USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 809 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 29 TYR OH : rot 145:sc= -0.014 USER MOD Set 1.2: A 97 THR OG1 : rot 133:sc= 1.84 USER MOD Set 2.1: A 57 CYS SG : rot -99:sc= -0.17 USER MOD Set 2.2: A 89 HIS : no HD1:sc= -1.88! C(o=-2.1!,f=-4.9!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.212 K(o=0.21,f=-4.6!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -13:sc= -0.474 USER MOD Single : A 54 SER OG : rot 180:sc= 0.103 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -2.32 K(o=-2.3,f=-2.9) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 70 THR OG1 : rot -40:sc= 0.135! USER MOD Single : A 72 SER OG : rot -54:sc= 0.577 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.503 K(o=-0.5,f=-4.3!) USER MOD Single : A 81 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.201 USER MOD Single : A 87 CYS SG : rot 130:sc= -0.643 USER MOD Single : A 90 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.72) USER MOD Single : A 95 LYS NZ :NH3+ 162:sc= -0.172 (180deg=-0.181) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N ARG A 7 6.361 6.603 -4.209 1.00 61.14 N ATOM 64 CA ARG A 7 7.446 6.337 -3.273 1.00 25.33 C ATOM 65 C ARG A 7 8.140 5.019 -3.605 1.00 20.34 C ATOM 66 O ARG A 7 9.350 4.981 -3.831 1.00 43.04 O ATOM 67 CB ARG A 7 6.914 6.298 -1.839 1.00 11.23 C ATOM 68 CG ARG A 7 7.000 7.635 -1.121 1.00 45.02 C ATOM 69 CD ARG A 7 8.085 7.625 -0.055 1.00 1.33 C ATOM 70 NE ARG A 7 9.415 7.814 -0.626 1.00 5.21 N ATOM 71 CZ ARG A 7 10.463 8.236 0.075 1.00 73.01 C ATOM 72 NH1 ARG A 7 10.334 8.510 1.366 1.00 55.03 N ATOM 73 NH2 ARG A 7 11.642 8.383 -0.516 1.00 75.12 N ATOM 0 HA ARG A 7 8.174 7.144 -3.361 1.00 25.33 H new ATOM 0 HB2 ARG A 7 5.875 5.970 -1.855 1.00 11.23 H new ATOM 0 HB3 ARG A 7 7.474 5.554 -1.273 1.00 11.23 H new ATOM 0 HG2 ARG A 7 7.205 8.425 -1.844 1.00 45.02 H new ATOM 0 HG3 ARG A 7 6.039 7.865 -0.662 1.00 45.02 H new ATOM 0 HD2 ARG A 7 7.887 8.413 0.671 1.00 1.33 H new ATOM 0 HD3 ARG A 7 8.054 6.679 0.485 1.00 1.33 H new ATOM 0 HE ARG A 7 9.548 7.611 -1.617 1.00 5.21 H new ATOM 0 HH11 ARG A 7 9.429 8.397 1.823 1.00 55.03 H new ATOM 0 HH12 ARG A 7 11.139 8.834 1.902 1.00 55.03 H new ATOM 0 HH21 ARG A 7 11.745 8.172 -1.509 1.00 75.12 H new ATOM 0 HH22 ARG A 7 12.446 8.707 0.022 1.00 75.12 H new ATOM 87 N LEU A 8 7.366 3.940 -3.630 1.00 60.41 N ATOM 88 CA LEU A 8 7.906 2.618 -3.933 1.00 41.14 C ATOM 89 C LEU A 8 8.332 2.527 -5.395 1.00 30.53 C ATOM 90 O LEU A 8 8.172 3.478 -6.159 1.00 71.41 O ATOM 91 CB LEU A 8 6.867 1.538 -3.624 1.00 44.04 C ATOM 92 CG LEU A 8 6.242 1.588 -2.230 1.00 34.21 C ATOM 93 CD1 LEU A 8 5.160 0.528 -2.092 1.00 5.31 C ATOM 94 CD2 LEU A 8 7.309 1.405 -1.161 1.00 10.34 C ATOM 0 H LEU A 8 6.363 3.954 -3.444 1.00 60.41 H new ATOM 0 HA LEU A 8 8.784 2.458 -3.307 1.00 41.14 H new ATOM 0 HB2 LEU A 8 6.068 1.609 -4.362 1.00 44.04 H new ATOM 0 HB3 LEU A 8 7.336 0.563 -3.755 1.00 44.04 H new ATOM 0 HG LEU A 8 5.783 2.567 -2.093 1.00 34.21 H new ATOM 0 HD11 LEU A 8 4.726 0.579 -1.093 1.00 5.31 H new ATOM 0 HD12 LEU A 8 4.382 0.704 -2.835 1.00 5.31 H new ATOM 0 HD13 LEU A 8 5.595 -0.459 -2.249 1.00 5.31 H new ATOM 0 HD21 LEU A 8 6.846 1.443 -0.175 1.00 10.34 H new ATOM 0 HD22 LEU A 8 7.797 0.440 -1.296 1.00 10.34 H new ATOM 0 HD23 LEU A 8 8.049 2.201 -1.246 1.00 10.34 H new ATOM 106 N SER A 9 8.874 1.374 -5.777 1.00 15.30 N ATOM 107 CA SER A 9 9.324 1.159 -7.146 1.00 62.35 C ATOM 108 C SER A 9 9.058 -0.278 -7.587 1.00 54.12 C ATOM 109 O SER A 9 8.459 -1.063 -6.853 1.00 12.51 O ATOM 110 CB SER A 9 10.816 1.472 -7.271 1.00 4.31 C ATOM 111 OG SER A 9 11.397 1.700 -5.998 1.00 71.02 O ATOM 0 H SER A 9 9.012 0.576 -5.157 1.00 15.30 H new ATOM 0 HA SER A 9 8.762 1.831 -7.795 1.00 62.35 H new ATOM 0 HB2 SER A 9 11.325 0.643 -7.763 1.00 4.31 H new ATOM 0 HB3 SER A 9 10.955 2.351 -7.901 1.00 4.31 H new ATOM 0 HG SER A 9 12.351 1.896 -6.104 1.00 71.02 H new ATOM 117 N GLY A 10 9.506 -0.614 -8.793 1.00 2.33 N ATOM 118 CA GLY A 10 9.307 -1.954 -9.310 1.00 61.43 C ATOM 119 C GLY A 10 9.666 -3.027 -8.300 1.00 42.54 C ATOM 120 O GLY A 10 8.962 -4.026 -8.168 1.00 54.52 O ATOM 0 H GLY A 10 10.003 0.018 -9.420 1.00 2.33 H new ATOM 0 HA2 GLY A 10 8.265 -2.074 -9.607 1.00 61.43 H new ATOM 0 HA3 GLY A 10 9.912 -2.087 -10.207 1.00 61.43 H new ATOM 124 N GLY A 11 10.769 -2.819 -7.587 1.00 10.13 N ATOM 125 CA GLY A 11 11.203 -3.785 -6.595 1.00 2.11 C ATOM 126 C GLY A 11 10.140 -4.059 -5.550 1.00 24.45 C ATOM 127 O GLY A 11 9.741 -5.206 -5.349 1.00 12.13 O ATOM 0 H GLY A 11 11.369 -1.999 -7.679 1.00 10.13 H new ATOM 0 HA2 GLY A 11 11.468 -4.718 -7.092 1.00 2.11 H new ATOM 0 HA3 GLY A 11 12.104 -3.418 -6.104 1.00 2.11 H new ATOM 131 N GLU A 12 9.682 -3.005 -4.882 1.00 14.14 N ATOM 132 CA GLU A 12 8.661 -3.140 -3.850 1.00 61.32 C ATOM 133 C GLU A 12 7.323 -3.552 -4.459 1.00 24.33 C ATOM 134 O GLU A 12 6.526 -4.243 -3.823 1.00 11.54 O ATOM 135 CB GLU A 12 8.501 -1.825 -3.085 1.00 1.43 C ATOM 136 CG GLU A 12 8.890 -1.922 -1.619 1.00 20.12 C ATOM 137 CD GLU A 12 10.220 -2.621 -1.413 1.00 72.55 C ATOM 138 OE1 GLU A 12 11.268 -1.964 -1.577 1.00 42.40 O ATOM 139 OE2 GLU A 12 10.212 -3.828 -1.088 1.00 12.41 O ATOM 0 H GLU A 12 10.002 -2.049 -5.037 1.00 14.14 H new ATOM 0 HA GLU A 12 8.981 -3.919 -3.158 1.00 61.32 H new ATOM 0 HB2 GLU A 12 9.111 -1.059 -3.564 1.00 1.43 H new ATOM 0 HB3 GLU A 12 7.464 -1.497 -3.156 1.00 1.43 H new ATOM 0 HG2 GLU A 12 8.941 -0.920 -1.193 1.00 20.12 H new ATOM 0 HG3 GLU A 12 8.113 -2.460 -1.076 1.00 20.12 H new ATOM 146 N LEU A 13 7.085 -3.125 -5.693 1.00 4.10 N ATOM 147 CA LEU A 13 5.844 -3.448 -6.389 1.00 25.00 C ATOM 148 C LEU A 13 5.662 -4.959 -6.503 1.00 4.53 C ATOM 149 O LEU A 13 4.560 -5.476 -6.326 1.00 12.33 O ATOM 150 CB LEU A 13 5.838 -2.815 -7.782 1.00 64.12 C ATOM 151 CG LEU A 13 4.730 -1.797 -8.052 1.00 14.54 C ATOM 152 CD1 LEU A 13 5.215 -0.722 -9.011 1.00 52.11 C ATOM 153 CD2 LEU A 13 3.492 -2.489 -8.603 1.00 60.22 C ATOM 0 H LEU A 13 7.735 -2.554 -6.233 1.00 4.10 H new ATOM 0 HA LEU A 13 5.014 -3.043 -5.809 1.00 25.00 H new ATOM 0 HB2 LEU A 13 6.799 -2.326 -7.941 1.00 64.12 H new ATOM 0 HB3 LEU A 13 5.759 -3.612 -8.521 1.00 64.12 H new ATOM 0 HG LEU A 13 4.464 -1.319 -7.109 1.00 14.54 H new ATOM 0 HD11 LEU A 13 4.413 -0.006 -9.191 1.00 52.11 H new ATOM 0 HD12 LEU A 13 6.071 -0.206 -8.576 1.00 52.11 H new ATOM 0 HD13 LEU A 13 5.510 -1.182 -9.954 1.00 52.11 H new ATOM 0 HD21 LEU A 13 2.714 -1.749 -8.789 1.00 60.22 H new ATOM 0 HD22 LEU A 13 3.742 -2.995 -9.536 1.00 60.22 H new ATOM 0 HD23 LEU A 13 3.132 -3.220 -7.879 1.00 60.22 H new ATOM 165 N ASP A 14 6.751 -5.660 -6.799 1.00 3.03 N ATOM 166 CA ASP A 14 6.712 -7.112 -6.933 1.00 43.41 C ATOM 167 C ASP A 14 5.998 -7.748 -5.745 1.00 71.33 C ATOM 168 O ASP A 14 5.158 -8.632 -5.913 1.00 33.13 O ATOM 169 CB ASP A 14 8.131 -7.671 -7.051 1.00 21.31 C ATOM 170 CG ASP A 14 8.346 -8.433 -8.344 1.00 71.41 C ATOM 171 OD1 ASP A 14 8.576 -7.783 -9.385 1.00 43.21 O ATOM 172 OD2 ASP A 14 8.286 -9.681 -8.314 1.00 54.43 O ATOM 0 H ASP A 14 7.671 -5.247 -6.951 1.00 3.03 H new ATOM 0 HA ASP A 14 6.157 -7.355 -7.839 1.00 43.41 H new ATOM 0 HB2 ASP A 14 8.847 -6.852 -6.992 1.00 21.31 H new ATOM 0 HB3 ASP A 14 8.330 -8.330 -6.206 1.00 21.31 H new ATOM 177 N LYS A 15 6.338 -7.294 -4.543 1.00 63.13 N ATOM 178 CA LYS A 15 5.731 -7.818 -3.326 1.00 73.01 C ATOM 179 C LYS A 15 4.317 -7.275 -3.146 1.00 53.41 C ATOM 180 O LYS A 15 3.401 -8.009 -2.776 1.00 4.01 O ATOM 181 CB LYS A 15 6.586 -7.459 -2.109 1.00 71.41 C ATOM 182 CG LYS A 15 7.302 -8.651 -1.496 1.00 43.05 C ATOM 183 CD LYS A 15 8.203 -8.229 -0.348 1.00 44.01 C ATOM 184 CE LYS A 15 9.566 -8.898 -0.434 1.00 23.13 C ATOM 185 NZ LYS A 15 10.554 -8.264 0.482 1.00 32.34 N ATOM 0 H LYS A 15 7.032 -6.563 -4.386 1.00 63.13 H new ATOM 0 HA LYS A 15 5.676 -8.903 -3.416 1.00 73.01 H new ATOM 0 HB2 LYS A 15 7.325 -6.713 -2.402 1.00 71.41 H new ATOM 0 HB3 LYS A 15 5.951 -6.999 -1.352 1.00 71.41 H new ATOM 0 HG2 LYS A 15 6.568 -9.373 -1.138 1.00 43.05 H new ATOM 0 HG3 LYS A 15 7.895 -9.153 -2.260 1.00 43.05 H new ATOM 0 HD2 LYS A 15 8.327 -7.146 -0.360 1.00 44.01 H new ATOM 0 HD3 LYS A 15 7.730 -8.485 0.600 1.00 44.01 H new ATOM 0 HE2 LYS A 15 9.468 -9.955 -0.187 1.00 23.13 H new ATOM 0 HE3 LYS A 15 9.933 -8.843 -1.459 1.00 23.13 H new ATOM 0 HZ1 LYS A 15 11.470 -8.749 0.394 1.00 32.34 H new ATOM 0 HZ2 LYS A 15 10.667 -7.261 0.230 1.00 32.34 H new ATOM 0 HZ3 LYS A 15 10.216 -8.339 1.463 1.00 32.34 H new ATOM 199 N TRP A 16 4.147 -5.984 -3.412 1.00 53.22 N ATOM 200 CA TRP A 16 2.843 -5.342 -3.281 1.00 23.31 C ATOM 201 C TRP A 16 1.802 -6.044 -4.144 1.00 70.21 C ATOM 202 O TRP A 16 0.646 -6.186 -3.746 1.00 14.03 O ATOM 203 CB TRP A 16 2.937 -3.866 -3.671 1.00 21.24 C ATOM 204 CG TRP A 16 1.608 -3.176 -3.708 1.00 32.32 C ATOM 205 CD1 TRP A 16 0.978 -2.667 -4.808 1.00 23.21 C ATOM 206 CD2 TRP A 16 0.745 -2.918 -2.594 1.00 42.21 C ATOM 207 NE1 TRP A 16 -0.224 -2.108 -4.445 1.00 21.15 N ATOM 208 CE2 TRP A 16 -0.390 -2.249 -3.093 1.00 31.12 C ATOM 209 CE3 TRP A 16 0.821 -3.187 -1.225 1.00 31.41 C ATOM 210 CZ2 TRP A 16 -1.438 -1.847 -2.269 1.00 52.23 C ATOM 211 CZ3 TRP A 16 -0.220 -2.787 -0.409 1.00 23.15 C ATOM 212 CH2 TRP A 16 -1.337 -2.124 -0.933 1.00 10.24 C ATOM 0 H TRP A 16 4.895 -5.362 -3.719 1.00 53.22 H new ATOM 0 HA TRP A 16 2.532 -5.416 -2.239 1.00 23.31 H new ATOM 0 HB2 TRP A 16 3.586 -3.351 -2.963 1.00 21.24 H new ATOM 0 HB3 TRP A 16 3.407 -3.786 -4.651 1.00 21.24 H new ATOM 0 HD1 TRP A 16 1.367 -2.699 -5.815 1.00 23.21 H new ATOM 0 HE1 TRP A 16 -0.885 -1.661 -5.080 1.00 21.15 H new ATOM 0 HE3 TRP A 16 1.678 -3.698 -0.812 1.00 31.41 H new ATOM 0 HZ2 TRP A 16 -2.300 -1.335 -2.670 1.00 52.23 H new ATOM 0 HZ3 TRP A 16 -0.171 -2.989 0.651 1.00 23.15 H new ATOM 0 HH2 TRP A 16 -2.135 -1.825 -0.269 1.00 10.24 H new ATOM 223 N GLU A 17 2.218 -6.482 -5.329 1.00 53.12 N ATOM 224 CA GLU A 17 1.318 -7.169 -6.248 1.00 50.44 C ATOM 225 C GLU A 17 1.289 -8.668 -5.964 1.00 3.35 C ATOM 226 O GLU A 17 0.460 -9.399 -6.505 1.00 41.32 O ATOM 227 CB GLU A 17 1.747 -6.922 -7.696 1.00 43.12 C ATOM 228 CG GLU A 17 1.592 -5.476 -8.139 1.00 4.02 C ATOM 229 CD GLU A 17 1.817 -5.294 -9.627 1.00 65.14 C ATOM 230 OE1 GLU A 17 2.928 -5.612 -10.101 1.00 64.03 O ATOM 231 OE2 GLU A 17 0.884 -4.836 -10.317 1.00 52.44 O ATOM 0 H GLU A 17 3.172 -6.373 -5.674 1.00 53.12 H new ATOM 0 HA GLU A 17 0.315 -6.770 -6.100 1.00 50.44 H new ATOM 0 HB2 GLU A 17 2.789 -7.219 -7.813 1.00 43.12 H new ATOM 0 HB3 GLU A 17 1.158 -7.560 -8.355 1.00 43.12 H new ATOM 0 HG2 GLU A 17 0.592 -5.126 -7.881 1.00 4.02 H new ATOM 0 HG3 GLU A 17 2.299 -4.854 -7.590 1.00 4.02 H new ATOM 238 N LYS A 18 2.202 -9.119 -5.110 1.00 51.22 N ATOM 239 CA LYS A 18 2.283 -10.530 -4.751 1.00 51.01 C ATOM 240 C LYS A 18 1.220 -10.890 -3.718 1.00 24.30 C ATOM 241 O LYS A 18 0.929 -12.067 -3.497 1.00 44.22 O ATOM 242 CB LYS A 18 3.674 -10.859 -4.203 1.00 60.53 C ATOM 243 CG LYS A 18 3.866 -12.331 -3.879 1.00 43.32 C ATOM 244 CD LYS A 18 5.324 -12.652 -3.593 1.00 13.12 C ATOM 245 CE LYS A 18 6.185 -12.490 -4.837 1.00 15.25 C ATOM 246 NZ LYS A 18 7.513 -13.146 -4.681 1.00 3.44 N ATOM 0 H LYS A 18 2.896 -8.527 -4.654 1.00 51.22 H new ATOM 0 HA LYS A 18 2.105 -11.119 -5.651 1.00 51.01 H new ATOM 0 HB2 LYS A 18 4.424 -10.555 -4.933 1.00 60.53 H new ATOM 0 HB3 LYS A 18 3.849 -10.271 -3.302 1.00 60.53 H new ATOM 0 HG2 LYS A 18 3.257 -12.597 -3.015 1.00 43.32 H new ATOM 0 HG3 LYS A 18 3.516 -12.937 -4.714 1.00 43.32 H new ATOM 0 HD2 LYS A 18 5.694 -11.996 -2.805 1.00 13.12 H new ATOM 0 HD3 LYS A 18 5.407 -13.674 -3.222 1.00 13.12 H new ATOM 0 HE2 LYS A 18 5.667 -12.918 -5.695 1.00 15.25 H new ATOM 0 HE3 LYS A 18 6.326 -11.429 -5.046 1.00 15.25 H new ATOM 0 HZ1 LYS A 18 8.070 -13.013 -5.549 1.00 3.44 H new ATOM 0 HZ2 LYS A 18 8.018 -12.721 -3.877 1.00 3.44 H new ATOM 0 HZ3 LYS A 18 7.380 -14.163 -4.507 1.00 3.44 H new ATOM 260 N ILE A 19 0.643 -9.872 -3.090 1.00 31.05 N ATOM 261 CA ILE A 19 -0.389 -10.083 -2.082 1.00 54.50 C ATOM 262 C ILE A 19 -1.769 -10.186 -2.722 1.00 52.54 C ATOM 263 O ILE A 19 -2.079 -9.466 -3.673 1.00 40.14 O ATOM 264 CB ILE A 19 -0.402 -8.946 -1.043 1.00 44.02 C ATOM 265 CG1 ILE A 19 0.943 -8.875 -0.317 1.00 4.21 C ATOM 266 CG2 ILE A 19 -1.536 -9.149 -0.050 1.00 23.33 C ATOM 267 CD1 ILE A 19 1.220 -7.527 0.312 1.00 13.22 C ATOM 0 H ILE A 19 0.872 -8.893 -3.261 1.00 31.05 H new ATOM 0 HA ILE A 19 -0.152 -11.021 -1.580 1.00 54.50 H new ATOM 0 HB ILE A 19 -0.564 -8.001 -1.561 1.00 44.02 H new ATOM 0 HG12 ILE A 19 0.969 -9.641 0.458 1.00 4.21 H new ATOM 0 HG13 ILE A 19 1.740 -9.108 -1.023 1.00 4.21 H new ATOM 0 HG21 ILE A 19 -1.532 -8.338 0.678 1.00 23.33 H new ATOM 0 HG22 ILE A 19 -2.488 -9.155 -0.581 1.00 23.33 H new ATOM 0 HG23 ILE A 19 -1.402 -10.100 0.466 1.00 23.33 H new ATOM 0 HD11 ILE A 19 2.190 -7.550 0.809 1.00 13.22 H new ATOM 0 HD12 ILE A 19 1.227 -6.759 -0.461 1.00 13.22 H new ATOM 0 HD13 ILE A 19 0.443 -7.300 1.042 1.00 13.22 H new ATOM 279 N ARG A 20 -2.596 -11.083 -2.195 1.00 5.34 N ATOM 280 CA ARG A 20 -3.944 -11.279 -2.714 1.00 64.13 C ATOM 281 C ARG A 20 -4.962 -10.498 -1.891 1.00 13.32 C ATOM 282 O ARG A 20 -4.758 -10.252 -0.701 1.00 54.44 O ATOM 283 CB ARG A 20 -4.302 -12.767 -2.712 1.00 5.32 C ATOM 284 CG ARG A 20 -3.462 -13.597 -3.667 1.00 62.45 C ATOM 285 CD ARG A 20 -3.633 -15.087 -3.410 1.00 10.33 C ATOM 286 NE ARG A 20 -2.455 -15.851 -3.810 1.00 42.42 N ATOM 287 CZ ARG A 20 -2.207 -17.089 -3.398 1.00 65.02 C ATOM 288 NH1 ARG A 20 -3.050 -17.699 -2.577 1.00 64.15 N ATOM 289 NH2 ARG A 20 -1.112 -17.719 -3.807 1.00 12.03 N ATOM 0 H ARG A 20 -2.356 -11.686 -1.408 1.00 5.34 H new ATOM 0 HA ARG A 20 -3.970 -10.907 -3.738 1.00 64.13 H new ATOM 0 HB2 ARG A 20 -4.183 -13.159 -1.702 1.00 5.32 H new ATOM 0 HB3 ARG A 20 -5.354 -12.879 -2.975 1.00 5.32 H new ATOM 0 HG2 ARG A 20 -3.746 -13.369 -4.695 1.00 62.45 H new ATOM 0 HG3 ARG A 20 -2.412 -13.326 -3.559 1.00 62.45 H new ATOM 0 HD2 ARG A 20 -3.829 -15.252 -2.351 1.00 10.33 H new ATOM 0 HD3 ARG A 20 -4.503 -15.451 -3.956 1.00 10.33 H new ATOM 0 HE ARG A 20 -1.786 -15.410 -4.441 1.00 42.42 H new ATOM 0 HH11 ARG A 20 -3.892 -17.218 -2.260 1.00 64.15 H new ATOM 0 HH12 ARG A 20 -2.857 -18.650 -2.262 1.00 64.15 H new ATOM 0 HH21 ARG A 20 -0.461 -17.252 -4.438 1.00 12.03 H new ATOM 0 HH22 ARG A 20 -0.922 -18.670 -3.490 1.00 12.03 H new ATOM 303 N LEU A 21 -6.060 -10.110 -2.532 1.00 2.33 N ATOM 304 CA LEU A 21 -7.112 -9.355 -1.859 1.00 34.32 C ATOM 305 C LEU A 21 -8.024 -10.284 -1.062 1.00 51.03 C ATOM 306 O LEU A 21 -8.455 -9.949 0.040 1.00 31.04 O ATOM 307 CB LEU A 21 -7.935 -8.567 -2.880 1.00 64.32 C ATOM 308 CG LEU A 21 -7.174 -7.511 -3.682 1.00 2.00 C ATOM 309 CD1 LEU A 21 -7.892 -7.214 -4.990 1.00 72.22 C ATOM 310 CD2 LEU A 21 -7.006 -6.239 -2.864 1.00 62.40 C ATOM 0 H LEU A 21 -6.245 -10.306 -3.516 1.00 2.33 H new ATOM 0 HA LEU A 21 -6.639 -8.658 -1.167 1.00 34.32 H new ATOM 0 HB2 LEU A 21 -8.382 -9.273 -3.579 1.00 64.32 H new ATOM 0 HB3 LEU A 21 -8.754 -8.076 -2.355 1.00 64.32 H new ATOM 0 HG LEU A 21 -6.184 -7.903 -3.915 1.00 2.00 H new ATOM 0 HD11 LEU A 21 -7.336 -6.460 -5.547 1.00 72.22 H new ATOM 0 HD12 LEU A 21 -7.961 -8.126 -5.583 1.00 72.22 H new ATOM 0 HD13 LEU A 21 -8.895 -6.842 -4.778 1.00 72.22 H new ATOM 0 HD21 LEU A 21 -6.462 -5.498 -3.450 1.00 62.40 H new ATOM 0 HD22 LEU A 21 -7.987 -5.844 -2.600 1.00 62.40 H new ATOM 0 HD23 LEU A 21 -6.448 -6.462 -1.955 1.00 62.40 H new ATOM 322 N ARG A 22 -8.311 -11.452 -1.629 1.00 13.32 N ATOM 323 CA ARG A 22 -9.171 -12.428 -0.971 1.00 65.33 C ATOM 324 C ARG A 22 -8.359 -13.623 -0.481 1.00 62.52 C ATOM 325 O ARG A 22 -7.224 -13.850 -0.903 1.00 3.25 O ATOM 326 CB ARG A 22 -10.267 -12.901 -1.928 1.00 13.03 C ATOM 327 CG ARG A 22 -11.581 -12.156 -1.763 1.00 11.24 C ATOM 328 CD ARG A 22 -12.769 -13.037 -2.118 1.00 71.01 C ATOM 329 NE ARG A 22 -14.029 -12.298 -2.082 1.00 43.31 N ATOM 330 CZ ARG A 22 -15.223 -12.879 -2.107 1.00 62.52 C ATOM 331 NH1 ARG A 22 -15.319 -14.200 -2.167 1.00 61.43 N ATOM 332 NH2 ARG A 22 -16.323 -12.140 -2.072 1.00 1.54 N ATOM 0 H ARG A 22 -7.961 -11.745 -2.541 1.00 13.32 H new ATOM 0 HA ARG A 22 -9.634 -11.946 -0.110 1.00 65.33 H new ATOM 0 HB2 ARG A 22 -9.918 -12.783 -2.954 1.00 13.03 H new ATOM 0 HB3 ARG A 22 -10.440 -13.966 -1.771 1.00 13.03 H new ATOM 0 HG2 ARG A 22 -11.678 -11.810 -0.734 1.00 11.24 H new ATOM 0 HG3 ARG A 22 -11.581 -11.270 -2.398 1.00 11.24 H new ATOM 0 HD2 ARG A 22 -12.624 -13.458 -3.113 1.00 71.01 H new ATOM 0 HD3 ARG A 22 -12.820 -13.874 -1.422 1.00 71.01 H new ATOM 0 HE ARG A 22 -13.989 -11.280 -2.035 1.00 43.31 H new ATOM 0 HH11 ARG A 22 -14.475 -14.772 -2.194 1.00 61.43 H new ATOM 0 HH12 ARG A 22 -16.237 -14.644 -2.186 1.00 61.43 H new ATOM 0 HH21 ARG A 22 -16.253 -11.123 -2.026 1.00 1.54 H new ATOM 0 HH22 ARG A 22 -17.239 -12.588 -2.091 1.00 1.54 H new ATOM 346 N PRO A 23 -8.952 -14.408 0.431 1.00 22.12 N ATOM 347 CA PRO A 23 -8.302 -15.593 0.999 1.00 2.30 C ATOM 348 C PRO A 23 -8.159 -16.719 -0.019 1.00 61.00 C ATOM 349 O PRO A 23 -7.088 -17.309 -0.161 1.00 61.01 O ATOM 350 CB PRO A 23 -9.247 -16.010 2.127 1.00 14.24 C ATOM 351 CG PRO A 23 -10.578 -15.475 1.724 1.00 4.43 C ATOM 352 CD PRO A 23 -10.302 -14.198 0.979 1.00 73.32 C ATOM 0 HA PRO A 23 -7.286 -15.380 1.332 1.00 2.30 H new ATOM 0 HB2 PRO A 23 -9.274 -17.094 2.240 1.00 14.24 H new ATOM 0 HB3 PRO A 23 -8.928 -15.597 3.084 1.00 14.24 H new ATOM 0 HG2 PRO A 23 -11.110 -16.187 1.094 1.00 4.43 H new ATOM 0 HG3 PRO A 23 -11.205 -15.290 2.596 1.00 4.43 H new ATOM 0 HD2 PRO A 23 -11.034 -14.027 0.190 1.00 73.32 H new ATOM 0 HD3 PRO A 23 -10.337 -13.332 1.640 1.00 73.32 H new ATOM 360 N GLY A 24 -9.245 -17.012 -0.728 1.00 13.23 N ATOM 361 CA GLY A 24 -9.218 -18.066 -1.725 1.00 31.20 C ATOM 362 C GLY A 24 -9.548 -17.559 -3.114 1.00 65.21 C ATOM 363 O GLY A 24 -10.199 -18.250 -3.897 1.00 1.12 O ATOM 0 H GLY A 24 -10.143 -16.538 -0.630 1.00 13.23 H new ATOM 0 HA2 GLY A 24 -8.230 -18.527 -1.735 1.00 31.20 H new ATOM 0 HA3 GLY A 24 -9.930 -18.843 -1.447 1.00 31.20 H new ATOM 367 N GLY A 25 -9.097 -16.346 -3.422 1.00 61.11 N ATOM 368 CA GLY A 25 -9.358 -15.767 -4.727 1.00 30.33 C ATOM 369 C GLY A 25 -8.105 -15.650 -5.571 1.00 41.34 C ATOM 370 O GLY A 25 -7.071 -16.235 -5.247 1.00 73.21 O ATOM 0 H GLY A 25 -8.556 -15.755 -2.791 1.00 61.11 H new ATOM 0 HA2 GLY A 25 -10.090 -16.380 -5.253 1.00 30.33 H new ATOM 0 HA3 GLY A 25 -9.801 -14.779 -4.601 1.00 30.33 H new ATOM 374 N LYS A 26 -8.196 -14.892 -6.659 1.00 64.01 N ATOM 375 CA LYS A 26 -7.060 -14.700 -7.554 1.00 22.00 C ATOM 376 C LYS A 26 -6.746 -13.216 -7.722 1.00 61.34 C ATOM 377 O LYS A 26 -5.819 -12.846 -8.443 1.00 11.04 O ATOM 378 CB LYS A 26 -7.349 -15.330 -8.919 1.00 4.34 C ATOM 379 CG LYS A 26 -6.156 -16.057 -9.516 1.00 41.03 C ATOM 380 CD LYS A 26 -6.544 -16.826 -10.769 1.00 1.54 C ATOM 381 CE LYS A 26 -6.996 -15.891 -11.879 1.00 62.24 C ATOM 382 NZ LYS A 26 -6.258 -16.140 -13.149 1.00 32.14 N ATOM 0 H LYS A 26 -9.044 -14.401 -6.942 1.00 64.01 H new ATOM 0 HA LYS A 26 -6.192 -15.189 -7.112 1.00 22.00 H new ATOM 0 HB2 LYS A 26 -8.178 -16.030 -8.819 1.00 4.34 H new ATOM 0 HB3 LYS A 26 -7.672 -14.550 -9.609 1.00 4.34 H new ATOM 0 HG2 LYS A 26 -5.373 -15.338 -9.757 1.00 41.03 H new ATOM 0 HG3 LYS A 26 -5.741 -16.745 -8.779 1.00 41.03 H new ATOM 0 HD2 LYS A 26 -5.695 -17.416 -11.113 1.00 1.54 H new ATOM 0 HD3 LYS A 26 -7.345 -17.527 -10.534 1.00 1.54 H new ATOM 0 HE2 LYS A 26 -8.065 -16.019 -12.049 1.00 62.24 H new ATOM 0 HE3 LYS A 26 -6.844 -14.858 -11.568 1.00 62.24 H new ATOM 0 HZ1 LYS A 26 -6.595 -15.483 -13.881 1.00 32.14 H new ATOM 0 HZ2 LYS A 26 -5.240 -15.993 -12.994 1.00 32.14 H new ATOM 0 HZ3 LYS A 26 -6.423 -17.119 -13.460 1.00 32.14 H new ATOM 396 N LYS A 27 -7.523 -12.372 -7.053 1.00 22.33 N ATOM 397 CA LYS A 27 -7.326 -10.929 -7.126 1.00 21.51 C ATOM 398 C LYS A 27 -6.200 -10.486 -6.197 1.00 42.52 C ATOM 399 O LYS A 27 -6.029 -11.034 -5.109 1.00 22.34 O ATOM 400 CB LYS A 27 -8.620 -10.198 -6.761 1.00 24.44 C ATOM 401 CG LYS A 27 -9.856 -10.781 -7.424 1.00 1.22 C ATOM 402 CD LYS A 27 -11.122 -10.088 -6.949 1.00 35.31 C ATOM 403 CE LYS A 27 -12.334 -10.529 -7.755 1.00 61.05 C ATOM 404 NZ LYS A 27 -12.867 -11.838 -7.285 1.00 53.41 N ATOM 0 H LYS A 27 -8.296 -12.662 -6.454 1.00 22.33 H new ATOM 0 HA LYS A 27 -7.049 -10.676 -8.150 1.00 21.51 H new ATOM 0 HB2 LYS A 27 -8.751 -10.226 -5.679 1.00 24.44 H new ATOM 0 HB3 LYS A 27 -8.527 -9.149 -7.043 1.00 24.44 H new ATOM 0 HG2 LYS A 27 -9.770 -10.683 -8.506 1.00 1.22 H new ATOM 0 HG3 LYS A 27 -9.919 -11.847 -7.205 1.00 1.22 H new ATOM 0 HD2 LYS A 27 -11.285 -10.309 -5.894 1.00 35.31 H new ATOM 0 HD3 LYS A 27 -11.001 -9.008 -7.034 1.00 35.31 H new ATOM 0 HE2 LYS A 27 -13.114 -9.772 -7.681 1.00 61.05 H new ATOM 0 HE3 LYS A 27 -12.062 -10.605 -8.808 1.00 61.05 H new ATOM 0 HZ1 LYS A 27 -13.692 -12.103 -7.860 1.00 53.41 H new ATOM 0 HZ2 LYS A 27 -12.131 -12.567 -7.379 1.00 53.41 H new ATOM 0 HZ3 LYS A 27 -13.151 -11.759 -6.288 1.00 53.41 H new ATOM 418 N GLN A 28 -5.435 -9.489 -6.634 1.00 35.41 N ATOM 419 CA GLN A 28 -4.327 -8.973 -5.840 1.00 61.42 C ATOM 420 C GLN A 28 -4.355 -7.449 -5.794 1.00 3.04 C ATOM 421 O GLN A 28 -5.281 -6.820 -6.304 1.00 52.44 O ATOM 422 CB GLN A 28 -2.994 -9.454 -6.415 1.00 60.01 C ATOM 423 CG GLN A 28 -2.772 -10.951 -6.268 1.00 20.31 C ATOM 424 CD GLN A 28 -2.256 -11.593 -7.541 1.00 3.50 C ATOM 425 OE1 GLN A 28 -1.335 -11.080 -8.178 1.00 40.13 O ATOM 426 NE2 GLN A 28 -2.846 -12.720 -7.918 1.00 54.11 N ATOM 0 H GLN A 28 -5.563 -9.024 -7.533 1.00 35.41 H new ATOM 0 HA GLN A 28 -4.433 -9.351 -4.823 1.00 61.42 H new ATOM 0 HB2 GLN A 28 -2.947 -9.190 -7.472 1.00 60.01 H new ATOM 0 HB3 GLN A 28 -2.181 -8.924 -5.918 1.00 60.01 H new ATOM 0 HG2 GLN A 28 -2.062 -11.131 -5.461 1.00 20.31 H new ATOM 0 HG3 GLN A 28 -3.709 -11.427 -5.980 1.00 20.31 H new ATOM 0 HE21 GLN A 28 -3.606 -13.110 -7.360 1.00 54.11 H new ATOM 0 HE22 GLN A 28 -2.540 -13.197 -8.766 1.00 54.11 H new ATOM 435 N TYR A 29 -3.333 -6.863 -5.180 1.00 2.14 N ATOM 436 CA TYR A 29 -3.242 -5.412 -5.064 1.00 40.02 C ATOM 437 C TYR A 29 -2.463 -4.820 -6.235 1.00 21.20 C ATOM 438 O TYR A 29 -1.560 -5.455 -6.780 1.00 64.51 O ATOM 439 CB TYR A 29 -2.571 -5.026 -3.744 1.00 31.11 C ATOM 440 CG TYR A 29 -3.482 -5.151 -2.544 1.00 1.13 C ATOM 441 CD1 TYR A 29 -4.334 -4.114 -2.183 1.00 63.41 C ATOM 442 CD2 TYR A 29 -3.489 -6.304 -1.769 1.00 75.14 C ATOM 443 CE1 TYR A 29 -5.167 -4.223 -1.086 1.00 31.03 C ATOM 444 CE2 TYR A 29 -4.320 -6.422 -0.672 1.00 22.23 C ATOM 445 CZ TYR A 29 -5.157 -5.379 -0.334 1.00 22.40 C ATOM 446 OH TYR A 29 -5.985 -5.493 0.759 1.00 10.50 O ATOM 0 H TYR A 29 -2.556 -7.370 -4.755 1.00 2.14 H new ATOM 0 HA TYR A 29 -4.254 -5.007 -5.082 1.00 40.02 H new ATOM 0 HB2 TYR A 29 -1.696 -5.657 -3.593 1.00 31.11 H new ATOM 0 HB3 TYR A 29 -2.215 -3.998 -3.814 1.00 31.11 H new ATOM 0 HD1 TYR A 29 -4.345 -3.207 -2.770 1.00 63.41 H new ATOM 0 HD2 TYR A 29 -2.833 -7.122 -2.029 1.00 75.14 H new ATOM 0 HE1 TYR A 29 -5.822 -3.407 -0.819 1.00 31.03 H new ATOM 0 HE2 TYR A 29 -4.314 -7.326 -0.082 1.00 22.23 H new ATOM 0 HH TYR A 29 -6.293 -6.420 0.841 1.00 10.50 H new ATOM 456 N LYS A 30 -2.819 -3.599 -6.617 1.00 32.10 N ATOM 457 CA LYS A 30 -2.155 -2.917 -7.721 1.00 72.44 C ATOM 458 C LYS A 30 -1.990 -1.430 -7.423 1.00 74.33 C ATOM 459 O LYS A 30 -2.559 -0.913 -6.461 1.00 61.23 O ATOM 460 CB LYS A 30 -2.951 -3.104 -9.015 1.00 21.31 C ATOM 461 CG LYS A 30 -2.246 -3.974 -10.042 1.00 33.22 C ATOM 462 CD LYS A 30 -3.002 -4.003 -11.360 1.00 2.43 C ATOM 463 CE LYS A 30 -3.618 -5.369 -11.620 1.00 10.22 C ATOM 464 NZ LYS A 30 -4.968 -5.495 -11.003 1.00 23.14 N ATOM 0 H LYS A 30 -3.565 -3.060 -6.177 1.00 32.10 H new ATOM 0 HA LYS A 30 -1.165 -3.356 -7.844 1.00 72.44 H new ATOM 0 HB2 LYS A 30 -3.917 -3.549 -8.776 1.00 21.31 H new ATOM 0 HB3 LYS A 30 -3.150 -2.126 -9.454 1.00 21.31 H new ATOM 0 HG2 LYS A 30 -1.237 -3.597 -10.208 1.00 33.22 H new ATOM 0 HG3 LYS A 30 -2.148 -4.988 -9.655 1.00 33.22 H new ATOM 0 HD2 LYS A 30 -3.786 -3.246 -11.348 1.00 2.43 H new ATOM 0 HD3 LYS A 30 -2.325 -3.747 -12.175 1.00 2.43 H new ATOM 0 HE2 LYS A 30 -3.693 -5.535 -12.695 1.00 10.22 H new ATOM 0 HE3 LYS A 30 -2.963 -6.144 -11.222 1.00 10.22 H new ATOM 0 HZ1 LYS A 30 -5.354 -6.440 -11.203 1.00 23.14 H new ATOM 0 HZ2 LYS A 30 -4.893 -5.362 -9.974 1.00 23.14 H new ATOM 0 HZ3 LYS A 30 -5.600 -4.771 -11.401 1.00 23.14 H new ATOM 478 N LEU A 31 -1.210 -0.748 -8.254 1.00 61.34 N ATOM 479 CA LEU A 31 -0.971 0.680 -8.080 1.00 54.33 C ATOM 480 C LEU A 31 -2.281 1.425 -7.842 1.00 42.42 C ATOM 481 O LEU A 31 -2.317 2.426 -7.125 1.00 44.20 O ATOM 482 CB LEU A 31 -0.262 1.252 -9.310 1.00 13.24 C ATOM 483 CG LEU A 31 0.869 2.242 -9.032 1.00 2.04 C ATOM 484 CD1 LEU A 31 2.071 1.526 -8.436 1.00 31.44 C ATOM 485 CD2 LEU A 31 1.261 2.975 -10.306 1.00 42.45 C ATOM 0 H LEU A 31 -0.732 -1.161 -9.055 1.00 61.34 H new ATOM 0 HA LEU A 31 -0.334 0.814 -7.206 1.00 54.33 H new ATOM 0 HB2 LEU A 31 0.142 0.422 -9.890 1.00 13.24 H new ATOM 0 HB3 LEU A 31 -1.005 1.746 -9.936 1.00 13.24 H new ATOM 0 HG LEU A 31 0.514 2.976 -8.309 1.00 2.04 H new ATOM 0 HD11 LEU A 31 2.866 2.247 -8.245 1.00 31.44 H new ATOM 0 HD12 LEU A 31 1.782 1.048 -7.500 1.00 31.44 H new ATOM 0 HD13 LEU A 31 2.428 0.770 -9.135 1.00 31.44 H new ATOM 0 HD21 LEU A 31 2.067 3.676 -10.089 1.00 42.45 H new ATOM 0 HD22 LEU A 31 1.597 2.254 -11.052 1.00 42.45 H new ATOM 0 HD23 LEU A 31 0.400 3.521 -10.691 1.00 42.45 H new ATOM 497 N LYS A 32 -3.356 0.931 -8.446 1.00 24.22 N ATOM 498 CA LYS A 32 -4.669 1.547 -8.297 1.00 62.01 C ATOM 499 C LYS A 32 -4.954 1.874 -6.835 1.00 60.00 C ATOM 500 O LYS A 32 -5.531 2.916 -6.522 1.00 74.44 O ATOM 501 CB LYS A 32 -5.756 0.618 -8.844 1.00 44.12 C ATOM 502 CG LYS A 32 -6.209 0.975 -10.249 1.00 53.14 C ATOM 503 CD LYS A 32 -7.024 -0.146 -10.873 1.00 4.30 C ATOM 504 CE LYS A 32 -8.429 0.315 -11.224 1.00 73.12 C ATOM 505 NZ LYS A 32 -9.423 -0.786 -11.094 1.00 51.34 N ATOM 0 H LYS A 32 -3.344 0.105 -9.044 1.00 24.22 H new ATOM 0 HA LYS A 32 -4.673 2.476 -8.866 1.00 62.01 H new ATOM 0 HB2 LYS A 32 -5.383 -0.406 -8.841 1.00 44.12 H new ATOM 0 HB3 LYS A 32 -6.616 0.646 -8.176 1.00 44.12 H new ATOM 0 HG2 LYS A 32 -6.805 1.887 -10.219 1.00 53.14 H new ATOM 0 HG3 LYS A 32 -5.339 1.183 -10.871 1.00 53.14 H new ATOM 0 HD2 LYS A 32 -6.523 -0.505 -11.772 1.00 4.30 H new ATOM 0 HD3 LYS A 32 -7.078 -0.987 -10.181 1.00 4.30 H new ATOM 0 HE2 LYS A 32 -8.714 1.140 -10.572 1.00 73.12 H new ATOM 0 HE3 LYS A 32 -8.441 0.697 -12.245 1.00 73.12 H new ATOM 0 HZ1 LYS A 32 -10.369 -0.431 -11.342 1.00 51.34 H new ATOM 0 HZ2 LYS A 32 -9.166 -1.563 -11.735 1.00 51.34 H new ATOM 0 HZ3 LYS A 32 -9.430 -1.134 -10.114 1.00 51.34 H new ATOM 519 N HIS A 33 -4.545 0.977 -5.942 1.00 2.45 N ATOM 520 CA HIS A 33 -4.755 1.172 -4.511 1.00 43.13 C ATOM 521 C HIS A 33 -3.708 2.122 -3.934 1.00 32.44 C ATOM 522 O HIS A 33 -4.109 3.024 -3.197 1.00 65.42 O ATOM 523 CB HIS A 33 -4.701 -0.170 -3.779 1.00 42.52 C ATOM 524 CG HIS A 33 -5.541 -1.233 -4.417 1.00 53.01 C ATOM 525 ND1 HIS A 33 -5.007 -2.347 -5.030 1.00 44.54 N ATOM 526 CD2 HIS A 33 -6.884 -1.349 -4.534 1.00 41.12 C ATOM 527 CE1 HIS A 33 -5.986 -3.101 -5.497 1.00 54.41 C ATOM 528 NE2 HIS A 33 -7.136 -2.518 -5.209 1.00 1.13 N ATOM 0 H HIS A 33 -4.067 0.109 -6.184 1.00 2.45 H new ATOM 0 HA HIS A 33 -5.741 1.615 -4.370 1.00 43.13 H new ATOM 0 HB2 HIS A 33 -3.667 -0.511 -3.738 1.00 42.52 H new ATOM 0 HB3 HIS A 33 -5.030 -0.027 -2.750 1.00 42.52 H new ATOM 0 HD2 HIS A 33 -7.621 -0.651 -4.165 1.00 41.12 H new ATOM 0 HE1 HIS A 33 -5.867 -4.036 -6.025 1.00 54.41 H new ATOM 0 HE2 HIS A 33 -8.060 -2.877 -5.449 1.00 1.13 H new ATOM 536 N ILE A 34 -2.426 1.950 -4.237 1.00 24.10 N ATOM 537 CA ILE A 34 -1.392 2.832 -3.710 1.00 44.14 C ATOM 538 C ILE A 34 -1.723 4.294 -3.988 1.00 71.32 C ATOM 539 O ILE A 34 -1.315 5.187 -3.244 1.00 75.54 O ATOM 540 CB ILE A 34 -0.013 2.505 -4.313 1.00 0.41 C ATOM 541 CG1 ILE A 34 0.373 1.057 -4.005 1.00 20.33 C ATOM 542 CG2 ILE A 34 1.039 3.465 -3.777 1.00 63.20 C ATOM 543 CD1 ILE A 34 1.410 0.493 -4.950 1.00 4.33 C ATOM 0 H ILE A 34 -2.078 1.208 -4.845 1.00 24.10 H new ATOM 0 HA ILE A 34 -1.356 2.669 -2.633 1.00 44.14 H new ATOM 0 HB ILE A 34 -0.068 2.623 -5.395 1.00 0.41 H new ATOM 0 HG12 ILE A 34 0.754 1.000 -2.985 1.00 20.33 H new ATOM 0 HG13 ILE A 34 -0.521 0.435 -4.047 1.00 20.33 H new ATOM 0 HG21 ILE A 34 2.009 3.222 -4.212 1.00 63.20 H new ATOM 0 HG22 ILE A 34 0.768 4.487 -4.043 1.00 63.20 H new ATOM 0 HG23 ILE A 34 1.095 3.375 -2.692 1.00 63.20 H new ATOM 0 HD11 ILE A 34 1.635 -0.537 -4.671 1.00 4.33 H new ATOM 0 HD12 ILE A 34 1.025 0.517 -5.969 1.00 4.33 H new ATOM 0 HD13 ILE A 34 2.319 1.091 -4.892 1.00 4.33 H new ATOM 555 N VAL A 35 -2.466 4.532 -5.065 1.00 43.21 N ATOM 556 CA VAL A 35 -2.854 5.886 -5.441 1.00 2.14 C ATOM 557 C VAL A 35 -4.132 6.310 -4.725 1.00 42.14 C ATOM 558 O VAL A 35 -4.222 7.419 -4.198 1.00 24.45 O ATOM 559 CB VAL A 35 -3.066 6.008 -6.962 1.00 12.12 C ATOM 560 CG1 VAL A 35 -3.600 7.386 -7.319 1.00 3.55 C ATOM 561 CG2 VAL A 35 -1.770 5.721 -7.704 1.00 64.24 C ATOM 0 H VAL A 35 -2.811 3.805 -5.692 1.00 43.21 H new ATOM 0 HA VAL A 35 -2.038 6.544 -5.142 1.00 2.14 H new ATOM 0 HB VAL A 35 -3.806 5.268 -7.268 1.00 12.12 H new ATOM 0 HG11 VAL A 35 -3.743 7.453 -8.398 1.00 3.55 H new ATOM 0 HG12 VAL A 35 -4.553 7.548 -6.816 1.00 3.55 H new ATOM 0 HG13 VAL A 35 -2.887 8.146 -7.000 1.00 3.55 H new ATOM 0 HG21 VAL A 35 -1.937 5.811 -8.777 1.00 64.24 H new ATOM 0 HG22 VAL A 35 -1.007 6.436 -7.394 1.00 64.24 H new ATOM 0 HG23 VAL A 35 -1.435 4.710 -7.473 1.00 64.24 H new ATOM 571 N TRP A 36 -5.118 5.420 -4.711 1.00 51.14 N ATOM 572 CA TRP A 36 -6.392 5.701 -4.059 1.00 42.35 C ATOM 573 C TRP A 36 -6.201 5.920 -2.563 1.00 13.44 C ATOM 574 O TRP A 36 -6.879 6.749 -1.956 1.00 72.45 O ATOM 575 CB TRP A 36 -7.375 4.554 -4.300 1.00 3.43 C ATOM 576 CG TRP A 36 -8.652 4.696 -3.528 1.00 23.44 C ATOM 577 CD1 TRP A 36 -9.781 5.353 -3.924 1.00 21.43 C ATOM 578 CD2 TRP A 36 -8.928 4.168 -2.225 1.00 12.11 C ATOM 579 NE1 TRP A 36 -10.743 5.266 -2.946 1.00 62.13 N ATOM 580 CE2 TRP A 36 -10.245 4.544 -1.895 1.00 20.00 C ATOM 581 CE3 TRP A 36 -8.193 3.413 -1.307 1.00 1.02 C ATOM 582 CZ2 TRP A 36 -10.838 4.191 -0.685 1.00 73.25 C ATOM 583 CZ3 TRP A 36 -8.784 3.064 -0.107 1.00 65.13 C ATOM 584 CH2 TRP A 36 -10.096 3.452 0.194 1.00 23.01 C ATOM 0 H TRP A 36 -5.060 4.498 -5.144 1.00 51.14 H new ATOM 0 HA TRP A 36 -6.800 6.615 -4.491 1.00 42.35 H new ATOM 0 HB2 TRP A 36 -7.606 4.500 -5.364 1.00 3.43 H new ATOM 0 HB3 TRP A 36 -6.897 3.612 -4.029 1.00 3.43 H new ATOM 0 HD1 TRP A 36 -9.901 5.866 -4.867 1.00 21.43 H new ATOM 0 HE1 TRP A 36 -11.677 5.673 -2.995 1.00 62.13 H new ATOM 0 HE3 TRP A 36 -7.182 3.108 -1.531 1.00 1.02 H new ATOM 0 HZ2 TRP A 36 -11.849 4.491 -0.449 1.00 73.25 H new ATOM 0 HZ3 TRP A 36 -8.225 2.482 0.611 1.00 65.13 H new ATOM 0 HH2 TRP A 36 -10.530 3.162 1.139 1.00 23.01 H new ATOM 595 N ALA A 37 -5.275 5.172 -1.973 1.00 71.22 N ATOM 596 CA ALA A 37 -4.995 5.285 -0.547 1.00 42.45 C ATOM 597 C ALA A 37 -4.382 6.642 -0.216 1.00 21.43 C ATOM 598 O ALA A 37 -4.914 7.391 0.604 1.00 73.34 O ATOM 599 CB ALA A 37 -4.070 4.163 -0.100 1.00 53.43 C ATOM 0 H ALA A 37 -4.705 4.481 -2.461 1.00 71.22 H new ATOM 0 HA ALA A 37 -5.938 5.199 -0.008 1.00 42.45 H new ATOM 0 HB1 ALA A 37 -3.870 4.260 0.967 1.00 53.43 H new ATOM 0 HB2 ALA A 37 -4.545 3.201 -0.294 1.00 53.43 H new ATOM 0 HB3 ALA A 37 -3.132 4.223 -0.652 1.00 53.43 H new ATOM 605 N SER A 38 -3.260 6.953 -0.856 1.00 73.52 N ATOM 606 CA SER A 38 -2.572 8.217 -0.626 1.00 35.14 C ATOM 607 C SER A 38 -3.527 9.395 -0.805 1.00 25.22 C ATOM 608 O SER A 38 -3.315 10.470 -0.243 1.00 70.34 O ATOM 609 CB SER A 38 -1.386 8.359 -1.581 1.00 25.24 C ATOM 610 OG SER A 38 -1.023 9.718 -1.746 1.00 1.12 O ATOM 0 H SER A 38 -2.807 6.346 -1.539 1.00 73.52 H new ATOM 0 HA SER A 38 -2.205 8.220 0.400 1.00 35.14 H new ATOM 0 HB2 SER A 38 -0.536 7.797 -1.195 1.00 25.24 H new ATOM 0 HB3 SER A 38 -1.641 7.928 -2.549 1.00 25.24 H new ATOM 0 HG SER A 38 -0.262 9.781 -2.360 1.00 1.12 H new ATOM 616 N ARG A 39 -4.576 9.183 -1.591 1.00 71.24 N ATOM 617 CA ARG A 39 -5.562 10.226 -1.846 1.00 12.24 C ATOM 618 C ARG A 39 -6.660 10.206 -0.786 1.00 11.30 C ATOM 619 O ARG A 39 -7.046 11.250 -0.259 1.00 43.15 O ATOM 620 CB ARG A 39 -6.177 10.048 -3.235 1.00 63.54 C ATOM 621 CG ARG A 39 -7.358 10.967 -3.501 1.00 41.14 C ATOM 622 CD ARG A 39 -7.588 11.161 -4.992 1.00 2.41 C ATOM 623 NE ARG A 39 -6.467 11.842 -5.634 1.00 44.34 N ATOM 624 CZ ARG A 39 -6.285 13.158 -5.595 1.00 20.14 C ATOM 625 NH1 ARG A 39 -7.146 13.930 -4.947 1.00 54.10 N ATOM 626 NH2 ARG A 39 -5.240 13.704 -6.204 1.00 35.42 N ATOM 0 H ARG A 39 -4.766 8.299 -2.063 1.00 71.24 H new ATOM 0 HA ARG A 39 -5.054 11.190 -1.802 1.00 12.24 H new ATOM 0 HB2 ARG A 39 -5.410 10.229 -3.988 1.00 63.54 H new ATOM 0 HB3 ARG A 39 -6.500 9.013 -3.350 1.00 63.54 H new ATOM 0 HG2 ARG A 39 -8.255 10.549 -3.045 1.00 41.14 H new ATOM 0 HG3 ARG A 39 -7.181 11.934 -3.030 1.00 41.14 H new ATOM 0 HD2 ARG A 39 -7.742 10.191 -5.464 1.00 2.41 H new ATOM 0 HD3 ARG A 39 -8.500 11.738 -5.146 1.00 2.41 H new ATOM 0 HE ARG A 39 -5.786 11.276 -6.140 1.00 44.34 H new ATOM 0 HH11 ARG A 39 -7.950 13.514 -4.477 1.00 54.10 H new ATOM 0 HH12 ARG A 39 -7.004 14.940 -4.918 1.00 54.10 H new ATOM 0 HH21 ARG A 39 -4.575 13.114 -6.703 1.00 35.42 H new ATOM 0 HH22 ARG A 39 -5.102 14.714 -6.173 1.00 35.42 H new ATOM 640 N GLU A 40 -7.160 9.013 -0.480 1.00 25.11 N ATOM 641 CA GLU A 40 -8.213 8.859 0.516 1.00 53.43 C ATOM 642 C GLU A 40 -7.808 9.499 1.840 1.00 4.14 C ATOM 643 O GLU A 40 -8.557 10.288 2.418 1.00 31.32 O ATOM 644 CB GLU A 40 -8.532 7.379 0.729 1.00 75.53 C ATOM 645 CG GLU A 40 -10.021 7.079 0.787 1.00 21.32 C ATOM 646 CD GLU A 40 -10.715 7.306 -0.542 1.00 21.31 C ATOM 647 OE1 GLU A 40 -10.074 7.861 -1.459 1.00 71.55 O ATOM 648 OE2 GLU A 40 -11.898 6.926 -0.665 1.00 54.50 O ATOM 0 H GLU A 40 -6.853 8.139 -0.908 1.00 25.11 H new ATOM 0 HA GLU A 40 -9.104 9.365 0.145 1.00 53.43 H new ATOM 0 HB2 GLU A 40 -8.084 6.800 -0.079 1.00 75.53 H new ATOM 0 HB3 GLU A 40 -8.066 7.045 1.656 1.00 75.53 H new ATOM 0 HG2 GLU A 40 -10.167 6.044 1.097 1.00 21.32 H new ATOM 0 HG3 GLU A 40 -10.485 7.708 1.547 1.00 21.32 H new ATOM 655 N LEU A 41 -6.617 9.153 2.317 1.00 23.43 N ATOM 656 CA LEU A 41 -6.110 9.692 3.575 1.00 13.12 C ATOM 657 C LEU A 41 -6.176 11.215 3.580 1.00 13.35 C ATOM 658 O LEU A 41 -6.528 11.827 4.588 1.00 54.34 O ATOM 659 CB LEU A 41 -4.670 9.231 3.806 1.00 0.12 C ATOM 660 CG LEU A 41 -4.476 7.736 4.058 1.00 70.34 C ATOM 661 CD1 LEU A 41 -3.003 7.416 4.263 1.00 11.25 C ATOM 662 CD2 LEU A 41 -5.294 7.286 5.259 1.00 53.23 C ATOM 0 H LEU A 41 -5.984 8.502 1.852 1.00 23.43 H new ATOM 0 HA LEU A 41 -6.739 9.317 4.383 1.00 13.12 H new ATOM 0 HB2 LEU A 41 -4.076 9.513 2.937 1.00 0.12 H new ATOM 0 HB3 LEU A 41 -4.267 9.778 4.658 1.00 0.12 H new ATOM 0 HG LEU A 41 -4.826 7.191 3.181 1.00 70.34 H new ATOM 0 HD11 LEU A 41 -2.884 6.347 4.441 1.00 11.25 H new ATOM 0 HD12 LEU A 41 -2.442 7.700 3.373 1.00 11.25 H new ATOM 0 HD13 LEU A 41 -2.626 7.971 5.122 1.00 11.25 H new ATOM 0 HD21 LEU A 41 -5.143 6.219 5.423 1.00 53.23 H new ATOM 0 HD22 LEU A 41 -4.975 7.838 6.144 1.00 53.23 H new ATOM 0 HD23 LEU A 41 -6.351 7.479 5.072 1.00 53.23 H new ATOM 674 N GLU A 42 -5.837 11.821 2.446 1.00 1.21 N ATOM 675 CA GLU A 42 -5.859 13.274 2.321 1.00 12.11 C ATOM 676 C GLU A 42 -7.246 13.826 2.637 1.00 12.13 C ATOM 677 O GLU A 42 -7.389 14.980 3.043 1.00 21.34 O ATOM 678 CB GLU A 42 -5.440 13.693 0.910 1.00 32.10 C ATOM 679 CG GLU A 42 -5.252 15.192 0.751 1.00 2.31 C ATOM 680 CD GLU A 42 -4.088 15.723 1.565 1.00 40.31 C ATOM 681 OE1 GLU A 42 -4.202 15.761 2.808 1.00 14.13 O ATOM 682 OE2 GLU A 42 -3.063 16.101 0.960 1.00 23.41 O ATOM 0 H GLU A 42 -5.544 11.329 1.602 1.00 1.21 H new ATOM 0 HA GLU A 42 -5.151 13.686 3.040 1.00 12.11 H new ATOM 0 HB2 GLU A 42 -4.509 13.189 0.652 1.00 32.10 H new ATOM 0 HB3 GLU A 42 -6.194 13.353 0.200 1.00 32.10 H new ATOM 0 HG2 GLU A 42 -5.091 15.425 -0.302 1.00 2.31 H new ATOM 0 HG3 GLU A 42 -6.166 15.703 1.054 1.00 2.31 H new ATOM 689 N ARG A 43 -8.265 12.995 2.447 1.00 64.15 N ATOM 690 CA ARG A 43 -9.641 13.400 2.709 1.00 64.31 C ATOM 691 C ARG A 43 -9.997 13.194 4.178 1.00 5.00 C ATOM 692 O ARG A 43 -10.869 13.876 4.718 1.00 63.44 O ATOM 693 CB ARG A 43 -10.605 12.608 1.824 1.00 20.01 C ATOM 694 CG ARG A 43 -12.008 13.191 1.779 1.00 0.22 C ATOM 695 CD ARG A 43 -12.607 13.096 0.384 1.00 4.22 C ATOM 696 NE ARG A 43 -14.032 13.413 0.377 1.00 2.31 N ATOM 697 CZ ARG A 43 -14.830 13.190 -0.661 1.00 21.44 C ATOM 698 NH1 ARG A 43 -14.344 12.650 -1.770 1.00 51.22 N ATOM 699 NH2 ARG A 43 -16.117 13.506 -0.590 1.00 41.34 N ATOM 0 H ARG A 43 -8.164 12.037 2.112 1.00 64.15 H new ATOM 0 HA ARG A 43 -9.732 14.461 2.476 1.00 64.31 H new ATOM 0 HB2 ARG A 43 -10.205 12.567 0.811 1.00 20.01 H new ATOM 0 HB3 ARG A 43 -10.658 11.582 2.187 1.00 20.01 H new ATOM 0 HG2 ARG A 43 -12.646 12.662 2.487 1.00 0.22 H new ATOM 0 HG3 ARG A 43 -11.980 14.234 2.094 1.00 0.22 H new ATOM 0 HD2 ARG A 43 -12.081 13.778 -0.284 1.00 4.22 H new ATOM 0 HD3 ARG A 43 -12.458 12.089 -0.007 1.00 4.22 H new ATOM 0 HE ARG A 43 -14.437 13.829 1.216 1.00 2.31 H new ATOM 0 HH11 ARG A 43 -13.356 12.405 -1.827 1.00 51.22 H new ATOM 0 HH12 ARG A 43 -14.959 12.480 -2.566 1.00 51.22 H new ATOM 0 HH21 ARG A 43 -16.494 13.921 0.262 1.00 41.34 H new ATOM 0 HH22 ARG A 43 -16.729 13.334 -1.388 1.00 41.34 H new ATOM 713 N PHE A 44 -9.317 12.249 4.820 1.00 0.24 N ATOM 714 CA PHE A 44 -9.563 11.953 6.226 1.00 24.13 C ATOM 715 C PHE A 44 -8.614 12.743 7.123 1.00 24.22 C ATOM 716 O PHE A 44 -8.192 12.263 8.174 1.00 2.32 O ATOM 717 CB PHE A 44 -9.401 10.454 6.490 1.00 44.24 C ATOM 718 CG PHE A 44 -10.502 9.620 5.900 1.00 21.34 C ATOM 719 CD1 PHE A 44 -11.830 9.965 6.092 1.00 1.43 C ATOM 720 CD2 PHE A 44 -10.209 8.489 5.154 1.00 43.21 C ATOM 721 CE1 PHE A 44 -12.846 9.200 5.551 1.00 24.21 C ATOM 722 CE2 PHE A 44 -11.220 7.720 4.610 1.00 40.10 C ATOM 723 CZ PHE A 44 -12.540 8.076 4.810 1.00 31.52 C ATOM 0 H PHE A 44 -8.592 11.676 4.389 1.00 0.24 H new ATOM 0 HA PHE A 44 -10.586 12.248 6.459 1.00 24.13 H new ATOM 0 HB2 PHE A 44 -8.446 10.122 6.082 1.00 44.24 H new ATOM 0 HB3 PHE A 44 -9.364 10.284 7.566 1.00 44.24 H new ATOM 0 HD1 PHE A 44 -12.074 10.843 6.672 1.00 1.43 H new ATOM 0 HD2 PHE A 44 -9.179 8.206 4.996 1.00 43.21 H new ATOM 0 HE1 PHE A 44 -13.877 9.481 5.708 1.00 24.21 H new ATOM 0 HE2 PHE A 44 -10.979 6.842 4.029 1.00 40.10 H new ATOM 0 HZ PHE A 44 -13.332 7.475 4.387 1.00 31.52 H new ATOM 733 N ALA A 45 -8.282 13.958 6.698 1.00 52.32 N ATOM 734 CA ALA A 45 -7.385 14.816 7.461 1.00 73.40 C ATOM 735 C ALA A 45 -6.119 14.067 7.863 1.00 51.34 C ATOM 736 O ALA A 45 -5.454 14.428 8.834 1.00 34.44 O ATOM 737 CB ALA A 45 -8.094 15.357 8.694 1.00 23.10 C ATOM 0 H ALA A 45 -8.621 14.370 5.829 1.00 52.32 H new ATOM 0 HA ALA A 45 -7.095 15.653 6.826 1.00 73.40 H new ATOM 0 HB1 ALA A 45 -7.412 15.996 9.255 1.00 23.10 H new ATOM 0 HB2 ALA A 45 -8.965 15.936 8.388 1.00 23.10 H new ATOM 0 HB3 ALA A 45 -8.413 14.527 9.324 1.00 23.10 H new ATOM 743 N VAL A 46 -5.790 13.023 7.108 1.00 53.41 N ATOM 744 CA VAL A 46 -4.603 12.224 7.385 1.00 65.22 C ATOM 745 C VAL A 46 -3.611 12.295 6.229 1.00 23.31 C ATOM 746 O VAL A 46 -3.944 11.967 5.091 1.00 23.22 O ATOM 747 CB VAL A 46 -4.967 10.750 7.646 1.00 44.51 C ATOM 748 CG1 VAL A 46 -3.710 9.919 7.855 1.00 72.02 C ATOM 749 CG2 VAL A 46 -5.897 10.635 8.844 1.00 53.55 C ATOM 0 H VAL A 46 -6.329 12.711 6.300 1.00 53.41 H new ATOM 0 HA VAL A 46 -4.143 12.640 8.281 1.00 65.22 H new ATOM 0 HB VAL A 46 -5.489 10.362 6.771 1.00 44.51 H new ATOM 0 HG11 VAL A 46 -3.987 8.881 8.038 1.00 72.02 H new ATOM 0 HG12 VAL A 46 -3.084 9.976 6.965 1.00 72.02 H new ATOM 0 HG13 VAL A 46 -3.158 10.304 8.712 1.00 72.02 H new ATOM 0 HG21 VAL A 46 -6.144 9.587 9.014 1.00 53.55 H new ATOM 0 HG22 VAL A 46 -5.404 11.039 9.728 1.00 53.55 H new ATOM 0 HG23 VAL A 46 -6.811 11.196 8.650 1.00 53.55 H new ATOM 759 N ASN A 47 -2.389 12.724 6.530 1.00 52.20 N ATOM 760 CA ASN A 47 -1.348 12.838 5.515 1.00 11.00 C ATOM 761 C ASN A 47 -0.922 11.460 5.017 1.00 5.12 C ATOM 762 O ASN A 47 -0.797 10.506 5.785 1.00 43.01 O ATOM 763 CB ASN A 47 -0.138 13.586 6.079 1.00 51.12 C ATOM 764 CG ASN A 47 -0.328 15.090 6.058 1.00 2.01 C ATOM 765 OD1 ASN A 47 -0.162 15.734 5.022 1.00 33.33 O ATOM 766 ND2 ASN A 47 -0.677 15.658 7.207 1.00 44.33 N ATOM 0 H ASN A 47 -2.096 12.998 7.468 1.00 52.20 H new ATOM 0 HA ASN A 47 -1.754 13.399 4.673 1.00 11.00 H new ATOM 0 HB2 ASN A 47 0.043 13.259 7.103 1.00 51.12 H new ATOM 0 HB3 ASN A 47 0.749 13.326 5.500 1.00 51.12 H new ATOM 0 HD21 ASN A 47 -0.818 16.667 7.255 1.00 44.33 H new ATOM 0 HD22 ASN A 47 -0.804 15.085 8.041 1.00 44.33 H new ATOM 773 N PRO A 48 -0.693 11.353 3.700 1.00 65.03 N ATOM 774 CA PRO A 48 -0.275 10.097 3.068 1.00 14.14 C ATOM 775 C PRO A 48 1.148 9.702 3.448 1.00 5.24 C ATOM 776 O PRO A 48 1.629 8.636 3.069 1.00 74.23 O ATOM 777 CB PRO A 48 -0.364 10.406 1.572 1.00 25.11 C ATOM 778 CG PRO A 48 -0.197 11.883 1.479 1.00 11.33 C ATOM 779 CD PRO A 48 -0.822 12.449 2.725 1.00 31.44 C ATOM 0 HA PRO A 48 -0.895 9.257 3.381 1.00 14.14 H new ATOM 0 HB2 PRO A 48 0.413 9.884 1.013 1.00 25.11 H new ATOM 0 HB3 PRO A 48 -1.322 10.089 1.159 1.00 25.11 H new ATOM 0 HG2 PRO A 48 0.857 12.153 1.413 1.00 11.33 H new ATOM 0 HG3 PRO A 48 -0.683 12.275 0.586 1.00 11.33 H new ATOM 0 HD2 PRO A 48 -0.305 13.348 3.061 1.00 31.44 H new ATOM 0 HD3 PRO A 48 -1.865 12.722 2.563 1.00 31.44 H new ATOM 787 N GLY A 49 1.818 10.570 4.200 1.00 2.43 N ATOM 788 CA GLY A 49 3.179 10.294 4.619 1.00 40.43 C ATOM 789 C GLY A 49 3.255 9.191 5.656 1.00 74.31 C ATOM 790 O GLY A 49 4.344 8.775 6.053 1.00 14.14 O ATOM 0 H GLY A 49 1.442 11.460 4.527 1.00 2.43 H new ATOM 0 HA2 GLY A 49 3.773 10.012 3.750 1.00 40.43 H new ATOM 0 HA3 GLY A 49 3.621 11.203 5.027 1.00 40.43 H new ATOM 794 N LEU A 50 2.095 8.717 6.097 1.00 21.35 N ATOM 795 CA LEU A 50 2.033 7.656 7.097 1.00 43.03 C ATOM 796 C LEU A 50 2.265 6.291 6.457 1.00 13.30 C ATOM 797 O LEU A 50 2.328 5.273 7.148 1.00 64.24 O ATOM 798 CB LEU A 50 0.678 7.676 7.807 1.00 64.32 C ATOM 799 CG LEU A 50 0.372 8.925 8.634 1.00 11.14 C ATOM 800 CD1 LEU A 50 -1.035 8.853 9.208 1.00 50.44 C ATOM 801 CD2 LEU A 50 1.396 9.091 9.747 1.00 13.34 C ATOM 0 H LEU A 50 1.185 9.050 5.778 1.00 21.35 H new ATOM 0 HA LEU A 50 2.822 7.833 7.828 1.00 43.03 H new ATOM 0 HB2 LEU A 50 -0.104 7.561 7.057 1.00 64.32 H new ATOM 0 HB3 LEU A 50 0.621 6.807 8.463 1.00 64.32 H new ATOM 0 HG LEU A 50 0.432 9.795 7.980 1.00 11.14 H new ATOM 0 HD11 LEU A 50 -1.235 9.750 9.794 1.00 50.44 H new ATOM 0 HD12 LEU A 50 -1.757 8.782 8.394 1.00 50.44 H new ATOM 0 HD13 LEU A 50 -1.122 7.975 9.848 1.00 50.44 H new ATOM 0 HD21 LEU A 50 1.163 9.985 10.326 1.00 13.34 H new ATOM 0 HD22 LEU A 50 1.368 8.219 10.400 1.00 13.34 H new ATOM 0 HD23 LEU A 50 2.392 9.189 9.314 1.00 13.34 H new ATOM 813 N LEU A 51 2.392 6.277 5.135 1.00 41.44 N ATOM 814 CA LEU A 51 2.620 5.037 4.401 1.00 21.00 C ATOM 815 C LEU A 51 4.111 4.744 4.277 1.00 43.45 C ATOM 816 O LEU A 51 4.508 3.637 3.914 1.00 72.20 O ATOM 817 CB LEU A 51 1.987 5.120 3.011 1.00 54.24 C ATOM 818 CG LEU A 51 0.501 5.479 2.971 1.00 63.02 C ATOM 819 CD1 LEU A 51 0.080 5.854 1.559 1.00 65.35 C ATOM 820 CD2 LEU A 51 -0.341 4.324 3.492 1.00 32.01 C ATOM 0 H LEU A 51 2.341 7.110 4.549 1.00 41.44 H new ATOM 0 HA LEU A 51 2.154 4.224 4.957 1.00 21.00 H new ATOM 0 HB2 LEU A 51 2.535 5.860 2.428 1.00 54.24 H new ATOM 0 HB3 LEU A 51 2.122 4.159 2.514 1.00 54.24 H new ATOM 0 HG LEU A 51 0.338 6.341 3.617 1.00 63.02 H new ATOM 0 HD11 LEU A 51 -0.980 6.106 1.550 1.00 65.35 H new ATOM 0 HD12 LEU A 51 0.660 6.713 1.222 1.00 65.35 H new ATOM 0 HD13 LEU A 51 0.258 5.012 0.890 1.00 65.35 H new ATOM 0 HD21 LEU A 51 -1.396 4.597 3.456 1.00 32.01 H new ATOM 0 HD22 LEU A 51 -0.173 3.443 2.872 1.00 32.01 H new ATOM 0 HD23 LEU A 51 -0.058 4.103 4.521 1.00 32.01 H new ATOM 832 N GLU A 52 4.933 5.744 4.581 1.00 25.10 N ATOM 833 CA GLU A 52 6.382 5.591 4.504 1.00 53.23 C ATOM 834 C GLU A 52 6.977 5.344 5.887 1.00 4.52 C ATOM 835 O GLU A 52 8.068 5.824 6.201 1.00 32.40 O ATOM 836 CB GLU A 52 7.014 6.837 3.878 1.00 22.43 C ATOM 837 CG GLU A 52 6.812 8.099 4.698 1.00 41.20 C ATOM 838 CD GLU A 52 7.949 9.090 4.535 1.00 63.41 C ATOM 839 OE1 GLU A 52 8.836 8.841 3.691 1.00 11.34 O ATOM 840 OE2 GLU A 52 7.951 10.112 5.250 1.00 3.25 O ATOM 0 H GLU A 52 4.621 6.667 4.882 1.00 25.10 H new ATOM 0 HA GLU A 52 6.599 4.727 3.876 1.00 53.23 H new ATOM 0 HB2 GLU A 52 8.083 6.666 3.748 1.00 22.43 H new ATOM 0 HB3 GLU A 52 6.592 6.988 2.884 1.00 22.43 H new ATOM 0 HG2 GLU A 52 5.876 8.574 4.403 1.00 41.20 H new ATOM 0 HG3 GLU A 52 6.716 7.832 5.750 1.00 41.20 H new ATOM 847 N THR A 53 6.254 4.593 6.711 1.00 14.34 N ATOM 848 CA THR A 53 6.707 4.284 8.061 1.00 64.12 C ATOM 849 C THR A 53 6.014 3.040 8.603 1.00 61.54 C ATOM 850 O THR A 53 4.803 3.037 8.819 1.00 54.13 O ATOM 851 CB THR A 53 6.453 5.460 9.023 1.00 12.12 C ATOM 852 OG1 THR A 53 5.105 5.416 9.504 1.00 43.55 O ATOM 853 CG2 THR A 53 6.707 6.790 8.331 1.00 45.31 C ATOM 0 H THR A 53 5.351 4.187 6.466 1.00 14.34 H new ATOM 0 HA THR A 53 7.780 4.101 7.999 1.00 64.12 H new ATOM 0 HB THR A 53 7.142 5.369 9.863 1.00 12.12 H new ATOM 0 HG1 THR A 53 4.586 4.783 8.966 1.00 43.55 H new ATOM 0 HG21 THR A 53 6.521 7.605 9.030 1.00 45.31 H new ATOM 0 HG22 THR A 53 7.742 6.832 7.992 1.00 45.31 H new ATOM 0 HG23 THR A 53 6.040 6.888 7.474 1.00 45.31 H new ATOM 861 N SER A 54 6.790 1.983 8.821 1.00 21.43 N ATOM 862 CA SER A 54 6.249 0.730 9.335 1.00 24.34 C ATOM 863 C SER A 54 5.406 0.975 10.584 1.00 63.42 C ATOM 864 O SER A 54 4.397 0.306 10.803 1.00 23.20 O ATOM 865 CB SER A 54 7.383 -0.246 9.654 1.00 73.54 C ATOM 866 OG SER A 54 8.618 0.433 9.792 1.00 60.24 O ATOM 0 H SER A 54 7.795 1.969 8.650 1.00 21.43 H new ATOM 0 HA SER A 54 5.610 0.295 8.566 1.00 24.34 H new ATOM 0 HB2 SER A 54 7.156 -0.784 10.574 1.00 73.54 H new ATOM 0 HB3 SER A 54 7.460 -0.990 8.861 1.00 73.54 H new ATOM 0 HG SER A 54 9.325 -0.213 9.997 1.00 60.24 H new ATOM 872 N GLU A 55 5.830 1.937 11.397 1.00 34.52 N ATOM 873 CA GLU A 55 5.115 2.268 12.623 1.00 13.25 C ATOM 874 C GLU A 55 3.847 3.060 12.317 1.00 10.22 C ATOM 875 O GLU A 55 2.894 3.052 13.095 1.00 4.42 O ATOM 876 CB GLU A 55 6.016 3.072 13.564 1.00 21.04 C ATOM 877 CG GLU A 55 5.430 3.264 14.953 1.00 61.32 C ATOM 878 CD GLU A 55 5.921 4.533 15.622 1.00 31.41 C ATOM 879 OE1 GLU A 55 6.970 4.478 16.297 1.00 65.00 O ATOM 880 OE2 GLU A 55 5.256 5.578 15.474 1.00 41.45 O ATOM 0 H GLU A 55 6.664 2.500 11.229 1.00 34.52 H new ATOM 0 HA GLU A 55 4.832 1.335 13.111 1.00 13.25 H new ATOM 0 HB2 GLU A 55 6.978 2.567 13.652 1.00 21.04 H new ATOM 0 HB3 GLU A 55 6.208 4.050 13.122 1.00 21.04 H new ATOM 0 HG2 GLU A 55 4.343 3.291 14.884 1.00 61.32 H new ATOM 0 HG3 GLU A 55 5.689 2.407 15.574 1.00 61.32 H new ATOM 887 N GLY A 56 3.844 3.744 11.177 1.00 3.35 N ATOM 888 CA GLY A 56 2.690 4.533 10.787 1.00 23.03 C ATOM 889 C GLY A 56 1.530 3.673 10.324 1.00 44.21 C ATOM 890 O GLY A 56 0.405 3.827 10.799 1.00 42.51 O ATOM 0 H GLY A 56 4.621 3.766 10.516 1.00 3.35 H new ATOM 0 HA2 GLY A 56 2.371 5.145 11.630 1.00 23.03 H new ATOM 0 HA3 GLY A 56 2.974 5.216 9.987 1.00 23.03 H new ATOM 894 N CYS A 57 1.804 2.767 9.392 1.00 22.43 N ATOM 895 CA CYS A 57 0.775 1.880 8.862 1.00 2.30 C ATOM 896 C CYS A 57 -0.008 1.219 9.991 1.00 50.41 C ATOM 897 O CYS A 57 -1.170 0.848 9.821 1.00 44.41 O ATOM 898 CB CYS A 57 1.404 0.811 7.967 1.00 31.44 C ATOM 899 SG CYS A 57 2.274 1.472 6.526 1.00 21.31 S ATOM 0 H CYS A 57 2.730 2.627 8.988 1.00 22.43 H new ATOM 0 HA CYS A 57 0.085 2.480 8.269 1.00 2.30 H new ATOM 0 HB2 CYS A 57 2.102 0.221 8.560 1.00 31.44 H new ATOM 0 HB3 CYS A 57 0.622 0.132 7.626 1.00 31.44 H new ATOM 0 HG CYS A 57 1.507 1.389 5.480 1.00 21.31 H new ATOM 905 N ARG A 58 0.636 1.072 11.144 1.00 1.24 N ATOM 906 CA ARG A 58 0.001 0.453 12.302 1.00 42.04 C ATOM 907 C ARG A 58 -0.763 1.489 13.121 1.00 5.03 C ATOM 908 O ARG A 58 -1.846 1.211 13.635 1.00 13.50 O ATOM 909 CB ARG A 58 1.049 -0.235 13.177 1.00 11.24 C ATOM 910 CG ARG A 58 0.507 -1.421 13.958 1.00 11.24 C ATOM 911 CD ARG A 58 1.586 -2.065 14.814 1.00 32.30 C ATOM 912 NE ARG A 58 2.174 -1.118 15.758 1.00 44.35 N ATOM 913 CZ ARG A 58 3.071 -1.457 16.677 1.00 62.34 C ATOM 914 NH1 ARG A 58 3.479 -2.714 16.777 1.00 64.13 N ATOM 915 NH2 ARG A 58 3.561 -0.538 17.499 1.00 52.31 N ATOM 0 H ARG A 58 1.598 1.373 11.302 1.00 1.24 H new ATOM 0 HA ARG A 58 -0.707 -0.293 11.942 1.00 42.04 H new ATOM 0 HB2 ARG A 58 1.872 -0.571 12.547 1.00 11.24 H new ATOM 0 HB3 ARG A 58 1.460 0.493 13.877 1.00 11.24 H new ATOM 0 HG2 ARG A 58 -0.316 -1.094 14.593 1.00 11.24 H new ATOM 0 HG3 ARG A 58 0.101 -2.159 13.266 1.00 11.24 H new ATOM 0 HD2 ARG A 58 1.160 -2.906 15.362 1.00 32.30 H new ATOM 0 HD3 ARG A 58 2.368 -2.467 14.170 1.00 32.30 H new ATOM 0 HE ARG A 58 1.880 -0.143 15.709 1.00 44.35 H new ATOM 0 HH11 ARG A 58 3.104 -3.424 16.147 1.00 64.13 H new ATOM 0 HH12 ARG A 58 4.168 -2.972 17.484 1.00 64.13 H new ATOM 0 HH21 ARG A 58 3.249 0.430 17.426 1.00 52.31 H new ATOM 0 HH22 ARG A 58 4.250 -0.800 18.204 1.00 52.31 H new ATOM 929 N GLN A 59 -0.189 2.682 13.240 1.00 34.43 N ATOM 930 CA GLN A 59 -0.816 3.757 13.999 1.00 3.52 C ATOM 931 C GLN A 59 -2.084 4.245 13.307 1.00 12.01 C ATOM 932 O GLN A 59 -3.025 4.696 13.960 1.00 0.34 O ATOM 933 CB GLN A 59 0.162 4.922 14.178 1.00 64.45 C ATOM 934 CG GLN A 59 0.009 5.647 15.504 1.00 30.03 C ATOM 935 CD GLN A 59 0.536 7.067 15.456 1.00 34.00 C ATOM 936 OE1 GLN A 59 -0.159 7.985 15.019 1.00 21.12 O ATOM 937 NE2 GLN A 59 1.770 7.257 15.908 1.00 20.52 N ATOM 0 H GLN A 59 0.708 2.928 12.821 1.00 34.43 H new ATOM 0 HA GLN A 59 -1.087 3.365 14.979 1.00 3.52 H new ATOM 0 HB2 GLN A 59 1.182 4.545 14.095 1.00 64.45 H new ATOM 0 HB3 GLN A 59 0.018 5.634 13.365 1.00 64.45 H new ATOM 0 HG2 GLN A 59 -1.044 5.663 15.785 1.00 30.03 H new ATOM 0 HG3 GLN A 59 0.538 5.093 16.280 1.00 30.03 H new ATOM 0 HE21 GLN A 59 2.311 6.468 16.261 1.00 20.52 H new ATOM 0 HE22 GLN A 59 2.177 8.192 15.902 1.00 20.52 H new ATOM 946 N ILE A 60 -2.102 4.153 11.982 1.00 61.12 N ATOM 947 CA ILE A 60 -3.254 4.584 11.202 1.00 73.34 C ATOM 948 C ILE A 60 -4.484 3.741 11.524 1.00 63.21 C ATOM 949 O ILE A 60 -5.581 4.268 11.713 1.00 3.11 O ATOM 950 CB ILE A 60 -2.973 4.503 9.689 1.00 71.02 C ATOM 951 CG1 ILE A 60 -1.761 5.363 9.328 1.00 42.45 C ATOM 952 CG2 ILE A 60 -4.196 4.944 8.899 1.00 33.41 C ATOM 953 CD1 ILE A 60 -0.967 4.826 8.157 1.00 20.51 C ATOM 0 H ILE A 60 -1.331 3.783 11.426 1.00 61.12 H new ATOM 0 HA ILE A 60 -3.446 5.622 11.473 1.00 73.34 H new ATOM 0 HB ILE A 60 -2.751 3.468 9.430 1.00 71.02 H new ATOM 0 HG12 ILE A 60 -2.098 6.373 9.095 1.00 42.45 H new ATOM 0 HG13 ILE A 60 -1.107 5.438 10.197 1.00 42.45 H new ATOM 0 HG21 ILE A 60 -3.982 4.881 7.832 1.00 33.41 H new ATOM 0 HG22 ILE A 60 -5.038 4.295 9.139 1.00 33.41 H new ATOM 0 HG23 ILE A 60 -4.446 5.973 9.159 1.00 33.41 H new ATOM 0 HD11 ILE A 60 -0.123 5.486 7.957 1.00 20.51 H new ATOM 0 HD12 ILE A 60 -0.599 3.828 8.394 1.00 20.51 H new ATOM 0 HD13 ILE A 60 -1.606 4.777 7.276 1.00 20.51 H new ATOM 965 N LEU A 61 -4.292 2.427 11.588 1.00 34.22 N ATOM 966 CA LEU A 61 -5.385 1.509 11.891 1.00 40.02 C ATOM 967 C LEU A 61 -5.978 1.803 13.264 1.00 33.04 C ATOM 968 O LEU A 61 -7.170 1.601 13.493 1.00 32.32 O ATOM 969 CB LEU A 61 -4.891 0.062 11.834 1.00 31.35 C ATOM 970 CG LEU A 61 -4.222 -0.368 10.528 1.00 30.54 C ATOM 971 CD1 LEU A 61 -3.660 -1.776 10.656 1.00 60.45 C ATOM 972 CD2 LEU A 61 -5.207 -0.288 9.373 1.00 73.43 C ATOM 0 H LEU A 61 -3.391 1.974 11.434 1.00 34.22 H new ATOM 0 HA LEU A 61 -6.164 1.650 11.142 1.00 40.02 H new ATOM 0 HB2 LEU A 61 -4.184 -0.092 12.649 1.00 31.35 H new ATOM 0 HB3 LEU A 61 -5.739 -0.598 12.019 1.00 31.35 H new ATOM 0 HG LEU A 61 -3.397 0.314 10.322 1.00 30.54 H new ATOM 0 HD11 LEU A 61 -3.188 -2.066 9.717 1.00 60.45 H new ATOM 0 HD12 LEU A 61 -2.921 -1.801 11.457 1.00 60.45 H new ATOM 0 HD13 LEU A 61 -4.468 -2.471 10.885 1.00 60.45 H new ATOM 0 HD21 LEU A 61 -4.713 -0.598 8.452 1.00 73.43 H new ATOM 0 HD22 LEU A 61 -6.053 -0.946 9.570 1.00 73.43 H new ATOM 0 HD23 LEU A 61 -5.562 0.737 9.268 1.00 73.43 H new ATOM 984 N GLY A 62 -5.139 2.283 14.176 1.00 44.43 N ATOM 985 CA GLY A 62 -5.599 2.600 15.515 1.00 14.01 C ATOM 986 C GLY A 62 -6.476 3.836 15.550 1.00 32.32 C ATOM 987 O GLY A 62 -7.399 3.927 16.360 1.00 0.04 O ATOM 0 H GLY A 62 -4.148 2.458 14.011 1.00 44.43 H new ATOM 0 HA2 GLY A 62 -6.155 1.752 15.915 1.00 14.01 H new ATOM 0 HA3 GLY A 62 -4.737 2.751 16.165 1.00 14.01 H new ATOM 991 N GLN A 63 -6.188 4.790 14.671 1.00 64.44 N ATOM 992 CA GLN A 63 -6.956 6.027 14.607 1.00 45.32 C ATOM 993 C GLN A 63 -8.307 5.794 13.939 1.00 51.11 C ATOM 994 O GLN A 63 -9.293 6.458 14.263 1.00 74.31 O ATOM 995 CB GLN A 63 -6.175 7.099 13.844 1.00 62.52 C ATOM 996 CG GLN A 63 -6.427 8.510 14.348 1.00 31.03 C ATOM 997 CD GLN A 63 -5.271 9.447 14.061 1.00 11.20 C ATOM 998 OE1 GLN A 63 -4.187 9.307 14.629 1.00 13.01 O ATOM 999 NE2 GLN A 63 -5.495 10.412 13.176 1.00 32.33 N ATOM 0 H GLN A 63 -5.428 4.730 13.993 1.00 64.44 H new ATOM 0 HA GLN A 63 -7.129 6.371 15.627 1.00 45.32 H new ATOM 0 HB2 GLN A 63 -5.109 6.881 13.917 1.00 62.52 H new ATOM 0 HB3 GLN A 63 -6.440 7.047 12.788 1.00 62.52 H new ATOM 0 HG2 GLN A 63 -7.331 8.902 13.883 1.00 31.03 H new ATOM 0 HG3 GLN A 63 -6.608 8.481 15.422 1.00 31.03 H new ATOM 0 HE21 GLN A 63 -6.408 10.492 12.729 1.00 32.33 H new ATOM 0 HE22 GLN A 63 -4.754 11.073 12.944 1.00 32.33 H new ATOM 1008 N LEU A 64 -8.346 4.849 13.006 1.00 11.20 N ATOM 1009 CA LEU A 64 -9.577 4.529 12.293 1.00 74.13 C ATOM 1010 C LEU A 64 -10.355 3.432 13.013 1.00 64.40 C ATOM 1011 O LEU A 64 -11.554 3.265 12.797 1.00 13.42 O ATOM 1012 CB LEU A 64 -9.261 4.090 10.861 1.00 1.21 C ATOM 1013 CG LEU A 64 -8.318 5.000 10.074 1.00 3.42 C ATOM 1014 CD1 LEU A 64 -7.921 4.348 8.759 1.00 52.24 C ATOM 1015 CD2 LEU A 64 -8.967 6.354 9.826 1.00 5.42 C ATOM 0 H LEU A 64 -7.539 4.291 12.726 1.00 11.20 H new ATOM 0 HA LEU A 64 -10.194 5.427 12.264 1.00 74.13 H new ATOM 0 HB2 LEU A 64 -8.825 3.092 10.896 1.00 1.21 H new ATOM 0 HB3 LEU A 64 -10.199 4.009 10.311 1.00 1.21 H new ATOM 0 HG LEU A 64 -7.416 5.155 10.666 1.00 3.42 H new ATOM 0 HD11 LEU A 64 -7.250 5.010 8.213 1.00 52.24 H new ATOM 0 HD12 LEU A 64 -7.415 3.403 8.959 1.00 52.24 H new ATOM 0 HD13 LEU A 64 -8.813 4.162 8.161 1.00 52.24 H new ATOM 0 HD21 LEU A 64 -8.281 6.989 9.265 1.00 5.42 H new ATOM 0 HD22 LEU A 64 -9.886 6.218 9.255 1.00 5.42 H new ATOM 0 HD23 LEU A 64 -9.199 6.826 10.780 1.00 5.42 H new ATOM 1027 N GLN A 65 -9.661 2.688 13.869 1.00 34.51 N ATOM 1028 CA GLN A 65 -10.288 1.607 14.622 1.00 34.01 C ATOM 1029 C GLN A 65 -11.573 2.084 15.291 1.00 14.41 C ATOM 1030 O GLN A 65 -12.651 1.523 15.090 1.00 10.13 O ATOM 1031 CB GLN A 65 -9.322 1.065 15.676 1.00 62.11 C ATOM 1032 CG GLN A 65 -10.008 0.293 16.791 1.00 71.40 C ATOM 1033 CD GLN A 65 -10.200 1.124 18.044 1.00 11.13 C ATOM 1034 OE1 GLN A 65 -11.327 1.435 18.431 1.00 55.15 O ATOM 1035 NE2 GLN A 65 -9.097 1.489 18.688 1.00 64.44 N ATOM 0 H GLN A 65 -8.667 2.813 14.058 1.00 34.51 H new ATOM 0 HA GLN A 65 -10.538 0.809 13.923 1.00 34.01 H new ATOM 0 HB2 GLN A 65 -8.594 0.415 15.190 1.00 62.11 H new ATOM 0 HB3 GLN A 65 -8.767 1.897 16.110 1.00 62.11 H new ATOM 0 HG2 GLN A 65 -10.978 -0.058 16.441 1.00 71.40 H new ATOM 0 HG3 GLN A 65 -9.417 -0.591 17.033 1.00 71.40 H new ATOM 0 HE21 GLN A 65 -8.183 1.209 18.332 1.00 64.44 H new ATOM 0 HE22 GLN A 65 -9.164 2.049 19.538 1.00 64.44 H new ATOM 1044 N PRO A 66 -11.459 3.143 16.106 1.00 74.22 N ATOM 1045 CA PRO A 66 -12.602 3.718 16.820 1.00 14.24 C ATOM 1046 C PRO A 66 -13.578 4.421 15.883 1.00 34.31 C ATOM 1047 O PRO A 66 -14.641 4.877 16.306 1.00 51.03 O ATOM 1048 CB PRO A 66 -11.954 4.728 17.772 1.00 53.24 C ATOM 1049 CG PRO A 66 -10.669 5.095 17.116 1.00 61.34 C ATOM 1050 CD PRO A 66 -10.206 3.862 16.391 1.00 65.33 C ATOM 0 HA PRO A 66 -13.193 2.954 17.324 1.00 14.24 H new ATOM 0 HB2 PRO A 66 -12.590 5.602 17.915 1.00 53.24 H new ATOM 0 HB3 PRO A 66 -11.786 4.292 18.757 1.00 53.24 H new ATOM 0 HG2 PRO A 66 -10.808 5.925 16.424 1.00 61.34 H new ATOM 0 HG3 PRO A 66 -9.932 5.414 17.853 1.00 61.34 H new ATOM 0 HD2 PRO A 66 -9.669 4.112 15.476 1.00 65.33 H new ATOM 0 HD3 PRO A 66 -9.531 3.265 17.004 1.00 65.33 H new ATOM 1058 N SER A 67 -13.212 4.505 14.608 1.00 42.23 N ATOM 1059 CA SER A 67 -14.053 5.155 13.611 1.00 55.22 C ATOM 1060 C SER A 67 -14.780 4.121 12.756 1.00 11.43 C ATOM 1061 O SER A 67 -15.758 4.437 12.077 1.00 64.44 O ATOM 1062 CB SER A 67 -13.212 6.069 12.720 1.00 53.20 C ATOM 1063 OG SER A 67 -12.812 7.235 13.419 1.00 1.30 O ATOM 0 H SER A 67 -12.337 4.130 14.241 1.00 42.23 H new ATOM 0 HA SER A 67 -14.796 5.755 14.135 1.00 55.22 H new ATOM 0 HB2 SER A 67 -12.331 5.531 12.370 1.00 53.20 H new ATOM 0 HB3 SER A 67 -13.786 6.350 11.837 1.00 53.20 H new ATOM 0 HG SER A 67 -12.274 7.802 12.828 1.00 1.30 H new ATOM 1069 N LEU A 68 -14.297 2.885 12.796 1.00 21.22 N ATOM 1070 CA LEU A 68 -14.898 1.802 12.025 1.00 34.41 C ATOM 1071 C LEU A 68 -16.389 1.684 12.325 1.00 14.51 C ATOM 1072 O LEU A 68 -17.151 1.136 11.528 1.00 4.24 O ATOM 1073 CB LEU A 68 -14.199 0.478 12.335 1.00 65.01 C ATOM 1074 CG LEU A 68 -12.779 0.326 11.789 1.00 45.43 C ATOM 1075 CD1 LEU A 68 -12.037 -0.776 12.530 1.00 44.34 C ATOM 1076 CD2 LEU A 68 -12.810 0.038 10.295 1.00 43.32 C ATOM 0 H LEU A 68 -13.490 2.607 13.355 1.00 21.22 H new ATOM 0 HA LEU A 68 -14.774 2.031 10.967 1.00 34.41 H new ATOM 0 HB2 LEU A 68 -14.166 0.352 13.417 1.00 65.01 H new ATOM 0 HB3 LEU A 68 -14.809 -0.334 11.938 1.00 65.01 H new ATOM 0 HG LEU A 68 -12.247 1.264 11.947 1.00 45.43 H new ATOM 0 HD11 LEU A 68 -11.028 -0.870 12.128 1.00 44.34 H new ATOM 0 HD12 LEU A 68 -11.983 -0.529 13.590 1.00 44.34 H new ATOM 0 HD13 LEU A 68 -12.567 -1.720 12.404 1.00 44.34 H new ATOM 0 HD21 LEU A 68 -11.791 -0.067 9.923 1.00 43.32 H new ATOM 0 HD22 LEU A 68 -13.359 -0.886 10.114 1.00 43.32 H new ATOM 0 HD23 LEU A 68 -13.302 0.860 9.776 1.00 43.32 H new ATOM 1088 N GLN A 69 -16.799 2.203 13.478 1.00 2.33 N ATOM 1089 CA GLN A 69 -18.199 2.157 13.882 1.00 11.12 C ATOM 1090 C GLN A 69 -19.101 2.714 12.786 1.00 50.12 C ATOM 1091 O GLN A 69 -20.144 2.139 12.472 1.00 72.42 O ATOM 1092 CB GLN A 69 -18.404 2.946 15.177 1.00 54.41 C ATOM 1093 CG GLN A 69 -19.732 2.659 15.860 1.00 14.22 C ATOM 1094 CD GLN A 69 -19.882 3.396 17.176 1.00 32.22 C ATOM 1095 OE1 GLN A 69 -19.038 3.281 18.065 1.00 70.54 O ATOM 1096 NE2 GLN A 69 -20.962 4.158 17.308 1.00 25.11 N ATOM 0 H GLN A 69 -16.181 2.660 14.149 1.00 2.33 H new ATOM 0 HA GLN A 69 -18.467 1.114 14.053 1.00 11.12 H new ATOM 0 HB2 GLN A 69 -17.592 2.714 15.867 1.00 54.41 H new ATOM 0 HB3 GLN A 69 -18.341 4.012 14.957 1.00 54.41 H new ATOM 0 HG2 GLN A 69 -20.547 2.942 15.194 1.00 14.22 H new ATOM 0 HG3 GLN A 69 -19.822 1.587 16.036 1.00 14.22 H new ATOM 0 HE21 GLN A 69 -21.636 4.224 16.545 1.00 25.11 H new ATOM 0 HE22 GLN A 69 -21.117 4.677 18.172 1.00 25.11 H new ATOM 1105 N THR A 70 -18.693 3.838 12.204 1.00 20.30 N ATOM 1106 CA THR A 70 -19.464 4.473 11.143 1.00 65.35 C ATOM 1107 C THR A 70 -18.612 5.471 10.366 1.00 10.22 C ATOM 1108 O THR A 70 -19.045 6.590 10.094 1.00 43.13 O ATOM 1109 CB THR A 70 -20.700 5.198 11.705 1.00 54.41 C ATOM 1110 OG1 THR A 70 -21.234 4.469 12.816 1.00 74.00 O ATOM 1111 CG2 THR A 70 -21.769 5.355 10.634 1.00 73.24 C ATOM 0 H THR A 70 -17.832 4.327 12.450 1.00 20.30 H new ATOM 0 HA THR A 70 -19.792 3.679 10.471 1.00 65.35 H new ATOM 0 HB THR A 70 -20.392 6.190 12.037 1.00 54.41 H new ATOM 0 HG1 THR A 70 -21.195 3.508 12.626 1.00 74.00 H new ATOM 0 HG21 THR A 70 -22.633 5.870 11.055 1.00 73.24 H new ATOM 0 HG22 THR A 70 -21.369 5.936 9.803 1.00 73.24 H new ATOM 0 HG23 THR A 70 -22.072 4.371 10.276 1.00 73.24 H new ATOM 1119 N GLY A 71 -17.400 5.058 10.012 1.00 5.20 N ATOM 1120 CA GLY A 71 -16.506 5.928 9.269 1.00 13.43 C ATOM 1121 C GLY A 71 -16.654 5.766 7.769 1.00 2.45 C ATOM 1122 O GLY A 71 -15.686 5.918 7.024 1.00 54.34 O ATOM 0 H GLY A 71 -17.020 4.136 10.226 1.00 5.20 H new ATOM 0 HA2 GLY A 71 -16.704 6.965 9.541 1.00 13.43 H new ATOM 0 HA3 GLY A 71 -15.476 5.715 9.555 1.00 13.43 H new ATOM 1126 N SER A 72 -17.867 5.455 7.326 1.00 35.21 N ATOM 1127 CA SER A 72 -18.137 5.267 5.905 1.00 30.55 C ATOM 1128 C SER A 72 -17.314 4.110 5.345 1.00 4.33 C ATOM 1129 O SER A 72 -16.197 3.855 5.794 1.00 35.05 O ATOM 1130 CB SER A 72 -17.828 6.550 5.131 1.00 31.43 C ATOM 1131 OG SER A 72 -16.462 6.604 4.760 1.00 53.24 O ATOM 0 H SER A 72 -18.679 5.328 7.930 1.00 35.21 H new ATOM 0 HA SER A 72 -19.194 5.028 5.789 1.00 30.55 H new ATOM 0 HB2 SER A 72 -18.453 6.600 4.239 1.00 31.43 H new ATOM 0 HB3 SER A 72 -18.077 7.417 5.743 1.00 31.43 H new ATOM 0 HG SER A 72 -15.902 6.487 5.556 1.00 53.24 H new ATOM 1137 N GLU A 73 -17.875 3.416 4.360 1.00 62.31 N ATOM 1138 CA GLU A 73 -17.193 2.286 3.738 1.00 4.24 C ATOM 1139 C GLU A 73 -15.816 2.697 3.227 1.00 44.30 C ATOM 1140 O GLU A 73 -14.935 1.857 3.042 1.00 73.11 O ATOM 1141 CB GLU A 73 -18.032 1.726 2.588 1.00 43.55 C ATOM 1142 CG GLU A 73 -18.023 0.209 2.510 1.00 20.13 C ATOM 1143 CD GLU A 73 -19.307 -0.353 1.930 1.00 13.25 C ATOM 1144 OE1 GLU A 73 -19.437 -0.378 0.689 1.00 62.41 O ATOM 1145 OE2 GLU A 73 -20.182 -0.766 2.720 1.00 73.30 O ATOM 0 H GLU A 73 -18.798 3.616 3.976 1.00 62.31 H new ATOM 0 HA GLU A 73 -17.064 1.511 4.493 1.00 4.24 H new ATOM 0 HB2 GLU A 73 -19.060 2.069 2.699 1.00 43.55 H new ATOM 0 HB3 GLU A 73 -17.660 2.132 1.647 1.00 43.55 H new ATOM 0 HG2 GLU A 73 -17.180 -0.115 1.899 1.00 20.13 H new ATOM 0 HG3 GLU A 73 -17.869 -0.202 3.508 1.00 20.13 H new ATOM 1152 N GLU A 74 -15.638 3.994 2.999 1.00 14.13 N ATOM 1153 CA GLU A 74 -14.369 4.517 2.506 1.00 31.55 C ATOM 1154 C GLU A 74 -13.244 4.240 3.501 1.00 13.44 C ATOM 1155 O GLU A 74 -12.120 3.924 3.111 1.00 31.44 O ATOM 1156 CB GLU A 74 -14.477 6.021 2.246 1.00 30.22 C ATOM 1157 CG GLU A 74 -15.496 6.383 1.180 1.00 62.44 C ATOM 1158 CD GLU A 74 -15.884 7.847 1.216 1.00 45.21 C ATOM 1159 OE1 GLU A 74 -15.064 8.688 0.788 1.00 20.23 O ATOM 1160 OE2 GLU A 74 -17.005 8.154 1.672 1.00 72.14 O ATOM 0 H GLU A 74 -16.357 4.702 3.148 1.00 14.13 H new ATOM 0 HA GLU A 74 -14.136 4.011 1.569 1.00 31.55 H new ATOM 0 HB2 GLU A 74 -14.743 6.524 3.176 1.00 30.22 H new ATOM 0 HB3 GLU A 74 -13.500 6.400 1.946 1.00 30.22 H new ATOM 0 HG2 GLU A 74 -15.089 6.143 0.198 1.00 62.44 H new ATOM 0 HG3 GLU A 74 -16.388 5.771 1.313 1.00 62.44 H new ATOM 1167 N LEU A 75 -13.557 4.363 4.787 1.00 64.45 N ATOM 1168 CA LEU A 75 -12.574 4.128 5.838 1.00 24.31 C ATOM 1169 C LEU A 75 -12.220 2.647 5.931 1.00 63.12 C ATOM 1170 O LEU A 75 -11.056 2.286 6.109 1.00 4.53 O ATOM 1171 CB LEU A 75 -13.109 4.621 7.183 1.00 35.12 C ATOM 1172 CG LEU A 75 -12.209 4.376 8.395 1.00 62.12 C ATOM 1173 CD1 LEU A 75 -12.022 5.660 9.189 1.00 23.31 C ATOM 1174 CD2 LEU A 75 -12.787 3.280 9.277 1.00 73.11 C ATOM 0 H LEU A 75 -14.483 4.624 5.126 1.00 64.45 H new ATOM 0 HA LEU A 75 -11.671 4.684 5.587 1.00 24.31 H new ATOM 0 HB2 LEU A 75 -13.297 5.692 7.106 1.00 35.12 H new ATOM 0 HB3 LEU A 75 -14.070 4.141 7.367 1.00 35.12 H new ATOM 0 HG LEU A 75 -11.233 4.048 8.038 1.00 62.12 H new ATOM 0 HD11 LEU A 75 -11.379 5.466 10.048 1.00 23.31 H new ATOM 0 HD12 LEU A 75 -11.561 6.417 8.554 1.00 23.31 H new ATOM 0 HD13 LEU A 75 -12.992 6.018 9.535 1.00 23.31 H new ATOM 0 HD21 LEU A 75 -12.133 3.120 10.134 1.00 73.11 H new ATOM 0 HD22 LEU A 75 -13.776 3.577 9.626 1.00 73.11 H new ATOM 0 HD23 LEU A 75 -12.867 2.356 8.704 1.00 73.11 H new ATOM 1186 N ARG A 76 -13.230 1.793 5.806 1.00 51.03 N ATOM 1187 CA ARG A 76 -13.025 0.351 5.874 1.00 22.14 C ATOM 1188 C ARG A 76 -11.945 -0.092 4.892 1.00 40.40 C ATOM 1189 O ARG A 76 -11.019 -0.816 5.256 1.00 30.34 O ATOM 1190 CB ARG A 76 -14.332 -0.386 5.578 1.00 53.10 C ATOM 1191 CG ARG A 76 -15.259 -0.489 6.778 1.00 51.22 C ATOM 1192 CD ARG A 76 -15.579 -1.937 7.113 1.00 1.32 C ATOM 1193 NE ARG A 76 -16.551 -2.511 6.186 1.00 33.14 N ATOM 1194 CZ ARG A 76 -17.145 -3.684 6.377 1.00 41.40 C ATOM 1195 NH1 ARG A 76 -16.867 -4.403 7.455 1.00 31.01 N ATOM 1196 NH2 ARG A 76 -18.019 -4.138 5.488 1.00 20.31 N ATOM 0 H ARG A 76 -14.199 2.075 5.657 1.00 51.03 H new ATOM 0 HA ARG A 76 -12.697 0.104 6.884 1.00 22.14 H new ATOM 0 HB2 ARG A 76 -14.853 0.127 4.770 1.00 53.10 H new ATOM 0 HB3 ARG A 76 -14.100 -1.390 5.221 1.00 53.10 H new ATOM 0 HG2 ARG A 76 -14.795 -0.009 7.640 1.00 51.22 H new ATOM 0 HG3 ARG A 76 -16.183 0.051 6.572 1.00 51.22 H new ATOM 0 HD2 ARG A 76 -14.662 -2.526 7.088 1.00 1.32 H new ATOM 0 HD3 ARG A 76 -15.968 -1.997 8.129 1.00 1.32 H new ATOM 0 HE ARG A 76 -16.787 -1.982 5.346 1.00 33.14 H new ATOM 0 HH11 ARG A 76 -16.196 -4.056 8.140 1.00 31.01 H new ATOM 0 HH12 ARG A 76 -17.324 -5.303 7.599 1.00 31.01 H new ATOM 0 HH21 ARG A 76 -18.235 -3.586 4.658 1.00 20.31 H new ATOM 0 HH22 ARG A 76 -18.475 -5.039 5.635 1.00 20.31 H new ATOM 1210 N SER A 77 -12.071 0.348 3.644 1.00 3.13 N ATOM 1211 CA SER A 77 -11.108 -0.006 2.607 1.00 4.23 C ATOM 1212 C SER A 77 -9.686 0.325 3.050 1.00 24.24 C ATOM 1213 O SER A 77 -8.767 -0.476 2.879 1.00 62.34 O ATOM 1214 CB SER A 77 -11.433 0.730 1.306 1.00 2.33 C ATOM 1215 OG SER A 77 -12.303 -0.035 0.492 1.00 53.34 O ATOM 0 H SER A 77 -12.830 0.950 3.326 1.00 3.13 H new ATOM 0 HA SER A 77 -11.176 -1.080 2.435 1.00 4.23 H new ATOM 0 HB2 SER A 77 -11.894 1.691 1.534 1.00 2.33 H new ATOM 0 HB3 SER A 77 -10.511 0.939 0.763 1.00 2.33 H new ATOM 0 HG SER A 77 -12.497 0.458 -0.333 1.00 53.34 H new ATOM 1221 N LEU A 78 -9.513 1.512 3.623 1.00 71.45 N ATOM 1222 CA LEU A 78 -8.203 1.951 4.092 1.00 73.53 C ATOM 1223 C LEU A 78 -7.610 0.944 5.072 1.00 42.02 C ATOM 1224 O LEU A 78 -6.485 0.476 4.893 1.00 43.30 O ATOM 1225 CB LEU A 78 -8.311 3.323 4.758 1.00 51.44 C ATOM 1226 CG LEU A 78 -7.776 4.506 3.948 1.00 65.11 C ATOM 1227 CD1 LEU A 78 -6.339 4.252 3.520 1.00 22.33 C ATOM 1228 CD2 LEU A 78 -8.658 4.765 2.735 1.00 3.34 C ATOM 0 H LEU A 78 -10.263 2.187 3.774 1.00 71.45 H new ATOM 0 HA LEU A 78 -7.542 2.024 3.229 1.00 73.53 H new ATOM 0 HB2 LEU A 78 -9.359 3.511 4.989 1.00 51.44 H new ATOM 0 HB3 LEU A 78 -7.777 3.287 5.707 1.00 51.44 H new ATOM 0 HG LEU A 78 -7.794 5.393 4.581 1.00 65.11 H new ATOM 0 HD11 LEU A 78 -5.975 5.103 2.945 1.00 22.33 H new ATOM 0 HD12 LEU A 78 -5.715 4.117 4.403 1.00 22.33 H new ATOM 0 HD13 LEU A 78 -6.296 3.353 2.904 1.00 22.33 H new ATOM 0 HD21 LEU A 78 -8.262 5.610 2.171 1.00 3.34 H new ATOM 0 HD22 LEU A 78 -8.672 3.879 2.100 1.00 3.34 H new ATOM 0 HD23 LEU A 78 -9.672 4.992 3.064 1.00 3.34 H new ATOM 1240 N TYR A 79 -8.375 0.612 6.107 1.00 4.42 N ATOM 1241 CA TYR A 79 -7.924 -0.340 7.116 1.00 11.30 C ATOM 1242 C TYR A 79 -7.389 -1.611 6.465 1.00 32.34 C ATOM 1243 O TYR A 79 -6.311 -2.092 6.811 1.00 12.21 O ATOM 1244 CB TYR A 79 -9.071 -0.684 8.068 1.00 24.33 C ATOM 1245 CG TYR A 79 -8.606 -1.217 9.406 1.00 54.41 C ATOM 1246 CD1 TYR A 79 -8.070 -2.493 9.520 1.00 75.41 C ATOM 1247 CD2 TYR A 79 -8.704 -0.442 10.555 1.00 1.40 C ATOM 1248 CE1 TYR A 79 -7.647 -2.983 10.739 1.00 31.23 C ATOM 1249 CE2 TYR A 79 -8.282 -0.923 11.779 1.00 43.22 C ATOM 1250 CZ TYR A 79 -7.754 -2.195 11.866 1.00 43.12 C ATOM 1251 OH TYR A 79 -7.331 -2.679 13.082 1.00 34.44 O ATOM 0 H TYR A 79 -9.309 0.988 6.269 1.00 4.42 H new ATOM 0 HA TYR A 79 -7.116 0.123 7.682 1.00 11.30 H new ATOM 0 HB2 TYR A 79 -9.677 0.207 8.232 1.00 24.33 H new ATOM 0 HB3 TYR A 79 -9.716 -1.425 7.595 1.00 24.33 H new ATOM 0 HD1 TYR A 79 -7.983 -3.113 8.640 1.00 75.41 H new ATOM 0 HD2 TYR A 79 -9.117 0.554 10.490 1.00 1.40 H new ATOM 0 HE1 TYR A 79 -7.234 -3.978 10.810 1.00 31.23 H new ATOM 0 HE2 TYR A 79 -8.365 -0.307 12.663 1.00 43.22 H new ATOM 0 HH TYR A 79 -7.475 -1.999 13.773 1.00 34.44 H new ATOM 1261 N ASN A 80 -8.151 -2.149 5.519 1.00 32.54 N ATOM 1262 CA ASN A 80 -7.755 -3.366 4.818 1.00 4.32 C ATOM 1263 C ASN A 80 -6.554 -3.106 3.914 1.00 0.15 C ATOM 1264 O ASN A 80 -5.806 -4.024 3.576 1.00 25.12 O ATOM 1265 CB ASN A 80 -8.923 -3.906 3.990 1.00 63.11 C ATOM 1266 CG ASN A 80 -9.849 -4.789 4.804 1.00 1.45 C ATOM 1267 OD1 ASN A 80 -9.510 -5.925 5.134 1.00 53.13 O ATOM 1268 ND2 ASN A 80 -11.025 -4.268 5.133 1.00 53.34 N ATOM 0 H ASN A 80 -9.046 -1.762 5.220 1.00 32.54 H new ATOM 0 HA ASN A 80 -7.473 -4.109 5.563 1.00 4.32 H new ATOM 0 HB2 ASN A 80 -9.490 -3.071 3.579 1.00 63.11 H new ATOM 0 HB3 ASN A 80 -8.534 -4.474 3.145 1.00 63.11 H new ATOM 0 HD21 ASN A 80 -11.689 -4.814 5.681 1.00 53.34 H new ATOM 0 HD22 ASN A 80 -11.264 -3.321 4.838 1.00 53.34 H new ATOM 1275 N THR A 81 -6.373 -1.846 3.526 1.00 32.42 N ATOM 1276 CA THR A 81 -5.264 -1.465 2.662 1.00 70.04 C ATOM 1277 C THR A 81 -3.976 -1.303 3.460 1.00 25.01 C ATOM 1278 O THR A 81 -3.032 -2.077 3.296 1.00 65.00 O ATOM 1279 CB THR A 81 -5.560 -0.151 1.915 1.00 35.15 C ATOM 1280 OG1 THR A 81 -6.797 -0.259 1.203 1.00 33.52 O ATOM 1281 CG2 THR A 81 -4.438 0.184 0.944 1.00 54.52 C ATOM 0 H THR A 81 -6.981 -1.073 3.797 1.00 32.42 H new ATOM 0 HA THR A 81 -5.139 -2.268 1.935 1.00 70.04 H new ATOM 0 HB THR A 81 -5.634 0.650 2.651 1.00 35.15 H new ATOM 0 HG1 THR A 81 -7.543 -0.087 1.815 1.00 33.52 H new ATOM 0 HG21 THR A 81 -4.669 1.116 0.428 1.00 54.52 H new ATOM 0 HG22 THR A 81 -3.503 0.296 1.493 1.00 54.52 H new ATOM 0 HG23 THR A 81 -4.337 -0.619 0.214 1.00 54.52 H new ATOM 1289 N ILE A 82 -3.943 -0.295 4.325 1.00 72.42 N ATOM 1290 CA ILE A 82 -2.770 -0.034 5.150 1.00 44.04 C ATOM 1291 C ILE A 82 -2.277 -1.310 5.825 1.00 74.24 C ATOM 1292 O ILE A 82 -1.075 -1.515 5.986 1.00 21.00 O ATOM 1293 CB ILE A 82 -3.065 1.024 6.230 1.00 63.13 C ATOM 1294 CG1 ILE A 82 -3.560 2.319 5.583 1.00 23.35 C ATOM 1295 CG2 ILE A 82 -1.823 1.285 7.069 1.00 72.45 C ATOM 1296 CD1 ILE A 82 -4.708 2.966 6.329 1.00 65.44 C ATOM 0 H ILE A 82 -4.715 0.355 4.473 1.00 72.42 H new ATOM 0 HA ILE A 82 -1.994 0.345 4.484 1.00 44.04 H new ATOM 0 HB ILE A 82 -3.849 0.645 6.886 1.00 63.13 H new ATOM 0 HG12 ILE A 82 -2.732 3.025 5.523 1.00 23.35 H new ATOM 0 HG13 ILE A 82 -3.874 2.108 4.561 1.00 23.35 H new ATOM 0 HG21 ILE A 82 -2.047 2.035 7.828 1.00 72.45 H new ATOM 0 HG22 ILE A 82 -1.511 0.360 7.554 1.00 72.45 H new ATOM 0 HG23 ILE A 82 -1.020 1.647 6.427 1.00 72.45 H new ATOM 0 HD11 ILE A 82 -5.008 3.879 5.814 1.00 65.44 H new ATOM 0 HD12 ILE A 82 -5.552 2.277 6.367 1.00 65.44 H new ATOM 0 HD13 ILE A 82 -4.392 3.208 7.344 1.00 65.44 H new ATOM 1308 N ALA A 83 -3.215 -2.166 6.216 1.00 14.31 N ATOM 1309 CA ALA A 83 -2.877 -3.423 6.870 1.00 73.43 C ATOM 1310 C ALA A 83 -1.981 -4.280 5.982 1.00 61.53 C ATOM 1311 O ALA A 83 -1.104 -4.992 6.471 1.00 71.11 O ATOM 1312 CB ALA A 83 -4.142 -4.185 7.236 1.00 35.03 C ATOM 0 H ALA A 83 -4.215 -2.011 6.091 1.00 14.31 H new ATOM 0 HA ALA A 83 -2.328 -3.192 7.783 1.00 73.43 H new ATOM 0 HB1 ALA A 83 -3.874 -5.122 7.724 1.00 35.03 H new ATOM 0 HB2 ALA A 83 -4.746 -3.583 7.914 1.00 35.03 H new ATOM 0 HB3 ALA A 83 -4.713 -4.397 6.332 1.00 35.03 H new ATOM 1318 N VAL A 84 -2.207 -4.207 4.674 1.00 71.33 N ATOM 1319 CA VAL A 84 -1.419 -4.976 3.718 1.00 41.13 C ATOM 1320 C VAL A 84 -0.061 -4.327 3.479 1.00 64.24 C ATOM 1321 O VAL A 84 0.915 -5.006 3.154 1.00 23.02 O ATOM 1322 CB VAL A 84 -2.153 -5.116 2.371 1.00 73.13 C ATOM 1323 CG1 VAL A 84 -1.306 -5.902 1.381 1.00 54.41 C ATOM 1324 CG2 VAL A 84 -3.508 -5.777 2.569 1.00 72.41 C ATOM 0 H VAL A 84 -2.929 -3.623 4.252 1.00 71.33 H new ATOM 0 HA VAL A 84 -1.274 -5.966 4.149 1.00 41.13 H new ATOM 0 HB VAL A 84 -2.318 -4.120 1.961 1.00 73.13 H new ATOM 0 HG11 VAL A 84 -1.840 -5.991 0.435 1.00 54.41 H new ATOM 0 HG12 VAL A 84 -0.362 -5.382 1.217 1.00 54.41 H new ATOM 0 HG13 VAL A 84 -1.108 -6.897 1.781 1.00 54.41 H new ATOM 0 HG21 VAL A 84 -4.013 -5.868 1.607 1.00 72.41 H new ATOM 0 HG22 VAL A 84 -3.370 -6.768 3.001 1.00 72.41 H new ATOM 0 HG23 VAL A 84 -4.114 -5.170 3.241 1.00 72.41 H new ATOM 1334 N LEU A 85 -0.003 -3.010 3.642 1.00 40.22 N ATOM 1335 CA LEU A 85 1.238 -2.269 3.444 1.00 34.13 C ATOM 1336 C LEU A 85 2.145 -2.390 4.664 1.00 13.24 C ATOM 1337 O LEU A 85 3.364 -2.506 4.536 1.00 60.02 O ATOM 1338 CB LEU A 85 0.936 -0.796 3.164 1.00 52.42 C ATOM 1339 CG LEU A 85 2.150 0.120 3.006 1.00 14.41 C ATOM 1340 CD1 LEU A 85 3.175 -0.508 2.075 1.00 44.53 C ATOM 1341 CD2 LEU A 85 1.723 1.487 2.490 1.00 50.52 C ATOM 0 H LEU A 85 -0.800 -2.433 3.911 1.00 40.22 H new ATOM 0 HA LEU A 85 1.755 -2.698 2.586 1.00 34.13 H new ATOM 0 HB2 LEU A 85 0.339 -0.735 2.254 1.00 52.42 H new ATOM 0 HB3 LEU A 85 0.319 -0.412 3.976 1.00 52.42 H new ATOM 0 HG LEU A 85 2.612 0.252 3.984 1.00 14.41 H new ATOM 0 HD11 LEU A 85 4.032 0.158 1.975 1.00 44.53 H new ATOM 0 HD12 LEU A 85 3.504 -1.462 2.486 1.00 44.53 H new ATOM 0 HD13 LEU A 85 2.725 -0.671 1.095 1.00 44.53 H new ATOM 0 HD21 LEU A 85 2.600 2.126 2.384 1.00 50.52 H new ATOM 0 HD22 LEU A 85 1.236 1.374 1.521 1.00 50.52 H new ATOM 0 HD23 LEU A 85 1.027 1.941 3.195 1.00 50.52 H new ATOM 1353 N TYR A 86 1.542 -2.364 5.848 1.00 22.43 N ATOM 1354 CA TYR A 86 2.296 -2.472 7.091 1.00 11.03 C ATOM 1355 C TYR A 86 3.227 -3.680 7.062 1.00 43.10 C ATOM 1356 O TYR A 86 4.387 -3.593 7.468 1.00 61.25 O ATOM 1357 CB TYR A 86 1.342 -2.578 8.282 1.00 14.22 C ATOM 1358 CG TYR A 86 2.027 -2.956 9.576 1.00 64.44 C ATOM 1359 CD1 TYR A 86 2.771 -2.025 10.289 1.00 43.42 C ATOM 1360 CD2 TYR A 86 1.930 -4.246 10.085 1.00 40.41 C ATOM 1361 CE1 TYR A 86 3.401 -2.367 11.470 1.00 15.54 C ATOM 1362 CE2 TYR A 86 2.554 -4.596 11.267 1.00 44.11 C ATOM 1363 CZ TYR A 86 3.288 -3.652 11.956 1.00 62.42 C ATOM 1364 OH TYR A 86 3.912 -3.997 13.133 1.00 65.21 O ATOM 0 H TYR A 86 0.534 -2.269 5.973 1.00 22.43 H new ATOM 0 HA TYR A 86 2.902 -1.572 7.197 1.00 11.03 H new ATOM 0 HB2 TYR A 86 0.834 -1.623 8.415 1.00 14.22 H new ATOM 0 HB3 TYR A 86 0.575 -3.319 8.057 1.00 14.22 H new ATOM 0 HD1 TYR A 86 2.859 -1.016 9.914 1.00 43.42 H new ATOM 0 HD2 TYR A 86 1.357 -4.987 9.547 1.00 40.41 H new ATOM 0 HE1 TYR A 86 3.979 -1.631 12.010 1.00 15.54 H new ATOM 0 HE2 TYR A 86 2.468 -5.602 11.649 1.00 44.11 H new ATOM 0 HH TYR A 86 3.732 -4.939 13.335 1.00 65.21 H new ATOM 1374 N CYS A 87 2.710 -4.805 6.580 1.00 45.10 N ATOM 1375 CA CYS A 87 3.495 -6.032 6.497 1.00 4.33 C ATOM 1376 C CYS A 87 4.608 -5.897 5.463 1.00 63.04 C ATOM 1377 O CYS A 87 5.640 -6.562 5.556 1.00 52.12 O ATOM 1378 CB CYS A 87 2.593 -7.215 6.143 1.00 51.22 C ATOM 1379 SG CYS A 87 1.739 -7.943 7.560 1.00 62.42 S ATOM 0 H CYS A 87 1.752 -4.893 6.241 1.00 45.10 H new ATOM 0 HA CYS A 87 3.950 -6.210 7.471 1.00 4.33 H new ATOM 0 HB2 CYS A 87 1.851 -6.887 5.415 1.00 51.22 H new ATOM 0 HB3 CYS A 87 3.195 -7.985 5.660 1.00 51.22 H new ATOM 0 HG CYS A 87 0.471 -8.053 7.293 1.00 62.42 H new ATOM 1385 N VAL A 88 4.391 -5.032 4.477 1.00 61.43 N ATOM 1386 CA VAL A 88 5.375 -4.810 3.424 1.00 50.21 C ATOM 1387 C VAL A 88 6.602 -4.085 3.964 1.00 41.23 C ATOM 1388 O VAL A 88 7.701 -4.213 3.421 1.00 12.24 O ATOM 1389 CB VAL A 88 4.779 -3.994 2.262 1.00 43.23 C ATOM 1390 CG1 VAL A 88 5.822 -3.768 1.178 1.00 74.33 C ATOM 1391 CG2 VAL A 88 3.551 -4.692 1.696 1.00 43.44 C ATOM 0 H VAL A 88 3.542 -4.474 4.386 1.00 61.43 H new ATOM 0 HA VAL A 88 5.670 -5.792 3.054 1.00 50.21 H new ATOM 0 HB VAL A 88 4.471 -3.021 2.644 1.00 43.23 H new ATOM 0 HG11 VAL A 88 5.383 -3.190 0.365 1.00 74.33 H new ATOM 0 HG12 VAL A 88 6.668 -3.222 1.595 1.00 74.33 H new ATOM 0 HG13 VAL A 88 6.164 -4.730 0.796 1.00 74.33 H new ATOM 0 HG21 VAL A 88 3.143 -4.102 0.876 1.00 43.44 H new ATOM 0 HG22 VAL A 88 3.831 -5.679 1.328 1.00 43.44 H new ATOM 0 HG23 VAL A 88 2.799 -4.796 2.478 1.00 43.44 H new ATOM 1401 N HIS A 89 6.409 -3.322 5.035 1.00 13.03 N ATOM 1402 CA HIS A 89 7.501 -2.575 5.650 1.00 22.25 C ATOM 1403 C HIS A 89 8.051 -3.320 6.864 1.00 32.20 C ATOM 1404 O HIS A 89 9.187 -3.031 7.236 1.00 62.33 O ATOM 1405 CB HIS A 89 7.026 -1.182 6.065 1.00 72.25 C ATOM 1406 CG HIS A 89 6.508 -0.363 4.923 1.00 21.01 C ATOM 1407 ND1 HIS A 89 7.069 -0.387 3.663 1.00 0.14 N ATOM 1408 CD2 HIS A 89 5.474 0.508 4.856 1.00 74.23 C ATOM 1409 CE1 HIS A 89 6.402 0.434 2.872 1.00 45.13 C ATOM 1410 NE2 HIS A 89 5.429 0.989 3.571 1.00 52.53 N ATOM 0 H HIS A 89 5.506 -3.205 5.495 1.00 13.03 H new ATOM 0 HA HIS A 89 8.299 -2.473 4.914 1.00 22.25 H new ATOM 0 HB2 HIS A 89 6.241 -1.283 6.815 1.00 72.25 H new ATOM 0 HB3 HIS A 89 7.852 -0.651 6.537 1.00 72.25 H new ATOM 0 HD2 HIS A 89 4.808 0.775 5.663 1.00 74.23 H new ATOM 0 HE1 HIS A 89 6.616 0.620 1.830 1.00 45.13 H new ATOM 0 HE2 HIS A 89 4.754 1.665 3.214 1.00 52.53 H new ATOM 1419 N GLN A 90 7.301 -4.236 7.468 1.00 30.21 N ATOM 1420 CA GLN A 90 7.784 -4.972 8.631 1.00 41.31 C ATOM 1421 C GLN A 90 8.401 -6.303 8.216 1.00 54.45 C ATOM 1422 O GLN A 90 8.710 -7.145 9.059 1.00 42.10 O ATOM 1423 CB GLN A 90 6.641 -5.211 9.619 1.00 21.41 C ATOM 1424 CG GLN A 90 6.631 -4.237 10.786 1.00 52.15 C ATOM 1425 CD GLN A 90 7.949 -4.207 11.533 1.00 31.32 C ATOM 1426 OE1 GLN A 90 8.527 -3.142 11.754 1.00 60.01 O ATOM 1427 NE2 GLN A 90 8.433 -5.379 11.929 1.00 74.44 N ATOM 0 H GLN A 90 6.358 -4.486 7.172 1.00 30.21 H new ATOM 0 HA GLN A 90 8.554 -4.372 9.115 1.00 41.31 H new ATOM 0 HB2 GLN A 90 5.692 -5.138 9.088 1.00 21.41 H new ATOM 0 HB3 GLN A 90 6.713 -6.228 10.006 1.00 21.41 H new ATOM 0 HG2 GLN A 90 6.404 -3.237 10.417 1.00 52.15 H new ATOM 0 HG3 GLN A 90 5.833 -4.511 11.476 1.00 52.15 H new ATOM 0 HE21 GLN A 90 7.921 -6.237 11.725 1.00 74.44 H new ATOM 0 HE22 GLN A 90 9.316 -5.421 12.437 1.00 74.44 H new ATOM 1436 N ARG A 91 8.577 -6.487 6.911 1.00 3.41 N ATOM 1437 CA ARG A 91 9.156 -7.717 6.384 1.00 14.31 C ATOM 1438 C ARG A 91 8.271 -8.916 6.708 1.00 32.31 C ATOM 1439 O ARG A 91 8.739 -9.915 7.256 1.00 53.14 O ATOM 1440 CB ARG A 91 10.557 -7.933 6.957 1.00 3.05 C ATOM 1441 CG ARG A 91 11.459 -6.715 6.836 1.00 24.45 C ATOM 1442 CD ARG A 91 12.676 -7.007 5.972 1.00 12.31 C ATOM 1443 NE ARG A 91 13.683 -5.955 6.072 1.00 44.31 N ATOM 1444 CZ ARG A 91 14.719 -5.849 5.246 1.00 13.41 C ATOM 1445 NH1 ARG A 91 14.881 -6.725 4.265 1.00 24.21 N ATOM 1446 NH2 ARG A 91 15.594 -4.863 5.402 1.00 53.44 N ATOM 0 H ARG A 91 8.327 -5.800 6.200 1.00 3.41 H new ATOM 0 HA ARG A 91 9.226 -7.621 5.300 1.00 14.31 H new ATOM 0 HB2 ARG A 91 10.472 -8.209 8.008 1.00 3.05 H new ATOM 0 HB3 ARG A 91 11.025 -8.773 6.444 1.00 3.05 H new ATOM 0 HG2 ARG A 91 10.897 -5.886 6.406 1.00 24.45 H new ATOM 0 HG3 ARG A 91 11.783 -6.401 7.828 1.00 24.45 H new ATOM 0 HD2 ARG A 91 13.115 -7.958 6.273 1.00 12.31 H new ATOM 0 HD3 ARG A 91 12.365 -7.114 4.933 1.00 12.31 H new ATOM 0 HE ARG A 91 13.586 -5.264 6.816 1.00 44.31 H new ATOM 0 HH11 ARG A 91 14.210 -7.483 4.142 1.00 24.21 H new ATOM 0 HH12 ARG A 91 15.677 -6.641 3.633 1.00 24.21 H new ATOM 0 HH21 ARG A 91 15.471 -4.187 6.156 1.00 53.44 H new ATOM 0 HH22 ARG A 91 16.389 -4.782 4.768 1.00 53.44 H new ATOM 1460 N ILE A 92 6.990 -8.811 6.367 1.00 24.10 N ATOM 1461 CA ILE A 92 6.042 -9.887 6.622 1.00 53.21 C ATOM 1462 C ILE A 92 5.303 -10.281 5.348 1.00 53.34 C ATOM 1463 O ILE A 92 4.822 -9.424 4.606 1.00 0.40 O ATOM 1464 CB ILE A 92 5.012 -9.487 7.696 1.00 65.51 C ATOM 1465 CG1 ILE A 92 5.723 -8.960 8.944 1.00 22.41 C ATOM 1466 CG2 ILE A 92 4.125 -10.672 8.046 1.00 71.24 C ATOM 1467 CD1 ILE A 92 4.777 -8.529 10.042 1.00 31.44 C ATOM 0 H ILE A 92 6.586 -7.991 5.914 1.00 24.10 H new ATOM 0 HA ILE A 92 6.620 -10.738 6.983 1.00 53.21 H new ATOM 0 HB ILE A 92 4.382 -8.692 7.297 1.00 65.51 H new ATOM 0 HG12 ILE A 92 6.385 -9.735 9.330 1.00 22.41 H new ATOM 0 HG13 ILE A 92 6.351 -8.114 8.664 1.00 22.41 H new ATOM 0 HG21 ILE A 92 3.403 -10.374 8.806 1.00 71.24 H new ATOM 0 HG22 ILE A 92 3.596 -11.006 7.154 1.00 71.24 H new ATOM 0 HG23 ILE A 92 4.740 -11.486 8.430 1.00 71.24 H new ATOM 0 HD11 ILE A 92 5.351 -8.167 10.895 1.00 31.44 H new ATOM 0 HD12 ILE A 92 4.132 -7.731 9.674 1.00 31.44 H new ATOM 0 HD13 ILE A 92 4.166 -9.378 10.350 1.00 31.44 H new ATOM 1479 N ASP A 93 5.215 -11.583 5.101 1.00 74.44 N ATOM 1480 CA ASP A 93 4.531 -12.092 3.917 1.00 13.03 C ATOM 1481 C ASP A 93 3.100 -12.501 4.250 1.00 53.23 C ATOM 1482 O ASP A 93 2.872 -13.416 5.041 1.00 44.04 O ATOM 1483 CB ASP A 93 5.293 -13.284 3.335 1.00 71.32 C ATOM 1484 CG ASP A 93 4.886 -13.591 1.908 1.00 52.32 C ATOM 1485 OD1 ASP A 93 5.023 -12.697 1.047 1.00 43.23 O ATOM 1486 OD2 ASP A 93 4.427 -14.724 1.651 1.00 45.35 O ATOM 0 H ASP A 93 5.608 -12.305 5.704 1.00 74.44 H new ATOM 0 HA ASP A 93 4.498 -11.294 3.175 1.00 13.03 H new ATOM 0 HB2 ASP A 93 6.363 -13.079 3.368 1.00 71.32 H new ATOM 0 HB3 ASP A 93 5.118 -14.162 3.957 1.00 71.32 H new ATOM 1491 N VAL A 94 2.137 -11.815 3.641 1.00 34.22 N ATOM 1492 CA VAL A 94 0.727 -12.107 3.872 1.00 4.34 C ATOM 1493 C VAL A 94 0.132 -12.897 2.713 1.00 52.45 C ATOM 1494 O VAL A 94 0.366 -12.580 1.545 1.00 33.23 O ATOM 1495 CB VAL A 94 -0.088 -10.815 4.071 1.00 3.21 C ATOM 1496 CG1 VAL A 94 0.471 -10.005 5.230 1.00 11.15 C ATOM 1497 CG2 VAL A 94 -0.102 -9.992 2.792 1.00 44.10 C ATOM 0 H VAL A 94 2.308 -11.054 2.984 1.00 34.22 H new ATOM 0 HA VAL A 94 0.673 -12.706 4.781 1.00 4.34 H new ATOM 0 HB VAL A 94 -1.116 -11.087 4.312 1.00 3.21 H new ATOM 0 HG11 VAL A 94 -0.117 -9.096 5.356 1.00 11.15 H new ATOM 0 HG12 VAL A 94 0.424 -10.597 6.144 1.00 11.15 H new ATOM 0 HG13 VAL A 94 1.508 -9.740 5.022 1.00 11.15 H new ATOM 0 HG21 VAL A 94 -0.682 -9.083 2.951 1.00 44.10 H new ATOM 0 HG22 VAL A 94 0.919 -9.728 2.518 1.00 44.10 H new ATOM 0 HG23 VAL A 94 -0.553 -10.575 1.989 1.00 44.10 H new ATOM 1507 N LYS A 95 -0.640 -13.928 3.040 1.00 32.12 N ATOM 1508 CA LYS A 95 -1.272 -14.764 2.026 1.00 3.10 C ATOM 1509 C LYS A 95 -2.474 -14.057 1.410 1.00 14.40 C ATOM 1510 O LYS A 95 -2.888 -14.374 0.295 1.00 15.21 O ATOM 1511 CB LYS A 95 -1.709 -16.098 2.636 1.00 40.11 C ATOM 1512 CG LYS A 95 -1.127 -17.309 1.929 1.00 64.35 C ATOM 1513 CD LYS A 95 0.391 -17.325 2.006 1.00 41.34 C ATOM 1514 CE LYS A 95 1.021 -17.062 0.646 1.00 74.44 C ATOM 1515 NZ LYS A 95 2.137 -16.080 0.732 1.00 63.44 N ATOM 0 H LYS A 95 -0.843 -14.205 4.000 1.00 32.12 H new ATOM 0 HA LYS A 95 -0.541 -14.953 1.239 1.00 3.10 H new ATOM 0 HB2 LYS A 95 -1.413 -16.123 3.685 1.00 40.11 H new ATOM 0 HB3 LYS A 95 -2.797 -16.161 2.610 1.00 40.11 H new ATOM 0 HG2 LYS A 95 -1.524 -18.219 2.378 1.00 64.35 H new ATOM 0 HG3 LYS A 95 -1.439 -17.306 0.885 1.00 64.35 H new ATOM 0 HD2 LYS A 95 0.728 -16.570 2.716 1.00 41.34 H new ATOM 0 HD3 LYS A 95 0.727 -18.291 2.383 1.00 41.34 H new ATOM 0 HE2 LYS A 95 1.393 -17.999 0.231 1.00 74.44 H new ATOM 0 HE3 LYS A 95 0.261 -16.689 -0.040 1.00 74.44 H new ATOM 0 HZ1 LYS A 95 2.728 -16.151 -0.121 1.00 63.44 H new ATOM 0 HZ2 LYS A 95 1.748 -15.118 0.805 1.00 63.44 H new ATOM 0 HZ3 LYS A 95 2.715 -16.284 1.572 1.00 63.44 H new ATOM 1529 N ASP A 96 -3.029 -13.096 2.141 1.00 62.23 N ATOM 1530 CA ASP A 96 -4.183 -12.342 1.664 1.00 20.24 C ATOM 1531 C ASP A 96 -4.520 -11.203 2.622 1.00 72.12 C ATOM 1532 O ASP A 96 -3.857 -11.019 3.644 1.00 73.34 O ATOM 1533 CB ASP A 96 -5.391 -13.265 1.505 1.00 71.14 C ATOM 1534 CG ASP A 96 -5.547 -14.223 2.669 1.00 41.22 C ATOM 1535 OD1 ASP A 96 -6.053 -13.793 3.727 1.00 24.22 O ATOM 1536 OD2 ASP A 96 -5.165 -15.402 2.522 1.00 62.31 O ATOM 0 H ASP A 96 -2.698 -12.821 3.066 1.00 62.23 H new ATOM 0 HA ASP A 96 -3.932 -11.915 0.693 1.00 20.24 H new ATOM 0 HB2 ASP A 96 -6.295 -12.663 1.411 1.00 71.14 H new ATOM 0 HB3 ASP A 96 -5.290 -13.834 0.581 1.00 71.14 H new ATOM 1541 N THR A 97 -5.555 -10.440 2.285 1.00 72.44 N ATOM 1542 CA THR A 97 -5.979 -9.318 3.112 1.00 33.11 C ATOM 1543 C THR A 97 -6.184 -9.749 4.560 1.00 53.31 C ATOM 1544 O THR A 97 -5.542 -9.226 5.471 1.00 62.30 O ATOM 1545 CB THR A 97 -7.285 -8.693 2.585 1.00 71.34 C ATOM 1546 OG1 THR A 97 -7.072 -8.138 1.282 1.00 22.03 O ATOM 1547 CG2 THR A 97 -7.786 -7.609 3.528 1.00 22.31 C ATOM 0 H THR A 97 -6.115 -10.579 1.444 1.00 72.44 H new ATOM 0 HA THR A 97 -5.184 -8.574 3.066 1.00 33.11 H new ATOM 0 HB THR A 97 -8.039 -9.478 2.526 1.00 71.34 H new ATOM 0 HG1 THR A 97 -7.794 -8.422 0.683 1.00 22.03 H new ATOM 0 HG21 THR A 97 -8.709 -7.183 3.135 1.00 22.31 H new ATOM 0 HG22 THR A 97 -7.976 -8.041 4.511 1.00 22.31 H new ATOM 0 HG23 THR A 97 -7.033 -6.826 3.615 1.00 22.31 H new ATOM 1555 N LYS A 98 -7.082 -10.706 4.766 1.00 44.01 N ATOM 1556 CA LYS A 98 -7.370 -11.210 6.103 1.00 34.44 C ATOM 1557 C LYS A 98 -6.098 -11.699 6.787 1.00 70.21 C ATOM 1558 O LYS A 98 -5.786 -11.289 7.904 1.00 2.30 O ATOM 1559 CB LYS A 98 -8.393 -12.346 6.033 1.00 21.41 C ATOM 1560 CG LYS A 98 -8.877 -12.814 7.395 1.00 63.21 C ATOM 1561 CD LYS A 98 -8.089 -14.018 7.882 1.00 21.30 C ATOM 1562 CE LYS A 98 -8.892 -15.303 7.745 1.00 43.13 C ATOM 1563 NZ LYS A 98 -8.184 -16.466 8.348 1.00 73.44 N ATOM 0 H LYS A 98 -7.623 -11.148 4.023 1.00 44.01 H new ATOM 0 HA LYS A 98 -7.785 -10.391 6.690 1.00 34.44 H new ATOM 0 HB2 LYS A 98 -9.250 -12.016 5.446 1.00 21.41 H new ATOM 0 HB3 LYS A 98 -7.950 -13.190 5.504 1.00 21.41 H new ATOM 0 HG2 LYS A 98 -8.783 -12.001 8.115 1.00 63.21 H new ATOM 0 HG3 LYS A 98 -9.935 -13.069 7.338 1.00 63.21 H new ATOM 0 HD2 LYS A 98 -7.164 -14.103 7.312 1.00 21.30 H new ATOM 0 HD3 LYS A 98 -7.808 -13.873 8.925 1.00 21.30 H new ATOM 0 HE2 LYS A 98 -9.862 -15.178 8.227 1.00 43.13 H new ATOM 0 HE3 LYS A 98 -9.083 -15.501 6.690 1.00 43.13 H new ATOM 0 HZ1 LYS A 98 -8.763 -17.322 8.234 1.00 73.44 H new ATOM 0 HZ2 LYS A 98 -7.270 -16.601 7.871 1.00 73.44 H new ATOM 0 HZ3 LYS A 98 -8.024 -16.288 9.360 1.00 73.44 H new ATOM 1577 N GLU A 99 -5.367 -12.578 6.108 1.00 41.11 N ATOM 1578 CA GLU A 99 -4.127 -13.121 6.651 1.00 61.42 C ATOM 1579 C GLU A 99 -3.295 -12.025 7.310 1.00 73.31 C ATOM 1580 O GLU A 99 -2.732 -12.221 8.387 1.00 54.52 O ATOM 1581 CB GLU A 99 -3.315 -13.799 5.546 1.00 63.44 C ATOM 1582 CG GLU A 99 -2.537 -15.015 6.021 1.00 72.32 C ATOM 1583 CD GLU A 99 -3.346 -16.295 5.935 1.00 5.54 C ATOM 1584 OE1 GLU A 99 -3.435 -16.866 4.828 1.00 31.12 O ATOM 1585 OE2 GLU A 99 -3.889 -16.725 6.974 1.00 65.52 O ATOM 0 H GLU A 99 -5.612 -12.929 5.182 1.00 41.11 H new ATOM 0 HA GLU A 99 -4.385 -13.861 7.408 1.00 61.42 H new ATOM 0 HB2 GLU A 99 -3.989 -14.100 4.744 1.00 63.44 H new ATOM 0 HB3 GLU A 99 -2.619 -13.075 5.122 1.00 63.44 H new ATOM 0 HG2 GLU A 99 -1.633 -15.120 5.422 1.00 72.32 H new ATOM 0 HG3 GLU A 99 -2.220 -14.859 7.052 1.00 72.32 H new ATOM 1592 N ALA A 100 -3.221 -10.871 6.655 1.00 53.32 N ATOM 1593 CA ALA A 100 -2.460 -9.743 7.177 1.00 62.22 C ATOM 1594 C ALA A 100 -2.965 -9.331 8.555 1.00 71.22 C ATOM 1595 O ALA A 100 -2.181 -9.163 9.490 1.00 65.01 O ATOM 1596 CB ALA A 100 -2.531 -8.568 6.213 1.00 51.31 C ATOM 0 H ALA A 100 -3.679 -10.693 5.761 1.00 53.32 H new ATOM 0 HA ALA A 100 -1.420 -10.053 7.278 1.00 62.22 H new ATOM 0 HB1 ALA A 100 -1.958 -7.732 6.615 1.00 51.31 H new ATOM 0 HB2 ALA A 100 -2.115 -8.862 5.249 1.00 51.31 H new ATOM 0 HB3 ALA A 100 -3.570 -8.266 6.083 1.00 51.31 H new ATOM 1602 N LEU A 101 -4.277 -9.168 8.674 1.00 14.03 N ATOM 1603 CA LEU A 101 -4.888 -8.775 9.940 1.00 41.23 C ATOM 1604 C LEU A 101 -4.544 -9.770 11.044 1.00 43.03 C ATOM 1605 O LEU A 101 -3.913 -9.415 12.039 1.00 2.32 O ATOM 1606 CB LEU A 101 -6.406 -8.671 9.787 1.00 42.35 C ATOM 1607 CG LEU A 101 -6.905 -7.815 8.622 1.00 52.50 C ATOM 1608 CD1 LEU A 101 -8.389 -8.050 8.384 1.00 72.52 C ATOM 1609 CD2 LEU A 101 -6.635 -6.341 8.887 1.00 23.51 C ATOM 0 H LEU A 101 -4.939 -9.302 7.910 1.00 14.03 H new ATOM 0 HA LEU A 101 -4.490 -7.799 10.219 1.00 41.23 H new ATOM 0 HB2 LEU A 101 -6.809 -9.677 9.672 1.00 42.35 H new ATOM 0 HB3 LEU A 101 -6.818 -8.266 10.712 1.00 42.35 H new ATOM 0 HG LEU A 101 -6.361 -8.108 7.724 1.00 52.50 H new ATOM 0 HD11 LEU A 101 -8.726 -7.433 7.551 1.00 72.52 H new ATOM 0 HD12 LEU A 101 -8.558 -9.101 8.148 1.00 72.52 H new ATOM 0 HD13 LEU A 101 -8.948 -7.785 9.282 1.00 72.52 H new ATOM 0 HD21 LEU A 101 -6.997 -5.748 8.047 1.00 23.51 H new ATOM 0 HD22 LEU A 101 -7.151 -6.034 9.797 1.00 23.51 H new ATOM 0 HD23 LEU A 101 -5.563 -6.183 9.007 1.00 23.51 H new ATOM 1621 N ASP A 102 -4.961 -11.017 10.858 1.00 20.52 N ATOM 1622 CA ASP A 102 -4.695 -12.066 11.836 1.00 25.15 C ATOM 1623 C ASP A 102 -3.195 -12.224 12.068 1.00 35.40 C ATOM 1624 O ASP A 102 -2.768 -12.813 13.062 1.00 74.13 O ATOM 1625 CB ASP A 102 -5.294 -13.393 11.369 1.00 70.13 C ATOM 1626 CG ASP A 102 -5.550 -14.349 12.517 1.00 24.13 C ATOM 1627 OD1 ASP A 102 -4.576 -14.734 13.196 1.00 22.43 O ATOM 1628 OD2 ASP A 102 -6.724 -14.713 12.737 1.00 55.15 O ATOM 0 H ASP A 102 -5.485 -11.327 10.039 1.00 20.52 H new ATOM 0 HA ASP A 102 -5.162 -11.778 12.778 1.00 25.15 H new ATOM 0 HB2 ASP A 102 -6.230 -13.201 10.844 1.00 70.13 H new ATOM 0 HB3 ASP A 102 -4.618 -13.862 10.654 1.00 70.13 H new ATOM 1633 N LYS A 103 -2.400 -11.696 11.145 1.00 51.41 N ATOM 1634 CA LYS A 103 -0.948 -11.778 11.248 1.00 42.35 C ATOM 1635 C LYS A 103 -0.405 -10.684 12.162 1.00 41.22 C ATOM 1636 O LYS A 103 0.299 -10.967 13.133 1.00 35.20 O ATOM 1637 CB LYS A 103 -0.311 -11.660 9.861 1.00 64.01 C ATOM 1638 CG LYS A 103 -0.069 -13.000 9.187 1.00 20.34 C ATOM 1639 CD LYS A 103 1.017 -13.792 9.895 1.00 21.11 C ATOM 1640 CE LYS A 103 1.377 -15.054 9.125 1.00 2.45 C ATOM 1641 NZ LYS A 103 2.722 -14.953 8.494 1.00 22.50 N ATOM 0 H LYS A 103 -2.737 -11.206 10.316 1.00 51.41 H new ATOM 0 HA LYS A 103 -0.693 -12.747 11.678 1.00 42.35 H new ATOM 0 HB2 LYS A 103 -0.956 -11.054 9.225 1.00 64.01 H new ATOM 0 HB3 LYS A 103 0.638 -11.131 9.950 1.00 64.01 H new ATOM 0 HG2 LYS A 103 -0.994 -13.576 9.179 1.00 20.34 H new ATOM 0 HG3 LYS A 103 0.216 -12.839 8.147 1.00 20.34 H new ATOM 0 HD2 LYS A 103 1.905 -13.170 10.012 1.00 21.11 H new ATOM 0 HD3 LYS A 103 0.680 -14.059 10.897 1.00 21.11 H new ATOM 0 HE2 LYS A 103 1.356 -15.910 9.800 1.00 2.45 H new ATOM 0 HE3 LYS A 103 0.627 -15.236 8.355 1.00 2.45 H new ATOM 0 HZ1 LYS A 103 2.931 -15.832 7.979 1.00 22.50 H new ATOM 0 HZ2 LYS A 103 2.735 -14.152 7.831 1.00 22.50 H new ATOM 0 HZ3 LYS A 103 3.441 -14.805 9.231 1.00 22.50 H new