USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 389 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 GLN :FLIP amide:sc= 0.0459 X(o=-1.1,f=-1) USER MOD Set 1.2: A 9 ASN :FLIP amide:sc= -1.06 F(o=-3.8!,f=-1) USER MOD Single : A 1 TYR N :NH3+ -128:sc= 0.109 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc= -1.82! C(o=-2.5!,f=-1.8!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0174 USER MOD Single : A 23 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-2.3) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= -0.0512 (180deg=-0.904) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 40 THR OG1 : rot -70:sc= 0.586 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -1.71! C(o=-1.7!,f=-2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 34.010 4.463 -2.429 1.00 10.26 N ATOM 2 CA TYR A 1 32.631 4.602 -2.982 1.00 9.07 C ATOM 3 C TYR A 1 31.614 4.521 -1.841 1.00 8.78 C ATOM 4 O TYR A 1 31.966 4.254 -0.708 1.00 9.55 O ATOM 5 CB TYR A 1 32.342 3.494 -3.994 1.00 8.52 C ATOM 6 CG TYR A 1 31.417 4.035 -5.087 1.00 7.39 C ATOM 7 CD1 TYR A 1 31.864 4.997 -5.970 1.00 7.92 C ATOM 8 CD2 TYR A 1 30.122 3.569 -5.206 1.00 6.00 C ATOM 9 CE1 TYR A 1 31.031 5.485 -6.955 1.00 7.16 C ATOM 10 CE2 TYR A 1 29.290 4.058 -6.191 1.00 5.25 C ATOM 11 CZ TYR A 1 29.737 5.020 -7.073 1.00 5.88 C ATOM 12 OH TYR A 1 28.904 5.508 -8.059 1.00 5.53 O ATOM 0 H1 TYR A 1 34.600 5.251 -2.766 1.00 10.26 H new ATOM 0 H2 TYR A 1 33.971 4.479 -1.390 1.00 10.26 H new ATOM 0 H3 TYR A 1 34.422 3.562 -2.746 1.00 10.26 H new ATOM 0 HA TYR A 1 32.553 5.566 -3.484 1.00 9.07 H new ATOM 0 HB2 TYR A 1 33.273 3.136 -4.434 1.00 8.52 H new ATOM 0 HB3 TYR A 1 31.877 2.643 -3.496 1.00 8.52 H new ATOM 0 HD1 TYR A 1 32.874 5.371 -5.889 1.00 7.92 H new ATOM 0 HD2 TYR A 1 29.758 2.816 -4.522 1.00 6.00 H new ATOM 0 HE1 TYR A 1 31.394 6.237 -7.640 1.00 7.16 H new ATOM 0 HE2 TYR A 1 28.280 3.685 -6.273 1.00 5.25 H new ATOM 0 HH TYR A 1 28.030 5.069 -7.996 1.00 5.53 H new ATOM 24 N ALA A 2 30.370 4.753 -2.163 1.00 7.79 N ATOM 25 CA ALA A 2 29.317 4.692 -1.107 1.00 7.57 C ATOM 26 C ALA A 2 28.694 3.293 -1.060 1.00 7.24 C ATOM 27 O ALA A 2 28.522 2.652 -2.078 1.00 6.68 O ATOM 28 CB ALA A 2 28.233 5.721 -1.424 1.00 6.76 C ATOM 0 H ALA A 2 30.039 4.980 -3.101 1.00 7.79 H new ATOM 0 HA ALA A 2 29.767 4.910 -0.138 1.00 7.57 H new ATOM 0 HB1 ALA A 2 27.460 5.683 -0.657 1.00 6.76 H new ATOM 0 HB2 ALA A 2 28.673 6.718 -1.446 1.00 6.76 H new ATOM 0 HB3 ALA A 2 27.792 5.497 -2.395 1.00 6.76 H new ATOM 34 N SER A 3 28.371 2.848 0.123 1.00 7.90 N ATOM 35 CA SER A 3 27.759 1.493 0.256 1.00 8.04 C ATOM 36 C SER A 3 26.322 1.508 -0.277 1.00 7.25 C ATOM 37 O SER A 3 25.677 2.536 -0.300 1.00 6.62 O ATOM 38 CB SER A 3 27.753 1.091 1.730 1.00 8.92 C ATOM 39 OG SER A 3 28.823 0.165 1.842 1.00 9.89 O ATOM 0 H SER A 3 28.502 3.357 0.997 1.00 7.90 H new ATOM 0 HA SER A 3 28.341 0.776 -0.322 1.00 8.04 H new ATOM 0 HB2 SER A 3 27.903 1.954 2.379 1.00 8.92 H new ATOM 0 HB3 SER A 3 26.803 0.639 2.016 1.00 8.92 H new ATOM 0 HG SER A 3 28.891 -0.146 2.769 1.00 9.89 H new ATOM 45 N LEU A 4 25.855 0.363 -0.694 1.00 7.45 N ATOM 46 CA LEU A 4 24.463 0.291 -1.229 1.00 6.91 C ATOM 47 C LEU A 4 23.492 -0.131 -0.121 1.00 7.48 C ATOM 48 O LEU A 4 22.383 -0.549 -0.390 1.00 7.43 O ATOM 49 CB LEU A 4 24.416 -0.730 -2.364 1.00 7.24 C ATOM 50 CG LEU A 4 25.585 -0.474 -3.318 1.00 7.36 C ATOM 51 CD1 LEU A 4 26.657 -1.543 -3.097 1.00 8.73 C ATOM 52 CD2 LEU A 4 25.084 -0.554 -4.761 1.00 7.07 C ATOM 0 H LEU A 4 26.369 -0.518 -0.689 1.00 7.45 H new ATOM 0 HA LEU A 4 24.169 1.273 -1.600 1.00 6.91 H new ATOM 0 HB2 LEU A 4 24.473 -1.742 -1.962 1.00 7.24 H new ATOM 0 HB3 LEU A 4 23.470 -0.653 -2.900 1.00 7.24 H new ATOM 0 HG LEU A 4 26.005 0.514 -3.129 1.00 7.36 H new ATOM 0 HD11 LEU A 4 27.493 -1.366 -3.774 1.00 8.73 H new ATOM 0 HD12 LEU A 4 27.009 -1.498 -2.066 1.00 8.73 H new ATOM 0 HD13 LEU A 4 26.234 -2.528 -3.293 1.00 8.73 H new ATOM 0 HD21 LEU A 4 25.913 -0.372 -5.445 1.00 7.07 H new ATOM 0 HD22 LEU A 4 24.670 -1.545 -4.948 1.00 7.07 H new ATOM 0 HD23 LEU A 4 24.311 0.198 -4.920 1.00 7.07 H new ATOM 64 N GLU A 5 23.930 -0.009 1.102 1.00 8.15 N ATOM 65 CA GLU A 5 23.045 -0.399 2.239 1.00 8.82 C ATOM 66 C GLU A 5 23.296 0.517 3.441 1.00 9.14 C ATOM 67 O GLU A 5 23.396 0.060 4.563 1.00 10.12 O ATOM 68 CB GLU A 5 23.342 -1.845 2.630 1.00 10.10 C ATOM 69 CG GLU A 5 24.836 -1.988 2.930 1.00 11.26 C ATOM 70 CD GLU A 5 25.445 -3.024 1.982 1.00 11.92 C ATOM 71 OE1 GLU A 5 25.065 -4.174 2.121 1.00 12.61 O ATOM 72 OE2 GLU A 5 26.257 -2.605 1.173 1.00 11.81 O ATOM 0 H GLU A 5 24.852 0.340 1.363 1.00 8.15 H new ATOM 0 HA GLU A 5 22.003 -0.303 1.933 1.00 8.82 H new ATOM 0 HB2 GLU A 5 22.755 -2.126 3.504 1.00 10.10 H new ATOM 0 HB3 GLU A 5 23.055 -2.519 1.823 1.00 10.10 H new ATOM 0 HG2 GLU A 5 25.337 -1.028 2.808 1.00 11.26 H new ATOM 0 HG3 GLU A 5 24.983 -2.295 3.966 1.00 11.26 H new ATOM 79 N GLU A 6 23.392 1.792 3.180 1.00 8.47 N ATOM 80 CA GLU A 6 23.637 2.752 4.297 1.00 9.03 C ATOM 81 C GLU A 6 22.412 2.820 5.216 1.00 9.23 C ATOM 82 O GLU A 6 22.540 2.881 6.422 1.00 10.08 O ATOM 83 CB GLU A 6 23.913 4.136 3.714 1.00 8.21 C ATOM 84 CG GLU A 6 25.275 4.124 3.016 1.00 8.81 C ATOM 85 CD GLU A 6 26.348 4.606 3.993 1.00 10.00 C ATOM 86 OE1 GLU A 6 26.702 3.809 4.846 1.00 10.78 O ATOM 87 OE2 GLU A 6 26.755 5.745 3.831 1.00 10.16 O ATOM 0 H GLU A 6 23.313 2.209 2.252 1.00 8.47 H new ATOM 0 HA GLU A 6 24.495 2.415 4.879 1.00 9.03 H new ATOM 0 HB2 GLU A 6 23.130 4.409 3.006 1.00 8.21 H new ATOM 0 HB3 GLU A 6 23.903 4.886 4.505 1.00 8.21 H new ATOM 0 HG2 GLU A 6 25.509 3.118 2.668 1.00 8.81 H new ATOM 0 HG3 GLU A 6 25.252 4.768 2.137 1.00 8.81 H new ATOM 94 N GLN A 7 21.250 2.807 4.623 1.00 8.46 N ATOM 95 CA GLN A 7 20.007 2.870 5.448 1.00 8.62 C ATOM 96 C GLN A 7 18.778 2.587 4.578 1.00 7.61 C ATOM 97 O GLN A 7 18.854 2.612 3.365 1.00 7.01 O ATOM 98 CB GLN A 7 19.886 4.262 6.063 1.00 8.89 C ATOM 99 CG GLN A 7 19.305 4.139 7.472 1.00 9.67 C ATOM 100 CD GLN A 7 19.025 5.536 8.028 1.00 9.89 C ATOM 101 OE1 GLN A 7 20.020 6.248 8.481 1.00 9.46 O flip ATOM 102 NE2 GLN A 7 17.899 5.991 8.055 1.00 10.76 N flip ATOM 0 H GLN A 7 21.106 2.756 3.615 1.00 8.46 H new ATOM 0 HA GLN A 7 20.061 2.118 6.235 1.00 8.62 H new ATOM 0 HB2 GLN A 7 20.864 4.743 6.100 1.00 8.89 H new ATOM 0 HB3 GLN A 7 19.245 4.891 5.446 1.00 8.89 H new ATOM 0 HG2 GLN A 7 18.386 3.554 7.449 1.00 9.67 H new ATOM 0 HG3 GLN A 7 20.003 3.610 8.121 1.00 9.67 H new ATOM 0 HE21 GLN A 7 17.117 5.439 7.702 1.00 10.76 H new ATOM 0 HE22 GLN A 7 17.735 6.925 8.430 1.00 10.76 H new ATOM 111 N ASN A 8 17.672 2.326 5.217 1.00 7.59 N ATOM 112 CA ASN A 8 16.429 2.040 4.443 1.00 6.69 C ATOM 113 C ASN A 8 15.248 1.835 5.397 1.00 6.98 C ATOM 114 O ASN A 8 15.161 0.827 6.073 1.00 8.01 O ATOM 115 CB ASN A 8 16.637 0.777 3.609 1.00 7.19 C ATOM 116 CG ASN A 8 17.722 -0.085 4.259 1.00 8.68 C ATOM 117 OD1 ASN A 8 17.756 -0.186 5.560 1.00 9.30 O flip ATOM 118 ND2 ASN A 8 18.547 -0.672 3.588 1.00 9.44 N flip ATOM 0 H ASN A 8 17.573 2.298 6.232 1.00 7.59 H new ATOM 0 HA ASN A 8 16.211 2.884 3.789 1.00 6.69 H new ATOM 0 HB2 ASN A 8 15.705 0.216 3.538 1.00 7.19 H new ATOM 0 HB3 ASN A 8 16.927 1.042 2.592 1.00 7.19 H new ATOM 0 HD21 ASN A 8 18.525 -0.596 2.571 1.00 9.44 H new ATOM 0 HD22 ASN A 8 19.262 -1.241 4.041 1.00 9.44 H new ATOM 125 N ASN A 9 14.365 2.794 5.432 1.00 6.16 N ATOM 126 CA ASN A 9 13.185 2.670 6.337 1.00 6.50 C ATOM 127 C ASN A 9 12.003 2.046 5.584 1.00 5.92 C ATOM 128 O ASN A 9 12.153 1.566 4.478 1.00 5.35 O ATOM 129 CB ASN A 9 12.794 4.059 6.840 1.00 6.26 C ATOM 130 CG ASN A 9 14.010 4.721 7.491 1.00 7.19 C ATOM 131 OD1 ASN A 9 15.103 4.864 6.793 1.00 8.20 O flip ATOM 132 ND2 ASN A 9 13.975 5.115 8.640 1.00 7.19 N flip ATOM 0 H ASN A 9 14.407 3.651 4.880 1.00 6.16 H new ATOM 0 HA ASN A 9 13.443 2.028 7.179 1.00 6.50 H new ATOM 0 HB2 ASN A 9 12.432 4.670 6.013 1.00 6.26 H new ATOM 0 HB3 ASN A 9 11.979 3.982 7.559 1.00 6.26 H new ATOM 0 HD21 ASN A 9 13.123 5.006 9.191 1.00 7.19 H new ATOM 0 HD22 ASN A 9 14.797 5.555 9.054 1.00 7.19 H new ATOM 139 N ASP A 10 10.853 2.067 6.201 1.00 6.29 N ATOM 140 CA ASP A 10 9.653 1.477 5.536 1.00 5.88 C ATOM 141 C ASP A 10 8.965 2.525 4.655 1.00 4.54 C ATOM 142 O ASP A 10 9.165 3.710 4.824 1.00 4.09 O ATOM 143 CB ASP A 10 8.678 0.994 6.606 1.00 7.02 C ATOM 144 CG ASP A 10 9.464 0.483 7.815 1.00 8.41 C ATOM 145 OD1 ASP A 10 10.059 1.324 8.469 1.00 8.64 O ATOM 146 OD2 ASP A 10 9.426 -0.719 8.016 1.00 9.34 O ATOM 0 H ASP A 10 10.691 2.462 7.127 1.00 6.29 H new ATOM 0 HA ASP A 10 9.965 0.641 4.910 1.00 5.88 H new ATOM 0 HB2 ASP A 10 8.017 1.807 6.905 1.00 7.02 H new ATOM 0 HB3 ASP A 10 8.046 0.200 6.207 1.00 7.02 H new ATOM 151 N ALA A 11 8.164 2.060 3.734 1.00 4.15 N ATOM 152 CA ALA A 11 7.451 3.013 2.833 1.00 2.85 C ATOM 153 C ALA A 11 6.427 2.262 1.977 1.00 2.34 C ATOM 154 O ALA A 11 6.247 1.069 2.125 1.00 2.43 O ATOM 155 CB ALA A 11 8.469 3.702 1.925 1.00 2.74 C ATOM 0 H ALA A 11 7.973 1.072 3.567 1.00 4.15 H new ATOM 0 HA ALA A 11 6.930 3.757 3.436 1.00 2.85 H new ATOM 0 HB1 ALA A 11 7.954 4.399 1.264 1.00 2.74 H new ATOM 0 HB2 ALA A 11 9.191 4.245 2.534 1.00 2.74 H new ATOM 0 HB3 ALA A 11 8.989 2.953 1.328 1.00 2.74 H new ATOM 161 N LEU A 12 5.779 2.977 1.097 1.00 1.94 N ATOM 162 CA LEU A 12 4.764 2.321 0.222 1.00 1.42 C ATOM 163 C LEU A 12 5.313 0.999 -0.325 1.00 1.64 C ATOM 164 O LEU A 12 6.509 0.831 -0.456 1.00 1.82 O ATOM 165 CB LEU A 12 4.433 3.251 -0.943 1.00 1.27 C ATOM 166 CG LEU A 12 3.758 4.512 -0.403 1.00 1.23 C ATOM 167 CD1 LEU A 12 4.177 5.711 -1.254 1.00 2.04 C ATOM 168 CD2 LEU A 12 2.239 4.343 -0.483 1.00 0.58 C ATOM 0 H LEU A 12 5.906 3.978 0.946 1.00 1.94 H new ATOM 0 HA LEU A 12 3.866 2.118 0.805 1.00 1.42 H new ATOM 0 HB2 LEU A 12 5.342 3.514 -1.484 1.00 1.27 H new ATOM 0 HB3 LEU A 12 3.775 2.747 -1.651 1.00 1.27 H new ATOM 0 HG LEU A 12 4.056 4.675 0.633 1.00 1.23 H new ATOM 0 HD11 LEU A 12 3.698 6.613 -0.873 1.00 2.04 H new ATOM 0 HD12 LEU A 12 5.260 5.828 -1.209 1.00 2.04 H new ATOM 0 HD13 LEU A 12 3.872 5.548 -2.288 1.00 2.04 H new ATOM 0 HD21 LEU A 12 1.752 5.240 -0.099 1.00 0.58 H new ATOM 0 HD22 LEU A 12 1.944 4.186 -1.521 1.00 0.58 H new ATOM 0 HD23 LEU A 12 1.937 3.482 0.114 1.00 0.58 H new ATOM 180 N SER A 13 4.427 0.089 -0.633 1.00 1.67 N ATOM 181 CA SER A 13 4.887 -1.224 -1.170 1.00 1.94 C ATOM 182 C SER A 13 4.851 -1.197 -2.723 1.00 1.74 C ATOM 183 O SER A 13 4.074 -0.466 -3.302 1.00 1.34 O ATOM 184 CB SER A 13 3.956 -2.322 -0.658 1.00 1.99 C ATOM 185 OG SER A 13 3.065 -2.554 -1.738 1.00 1.89 O ATOM 0 H SER A 13 3.417 0.196 -0.538 1.00 1.67 H new ATOM 0 HA SER A 13 5.907 -1.418 -0.840 1.00 1.94 H new ATOM 0 HB2 SER A 13 4.510 -3.224 -0.397 1.00 1.99 H new ATOM 0 HB3 SER A 13 3.422 -2.006 0.238 1.00 1.99 H new ATOM 0 HG SER A 13 2.427 -3.255 -1.491 1.00 1.89 H new ATOM 191 N PRO A 14 5.695 -1.997 -3.372 1.00 2.16 N ATOM 192 CA PRO A 14 5.721 -2.045 -4.844 1.00 2.07 C ATOM 193 C PRO A 14 4.388 -2.565 -5.402 1.00 1.47 C ATOM 194 O PRO A 14 3.841 -2.010 -6.334 1.00 1.16 O ATOM 195 CB PRO A 14 6.846 -3.023 -5.196 1.00 2.64 C ATOM 196 CG PRO A 14 7.358 -3.642 -3.862 1.00 3.13 C ATOM 197 CD PRO A 14 6.673 -2.885 -2.712 1.00 2.81 C ATOM 0 HA PRO A 14 5.880 -1.054 -5.270 1.00 2.07 H new ATOM 0 HB2 PRO A 14 6.482 -3.802 -5.866 1.00 2.64 H new ATOM 0 HB3 PRO A 14 7.654 -2.508 -5.715 1.00 2.64 H new ATOM 0 HG2 PRO A 14 7.122 -4.705 -3.816 1.00 3.13 H new ATOM 0 HG3 PRO A 14 8.442 -3.553 -3.788 1.00 3.13 H new ATOM 0 HD2 PRO A 14 6.181 -3.573 -2.024 1.00 2.81 H new ATOM 0 HD3 PRO A 14 7.395 -2.313 -2.129 1.00 2.81 H new ATOM 205 N ALA A 15 3.900 -3.624 -4.817 1.00 1.46 N ATOM 206 CA ALA A 15 2.616 -4.214 -5.304 1.00 1.00 C ATOM 207 C ALA A 15 1.461 -3.215 -5.166 1.00 0.44 C ATOM 208 O ALA A 15 0.403 -3.412 -5.733 1.00 0.33 O ATOM 209 CB ALA A 15 2.303 -5.464 -4.486 1.00 1.43 C ATOM 0 H ALA A 15 4.330 -4.106 -4.027 1.00 1.46 H new ATOM 0 HA ALA A 15 2.726 -4.466 -6.359 1.00 1.00 H new ATOM 0 HB1 ALA A 15 1.367 -5.902 -4.834 1.00 1.43 H new ATOM 0 HB2 ALA A 15 3.109 -6.188 -4.605 1.00 1.43 H new ATOM 0 HB3 ALA A 15 2.209 -5.196 -3.434 1.00 1.43 H new ATOM 215 N ILE A 16 1.680 -2.166 -4.421 1.00 0.63 N ATOM 216 CA ILE A 16 0.589 -1.157 -4.245 1.00 0.42 C ATOM 217 C ILE A 16 -0.062 -0.839 -5.596 1.00 0.63 C ATOM 218 O ILE A 16 -1.163 -0.328 -5.652 1.00 0.99 O ATOM 219 CB ILE A 16 1.177 0.122 -3.647 1.00 0.69 C ATOM 220 CG1 ILE A 16 0.031 1.031 -3.187 1.00 0.86 C ATOM 221 CG2 ILE A 16 2.008 0.846 -4.709 1.00 1.21 C ATOM 222 CD1 ILE A 16 0.614 2.311 -2.587 1.00 1.15 C ATOM 0 H ILE A 16 2.552 -1.963 -3.932 1.00 0.63 H new ATOM 0 HA ILE A 16 -0.169 -1.564 -3.576 1.00 0.42 H new ATOM 0 HB ILE A 16 1.814 -0.126 -2.798 1.00 0.69 H new ATOM 0 HG12 ILE A 16 -0.618 1.273 -4.029 1.00 0.86 H new ATOM 0 HG13 ILE A 16 -0.583 0.516 -2.449 1.00 0.86 H new ATOM 0 HG21 ILE A 16 2.427 1.758 -4.284 1.00 1.21 H new ATOM 0 HG22 ILE A 16 2.817 0.196 -5.044 1.00 1.21 H new ATOM 0 HG23 ILE A 16 1.372 1.100 -5.557 1.00 1.21 H new ATOM 0 HD11 ILE A 16 -0.197 2.961 -2.258 1.00 1.15 H new ATOM 0 HD12 ILE A 16 1.245 2.059 -1.735 1.00 1.15 H new ATOM 0 HD13 ILE A 16 1.210 2.827 -3.340 1.00 1.15 H new ATOM 234 N ARG A 17 0.632 -1.152 -6.655 1.00 0.69 N ATOM 235 CA ARG A 17 0.067 -0.874 -8.009 1.00 0.93 C ATOM 236 C ARG A 17 -0.637 -2.121 -8.554 1.00 0.81 C ATOM 237 O ARG A 17 -1.672 -2.026 -9.183 1.00 1.08 O ATOM 238 CB ARG A 17 1.201 -0.482 -8.953 1.00 1.22 C ATOM 239 CG ARG A 17 1.791 0.856 -8.503 1.00 1.47 C ATOM 240 CD ARG A 17 3.315 0.791 -8.608 1.00 2.99 C ATOM 241 NE ARG A 17 3.686 0.331 -9.977 1.00 3.46 N ATOM 242 CZ ARG A 17 3.974 1.214 -10.894 1.00 3.55 C ATOM 243 NH1 ARG A 17 4.959 2.044 -10.684 1.00 4.29 N ATOM 244 NH2 ARG A 17 3.267 1.236 -11.992 1.00 3.38 N ATOM 0 H ARG A 17 1.556 -1.584 -6.645 1.00 0.69 H new ATOM 0 HA ARG A 17 -0.656 -0.062 -7.935 1.00 0.93 H new ATOM 0 HB2 ARG A 17 1.973 -1.252 -8.953 1.00 1.22 H new ATOM 0 HB3 ARG A 17 0.829 -0.404 -9.975 1.00 1.22 H new ATOM 0 HG2 ARG A 17 1.405 1.665 -9.124 1.00 1.47 H new ATOM 0 HG3 ARG A 17 1.494 1.072 -7.477 1.00 1.47 H new ATOM 0 HD2 ARG A 17 3.749 1.771 -8.409 1.00 2.99 H new ATOM 0 HD3 ARG A 17 3.716 0.108 -7.859 1.00 2.99 H new ATOM 0 HE ARG A 17 3.714 -0.665 -10.195 1.00 3.46 H new ATOM 0 HH11 ARG A 17 5.490 1.996 -9.814 1.00 4.29 H new ATOM 0 HH12 ARG A 17 5.198 2.741 -11.390 1.00 4.29 H new ATOM 0 HH21 ARG A 17 2.505 0.570 -12.121 1.00 3.38 H new ATOM 0 HH22 ARG A 17 3.477 1.919 -12.720 1.00 3.38 H new ATOM 258 N ARG A 18 -0.060 -3.264 -8.298 1.00 0.53 N ATOM 259 CA ARG A 18 -0.679 -4.528 -8.798 1.00 0.39 C ATOM 260 C ARG A 18 -1.514 -5.186 -7.695 1.00 0.31 C ATOM 261 O ARG A 18 -2.005 -6.285 -7.859 1.00 0.33 O ATOM 262 CB ARG A 18 0.428 -5.483 -9.236 1.00 0.28 C ATOM 263 CG ARG A 18 1.225 -4.843 -10.375 1.00 0.42 C ATOM 264 CD ARG A 18 2.024 -5.927 -11.100 1.00 0.87 C ATOM 265 NE ARG A 18 2.826 -5.295 -12.183 1.00 1.43 N ATOM 266 CZ ARG A 18 3.880 -5.912 -12.644 1.00 1.97 C ATOM 267 NH1 ARG A 18 3.759 -7.144 -13.057 1.00 2.20 N ATOM 268 NH2 ARG A 18 5.019 -5.276 -12.676 1.00 3.00 N ATOM 0 H ARG A 18 0.805 -3.379 -7.770 1.00 0.53 H new ATOM 0 HA ARG A 18 -1.332 -4.299 -9.640 1.00 0.39 H new ATOM 0 HB2 ARG A 18 1.086 -5.705 -8.396 1.00 0.28 H new ATOM 0 HB3 ARG A 18 -0.001 -6.430 -9.564 1.00 0.28 H new ATOM 0 HG2 ARG A 18 0.551 -4.344 -11.071 1.00 0.42 H new ATOM 0 HG3 ARG A 18 1.897 -4.081 -9.981 1.00 0.42 H new ATOM 0 HD2 ARG A 18 2.679 -6.444 -10.399 1.00 0.87 H new ATOM 0 HD3 ARG A 18 1.350 -6.675 -11.518 1.00 0.87 H new ATOM 0 HE ARG A 18 2.554 -4.388 -12.562 1.00 1.43 H new ATOM 0 HH11 ARG A 18 2.852 -7.609 -13.016 1.00 2.20 H new ATOM 0 HH12 ARG A 18 4.571 -7.642 -13.420 1.00 2.20 H new ATOM 0 HH21 ARG A 18 5.075 -4.313 -12.344 1.00 3.00 H new ATOM 0 HH22 ARG A 18 5.853 -5.742 -13.033 1.00 3.00 H new ATOM 282 N LEU A 19 -1.656 -4.500 -6.594 1.00 0.26 N ATOM 283 CA LEU A 19 -2.456 -5.076 -5.474 1.00 0.21 C ATOM 284 C LEU A 19 -3.944 -5.089 -5.839 1.00 0.29 C ATOM 285 O LEU A 19 -4.709 -5.876 -5.316 1.00 0.34 O ATOM 286 CB LEU A 19 -2.246 -4.228 -4.221 1.00 0.16 C ATOM 287 CG LEU A 19 -2.731 -5.010 -2.999 1.00 0.17 C ATOM 288 CD1 LEU A 19 -1.545 -5.740 -2.365 1.00 0.18 C ATOM 289 CD2 LEU A 19 -3.325 -4.034 -1.981 1.00 0.25 C ATOM 0 H LEU A 19 -1.258 -3.577 -6.421 1.00 0.26 H new ATOM 0 HA LEU A 19 -2.130 -6.099 -5.289 1.00 0.21 H new ATOM 0 HB2 LEU A 19 -1.192 -3.975 -4.111 1.00 0.16 H new ATOM 0 HB3 LEU A 19 -2.792 -3.289 -4.307 1.00 0.16 H new ATOM 0 HG LEU A 19 -3.489 -5.733 -3.301 1.00 0.17 H new ATOM 0 HD11 LEU A 19 -1.886 -6.299 -1.493 1.00 0.18 H new ATOM 0 HD12 LEU A 19 -1.111 -6.428 -3.091 1.00 0.18 H new ATOM 0 HD13 LEU A 19 -0.792 -5.014 -2.059 1.00 0.18 H new ATOM 0 HD21 LEU A 19 -3.672 -4.586 -1.108 1.00 0.25 H new ATOM 0 HD22 LEU A 19 -2.563 -3.316 -1.677 1.00 0.25 H new ATOM 0 HD23 LEU A 19 -4.164 -3.503 -2.432 1.00 0.25 H new ATOM 301 N LEU A 20 -4.322 -4.214 -6.730 1.00 0.51 N ATOM 302 CA LEU A 20 -5.756 -4.159 -7.142 1.00 0.63 C ATOM 303 C LEU A 20 -6.039 -5.207 -8.222 1.00 0.68 C ATOM 304 O LEU A 20 -7.087 -5.820 -8.236 1.00 0.67 O ATOM 305 CB LEU A 20 -6.063 -2.766 -7.690 1.00 0.71 C ATOM 306 CG LEU A 20 -6.367 -1.824 -6.524 1.00 0.59 C ATOM 307 CD1 LEU A 20 -5.916 -0.409 -6.890 1.00 0.48 C ATOM 308 CD2 LEU A 20 -7.874 -1.819 -6.260 1.00 1.01 C ATOM 0 H LEU A 20 -3.708 -3.540 -7.188 1.00 0.51 H new ATOM 0 HA LEU A 20 -6.386 -4.368 -6.278 1.00 0.63 H new ATOM 0 HB2 LEU A 20 -5.215 -2.392 -8.264 1.00 0.71 H new ATOM 0 HB3 LEU A 20 -6.914 -2.809 -8.370 1.00 0.71 H new ATOM 0 HG LEU A 20 -5.838 -2.160 -5.632 1.00 0.59 H new ATOM 0 HD11 LEU A 20 -6.130 0.267 -6.062 1.00 0.48 H new ATOM 0 HD12 LEU A 20 -4.845 -0.409 -7.090 1.00 0.48 H new ATOM 0 HD13 LEU A 20 -6.451 -0.075 -7.779 1.00 0.48 H new ATOM 0 HD21 LEU A 20 -8.096 -1.149 -5.429 1.00 1.01 H new ATOM 0 HD22 LEU A 20 -8.399 -1.477 -7.152 1.00 1.01 H new ATOM 0 HD23 LEU A 20 -8.203 -2.828 -6.010 1.00 1.01 H new ATOM 320 N ALA A 21 -5.096 -5.387 -9.107 1.00 0.74 N ATOM 321 CA ALA A 21 -5.294 -6.390 -10.194 1.00 0.80 C ATOM 322 C ALA A 21 -5.046 -7.806 -9.663 1.00 0.79 C ATOM 323 O ALA A 21 -5.169 -8.773 -10.388 1.00 1.11 O ATOM 324 CB ALA A 21 -4.316 -6.094 -11.330 1.00 0.82 C ATOM 0 H ALA A 21 -4.206 -4.889 -9.126 1.00 0.74 H new ATOM 0 HA ALA A 21 -6.320 -6.326 -10.558 1.00 0.80 H new ATOM 0 HB1 ALA A 21 -4.454 -6.823 -12.129 1.00 0.82 H new ATOM 0 HB2 ALA A 21 -4.501 -5.092 -11.717 1.00 0.82 H new ATOM 0 HB3 ALA A 21 -3.294 -6.156 -10.956 1.00 0.82 H new ATOM 330 N GLU A 22 -4.702 -7.895 -8.406 1.00 0.47 N ATOM 331 CA GLU A 22 -4.441 -9.240 -7.812 1.00 0.44 C ATOM 332 C GLU A 22 -5.692 -9.753 -7.091 1.00 0.47 C ATOM 333 O GLU A 22 -6.058 -10.904 -7.224 1.00 0.59 O ATOM 334 CB GLU A 22 -3.285 -9.130 -6.817 1.00 0.37 C ATOM 335 CG GLU A 22 -2.796 -10.535 -6.457 1.00 0.34 C ATOM 336 CD GLU A 22 -1.955 -11.089 -7.609 1.00 1.61 C ATOM 337 OE1 GLU A 22 -0.927 -10.485 -7.868 1.00 2.06 O ATOM 338 OE2 GLU A 22 -2.388 -12.086 -8.163 1.00 2.53 O ATOM 0 H GLU A 22 -4.591 -7.105 -7.770 1.00 0.47 H new ATOM 0 HA GLU A 22 -4.183 -9.940 -8.606 1.00 0.44 H new ATOM 0 HB2 GLU A 22 -2.471 -8.548 -7.250 1.00 0.37 H new ATOM 0 HB3 GLU A 22 -3.611 -8.604 -5.919 1.00 0.37 H new ATOM 0 HG2 GLU A 22 -2.204 -10.503 -5.542 1.00 0.34 H new ATOM 0 HG3 GLU A 22 -3.646 -11.190 -6.264 1.00 0.34 H new ATOM 345 N HIS A 23 -6.323 -8.881 -6.344 1.00 0.39 N ATOM 346 CA HIS A 23 -7.555 -9.294 -5.602 1.00 0.41 C ATOM 347 C HIS A 23 -8.802 -8.728 -6.288 1.00 0.47 C ATOM 348 O HIS A 23 -9.909 -9.148 -6.014 1.00 0.52 O ATOM 349 CB HIS A 23 -7.476 -8.763 -4.171 1.00 0.32 C ATOM 350 CG HIS A 23 -6.015 -8.742 -3.719 1.00 0.53 C ATOM 351 ND1 HIS A 23 -5.245 -9.731 -3.732 1.00 0.84 N ATOM 352 CD2 HIS A 23 -5.258 -7.697 -3.223 1.00 0.53 C ATOM 353 CE1 HIS A 23 -4.089 -9.422 -3.301 1.00 0.97 C ATOM 354 NE2 HIS A 23 -4.005 -8.141 -2.953 1.00 0.79 N ATOM 0 H HIS A 23 -6.042 -7.909 -6.216 1.00 0.39 H new ATOM 0 HA HIS A 23 -7.622 -10.382 -5.594 1.00 0.41 H new ATOM 0 HB2 HIS A 23 -7.899 -7.760 -4.119 1.00 0.32 H new ATOM 0 HB3 HIS A 23 -8.066 -9.392 -3.504 1.00 0.32 H new ATOM 0 HD1 HIS A 23 -5.511 -10.664 -4.048 1.00 0.84 H new ATOM 0 HD2 HIS A 23 -5.609 -6.687 -3.074 1.00 0.53 H new ATOM 0 HE1 HIS A 23 -3.269 -10.120 -3.226 1.00 0.97 H new ATOM 362 N ASN A 24 -8.596 -7.783 -7.164 1.00 0.56 N ATOM 363 CA ASN A 24 -9.761 -7.178 -7.876 1.00 0.68 C ATOM 364 C ASN A 24 -10.816 -6.720 -6.866 1.00 0.39 C ATOM 365 O ASN A 24 -11.936 -7.193 -6.875 1.00 0.45 O ATOM 366 CB ASN A 24 -10.371 -8.219 -8.812 1.00 0.95 C ATOM 367 CG ASN A 24 -9.554 -8.278 -10.105 1.00 1.60 C ATOM 368 OD1 ASN A 24 -9.770 -7.512 -11.023 1.00 2.53 O ATOM 369 ND2 ASN A 24 -8.609 -9.170 -10.217 1.00 1.70 N ATOM 0 H ASN A 24 -7.683 -7.406 -7.417 1.00 0.56 H new ATOM 0 HA ASN A 24 -9.423 -6.315 -8.450 1.00 0.68 H new ATOM 0 HB2 ASN A 24 -10.381 -9.197 -8.330 1.00 0.95 H new ATOM 0 HB3 ASN A 24 -11.407 -7.962 -9.034 1.00 0.95 H new ATOM 0 HD21 ASN A 24 -8.056 -9.222 -11.072 1.00 1.70 H new ATOM 0 HD22 ASN A 24 -8.423 -9.816 -9.449 1.00 1.70 H new ATOM 376 N LEU A 25 -10.436 -5.807 -6.015 1.00 0.37 N ATOM 377 CA LEU A 25 -11.403 -5.307 -4.996 1.00 0.42 C ATOM 378 C LEU A 25 -12.177 -4.103 -5.544 1.00 0.73 C ATOM 379 O LEU A 25 -11.801 -3.523 -6.543 1.00 1.02 O ATOM 380 CB LEU A 25 -10.636 -4.890 -3.742 1.00 0.40 C ATOM 381 CG LEU A 25 -10.501 -6.095 -2.810 1.00 0.68 C ATOM 382 CD1 LEU A 25 -9.275 -5.902 -1.914 1.00 0.87 C ATOM 383 CD2 LEU A 25 -11.752 -6.198 -1.936 1.00 0.89 C ATOM 0 H LEU A 25 -9.507 -5.388 -5.980 1.00 0.37 H new ATOM 0 HA LEU A 25 -12.111 -6.100 -4.755 1.00 0.42 H new ATOM 0 HB2 LEU A 25 -9.650 -4.513 -4.013 1.00 0.40 H new ATOM 0 HB3 LEU A 25 -11.159 -4.079 -3.234 1.00 0.40 H new ATOM 0 HG LEU A 25 -10.388 -7.005 -3.399 1.00 0.68 H new ATOM 0 HD11 LEU A 25 -9.173 -6.758 -1.247 1.00 0.87 H new ATOM 0 HD12 LEU A 25 -8.382 -5.816 -2.533 1.00 0.87 H new ATOM 0 HD13 LEU A 25 -9.396 -4.994 -1.323 1.00 0.87 H new ATOM 0 HD21 LEU A 25 -11.661 -7.056 -1.270 1.00 0.89 H new ATOM 0 HD22 LEU A 25 -11.858 -5.289 -1.345 1.00 0.89 H new ATOM 0 HD23 LEU A 25 -12.630 -6.323 -2.570 1.00 0.89 H new ATOM 395 N ASP A 26 -13.243 -3.755 -4.878 1.00 1.16 N ATOM 396 CA ASP A 26 -14.053 -2.593 -5.346 1.00 1.50 C ATOM 397 C ASP A 26 -13.620 -1.319 -4.612 1.00 1.11 C ATOM 398 O ASP A 26 -14.292 -0.860 -3.710 1.00 1.04 O ATOM 399 CB ASP A 26 -15.529 -2.865 -5.065 1.00 2.14 C ATOM 400 CG ASP A 26 -15.655 -3.694 -3.784 1.00 4.00 C ATOM 401 OD1 ASP A 26 -15.195 -3.197 -2.771 1.00 4.99 O ATOM 402 OD2 ASP A 26 -16.206 -4.777 -3.894 1.00 4.61 O ATOM 0 H ASP A 26 -13.587 -4.219 -4.037 1.00 1.16 H new ATOM 0 HA ASP A 26 -13.898 -2.455 -6.416 1.00 1.50 H new ATOM 0 HB2 ASP A 26 -16.070 -1.925 -4.958 1.00 2.14 H new ATOM 0 HB3 ASP A 26 -15.978 -3.398 -5.903 1.00 2.14 H new ATOM 407 N ALA A 27 -12.505 -0.775 -5.017 1.00 1.00 N ATOM 408 CA ALA A 27 -12.013 0.469 -4.354 1.00 0.63 C ATOM 409 C ALA A 27 -13.124 1.523 -4.316 1.00 0.47 C ATOM 410 O ALA A 27 -13.178 2.338 -3.417 1.00 0.38 O ATOM 411 CB ALA A 27 -10.821 1.013 -5.139 1.00 0.71 C ATOM 0 H ALA A 27 -11.918 -1.132 -5.770 1.00 1.00 H new ATOM 0 HA ALA A 27 -11.713 0.238 -3.332 1.00 0.63 H new ATOM 0 HB1 ALA A 27 -10.455 1.922 -4.662 1.00 0.71 H new ATOM 0 HB2 ALA A 27 -10.026 0.267 -5.157 1.00 0.71 H new ATOM 0 HB3 ALA A 27 -11.130 1.238 -6.160 1.00 0.71 H new ATOM 417 N SER A 28 -13.988 1.483 -5.293 1.00 0.45 N ATOM 418 CA SER A 28 -15.101 2.477 -5.327 1.00 0.31 C ATOM 419 C SER A 28 -15.917 2.403 -4.033 1.00 0.33 C ATOM 420 O SER A 28 -16.453 3.393 -3.576 1.00 0.25 O ATOM 421 CB SER A 28 -16.009 2.170 -6.518 1.00 0.30 C ATOM 422 OG SER A 28 -15.438 2.907 -7.589 1.00 0.89 O ATOM 0 H SER A 28 -13.974 0.813 -6.062 1.00 0.45 H new ATOM 0 HA SER A 28 -14.684 3.479 -5.424 1.00 0.31 H new ATOM 0 HB2 SER A 28 -16.032 1.102 -6.737 1.00 0.30 H new ATOM 0 HB3 SER A 28 -17.037 2.478 -6.325 1.00 0.30 H new ATOM 0 HG SER A 28 -15.965 2.763 -8.403 1.00 0.89 H new ATOM 428 N ALA A 29 -15.993 1.228 -3.470 1.00 0.48 N ATOM 429 CA ALA A 29 -16.770 1.071 -2.205 1.00 0.55 C ATOM 430 C ALA A 29 -15.961 1.603 -1.018 1.00 0.59 C ATOM 431 O ALA A 29 -16.498 2.240 -0.135 1.00 0.75 O ATOM 432 CB ALA A 29 -17.078 -0.410 -1.990 1.00 0.64 C ATOM 0 H ALA A 29 -15.556 0.378 -3.825 1.00 0.48 H new ATOM 0 HA ALA A 29 -17.698 1.637 -2.280 1.00 0.55 H new ATOM 0 HB1 ALA A 29 -17.646 -0.533 -1.068 1.00 0.64 H new ATOM 0 HB2 ALA A 29 -17.663 -0.785 -2.829 1.00 0.64 H new ATOM 0 HB3 ALA A 29 -16.145 -0.969 -1.919 1.00 0.64 H new ATOM 438 N ILE A 30 -14.684 1.331 -1.026 1.00 0.64 N ATOM 439 CA ILE A 30 -13.826 1.814 0.096 1.00 0.65 C ATOM 440 C ILE A 30 -13.602 3.325 -0.029 1.00 0.51 C ATOM 441 O ILE A 30 -13.614 3.869 -1.116 1.00 0.59 O ATOM 442 CB ILE A 30 -12.470 1.094 0.041 1.00 0.75 C ATOM 443 CG1 ILE A 30 -12.682 -0.442 0.107 1.00 1.02 C ATOM 444 CG2 ILE A 30 -11.586 1.572 1.207 1.00 0.69 C ATOM 445 CD1 ILE A 30 -12.917 -0.917 1.556 1.00 1.15 C ATOM 0 H ILE A 30 -14.201 0.801 -1.752 1.00 0.64 H new ATOM 0 HA ILE A 30 -14.321 1.603 1.044 1.00 0.65 H new ATOM 0 HB ILE A 30 -11.970 1.331 -0.898 1.00 0.75 H new ATOM 0 HG12 ILE A 30 -13.536 -0.720 -0.511 1.00 1.02 H new ATOM 0 HG13 ILE A 30 -11.810 -0.949 -0.307 1.00 1.02 H new ATOM 0 HG21 ILE A 30 -10.624 1.061 1.168 1.00 0.69 H new ATOM 0 HG22 ILE A 30 -11.429 2.648 1.127 1.00 0.69 H new ATOM 0 HG23 ILE A 30 -12.078 1.346 2.153 1.00 0.69 H new ATOM 0 HD11 ILE A 30 -13.062 -1.997 1.566 1.00 1.15 H new ATOM 0 HD12 ILE A 30 -12.052 -0.661 2.168 1.00 1.15 H new ATOM 0 HD13 ILE A 30 -13.804 -0.428 1.960 1.00 1.15 H new ATOM 457 N LYS A 31 -13.404 3.969 1.087 1.00 0.38 N ATOM 458 CA LYS A 31 -13.177 5.445 1.052 1.00 0.23 C ATOM 459 C LYS A 31 -11.689 5.747 0.848 1.00 0.17 C ATOM 460 O LYS A 31 -10.936 4.902 0.406 1.00 1.39 O ATOM 461 CB LYS A 31 -13.643 6.053 2.374 1.00 0.41 C ATOM 462 CG LYS A 31 -15.110 5.686 2.604 1.00 0.71 C ATOM 463 CD LYS A 31 -15.587 6.321 3.912 1.00 0.99 C ATOM 464 CE LYS A 31 -16.867 7.117 3.646 1.00 1.36 C ATOM 465 NZ LYS A 31 -17.883 6.261 2.972 1.00 1.59 N ATOM 0 H LYS A 31 -13.389 3.545 2.014 1.00 0.38 H new ATOM 0 HA LYS A 31 -13.741 5.876 0.224 1.00 0.23 H new ATOM 0 HB2 LYS A 31 -13.029 5.683 3.195 1.00 0.41 H new ATOM 0 HB3 LYS A 31 -13.525 7.136 2.352 1.00 0.41 H new ATOM 0 HG2 LYS A 31 -15.720 6.037 1.772 1.00 0.71 H new ATOM 0 HG3 LYS A 31 -15.224 4.603 2.649 1.00 0.71 H new ATOM 0 HD2 LYS A 31 -15.773 5.549 4.659 1.00 0.99 H new ATOM 0 HD3 LYS A 31 -14.814 6.975 4.316 1.00 0.99 H new ATOM 0 HE2 LYS A 31 -17.268 7.496 4.586 1.00 1.36 H new ATOM 0 HE3 LYS A 31 -16.641 7.983 3.023 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 -18.836 6.611 3.197 1.00 1.59 H new ATOM 0 HZ2 LYS A 31 -17.737 6.294 1.943 1.00 1.59 H new ATOM 0 HZ3 LYS A 31 -17.786 5.280 3.305 1.00 1.59 H new ATOM 479 N GLY A 32 -11.297 6.949 1.174 1.00 0.94 N ATOM 480 CA GLY A 32 -9.864 7.321 1.007 1.00 0.68 C ATOM 481 C GLY A 32 -9.480 8.428 1.990 1.00 0.87 C ATOM 482 O GLY A 32 -10.325 9.158 2.471 1.00 1.66 O ATOM 0 H GLY A 32 -11.901 7.683 1.545 1.00 0.94 H new ATOM 0 HA2 GLY A 32 -9.234 6.447 1.170 1.00 0.68 H new ATOM 0 HA3 GLY A 32 -9.686 7.656 -0.015 1.00 0.68 H new ATOM 486 N THR A 33 -8.209 8.530 2.269 1.00 1.03 N ATOM 487 CA THR A 33 -7.748 9.583 3.221 1.00 1.37 C ATOM 488 C THR A 33 -6.367 10.102 2.806 1.00 1.38 C ATOM 489 O THR A 33 -5.546 10.430 3.640 1.00 1.96 O ATOM 490 CB THR A 33 -7.665 8.984 4.628 1.00 1.82 C ATOM 491 OG1 THR A 33 -6.517 8.144 4.598 1.00 2.24 O ATOM 492 CG2 THR A 33 -8.840 8.052 4.911 1.00 2.13 C ATOM 0 H THR A 33 -7.475 7.936 1.883 1.00 1.03 H new ATOM 0 HA THR A 33 -8.455 10.412 3.210 1.00 1.37 H new ATOM 0 HB THR A 33 -7.648 9.781 5.371 1.00 1.82 H new ATOM 0 HG1 THR A 33 -6.397 7.723 5.475 1.00 2.24 H new ATOM 0 HG21 THR A 33 -8.748 7.646 5.918 1.00 2.13 H new ATOM 0 HG22 THR A 33 -9.774 8.608 4.828 1.00 2.13 H new ATOM 0 HG23 THR A 33 -8.839 7.236 4.189 1.00 2.13 H new ATOM 500 N GLY A 34 -6.142 10.164 1.521 1.00 1.29 N ATOM 501 CA GLY A 34 -4.824 10.655 1.033 1.00 1.63 C ATOM 502 C GLY A 34 -4.894 12.147 0.710 1.00 1.92 C ATOM 503 O GLY A 34 -5.769 12.848 1.180 1.00 1.68 O ATOM 0 H GLY A 34 -6.808 9.898 0.795 1.00 1.29 H new ATOM 0 HA2 GLY A 34 -4.060 10.476 1.790 1.00 1.63 H new ATOM 0 HA3 GLY A 34 -4.528 10.098 0.144 1.00 1.63 H new ATOM 507 N VAL A 35 -3.968 12.603 -0.089 1.00 2.52 N ATOM 508 CA VAL A 35 -3.963 14.051 -0.456 1.00 2.90 C ATOM 509 C VAL A 35 -5.280 14.431 -1.141 1.00 2.50 C ATOM 510 O VAL A 35 -5.386 14.393 -2.351 1.00 3.34 O ATOM 511 CB VAL A 35 -2.798 14.320 -1.407 1.00 3.75 C ATOM 512 CG1 VAL A 35 -2.695 15.824 -1.664 1.00 4.07 C ATOM 513 CG2 VAL A 35 -1.500 13.828 -0.765 1.00 4.23 C ATOM 0 H VAL A 35 -3.221 12.044 -0.501 1.00 2.52 H new ATOM 0 HA VAL A 35 -3.853 14.650 0.448 1.00 2.90 H new ATOM 0 HB VAL A 35 -2.963 13.797 -2.349 1.00 3.75 H new ATOM 0 HG11 VAL A 35 -1.865 16.021 -2.342 1.00 4.07 H new ATOM 0 HG12 VAL A 35 -3.622 16.181 -2.112 1.00 4.07 H new ATOM 0 HG13 VAL A 35 -2.524 16.343 -0.721 1.00 4.07 H new ATOM 0 HG21 VAL A 35 -0.665 14.018 -1.440 1.00 4.23 H new ATOM 0 HG22 VAL A 35 -1.335 14.357 0.174 1.00 4.23 H new ATOM 0 HG23 VAL A 35 -1.573 12.758 -0.570 1.00 4.23 H new ATOM 523 N GLY A 36 -6.254 14.790 -0.351 1.00 1.42 N ATOM 524 CA GLY A 36 -7.567 15.178 -0.940 1.00 1.42 C ATOM 525 C GLY A 36 -8.469 13.952 -1.094 1.00 1.15 C ATOM 526 O GLY A 36 -9.659 14.080 -1.306 1.00 1.80 O ATOM 0 H GLY A 36 -6.200 14.832 0.667 1.00 1.42 H new ATOM 0 HA2 GLY A 36 -8.054 15.917 -0.303 1.00 1.42 H new ATOM 0 HA3 GLY A 36 -7.412 15.647 -1.912 1.00 1.42 H new ATOM 530 N GLY A 37 -7.884 12.789 -0.983 1.00 0.71 N ATOM 531 CA GLY A 37 -8.695 11.545 -1.120 1.00 0.58 C ATOM 532 C GLY A 37 -7.899 10.456 -1.847 1.00 0.60 C ATOM 533 O GLY A 37 -8.362 9.342 -1.996 1.00 1.27 O ATOM 0 H GLY A 37 -6.890 12.647 -0.805 1.00 0.71 H new ATOM 0 HA2 GLY A 37 -8.992 11.188 -0.134 1.00 0.58 H new ATOM 0 HA3 GLY A 37 -9.611 11.761 -1.670 1.00 0.58 H new ATOM 537 N ARG A 38 -6.717 10.799 -2.288 1.00 0.89 N ATOM 538 CA ARG A 38 -5.882 9.790 -3.006 1.00 0.89 C ATOM 539 C ARG A 38 -5.913 8.452 -2.260 1.00 0.78 C ATOM 540 O ARG A 38 -5.274 8.291 -1.239 1.00 1.22 O ATOM 541 CB ARG A 38 -4.443 10.297 -3.087 1.00 1.00 C ATOM 542 CG ARG A 38 -3.684 9.490 -4.141 1.00 1.89 C ATOM 543 CD ARG A 38 -2.191 9.811 -4.043 1.00 1.93 C ATOM 544 NE ARG A 38 -1.537 8.811 -3.153 1.00 2.45 N ATOM 545 CZ ARG A 38 -0.323 9.030 -2.727 1.00 2.92 C ATOM 546 NH1 ARG A 38 0.417 9.903 -3.353 1.00 2.76 N ATOM 547 NH2 ARG A 38 0.109 8.366 -1.690 1.00 3.99 N ATOM 0 H ARG A 38 -6.297 11.723 -2.184 1.00 0.89 H new ATOM 0 HA ARG A 38 -6.280 9.643 -4.010 1.00 0.89 H new ATOM 0 HB2 ARG A 38 -4.432 11.356 -3.345 1.00 1.00 H new ATOM 0 HB3 ARG A 38 -3.956 10.200 -2.117 1.00 1.00 H new ATOM 0 HG2 ARG A 38 -3.849 8.424 -3.988 1.00 1.89 H new ATOM 0 HG3 ARG A 38 -4.055 9.731 -5.137 1.00 1.89 H new ATOM 0 HD2 ARG A 38 -1.735 9.789 -5.033 1.00 1.93 H new ATOM 0 HD3 ARG A 38 -2.047 10.817 -3.649 1.00 1.93 H new ATOM 0 HE ARG A 38 -2.033 7.963 -2.879 1.00 2.45 H new ATOM 0 HH11 ARG A 38 0.044 10.401 -4.161 1.00 2.76 H new ATOM 0 HH12 ARG A 38 1.368 10.087 -3.034 1.00 2.76 H new ATOM 0 HH21 ARG A 38 -0.499 7.690 -1.228 1.00 3.99 H new ATOM 0 HH22 ARG A 38 1.055 8.523 -1.342 1.00 3.99 H new ATOM 561 N LEU A 39 -6.658 7.519 -2.789 1.00 0.73 N ATOM 562 CA LEU A 39 -6.748 6.185 -2.125 1.00 0.59 C ATOM 563 C LEU A 39 -5.343 5.650 -1.818 1.00 0.66 C ATOM 564 O LEU A 39 -4.504 5.568 -2.694 1.00 0.85 O ATOM 565 CB LEU A 39 -7.475 5.212 -3.060 1.00 0.67 C ATOM 566 CG LEU A 39 -7.707 3.872 -2.341 1.00 0.63 C ATOM 567 CD1 LEU A 39 -8.654 4.074 -1.151 1.00 0.62 C ATOM 568 CD2 LEU A 39 -8.343 2.883 -3.321 1.00 0.88 C ATOM 0 H LEU A 39 -7.204 7.620 -3.645 1.00 0.73 H new ATOM 0 HA LEU A 39 -7.297 6.283 -1.189 1.00 0.59 H new ATOM 0 HB2 LEU A 39 -8.429 5.637 -3.372 1.00 0.67 H new ATOM 0 HB3 LEU A 39 -6.886 5.053 -3.963 1.00 0.67 H new ATOM 0 HG LEU A 39 -6.753 3.486 -1.982 1.00 0.63 H new ATOM 0 HD11 LEU A 39 -8.813 3.121 -0.647 1.00 0.62 H new ATOM 0 HD12 LEU A 39 -8.213 4.785 -0.452 1.00 0.62 H new ATOM 0 HD13 LEU A 39 -9.609 4.460 -1.507 1.00 0.62 H new ATOM 0 HD21 LEU A 39 -8.511 1.930 -2.819 1.00 0.88 H new ATOM 0 HD22 LEU A 39 -9.295 3.280 -3.673 1.00 0.88 H new ATOM 0 HD23 LEU A 39 -7.677 2.733 -4.170 1.00 0.88 H new ATOM 580 N THR A 40 -5.123 5.297 -0.577 1.00 0.54 N ATOM 581 CA THR A 40 -3.784 4.761 -0.184 1.00 0.65 C ATOM 582 C THR A 40 -3.861 3.245 0.021 1.00 0.68 C ATOM 583 O THR A 40 -4.828 2.614 -0.358 1.00 0.66 O ATOM 584 CB THR A 40 -3.343 5.429 1.122 1.00 0.60 C ATOM 585 OG1 THR A 40 -4.234 4.919 2.110 1.00 0.48 O ATOM 586 CG2 THR A 40 -3.592 6.934 1.094 1.00 0.55 C ATOM 0 H THR A 40 -5.807 5.356 0.177 1.00 0.54 H new ATOM 0 HA THR A 40 -3.065 4.974 -0.975 1.00 0.65 H new ATOM 0 HB THR A 40 -2.284 5.240 1.297 1.00 0.60 H new ATOM 0 HG1 THR A 40 -5.131 5.286 1.962 1.00 0.48 H new ATOM 0 HG21 THR A 40 -3.267 7.374 2.037 1.00 0.55 H new ATOM 0 HG22 THR A 40 -3.031 7.380 0.273 1.00 0.55 H new ATOM 0 HG23 THR A 40 -4.656 7.124 0.952 1.00 0.55 H new ATOM 594 N ARG A 41 -2.838 2.693 0.616 1.00 0.75 N ATOM 595 CA ARG A 41 -2.832 1.218 0.856 1.00 0.79 C ATOM 596 C ARG A 41 -3.266 0.914 2.293 1.00 0.70 C ATOM 597 O ARG A 41 -3.460 -0.230 2.658 1.00 0.74 O ATOM 598 CB ARG A 41 -1.420 0.681 0.626 1.00 1.07 C ATOM 599 CG ARG A 41 -1.489 -0.828 0.376 1.00 1.35 C ATOM 600 CD ARG A 41 -0.279 -1.500 1.028 1.00 1.02 C ATOM 601 NE ARG A 41 -0.515 -1.602 2.496 1.00 0.70 N ATOM 602 CZ ARG A 41 0.503 -1.761 3.298 1.00 0.81 C ATOM 603 NH1 ARG A 41 1.036 -2.946 3.413 1.00 0.61 N ATOM 604 NH2 ARG A 41 0.951 -0.730 3.960 1.00 2.00 N ATOM 0 H ARG A 41 -2.012 3.193 0.944 1.00 0.75 H new ATOM 0 HA ARG A 41 -3.530 0.739 0.169 1.00 0.79 H new ATOM 0 HB2 ARG A 41 -0.962 1.182 -0.227 1.00 1.07 H new ATOM 0 HB3 ARG A 41 -0.793 0.890 1.493 1.00 1.07 H new ATOM 0 HG2 ARG A 41 -2.412 -1.235 0.788 1.00 1.35 H new ATOM 0 HG3 ARG A 41 -1.500 -1.032 -0.695 1.00 1.35 H new ATOM 0 HD2 ARG A 41 -0.123 -2.491 0.602 1.00 1.02 H new ATOM 0 HD3 ARG A 41 0.624 -0.923 0.831 1.00 1.02 H new ATOM 0 HE ARG A 41 -1.462 -1.548 2.870 1.00 0.70 H new ATOM 0 HH11 ARG A 41 0.657 -3.729 2.881 1.00 0.61 H new ATOM 0 HH12 ARG A 41 1.832 -3.089 4.035 1.00 0.61 H new ATOM 0 HH21 ARG A 41 0.507 0.181 3.846 1.00 2.00 H new ATOM 0 HH22 ARG A 41 1.745 -0.835 4.591 1.00 2.00 H new ATOM 618 N GLU A 42 -3.409 1.945 3.079 1.00 0.73 N ATOM 619 CA GLU A 42 -3.828 1.733 4.497 1.00 0.69 C ATOM 620 C GLU A 42 -5.356 1.666 4.596 1.00 0.48 C ATOM 621 O GLU A 42 -5.901 1.389 5.646 1.00 0.56 O ATOM 622 CB GLU A 42 -3.314 2.894 5.348 1.00 0.78 C ATOM 623 CG GLU A 42 -2.869 2.358 6.710 1.00 0.31 C ATOM 624 CD GLU A 42 -2.579 3.534 7.645 1.00 0.67 C ATOM 625 OE1 GLU A 42 -1.974 4.475 7.160 1.00 1.43 O ATOM 626 OE2 GLU A 42 -2.980 3.424 8.793 1.00 1.51 O ATOM 0 H GLU A 42 -3.256 2.916 2.807 1.00 0.73 H new ATOM 0 HA GLU A 42 -3.411 0.792 4.857 1.00 0.69 H new ATOM 0 HB2 GLU A 42 -2.481 3.387 4.847 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -4.097 3.642 5.476 1.00 0.78 H new ATOM 0 HG2 GLU A 42 -3.646 1.723 7.136 1.00 0.31 H new ATOM 0 HG3 GLU A 42 -1.978 1.740 6.597 1.00 0.31 H new ATOM 633 N ASP A 43 -6.014 1.920 3.498 1.00 0.37 N ATOM 634 CA ASP A 43 -7.506 1.875 3.510 1.00 0.14 C ATOM 635 C ASP A 43 -7.999 0.509 3.023 1.00 0.11 C ATOM 636 O ASP A 43 -8.869 -0.091 3.625 1.00 0.32 O ATOM 637 CB ASP A 43 -8.046 2.970 2.592 1.00 0.18 C ATOM 638 CG ASP A 43 -7.642 4.338 3.143 1.00 0.24 C ATOM 639 OD1 ASP A 43 -7.956 4.570 4.299 1.00 0.66 O ATOM 640 OD2 ASP A 43 -7.042 5.075 2.378 1.00 1.25 O ATOM 0 H ASP A 43 -5.589 2.155 2.601 1.00 0.37 H new ATOM 0 HA ASP A 43 -7.862 2.034 4.528 1.00 0.14 H new ATOM 0 HB2 ASP A 43 -7.653 2.841 1.583 1.00 0.18 H new ATOM 0 HB3 ASP A 43 -9.132 2.899 2.523 1.00 0.18 H new ATOM 645 N VAL A 44 -7.433 0.046 1.942 1.00 0.24 N ATOM 646 CA VAL A 44 -7.858 -1.279 1.402 1.00 0.20 C ATOM 647 C VAL A 44 -7.426 -2.401 2.352 1.00 0.13 C ATOM 648 O VAL A 44 -8.011 -3.467 2.363 1.00 0.10 O ATOM 649 CB VAL A 44 -7.212 -1.491 0.035 1.00 0.30 C ATOM 650 CG1 VAL A 44 -7.627 -2.859 -0.512 1.00 0.27 C ATOM 651 CG2 VAL A 44 -7.689 -0.399 -0.925 1.00 0.56 C ATOM 0 H VAL A 44 -6.702 0.521 1.413 1.00 0.24 H new ATOM 0 HA VAL A 44 -8.944 -1.297 1.307 1.00 0.20 H new ATOM 0 HB VAL A 44 -6.127 -1.446 0.131 1.00 0.30 H new ATOM 0 HG11 VAL A 44 -7.168 -3.015 -1.488 1.00 0.27 H new ATOM 0 HG12 VAL A 44 -7.297 -3.640 0.173 1.00 0.27 H new ATOM 0 HG13 VAL A 44 -8.712 -2.898 -0.611 1.00 0.27 H new ATOM 0 HG21 VAL A 44 -7.229 -0.547 -1.902 1.00 0.56 H new ATOM 0 HG22 VAL A 44 -8.773 -0.449 -1.023 1.00 0.56 H new ATOM 0 HG23 VAL A 44 -7.404 0.578 -0.535 1.00 0.56 H new ATOM 661 N GLU A 45 -6.412 -2.137 3.128 1.00 0.15 N ATOM 662 CA GLU A 45 -5.929 -3.178 4.081 1.00 0.16 C ATOM 663 C GLU A 45 -6.976 -3.422 5.173 1.00 0.27 C ATOM 664 O GLU A 45 -7.191 -4.543 5.592 1.00 0.41 O ATOM 665 CB GLU A 45 -4.625 -2.704 4.723 1.00 0.37 C ATOM 666 CG GLU A 45 -3.547 -3.769 4.512 1.00 1.28 C ATOM 667 CD GLU A 45 -2.263 -3.336 5.222 1.00 1.72 C ATOM 668 OE1 GLU A 45 -2.388 -2.928 6.365 1.00 1.32 O ATOM 669 OE2 GLU A 45 -1.230 -3.437 4.582 1.00 2.85 O ATOM 0 H GLU A 45 -5.900 -1.255 3.145 1.00 0.15 H new ATOM 0 HA GLU A 45 -5.760 -4.109 3.540 1.00 0.16 H new ATOM 0 HB2 GLU A 45 -4.311 -1.758 4.282 1.00 0.37 H new ATOM 0 HB3 GLU A 45 -4.773 -2.525 5.788 1.00 0.37 H new ATOM 0 HG2 GLU A 45 -3.886 -4.729 4.902 1.00 1.28 H new ATOM 0 HG3 GLU A 45 -3.359 -3.907 3.447 1.00 1.28 H new ATOM 676 N LYS A 46 -7.604 -2.366 5.611 1.00 0.36 N ATOM 677 CA LYS A 46 -8.640 -2.519 6.675 1.00 0.53 C ATOM 678 C LYS A 46 -9.933 -3.082 6.078 1.00 0.57 C ATOM 679 O LYS A 46 -11.016 -2.643 6.410 1.00 1.13 O ATOM 680 CB LYS A 46 -8.920 -1.152 7.300 1.00 0.68 C ATOM 681 CG LYS A 46 -7.756 -0.773 8.219 1.00 1.60 C ATOM 682 CD LYS A 46 -7.706 0.749 8.363 1.00 2.30 C ATOM 683 CE LYS A 46 -6.567 1.126 9.311 1.00 3.43 C ATOM 684 NZ LYS A 46 -7.099 1.830 10.511 1.00 3.36 N ATOM 0 H LYS A 46 -7.448 -1.413 5.284 1.00 0.36 H new ATOM 0 HA LYS A 46 -8.274 -3.209 7.436 1.00 0.53 H new ATOM 0 HB2 LYS A 46 -9.044 -0.400 6.520 1.00 0.68 H new ATOM 0 HB3 LYS A 46 -9.851 -1.181 7.865 1.00 0.68 H new ATOM 0 HG2 LYS A 46 -7.882 -1.239 9.196 1.00 1.60 H new ATOM 0 HG3 LYS A 46 -6.817 -1.143 7.808 1.00 1.60 H new ATOM 0 HD2 LYS A 46 -7.554 1.214 7.389 1.00 2.30 H new ATOM 0 HD3 LYS A 46 -8.655 1.121 8.749 1.00 2.30 H new ATOM 0 HE2 LYS A 46 -6.029 0.229 9.617 1.00 3.43 H new ATOM 0 HE3 LYS A 46 -5.852 1.766 8.794 1.00 3.43 H new ATOM 0 HZ1 LYS A 46 -6.313 2.079 11.144 1.00 3.36 H new ATOM 0 HZ2 LYS A 46 -7.593 2.696 10.215 1.00 3.36 H new ATOM 0 HZ3 LYS A 46 -7.764 1.207 11.013 1.00 3.36 H new ATOM 698 N HIS A 47 -9.791 -4.043 5.208 1.00 0.61 N ATOM 699 CA HIS A 47 -11.003 -4.647 4.579 1.00 0.77 C ATOM 700 C HIS A 47 -10.755 -6.126 4.264 1.00 0.78 C ATOM 701 O HIS A 47 -11.647 -6.944 4.372 1.00 1.03 O ATOM 702 CB HIS A 47 -11.319 -3.899 3.285 1.00 0.79 C ATOM 703 CG HIS A 47 -12.828 -3.942 3.033 1.00 1.14 C ATOM 704 ND1 HIS A 47 -13.685 -3.309 3.692 1.00 1.38 N ATOM 705 CD2 HIS A 47 -13.545 -4.645 2.081 1.00 1.39 C ATOM 706 CE1 HIS A 47 -14.859 -3.535 3.261 1.00 1.70 C ATOM 707 NE2 HIS A 47 -14.867 -4.379 2.232 1.00 1.73 N ATOM 0 H HIS A 47 -8.899 -4.434 4.906 1.00 0.61 H new ATOM 0 HA HIS A 47 -11.842 -4.569 5.270 1.00 0.77 H new ATOM 0 HB2 HIS A 47 -10.980 -2.866 3.356 1.00 0.79 H new ATOM 0 HB3 HIS A 47 -10.786 -4.353 2.449 1.00 0.79 H new ATOM 0 HD2 HIS A 47 -13.120 -5.301 1.336 1.00 1.39 H new ATOM 0 HE1 HIS A 47 -15.749 -3.092 3.682 1.00 1.70 H new ATOM 0 HE2 HIS A 47 -15.660 -4.733 1.697 1.00 1.73 H new ATOM 715 N LEU A 48 -9.546 -6.437 3.884 1.00 0.53 N ATOM 716 CA LEU A 48 -9.222 -7.857 3.559 1.00 0.55 C ATOM 717 C LEU A 48 -9.188 -8.697 4.840 1.00 0.66 C ATOM 718 O LEU A 48 -9.036 -9.902 4.792 1.00 1.11 O ATOM 719 CB LEU A 48 -7.858 -7.916 2.875 1.00 0.34 C ATOM 720 CG LEU A 48 -8.034 -7.646 1.378 1.00 0.75 C ATOM 721 CD1 LEU A 48 -6.769 -6.981 0.833 1.00 0.85 C ATOM 722 CD2 LEU A 48 -8.258 -8.974 0.651 1.00 0.92 C ATOM 0 H LEU A 48 -8.774 -5.777 3.785 1.00 0.53 H new ATOM 0 HA LEU A 48 -9.988 -8.257 2.894 1.00 0.55 H new ATOM 0 HB2 LEU A 48 -7.186 -7.178 3.313 1.00 0.34 H new ATOM 0 HB3 LEU A 48 -7.402 -8.894 3.029 1.00 0.34 H new ATOM 0 HG LEU A 48 -8.890 -6.990 1.221 1.00 0.75 H new ATOM 0 HD11 LEU A 48 -6.890 -6.787 -0.233 1.00 0.85 H new ATOM 0 HD12 LEU A 48 -6.598 -6.040 1.356 1.00 0.85 H new ATOM 0 HD13 LEU A 48 -5.916 -7.641 0.987 1.00 0.85 H new ATOM 0 HD21 LEU A 48 -8.384 -8.788 -0.416 1.00 0.92 H new ATOM 0 HD22 LEU A 48 -7.397 -9.624 0.807 1.00 0.92 H new ATOM 0 HD23 LEU A 48 -9.153 -9.457 1.043 1.00 0.92 H new ATOM 734 N ALA A 49 -9.330 -8.043 5.960 1.00 1.38 N ATOM 735 CA ALA A 49 -9.308 -8.788 7.252 1.00 1.62 C ATOM 736 C ALA A 49 -9.800 -7.887 8.391 1.00 2.97 C ATOM 737 O ALA A 49 -9.448 -6.728 8.465 1.00 3.99 O ATOM 738 CB ALA A 49 -7.879 -9.241 7.543 1.00 2.54 C ATOM 0 H ALA A 49 -9.459 -7.034 6.038 1.00 1.38 H new ATOM 0 HA ALA A 49 -9.966 -9.654 7.178 1.00 1.62 H new ATOM 0 HB1 ALA A 49 -7.855 -9.786 8.486 1.00 2.54 H new ATOM 0 HB2 ALA A 49 -7.532 -9.891 6.739 1.00 2.54 H new ATOM 0 HB3 ALA A 49 -7.228 -8.370 7.611 1.00 2.54 H new ATOM 744 N LYS A 50 -10.606 -8.444 9.254 1.00 3.20 N ATOM 745 CA LYS A 50 -11.130 -7.635 10.392 1.00 4.67 C ATOM 746 C LYS A 50 -10.085 -7.557 11.511 1.00 5.37 C ATOM 747 O LYS A 50 -9.846 -6.504 12.068 1.00 6.58 O ATOM 748 CB LYS A 50 -12.402 -8.291 10.929 1.00 4.96 C ATOM 749 CG LYS A 50 -13.547 -8.044 9.943 1.00 5.40 C ATOM 750 CD LYS A 50 -14.448 -6.935 10.489 1.00 6.89 C ATOM 751 CE LYS A 50 -15.563 -6.653 9.480 1.00 7.84 C ATOM 752 NZ LYS A 50 -16.740 -6.046 10.159 1.00 9.14 N ATOM 0 H LYS A 50 -10.922 -9.413 9.222 1.00 3.20 H new ATOM 0 HA LYS A 50 -11.350 -6.626 10.043 1.00 4.67 H new ATOM 0 HB2 LYS A 50 -12.245 -9.361 11.063 1.00 4.96 H new ATOM 0 HB3 LYS A 50 -12.653 -7.881 11.907 1.00 4.96 H new ATOM 0 HG2 LYS A 50 -13.149 -7.760 8.969 1.00 5.40 H new ATOM 0 HG3 LYS A 50 -14.122 -8.958 9.798 1.00 5.40 H new ATOM 0 HD2 LYS A 50 -14.874 -7.234 11.447 1.00 6.89 H new ATOM 0 HD3 LYS A 50 -13.865 -6.031 10.668 1.00 6.89 H new ATOM 0 HE2 LYS A 50 -15.197 -5.981 8.704 1.00 7.84 H new ATOM 0 HE3 LYS A 50 -15.858 -7.579 8.987 1.00 7.84 H new ATOM 0 HZ1 LYS A 50 -17.487 -5.861 9.460 1.00 9.14 H new ATOM 0 HZ2 LYS A 50 -17.098 -6.700 10.884 1.00 9.14 H new ATOM 0 HZ3 LYS A 50 -16.458 -5.152 10.609 1.00 9.14 H new ATOM 766 N ALA A 51 -9.485 -8.675 11.813 1.00 4.91 N ATOM 767 CA ALA A 51 -8.453 -8.684 12.891 1.00 5.95 C ATOM 768 C ALA A 51 -7.367 -9.719 12.575 1.00 5.41 C ATOM 769 O ALA A 51 -6.289 -9.556 13.121 1.00 6.25 O ATOM 770 CB ALA A 51 -9.121 -9.035 14.219 1.00 6.99 C ATOM 771 OXT ALA A 51 -7.679 -10.612 11.805 1.00 4.42 O ATOM 0 H ALA A 51 -9.661 -9.575 11.366 1.00 4.91 H new ATOM 0 HA ALA A 51 -7.992 -7.698 12.956 1.00 5.95 H new ATOM 0 HB1 ALA A 51 -8.373 -9.043 15.012 1.00 6.99 H new ATOM 0 HB2 ALA A 51 -9.885 -8.293 14.449 1.00 6.99 H new ATOM 0 HB3 ALA A 51 -9.582 -10.020 14.145 1.00 6.99 H new TER 777 ALA A 51