USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 597 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLN : amide:sc= 0.22 K(o=0.22,f=-3.8!) USER MOD Single : A 1 GLN N :NH3+ 174:sc= -0.311 (180deg=-0.323) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0169) USER MOD Single : A 5 TYR OH : rot 150:sc= 0 USER MOD Single : A 7 TYR OH : rot -31:sc= 0.744 USER MOD Single : A 9 SER OG : rot 180:sc= -1.44! USER MOD Single : A 13 THR OG1 : rot -25:sc= 0.171 USER MOD Single : A 14 ASN : amide:sc= -4.88! C(o=-4.9!,f=-8.7!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 32 HIS : no HE2:sc= 0.293 K(o=0.29,f=-4.4!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 39 GLN : amide:sc= -1.86 K(o=-1.9,f=-4!) USER MOD Single : A 44 MET CE :methyl 142:sc= -5.38! (180deg=-8.84!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0411 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.17! C(o=-2.2!,f=-2.8!) USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= -2.58 (180deg=-4.32!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= -0.0268 (180deg=-0.241) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.401 0.222 -0.021 1.00 41.31 N ATOM 2 CA GLN A 1 2.378 0.030 -1.086 1.00 25.42 C ATOM 3 C GLN A 1 2.108 -1.265 -1.845 1.00 25.42 C ATOM 4 O GLN A 1 2.232 -1.317 -3.069 1.00 1.42 O ATOM 5 CB GLN A 1 3.795 0.011 -0.509 1.00 62.22 C ATOM 6 CG GLN A 1 3.937 -0.862 0.727 1.00 22.13 C ATOM 7 CD GLN A 1 5.381 -1.035 1.157 1.00 14.21 C ATOM 8 OE1 GLN A 1 6.267 -0.312 0.701 1.00 60.13 O ATOM 9 NE2 GLN A 1 5.625 -1.996 2.040 1.00 33.02 N ATOM 0 H1 GLN A 1 1.663 1.054 0.545 1.00 41.31 H new ATOM 0 H2 GLN A 1 0.459 0.369 -0.436 1.00 41.31 H new ATOM 0 H3 GLN A 1 1.383 -0.620 0.589 1.00 41.31 H new ATOM 0 HA GLN A 1 2.288 0.864 -1.783 1.00 25.42 H new ATOM 0 HB2 GLN A 1 4.485 -0.343 -1.275 1.00 62.22 H new ATOM 0 HB3 GLN A 1 4.090 1.030 -0.260 1.00 62.22 H new ATOM 0 HG2 GLN A 1 3.368 -0.421 1.546 1.00 22.13 H new ATOM 0 HG3 GLN A 1 3.502 -1.841 0.528 1.00 22.13 H new ATOM 0 HE21 GLN A 1 4.860 -2.572 2.392 1.00 33.02 H new ATOM 0 HE22 GLN A 1 6.577 -2.158 2.367 1.00 33.02 H new ATOM 18 N TYR A 2 1.740 -2.309 -1.111 1.00 32.31 N ATOM 19 CA TYR A 2 1.455 -3.606 -1.715 1.00 0.43 C ATOM 20 C TYR A 2 0.409 -4.365 -0.905 1.00 75.53 C ATOM 21 O TYR A 2 -0.116 -3.858 0.086 1.00 21.14 O ATOM 22 CB TYR A 2 2.736 -4.435 -1.820 1.00 32.23 C ATOM 23 CG TYR A 2 3.640 -4.012 -2.955 1.00 71.14 C ATOM 24 CD1 TYR A 2 3.444 -4.496 -4.243 1.00 34.51 C ATOM 25 CD2 TYR A 2 4.691 -3.129 -2.741 1.00 53.11 C ATOM 26 CE1 TYR A 2 4.267 -4.113 -5.284 1.00 24.34 C ATOM 27 CE2 TYR A 2 5.519 -2.739 -3.776 1.00 34.11 C ATOM 28 CZ TYR A 2 5.303 -3.234 -5.045 1.00 61.12 C ATOM 29 OH TYR A 2 6.126 -2.849 -6.078 1.00 64.45 O ATOM 0 H TYR A 2 1.632 -2.283 -0.097 1.00 32.31 H new ATOM 0 HA TYR A 2 1.059 -3.434 -2.716 1.00 0.43 H new ATOM 0 HB2 TYR A 2 3.285 -4.359 -0.882 1.00 32.23 H new ATOM 0 HB3 TYR A 2 2.470 -5.484 -1.950 1.00 32.23 H new ATOM 0 HD1 TYR A 2 2.634 -5.184 -4.433 1.00 34.51 H new ATOM 0 HD2 TYR A 2 4.864 -2.741 -1.748 1.00 53.11 H new ATOM 0 HE1 TYR A 2 4.101 -4.499 -6.279 1.00 24.34 H new ATOM 0 HE2 TYR A 2 6.331 -2.051 -3.592 1.00 34.11 H new ATOM 0 HH TYR A 2 6.804 -2.226 -5.742 1.00 64.45 H new ATOM 39 N LYS A 3 0.110 -5.587 -1.335 1.00 54.55 N ATOM 40 CA LYS A 3 -0.872 -6.420 -0.652 1.00 33.00 C ATOM 41 C LYS A 3 -0.186 -7.444 0.246 1.00 62.42 C ATOM 42 O LYS A 3 0.611 -8.258 -0.222 1.00 62.11 O ATOM 43 CB LYS A 3 -1.763 -7.135 -1.671 1.00 2.30 C ATOM 44 CG LYS A 3 -3.039 -7.700 -1.073 1.00 12.04 C ATOM 45 CD LYS A 3 -4.066 -8.017 -2.147 1.00 21.31 C ATOM 46 CE LYS A 3 -4.892 -6.792 -2.508 1.00 22.22 C ATOM 47 NZ LYS A 3 -5.929 -6.500 -1.480 1.00 5.43 N ATOM 0 H LYS A 3 0.535 -6.022 -2.154 1.00 54.55 H new ATOM 0 HA LYS A 3 -1.490 -5.773 -0.030 1.00 33.00 H new ATOM 0 HB2 LYS A 3 -2.023 -6.437 -2.467 1.00 2.30 H new ATOM 0 HB3 LYS A 3 -1.197 -7.946 -2.130 1.00 2.30 H new ATOM 0 HG2 LYS A 3 -2.809 -8.605 -0.510 1.00 12.04 H new ATOM 0 HG3 LYS A 3 -3.459 -6.984 -0.367 1.00 12.04 H new ATOM 0 HD2 LYS A 3 -3.560 -8.391 -3.037 1.00 21.31 H new ATOM 0 HD3 LYS A 3 -4.725 -8.812 -1.798 1.00 21.31 H new ATOM 0 HE2 LYS A 3 -4.234 -5.929 -2.616 1.00 22.22 H new ATOM 0 HE3 LYS A 3 -5.372 -6.949 -3.474 1.00 22.22 H new ATOM 0 HZ1 LYS A 3 -6.525 -5.711 -1.802 1.00 5.43 H new ATOM 0 HZ2 LYS A 3 -6.520 -7.343 -1.334 1.00 5.43 H new ATOM 0 HZ3 LYS A 3 -5.467 -6.242 -0.585 1.00 5.43 H new ATOM 61 N ILE A 4 -0.501 -7.399 1.536 1.00 71.32 N ATOM 62 CA ILE A 4 0.084 -8.325 2.497 1.00 32.44 C ATOM 63 C ILE A 4 -0.349 -9.760 2.213 1.00 41.43 C ATOM 64 O ILE A 4 -1.472 -10.154 2.526 1.00 34.01 O ATOM 65 CB ILE A 4 -0.308 -7.960 3.941 1.00 13.13 C ATOM 66 CG1 ILE A 4 0.085 -6.514 4.249 1.00 3.32 C ATOM 67 CG2 ILE A 4 0.349 -8.915 4.926 1.00 1.35 C ATOM 68 CD1 ILE A 4 1.578 -6.272 4.207 1.00 51.43 C ATOM 0 H ILE A 4 -1.158 -6.731 1.939 1.00 71.32 H new ATOM 0 HA ILE A 4 1.166 -8.247 2.391 1.00 32.44 H new ATOM 0 HB ILE A 4 -1.389 -8.052 4.043 1.00 13.13 H new ATOM 0 HG12 ILE A 4 -0.402 -5.853 3.532 1.00 3.32 H new ATOM 0 HG13 ILE A 4 -0.291 -6.246 5.237 1.00 3.32 H new ATOM 0 HG21 ILE A 4 0.062 -8.644 5.942 1.00 1.35 H new ATOM 0 HG22 ILE A 4 0.024 -9.934 4.717 1.00 1.35 H new ATOM 0 HG23 ILE A 4 1.433 -8.852 4.826 1.00 1.35 H new ATOM 0 HD11 ILE A 4 1.784 -5.226 4.435 1.00 51.43 H new ATOM 0 HD12 ILE A 4 2.070 -6.907 4.943 1.00 51.43 H new ATOM 0 HD13 ILE A 4 1.957 -6.508 3.213 1.00 51.43 H new ATOM 80 N TYR A 5 0.550 -10.536 1.618 1.00 3.05 N ATOM 81 CA TYR A 5 0.262 -11.927 1.291 1.00 73.13 C ATOM 82 C TYR A 5 0.758 -12.860 2.391 1.00 64.32 C ATOM 83 O TYR A 5 1.611 -12.504 3.204 1.00 23.43 O ATOM 84 CB TYR A 5 0.909 -12.303 -0.043 1.00 74.43 C ATOM 85 CG TYR A 5 0.038 -12.007 -1.243 1.00 72.34 C ATOM 86 CD1 TYR A 5 -1.267 -12.481 -1.313 1.00 44.04 C ATOM 87 CD2 TYR A 5 0.519 -11.255 -2.307 1.00 44.14 C ATOM 88 CE1 TYR A 5 -2.066 -12.214 -2.408 1.00 41.41 C ATOM 89 CE2 TYR A 5 -0.273 -10.981 -3.405 1.00 71.43 C ATOM 90 CZ TYR A 5 -1.565 -11.463 -3.451 1.00 43.01 C ATOM 91 OH TYR A 5 -2.357 -11.194 -4.544 1.00 2.13 O ATOM 0 H TYR A 5 1.484 -10.225 1.352 1.00 3.05 H new ATOM 0 HA TYR A 5 -0.819 -12.038 1.207 1.00 73.13 H new ATOM 0 HB2 TYR A 5 1.850 -11.763 -0.146 1.00 74.43 H new ATOM 0 HB3 TYR A 5 1.151 -13.366 -0.033 1.00 74.43 H new ATOM 0 HD1 TYR A 5 -1.663 -13.068 -0.497 1.00 44.04 H new ATOM 0 HD2 TYR A 5 1.530 -10.878 -2.275 1.00 44.14 H new ATOM 0 HE1 TYR A 5 -3.077 -12.591 -2.447 1.00 41.41 H new ATOM 0 HE2 TYR A 5 0.117 -10.393 -4.223 1.00 71.43 H new ATOM 0 HH TYR A 5 -2.097 -10.332 -4.932 1.00 2.13 H new ATOM 101 N PRO A 6 0.213 -14.085 2.417 1.00 72.31 N ATOM 102 CA PRO A 6 0.585 -15.097 3.411 1.00 41.34 C ATOM 103 C PRO A 6 2.000 -15.625 3.198 1.00 11.54 C ATOM 104 O PRO A 6 2.439 -15.814 2.064 1.00 54.44 O ATOM 105 CB PRO A 6 -0.441 -16.210 3.185 1.00 64.33 C ATOM 106 CG PRO A 6 -0.865 -16.053 1.765 1.00 4.43 C ATOM 107 CD PRO A 6 -0.809 -14.578 1.478 1.00 13.41 C ATOM 0 HA PRO A 6 0.581 -14.695 4.424 1.00 41.34 H new ATOM 0 HB2 PRO A 6 -0.004 -17.193 3.361 1.00 64.33 H new ATOM 0 HB3 PRO A 6 -1.288 -16.111 3.864 1.00 64.33 H new ATOM 0 HG2 PRO A 6 -0.205 -16.606 1.097 1.00 4.43 H new ATOM 0 HG3 PRO A 6 -1.872 -16.442 1.613 1.00 4.43 H new ATOM 0 HD2 PRO A 6 -0.532 -14.381 0.443 1.00 13.41 H new ATOM 0 HD3 PRO A 6 -1.774 -14.099 1.646 1.00 13.41 H new ATOM 115 N TYR A 7 2.709 -15.861 4.297 1.00 51.15 N ATOM 116 CA TYR A 7 4.075 -16.365 4.230 1.00 23.33 C ATOM 117 C TYR A 7 4.090 -17.858 3.914 1.00 43.44 C ATOM 118 O TYR A 7 4.981 -18.347 3.219 1.00 72.34 O ATOM 119 CB TYR A 7 4.802 -16.106 5.551 1.00 12.50 C ATOM 120 CG TYR A 7 6.149 -16.785 5.645 1.00 61.31 C ATOM 121 CD1 TYR A 7 7.263 -16.255 5.006 1.00 1.35 C ATOM 122 CD2 TYR A 7 6.308 -17.958 6.373 1.00 0.02 C ATOM 123 CE1 TYR A 7 8.496 -16.873 5.089 1.00 33.00 C ATOM 124 CE2 TYR A 7 7.537 -18.582 6.462 1.00 22.35 C ATOM 125 CZ TYR A 7 8.628 -18.036 5.818 1.00 33.33 C ATOM 126 OH TYR A 7 9.854 -18.654 5.904 1.00 22.41 O ATOM 0 H TYR A 7 2.360 -15.711 5.244 1.00 51.15 H new ATOM 0 HA TYR A 7 4.591 -15.836 3.428 1.00 23.33 H new ATOM 0 HB2 TYR A 7 4.937 -15.032 5.677 1.00 12.50 H new ATOM 0 HB3 TYR A 7 4.174 -16.447 6.374 1.00 12.50 H new ATOM 0 HD1 TYR A 7 7.163 -15.344 4.434 1.00 1.35 H new ATOM 0 HD2 TYR A 7 5.456 -18.389 6.878 1.00 0.02 H new ATOM 0 HE1 TYR A 7 9.352 -16.448 4.586 1.00 33.00 H new ATOM 0 HE2 TYR A 7 7.643 -19.493 7.033 1.00 22.35 H new ATOM 0 HH TYR A 7 10.361 -18.491 5.081 1.00 22.41 H new ATOM 136 N ASP A 8 3.098 -18.575 4.428 1.00 15.31 N ATOM 137 CA ASP A 8 2.994 -20.011 4.200 1.00 72.32 C ATOM 138 C ASP A 8 2.743 -20.311 2.725 1.00 13.52 C ATOM 139 O ASP A 8 3.132 -21.363 2.220 1.00 21.31 O ATOM 140 CB ASP A 8 1.871 -20.605 5.052 1.00 51.01 C ATOM 141 CG ASP A 8 0.580 -19.817 4.939 1.00 24.41 C ATOM 142 OD1 ASP A 8 0.391 -18.873 5.734 1.00 72.23 O ATOM 143 OD2 ASP A 8 -0.240 -20.146 4.057 1.00 54.13 O ATOM 0 H ASP A 8 2.354 -18.185 5.006 1.00 15.31 H new ATOM 0 HA ASP A 8 3.940 -20.469 4.490 1.00 72.32 H new ATOM 0 HB2 ASP A 8 1.692 -21.636 4.745 1.00 51.01 H new ATOM 0 HB3 ASP A 8 2.186 -20.633 6.095 1.00 51.01 H new ATOM 148 N SER A 9 2.089 -19.378 2.040 1.00 14.24 N ATOM 149 CA SER A 9 1.781 -19.544 0.625 1.00 51.43 C ATOM 150 C SER A 9 2.830 -18.855 -0.243 1.00 72.45 C ATOM 151 O SER A 9 2.998 -19.190 -1.417 1.00 51.41 O ATOM 152 CB SER A 9 0.394 -18.978 0.313 1.00 72.50 C ATOM 153 OG SER A 9 -0.421 -19.948 -0.323 1.00 21.23 O ATOM 0 H SER A 9 1.762 -18.499 2.442 1.00 14.24 H new ATOM 0 HA SER A 9 1.790 -20.610 0.399 1.00 51.43 H new ATOM 0 HB2 SER A 9 -0.083 -18.646 1.235 1.00 72.50 H new ATOM 0 HB3 SER A 9 0.491 -18.102 -0.329 1.00 72.50 H new ATOM 0 HG SER A 9 -1.302 -19.563 -0.510 1.00 21.23 H new ATOM 159 N LEU A 10 3.533 -17.892 0.342 1.00 61.25 N ATOM 160 CA LEU A 10 4.567 -17.155 -0.377 1.00 72.22 C ATOM 161 C LEU A 10 5.869 -17.948 -0.423 1.00 20.14 C ATOM 162 O LEU A 10 6.651 -17.823 -1.366 1.00 14.01 O ATOM 163 CB LEU A 10 4.806 -15.797 0.285 1.00 61.13 C ATOM 164 CG LEU A 10 3.951 -14.639 -0.231 1.00 31.11 C ATOM 165 CD1 LEU A 10 4.245 -13.369 0.552 1.00 53.32 C ATOM 166 CD2 LEU A 10 4.191 -14.419 -1.717 1.00 61.45 C ATOM 0 H LEU A 10 3.406 -17.603 1.312 1.00 61.25 H new ATOM 0 HA LEU A 10 4.223 -16.998 -1.399 1.00 72.22 H new ATOM 0 HB2 LEU A 10 4.632 -15.902 1.356 1.00 61.13 H new ATOM 0 HB3 LEU A 10 5.856 -15.533 0.157 1.00 61.13 H new ATOM 0 HG LEU A 10 2.901 -14.896 -0.087 1.00 31.11 H new ATOM 0 HD11 LEU A 10 3.628 -12.556 0.171 1.00 53.32 H new ATOM 0 HD12 LEU A 10 4.021 -13.532 1.606 1.00 53.32 H new ATOM 0 HD13 LEU A 10 5.298 -13.108 0.441 1.00 53.32 H new ATOM 0 HD21 LEU A 10 3.574 -13.591 -2.067 1.00 61.45 H new ATOM 0 HD22 LEU A 10 5.242 -14.184 -1.885 1.00 61.45 H new ATOM 0 HD23 LEU A 10 3.929 -15.324 -2.266 1.00 61.45 H new ATOM 178 N ILE A 11 6.094 -18.765 0.601 1.00 43.21 N ATOM 179 CA ILE A 11 7.300 -19.580 0.676 1.00 60.54 C ATOM 180 C ILE A 11 7.400 -20.524 -0.518 1.00 21.31 C ATOM 181 O ILE A 11 6.461 -21.259 -0.822 1.00 74.35 O ATOM 182 CB ILE A 11 7.341 -20.407 1.974 1.00 31.24 C ATOM 183 CG1 ILE A 11 6.019 -21.153 2.172 1.00 44.22 C ATOM 184 CG2 ILE A 11 7.631 -19.507 3.166 1.00 33.23 C ATOM 185 CD1 ILE A 11 6.041 -22.124 3.331 1.00 10.03 C ATOM 0 H ILE A 11 5.457 -18.880 1.389 1.00 43.21 H new ATOM 0 HA ILE A 11 8.146 -18.893 0.666 1.00 60.54 H new ATOM 0 HB ILE A 11 8.142 -21.142 1.894 1.00 31.24 H new ATOM 0 HG12 ILE A 11 5.222 -20.427 2.332 1.00 44.22 H new ATOM 0 HG13 ILE A 11 5.777 -21.696 1.258 1.00 44.22 H new ATOM 0 HG21 ILE A 11 7.657 -20.106 4.076 1.00 33.23 H new ATOM 0 HG22 ILE A 11 8.595 -19.017 3.026 1.00 33.23 H new ATOM 0 HG23 ILE A 11 6.849 -18.752 3.251 1.00 33.23 H new ATOM 0 HD11 ILE A 11 5.072 -22.616 3.412 1.00 10.03 H new ATOM 0 HD12 ILE A 11 6.815 -22.873 3.164 1.00 10.03 H new ATOM 0 HD13 ILE A 11 6.252 -21.584 4.254 1.00 10.03 H new ATOM 197 N VAL A 12 8.547 -20.500 -1.190 1.00 74.11 N ATOM 198 CA VAL A 12 8.772 -21.356 -2.349 1.00 54.41 C ATOM 199 C VAL A 12 8.704 -22.830 -1.966 1.00 14.45 C ATOM 200 O VAL A 12 8.406 -23.687 -2.798 1.00 42.22 O ATOM 201 CB VAL A 12 10.137 -21.069 -3.002 1.00 12.21 C ATOM 202 CG1 VAL A 12 10.322 -19.575 -3.219 1.00 54.32 C ATOM 203 CG2 VAL A 12 11.263 -21.636 -2.151 1.00 43.41 C ATOM 0 H VAL A 12 9.335 -19.897 -0.952 1.00 74.11 H new ATOM 0 HA VAL A 12 7.981 -21.133 -3.065 1.00 54.41 H new ATOM 0 HB VAL A 12 10.165 -21.559 -3.975 1.00 12.21 H new ATOM 0 HG11 VAL A 12 11.292 -19.392 -3.681 1.00 54.32 H new ATOM 0 HG12 VAL A 12 9.533 -19.202 -3.872 1.00 54.32 H new ATOM 0 HG13 VAL A 12 10.274 -19.059 -2.260 1.00 54.32 H new ATOM 0 HG21 VAL A 12 12.221 -21.424 -2.627 1.00 43.41 H new ATOM 0 HG22 VAL A 12 11.239 -21.176 -1.163 1.00 43.41 H new ATOM 0 HG23 VAL A 12 11.137 -22.714 -2.053 1.00 43.41 H new ATOM 213 N THR A 13 8.981 -23.119 -0.698 1.00 20.11 N ATOM 214 CA THR A 13 8.952 -24.490 -0.203 1.00 2.40 C ATOM 215 C THR A 13 7.552 -25.083 -0.307 1.00 52.55 C ATOM 216 O THR A 13 7.376 -26.299 -0.246 1.00 4.45 O ATOM 217 CB THR A 13 9.423 -24.568 1.262 1.00 54.13 C ATOM 218 OG1 THR A 13 9.354 -25.921 1.727 1.00 40.44 O ATOM 219 CG2 THR A 13 8.570 -23.676 2.152 1.00 22.52 C ATOM 0 H THR A 13 9.228 -22.422 0.005 1.00 20.11 H new ATOM 0 HA THR A 13 9.634 -25.066 -0.828 1.00 2.40 H new ATOM 0 HB THR A 13 10.455 -24.221 1.309 1.00 54.13 H new ATOM 0 HG1 THR A 13 8.685 -26.412 1.206 1.00 40.44 H new ATOM 0 HG21 THR A 13 8.921 -23.747 3.182 1.00 22.52 H new ATOM 0 HG22 THR A 13 8.647 -22.643 1.813 1.00 22.52 H new ATOM 0 HG23 THR A 13 7.530 -23.998 2.100 1.00 22.52 H new ATOM 227 N ASN A 14 6.557 -24.215 -0.467 1.00 63.31 N ATOM 228 CA ASN A 14 5.171 -24.654 -0.581 1.00 22.35 C ATOM 229 C ASN A 14 4.724 -24.674 -2.039 1.00 43.41 C ATOM 230 O ASN A 14 3.540 -24.837 -2.334 1.00 43.31 O ATOM 231 CB ASN A 14 4.256 -23.737 0.233 1.00 72.01 C ATOM 232 CG ASN A 14 2.983 -24.434 0.674 1.00 51.35 C ATOM 233 OD1 ASN A 14 1.906 -24.186 0.130 1.00 4.12 O ATOM 234 ND2 ASN A 14 3.101 -25.311 1.664 1.00 40.24 N ATOM 0 H ASN A 14 6.685 -23.205 -0.521 1.00 63.31 H new ATOM 0 HA ASN A 14 5.103 -25.668 -0.186 1.00 22.35 H new ATOM 0 HB2 ASN A 14 4.793 -23.378 1.111 1.00 72.01 H new ATOM 0 HB3 ASN A 14 4.000 -22.861 -0.364 1.00 72.01 H new ATOM 0 HD21 ASN A 14 2.279 -25.811 2.003 1.00 40.24 H new ATOM 0 HD22 ASN A 14 4.014 -25.485 2.085 1.00 40.24 H new ATOM 241 N ARG A 15 5.680 -24.507 -2.947 1.00 41.34 N ATOM 242 CA ARG A 15 5.385 -24.504 -4.375 1.00 63.41 C ATOM 243 C ARG A 15 4.608 -25.756 -4.772 1.00 21.12 C ATOM 244 O ARG A 15 3.563 -25.671 -5.418 1.00 65.02 O ATOM 245 CB ARG A 15 6.680 -24.417 -5.185 1.00 24.22 C ATOM 246 CG ARG A 15 7.211 -23.001 -5.334 1.00 4.12 C ATOM 247 CD ARG A 15 8.680 -22.995 -5.727 1.00 62.23 C ATOM 248 NE ARG A 15 9.060 -21.760 -6.408 1.00 12.13 N ATOM 249 CZ ARG A 15 8.816 -21.524 -7.692 1.00 3.40 C ATOM 250 NH1 ARG A 15 8.197 -22.433 -8.431 1.00 34.40 N ATOM 251 NH2 ARG A 15 9.193 -20.375 -8.239 1.00 55.14 N ATOM 0 H ARG A 15 6.665 -24.372 -2.719 1.00 41.34 H new ATOM 0 HA ARG A 15 4.770 -23.631 -4.591 1.00 63.41 H new ATOM 0 HB2 ARG A 15 7.441 -25.033 -4.705 1.00 24.22 H new ATOM 0 HB3 ARG A 15 6.508 -24.838 -6.176 1.00 24.22 H new ATOM 0 HG2 ARG A 15 6.629 -22.471 -6.088 1.00 4.12 H new ATOM 0 HG3 ARG A 15 7.082 -22.462 -4.395 1.00 4.12 H new ATOM 0 HD2 ARG A 15 9.294 -23.121 -4.835 1.00 62.23 H new ATOM 0 HD3 ARG A 15 8.885 -23.845 -6.378 1.00 62.23 H new ATOM 0 HE ARG A 15 9.539 -21.039 -5.868 1.00 12.13 H new ATOM 0 HH11 ARG A 15 7.906 -23.317 -8.014 1.00 34.40 H new ATOM 0 HH12 ARG A 15 8.011 -22.248 -9.417 1.00 34.40 H new ATOM 0 HH21 ARG A 15 9.670 -19.673 -7.673 1.00 55.14 H new ATOM 0 HH22 ARG A 15 9.006 -20.194 -9.225 1.00 55.14 H new ATOM 265 N ILE A 16 5.125 -26.916 -4.381 1.00 2.01 N ATOM 266 CA ILE A 16 4.479 -28.184 -4.695 1.00 65.43 C ATOM 267 C ILE A 16 3.011 -28.171 -4.283 1.00 5.02 C ATOM 268 O ILE A 16 2.151 -28.688 -4.995 1.00 62.25 O ATOM 269 CB ILE A 16 5.186 -29.363 -4.000 1.00 33.21 C ATOM 270 CG1 ILE A 16 4.447 -30.671 -4.290 1.00 62.40 C ATOM 271 CG2 ILE A 16 5.273 -29.119 -2.501 1.00 14.22 C ATOM 272 CD1 ILE A 16 4.335 -30.988 -5.765 1.00 14.50 C ATOM 0 H ILE A 16 5.989 -27.004 -3.846 1.00 2.01 H new ATOM 0 HA ILE A 16 4.549 -28.315 -5.775 1.00 65.43 H new ATOM 0 HB ILE A 16 6.199 -29.444 -4.395 1.00 33.21 H new ATOM 0 HG12 ILE A 16 4.964 -31.490 -3.789 1.00 62.40 H new ATOM 0 HG13 ILE A 16 3.446 -30.616 -3.861 1.00 62.40 H new ATOM 0 HG21 ILE A 16 5.775 -29.961 -2.024 1.00 14.22 H new ATOM 0 HG22 ILE A 16 5.838 -28.206 -2.313 1.00 14.22 H new ATOM 0 HG23 ILE A 16 4.269 -29.015 -2.090 1.00 14.22 H new ATOM 0 HD11 ILE A 16 3.800 -31.929 -5.895 1.00 14.50 H new ATOM 0 HD12 ILE A 16 3.792 -30.189 -6.269 1.00 14.50 H new ATOM 0 HD13 ILE A 16 5.333 -31.076 -6.195 1.00 14.50 H new ATOM 284 N ARG A 17 2.732 -27.574 -3.128 1.00 63.54 N ATOM 285 CA ARG A 17 1.368 -27.493 -2.621 1.00 0.20 C ATOM 286 C ARG A 17 0.585 -26.398 -3.340 1.00 61.11 C ATOM 287 O ARG A 17 -0.334 -26.680 -4.109 1.00 61.40 O ATOM 288 CB ARG A 17 1.377 -27.223 -1.115 1.00 74.11 C ATOM 289 CG ARG A 17 2.359 -28.091 -0.347 1.00 22.45 C ATOM 290 CD ARG A 17 2.116 -29.570 -0.604 1.00 70.24 C ATOM 291 NE ARG A 17 2.919 -30.418 0.273 1.00 34.01 N ATOM 292 CZ ARG A 17 2.907 -31.745 0.224 1.00 21.41 C ATOM 293 NH1 ARG A 17 2.139 -32.373 -0.655 1.00 72.05 N ATOM 294 NH2 ARG A 17 3.666 -32.448 1.056 1.00 14.20 N ATOM 0 H ARG A 17 3.432 -27.140 -2.527 1.00 63.54 H new ATOM 0 HA ARG A 17 0.879 -28.449 -2.809 1.00 0.20 H new ATOM 0 HB2 ARG A 17 1.621 -26.175 -0.944 1.00 74.11 H new ATOM 0 HB3 ARG A 17 0.375 -27.386 -0.719 1.00 74.11 H new ATOM 0 HG2 ARG A 17 3.378 -27.833 -0.637 1.00 22.45 H new ATOM 0 HG3 ARG A 17 2.269 -27.887 0.720 1.00 22.45 H new ATOM 0 HD2 ARG A 17 1.060 -29.794 -0.457 1.00 70.24 H new ATOM 0 HD3 ARG A 17 2.349 -29.800 -1.644 1.00 70.24 H new ATOM 0 HE ARG A 17 3.522 -29.966 0.961 1.00 34.01 H new ATOM 0 HH11 ARG A 17 1.555 -31.837 -1.297 1.00 72.05 H new ATOM 0 HH12 ARG A 17 2.132 -33.392 -0.690 1.00 72.05 H new ATOM 0 HH21 ARG A 17 4.259 -31.969 1.734 1.00 14.20 H new ATOM 0 HH22 ARG A 17 3.656 -33.467 1.018 1.00 14.20 H new ATOM 308 N VAL A 18 0.955 -25.147 -3.084 1.00 64.32 N ATOM 309 CA VAL A 18 0.289 -24.010 -3.707 1.00 73.00 C ATOM 310 C VAL A 18 1.300 -23.052 -4.327 1.00 30.14 C ATOM 311 O VAL A 18 2.447 -22.972 -3.886 1.00 61.25 O ATOM 312 CB VAL A 18 -0.575 -23.240 -2.690 1.00 72.25 C ATOM 313 CG1 VAL A 18 0.303 -22.551 -1.657 1.00 34.42 C ATOM 314 CG2 VAL A 18 -1.465 -22.233 -3.403 1.00 2.30 C ATOM 0 H VAL A 18 1.713 -24.896 -2.449 1.00 64.32 H new ATOM 0 HA VAL A 18 -0.354 -24.410 -4.490 1.00 73.00 H new ATOM 0 HB VAL A 18 -1.215 -23.952 -2.170 1.00 72.25 H new ATOM 0 HG11 VAL A 18 -0.325 -22.012 -0.947 1.00 34.42 H new ATOM 0 HG12 VAL A 18 0.894 -23.297 -1.126 1.00 34.42 H new ATOM 0 HG13 VAL A 18 0.970 -21.849 -2.157 1.00 34.42 H new ATOM 0 HG21 VAL A 18 -2.069 -21.698 -2.670 1.00 2.30 H new ATOM 0 HG22 VAL A 18 -0.845 -21.523 -3.950 1.00 2.30 H new ATOM 0 HG23 VAL A 18 -2.120 -22.756 -4.100 1.00 2.30 H new ATOM 324 N LYS A 19 0.867 -22.325 -5.351 1.00 62.11 N ATOM 325 CA LYS A 19 1.733 -21.370 -6.032 1.00 1.21 C ATOM 326 C LYS A 19 1.363 -19.938 -5.659 1.00 11.12 C ATOM 327 O LYS A 19 0.422 -19.707 -4.898 1.00 74.25 O ATOM 328 CB LYS A 19 1.638 -21.554 -7.548 1.00 55.11 C ATOM 329 CG LYS A 19 1.852 -22.988 -8.001 1.00 43.45 C ATOM 330 CD LYS A 19 0.539 -23.746 -8.094 1.00 52.25 C ATOM 331 CE LYS A 19 0.728 -25.113 -8.734 1.00 43.54 C ATOM 332 NZ LYS A 19 -0.570 -25.722 -9.136 1.00 41.31 N ATOM 0 H LYS A 19 -0.079 -22.379 -5.728 1.00 62.11 H new ATOM 0 HA LYS A 19 2.759 -21.557 -5.713 1.00 1.21 H new ATOM 0 HB2 LYS A 19 0.658 -21.218 -7.886 1.00 55.11 H new ATOM 0 HB3 LYS A 19 2.378 -20.915 -8.030 1.00 55.11 H new ATOM 0 HG2 LYS A 19 2.346 -22.994 -8.973 1.00 43.45 H new ATOM 0 HG3 LYS A 19 2.517 -23.496 -7.303 1.00 43.45 H new ATOM 0 HD2 LYS A 19 0.115 -23.866 -7.097 1.00 52.25 H new ATOM 0 HD3 LYS A 19 -0.177 -23.166 -8.677 1.00 52.25 H new ATOM 0 HE2 LYS A 19 1.371 -25.018 -9.609 1.00 43.54 H new ATOM 0 HE3 LYS A 19 1.238 -25.774 -8.034 1.00 43.54 H new ATOM 0 HZ1 LYS A 19 -0.398 -26.652 -9.568 1.00 41.31 H new ATOM 0 HZ2 LYS A 19 -1.174 -25.836 -8.297 1.00 41.31 H new ATOM 0 HZ3 LYS A 19 -1.045 -25.104 -9.824 1.00 41.31 H new ATOM 346 N LEU A 20 2.107 -18.979 -6.199 1.00 24.42 N ATOM 347 CA LEU A 20 1.856 -17.569 -5.924 1.00 2.13 C ATOM 348 C LEU A 20 0.868 -16.986 -6.929 1.00 45.51 C ATOM 349 O LEU A 20 0.751 -17.451 -8.063 1.00 2.11 O ATOM 350 CB LEU A 20 3.166 -16.780 -5.962 1.00 63.32 C ATOM 351 CG LEU A 20 4.392 -17.486 -5.380 1.00 14.55 C ATOM 352 CD1 LEU A 20 5.654 -16.689 -5.669 1.00 41.40 C ATOM 353 CD2 LEU A 20 4.224 -17.696 -3.882 1.00 35.51 C ATOM 0 H LEU A 20 2.889 -19.152 -6.830 1.00 24.42 H new ATOM 0 HA LEU A 20 1.421 -17.490 -4.928 1.00 2.13 H new ATOM 0 HB2 LEU A 20 3.380 -16.519 -6.998 1.00 63.32 H new ATOM 0 HB3 LEU A 20 3.019 -15.845 -5.422 1.00 63.32 H new ATOM 0 HG LEU A 20 4.486 -18.462 -5.856 1.00 14.55 H new ATOM 0 HD11 LEU A 20 6.516 -17.207 -5.247 1.00 41.40 H new ATOM 0 HD12 LEU A 20 5.782 -16.589 -6.747 1.00 41.40 H new ATOM 0 HD13 LEU A 20 5.570 -15.699 -5.220 1.00 41.40 H new ATOM 0 HD21 LEU A 20 5.105 -18.199 -3.484 1.00 35.51 H new ATOM 0 HD22 LEU A 20 4.105 -16.731 -3.390 1.00 35.51 H new ATOM 0 HD23 LEU A 20 3.342 -18.309 -3.697 1.00 35.51 H new ATOM 365 N PRO A 21 0.142 -15.940 -6.507 1.00 33.33 N ATOM 366 CA PRO A 21 -0.847 -15.269 -7.356 1.00 2.33 C ATOM 367 C PRO A 21 -0.198 -14.484 -8.491 1.00 72.21 C ATOM 368 O PRO A 21 1.003 -14.601 -8.734 1.00 22.14 O ATOM 369 CB PRO A 21 -1.559 -14.320 -6.389 1.00 2.35 C ATOM 370 CG PRO A 21 -0.565 -14.064 -5.308 1.00 73.42 C ATOM 371 CD PRO A 21 0.229 -15.333 -5.168 1.00 23.30 C ATOM 0 HA PRO A 21 -1.513 -15.979 -7.846 1.00 2.33 H new ATOM 0 HB2 PRO A 21 -1.851 -13.395 -6.886 1.00 2.35 H new ATOM 0 HB3 PRO A 21 -2.469 -14.769 -5.992 1.00 2.35 H new ATOM 0 HG2 PRO A 21 0.082 -13.225 -5.563 1.00 73.42 H new ATOM 0 HG3 PRO A 21 -1.063 -13.810 -4.372 1.00 73.42 H new ATOM 0 HD2 PRO A 21 1.262 -15.131 -4.885 1.00 23.30 H new ATOM 0 HD3 PRO A 21 -0.190 -15.987 -4.403 1.00 23.30 H new ATOM 379 N LYS A 22 -1.000 -13.684 -9.185 1.00 15.44 N ATOM 380 CA LYS A 22 -0.505 -12.877 -10.294 1.00 31.50 C ATOM 381 C LYS A 22 -0.158 -11.467 -9.829 1.00 1.20 C ATOM 382 O LYS A 22 0.781 -10.850 -10.333 1.00 60.41 O ATOM 383 CB LYS A 22 -1.548 -12.815 -11.412 1.00 34.12 C ATOM 384 CG LYS A 22 -2.930 -12.407 -10.932 1.00 35.22 C ATOM 385 CD LYS A 22 -3.553 -11.364 -11.845 1.00 63.42 C ATOM 386 CE LYS A 22 -2.784 -10.052 -11.798 1.00 35.50 C ATOM 387 NZ LYS A 22 -2.431 -9.568 -13.161 1.00 5.32 N ATOM 0 H LYS A 22 -1.997 -13.577 -8.999 1.00 15.44 H new ATOM 0 HA LYS A 22 0.401 -13.347 -10.676 1.00 31.50 H new ATOM 0 HB2 LYS A 22 -1.213 -12.108 -12.171 1.00 34.12 H new ATOM 0 HB3 LYS A 22 -1.613 -13.792 -11.892 1.00 34.12 H new ATOM 0 HG2 LYS A 22 -3.575 -13.285 -10.888 1.00 35.22 H new ATOM 0 HG3 LYS A 22 -2.862 -12.011 -9.919 1.00 35.22 H new ATOM 0 HD2 LYS A 22 -3.572 -11.739 -12.868 1.00 63.42 H new ATOM 0 HD3 LYS A 22 -4.588 -11.191 -11.549 1.00 63.42 H new ATOM 0 HE2 LYS A 22 -3.383 -9.298 -11.288 1.00 35.50 H new ATOM 0 HE3 LYS A 22 -1.874 -10.185 -11.213 1.00 35.50 H new ATOM 0 HZ1 LYS A 22 -1.908 -8.672 -13.087 1.00 5.32 H new ATOM 0 HZ2 LYS A 22 -1.838 -10.277 -13.638 1.00 5.32 H new ATOM 0 HZ3 LYS A 22 -3.300 -9.417 -13.712 1.00 5.32 H new ATOM 401 N ASP A 23 -0.920 -10.963 -8.865 1.00 3.54 N ATOM 402 CA ASP A 23 -0.691 -9.625 -8.330 1.00 23.32 C ATOM 403 C ASP A 23 0.362 -9.654 -7.226 1.00 61.33 C ATOM 404 O ASP A 23 0.148 -9.126 -6.135 1.00 51.23 O ATOM 405 CB ASP A 23 -1.996 -9.038 -7.791 1.00 51.10 C ATOM 406 CG ASP A 23 -3.035 -8.842 -8.878 1.00 3.41 C ATOM 407 OD1 ASP A 23 -2.950 -7.829 -9.604 1.00 64.14 O ATOM 408 OD2 ASP A 23 -3.932 -9.701 -9.003 1.00 0.24 O ATOM 0 H ASP A 23 -1.702 -11.460 -8.438 1.00 3.54 H new ATOM 0 HA ASP A 23 -0.325 -8.994 -9.140 1.00 23.32 H new ATOM 0 HB2 ASP A 23 -2.398 -9.698 -7.023 1.00 51.10 H new ATOM 0 HB3 ASP A 23 -1.790 -8.081 -7.312 1.00 51.10 H new ATOM 413 N VAL A 24 1.500 -10.277 -7.517 1.00 42.43 N ATOM 414 CA VAL A 24 2.587 -10.375 -6.550 1.00 52.11 C ATOM 415 C VAL A 24 3.943 -10.232 -7.231 1.00 43.10 C ATOM 416 O VAL A 24 4.206 -10.865 -8.254 1.00 32.13 O ATOM 417 CB VAL A 24 2.544 -11.715 -5.792 1.00 51.01 C ATOM 418 CG1 VAL A 24 2.779 -12.876 -6.746 1.00 71.12 C ATOM 419 CG2 VAL A 24 3.568 -11.723 -4.667 1.00 34.21 C ATOM 0 H VAL A 24 1.693 -10.721 -8.415 1.00 42.43 H new ATOM 0 HA VAL A 24 2.453 -9.559 -5.839 1.00 52.11 H new ATOM 0 HB VAL A 24 1.554 -11.832 -5.352 1.00 51.01 H new ATOM 0 HG11 VAL A 24 2.745 -13.814 -6.192 1.00 71.12 H new ATOM 0 HG12 VAL A 24 2.005 -12.879 -7.513 1.00 71.12 H new ATOM 0 HG13 VAL A 24 3.756 -12.768 -7.217 1.00 71.12 H new ATOM 0 HG21 VAL A 24 3.524 -12.677 -4.142 1.00 34.21 H new ATOM 0 HG22 VAL A 24 4.566 -11.583 -5.082 1.00 34.21 H new ATOM 0 HG23 VAL A 24 3.349 -10.915 -3.970 1.00 34.21 H new ATOM 429 N ASP A 25 4.802 -9.396 -6.657 1.00 71.40 N ATOM 430 CA ASP A 25 6.133 -9.171 -7.207 1.00 43.15 C ATOM 431 C ASP A 25 7.147 -10.126 -6.585 1.00 44.34 C ATOM 432 O ASP A 25 7.188 -10.296 -5.367 1.00 34.51 O ATOM 433 CB ASP A 25 6.567 -7.723 -6.973 1.00 11.01 C ATOM 434 CG ASP A 25 6.200 -6.814 -8.129 1.00 73.14 C ATOM 435 OD1 ASP A 25 5.005 -6.766 -8.489 1.00 41.14 O ATOM 436 OD2 ASP A 25 7.107 -6.152 -8.675 1.00 42.42 O ATOM 0 H ASP A 25 4.600 -8.863 -5.811 1.00 71.40 H new ATOM 0 HA ASP A 25 6.093 -9.361 -8.280 1.00 43.15 H new ATOM 0 HB2 ASP A 25 6.102 -7.351 -6.060 1.00 11.01 H new ATOM 0 HB3 ASP A 25 7.645 -7.691 -6.818 1.00 11.01 H new ATOM 441 N ARG A 26 7.964 -10.746 -7.431 1.00 21.25 N ATOM 442 CA ARG A 26 8.977 -11.686 -6.964 1.00 14.32 C ATOM 443 C ARG A 26 10.254 -10.954 -6.563 1.00 11.53 C ATOM 444 O ARG A 26 10.880 -11.280 -5.553 1.00 75.25 O ATOM 445 CB ARG A 26 9.287 -12.716 -8.051 1.00 73.02 C ATOM 446 CG ARG A 26 8.047 -13.312 -8.697 1.00 34.33 C ATOM 447 CD ARG A 26 7.233 -14.121 -7.698 1.00 52.33 C ATOM 448 NE ARG A 26 7.465 -15.556 -7.838 1.00 12.25 N ATOM 449 CZ ARG A 26 8.417 -16.213 -7.185 1.00 62.02 C ATOM 450 NH1 ARG A 26 9.222 -15.567 -6.353 1.00 31.14 N ATOM 451 NH2 ARG A 26 8.566 -17.519 -7.365 1.00 32.32 N ATOM 0 H ARG A 26 7.944 -10.615 -8.442 1.00 21.25 H new ATOM 0 HA ARG A 26 8.583 -12.200 -6.087 1.00 14.32 H new ATOM 0 HB2 ARG A 26 9.897 -12.246 -8.822 1.00 73.02 H new ATOM 0 HB3 ARG A 26 9.883 -13.520 -7.619 1.00 73.02 H new ATOM 0 HG2 ARG A 26 7.430 -12.513 -9.109 1.00 34.33 H new ATOM 0 HG3 ARG A 26 8.340 -13.950 -9.531 1.00 34.33 H new ATOM 0 HD2 ARG A 26 7.489 -13.810 -6.685 1.00 52.33 H new ATOM 0 HD3 ARG A 26 6.173 -13.910 -7.838 1.00 52.33 H new ATOM 0 HE ARG A 26 6.863 -16.082 -8.472 1.00 12.25 H new ATOM 0 HH11 ARG A 26 9.111 -14.563 -6.213 1.00 31.14 H new ATOM 0 HH12 ARG A 26 9.952 -16.074 -5.853 1.00 31.14 H new ATOM 0 HH21 ARG A 26 7.949 -18.019 -8.005 1.00 32.32 H new ATOM 0 HH22 ARG A 26 9.297 -18.023 -6.863 1.00 32.32 H new ATOM 465 N THR A 27 10.637 -9.961 -7.360 1.00 74.14 N ATOM 466 CA THR A 27 11.839 -9.184 -7.090 1.00 44.22 C ATOM 467 C THR A 27 11.831 -8.633 -5.669 1.00 35.43 C ATOM 468 O THR A 27 12.804 -8.780 -4.930 1.00 64.30 O ATOM 469 CB THR A 27 11.986 -8.013 -8.081 1.00 23.52 C ATOM 470 OG1 THR A 27 11.068 -8.174 -9.168 1.00 45.12 O ATOM 471 CG2 THR A 27 13.407 -7.934 -8.618 1.00 25.13 C ATOM 0 H THR A 27 10.131 -9.676 -8.199 1.00 74.14 H new ATOM 0 HA THR A 27 12.685 -9.861 -7.210 1.00 44.22 H new ATOM 0 HB THR A 27 11.763 -7.087 -7.551 1.00 23.52 H new ATOM 0 HG1 THR A 27 11.166 -7.425 -9.793 1.00 45.12 H new ATOM 0 HG21 THR A 27 13.487 -7.100 -9.315 1.00 25.13 H new ATOM 0 HG22 THR A 27 14.101 -7.783 -7.791 1.00 25.13 H new ATOM 0 HG23 THR A 27 13.653 -8.862 -9.133 1.00 25.13 H new ATOM 479 N ARG A 28 10.725 -8.000 -5.291 1.00 51.23 N ATOM 480 CA ARG A 28 10.590 -7.427 -3.958 1.00 1.25 C ATOM 481 C ARG A 28 9.376 -8.007 -3.237 1.00 4.51 C ATOM 482 O ARG A 28 8.360 -7.331 -3.068 1.00 60.43 O ATOM 483 CB ARG A 28 10.467 -5.904 -4.043 1.00 74.53 C ATOM 484 CG ARG A 28 11.798 -5.179 -3.940 1.00 0.41 C ATOM 485 CD ARG A 28 12.665 -5.429 -5.164 1.00 4.14 C ATOM 486 NE ARG A 28 13.702 -4.411 -5.317 1.00 72.43 N ATOM 487 CZ ARG A 28 14.332 -4.171 -6.462 1.00 22.44 C ATOM 488 NH1 ARG A 28 14.033 -4.872 -7.547 1.00 12.12 N ATOM 489 NH2 ARG A 28 15.264 -3.229 -6.522 1.00 51.42 N ATOM 0 H ARG A 28 9.909 -7.871 -5.890 1.00 51.23 H new ATOM 0 HA ARG A 28 11.485 -7.681 -3.389 1.00 1.25 H new ATOM 0 HB2 ARG A 28 9.990 -5.639 -4.987 1.00 74.53 H new ATOM 0 HB3 ARG A 28 9.811 -5.556 -3.245 1.00 74.53 H new ATOM 0 HG2 ARG A 28 11.623 -4.109 -3.829 1.00 0.41 H new ATOM 0 HG3 ARG A 28 12.326 -5.510 -3.045 1.00 0.41 H new ATOM 0 HD2 ARG A 28 13.130 -6.411 -5.084 1.00 4.14 H new ATOM 0 HD3 ARG A 28 12.038 -5.445 -6.055 1.00 4.14 H new ATOM 0 HE ARG A 28 13.956 -3.855 -4.501 1.00 72.43 H new ATOM 0 HH11 ARG A 28 13.318 -5.598 -7.504 1.00 12.12 H new ATOM 0 HH12 ARG A 28 14.518 -4.685 -8.425 1.00 12.12 H new ATOM 0 HH21 ARG A 28 15.497 -2.689 -5.689 1.00 51.42 H new ATOM 0 HH22 ARG A 28 15.747 -3.045 -7.401 1.00 51.42 H new ATOM 503 N LEU A 29 9.489 -9.261 -2.814 1.00 43.14 N ATOM 504 CA LEU A 29 8.401 -9.932 -2.112 1.00 62.40 C ATOM 505 C LEU A 29 8.369 -9.526 -0.642 1.00 61.12 C ATOM 506 O LEU A 29 7.392 -9.782 0.061 1.00 62.23 O ATOM 507 CB LEU A 29 8.552 -11.450 -2.230 1.00 74.12 C ATOM 508 CG LEU A 29 7.267 -12.266 -2.078 1.00 41.35 C ATOM 509 CD1 LEU A 29 6.497 -12.298 -3.390 1.00 2.14 C ATOM 510 CD2 LEU A 29 7.584 -13.678 -1.609 1.00 64.14 C ATOM 0 H LEU A 29 10.323 -9.834 -2.945 1.00 43.14 H new ATOM 0 HA LEU A 29 7.462 -9.629 -2.574 1.00 62.40 H new ATOM 0 HB2 LEU A 29 8.990 -11.677 -3.202 1.00 74.12 H new ATOM 0 HB3 LEU A 29 9.263 -11.784 -1.474 1.00 74.12 H new ATOM 0 HG LEU A 29 6.642 -11.787 -1.325 1.00 41.35 H new ATOM 0 HD11 LEU A 29 5.586 -12.883 -3.263 1.00 2.14 H new ATOM 0 HD12 LEU A 29 6.237 -11.281 -3.684 1.00 2.14 H new ATOM 0 HD13 LEU A 29 7.115 -12.753 -4.164 1.00 2.14 H new ATOM 0 HD21 LEU A 29 6.658 -14.244 -1.506 1.00 64.14 H new ATOM 0 HD22 LEU A 29 8.229 -14.167 -2.338 1.00 64.14 H new ATOM 0 HD23 LEU A 29 8.092 -13.636 -0.646 1.00 64.14 H new ATOM 522 N GLU A 30 9.443 -8.890 -0.186 1.00 4.33 N ATOM 523 CA GLU A 30 9.537 -8.447 1.200 1.00 15.14 C ATOM 524 C GLU A 30 8.405 -7.481 1.540 1.00 31.23 C ATOM 525 O GLU A 30 7.826 -7.544 2.625 1.00 2.41 O ATOM 526 CB GLU A 30 10.888 -7.776 1.455 1.00 30.01 C ATOM 527 CG GLU A 30 11.012 -6.399 0.826 1.00 50.35 C ATOM 528 CD GLU A 30 12.454 -5.966 0.648 1.00 65.21 C ATOM 529 OE1 GLU A 30 13.316 -6.446 1.415 1.00 73.14 O ATOM 530 OE2 GLU A 30 12.722 -5.148 -0.257 1.00 21.32 O ATOM 0 H GLU A 30 10.260 -8.670 -0.756 1.00 4.33 H new ATOM 0 HA GLU A 30 9.449 -9.324 1.841 1.00 15.14 H new ATOM 0 HB2 GLU A 30 11.044 -7.690 2.530 1.00 30.01 H new ATOM 0 HB3 GLU A 30 11.681 -8.416 1.068 1.00 30.01 H new ATOM 0 HG2 GLU A 30 10.515 -6.401 -0.144 1.00 50.35 H new ATOM 0 HG3 GLU A 30 10.492 -5.671 1.449 1.00 50.35 H new ATOM 537 N ARG A 31 8.096 -6.589 0.605 1.00 12.33 N ATOM 538 CA ARG A 31 7.035 -5.608 0.806 1.00 63.54 C ATOM 539 C ARG A 31 5.667 -6.284 0.826 1.00 63.03 C ATOM 540 O ARG A 31 4.666 -5.672 1.200 1.00 24.25 O ATOM 541 CB ARG A 31 7.076 -4.549 -0.297 1.00 5.43 C ATOM 542 CG ARG A 31 8.120 -3.468 -0.064 1.00 14.10 C ATOM 543 CD ARG A 31 8.609 -2.874 -1.376 1.00 21.33 C ATOM 544 NE ARG A 31 9.912 -2.229 -1.232 1.00 75.33 N ATOM 545 CZ ARG A 31 10.096 -1.080 -0.592 1.00 21.43 C ATOM 546 NH1 ARG A 31 9.067 -0.454 -0.038 1.00 3.32 N ATOM 547 NH2 ARG A 31 11.312 -0.556 -0.504 1.00 30.44 N ATOM 0 H ARG A 31 8.564 -6.525 -0.299 1.00 12.33 H new ATOM 0 HA ARG A 31 7.197 -5.126 1.770 1.00 63.54 H new ATOM 0 HB2 ARG A 31 7.277 -5.037 -1.251 1.00 5.43 H new ATOM 0 HB3 ARG A 31 6.094 -4.083 -0.378 1.00 5.43 H new ATOM 0 HG2 ARG A 31 7.696 -2.680 0.558 1.00 14.10 H new ATOM 0 HG3 ARG A 31 8.964 -3.888 0.484 1.00 14.10 H new ATOM 0 HD2 ARG A 31 8.675 -3.660 -2.128 1.00 21.33 H new ATOM 0 HD3 ARG A 31 7.882 -2.147 -1.738 1.00 21.33 H new ATOM 0 HE ARG A 31 10.725 -2.686 -1.646 1.00 75.33 H new ATOM 0 HH11 ARG A 31 8.131 -0.855 -0.103 1.00 3.32 H new ATOM 0 HH12 ARG A 31 9.211 0.428 0.453 1.00 3.32 H new ATOM 0 HH21 ARG A 31 12.106 -1.036 -0.928 1.00 30.44 H new ATOM 0 HH22 ARG A 31 11.453 0.327 -0.012 1.00 30.44 H new ATOM 561 N HIS A 32 5.632 -7.549 0.419 1.00 33.24 N ATOM 562 CA HIS A 32 4.386 -8.308 0.391 1.00 64.22 C ATOM 563 C HIS A 32 4.212 -9.115 1.674 1.00 64.21 C ATOM 564 O HIS A 32 3.174 -9.741 1.890 1.00 71.31 O ATOM 565 CB HIS A 32 4.361 -9.242 -0.820 1.00 3.31 C ATOM 566 CG HIS A 32 3.862 -8.587 -2.071 1.00 11.21 C ATOM 567 ND1 HIS A 32 2.523 -8.385 -2.332 1.00 1.54 N ATOM 568 CD2 HIS A 32 4.531 -8.086 -3.136 1.00 11.35 C ATOM 569 CE1 HIS A 32 2.390 -7.789 -3.503 1.00 61.03 C ATOM 570 NE2 HIS A 32 3.594 -7.596 -4.012 1.00 32.13 N ATOM 0 H HIS A 32 6.451 -8.070 0.104 1.00 33.24 H new ATOM 0 HA HIS A 32 3.560 -7.601 0.313 1.00 64.22 H new ATOM 0 HB2 HIS A 32 5.367 -9.623 -0.996 1.00 3.31 H new ATOM 0 HB3 HIS A 32 3.730 -10.101 -0.593 1.00 3.31 H new ATOM 0 HD1 HIS A 32 1.755 -8.654 -1.717 1.00 1.54 H new ATOM 0 HD2 HIS A 32 5.602 -8.074 -3.271 1.00 11.35 H new ATOM 0 HE1 HIS A 32 1.456 -7.507 -3.966 1.00 61.03 H new ATOM 578 N LEU A 33 5.235 -9.097 2.522 1.00 51.33 N ATOM 579 CA LEU A 33 5.196 -9.827 3.784 1.00 75.42 C ATOM 580 C LEU A 33 5.182 -8.867 4.969 1.00 73.02 C ATOM 581 O LEU A 33 6.013 -7.963 5.058 1.00 74.23 O ATOM 582 CB LEU A 33 6.397 -10.768 3.889 1.00 42.00 C ATOM 583 CG LEU A 33 6.141 -12.111 4.574 1.00 13.31 C ATOM 584 CD1 LEU A 33 5.491 -13.088 3.607 1.00 64.13 C ATOM 585 CD2 LEU A 33 7.438 -12.685 5.125 1.00 51.22 C ATOM 0 H LEU A 33 6.102 -8.585 2.358 1.00 51.33 H new ATOM 0 HA LEU A 33 4.279 -10.415 3.806 1.00 75.42 H new ATOM 0 HB2 LEU A 33 6.770 -10.961 2.883 1.00 42.00 H new ATOM 0 HB3 LEU A 33 7.191 -10.253 4.430 1.00 42.00 H new ATOM 0 HG LEU A 33 5.457 -11.948 5.407 1.00 13.31 H new ATOM 0 HD11 LEU A 33 5.316 -14.038 4.112 1.00 64.13 H new ATOM 0 HD12 LEU A 33 4.541 -12.681 3.262 1.00 64.13 H new ATOM 0 HD13 LEU A 33 6.149 -13.247 2.753 1.00 64.13 H new ATOM 0 HD21 LEU A 33 7.236 -13.641 5.609 1.00 51.22 H new ATOM 0 HD22 LEU A 33 8.146 -12.833 4.309 1.00 51.22 H new ATOM 0 HD23 LEU A 33 7.862 -11.993 5.852 1.00 51.22 H new ATOM 597 N SER A 34 4.234 -9.071 5.878 1.00 12.30 N ATOM 598 CA SER A 34 4.111 -8.222 7.057 1.00 12.04 C ATOM 599 C SER A 34 5.453 -8.083 7.769 1.00 21.33 C ATOM 600 O SER A 34 6.381 -8.863 7.556 1.00 65.22 O ATOM 601 CB SER A 34 3.068 -8.796 8.018 1.00 30.04 C ATOM 602 OG SER A 34 3.686 -9.518 9.069 1.00 31.53 O ATOM 0 H SER A 34 3.540 -9.817 5.821 1.00 12.30 H new ATOM 0 HA SER A 34 3.789 -7.233 6.730 1.00 12.04 H new ATOM 0 HB2 SER A 34 2.467 -7.987 8.433 1.00 30.04 H new ATOM 0 HB3 SER A 34 2.388 -9.451 7.473 1.00 30.04 H new ATOM 0 HG SER A 34 2.998 -9.873 9.670 1.00 31.53 H new ATOM 608 N PRO A 35 5.559 -7.066 8.637 1.00 45.34 N ATOM 609 CA PRO A 35 6.783 -6.800 9.399 1.00 42.33 C ATOM 610 C PRO A 35 7.047 -7.861 10.461 1.00 72.40 C ATOM 611 O PRO A 35 8.175 -8.328 10.618 1.00 54.10 O ATOM 612 CB PRO A 35 6.505 -5.445 10.054 1.00 3.33 C ATOM 613 CG PRO A 35 5.020 -5.364 10.143 1.00 24.55 C ATOM 614 CD PRO A 35 4.493 -6.097 8.941 1.00 41.24 C ATOM 0 HA PRO A 35 7.669 -6.808 8.764 1.00 42.33 H new ATOM 0 HB2 PRO A 35 6.965 -5.380 11.040 1.00 3.33 H new ATOM 0 HB3 PRO A 35 6.911 -4.627 9.459 1.00 3.33 H new ATOM 0 HG2 PRO A 35 4.659 -5.818 11.066 1.00 24.55 H new ATOM 0 HG3 PRO A 35 4.685 -4.327 10.145 1.00 24.55 H new ATOM 0 HD2 PRO A 35 3.547 -6.595 9.157 1.00 41.24 H new ATOM 0 HD3 PRO A 35 4.314 -5.421 8.105 1.00 41.24 H new ATOM 622 N GLU A 36 5.999 -8.239 11.187 1.00 1.31 N ATOM 623 CA GLU A 36 6.119 -9.246 12.235 1.00 44.42 C ATOM 624 C GLU A 36 6.505 -10.600 11.646 1.00 4.33 C ATOM 625 O GLU A 36 7.236 -11.371 12.266 1.00 24.14 O ATOM 626 CB GLU A 36 4.805 -9.369 13.008 1.00 75.35 C ATOM 627 CG GLU A 36 4.653 -8.345 14.120 1.00 44.15 C ATOM 628 CD GLU A 36 3.465 -8.629 15.017 1.00 32.32 C ATOM 629 OE1 GLU A 36 2.336 -8.733 14.493 1.00 23.21 O ATOM 630 OE2 GLU A 36 3.664 -8.748 16.244 1.00 21.34 O ATOM 0 H GLU A 36 5.058 -7.863 11.069 1.00 1.31 H new ATOM 0 HA GLU A 36 6.906 -8.929 12.920 1.00 44.42 H new ATOM 0 HB2 GLU A 36 3.973 -9.263 12.312 1.00 75.35 H new ATOM 0 HB3 GLU A 36 4.737 -10.369 13.435 1.00 75.35 H new ATOM 0 HG2 GLU A 36 5.562 -8.330 14.721 1.00 44.15 H new ATOM 0 HG3 GLU A 36 4.544 -7.353 13.682 1.00 44.15 H new ATOM 637 N GLU A 37 6.008 -10.880 10.446 1.00 72.21 N ATOM 638 CA GLU A 37 6.299 -12.141 9.775 1.00 65.44 C ATOM 639 C GLU A 37 7.732 -12.159 9.249 1.00 72.14 C ATOM 640 O GLU A 37 8.426 -13.172 9.339 1.00 73.22 O ATOM 641 CB GLU A 37 5.319 -12.370 8.623 1.00 74.33 C ATOM 642 CG GLU A 37 4.186 -13.323 8.968 1.00 42.22 C ATOM 643 CD GLU A 37 4.650 -14.762 9.086 1.00 12.34 C ATOM 644 OE1 GLU A 37 5.844 -14.977 9.380 1.00 65.11 O ATOM 645 OE2 GLU A 37 3.819 -15.672 8.886 1.00 52.23 O ATOM 0 H GLU A 37 5.402 -10.251 9.919 1.00 72.21 H new ATOM 0 HA GLU A 37 6.187 -12.944 10.503 1.00 65.44 H new ATOM 0 HB2 GLU A 37 4.897 -11.412 8.320 1.00 74.33 H new ATOM 0 HB3 GLU A 37 5.865 -12.763 7.765 1.00 74.33 H new ATOM 0 HG2 GLU A 37 3.730 -13.014 9.908 1.00 42.22 H new ATOM 0 HG3 GLU A 37 3.414 -13.256 8.202 1.00 42.22 H new ATOM 652 N PHE A 38 8.168 -11.031 8.698 1.00 12.24 N ATOM 653 CA PHE A 38 9.517 -10.916 8.156 1.00 74.10 C ATOM 654 C PHE A 38 10.562 -11.129 9.247 1.00 34.42 C ATOM 655 O PHE A 38 11.560 -11.818 9.038 1.00 11.00 O ATOM 656 CB PHE A 38 9.713 -9.544 7.507 1.00 22.40 C ATOM 657 CG PHE A 38 10.496 -9.594 6.226 1.00 73.01 C ATOM 658 CD1 PHE A 38 9.959 -10.185 5.093 1.00 11.43 C ATOM 659 CD2 PHE A 38 11.768 -9.050 6.154 1.00 13.41 C ATOM 660 CE1 PHE A 38 10.677 -10.232 3.914 1.00 62.25 C ATOM 661 CE2 PHE A 38 12.491 -9.094 4.977 1.00 53.21 C ATOM 662 CZ PHE A 38 11.944 -9.685 3.855 1.00 61.12 C ATOM 0 H PHE A 38 7.607 -10.183 8.615 1.00 12.24 H new ATOM 0 HA PHE A 38 9.645 -11.690 7.399 1.00 74.10 H new ATOM 0 HB2 PHE A 38 8.737 -9.101 7.310 1.00 22.40 H new ATOM 0 HB3 PHE A 38 10.224 -8.888 8.211 1.00 22.40 H new ATOM 0 HD1 PHE A 38 8.968 -10.613 5.133 1.00 11.43 H new ATOM 0 HD2 PHE A 38 12.200 -8.586 7.028 1.00 13.41 H new ATOM 0 HE1 PHE A 38 10.248 -10.696 3.038 1.00 62.25 H new ATOM 0 HE2 PHE A 38 13.482 -8.667 4.935 1.00 53.21 H new ATOM 0 HZ PHE A 38 12.506 -9.719 2.933 1.00 61.12 H new ATOM 672 N GLN A 39 10.323 -10.533 10.411 1.00 45.01 N ATOM 673 CA GLN A 39 11.244 -10.656 11.535 1.00 64.54 C ATOM 674 C GLN A 39 11.077 -12.003 12.230 1.00 32.33 C ATOM 675 O GLN A 39 11.994 -12.489 12.891 1.00 1.23 O ATOM 676 CB GLN A 39 11.018 -9.521 12.534 1.00 11.02 C ATOM 677 CG GLN A 39 9.642 -9.545 13.181 1.00 63.13 C ATOM 678 CD GLN A 39 9.566 -10.501 14.355 1.00 0.31 C ATOM 679 OE1 GLN A 39 10.588 -10.883 14.927 1.00 55.41 O ATOM 680 NE2 GLN A 39 8.351 -10.893 14.722 1.00 45.22 N ATOM 0 H GLN A 39 9.500 -9.961 10.600 1.00 45.01 H new ATOM 0 HA GLN A 39 12.261 -10.591 11.148 1.00 64.54 H new ATOM 0 HB2 GLN A 39 11.778 -9.577 13.313 1.00 11.02 H new ATOM 0 HB3 GLN A 39 11.154 -8.567 12.024 1.00 11.02 H new ATOM 0 HG2 GLN A 39 9.386 -8.541 13.518 1.00 63.13 H new ATOM 0 HG3 GLN A 39 8.899 -9.831 12.436 1.00 63.13 H new ATOM 0 HE21 GLN A 39 7.532 -10.551 14.220 1.00 45.22 H new ATOM 0 HE22 GLN A 39 8.238 -11.535 15.506 1.00 45.22 H new ATOM 689 N GLU A 40 9.899 -12.601 12.077 1.00 42.23 N ATOM 690 CA GLU A 40 9.612 -13.891 12.692 1.00 61.21 C ATOM 691 C GLU A 40 10.130 -15.035 11.824 1.00 11.23 C ATOM 692 O GLU A 40 10.502 -16.093 12.330 1.00 25.44 O ATOM 693 CB GLU A 40 8.107 -14.050 12.919 1.00 42.42 C ATOM 694 CG GLU A 40 7.718 -15.397 13.503 1.00 22.13 C ATOM 695 CD GLU A 40 8.182 -15.567 14.937 1.00 42.11 C ATOM 696 OE1 GLU A 40 7.537 -14.997 15.841 1.00 4.54 O ATOM 697 OE2 GLU A 40 9.191 -16.271 15.154 1.00 53.01 O ATOM 0 H GLU A 40 9.129 -12.212 11.533 1.00 42.23 H new ATOM 0 HA GLU A 40 10.123 -13.927 13.654 1.00 61.21 H new ATOM 0 HB2 GLU A 40 7.764 -13.261 13.588 1.00 42.42 H new ATOM 0 HB3 GLU A 40 7.589 -13.912 11.970 1.00 42.42 H new ATOM 0 HG2 GLU A 40 6.635 -15.508 13.460 1.00 22.13 H new ATOM 0 HG3 GLU A 40 8.145 -16.191 12.890 1.00 22.13 H new ATOM 704 N VAL A 41 10.150 -14.813 10.514 1.00 75.53 N ATOM 705 CA VAL A 41 10.622 -15.824 9.575 1.00 74.03 C ATOM 706 C VAL A 41 12.128 -15.720 9.367 1.00 24.33 C ATOM 707 O VAL A 41 12.780 -16.689 8.976 1.00 41.45 O ATOM 708 CB VAL A 41 9.917 -15.696 8.211 1.00 33.12 C ATOM 709 CG1 VAL A 41 8.413 -15.861 8.370 1.00 51.12 C ATOM 710 CG2 VAL A 41 10.250 -14.361 7.563 1.00 13.20 C ATOM 0 H VAL A 41 9.845 -13.942 10.079 1.00 75.53 H new ATOM 0 HA VAL A 41 10.384 -16.795 10.009 1.00 74.03 H new ATOM 0 HB VAL A 41 10.278 -16.491 7.558 1.00 33.12 H new ATOM 0 HG11 VAL A 41 7.932 -15.768 7.396 1.00 51.12 H new ATOM 0 HG12 VAL A 41 8.197 -16.844 8.789 1.00 51.12 H new ATOM 0 HG13 VAL A 41 8.031 -15.090 9.039 1.00 51.12 H new ATOM 0 HG21 VAL A 41 9.744 -14.287 6.600 1.00 13.20 H new ATOM 0 HG22 VAL A 41 9.918 -13.549 8.211 1.00 13.20 H new ATOM 0 HG23 VAL A 41 11.327 -14.288 7.413 1.00 13.20 H new ATOM 720 N PHE A 42 12.677 -14.539 9.633 1.00 33.41 N ATOM 721 CA PHE A 42 14.108 -14.308 9.475 1.00 31.12 C ATOM 722 C PHE A 42 14.856 -14.625 10.767 1.00 73.11 C ATOM 723 O PHE A 42 15.891 -15.290 10.751 1.00 50.43 O ATOM 724 CB PHE A 42 14.369 -12.858 9.064 1.00 3.31 C ATOM 725 CG PHE A 42 14.211 -12.614 7.590 1.00 30.54 C ATOM 726 CD1 PHE A 42 13.273 -13.321 6.855 1.00 21.41 C ATOM 727 CD2 PHE A 42 14.999 -11.679 6.941 1.00 45.25 C ATOM 728 CE1 PHE A 42 13.126 -13.100 5.499 1.00 61.02 C ATOM 729 CE2 PHE A 42 14.857 -11.453 5.584 1.00 14.24 C ATOM 730 CZ PHE A 42 13.918 -12.164 4.863 1.00 51.21 C ATOM 0 H PHE A 42 12.152 -13.727 9.959 1.00 33.41 H new ATOM 0 HA PHE A 42 14.474 -14.972 8.692 1.00 31.12 H new ATOM 0 HB2 PHE A 42 13.685 -12.206 9.607 1.00 3.31 H new ATOM 0 HB3 PHE A 42 15.379 -12.580 9.364 1.00 3.31 H new ATOM 0 HD1 PHE A 42 12.650 -14.053 7.347 1.00 21.41 H new ATOM 0 HD2 PHE A 42 15.733 -11.119 7.501 1.00 45.25 H new ATOM 0 HE1 PHE A 42 12.392 -13.659 4.937 1.00 61.02 H new ATOM 0 HE2 PHE A 42 15.479 -10.722 5.089 1.00 14.24 H new ATOM 0 HZ PHE A 42 13.803 -11.988 3.804 1.00 51.21 H new ATOM 740 N GLY A 43 14.323 -14.143 11.886 1.00 71.41 N ATOM 741 CA GLY A 43 14.953 -14.385 13.171 1.00 15.50 C ATOM 742 C GLY A 43 15.301 -13.100 13.896 1.00 0.21 C ATOM 743 O GLY A 43 15.125 -12.997 15.110 1.00 62.13 O ATOM 0 H GLY A 43 13.467 -13.590 11.925 1.00 71.41 H new ATOM 0 HA2 GLY A 43 14.285 -14.981 13.793 1.00 15.50 H new ATOM 0 HA3 GLY A 43 15.859 -14.972 13.023 1.00 15.50 H new ATOM 747 N MET A 44 15.798 -12.118 13.151 1.00 2.11 N ATOM 748 CA MET A 44 16.173 -10.834 13.731 1.00 12.54 C ATOM 749 C MET A 44 14.948 -9.944 13.920 1.00 31.32 C ATOM 750 O MET A 44 13.813 -10.389 13.747 1.00 65.43 O ATOM 751 CB MET A 44 17.198 -10.127 12.842 1.00 71.41 C ATOM 752 CG MET A 44 16.809 -10.096 11.373 1.00 73.42 C ATOM 753 SD MET A 44 17.654 -11.360 10.403 1.00 4.33 S ATOM 754 CE MET A 44 18.481 -10.349 9.178 1.00 45.22 C ATOM 0 H MET A 44 15.950 -12.187 12.145 1.00 2.11 H new ATOM 0 HA MET A 44 16.619 -11.022 14.708 1.00 12.54 H new ATOM 0 HB2 MET A 44 17.330 -9.105 13.196 1.00 71.41 H new ATOM 0 HB3 MET A 44 18.161 -10.627 12.944 1.00 71.41 H new ATOM 0 HG2 MET A 44 15.732 -10.235 11.284 1.00 73.42 H new ATOM 0 HG3 MET A 44 17.039 -9.113 10.961 1.00 73.42 H new ATOM 0 HE1 MET A 44 19.468 -10.763 8.971 1.00 45.22 H new ATOM 0 HE2 MET A 44 17.893 -10.336 8.260 1.00 45.22 H new ATOM 0 HE3 MET A 44 18.586 -9.332 9.556 1.00 45.22 H new ATOM 764 N SER A 45 15.185 -8.686 14.277 1.00 51.02 N ATOM 765 CA SER A 45 14.100 -7.736 14.493 1.00 3.42 C ATOM 766 C SER A 45 13.795 -6.960 13.215 1.00 34.14 C ATOM 767 O SER A 45 14.680 -6.723 12.393 1.00 22.43 O ATOM 768 CB SER A 45 14.462 -6.764 15.619 1.00 70.34 C ATOM 769 OG SER A 45 14.721 -5.468 15.109 1.00 5.43 O ATOM 0 H SER A 45 16.118 -8.301 14.423 1.00 51.02 H new ATOM 0 HA SER A 45 13.210 -8.297 14.778 1.00 3.42 H new ATOM 0 HB2 SER A 45 13.646 -6.718 16.341 1.00 70.34 H new ATOM 0 HB3 SER A 45 15.339 -7.131 16.152 1.00 70.34 H new ATOM 0 HG SER A 45 14.948 -4.865 15.848 1.00 5.43 H new ATOM 775 N ILE A 46 12.535 -6.568 13.056 1.00 2.42 N ATOM 776 CA ILE A 46 12.112 -5.818 11.880 1.00 60.22 C ATOM 777 C ILE A 46 12.962 -4.566 11.691 1.00 71.34 C ATOM 778 O ILE A 46 13.187 -4.121 10.566 1.00 75.55 O ATOM 779 CB ILE A 46 10.630 -5.409 11.976 1.00 63.44 C ATOM 780 CG1 ILE A 46 10.063 -5.137 10.581 1.00 13.42 C ATOM 781 CG2 ILE A 46 10.475 -4.185 12.866 1.00 60.25 C ATOM 782 CD1 ILE A 46 10.215 -3.698 10.138 1.00 60.54 C ATOM 0 H ILE A 46 11.790 -6.757 13.726 1.00 2.42 H new ATOM 0 HA ILE A 46 12.244 -6.477 11.022 1.00 60.22 H new ATOM 0 HB ILE A 46 10.069 -6.230 12.422 1.00 63.44 H new ATOM 0 HG12 ILE A 46 10.563 -5.785 9.861 1.00 13.42 H new ATOM 0 HG13 ILE A 46 9.006 -5.403 10.569 1.00 13.42 H new ATOM 0 HG21 ILE A 46 9.422 -3.908 12.924 1.00 60.25 H new ATOM 0 HG22 ILE A 46 10.846 -4.412 13.865 1.00 60.25 H new ATOM 0 HG23 ILE A 46 11.046 -3.356 12.447 1.00 60.25 H new ATOM 0 HD11 ILE A 46 9.792 -3.578 9.141 1.00 60.54 H new ATOM 0 HD12 ILE A 46 9.691 -3.045 10.836 1.00 60.54 H new ATOM 0 HD13 ILE A 46 11.272 -3.433 10.118 1.00 60.54 H new ATOM 794 N GLU A 47 13.433 -4.004 12.799 1.00 31.14 N ATOM 795 CA GLU A 47 14.259 -2.804 12.755 1.00 44.43 C ATOM 796 C GLU A 47 15.576 -3.076 12.032 1.00 12.14 C ATOM 797 O GLU A 47 16.070 -2.234 11.284 1.00 40.41 O ATOM 798 CB GLU A 47 14.538 -2.296 14.171 1.00 33.11 C ATOM 799 CG GLU A 47 13.308 -2.278 15.064 1.00 62.22 C ATOM 800 CD GLU A 47 13.485 -1.394 16.283 1.00 42.23 C ATOM 801 OE1 GLU A 47 13.558 -0.159 16.115 1.00 53.31 O ATOM 802 OE2 GLU A 47 13.551 -1.938 17.405 1.00 13.11 O ATOM 0 H GLU A 47 13.257 -4.361 13.738 1.00 31.14 H new ATOM 0 HA GLU A 47 13.712 -2.039 12.204 1.00 44.43 H new ATOM 0 HB2 GLU A 47 15.301 -2.925 14.630 1.00 33.11 H new ATOM 0 HB3 GLU A 47 14.949 -1.288 14.112 1.00 33.11 H new ATOM 0 HG2 GLU A 47 12.451 -1.929 14.488 1.00 62.22 H new ATOM 0 HG3 GLU A 47 13.083 -3.295 15.387 1.00 62.22 H new ATOM 809 N GLU A 48 16.137 -4.258 12.264 1.00 65.42 N ATOM 810 CA GLU A 48 17.397 -4.641 11.636 1.00 10.05 C ATOM 811 C GLU A 48 17.295 -4.556 10.116 1.00 4.22 C ATOM 812 O GLU A 48 18.209 -4.071 9.448 1.00 30.30 O ATOM 813 CB GLU A 48 17.790 -6.060 12.054 1.00 50.33 C ATOM 814 CG GLU A 48 19.276 -6.344 11.918 1.00 24.24 C ATOM 815 CD GLU A 48 19.649 -7.737 12.388 1.00 71.11 C ATOM 816 OE1 GLU A 48 19.645 -7.970 13.615 1.00 1.50 O ATOM 817 OE2 GLU A 48 19.944 -8.594 11.529 1.00 22.12 O ATOM 0 H GLU A 48 15.740 -4.967 12.881 1.00 65.42 H new ATOM 0 HA GLU A 48 18.167 -3.945 11.970 1.00 10.05 H new ATOM 0 HB2 GLU A 48 17.491 -6.221 13.090 1.00 50.33 H new ATOM 0 HB3 GLU A 48 17.235 -6.775 11.447 1.00 50.33 H new ATOM 0 HG2 GLU A 48 19.571 -6.225 10.875 1.00 24.24 H new ATOM 0 HG3 GLU A 48 19.837 -5.608 12.494 1.00 24.24 H new ATOM 824 N PHE A 49 16.178 -5.031 9.576 1.00 10.13 N ATOM 825 CA PHE A 49 15.957 -5.010 8.135 1.00 34.50 C ATOM 826 C PHE A 49 16.049 -3.588 7.591 1.00 61.03 C ATOM 827 O PHE A 49 16.828 -3.310 6.679 1.00 61.44 O ATOM 828 CB PHE A 49 14.589 -5.609 7.799 1.00 21.13 C ATOM 829 CG PHE A 49 14.362 -6.964 8.407 1.00 42.12 C ATOM 830 CD1 PHE A 49 15.375 -7.910 8.421 1.00 13.44 C ATOM 831 CD2 PHE A 49 13.136 -7.292 8.963 1.00 42.21 C ATOM 832 CE1 PHE A 49 15.169 -9.157 8.980 1.00 24.11 C ATOM 833 CE2 PHE A 49 12.925 -8.537 9.523 1.00 22.43 C ATOM 834 CZ PHE A 49 13.943 -9.472 9.531 1.00 54.32 C ATOM 0 H PHE A 49 15.412 -5.435 10.114 1.00 10.13 H new ATOM 0 HA PHE A 49 16.735 -5.611 7.665 1.00 34.50 H new ATOM 0 HB2 PHE A 49 13.809 -4.930 8.144 1.00 21.13 H new ATOM 0 HB3 PHE A 49 14.490 -5.684 6.716 1.00 21.13 H new ATOM 0 HD1 PHE A 49 16.336 -7.670 7.990 1.00 13.44 H new ATOM 0 HD2 PHE A 49 12.336 -6.566 8.959 1.00 42.21 H new ATOM 0 HE1 PHE A 49 15.967 -9.885 8.986 1.00 24.11 H new ATOM 0 HE2 PHE A 49 11.965 -8.780 9.954 1.00 22.43 H new ATOM 0 HZ PHE A 49 13.780 -10.446 9.967 1.00 54.32 H new ATOM 844 N ASP A 50 15.249 -2.691 8.156 1.00 35.52 N ATOM 845 CA ASP A 50 15.239 -1.297 7.729 1.00 64.20 C ATOM 846 C ASP A 50 16.636 -0.690 7.825 1.00 72.43 C ATOM 847 O ASP A 50 17.028 0.124 6.989 1.00 60.12 O ATOM 848 CB ASP A 50 14.259 -0.488 8.579 1.00 53.54 C ATOM 849 CG ASP A 50 13.774 0.762 7.870 1.00 12.13 C ATOM 850 OD1 ASP A 50 14.222 1.011 6.732 1.00 64.05 O ATOM 851 OD2 ASP A 50 12.945 1.491 8.454 1.00 30.24 O ATOM 0 H ASP A 50 14.598 -2.905 8.912 1.00 35.52 H new ATOM 0 HA ASP A 50 14.918 -1.264 6.688 1.00 64.20 H new ATOM 0 HB2 ASP A 50 13.403 -1.112 8.835 1.00 53.54 H new ATOM 0 HB3 ASP A 50 14.741 -0.207 9.516 1.00 53.54 H new ATOM 856 N ARG A 51 17.381 -1.092 8.849 1.00 12.34 N ATOM 857 CA ARG A 51 18.733 -0.586 9.056 1.00 55.34 C ATOM 858 C ARG A 51 19.708 -1.225 8.072 1.00 42.54 C ATOM 859 O ARG A 51 20.744 -0.644 7.742 1.00 33.44 O ATOM 860 CB ARG A 51 19.188 -0.857 10.491 1.00 40.24 C ATOM 861 CG ARG A 51 18.893 0.285 11.449 1.00 13.04 C ATOM 862 CD ARG A 51 17.515 0.143 12.078 1.00 63.32 C ATOM 863 NE ARG A 51 17.268 1.164 13.092 1.00 41.32 N ATOM 864 CZ ARG A 51 16.054 1.518 13.497 1.00 12.45 C ATOM 865 NH1 ARG A 51 14.982 0.936 12.978 1.00 13.04 N ATOM 866 NH2 ARG A 51 15.910 2.456 14.425 1.00 41.52 N ATOM 0 H ARG A 51 17.072 -1.767 9.549 1.00 12.34 H new ATOM 0 HA ARG A 51 18.722 0.490 8.883 1.00 55.34 H new ATOM 0 HB2 ARG A 51 18.698 -1.760 10.854 1.00 40.24 H new ATOM 0 HB3 ARG A 51 20.260 -1.053 10.492 1.00 40.24 H new ATOM 0 HG2 ARG A 51 19.651 0.309 12.232 1.00 13.04 H new ATOM 0 HG3 ARG A 51 18.955 1.234 10.916 1.00 13.04 H new ATOM 0 HD2 ARG A 51 16.753 0.212 11.301 1.00 63.32 H new ATOM 0 HD3 ARG A 51 17.422 -0.845 12.529 1.00 63.32 H new ATOM 0 HE ARG A 51 18.072 1.631 13.512 1.00 41.32 H new ATOM 0 HH11 ARG A 51 15.088 0.214 12.265 1.00 13.04 H new ATOM 0 HH12 ARG A 51 14.051 1.210 13.291 1.00 13.04 H new ATOM 0 HH21 ARG A 51 16.732 2.906 14.828 1.00 41.52 H new ATOM 0 HH22 ARG A 51 14.977 2.727 14.735 1.00 41.52 H new ATOM 880 N LEU A 52 19.371 -2.422 7.606 1.00 63.20 N ATOM 881 CA LEU A 52 20.218 -3.141 6.660 1.00 55.24 C ATOM 882 C LEU A 52 20.026 -2.607 5.244 1.00 60.14 C ATOM 883 O LEU A 52 19.152 -1.777 4.996 1.00 43.24 O ATOM 884 CB LEU A 52 19.904 -4.638 6.699 1.00 0.54 C ATOM 885 CG LEU A 52 20.481 -5.413 7.884 1.00 0.14 C ATOM 886 CD1 LEU A 52 19.853 -6.795 7.975 1.00 52.12 C ATOM 887 CD2 LEU A 52 21.994 -5.520 7.766 1.00 44.42 C ATOM 0 H LEU A 52 18.517 -2.916 7.867 1.00 63.20 H new ATOM 0 HA LEU A 52 21.257 -2.986 6.950 1.00 55.24 H new ATOM 0 HB2 LEU A 52 18.821 -4.762 6.702 1.00 0.54 H new ATOM 0 HB3 LEU A 52 20.274 -5.091 5.779 1.00 0.54 H new ATOM 0 HG LEU A 52 20.246 -4.868 8.798 1.00 0.14 H new ATOM 0 HD11 LEU A 52 20.276 -7.332 8.824 1.00 52.12 H new ATOM 0 HD12 LEU A 52 18.776 -6.697 8.108 1.00 52.12 H new ATOM 0 HD13 LEU A 52 20.057 -7.348 7.058 1.00 52.12 H new ATOM 0 HD21 LEU A 52 22.387 -6.075 8.618 1.00 44.42 H new ATOM 0 HD22 LEU A 52 22.251 -6.041 6.844 1.00 44.42 H new ATOM 0 HD23 LEU A 52 22.429 -4.521 7.751 1.00 44.42 H new ATOM 899 N ALA A 53 20.848 -3.091 4.318 1.00 33.31 N ATOM 900 CA ALA A 53 20.766 -2.666 2.926 1.00 30.32 C ATOM 901 C ALA A 53 19.940 -3.647 2.100 1.00 3.23 C ATOM 902 O ALA A 53 19.558 -4.713 2.584 1.00 75.22 O ATOM 903 CB ALA A 53 22.161 -2.520 2.336 1.00 32.22 C ATOM 0 H ALA A 53 21.578 -3.778 4.507 1.00 33.31 H new ATOM 0 HA ALA A 53 20.267 -1.697 2.896 1.00 30.32 H new ATOM 0 HB1 ALA A 53 22.085 -2.202 1.296 1.00 32.22 H new ATOM 0 HB2 ALA A 53 22.720 -1.775 2.903 1.00 32.22 H new ATOM 0 HB3 ALA A 53 22.679 -3.478 2.386 1.00 32.22 H new ATOM 909 N LEU A 54 19.668 -3.280 0.853 1.00 1.30 N ATOM 910 CA LEU A 54 18.886 -4.127 -0.041 1.00 25.33 C ATOM 911 C LEU A 54 19.560 -5.482 -0.233 1.00 74.51 C ATOM 912 O LEU A 54 18.955 -6.527 0.009 1.00 13.23 O ATOM 913 CB LEU A 54 18.701 -3.440 -1.395 1.00 22.22 C ATOM 914 CG LEU A 54 17.373 -3.704 -2.105 1.00 64.45 C ATOM 915 CD1 LEU A 54 17.553 -3.637 -3.614 1.00 53.21 C ATOM 916 CD2 LEU A 54 16.808 -5.056 -1.694 1.00 13.23 C ATOM 0 H LEU A 54 19.977 -2.401 0.438 1.00 1.30 H new ATOM 0 HA LEU A 54 17.908 -4.288 0.413 1.00 25.33 H new ATOM 0 HB2 LEU A 54 18.806 -2.365 -1.252 1.00 22.22 H new ATOM 0 HB3 LEU A 54 19.511 -3.754 -2.053 1.00 22.22 H new ATOM 0 HG LEU A 54 16.664 -2.931 -1.809 1.00 64.45 H new ATOM 0 HD11 LEU A 54 16.598 -3.827 -4.103 1.00 53.21 H new ATOM 0 HD12 LEU A 54 17.913 -2.647 -3.894 1.00 53.21 H new ATOM 0 HD13 LEU A 54 18.277 -4.389 -3.928 1.00 53.21 H new ATOM 0 HD21 LEU A 54 15.863 -5.227 -2.209 1.00 13.23 H new ATOM 0 HD22 LEU A 54 17.514 -5.842 -1.961 1.00 13.23 H new ATOM 0 HD23 LEU A 54 16.642 -5.069 -0.617 1.00 13.23 H new ATOM 928 N TRP A 55 20.814 -5.457 -0.668 1.00 22.31 N ATOM 929 CA TRP A 55 21.570 -6.684 -0.890 1.00 65.45 C ATOM 930 C TRP A 55 21.372 -7.663 0.262 1.00 51.12 C ATOM 931 O TRP A 55 21.240 -8.869 0.050 1.00 0.43 O ATOM 932 CB TRP A 55 23.058 -6.368 -1.057 1.00 33.22 C ATOM 933 CG TRP A 55 23.719 -5.934 0.216 1.00 33.25 C ATOM 934 CD1 TRP A 55 23.852 -4.655 0.676 1.00 33.01 C ATOM 935 CD2 TRP A 55 24.338 -6.780 1.192 1.00 40.41 C ATOM 936 NE1 TRP A 55 24.517 -4.654 1.879 1.00 74.44 N ATOM 937 CE2 TRP A 55 24.825 -5.945 2.217 1.00 20.42 C ATOM 938 CE3 TRP A 55 24.527 -8.160 1.300 1.00 11.01 C ATOM 939 CZ2 TRP A 55 25.489 -6.448 3.333 1.00 34.12 C ATOM 940 CZ3 TRP A 55 25.186 -8.657 2.408 1.00 30.22 C ATOM 941 CH2 TRP A 55 25.660 -7.803 3.413 1.00 33.42 C ATOM 0 H TRP A 55 21.329 -4.601 -0.874 1.00 22.31 H new ATOM 0 HA TRP A 55 21.199 -7.148 -1.804 1.00 65.45 H new ATOM 0 HB2 TRP A 55 23.569 -7.251 -1.441 1.00 33.22 H new ATOM 0 HB3 TRP A 55 23.174 -5.583 -1.804 1.00 33.22 H new ATOM 0 HD1 TRP A 55 23.488 -3.774 0.169 1.00 33.01 H new ATOM 0 HE1 TRP A 55 24.744 -3.826 2.430 1.00 74.44 H new ATOM 0 HE3 TRP A 55 24.165 -8.826 0.531 1.00 11.01 H new ATOM 0 HZ2 TRP A 55 25.856 -5.792 4.108 1.00 34.12 H new ATOM 0 HZ3 TRP A 55 25.338 -9.722 2.501 1.00 30.22 H new ATOM 0 HH2 TRP A 55 26.170 -8.223 4.267 1.00 33.42 H new ATOM 952 N LYS A 56 21.351 -7.137 1.482 1.00 62.11 N ATOM 953 CA LYS A 56 21.167 -7.964 2.669 1.00 50.32 C ATOM 954 C LYS A 56 19.743 -8.506 2.739 1.00 50.14 C ATOM 955 O LYS A 56 19.533 -9.701 2.946 1.00 64.21 O ATOM 956 CB LYS A 56 21.479 -7.157 3.931 1.00 3.30 C ATOM 957 CG LYS A 56 21.634 -8.012 5.177 1.00 55.31 C ATOM 958 CD LYS A 56 23.024 -8.618 5.268 1.00 33.43 C ATOM 959 CE LYS A 56 23.239 -9.321 6.600 1.00 74.31 C ATOM 960 NZ LYS A 56 24.659 -9.249 7.043 1.00 54.44 N ATOM 0 H LYS A 56 21.459 -6.141 1.675 1.00 62.11 H new ATOM 0 HA LYS A 56 21.855 -8.807 2.604 1.00 50.32 H new ATOM 0 HB2 LYS A 56 22.397 -6.591 3.772 1.00 3.30 H new ATOM 0 HB3 LYS A 56 20.682 -6.432 4.095 1.00 3.30 H new ATOM 0 HG2 LYS A 56 21.442 -7.405 6.062 1.00 55.31 H new ATOM 0 HG3 LYS A 56 20.889 -8.808 5.168 1.00 55.31 H new ATOM 0 HD2 LYS A 56 23.167 -9.328 4.453 1.00 33.43 H new ATOM 0 HD3 LYS A 56 23.772 -7.835 5.143 1.00 33.43 H new ATOM 0 HE2 LYS A 56 22.599 -8.868 7.357 1.00 74.31 H new ATOM 0 HE3 LYS A 56 22.939 -10.365 6.512 1.00 74.31 H new ATOM 0 HZ1 LYS A 56 24.764 -9.739 7.954 1.00 54.44 H new ATOM 0 HZ2 LYS A 56 25.268 -9.704 6.333 1.00 54.44 H new ATOM 0 HZ3 LYS A 56 24.939 -8.253 7.152 1.00 54.44 H new ATOM 974 N ARG A 57 18.768 -7.620 2.563 1.00 41.10 N ATOM 975 CA ARG A 57 17.364 -8.010 2.606 1.00 60.31 C ATOM 976 C ARG A 57 17.074 -9.109 1.587 1.00 12.25 C ATOM 977 O ARG A 57 16.297 -10.025 1.853 1.00 63.41 O ATOM 978 CB ARG A 57 16.468 -6.800 2.336 1.00 33.33 C ATOM 979 CG ARG A 57 16.869 -5.559 3.117 1.00 72.22 C ATOM 980 CD ARG A 57 15.707 -5.015 3.933 1.00 20.02 C ATOM 981 NE ARG A 57 14.595 -4.589 3.087 1.00 25.11 N ATOM 982 CZ ARG A 57 14.550 -3.413 2.471 1.00 73.32 C ATOM 983 NH1 ARG A 57 15.548 -2.551 2.605 1.00 30.23 N ATOM 984 NH2 ARG A 57 13.504 -3.098 1.718 1.00 52.05 N ATOM 0 H ARG A 57 18.925 -6.627 2.389 1.00 41.10 H new ATOM 0 HA ARG A 57 17.150 -8.396 3.603 1.00 60.31 H new ATOM 0 HB2 ARG A 57 16.491 -6.572 1.270 1.00 33.33 H new ATOM 0 HB3 ARG A 57 15.439 -7.058 2.584 1.00 33.33 H new ATOM 0 HG2 ARG A 57 17.700 -5.798 3.780 1.00 72.22 H new ATOM 0 HG3 ARG A 57 17.222 -4.792 2.428 1.00 72.22 H new ATOM 0 HD2 ARG A 57 15.361 -5.781 4.627 1.00 20.02 H new ATOM 0 HD3 ARG A 57 16.049 -4.172 4.533 1.00 20.02 H new ATOM 0 HE ARG A 57 13.811 -5.229 2.963 1.00 25.11 H new ATOM 0 HH11 ARG A 57 16.354 -2.790 3.183 1.00 30.23 H new ATOM 0 HH12 ARG A 57 15.510 -1.649 2.130 1.00 30.23 H new ATOM 0 HH21 ARG A 57 12.734 -3.759 1.612 1.00 52.05 H new ATOM 0 HH22 ARG A 57 13.470 -2.195 1.245 1.00 52.05 H new ATOM 998 N ASN A 58 17.703 -9.008 0.421 1.00 20.50 N ATOM 999 CA ASN A 58 17.511 -9.993 -0.638 1.00 5.21 C ATOM 1000 C ASN A 58 18.086 -11.347 -0.233 1.00 2.35 C ATOM 1001 O ASN A 58 17.401 -12.367 -0.295 1.00 34.42 O ATOM 1002 CB ASN A 58 18.170 -9.514 -1.933 1.00 40.22 C ATOM 1003 CG ASN A 58 17.222 -8.708 -2.800 1.00 51.01 C ATOM 1004 OD1 ASN A 58 16.065 -9.084 -2.990 1.00 0.25 O ATOM 1005 ND2 ASN A 58 17.710 -7.593 -3.332 1.00 34.13 N ATOM 0 H ASN A 58 18.349 -8.255 0.185 1.00 20.50 H new ATOM 0 HA ASN A 58 16.440 -10.108 -0.803 1.00 5.21 H new ATOM 0 HB2 ASN A 58 19.042 -8.906 -1.691 1.00 40.22 H new ATOM 0 HB3 ASN A 58 18.529 -10.376 -2.496 1.00 40.22 H new ATOM 0 HD21 ASN A 58 17.119 -7.010 -3.925 1.00 34.13 H new ATOM 0 HD22 ASN A 58 18.675 -7.320 -3.147 1.00 34.13 H new ATOM 1012 N ASP A 59 19.348 -11.347 0.183 1.00 31.00 N ATOM 1013 CA ASP A 59 20.015 -12.575 0.601 1.00 41.34 C ATOM 1014 C ASP A 59 19.208 -13.292 1.678 1.00 21.32 C ATOM 1015 O ASP A 59 18.900 -14.478 1.552 1.00 62.21 O ATOM 1016 CB ASP A 59 21.420 -12.266 1.119 1.00 3.33 C ATOM 1017 CG ASP A 59 22.179 -13.517 1.517 1.00 14.34 C ATOM 1018 OD1 ASP A 59 22.639 -14.245 0.613 1.00 3.21 O ATOM 1019 OD2 ASP A 59 22.312 -13.767 2.733 1.00 22.23 O ATOM 0 H ASP A 59 19.929 -10.511 0.240 1.00 31.00 H new ATOM 0 HA ASP A 59 20.092 -13.231 -0.266 1.00 41.34 H new ATOM 0 HB2 ASP A 59 21.979 -11.735 0.349 1.00 3.33 H new ATOM 0 HB3 ASP A 59 21.349 -11.599 1.978 1.00 3.33 H new ATOM 1024 N LEU A 60 18.869 -12.566 2.738 1.00 63.41 N ATOM 1025 CA LEU A 60 18.099 -13.134 3.839 1.00 14.40 C ATOM 1026 C LEU A 60 16.773 -13.701 3.341 1.00 65.24 C ATOM 1027 O LEU A 60 16.315 -14.743 3.811 1.00 3.31 O ATOM 1028 CB LEU A 60 17.841 -12.070 4.908 1.00 22.42 C ATOM 1029 CG LEU A 60 19.082 -11.426 5.527 1.00 64.32 C ATOM 1030 CD1 LEU A 60 18.782 -10.001 5.965 1.00 63.24 C ATOM 1031 CD2 LEU A 60 19.583 -12.253 6.702 1.00 34.13 C ATOM 0 H LEU A 60 19.115 -11.583 2.858 1.00 63.41 H new ATOM 0 HA LEU A 60 18.680 -13.947 4.275 1.00 14.40 H new ATOM 0 HB2 LEU A 60 17.229 -11.283 4.468 1.00 22.42 H new ATOM 0 HB3 LEU A 60 17.254 -12.522 5.707 1.00 22.42 H new ATOM 0 HG LEU A 60 19.866 -11.394 4.771 1.00 64.32 H new ATOM 0 HD11 LEU A 60 19.677 -9.559 6.403 1.00 63.24 H new ATOM 0 HD12 LEU A 60 18.472 -9.413 5.101 1.00 63.24 H new ATOM 0 HD13 LEU A 60 17.982 -10.009 6.705 1.00 63.24 H new ATOM 0 HD21 LEU A 60 20.467 -11.779 7.130 1.00 34.13 H new ATOM 0 HD22 LEU A 60 18.803 -12.318 7.460 1.00 34.13 H new ATOM 0 HD23 LEU A 60 19.839 -13.255 6.359 1.00 34.13 H new ATOM 1043 N LYS A 61 16.163 -13.011 2.384 1.00 54.32 N ATOM 1044 CA LYS A 61 14.892 -13.447 1.818 1.00 54.54 C ATOM 1045 C LYS A 61 15.011 -14.848 1.228 1.00 34.31 C ATOM 1046 O LYS A 61 14.240 -15.745 1.571 1.00 21.15 O ATOM 1047 CB LYS A 61 14.427 -12.466 0.739 1.00 44.34 C ATOM 1048 CG LYS A 61 13.483 -11.394 1.256 1.00 61.40 C ATOM 1049 CD LYS A 61 12.689 -10.759 0.127 1.00 0.42 C ATOM 1050 CE LYS A 61 13.433 -9.581 -0.483 1.00 10.41 C ATOM 1051 NZ LYS A 61 12.539 -8.734 -1.320 1.00 41.35 N ATOM 0 H LYS A 61 16.528 -12.147 1.984 1.00 54.32 H new ATOM 0 HA LYS A 61 14.155 -13.471 2.621 1.00 54.54 H new ATOM 0 HB2 LYS A 61 15.300 -11.986 0.296 1.00 44.34 H new ATOM 0 HB3 LYS A 61 13.931 -13.022 -0.056 1.00 44.34 H new ATOM 0 HG2 LYS A 61 12.798 -11.831 1.983 1.00 61.40 H new ATOM 0 HG3 LYS A 61 14.054 -10.626 1.777 1.00 61.40 H new ATOM 0 HD2 LYS A 61 12.491 -11.504 -0.644 1.00 0.42 H new ATOM 0 HD3 LYS A 61 11.722 -10.425 0.504 1.00 0.42 H new ATOM 0 HE2 LYS A 61 13.868 -8.975 0.312 1.00 10.41 H new ATOM 0 HE3 LYS A 61 14.259 -9.949 -1.092 1.00 10.41 H new ATOM 0 HZ1 LYS A 61 13.092 -8.294 -2.083 1.00 41.35 H new ATOM 0 HZ2 LYS A 61 11.788 -9.324 -1.732 1.00 41.35 H new ATOM 0 HZ3 LYS A 61 12.112 -7.992 -0.730 1.00 41.35 H new ATOM 1065 N LYS A 62 15.982 -15.031 0.340 1.00 72.11 N ATOM 1066 CA LYS A 62 16.204 -16.324 -0.296 1.00 24.32 C ATOM 1067 C LYS A 62 16.400 -17.418 0.749 1.00 0.14 C ATOM 1068 O LYS A 62 15.876 -18.524 0.612 1.00 41.42 O ATOM 1069 CB LYS A 62 17.425 -16.260 -1.216 1.00 42.34 C ATOM 1070 CG LYS A 62 17.225 -15.369 -2.430 1.00 42.22 C ATOM 1071 CD LYS A 62 18.370 -14.382 -2.593 1.00 34.44 C ATOM 1072 CE LYS A 62 18.143 -13.456 -3.777 1.00 52.41 C ATOM 1073 NZ LYS A 62 19.393 -12.753 -4.179 1.00 13.33 N ATOM 0 H LYS A 62 16.628 -14.299 0.044 1.00 72.11 H new ATOM 0 HA LYS A 62 15.322 -16.565 -0.889 1.00 24.32 H new ATOM 0 HB2 LYS A 62 18.280 -15.897 -0.646 1.00 42.34 H new ATOM 0 HB3 LYS A 62 17.670 -17.268 -1.552 1.00 42.34 H new ATOM 0 HG2 LYS A 62 17.145 -15.985 -3.325 1.00 42.22 H new ATOM 0 HG3 LYS A 62 16.286 -14.825 -2.332 1.00 42.22 H new ATOM 0 HD2 LYS A 62 18.475 -13.792 -1.683 1.00 34.44 H new ATOM 0 HD3 LYS A 62 19.304 -14.926 -2.729 1.00 34.44 H new ATOM 0 HE2 LYS A 62 17.763 -14.032 -4.621 1.00 52.41 H new ATOM 0 HE3 LYS A 62 17.379 -12.721 -3.522 1.00 52.41 H new ATOM 0 HZ1 LYS A 62 19.196 -12.131 -4.989 1.00 13.33 H new ATOM 0 HZ2 LYS A 62 19.742 -12.183 -3.382 1.00 13.33 H new ATOM 0 HZ3 LYS A 62 20.114 -13.453 -4.447 1.00 13.33 H new ATOM 1087 N LYS A 63 17.156 -17.102 1.795 1.00 2.02 N ATOM 1088 CA LYS A 63 17.419 -18.056 2.866 1.00 61.10 C ATOM 1089 C LYS A 63 16.132 -18.416 3.602 1.00 65.10 C ATOM 1090 O LYS A 63 15.975 -19.537 4.084 1.00 23.32 O ATOM 1091 CB LYS A 63 18.439 -17.480 3.851 1.00 33.12 C ATOM 1092 CG LYS A 63 19.228 -18.541 4.599 1.00 14.45 C ATOM 1093 CD LYS A 63 19.938 -17.957 5.810 1.00 74.24 C ATOM 1094 CE LYS A 63 21.248 -17.292 5.420 1.00 44.44 C ATOM 1095 NZ LYS A 63 22.274 -18.288 5.004 1.00 3.10 N ATOM 0 H LYS A 63 17.598 -16.192 1.924 1.00 2.02 H new ATOM 0 HA LYS A 63 17.827 -18.963 2.419 1.00 61.10 H new ATOM 0 HB2 LYS A 63 19.133 -16.838 3.309 1.00 33.12 H new ATOM 0 HB3 LYS A 63 17.919 -16.850 4.572 1.00 33.12 H new ATOM 0 HG2 LYS A 63 18.556 -19.338 4.919 1.00 14.45 H new ATOM 0 HG3 LYS A 63 19.960 -18.991 3.929 1.00 14.45 H new ATOM 0 HD2 LYS A 63 19.290 -17.229 6.297 1.00 74.24 H new ATOM 0 HD3 LYS A 63 20.132 -18.747 6.536 1.00 74.24 H new ATOM 0 HE2 LYS A 63 21.071 -16.591 4.604 1.00 44.44 H new ATOM 0 HE3 LYS A 63 21.626 -16.712 6.262 1.00 44.44 H new ATOM 0 HZ1 LYS A 63 23.220 -17.861 5.073 1.00 3.10 H new ATOM 0 HZ2 LYS A 63 22.223 -19.120 5.626 1.00 3.10 H new ATOM 0 HZ3 LYS A 63 22.097 -18.580 4.022 1.00 3.10 H new ATOM 1109 N ALA A 64 15.215 -17.458 3.683 1.00 33.41 N ATOM 1110 CA ALA A 64 13.941 -17.676 4.357 1.00 73.30 C ATOM 1111 C ALA A 64 12.953 -18.395 3.444 1.00 31.35 C ATOM 1112 O ALA A 64 11.788 -18.582 3.798 1.00 31.43 O ATOM 1113 CB ALA A 64 13.359 -16.351 4.828 1.00 62.43 C ATOM 0 H ALA A 64 15.330 -16.524 3.290 1.00 33.41 H new ATOM 0 HA ALA A 64 14.121 -18.310 5.225 1.00 73.30 H new ATOM 0 HB1 ALA A 64 12.408 -16.529 5.329 1.00 62.43 H new ATOM 0 HB2 ALA A 64 14.052 -15.876 5.522 1.00 62.43 H new ATOM 0 HB3 ALA A 64 13.200 -15.698 3.970 1.00 62.43 H new ATOM 1119 N LEU A 65 13.424 -18.796 2.269 1.00 44.21 N ATOM 1120 CA LEU A 65 12.582 -19.494 1.304 1.00 32.34 C ATOM 1121 C LEU A 65 11.533 -18.556 0.718 1.00 54.55 C ATOM 1122 O LEU A 65 10.419 -18.974 0.399 1.00 15.41 O ATOM 1123 CB LEU A 65 11.898 -20.691 1.968 1.00 60.25 C ATOM 1124 CG LEU A 65 12.768 -21.524 2.910 1.00 71.14 C ATOM 1125 CD1 LEU A 65 11.902 -22.408 3.794 1.00 2.43 C ATOM 1126 CD2 LEU A 65 13.758 -22.366 2.117 1.00 15.13 C ATOM 0 H LEU A 65 14.385 -18.650 1.961 1.00 44.21 H new ATOM 0 HA LEU A 65 13.218 -19.849 0.493 1.00 32.34 H new ATOM 0 HB2 LEU A 65 11.037 -20.327 2.528 1.00 60.25 H new ATOM 0 HB3 LEU A 65 11.516 -21.346 1.185 1.00 60.25 H new ATOM 0 HG LEU A 65 13.331 -20.845 3.550 1.00 71.14 H new ATOM 0 HD11 LEU A 65 12.538 -22.994 4.458 1.00 2.43 H new ATOM 0 HD12 LEU A 65 11.234 -21.785 4.388 1.00 2.43 H new ATOM 0 HD13 LEU A 65 11.312 -23.080 3.170 1.00 2.43 H new ATOM 0 HD21 LEU A 65 14.369 -22.952 2.804 1.00 15.13 H new ATOM 0 HD22 LEU A 65 13.214 -23.037 1.452 1.00 15.13 H new ATOM 0 HD23 LEU A 65 14.401 -21.713 1.527 1.00 15.13 H new ATOM 1138 N LEU A 66 11.896 -17.286 0.575 1.00 50.20 N ATOM 1139 CA LEU A 66 10.987 -16.287 0.024 1.00 72.03 C ATOM 1140 C LEU A 66 11.123 -16.205 -1.493 1.00 73.34 C ATOM 1141 O LEU A 66 10.166 -15.879 -2.196 1.00 70.02 O ATOM 1142 CB LEU A 66 11.264 -14.918 0.646 1.00 12.44 C ATOM 1143 CG LEU A 66 10.325 -14.492 1.776 1.00 50.53 C ATOM 1144 CD1 LEU A 66 11.037 -13.552 2.736 1.00 4.12 C ATOM 1145 CD2 LEU A 66 9.075 -13.832 1.210 1.00 24.33 C ATOM 0 H LEU A 66 12.814 -16.924 0.833 1.00 50.20 H new ATOM 0 HA LEU A 66 9.967 -16.589 0.264 1.00 72.03 H new ATOM 0 HB2 LEU A 66 12.285 -14.915 1.028 1.00 12.44 H new ATOM 0 HB3 LEU A 66 11.216 -14.167 -0.142 1.00 12.44 H new ATOM 0 HG LEU A 66 10.024 -15.383 2.328 1.00 50.53 H new ATOM 0 HD11 LEU A 66 10.353 -13.260 3.533 1.00 4.12 H new ATOM 0 HD12 LEU A 66 11.901 -14.058 3.167 1.00 4.12 H new ATOM 0 HD13 LEU A 66 11.367 -12.664 2.198 1.00 4.12 H new ATOM 0 HD21 LEU A 66 8.418 -13.535 2.028 1.00 24.33 H new ATOM 0 HD22 LEU A 66 9.358 -12.951 0.634 1.00 24.33 H new ATOM 0 HD23 LEU A 66 8.553 -14.537 0.563 1.00 24.33 H new ATOM 1157 N PHE A 67 12.317 -16.506 -1.992 1.00 42.13 N ATOM 1158 CA PHE A 67 12.578 -16.468 -3.426 1.00 43.25 C ATOM 1159 C PHE A 67 12.791 -17.874 -3.978 1.00 65.50 C ATOM 1160 O PHE A 67 13.409 -18.719 -3.330 1.00 14.43 O ATOM 1161 CB PHE A 67 13.805 -15.601 -3.720 1.00 73.32 C ATOM 1162 CG PHE A 67 13.570 -14.135 -3.496 1.00 3.24 C ATOM 1163 CD1 PHE A 67 12.291 -13.650 -3.278 1.00 53.32 C ATOM 1164 CD2 PHE A 67 14.629 -13.242 -3.501 1.00 43.44 C ATOM 1165 CE1 PHE A 67 12.072 -12.301 -3.072 1.00 43.31 C ATOM 1166 CE2 PHE A 67 14.417 -11.891 -3.295 1.00 61.34 C ATOM 1167 CZ PHE A 67 13.137 -11.421 -3.079 1.00 52.45 C ATOM 0 H PHE A 67 13.119 -16.779 -1.424 1.00 42.13 H new ATOM 0 HA PHE A 67 11.708 -16.032 -3.917 1.00 43.25 H new ATOM 0 HB2 PHE A 67 14.631 -15.929 -3.089 1.00 73.32 H new ATOM 0 HB3 PHE A 67 14.112 -15.758 -4.754 1.00 73.32 H new ATOM 0 HD1 PHE A 67 11.455 -14.334 -3.269 1.00 53.32 H new ATOM 0 HD2 PHE A 67 15.632 -13.605 -3.668 1.00 43.44 H new ATOM 0 HE1 PHE A 67 11.070 -11.935 -2.906 1.00 43.31 H new ATOM 0 HE2 PHE A 67 15.251 -11.205 -3.303 1.00 61.34 H new ATOM 0 HZ PHE A 67 12.968 -10.367 -2.916 1.00 52.45 H new TER 1177 PHE A 67