049 1.00 44.44 C ATOM 1079 NZ LYS A 68 -12.271 -3.250 8.911 1.00 62.35 N ATOM 0 H LYS A 68 -8.254 -6.314 6.302 1.00 41.04 H new ATOM 0 HA LYS A 68 -9.838 -5.208 4.146 1.00 43.41 H new ATOM 0 HB2 LYS A 68 -11.244 -4.345 5.972 1.00 1.30 H new ATOM 0 HB3 LYS A 68 -10.951 -6.068 6.107 1.00 1.30 H new ATOM 0 HG2 LYS A 68 -10.739 -5.400 8.326 1.00 52.53 H new ATOM 0 HG3 LYS A 68 -9.064 -5.389 7.811 1.00 52.53 H new ATOM 0 HD2 LYS A 68 -9.523 -3.383 9.147 1.00 3.51 H new ATOM 0 HD3 LYS A 68 -9.158 -2.913 7.499 1.00 3.51 H new ATOM 0 HE2 LYS A 68 -11.058 -1.613 8.349 1.00 44.44 H new ATOM 0 HE3 LYS A 68 -11.570 -2.629 7.016 1.00 44.44 H new ATOM 0 HZ1 LYS A 68 -13.115 -2.642 8.907 1.00 62.35 H new ATOM 0 HZ2 LYS A 68 -12.521 -4.192 8.547 1.00 62.35 H new ATOM 0 HZ3 LYS A 68 -11.913 -3.338 9.883 1.00 62.35 H new ATOM 1093 N TYR A 69 -7.622 -3.321 5.577 1.00 12.13 N ATOM 1094 CA TYR A 69 -6.898 -2.039 5.424 1.00 75.02 C ATOM 1095 C TYR A 69 -5.935 -2.097 4.231 1.00 43.34 C ATOM 1096 O TYR A 69 -5.570 -1.067 3.665 1.00 24.13 O ATOM 1097 CB TYR A 69 -6.117 -1.673 6.716 1.00 65.13 C ATOM 1098 CG TYR A 69 -6.970 -1.064 7.856 1.00 43.30 C ATOM 1099 CD1 TYR A 69 -8.023 -0.179 7.580 1.00 70.22 C ATOM 1100 CD2 TYR A 69 -6.706 -1.349 9.196 1.00 30.05 C ATOM 1101 CE1 TYR A 69 -8.773 0.386 8.589 1.00 44.11 C ATOM 1102 CE2 TYR A 69 -7.458 -0.784 10.212 1.00 14.34 C ATOM 1103 CZ TYR A 69 -8.488 0.082 9.898 1.00 51.34 C ATOM 1104 OH TYR A 69 -9.252 0.646 10.897 1.00 32.21 O ATOM 0 H TYR A 69 -7.146 -3.998 6.173 1.00 12.13 H new ATOM 0 HA TYR A 69 -7.642 -1.264 5.241 1.00 75.02 H new ATOM 0 HB2 TYR A 69 -5.627 -2.572 7.091 1.00 65.13 H new ATOM 0 HB3 TYR A 69 -5.329 -0.966 6.456 1.00 65.13 H new ATOM 0 HD1 TYR A 69 -8.251 0.065 6.553 1.00 70.22 H new ATOM 0 HD2 TYR A 69 -5.900 -2.023 9.445 1.00 30.05 H new ATOM 0 HE1 TYR A 69 -9.580 1.064 8.352 1.00 44.11 H new ATOM 0 HE2 TYR A 69 -7.241 -1.019 11.244 1.00 14.34 H new ATOM 0 HH TYR A 69 -8.931 0.335 11.769 1.00 32.21 H new ATOM 1114 N PHE A 70 -5.516 -3.314 3.870 1.00 64.12 N ATOM 1115 CA PHE A 70 -4.535 -3.560 2.793 1.00 43.15 C ATOM 1116 C PHE A 70 -5.200 -4.103 1.510 1.00 31.52 C ATOM 1117 O PHE A 70 -4.491 -4.586 0.619 1.00 55.04 O ATOM 1118 CB PHE A 70 -3.438 -4.542 3.309 1.00 55.44 C ATOM 1119 CG PHE A 70 -2.381 -3.918 4.232 1.00 72.04 C ATOM 1120 CD1 PHE A 70 -2.652 -3.676 5.578 1.00 62.05 C ATOM 1121 CD2 PHE A 70 -1.113 -3.590 3.744 1.00 53.44 C ATOM 1122 CE1 PHE A 70 -1.694 -3.124 6.401 1.00 72.54 C ATOM 1123 CE2 PHE A 70 -0.155 -3.042 4.573 1.00 3.04 C ATOM 1124 CZ PHE A 70 -0.444 -2.813 5.898 1.00 20.15 C ATOM 0 H PHE A 70 -5.848 -4.168 4.318 1.00 64.12 H new ATOM 0 HA PHE A 70 -4.077 -2.608 2.526 1.00 43.15 H new ATOM 0 HB2 PHE A 70 -3.926 -5.358 3.842 1.00 55.44 H new ATOM 0 HB3 PHE A 70 -2.932 -4.980 2.449 1.00 55.44 H new ATOM 0 HD1 PHE A 70 -3.623 -3.924 5.980 1.00 62.05 H new ATOM 0 HD2 PHE A 70 -0.880 -3.768 2.705 1.00 53.44 H new ATOM 0 HE1 PHE A 70 -1.920 -2.934 7.440 1.00 72.54 H new ATOM 0 HE2 PHE A 70 0.820 -2.793 4.182 1.00 3.04 H new ATOM 0 HZ PHE A 70 0.308 -2.389 6.548 1.00 20.15 H new ATOM 1134 N LYS A 71 -6.556 -3.994 1.407 1.00 31.24 N ATOM 1135 CA LYS A 71 -7.332 -4.546 0.251 1.00 11.11 C ATOM 1136 C LYS A 71 -6.740 -4.112 -1.089 1.00 73.01 C ATOM 1137 O LYS A 71 -6.452 -4.942 -1.926 1.00 32.12 O ATOM 1138 CB LYS A 71 -8.820 -4.113 0.291 1.00 22.12 C ATOM 1139 CG LYS A 71 -9.595 -4.572 1.524 1.00 72.35 C ATOM 1140 CD LYS A 71 -11.068 -4.092 1.577 1.00 4.03 C ATOM 1141 CE LYS A 71 -11.224 -2.557 1.588 1.00 44.53 C ATOM 1142 NZ LYS A 71 -11.177 -1.971 0.218 1.00 4.13 N ATOM 0 H LYS A 71 -7.135 -3.531 2.107 1.00 31.24 H new ATOM 0 HA LYS A 71 -7.269 -5.630 0.343 1.00 11.11 H new ATOM 0 HB2 LYS A 71 -8.867 -3.025 0.235 1.00 22.12 H new ATOM 0 HB3 LYS A 71 -9.319 -4.500 -0.598 1.00 22.12 H new ATOM 0 HG2 LYS A 71 -9.580 -5.661 1.561 1.00 72.35 H new ATOM 0 HG3 LYS A 71 -9.078 -4.215 2.415 1.00 72.35 H new ATOM 0 HD2 LYS A 71 -11.603 -4.496 0.717 1.00 4.03 H new ATOM 0 HD3 LYS A 71 -11.542 -4.502 2.469 1.00 4.03 H new ATOM 0 HE2 LYS A 71 -12.171 -2.294 2.060 1.00 44.53 H new ATOM 0 HE3 LYS A 71 -10.432 -2.118 2.195 1.00 44.53 H new ATOM 0 HZ1 LYS A 71 -10.784 -1.009 0.265 1.00 4.13 H new ATOM 0 HZ2 LYS A 71 -10.576 -2.561 -0.392 1.00 4.13 H new ATOM 0 HZ3 LYS A 71 -12.139 -1.933 -0.176 1.00 4.13 H new ATOM 1156 N ASP A 72 -6.520 -2.798 -1.223 1.00 41.12 N ATOM 1157 CA ASP A 72 -6.099 -2.136 -2.474 1.00 64.51 C ATOM 1158 C ASP A 72 -5.349 -0.845 -2.130 1.00 33.44 C ATOM 1159 O ASP A 72 -5.086 -0.587 -0.950 1.00 21.10 O ATOM 1160 CB ASP A 72 -7.336 -1.857 -3.366 1.00 12.12 C ATOM 1161 CG ASP A 72 -8.427 -1.017 -2.677 1.00 41.14 C ATOM 1162 OD1 ASP A 72 -9.189 -1.564 -1.846 1.00 51.23 O ATOM 1163 OD2 ASP A 72 -8.556 0.170 -2.987 1.00 43.25 O ATOM 0 H ASP A 72 -6.631 -2.145 -0.447 1.00 41.12 H new ATOM 0 HA ASP A 72 -5.428 -2.786 -3.036 1.00 64.51 H new ATOM 0 HB2 ASP A 72 -7.011 -1.341 -4.270 1.00 12.12 H new ATOM 0 HB3 ASP A 72 -7.767 -2.808 -3.679 1.00 12.12 H new ATOM 1168 N LEU A 73 -4.986 -0.039 -3.150 1.00 62.35 N ATOM 1169 CA LEU A 73 -4.263 1.233 -2.916 1.00 11.24 C ATOM 1170 C LEU A 73 -5.154 2.229 -2.158 1.00 4.31 C ATOM 1171 O LEU A 73 -4.673 2.934 -1.273 1.00 51.53 O ATOM 1172 CB LEU A 73 -3.762 1.908 -4.219 1.00 70.43 C ATOM 1173 CG LEU A 73 -3.007 3.269 -3.998 1.00 20.24 C ATOM 1174 CD1 LEU A 73 -1.632 3.040 -3.331 1.00 62.13 C ATOM 1175 CD2 LEU A 73 -2.882 4.088 -5.299 1.00 43.33 C ATOM 0 H LEU A 73 -5.178 -0.241 -4.131 1.00 62.35 H new ATOM 0 HA LEU A 73 -3.388 0.968 -2.323 1.00 11.24 H new ATOM 0 HB2 LEU A 73 -3.097 1.218 -4.738 1.00 70.43 H new ATOM 0 HB3 LEU A 73 -4.615 2.082 -4.874 1.00 70.43 H new ATOM 0 HG LEU A 73 -3.613 3.865 -3.316 1.00 20.24 H new ATOM 0 HD11 LEU A 73 -1.132 3.998 -3.190 1.00 62.13 H new ATOM 0 HD12 LEU A 73 -1.773 2.558 -2.363 1.00 62.13 H new ATOM 0 HD13 LEU A 73 -1.020 2.402 -3.968 1.00 62.13 H new ATOM 0 HD21 LEU A 73 -2.353 5.019 -5.094 1.00 43.33 H new ATOM 0 HD22 LEU A 73 -2.328 3.512 -6.040 1.00 43.33 H new ATOM 0 HD23 LEU A 73 -3.877 4.313 -5.684 1.00 43.33 H new ATOM 1187 N ASN A 74 -6.447 2.277 -2.516 1.00 10.13 N ATOM 1188 CA ASN A 74 -7.405 3.216 -1.903 1.00 61.11 C ATOM 1189 C ASN A 74 -7.771 2.779 -0.480 1.00 15.45 C ATOM 1190 O ASN A 74 -8.108 3.620 0.351 1.00 41.03 O ATOM 1191 CB ASN A 74 -8.679 3.356 -2.758 1.00 61.23 C ATOM 1192 CG ASN A 74 -8.428 3.905 -4.154 1.00 30.24 C ATOM 1193 OD1 ASN A 74 -7.507 4.696 -4.373 1.00 10.30 O ATOM 1194 ND2 ASN A 74 -9.247 3.490 -5.106 1.00 73.54 N ATOM 0 H ASN A 74 -6.856 1.674 -3.230 1.00 10.13 H new ATOM 0 HA ASN A 74 -6.917 4.190 -1.853 1.00 61.11 H new ATOM 0 HB2 ASN A 74 -9.157 2.380 -2.843 1.00 61.23 H new ATOM 0 HB3 ASN A 74 -9.381 4.011 -2.242 1.00 61.23 H new ATOM 0 HD21 ASN A 74 -9.129 3.825 -6.062 1.00 73.54 H new ATOM 0 HD22 ASN A 74 -9.997 2.835 -4.884 1.00 73.54 H new ATOM 1201 N ALA A 75 -7.712 1.467 -0.203 1.00 70.34 N ATOM 1202 CA ALA A 75 -7.868 0.955 1.177 1.00 23.41 C ATOM 1203 C ALA A 75 -6.689 1.414 2.052 1.00 60.22 C ATOM 1204 O ALA A 75 -6.883 1.940 3.157 1.00 55.30 O ATOM 1205 CB ALA A 75 -7.988 -0.572 1.174 1.00 74.21 C ATOM 0 H ALA A 75 -7.559 0.744 -0.906 1.00 70.34 H new ATOM 0 HA ALA A 75 -8.786 1.363 1.600 1.00 23.41 H new ATOM 0 HB1 ALA A 75 -8.102 -0.930 2.197 1.00 74.21 H new ATOM 0 HB2 ALA A 75 -8.858 -0.867 0.587 1.00 74.21 H new ATOM 0 HB3 ALA A 75 -7.090 -1.007 0.735 1.00 74.21 H new ATOM 1211 N ILE A 76 -5.473 1.212 1.519 1.00 64.35 N ATOM 1212 CA ILE A 76 -4.215 1.680 2.131 1.00 32.33 C ATOM 1213 C ILE A 76 -4.202 3.210 2.214 1.00 51.22 C ATOM 1214 O ILE A 76 -3.646 3.754 3.149 1.00 41.53 O ATOM 1215 CB ILE A 76 -2.959 1.139 1.339 1.00 1.50 C ATOM 1216 CG1 ILE A 76 -2.886 -0.419 1.453 1.00 15.25 C ATOM 1217 CG2 ILE A 76 -1.635 1.792 1.823 1.00 3.55 C ATOM 1218 CD1 ILE A 76 -1.782 -1.083 0.647 1.00 52.04 C ATOM 0 H ILE A 76 -5.332 0.713 0.640 1.00 64.35 H new ATOM 0 HA ILE A 76 -4.157 1.282 3.144 1.00 32.33 H new ATOM 0 HB ILE A 76 -3.082 1.415 0.292 1.00 1.50 H new ATOM 0 HG12 ILE A 76 -2.755 -0.683 2.502 1.00 15.25 H new ATOM 0 HG13 ILE A 76 -3.843 -0.834 1.137 1.00 15.25 H new ATOM 0 HG21 ILE A 76 -0.800 1.389 1.250 1.00 3.55 H new ATOM 0 HG22 ILE A 76 -1.687 2.871 1.678 1.00 3.55 H new ATOM 0 HG23 ILE A 76 -1.488 1.575 2.881 1.00 3.55 H new ATOM 0 HD11 ILE A 76 -1.821 -2.162 0.797 1.00 52.04 H new ATOM 0 HD12 ILE A 76 -1.919 -0.859 -0.411 1.00 52.04 H new ATOM 0 HD13 ILE A 76 -0.814 -0.705 0.976 1.00 52.04 H new ATOM 1230 N SER A 77 -4.882 3.878 1.260 1.00 23.43 N ATOM 1231 CA SER A 77 -4.992 5.354 1.225 1.00 52.32 C ATOM 1232 C SER A 77 -5.671 5.853 2.494 1.00 60.21 C ATOM 1233 O SER A 77 -5.143 6.707 3.192 1.00 33.41 O ATOM 1234 CB SER A 77 -5.784 5.824 -0.026 1.00 0.13 C ATOM 1235 OG SER A 77 -5.991 7.226 -0.046 1.00 42.21 O ATOM 0 H SER A 77 -5.369 3.413 0.494 1.00 23.43 H new ATOM 0 HA SER A 77 -3.987 5.772 1.166 1.00 52.32 H new ATOM 0 HB2 SER A 77 -5.244 5.527 -0.925 1.00 0.13 H new ATOM 0 HB3 SER A 77 -6.749 5.318 -0.052 1.00 0.13 H new ATOM 0 HG SER A 77 -6.865 7.422 -0.444 1.00 42.21 H new ATOM 1241 N ARG A 78 -6.828 5.263 2.807 1.00 65.01 N ATOM 1242 CA ARG A 78 -7.640 5.699 3.958 1.00 42.30 C ATOM 1243 C ARG A 78 -6.905 5.422 5.261 1.00 4.01 C ATOM 1244 O ARG A 78 -6.976 6.214 6.201 1.00 63.04 O ATOM 1245 CB ARG A 78 -9.021 5.012 3.949 1.00 54.33 C ATOM 1246 CG ARG A 78 -9.767 5.138 2.608 1.00 51.45 C ATOM 1247 CD ARG A 78 -9.746 6.564 2.020 1.00 74.51 C ATOM 1248 NE ARG A 78 -10.494 7.540 2.836 1.00 33.33 N ATOM 1249 CZ ARG A 78 -10.464 8.870 2.644 1.00 71.44 C ATOM 1250 NH1 ARG A 78 -9.729 9.393 1.666 1.00 43.14 N ATOM 1251 NH2 ARG A 78 -11.182 9.671 3.424 1.00 2.12 N ATOM 0 H ARG A 78 -7.227 4.484 2.284 1.00 65.01 H new ATOM 0 HA ARG A 78 -7.801 6.774 3.876 1.00 42.30 H new ATOM 0 HB2 ARG A 78 -8.893 3.956 4.185 1.00 54.33 H new ATOM 0 HB3 ARG A 78 -9.636 5.443 4.739 1.00 54.33 H new ATOM 0 HG2 ARG A 78 -9.322 4.451 1.888 1.00 51.45 H new ATOM 0 HG3 ARG A 78 -10.802 4.827 2.747 1.00 51.45 H new ATOM 0 HD2 ARG A 78 -8.712 6.896 1.925 1.00 74.51 H new ATOM 0 HD3 ARG A 78 -10.167 6.542 1.015 1.00 74.51 H new ATOM 0 HE ARG A 78 -11.072 7.182 3.596 1.00 33.33 H new ATOM 0 HH11 ARG A 78 -9.184 8.784 1.056 1.00 43.14 H new ATOM 0 HH12 ARG A 78 -9.711 10.403 1.526 1.00 43.14 H new ATOM 0 HH21 ARG A 78 -11.756 9.277 4.169 1.00 2.12 H new ATOM 0 HH22 ARG A 78 -11.159 10.680 3.278 1.00 2.12 H new ATOM 1265 N THR A 79 -6.164 4.311 5.266 1.00 0.52 N ATOM 1266 CA THR A 79 -5.376 3.885 6.421 1.00 61.34 C ATOM 1267 C THR A 79 -4.145 4.781 6.624 1.00 35.33 C ATOM 1268 O THR A 79 -3.858 5.197 7.740 1.00 71.34 O ATOM 1269 CB THR A 79 -4.931 2.399 6.270 1.00 74.11 C ATOM 1270 OG1 THR A 79 -6.064 1.609 5.881 1.00 21.42 O ATOM 1271 CG2 THR A 79 -4.340 1.835 7.581 1.00 52.41 C ATOM 0 H THR A 79 -6.095 3.681 4.466 1.00 0.52 H new ATOM 0 HA THR A 79 -6.014 3.977 7.300 1.00 61.34 H new ATOM 0 HB THR A 79 -4.151 2.356 5.510 1.00 74.11 H new ATOM 0 HG1 THR A 79 -6.428 1.150 6.667 1.00 21.42 H new ATOM 0 HG21 THR A 79 -4.043 0.797 7.430 1.00 52.41 H new ATOM 0 HG22 THR A 79 -3.469 2.423 7.870 1.00 52.41 H new ATOM 0 HG23 THR A 79 -5.090 1.886 8.370 1.00 52.41 H new ATOM 1279 N VAL A 80 -3.460 5.121 5.535 1.00 23.00 N ATOM 1280 CA VAL A 80 -2.172 5.819 5.605 1.00 50.43 C ATOM 1281 C VAL A 80 -2.386 7.315 5.894 1.00 23.22 C ATOM 1282 O VAL A 80 -1.603 7.925 6.621 1.00 14.51 O ATOM 1283 CB VAL A 80 -1.316 5.604 4.295 1.00 3.04 C ATOM 1284 CG1 VAL A 80 -1.890 6.337 3.066 1.00 31.23 C ATOM 1285 CG2 VAL A 80 0.143 5.996 4.522 1.00 34.22 C ATOM 0 H VAL A 80 -3.776 4.924 4.585 1.00 23.00 H new ATOM 0 HA VAL A 80 -1.604 5.388 6.429 1.00 50.43 H new ATOM 0 HB VAL A 80 -1.366 4.538 4.073 1.00 3.04 H new ATOM 0 HG11 VAL A 80 -1.255 6.148 2.200 1.00 31.23 H new ATOM 0 HG12 VAL A 80 -2.897 5.974 2.863 1.00 31.23 H new ATOM 0 HG13 VAL A 80 -1.924 7.408 3.264 1.00 31.23 H new ATOM 0 HG21 VAL A 80 0.709 5.838 3.604 1.00 34.22 H new ATOM 0 HG22 VAL A 80 0.197 7.047 4.806 1.00 34.22 H new ATOM 0 HG23 VAL A 80 0.565 5.383 5.319 1.00 34.22 H new ATOM 1295 N GLU A 81 -3.484 7.880 5.362 1.00 63.42 N ATOM 1296 CA GLU A 81 -3.792 9.311 5.516 1.00 30.52 C ATOM 1297 C GLU A 81 -4.401 9.565 6.895 1.00 33.42 C ATOM 1298 O GLU A 81 -4.161 10.622 7.495 1.00 65.20 O ATOM 1299 CB GLU A 81 -4.728 9.810 4.380 1.00 62.02 C ATOM 1300 CG GLU A 81 -4.150 9.595 2.966 1.00 22.03 C ATOM 1301 CD GLU A 81 -5.088 10.054 1.840 1.00 31.22 C ATOM 1302 OE1 GLU A 81 -6.205 9.501 1.733 1.00 30.03 O ATOM 1303 OE2 GLU A 81 -4.716 10.943 1.038 1.00 74.50 O ATOM 0 H GLU A 81 -4.176 7.363 4.819 1.00 63.42 H new ATOM 0 HA GLU A 81 -2.865 9.879 5.438 1.00 30.52 H new ATOM 0 HB2 GLU A 81 -5.685 9.293 4.455 1.00 62.02 H new ATOM 0 HB3 GLU A 81 -4.927 10.872 4.525 1.00 62.02 H new ATOM 0 HG2 GLU A 81 -3.206 10.134 2.883 1.00 22.03 H new ATOM 0 HG3 GLU A 81 -3.926 8.537 2.832 1.00 22.03 H new ATOM 1310 N GLN A 82 -5.172 8.578 7.411 1.00 14.14 N ATOM 1311 CA GLN A 82 -5.732 8.670 8.770 1.00 31.53 C ATOM 1312 C GLN A 82 -4.587 8.627 9.789 1.00 3.44 C ATOM 1313 O GLN A 82 -4.560 9.431 10.706 1.00 22.11 O ATOM 1314 CB GLN A 82 -6.814 7.577 9.061 1.00 44.13 C ATOM 1315 CG GLN A 82 -6.306 6.167 9.416 1.00 20.31 C ATOM 1316 CD GLN A 82 -7.417 5.190 9.799 1.00 22.32 C ATOM 1317 OE1 GLN A 82 -7.978 4.492 8.952 1.00 34.33 O ATOM 1318 NE2 GLN A 82 -7.767 5.165 11.073 1.00 54.03 N ATOM 0 H GLN A 82 -5.415 7.723 6.911 1.00 14.14 H new ATOM 0 HA GLN A 82 -6.257 9.621 8.857 1.00 31.53 H new ATOM 0 HB2 GLN A 82 -7.438 7.929 9.882 1.00 44.13 H new ATOM 0 HB3 GLN A 82 -7.457 7.495 8.184 1.00 44.13 H new ATOM 0 HG2 GLN A 82 -5.757 5.764 8.565 1.00 20.31 H new ATOM 0 HG3 GLN A 82 -5.600 6.243 10.243 1.00 20.31 H new ATOM 0 HE21 GLN A 82 -7.281 5.756 11.747 1.00 54.03 H new ATOM 0 HE22 GLN A 82 -8.523 4.554 11.382 1.00 54.03 H new ATOM 1327 N LEU A 83 -3.594 7.740 9.551 1.00 31.04 N ATOM 1328 CA LEU A 83 -2.427 7.574 10.448 1.00 31.35 C ATOM 1329 C LEU A 83 -1.563 8.834 10.494 1.00 44.44 C ATOM 1330 O LEU A 83 -1.047 9.176 11.549 1.00 64.12 O ATOM 1331 CB LEU A 83 -1.567 6.358 10.031 1.00 40.31 C ATOM 1332 CG LEU A 83 -2.186 4.956 10.295 1.00 75.53 C ATOM 1333 CD1 LEU A 83 -1.276 3.850 9.724 1.00 15.24 C ATOM 1334 CD2 LEU A 83 -2.447 4.738 11.800 1.00 34.34 C ATOM 0 H LEU A 83 -3.578 7.124 8.738 1.00 31.04 H new ATOM 0 HA LEU A 83 -2.822 7.396 11.448 1.00 31.35 H new ATOM 0 HB2 LEU A 83 -1.349 6.441 8.966 1.00 40.31 H new ATOM 0 HB3 LEU A 83 -0.614 6.416 10.557 1.00 40.31 H new ATOM 0 HG LEU A 83 -3.147 4.906 9.784 1.00 75.53 H new ATOM 0 HD11 LEU A 83 -1.723 2.875 9.917 1.00 15.24 H new ATOM 0 HD12 LEU A 83 -1.163 3.991 8.649 1.00 15.24 H new ATOM 0 HD13 LEU A 83 -0.298 3.901 10.202 1.00 15.24 H new ATOM 0 HD21 LEU A 83 -2.880 3.750 11.955 1.00 34.34 H new ATOM 0 HD22 LEU A 83 -1.507 4.812 12.347 1.00 34.34 H new ATOM 0 HD23 LEU A 83 -3.139 5.498 12.163 1.00 34.34 H new ATOM 1346 N LYS A 84 -1.406 9.505 9.339 1.00 32.22 N ATOM 1347 CA LYS A 84 -0.674 10.793 9.265 1.00 63.12 C ATOM 1348 C LYS A 84 -1.455 11.913 9.982 1.00 73.43 C ATOM 1349 O LYS A 84 -0.851 12.845 10.515 1.00 61.54 O ATOM 1350 CB LYS A 84 -0.352 11.179 7.792 1.00 32.34 C ATOM 1351 CG LYS A 84 0.592 10.192 7.082 1.00 11.41 C ATOM 1352 CD LYS A 84 1.005 10.603 5.639 1.00 72.04 C ATOM 1353 CE LYS A 84 -0.167 10.666 4.628 1.00 70.01 C ATOM 1354 NZ LYS A 84 -0.905 11.964 4.670 1.00 50.41 N ATOM 0 H LYS A 84 -1.773 9.182 8.444 1.00 32.22 H new ATOM 0 HA LYS A 84 0.277 10.666 9.783 1.00 63.12 H new ATOM 0 HB2 LYS A 84 -1.284 11.243 7.231 1.00 32.34 H new ATOM 0 HB3 LYS A 84 0.098 12.172 7.777 1.00 32.34 H new ATOM 0 HG2 LYS A 84 1.494 10.078 7.684 1.00 11.41 H new ATOM 0 HG3 LYS A 84 0.110 9.215 7.042 1.00 11.41 H new ATOM 0 HD2 LYS A 84 1.488 11.579 5.677 1.00 72.04 H new ATOM 0 HD3 LYS A 84 1.747 9.894 5.272 1.00 72.04 H new ATOM 0 HE2 LYS A 84 0.220 10.507 3.621 1.00 70.01 H new ATOM 0 HE3 LYS A 84 -0.862 9.852 4.835 1.00 70.01 H new ATOM 0 HZ1 LYS A 84 -1.921 11.782 4.797 1.00 50.41 H new ATOM 0 HZ2 LYS A 84 -0.554 12.537 5.464 1.00 50.41 H new ATOM 0 HZ3 LYS A 84 -0.754 12.478 3.779 1.00 50.41 H new ATOM 1368 N ALA A 85 -2.792 11.784 10.019 1.00 15.24 N ATOM 1369 CA ALA A 85 -3.666 12.723 10.746 1.00 12.23 C ATOM 1370 C ALA A 85 -3.570 12.484 12.268 1.00 11.01 C ATOM 1371 O ALA A 85 -3.583 13.437 13.060 1.00 32.33 O ATOM 1372 CB ALA A 85 -5.118 12.583 10.258 1.00 21.21 C ATOM 0 H ALA A 85 -3.296 11.031 9.549 1.00 15.24 H new ATOM 0 HA ALA A 85 -3.333 13.741 10.543 1.00 12.23 H new ATOM 0 HB1 ALA A 85 -5.754 13.281 10.802 1.00 21.21 H new ATOM 0 HB2 ALA A 85 -5.166 12.804 9.192 1.00 21.21 H new ATOM 0 HB3 ALA A 85 -5.464 11.565 10.434 1.00 21.21 H new ATOM 1378 N GLU A 86 -3.456 11.197 12.662 1.00 74.43 N ATOM 1379 CA GLU A 86 -3.362 10.802 14.083 1.00 20.53 C ATOM 1380 C GLU A 86 -1.950 11.074 14.626 1.00 23.03 C ATOM 1381 O GLU A 86 -1.773 11.366 15.813 1.00 0.43 O ATOM 1382 CB GLU A 86 -3.721 9.303 14.276 1.00 50.44 C ATOM 1383 CG GLU A 86 -5.071 8.858 13.674 1.00 72.04 C ATOM 1384 CD GLU A 86 -6.275 9.728 14.080 1.00 44.24 C ATOM 1385 OE1 GLU A 86 -6.547 10.741 13.404 1.00 65.25 O ATOM 1386 OE2 GLU A 86 -6.968 9.395 15.056 1.00 63.54 O ATOM 0 H GLU A 86 -3.427 10.411 12.012 1.00 74.43 H new ATOM 0 HA GLU A 86 -4.081 11.402 14.641 1.00 20.53 H new ATOM 0 HB2 GLU A 86 -2.929 8.698 13.834 1.00 50.44 H new ATOM 0 HB3 GLU A 86 -3.730 9.085 15.344 1.00 50.44 H new ATOM 0 HG2 GLU A 86 -4.987 8.862 12.587 1.00 72.04 H new ATOM 0 HG3 GLU A 86 -5.266 7.829 13.975 1.00 72.04 H new