USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 94 CYS SG : rot -123:sc= -0.261 USER MOD Set 1.2: A 99 HIS : no HD1:sc= -0.294 X(o=-0.56,f=-0.85) USER MOD Set 2.1: A 60 LYS NZ :NH3+ 146:sc= 0.383 (180deg=-1.62!) USER MOD Set 2.2: A 63 SER OG : rot -160:sc= 0.603 USER MOD Set 3.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 63:sc= 0.107 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 22 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-2.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.952 K(o=-0.95,f=-3.7!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -146:sc= 0.29 USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= -0.0672 (180deg=-0.397) USER MOD Single : A 44 MET CE :methyl -176:sc= -2.91! (180deg=-3.03!) USER MOD Single : A 50 ASN : amide:sc=-0.00382 X(o=-0.0038,f=-0.14) USER MOD Single : A 52 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.41) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00618 USER MOD Single : A 68 MET CE :methyl -139:sc= 0 (180deg=-0.00837) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.383) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 102:sc= 0.215 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= -3.08! USER MOD Single : A 84 LYS NZ :NH3+ -139:sc=-0.00783 (180deg=-1.07) USER MOD Single : A 89 TYR OH : rot 1:sc= 1.17 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 103 SER OG : rot -143:sc= 0.207 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0796 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.544 22.276 3.902 1.00 0.00 N ATOM 67 CA GLU A 8 2.217 20.986 3.996 1.00 0.00 C ATOM 68 C GLU A 8 1.329 19.868 3.457 1.00 0.00 C ATOM 69 O GLU A 8 0.224 20.116 2.973 1.00 0.00 O ATOM 70 CB GLU A 8 2.602 20.691 5.447 1.00 0.00 C ATOM 71 CG GLU A 8 3.424 21.793 6.094 1.00 0.00 C ATOM 72 CD GLU A 8 4.329 21.275 7.196 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.802 20.125 7.084 1.00 0.00 O ATOM 74 OE2 GLU A 8 4.564 22.021 8.169 1.00 0.00 O ATOM 0 HA GLU A 8 3.122 21.032 3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.695 20.536 6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.167 19.759 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.030 22.284 5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.754 22.548 6.504 1.00 0.00 H new ATOM 81 N VAL A 9 1.820 18.636 3.543 1.00 0.00 N ATOM 82 CA VAL A 9 1.072 17.480 3.065 1.00 0.00 C ATOM 83 C VAL A 9 0.201 16.893 4.171 1.00 0.00 C ATOM 84 O VAL A 9 0.554 16.949 5.349 1.00 0.00 O ATOM 85 CB VAL A 9 2.013 16.383 2.532 1.00 0.00 C ATOM 86 CG1 VAL A 9 2.869 15.821 3.656 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.215 15.279 1.855 1.00 0.00 C ATOM 0 H VAL A 9 2.733 18.413 3.939 1.00 0.00 H new ATOM 0 HA VAL A 9 0.436 17.829 2.252 1.00 0.00 H new ATOM 0 HB VAL A 9 2.677 16.827 1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.527 15.047 3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.469 16.620 4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.225 15.392 4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.896 14.513 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.526 14.835 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.651 15.697 1.021 1.00 0.00 H new ATOM 97 N ASP A 10 -0.937 16.329 3.783 1.00 0.00 N ATOM 98 CA ASP A 10 -1.859 15.730 4.742 1.00 0.00 C ATOM 99 C ASP A 10 -2.212 14.302 4.336 1.00 0.00 C ATOM 100 O ASP A 10 -2.522 14.018 3.179 1.00 0.00 O ATOM 101 CB ASP A 10 -3.131 16.571 4.852 1.00 0.00 C ATOM 102 CG ASP A 10 -3.766 16.483 6.227 1.00 0.00 C ATOM 103 OD1 ASP A 10 -3.029 16.600 7.229 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.998 16.298 6.300 1.00 0.00 O ATOM 0 H ASP A 10 -1.244 16.274 2.812 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.367 15.702 5.714 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.895 17.612 4.630 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.849 16.239 4.102 1.00 0.00 H new ATOM 109 N PRO A 11 -2.163 13.381 5.310 1.00 0.00 N ATOM 110 CA PRO A 11 -2.474 11.967 5.078 1.00 0.00 C ATOM 111 C PRO A 11 -3.955 11.737 4.801 1.00 0.00 C ATOM 112 O PRO A 11 -4.319 11.085 3.823 1.00 0.00 O ATOM 113 CB PRO A 11 -2.065 11.295 6.391 1.00 0.00 C ATOM 114 CG PRO A 11 -2.166 12.371 7.416 1.00 0.00 C ATOM 115 CD PRO A 11 -1.801 13.649 6.712 1.00 0.00 C ATOM 0 HA PRO A 11 -1.957 11.574 4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.722 10.459 6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.052 10.897 6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.174 12.426 7.826 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.492 12.179 8.251 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.351 14.500 7.113 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.740 13.877 6.817 1.00 0.00 H new ATOM 123 N ALA A 12 -4.806 12.278 5.667 1.00 0.00 N ATOM 124 CA ALA A 12 -6.248 12.133 5.513 1.00 0.00 C ATOM 125 C ALA A 12 -6.693 12.530 4.110 1.00 0.00 C ATOM 126 O ALA A 12 -7.747 12.104 3.638 1.00 0.00 O ATOM 127 CB ALA A 12 -6.976 12.969 6.555 1.00 0.00 C ATOM 0 H ALA A 12 -4.521 12.821 6.482 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.501 11.083 5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.052 12.851 6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.689 12.637 7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.709 14.018 6.431 1.00 0.00 H new ATOM 133 N LYS A 13 -5.883 13.348 3.446 1.00 0.00 N ATOM 134 CA LYS A 13 -6.192 13.802 2.096 1.00 0.00 C ATOM 135 C LYS A 13 -5.549 12.891 1.055 1.00 0.00 C ATOM 136 O LYS A 13 -6.084 12.708 -0.039 1.00 0.00 O ATOM 137 CB LYS A 13 -5.710 15.241 1.896 1.00 0.00 C ATOM 138 CG LYS A 13 -6.143 16.186 3.004 1.00 0.00 C ATOM 139 CD LYS A 13 -7.539 16.732 2.758 1.00 0.00 C ATOM 140 CE LYS A 13 -8.603 15.843 3.383 1.00 0.00 C ATOM 141 NZ LYS A 13 -8.908 16.244 4.785 1.00 0.00 N ATOM 0 H LYS A 13 -5.007 13.710 3.822 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.274 13.766 1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.622 15.245 1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.088 15.613 0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.119 15.662 3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.436 17.012 3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.615 17.738 3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.715 16.813 1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.513 15.891 2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.266 14.807 3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.638 15.614 5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.045 16.174 5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.254 17.225 4.798 1.00 0.00 H new ATOM 155 N CYS A 14 -4.401 12.321 1.403 1.00 0.00 N ATOM 156 CA CYS A 14 -3.685 11.428 0.499 1.00 0.00 C ATOM 157 C CYS A 14 -4.596 10.307 0.009 1.00 0.00 C ATOM 158 O CYS A 14 -5.469 9.837 0.739 1.00 0.00 O ATOM 159 CB CYS A 14 -2.459 10.837 1.196 1.00 0.00 C ATOM 160 SG CYS A 14 -1.079 11.993 1.367 1.00 0.00 S ATOM 0 H CYS A 14 -3.946 12.461 2.305 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.358 12.010 -0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.751 10.487 2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.121 9.965 0.636 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.439 12.990 2.119 1.00 0.00 H new ATOM 166 N VAL A 15 -4.388 9.882 -1.234 1.00 0.00 N ATOM 167 CA VAL A 15 -5.190 8.816 -1.822 1.00 0.00 C ATOM 168 C VAL A 15 -4.305 7.737 -2.436 1.00 0.00 C ATOM 169 O VAL A 15 -3.083 7.879 -2.492 1.00 0.00 O ATOM 170 CB VAL A 15 -6.141 9.362 -2.904 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.465 9.787 -2.287 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.493 10.520 -3.647 1.00 0.00 C ATOM 0 H VAL A 15 -3.671 10.260 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.780 8.381 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.342 8.567 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.123 10.170 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.934 8.929 -1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.288 10.567 -1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.179 10.893 -4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.261 11.320 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.574 10.178 -4.123 1.00 0.00 H new ATOM 182 N LEU A 16 -4.930 6.659 -2.895 1.00 0.00 N ATOM 183 CA LEU A 16 -4.199 5.553 -3.506 1.00 0.00 C ATOM 184 C LEU A 16 -4.784 5.203 -4.870 1.00 0.00 C ATOM 185 O LEU A 16 -5.994 5.290 -5.078 1.00 0.00 O ATOM 186 CB LEU A 16 -4.233 4.327 -2.593 1.00 0.00 C ATOM 187 CG LEU A 16 -3.789 4.553 -1.147 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.501 3.588 -0.212 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.280 4.402 -1.024 1.00 0.00 C ATOM 0 H LEU A 16 -5.941 6.526 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.164 5.865 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.250 3.935 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.599 3.556 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.058 5.569 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.172 3.764 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.578 3.744 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.264 2.563 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.981 4.566 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.989 3.398 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.788 5.134 -1.664 1.00 0.00 H new ATOM 201 N GLN A 17 -3.917 4.804 -5.795 1.00 0.00 N ATOM 202 CA GLN A 17 -4.349 4.438 -7.139 1.00 0.00 C ATOM 203 C GLN A 17 -4.109 2.955 -7.403 1.00 0.00 C ATOM 204 O GLN A 17 -3.069 2.409 -7.036 1.00 0.00 O ATOM 205 CB GLN A 17 -3.611 5.280 -8.181 1.00 0.00 C ATOM 206 CG GLN A 17 -4.161 6.689 -8.326 1.00 0.00 C ATOM 207 CD GLN A 17 -5.267 6.781 -9.358 1.00 0.00 C ATOM 208 OE1 GLN A 17 -5.919 5.786 -9.676 1.00 0.00 O ATOM 209 NE2 GLN A 17 -5.485 7.979 -9.888 1.00 0.00 N ATOM 0 H GLN A 17 -2.912 4.726 -5.639 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.419 4.633 -7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.557 5.337 -7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.665 4.777 -9.146 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.540 7.028 -7.362 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.352 7.364 -8.605 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.921 8.777 -9.595 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.217 8.102 -10.588 1.00 0.00 H new ATOM 218 N GLY A 18 -5.079 2.308 -8.042 1.00 0.00 N ATOM 219 CA GLY A 18 -4.954 0.894 -8.344 1.00 0.00 C ATOM 220 C GLY A 18 -6.282 0.166 -8.271 1.00 0.00 C ATOM 221 O GLY A 18 -7.047 0.352 -7.325 1.00 0.00 O ATOM 0 H GLY A 18 -5.949 2.738 -8.356 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.532 0.775 -9.342 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.254 0.437 -7.645 1.00 0.00 H new ATOM 225 N GLU A 19 -6.556 -0.663 -9.273 1.00 0.00 N ATOM 226 CA GLU A 19 -7.802 -1.419 -9.319 1.00 0.00 C ATOM 227 C GLU A 19 -7.718 -2.660 -8.436 1.00 0.00 C ATOM 228 O GLU A 19 -8.632 -2.947 -7.662 1.00 0.00 O ATOM 229 CB GLU A 19 -8.126 -1.825 -10.759 1.00 0.00 C ATOM 230 CG GLU A 19 -8.830 -0.738 -11.554 1.00 0.00 C ATOM 231 CD GLU A 19 -8.545 -0.825 -13.041 1.00 0.00 C ATOM 232 OE1 GLU A 19 -7.517 -1.427 -13.414 1.00 0.00 O ATOM 233 OE2 GLU A 19 -9.352 -0.292 -13.831 1.00 0.00 O ATOM 0 H GLU A 19 -5.933 -0.828 -10.063 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.599 -0.779 -8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.201 -2.095 -11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.753 -2.716 -10.744 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.905 -0.811 -11.389 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.516 0.238 -11.184 1.00 0.00 H new ATOM 240 N ASP A 20 -6.617 -3.392 -8.558 1.00 0.00 N ATOM 241 CA ASP A 20 -6.412 -4.603 -7.771 1.00 0.00 C ATOM 242 C ASP A 20 -5.708 -4.284 -6.456 1.00 0.00 C ATOM 243 O ASP A 20 -4.793 -4.996 -6.040 1.00 0.00 O ATOM 244 CB ASP A 20 -5.595 -5.622 -8.567 1.00 0.00 C ATOM 245 CG ASP A 20 -4.189 -5.137 -8.858 1.00 0.00 C ATOM 246 OD1 ASP A 20 -4.008 -4.404 -9.853 1.00 0.00 O ATOM 247 OD2 ASP A 20 -3.268 -5.491 -8.091 1.00 0.00 O ATOM 0 H ASP A 20 -5.852 -3.168 -9.194 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.389 -5.029 -7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.545 -6.558 -8.010 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.104 -5.837 -9.507 1.00 0.00 H new ATOM 252 N LEU A 21 -6.139 -3.208 -5.806 1.00 0.00 N ATOM 253 CA LEU A 21 -5.549 -2.793 -4.538 1.00 0.00 C ATOM 254 C LEU A 21 -6.053 -3.665 -3.392 1.00 0.00 C ATOM 255 O LEU A 21 -5.277 -4.096 -2.538 1.00 0.00 O ATOM 256 CB LEU A 21 -5.875 -1.325 -4.258 1.00 0.00 C ATOM 257 CG LEU A 21 -4.880 -0.301 -4.805 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.482 1.095 -4.776 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.582 -0.341 -4.011 1.00 0.00 C ATOM 0 H LEU A 21 -6.895 -2.608 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.468 -2.911 -4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.858 -1.106 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.949 -1.189 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.656 -0.557 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.760 1.811 -5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.383 1.115 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.735 1.361 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.886 0.394 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.788 -0.111 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.142 -1.335 -4.083 1.00 0.00 H new ATOM 271 N HIS A 22 -7.357 -3.924 -3.381 1.00 0.00 N ATOM 272 CA HIS A 22 -7.964 -4.747 -2.341 1.00 0.00 C ATOM 273 C HIS A 22 -7.963 -6.219 -2.744 1.00 0.00 C ATOM 274 O HIS A 22 -8.746 -7.015 -2.225 1.00 0.00 O ATOM 275 CB HIS A 22 -9.394 -4.283 -2.063 1.00 0.00 C ATOM 276 CG HIS A 22 -9.480 -3.180 -1.053 1.00 0.00 C ATOM 277 ND1 HIS A 22 -9.980 -3.362 0.219 1.00 0.00 N ATOM 278 CD2 HIS A 22 -9.124 -1.877 -1.133 1.00 0.00 C ATOM 279 CE1 HIS A 22 -9.930 -2.218 0.877 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.414 -1.300 0.079 1.00 0.00 N ATOM 0 H HIS A 22 -8.013 -3.576 -4.080 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.372 -4.636 -1.433 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.846 -3.946 -2.996 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.981 -5.132 -1.713 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.692 -1.383 -1.991 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.256 -2.060 1.895 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.257 -0.322 0.323 1.00 0.00 H new ATOM 289 N ARG A 23 -7.081 -6.573 -3.673 1.00 0.00 N ATOM 290 CA ARG A 23 -6.980 -7.948 -4.147 1.00 0.00 C ATOM 291 C ARG A 23 -5.596 -8.223 -4.725 1.00 0.00 C ATOM 292 O ARG A 23 -4.993 -7.357 -5.358 1.00 0.00 O ATOM 293 CB ARG A 23 -8.051 -8.225 -5.203 1.00 0.00 C ATOM 294 CG ARG A 23 -8.170 -9.693 -5.580 1.00 0.00 C ATOM 295 CD ARG A 23 -9.599 -10.059 -5.948 1.00 0.00 C ATOM 296 NE ARG A 23 -10.565 -9.530 -4.989 1.00 0.00 N ATOM 297 CZ ARG A 23 -11.869 -9.450 -5.228 1.00 0.00 C ATOM 298 NH1 ARG A 23 -12.361 -9.863 -6.388 1.00 0.00 N ATOM 299 NH2 ARG A 23 -12.685 -8.957 -4.305 1.00 0.00 N ATOM 0 H ARG A 23 -6.426 -5.926 -4.112 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.138 -8.612 -3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.014 -7.875 -4.832 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.825 -7.646 -6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.510 -9.909 -6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.838 -10.312 -4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.827 -9.674 -6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.694 -11.144 -5.997 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.219 -9.204 -4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.738 -10.244 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.363 -9.800 -6.568 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.311 -8.639 -3.411 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.686 -8.896 -4.490 1.00 0.00 H new ATOM 313 N ALA A 24 -5.098 -9.436 -4.504 1.00 0.00 N ATOM 314 CA ALA A 24 -3.786 -9.826 -5.005 1.00 0.00 C ATOM 315 C ALA A 24 -3.732 -11.322 -5.294 1.00 0.00 C ATOM 316 O ALA A 24 -4.615 -12.076 -4.884 1.00 0.00 O ATOM 317 CB ALA A 24 -2.704 -9.440 -4.007 1.00 0.00 C ATOM 0 H ALA A 24 -5.584 -10.165 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.609 -9.295 -5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.729 -9.737 -4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.720 -8.361 -3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.887 -9.945 -3.058 1.00 0.00 H new ATOM 323 N ARG A 25 -2.690 -11.746 -6.002 1.00 0.00 N ATOM 324 CA ARG A 25 -2.522 -13.152 -6.348 1.00 0.00 C ATOM 325 C ARG A 25 -1.298 -13.741 -5.652 1.00 0.00 C ATOM 326 O ARG A 25 -0.318 -13.040 -5.403 1.00 0.00 O ATOM 327 CB ARG A 25 -2.388 -13.315 -7.863 1.00 0.00 C ATOM 328 CG ARG A 25 -2.236 -14.760 -8.310 1.00 0.00 C ATOM 329 CD ARG A 25 -1.786 -14.850 -9.759 1.00 0.00 C ATOM 330 NE ARG A 25 -2.766 -14.270 -10.674 1.00 0.00 N ATOM 331 CZ ARG A 25 -2.467 -13.841 -11.895 1.00 0.00 C ATOM 332 NH1 ARG A 25 -1.224 -13.927 -12.346 1.00 0.00 N ATOM 333 NH2 ARG A 25 -3.414 -13.324 -12.668 1.00 0.00 N ATOM 0 H ARG A 25 -1.949 -11.135 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.406 -13.691 -6.009 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.266 -12.885 -8.345 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.525 -12.745 -8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.512 -15.265 -7.671 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.186 -15.281 -8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.832 -14.335 -9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.618 -15.894 -10.022 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.733 -14.190 -10.358 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.493 -14.324 -11.755 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.998 -13.597 -13.284 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.372 -13.256 -12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.184 -12.995 -13.606 1.00 0.00 H new ATOM 347 N GLU A 26 -1.364 -15.031 -5.341 1.00 0.00 N ATOM 348 CA GLU A 26 -0.262 -15.713 -4.673 1.00 0.00 C ATOM 349 C GLU A 26 1.051 -15.480 -5.415 1.00 0.00 C ATOM 350 O GLU A 26 1.101 -15.529 -6.644 1.00 0.00 O ATOM 351 CB GLU A 26 -0.545 -17.213 -4.573 1.00 0.00 C ATOM 352 CG GLU A 26 0.696 -18.051 -4.316 1.00 0.00 C ATOM 353 CD GLU A 26 1.223 -17.894 -2.903 1.00 0.00 C ATOM 354 OE1 GLU A 26 1.172 -16.764 -2.374 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.687 -18.900 -2.327 1.00 0.00 O ATOM 0 H GLU A 26 -2.169 -15.625 -5.541 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.170 -15.301 -3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.262 -17.386 -3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.014 -17.548 -5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.466 -19.100 -4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.475 -17.767 -5.024 1.00 0.00 H new ATOM 362 N LYS A 27 2.114 -15.226 -4.659 1.00 0.00 N ATOM 363 CA LYS A 27 3.429 -14.987 -5.242 1.00 0.00 C ATOM 364 C LYS A 27 3.325 -14.080 -6.464 1.00 0.00 C ATOM 365 O LYS A 27 3.927 -14.352 -7.502 1.00 0.00 O ATOM 366 CB LYS A 27 4.086 -16.313 -5.632 1.00 0.00 C ATOM 367 CG LYS A 27 4.736 -17.036 -4.465 1.00 0.00 C ATOM 368 CD LYS A 27 5.421 -18.316 -4.914 1.00 0.00 C ATOM 369 CE LYS A 27 6.286 -18.902 -3.808 1.00 0.00 C ATOM 370 NZ LYS A 27 6.698 -20.301 -4.110 1.00 0.00 N ATOM 0 H LYS A 27 2.090 -15.180 -3.640 1.00 0.00 H new ATOM 0 HA LYS A 27 4.046 -14.490 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.334 -16.964 -6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.839 -16.124 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.465 -16.380 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.981 -17.270 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.670 -19.046 -5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.037 -18.113 -5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.173 -18.283 -3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.737 -18.880 -2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.286 -20.665 -3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.852 -20.897 -4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.244 -20.319 -4.995 1.00 0.00 H new ATOM 384 N GLN A 28 2.558 -13.003 -6.333 1.00 0.00 N ATOM 385 CA GLN A 28 2.376 -12.056 -7.427 1.00 0.00 C ATOM 386 C GLN A 28 2.908 -10.678 -7.048 1.00 0.00 C ATOM 387 O GLN A 28 2.815 -10.260 -5.893 1.00 0.00 O ATOM 388 CB GLN A 28 0.897 -11.960 -7.806 1.00 0.00 C ATOM 389 CG GLN A 28 0.628 -11.024 -8.973 1.00 0.00 C ATOM 390 CD GLN A 28 1.044 -11.617 -10.305 1.00 0.00 C ATOM 391 OE1 GLN A 28 2.172 -12.085 -10.464 1.00 0.00 O ATOM 392 NE2 GLN A 28 0.132 -11.602 -11.270 1.00 0.00 N ATOM 0 H GLN A 28 2.052 -12.764 -5.480 1.00 0.00 H new ATOM 0 HA GLN A 28 2.940 -12.419 -8.286 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.529 -12.955 -8.057 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.330 -11.620 -6.940 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.435 -10.783 -9.003 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.163 -10.088 -8.814 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.790 -11.204 -11.094 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.354 -11.989 -12.187 1.00 0.00 H new ATOM 401 N THR A 29 3.465 -9.974 -8.029 1.00 0.00 N ATOM 402 CA THR A 29 4.013 -8.643 -7.798 1.00 0.00 C ATOM 403 C THR A 29 2.950 -7.569 -7.999 1.00 0.00 C ATOM 404 O THR A 29 2.626 -7.207 -9.130 1.00 0.00 O ATOM 405 CB THR A 29 5.201 -8.355 -8.735 1.00 0.00 C ATOM 406 OG1 THR A 29 6.117 -9.456 -8.718 1.00 0.00 O ATOM 407 CG2 THR A 29 5.923 -7.082 -8.317 1.00 0.00 C ATOM 0 H THR A 29 3.548 -10.304 -8.991 1.00 0.00 H new ATOM 0 HA THR A 29 4.360 -8.618 -6.765 1.00 0.00 H new ATOM 0 HB THR A 29 4.814 -8.220 -9.745 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.868 -9.266 -9.318 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.758 -6.899 -8.993 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.231 -6.241 -8.359 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.298 -7.194 -7.299 1.00 0.00 H new ATOM 415 N ALA A 30 2.412 -7.062 -6.895 1.00 0.00 N ATOM 416 CA ALA A 30 1.387 -6.026 -6.950 1.00 0.00 C ATOM 417 C ALA A 30 1.963 -4.664 -6.579 1.00 0.00 C ATOM 418 O ALA A 30 2.537 -4.494 -5.503 1.00 0.00 O ATOM 419 CB ALA A 30 0.229 -6.381 -6.030 1.00 0.00 C ATOM 0 H ALA A 30 2.669 -7.352 -5.951 1.00 0.00 H new ATOM 0 HA ALA A 30 1.018 -5.968 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.529 -5.599 -6.081 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.207 -7.330 -6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.592 -6.469 -5.006 1.00 0.00 H new ATOM 425 N SER A 31 1.806 -3.696 -7.476 1.00 0.00 N ATOM 426 CA SER A 31 2.315 -2.349 -7.244 1.00 0.00 C ATOM 427 C SER A 31 1.224 -1.309 -7.479 1.00 0.00 C ATOM 428 O SER A 31 0.356 -1.484 -8.335 1.00 0.00 O ATOM 429 CB SER A 31 3.509 -2.068 -8.158 1.00 0.00 C ATOM 430 OG SER A 31 3.134 -2.135 -9.523 1.00 0.00 O ATOM 0 H SER A 31 1.331 -3.819 -8.370 1.00 0.00 H new ATOM 0 HA SER A 31 2.639 -2.283 -6.205 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.915 -1.081 -7.937 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.301 -2.790 -7.959 1.00 0.00 H new ATOM 0 HG SER A 31 3.914 -1.950 -10.086 1.00 0.00 H new ATOM 436 N PHE A 32 1.274 -0.224 -6.713 1.00 0.00 N ATOM 437 CA PHE A 32 0.291 0.845 -6.836 1.00 0.00 C ATOM 438 C PHE A 32 0.953 2.213 -6.692 1.00 0.00 C ATOM 439 O PHE A 32 2.112 2.315 -6.289 1.00 0.00 O ATOM 440 CB PHE A 32 -0.805 0.683 -5.780 1.00 0.00 C ATOM 441 CG PHE A 32 -0.273 0.424 -4.399 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.147 -0.844 -4.032 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.194 1.447 -3.469 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.637 -1.087 -2.763 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.295 1.211 -2.199 1.00 0.00 C ATOM 446 CZ PHE A 32 0.710 -0.058 -1.844 1.00 0.00 C ATOM 0 H PHE A 32 1.985 -0.062 -6.000 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.157 0.780 -7.828 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.417 1.585 -5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.458 -0.140 -6.069 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.091 -1.652 -4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.518 2.441 -3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.962 -2.080 -2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.353 2.018 -1.484 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.090 -0.245 -0.851 1.00 0.00 H new ATOM 456 N THR A 33 0.208 3.262 -7.026 1.00 0.00 N ATOM 457 CA THR A 33 0.722 4.623 -6.937 1.00 0.00 C ATOM 458 C THR A 33 0.121 5.361 -5.746 1.00 0.00 C ATOM 459 O THR A 33 -1.089 5.312 -5.519 1.00 0.00 O ATOM 460 CB THR A 33 0.428 5.420 -8.222 1.00 0.00 C ATOM 461 OG1 THR A 33 1.234 4.929 -9.299 1.00 0.00 O ATOM 462 CG2 THR A 33 0.700 6.902 -8.013 1.00 0.00 C ATOM 0 H THR A 33 -0.753 3.195 -7.361 1.00 0.00 H new ATOM 0 HA THR A 33 1.801 4.545 -6.806 1.00 0.00 H new ATOM 0 HB THR A 33 -0.626 5.291 -8.470 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.040 5.440 -10.112 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.485 7.445 -8.934 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.064 7.279 -7.213 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.746 7.045 -7.743 1.00 0.00 H new ATOM 470 N LEU A 34 0.972 6.044 -4.988 1.00 0.00 N ATOM 471 CA LEU A 34 0.524 6.793 -3.820 1.00 0.00 C ATOM 472 C LEU A 34 0.611 8.295 -4.070 1.00 0.00 C ATOM 473 O LEU A 34 1.702 8.866 -4.111 1.00 0.00 O ATOM 474 CB LEU A 34 1.363 6.418 -2.597 1.00 0.00 C ATOM 475 CG LEU A 34 1.136 7.263 -1.343 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.315 7.178 -0.897 1.00 0.00 C ATOM 477 CD2 LEU A 34 2.067 6.818 -0.224 1.00 0.00 C ATOM 0 H LEU A 34 1.976 6.094 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.518 6.535 -3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.163 5.376 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.416 6.484 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 34 1.360 8.302 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.457 7.786 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.962 7.546 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.567 6.141 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.891 7.430 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.875 5.772 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.102 6.933 -0.545 1.00 0.00 H new ATOM 489 N LEU A 35 -0.544 8.930 -4.234 1.00 0.00 N ATOM 490 CA LEU A 35 -0.599 10.368 -4.477 1.00 0.00 C ATOM 491 C LEU A 35 -0.591 11.143 -3.164 1.00 0.00 C ATOM 492 O LEU A 35 -1.130 10.683 -2.157 1.00 0.00 O ATOM 493 CB LEU A 35 -1.849 10.721 -5.284 1.00 0.00 C ATOM 494 CG LEU A 35 -2.097 9.883 -6.540 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.572 9.898 -6.909 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.250 10.394 -7.697 1.00 0.00 C ATOM 0 H LEU A 35 -1.455 8.472 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 35 0.286 10.649 -5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.717 10.627 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.784 11.769 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.807 8.853 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.729 9.297 -7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.157 9.485 -6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.889 10.923 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.439 9.787 -8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.509 11.432 -7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.195 10.330 -7.431 1.00 0.00 H new ATOM 508 N CYS A 36 0.020 12.323 -3.183 1.00 0.00 N ATOM 509 CA CYS A 36 0.096 13.163 -1.993 1.00 0.00 C ATOM 510 C CYS A 36 -0.610 14.496 -2.223 1.00 0.00 C ATOM 511 O CYS A 36 -0.329 15.201 -3.193 1.00 0.00 O ATOM 512 CB CYS A 36 1.556 13.406 -1.607 1.00 0.00 C ATOM 513 SG CYS A 36 2.439 11.916 -1.088 1.00 0.00 S ATOM 0 H CYS A 36 0.469 12.719 -4.009 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.406 12.642 -1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.077 13.847 -2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.590 14.136 -0.798 1.00 0.00 H new ATOM 0 HG CYS A 36 3.302 12.222 -0.165 1.00 0.00 H new ATOM 519 N LYS A 37 -1.530 14.834 -1.326 1.00 0.00 N ATOM 520 CA LYS A 37 -2.278 16.082 -1.430 1.00 0.00 C ATOM 521 C LYS A 37 -2.112 16.922 -0.169 1.00 0.00 C ATOM 522 O LYS A 37 -1.691 16.419 0.873 1.00 0.00 O ATOM 523 CB LYS A 37 -3.761 15.792 -1.672 1.00 0.00 C ATOM 524 CG LYS A 37 -4.069 15.331 -3.086 1.00 0.00 C ATOM 525 CD LYS A 37 -3.829 13.840 -3.251 1.00 0.00 C ATOM 526 CE LYS A 37 -4.020 13.401 -4.695 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.195 14.064 -5.325 1.00 0.00 N ATOM 0 H LYS A 37 -1.776 14.261 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.882 16.645 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.092 15.027 -0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.338 16.692 -1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.107 15.562 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.447 15.881 -3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.818 13.595 -2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.513 13.287 -2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.122 13.633 -5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.150 12.319 -4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.446 13.565 -6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.001 14.038 -4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.959 15.053 -5.545 1.00 0.00 H new ATOM 541 N ASP A 38 -2.447 18.204 -0.269 1.00 0.00 N ATOM 542 CA ASP A 38 -2.337 19.114 0.865 1.00 0.00 C ATOM 543 C ASP A 38 -3.585 19.045 1.740 1.00 0.00 C ATOM 544 O ASP A 38 -4.498 18.263 1.476 1.00 0.00 O ATOM 545 CB ASP A 38 -2.119 20.547 0.378 1.00 0.00 C ATOM 546 CG ASP A 38 -3.309 21.083 -0.394 1.00 0.00 C ATOM 547 OD1 ASP A 38 -4.369 20.423 -0.385 1.00 0.00 O ATOM 548 OD2 ASP A 38 -3.181 22.164 -1.005 1.00 0.00 O ATOM 0 H ASP A 38 -2.797 18.636 -1.124 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.478 18.808 1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.924 21.193 1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.233 20.582 -0.256 1.00 0.00 H new ATOM 553 N ALA A 39 -3.617 19.869 2.782 1.00 0.00 N ATOM 554 CA ALA A 39 -4.753 19.902 3.695 1.00 0.00 C ATOM 555 C ALA A 39 -6.023 20.344 2.975 1.00 0.00 C ATOM 556 O ALA A 39 -7.113 20.312 3.544 1.00 0.00 O ATOM 557 CB ALA A 39 -4.461 20.825 4.869 1.00 0.00 C ATOM 0 H ALA A 39 -2.869 20.523 3.015 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.913 18.892 4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.318 20.840 5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.584 20.464 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.272 21.833 4.501 1.00 0.00 H new ATOM 563 N ALA A 40 -5.873 20.758 1.721 1.00 0.00 N ATOM 564 CA ALA A 40 -7.008 21.206 0.924 1.00 0.00 C ATOM 565 C ALA A 40 -7.528 20.084 0.032 1.00 0.00 C ATOM 566 O ALA A 40 -8.626 20.172 -0.517 1.00 0.00 O ATOM 567 CB ALA A 40 -6.619 22.413 0.084 1.00 0.00 C ATOM 0 H ALA A 40 -4.977 20.792 1.235 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.808 21.494 1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.476 22.737 -0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.301 23.225 0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.800 22.143 -0.583 1.00 0.00 H new ATOM 573 N GLY A 41 -6.732 19.029 -0.110 1.00 0.00 N ATOM 574 CA GLY A 41 -7.130 17.905 -0.938 1.00 0.00 C ATOM 575 C GLY A 41 -6.756 18.097 -2.395 1.00 0.00 C ATOM 576 O GLY A 41 -7.349 17.481 -3.280 1.00 0.00 O ATOM 0 H GLY A 41 -5.819 18.932 0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.660 16.996 -0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.208 17.763 -0.858 1.00 0.00 H new ATOM 580 N GLU A 42 -5.771 18.954 -2.643 1.00 0.00 N ATOM 581 CA GLU A 42 -5.321 19.227 -4.003 1.00 0.00 C ATOM 582 C GLU A 42 -3.864 18.811 -4.188 1.00 0.00 C ATOM 583 O GLU A 42 -3.101 18.741 -3.225 1.00 0.00 O ATOM 584 CB GLU A 42 -5.484 20.713 -4.330 1.00 0.00 C ATOM 585 CG GLU A 42 -4.416 21.594 -3.706 1.00 0.00 C ATOM 586 CD GLU A 42 -4.906 23.004 -3.437 1.00 0.00 C ATOM 587 OE1 GLU A 42 -5.928 23.153 -2.736 1.00 0.00 O ATOM 588 OE2 GLU A 42 -4.266 23.957 -3.928 1.00 0.00 O ATOM 0 H GLU A 42 -5.270 19.471 -1.921 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.937 18.643 -4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.463 20.843 -5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.464 21.046 -3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.081 21.145 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.551 21.634 -4.368 1.00 0.00 H new ATOM 595 N ILE A 43 -3.487 18.537 -5.433 1.00 0.00 N ATOM 596 CA ILE A 43 -2.123 18.129 -5.744 1.00 0.00 C ATOM 597 C ILE A 43 -1.118 19.188 -5.303 1.00 0.00 C ATOM 598 O ILE A 43 -1.337 20.383 -5.496 1.00 0.00 O ATOM 599 CB ILE A 43 -1.945 17.864 -7.251 1.00 0.00 C ATOM 600 CG1 ILE A 43 -2.951 16.815 -7.729 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.522 17.415 -7.545 1.00 0.00 C ATOM 602 CD1 ILE A 43 -2.706 15.438 -7.154 1.00 0.00 C ATOM 0 H ILE A 43 -4.107 18.590 -6.241 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.937 17.205 -5.196 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.131 18.791 -7.793 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.957 17.139 -7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.915 16.758 -8.817 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.412 17.232 -8.614 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.176 18.193 -7.236 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.309 16.498 -6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.456 14.746 -7.536 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.713 15.094 -7.444 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.772 15.481 -6.067 1.00 0.00 H new ATOM 614 N MET A 44 -0.016 18.739 -4.712 1.00 0.00 N ATOM 615 CA MET A 44 1.025 19.648 -4.246 1.00 0.00 C ATOM 616 C MET A 44 2.222 19.635 -5.192 1.00 0.00 C ATOM 617 O MET A 44 2.912 20.642 -5.349 1.00 0.00 O ATOM 618 CB MET A 44 1.472 19.266 -2.834 1.00 0.00 C ATOM 619 CG MET A 44 1.849 17.800 -2.693 1.00 0.00 C ATOM 620 SD MET A 44 3.101 17.524 -1.425 1.00 0.00 S ATOM 621 CE MET A 44 2.372 18.387 -0.035 1.00 0.00 C ATOM 0 H MET A 44 0.179 17.752 -4.544 1.00 0.00 H new ATOM 0 HA MET A 44 0.610 20.656 -4.227 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.327 19.881 -2.553 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.670 19.496 -2.133 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.958 17.221 -2.450 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.218 17.430 -3.649 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.063 18.368 0.808 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.169 19.421 -0.314 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.440 17.898 0.248 1.00 0.00 H new ATOM 631 N GLY A 45 2.462 18.488 -5.820 1.00 0.00 N ATOM 632 CA GLY A 45 3.576 18.366 -6.742 1.00 0.00 C ATOM 633 C GLY A 45 4.918 18.433 -6.042 1.00 0.00 C ATOM 634 O GLY A 45 5.943 18.695 -6.672 1.00 0.00 O ATOM 0 H GLY A 45 1.905 17.641 -5.707 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.497 17.421 -7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.517 19.161 -7.485 1.00 0.00 H new ATOM 638 N ARG A 46 4.914 18.196 -4.734 1.00 0.00 N ATOM 639 CA ARG A 46 6.140 18.233 -3.946 1.00 0.00 C ATOM 640 C ARG A 46 6.408 16.879 -3.294 1.00 0.00 C ATOM 641 O ARG A 46 5.578 16.363 -2.547 1.00 0.00 O ATOM 642 CB ARG A 46 6.050 19.319 -2.873 1.00 0.00 C ATOM 643 CG ARG A 46 5.905 20.723 -3.438 1.00 0.00 C ATOM 644 CD ARG A 46 5.317 21.679 -2.412 1.00 0.00 C ATOM 645 NE ARG A 46 6.309 22.102 -1.427 1.00 0.00 N ATOM 646 CZ ARG A 46 7.357 22.864 -1.720 1.00 0.00 C ATOM 647 NH1 ARG A 46 7.548 23.284 -2.963 1.00 0.00 N ATOM 648 NH2 ARG A 46 8.216 23.208 -0.769 1.00 0.00 N ATOM 0 H ARG A 46 4.075 17.976 -4.198 1.00 0.00 H new ATOM 0 HA ARG A 46 6.967 18.464 -4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.200 19.108 -2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.944 19.278 -2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.880 21.089 -3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.266 20.697 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.915 22.555 -2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.483 21.196 -1.902 1.00 0.00 H new ATOM 0 HE ARG A 46 6.191 21.796 -0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.890 23.022 -3.697 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.353 23.869 -3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.072 22.887 0.189 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.020 23.793 -0.995 1.00 0.00 H new ATOM 662 N GLY A 47 7.574 16.310 -3.583 1.00 0.00 N ATOM 663 CA GLY A 47 7.931 15.022 -3.017 1.00 0.00 C ATOM 664 C GLY A 47 8.810 15.151 -1.789 1.00 0.00 C ATOM 665 O GLY A 47 10.029 15.273 -1.899 1.00 0.00 O ATOM 0 H GLY A 47 8.278 16.718 -4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.023 14.480 -2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.450 14.429 -3.770 1.00 0.00 H new ATOM 669 N GLY A 48 8.189 15.127 -0.613 1.00 0.00 N ATOM 670 CA GLY A 48 8.938 15.246 0.624 1.00 0.00 C ATOM 671 C GLY A 48 8.140 14.794 1.831 1.00 0.00 C ATOM 672 O GLY A 48 7.851 15.589 2.725 1.00 0.00 O ATOM 0 H GLY A 48 7.181 15.027 -0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.849 14.652 0.552 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.243 16.283 0.762 1.00 0.00 H new ATOM 676 N ASP A 49 7.783 13.515 1.856 1.00 0.00 N ATOM 677 CA ASP A 49 7.012 12.958 2.962 1.00 0.00 C ATOM 678 C ASP A 49 7.564 11.598 3.379 1.00 0.00 C ATOM 679 O ASP A 49 8.406 11.022 2.691 1.00 0.00 O ATOM 680 CB ASP A 49 5.540 12.827 2.571 1.00 0.00 C ATOM 681 CG ASP A 49 5.048 14.011 1.763 1.00 0.00 C ATOM 682 OD1 ASP A 49 5.548 15.132 1.990 1.00 0.00 O ATOM 683 OD2 ASP A 49 4.161 13.818 0.905 1.00 0.00 O ATOM 0 H ASP A 49 8.015 12.844 1.123 1.00 0.00 H new ATOM 0 HA ASP A 49 7.095 13.639 3.809 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.401 11.913 1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.935 12.729 3.472 1.00 0.00 H new ATOM 688 N ASN A 50 7.084 11.091 4.510 1.00 0.00 N ATOM 689 CA ASN A 50 7.530 9.800 5.019 1.00 0.00 C ATOM 690 C ASN A 50 6.475 8.725 4.776 1.00 0.00 C ATOM 691 O ASN A 50 5.505 8.611 5.526 1.00 0.00 O ATOM 692 CB ASN A 50 7.841 9.897 6.514 1.00 0.00 C ATOM 693 CG ASN A 50 8.037 8.536 7.153 1.00 0.00 C ATOM 694 OD1 ASN A 50 8.703 7.665 6.594 1.00 0.00 O ATOM 695 ND2 ASN A 50 7.456 8.347 8.332 1.00 0.00 N ATOM 0 H ASN A 50 6.386 11.555 5.091 1.00 0.00 H new ATOM 0 HA ASN A 50 8.437 9.521 4.484 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.741 10.496 6.657 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.028 10.419 7.018 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.553 7.452 8.811 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.913 9.097 8.759 1.00 0.00 H new ATOM 702 N VAL A 51 6.671 7.938 3.723 1.00 0.00 N ATOM 703 CA VAL A 51 5.737 6.871 3.382 1.00 0.00 C ATOM 704 C VAL A 51 6.077 5.584 4.126 1.00 0.00 C ATOM 705 O VAL A 51 7.155 5.018 3.945 1.00 0.00 O ATOM 706 CB VAL A 51 5.735 6.590 1.868 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.758 5.473 1.533 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.397 7.854 1.093 1.00 0.00 C ATOM 0 H VAL A 51 7.468 8.019 3.091 1.00 0.00 H new ATOM 0 HA VAL A 51 4.746 7.210 3.683 1.00 0.00 H new ATOM 0 HB VAL A 51 6.734 6.267 1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.770 5.289 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.049 4.565 2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.753 5.764 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.400 7.638 0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.410 8.209 1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.139 8.623 1.309 1.00 0.00 H new ATOM 718 N GLN A 52 5.151 5.128 4.962 1.00 0.00 N ATOM 719 CA GLN A 52 5.353 3.907 5.734 1.00 0.00 C ATOM 720 C GLN A 52 4.564 2.748 5.136 1.00 0.00 C ATOM 721 O GLN A 52 3.347 2.833 4.966 1.00 0.00 O ATOM 722 CB GLN A 52 4.938 4.125 7.190 1.00 0.00 C ATOM 723 CG GLN A 52 4.432 2.865 7.873 1.00 0.00 C ATOM 724 CD GLN A 52 5.530 1.847 8.110 1.00 0.00 C ATOM 725 OE1 GLN A 52 6.642 2.198 8.505 1.00 0.00 O ATOM 726 NE2 GLN A 52 5.224 0.578 7.869 1.00 0.00 N ATOM 0 H GLN A 52 4.253 5.585 5.123 1.00 0.00 H new ATOM 0 HA GLN A 52 6.413 3.656 5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.790 4.514 7.748 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.159 4.886 7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.977 3.131 8.827 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.650 2.414 7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.290 0.332 7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.923 -0.151 8.010 1.00 0.00 H new ATOM 735 N VAL A 53 5.264 1.663 4.817 1.00 0.00 N ATOM 736 CA VAL A 53 4.628 0.486 4.238 1.00 0.00 C ATOM 737 C VAL A 53 4.968 -0.769 5.034 1.00 0.00 C ATOM 738 O VAL A 53 6.088 -0.925 5.519 1.00 0.00 O ATOM 739 CB VAL A 53 5.054 0.282 2.772 1.00 0.00 C ATOM 740 CG1 VAL A 53 4.228 -0.819 2.124 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.928 1.583 1.995 1.00 0.00 C ATOM 0 H VAL A 53 6.271 1.575 4.950 1.00 0.00 H new ATOM 0 HA VAL A 53 3.552 0.656 4.275 1.00 0.00 H new ATOM 0 HB VAL A 53 6.100 -0.024 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.543 -0.949 1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.375 -1.752 2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.173 -0.546 2.151 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.233 1.420 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.892 1.922 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.568 2.340 2.447 1.00 0.00 H new ATOM 751 N ALA A 54 3.992 -1.662 5.165 1.00 0.00 N ATOM 752 CA ALA A 54 4.188 -2.906 5.900 1.00 0.00 C ATOM 753 C ALA A 54 2.998 -3.842 5.723 1.00 0.00 C ATOM 754 O ALA A 54 1.906 -3.578 6.227 1.00 0.00 O ATOM 755 CB ALA A 54 4.418 -2.616 7.376 1.00 0.00 C ATOM 0 H ALA A 54 3.058 -1.547 4.772 1.00 0.00 H new ATOM 0 HA ALA A 54 5.070 -3.402 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.563 -3.554 7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.304 -1.992 7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.552 -2.095 7.784 1.00 0.00 H new ATOM 761 N VAL A 55 3.214 -4.937 5.001 1.00 0.00 N ATOM 762 CA VAL A 55 2.159 -5.913 4.758 1.00 0.00 C ATOM 763 C VAL A 55 2.309 -7.125 5.671 1.00 0.00 C ATOM 764 O VAL A 55 3.404 -7.664 5.829 1.00 0.00 O ATOM 765 CB VAL A 55 2.160 -6.386 3.292 1.00 0.00 C ATOM 766 CG1 VAL A 55 0.977 -7.306 3.027 1.00 0.00 C ATOM 767 CG2 VAL A 55 2.140 -5.194 2.348 1.00 0.00 C ATOM 0 H VAL A 55 4.111 -5.170 4.574 1.00 0.00 H new ATOM 0 HA VAL A 55 1.213 -5.416 4.972 1.00 0.00 H new ATOM 0 HB VAL A 55 3.076 -6.949 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.994 -7.630 1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.040 -8.177 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.048 -6.771 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.141 -5.547 1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.243 -4.602 2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.022 -4.578 2.522 1.00 0.00 H new ATOM 777 N VAL A 56 1.201 -7.548 6.270 1.00 0.00 N ATOM 778 CA VAL A 56 1.208 -8.698 7.167 1.00 0.00 C ATOM 779 C VAL A 56 -0.038 -9.555 6.972 1.00 0.00 C ATOM 780 O VAL A 56 -1.167 -9.063 6.978 1.00 0.00 O ATOM 781 CB VAL A 56 1.291 -8.259 8.641 1.00 0.00 C ATOM 782 CG1 VAL A 56 1.519 -9.461 9.544 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.390 -7.225 8.828 1.00 0.00 C ATOM 0 H VAL A 56 0.287 -7.112 6.151 1.00 0.00 H new ATOM 0 HA VAL A 56 2.092 -9.287 6.921 1.00 0.00 H new ATOM 0 HB VAL A 56 0.342 -7.801 8.919 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.575 -9.131 10.581 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.693 -10.163 9.430 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.453 -9.951 9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.434 -6.926 9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.347 -7.654 8.532 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.177 -6.352 8.211 1.00 0.00 H new ATOM 793 N PRO A 57 0.169 -10.868 6.796 1.00 0.00 N ATOM 794 CA PRO A 57 -0.926 -11.822 6.598 1.00 0.00 C ATOM 795 C PRO A 57 -1.757 -12.023 7.861 1.00 0.00 C ATOM 796 O PRO A 57 -1.223 -12.344 8.923 1.00 0.00 O ATOM 797 CB PRO A 57 -0.203 -13.118 6.222 1.00 0.00 C ATOM 798 CG PRO A 57 1.150 -12.988 6.831 1.00 0.00 C ATOM 799 CD PRO A 57 1.488 -11.523 6.779 1.00 0.00 C ATOM 0 HA PRO A 57 -1.634 -11.478 5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.729 -13.991 6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.140 -13.237 5.140 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.152 -13.353 7.858 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.884 -13.578 6.281 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.098 -11.221 7.630 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.050 -11.272 5.879 1.00 0.00 H new ATOM 807 N LYS A 58 -3.066 -11.832 7.738 1.00 0.00 N ATOM 808 CA LYS A 58 -3.972 -11.993 8.869 1.00 0.00 C ATOM 809 C LYS A 58 -3.812 -13.372 9.502 1.00 0.00 C ATOM 810 O LYS A 58 -3.978 -13.533 10.711 1.00 0.00 O ATOM 811 CB LYS A 58 -5.421 -11.791 8.421 1.00 0.00 C ATOM 812 CG LYS A 58 -6.333 -11.281 9.523 1.00 0.00 C ATOM 813 CD LYS A 58 -6.297 -9.765 9.619 1.00 0.00 C ATOM 814 CE LYS A 58 -7.585 -9.213 10.211 1.00 0.00 C ATOM 815 NZ LYS A 58 -7.653 -9.423 11.684 1.00 0.00 N ATOM 0 H LYS A 58 -3.523 -11.565 6.866 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.720 -11.239 9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.440 -11.086 7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.812 -12.737 8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.354 -11.610 9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.031 -11.714 10.476 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.452 -9.458 10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.140 -9.340 8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.658 -8.148 9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.439 -9.695 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.545 -9.033 12.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.609 -10.441 11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.852 -8.942 12.141 1.00 0.00 H new ATOM 829 N ASP A 59 -3.488 -14.362 8.678 1.00 0.00 N ATOM 830 CA ASP A 59 -3.303 -15.727 9.158 1.00 0.00 C ATOM 831 C ASP A 59 -2.100 -15.816 10.092 1.00 0.00 C ATOM 832 O ASP A 59 -2.209 -16.303 11.217 1.00 0.00 O ATOM 833 CB ASP A 59 -3.121 -16.684 7.979 1.00 0.00 C ATOM 834 CG ASP A 59 -4.438 -17.051 7.322 1.00 0.00 C ATOM 835 OD1 ASP A 59 -4.946 -16.240 6.521 1.00 0.00 O ATOM 836 OD2 ASP A 59 -4.960 -18.148 7.611 1.00 0.00 O ATOM 0 H ASP A 59 -3.348 -14.245 7.674 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.195 -16.014 9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.465 -16.224 7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.625 -17.591 8.324 1.00 0.00 H new ATOM 841 N LYS A 60 -0.953 -15.344 9.617 1.00 0.00 N ATOM 842 CA LYS A 60 0.272 -15.369 10.409 1.00 0.00 C ATOM 843 C LYS A 60 0.664 -13.963 10.849 1.00 0.00 C ATOM 844 O LYS A 60 0.809 -13.060 10.024 1.00 0.00 O ATOM 845 CB LYS A 60 1.410 -16.000 9.604 1.00 0.00 C ATOM 846 CG LYS A 60 1.150 -17.443 9.209 1.00 0.00 C ATOM 847 CD LYS A 60 1.260 -18.376 10.403 1.00 0.00 C ATOM 848 CE LYS A 60 2.694 -18.834 10.622 1.00 0.00 C ATOM 849 NZ LYS A 60 3.471 -17.855 11.431 1.00 0.00 N ATOM 0 H LYS A 60 -0.845 -14.939 8.687 1.00 0.00 H new ATOM 0 HA LYS A 60 0.088 -15.970 11.299 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.576 -15.410 8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.328 -15.953 10.190 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.156 -17.528 8.770 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.863 -17.746 8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.898 -17.868 11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.619 -19.244 10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.694 -19.801 11.124 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.181 -18.976 9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.155 -18.363 12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.979 -17.206 10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.822 -17.311 12.035 1.00 0.00 H new ATOM 863 N LYS A 61 0.836 -13.783 12.154 1.00 0.00 N ATOM 864 CA LYS A 61 1.215 -12.487 12.705 1.00 0.00 C ATOM 865 C LYS A 61 2.704 -12.224 12.502 1.00 0.00 C ATOM 866 O LYS A 61 3.116 -11.089 12.260 1.00 0.00 O ATOM 867 CB LYS A 61 0.874 -12.424 14.195 1.00 0.00 C ATOM 868 CG LYS A 61 -0.614 -12.297 14.474 1.00 0.00 C ATOM 869 CD LYS A 61 -0.890 -12.112 15.956 1.00 0.00 C ATOM 870 CE LYS A 61 -2.366 -12.295 16.275 1.00 0.00 C ATOM 871 NZ LYS A 61 -2.629 -12.231 17.740 1.00 0.00 N ATOM 0 H LYS A 61 0.719 -14.519 12.851 1.00 0.00 H new ATOM 0 HA LYS A 61 0.653 -11.717 12.177 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.251 -13.322 14.684 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.393 -11.576 14.642 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.018 -11.450 13.919 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.130 -13.188 14.116 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.301 -12.828 16.529 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.570 -11.117 16.265 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.946 -11.524 15.768 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.705 -13.255 15.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.646 -12.360 17.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.096 -12.983 18.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.329 -11.305 18.106 1.00 0.00 H new ATOM 885 N ASP A 62 3.505 -13.279 12.601 1.00 0.00 N ATOM 886 CA ASP A 62 4.948 -13.162 12.426 1.00 0.00 C ATOM 887 C ASP A 62 5.318 -13.161 10.946 1.00 0.00 C ATOM 888 O ASP A 62 5.818 -12.166 10.421 1.00 0.00 O ATOM 889 CB ASP A 62 5.665 -14.307 13.142 1.00 0.00 C ATOM 890 CG ASP A 62 7.170 -14.124 13.166 1.00 0.00 C ATOM 891 OD1 ASP A 62 7.818 -14.405 12.136 1.00 0.00 O ATOM 892 OD2 ASP A 62 7.699 -13.699 14.214 1.00 0.00 O ATOM 0 H ASP A 62 3.180 -14.225 12.801 1.00 0.00 H new ATOM 0 HA ASP A 62 5.266 -12.215 12.862 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.295 -14.381 14.165 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.424 -15.248 12.647 1.00 0.00 H new ATOM 897 N SER A 63 5.068 -14.283 10.278 1.00 0.00 N ATOM 898 CA SER A 63 5.379 -14.413 8.859 1.00 0.00 C ATOM 899 C SER A 63 5.225 -13.074 8.144 1.00 0.00 C ATOM 900 O SER A 63 4.133 -12.683 7.732 1.00 0.00 O ATOM 901 CB SER A 63 4.470 -15.458 8.210 1.00 0.00 C ATOM 902 OG SER A 63 4.412 -16.639 8.991 1.00 0.00 O ATOM 0 H SER A 63 4.651 -15.115 10.696 1.00 0.00 H new ATOM 0 HA SER A 63 6.416 -14.737 8.768 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.467 -15.048 8.090 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.839 -15.696 7.212 1.00 0.00 H new ATOM 0 HG SER A 63 4.105 -17.385 8.434 1.00 0.00 H new ATOM 908 N PRO A 64 6.346 -12.353 7.992 1.00 0.00 N ATOM 909 CA PRO A 64 6.363 -11.047 7.327 1.00 0.00 C ATOM 910 C PRO A 64 6.114 -11.158 5.826 1.00 0.00 C ATOM 911 O PRO A 64 5.927 -12.253 5.297 1.00 0.00 O ATOM 912 CB PRO A 64 7.778 -10.529 7.598 1.00 0.00 C ATOM 913 CG PRO A 64 8.597 -11.756 7.807 1.00 0.00 C ATOM 914 CD PRO A 64 7.683 -12.757 8.459 1.00 0.00 C ATOM 0 HA PRO A 64 5.576 -10.390 7.698 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.152 -9.942 6.759 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.802 -9.883 8.476 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.980 -12.136 6.860 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.460 -11.546 8.439 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.923 -13.777 8.157 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.757 -12.721 9.546 1.00 0.00 H new ATOM 922 N VAL A 65 6.115 -10.016 5.145 1.00 0.00 N ATOM 923 CA VAL A 65 5.891 -9.985 3.705 1.00 0.00 C ATOM 924 C VAL A 65 6.960 -9.158 3.000 1.00 0.00 C ATOM 925 O VAL A 65 7.223 -8.015 3.376 1.00 0.00 O ATOM 926 CB VAL A 65 4.504 -9.409 3.365 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.299 -9.364 1.858 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.409 -10.224 4.036 1.00 0.00 C ATOM 0 H VAL A 65 6.268 -9.101 5.568 1.00 0.00 H new ATOM 0 HA VAL A 65 5.944 -11.016 3.354 1.00 0.00 H new ATOM 0 HB VAL A 65 4.451 -8.389 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.313 -8.954 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.064 -8.733 1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.372 -10.372 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.436 -9.802 3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.458 -11.256 3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.547 -10.199 5.117 1.00 0.00 H new ATOM 938 N ARG A 66 7.573 -9.742 1.976 1.00 0.00 N ATOM 939 CA ARG A 66 8.615 -9.059 1.218 1.00 0.00 C ATOM 940 C ARG A 66 8.035 -7.886 0.433 1.00 0.00 C ATOM 941 O ARG A 66 7.454 -8.067 -0.638 1.00 0.00 O ATOM 942 CB ARG A 66 9.304 -10.036 0.263 1.00 0.00 C ATOM 943 CG ARG A 66 10.312 -10.945 0.945 1.00 0.00 C ATOM 944 CD ARG A 66 9.624 -12.047 1.735 1.00 0.00 C ATOM 945 NE ARG A 66 10.513 -13.179 1.984 1.00 0.00 N ATOM 946 CZ ARG A 66 11.455 -13.181 2.920 1.00 0.00 C ATOM 947 NH1 ARG A 66 11.631 -12.117 3.691 1.00 0.00 N ATOM 948 NH2 ARG A 66 12.225 -14.250 3.086 1.00 0.00 N ATOM 0 H ARG A 66 7.366 -10.687 1.652 1.00 0.00 H new ATOM 0 HA ARG A 66 9.350 -8.673 1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.546 -10.649 -0.225 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.809 -9.470 -0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.969 -11.388 0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.941 -10.356 1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.273 -11.646 2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.745 -12.390 1.189 1.00 0.00 H new ATOM 0 HE ARG A 66 10.404 -14.013 1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.042 -11.294 3.566 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.355 -12.122 4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.093 -15.070 2.494 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.948 -14.251 3.805 1.00 0.00 H new ATOM 962 N THR A 67 8.196 -6.682 0.973 1.00 0.00 N ATOM 963 CA THR A 67 7.688 -5.480 0.325 1.00 0.00 C ATOM 964 C THR A 67 8.821 -4.667 -0.291 1.00 0.00 C ATOM 965 O THR A 67 9.996 -4.962 -0.079 1.00 0.00 O ATOM 966 CB THR A 67 6.914 -4.591 1.317 1.00 0.00 C ATOM 967 OG1 THR A 67 7.565 -4.597 2.592 1.00 0.00 O ATOM 968 CG2 THR A 67 5.480 -5.075 1.472 1.00 0.00 C ATOM 0 H THR A 67 8.675 -6.514 1.858 1.00 0.00 H new ATOM 0 HA THR A 67 7.010 -5.808 -0.463 1.00 0.00 H new ATOM 0 HB THR A 67 6.898 -3.575 0.923 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.068 -4.028 3.216 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.953 -4.432 2.177 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.978 -5.041 0.505 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.480 -6.099 1.845 1.00 0.00 H new ATOM 976 N MET A 68 8.459 -3.640 -1.055 1.00 0.00 N ATOM 977 CA MET A 68 9.447 -2.783 -1.700 1.00 0.00 C ATOM 978 C MET A 68 8.955 -1.341 -1.766 1.00 0.00 C ATOM 979 O MET A 68 7.755 -1.088 -1.873 1.00 0.00 O ATOM 980 CB MET A 68 9.754 -3.294 -3.109 1.00 0.00 C ATOM 981 CG MET A 68 11.160 -2.962 -3.583 1.00 0.00 C ATOM 982 SD MET A 68 12.424 -3.939 -2.748 1.00 0.00 S ATOM 983 CE MET A 68 12.311 -5.482 -3.652 1.00 0.00 C ATOM 0 H MET A 68 7.490 -3.382 -1.242 1.00 0.00 H new ATOM 0 HA MET A 68 10.359 -2.810 -1.104 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.617 -4.375 -3.132 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.034 -2.867 -3.807 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.226 -3.132 -4.658 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.355 -1.903 -3.415 1.00 0.00 H new ATOM 0 HE1 MET A 68 12.390 -6.318 -2.957 1.00 0.00 H new ATOM 0 HE2 MET A 68 11.354 -5.530 -4.171 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.121 -5.538 -4.379 1.00 0.00 H new ATOM 993 N VAL A 69 9.889 -0.398 -1.700 1.00 0.00 N ATOM 994 CA VAL A 69 9.551 1.019 -1.752 1.00 0.00 C ATOM 995 C VAL A 69 10.557 1.794 -2.595 1.00 0.00 C ATOM 996 O VAL A 69 11.709 1.970 -2.198 1.00 0.00 O ATOM 997 CB VAL A 69 9.496 1.636 -0.342 1.00 0.00 C ATOM 998 CG1 VAL A 69 9.140 3.113 -0.419 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.501 0.885 0.529 1.00 0.00 C ATOM 0 H VAL A 69 10.887 -0.590 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 69 8.565 1.092 -2.211 1.00 0.00 H new ATOM 0 HB VAL A 69 10.482 1.548 0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.106 3.532 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.893 3.639 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.165 3.228 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.475 1.334 1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.510 0.940 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.804 -0.159 0.611 1.00 0.00 H new ATOM 1009 N GLN A 70 10.115 2.255 -3.761 1.00 0.00 N ATOM 1010 CA GLN A 70 10.978 3.011 -4.660 1.00 0.00 C ATOM 1011 C GLN A 70 10.730 4.509 -4.521 1.00 0.00 C ATOM 1012 O GLN A 70 9.927 5.086 -5.256 1.00 0.00 O ATOM 1013 CB GLN A 70 10.748 2.576 -6.108 1.00 0.00 C ATOM 1014 CG GLN A 70 11.978 2.721 -6.990 1.00 0.00 C ATOM 1015 CD GLN A 70 12.956 1.575 -6.821 1.00 0.00 C ATOM 1016 OE1 GLN A 70 12.927 0.862 -5.817 1.00 0.00 O ATOM 1017 NE2 GLN A 70 13.829 1.392 -7.804 1.00 0.00 N ATOM 0 H GLN A 70 9.164 2.118 -4.105 1.00 0.00 H new ATOM 0 HA GLN A 70 12.013 2.806 -4.387 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.424 1.535 -6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.936 3.167 -6.531 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.668 2.778 -8.033 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.480 3.660 -6.755 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.817 2.007 -8.618 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.512 0.636 -7.746 1.00 0.00 H new ATOM 1026 N ASP A 71 11.422 5.134 -3.575 1.00 0.00 N ATOM 1027 CA ASP A 71 11.277 6.566 -3.340 1.00 0.00 C ATOM 1028 C ASP A 71 11.623 7.360 -4.596 1.00 0.00 C ATOM 1029 O ASP A 71 12.669 7.149 -5.208 1.00 0.00 O ATOM 1030 CB ASP A 71 12.171 7.007 -2.181 1.00 0.00 C ATOM 1031 CG ASP A 71 12.292 8.515 -2.084 1.00 0.00 C ATOM 1032 OD1 ASP A 71 13.209 9.078 -2.719 1.00 0.00 O ATOM 1033 OD2 ASP A 71 11.471 9.133 -1.374 1.00 0.00 O ATOM 0 H ASP A 71 12.089 4.671 -2.958 1.00 0.00 H new ATOM 0 HA ASP A 71 10.237 6.764 -3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.768 6.617 -1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.163 6.573 -2.306 1.00 0.00 H new ATOM 1038 N ASN A 72 10.735 8.274 -4.975 1.00 0.00 N ATOM 1039 CA ASN A 72 10.946 9.099 -6.159 1.00 0.00 C ATOM 1040 C ASN A 72 10.993 10.578 -5.790 1.00 0.00 C ATOM 1041 O ASN A 72 11.777 11.345 -6.350 1.00 0.00 O ATOM 1042 CB ASN A 72 9.835 8.853 -7.182 1.00 0.00 C ATOM 1043 CG ASN A 72 10.096 7.626 -8.035 1.00 0.00 C ATOM 1044 OD1 ASN A 72 10.987 7.625 -8.884 1.00 0.00 O ATOM 1045 ND2 ASN A 72 9.317 6.574 -7.812 1.00 0.00 N ATOM 0 H ASN A 72 9.863 8.462 -4.480 1.00 0.00 H new ATOM 0 HA ASN A 72 11.904 8.821 -6.598 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.885 8.735 -6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.738 9.727 -7.827 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.445 5.720 -8.355 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.590 6.620 -7.098 1.00 0.00 H new ATOM 1052 N LYS A 73 10.150 10.974 -4.842 1.00 0.00 N ATOM 1053 CA LYS A 73 10.095 12.360 -4.395 1.00 0.00 C ATOM 1054 C LYS A 73 9.629 13.277 -5.522 1.00 0.00 C ATOM 1055 O LYS A 73 10.101 14.407 -5.650 1.00 0.00 O ATOM 1056 CB LYS A 73 11.469 12.810 -3.893 1.00 0.00 C ATOM 1057 CG LYS A 73 12.002 11.969 -2.745 1.00 0.00 C ATOM 1058 CD LYS A 73 11.531 12.499 -1.401 1.00 0.00 C ATOM 1059 CE LYS A 73 12.487 13.545 -0.848 1.00 0.00 C ATOM 1060 NZ LYS A 73 12.491 13.561 0.641 1.00 0.00 N ATOM 0 H LYS A 73 9.494 10.353 -4.368 1.00 0.00 H new ATOM 0 HA LYS A 73 9.377 12.424 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.179 12.773 -4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.407 13.850 -3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.673 10.937 -2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.092 11.962 -2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.537 12.933 -1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.444 11.674 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.495 13.344 -1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.204 14.529 -1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.804 14.494 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.531 13.370 0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.141 12.830 0.994 1.00 0.00 H new ATOM 1074 N ASP A 74 8.701 12.784 -6.334 1.00 0.00 N ATOM 1075 CA ASP A 74 8.170 13.560 -7.448 1.00 0.00 C ATOM 1076 C ASP A 74 6.661 13.739 -7.315 1.00 0.00 C ATOM 1077 O ASP A 74 5.940 13.777 -8.312 1.00 0.00 O ATOM 1078 CB ASP A 74 8.500 12.878 -8.777 1.00 0.00 C ATOM 1079 CG ASP A 74 8.136 13.734 -9.974 1.00 0.00 C ATOM 1080 OD1 ASP A 74 8.449 14.943 -9.956 1.00 0.00 O ATOM 1081 OD2 ASP A 74 7.539 13.195 -10.929 1.00 0.00 O ATOM 0 H ASP A 74 8.301 11.850 -6.242 1.00 0.00 H new ATOM 0 HA ASP A 74 8.638 14.544 -7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.565 12.648 -8.809 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.967 11.929 -8.837 1.00 0.00 H new ATOM 1086 N GLY A 75 6.189 13.846 -6.077 1.00 0.00 N ATOM 1087 CA GLY A 75 4.768 14.017 -5.836 1.00 0.00 C ATOM 1088 C GLY A 75 4.058 12.700 -5.596 1.00 0.00 C ATOM 1089 O GLY A 75 3.014 12.658 -4.943 1.00 0.00 O ATOM 0 H GLY A 75 6.766 13.817 -5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.625 14.666 -4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.316 14.520 -6.691 1.00 0.00 H new ATOM 1093 N THR A 76 4.622 11.619 -6.127 1.00 0.00 N ATOM 1094 CA THR A 76 4.035 10.295 -5.969 1.00 0.00 C ATOM 1095 C THR A 76 5.072 9.288 -5.485 1.00 0.00 C ATOM 1096 O THR A 76 6.244 9.622 -5.315 1.00 0.00 O ATOM 1097 CB THR A 76 3.424 9.791 -7.290 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.432 9.736 -8.306 1.00 0.00 O ATOM 1099 CG2 THR A 76 2.289 10.697 -7.743 1.00 0.00 C ATOM 0 H THR A 76 5.485 11.635 -6.670 1.00 0.00 H new ATOM 0 HA THR A 76 3.245 10.386 -5.223 1.00 0.00 H new ATOM 0 HB THR A 76 3.023 8.791 -7.121 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.036 9.413 -9.142 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.874 10.320 -8.678 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.510 10.713 -6.981 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.669 11.707 -7.896 1.00 0.00 H new ATOM 1107 N TYR A 77 4.633 8.054 -5.265 1.00 0.00 N ATOM 1108 CA TYR A 77 5.523 6.998 -4.798 1.00 0.00 C ATOM 1109 C TYR A 77 5.205 5.673 -5.485 1.00 0.00 C ATOM 1110 O TYR A 77 4.081 5.448 -5.935 1.00 0.00 O ATOM 1111 CB TYR A 77 5.408 6.838 -3.281 1.00 0.00 C ATOM 1112 CG TYR A 77 6.165 7.890 -2.502 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.657 9.176 -2.359 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.388 7.599 -1.911 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.346 10.141 -1.649 1.00 0.00 C ATOM 1116 CE2 TYR A 77 8.082 8.557 -1.198 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.557 9.827 -1.070 1.00 0.00 C ATOM 1118 OH TYR A 77 8.247 10.784 -0.362 1.00 0.00 O ATOM 0 H TYR A 77 3.666 7.760 -5.403 1.00 0.00 H new ATOM 0 HA TYR A 77 6.545 7.282 -5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.356 6.876 -2.999 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.778 5.852 -2.999 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.708 9.425 -2.810 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.803 6.607 -2.011 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.938 11.136 -1.548 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.031 8.314 -0.743 1.00 0.00 H new ATOM 0 HH TYR A 77 8.129 10.629 0.598 1.00 0.00 H new ATOM 1128 N TYR A 78 6.203 4.800 -5.562 1.00 0.00 N ATOM 1129 CA TYR A 78 6.031 3.498 -6.196 1.00 0.00 C ATOM 1130 C TYR A 78 6.234 2.371 -5.188 1.00 0.00 C ATOM 1131 O TYR A 78 7.357 2.094 -4.767 1.00 0.00 O ATOM 1132 CB TYR A 78 7.013 3.340 -7.358 1.00 0.00 C ATOM 1133 CG TYR A 78 6.505 2.441 -8.462 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.242 2.629 -9.012 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.285 1.403 -8.955 1.00 0.00 C ATOM 1136 CE1 TYR A 78 4.773 1.810 -10.021 1.00 0.00 C ATOM 1137 CE2 TYR A 78 6.825 0.580 -9.965 1.00 0.00 C ATOM 1138 CZ TYR A 78 5.568 0.787 -10.494 1.00 0.00 C ATOM 1139 OH TYR A 78 5.105 -0.031 -11.499 1.00 0.00 O ATOM 0 H TYR A 78 7.139 4.970 -5.194 1.00 0.00 H new ATOM 0 HA TYR A 78 5.012 3.440 -6.579 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.232 4.323 -7.774 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.952 2.938 -6.977 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.617 3.429 -8.644 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.269 1.236 -8.542 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.789 1.970 -10.437 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.446 -0.221 -10.338 1.00 0.00 H new ATOM 0 HH TYR A 78 5.787 -0.700 -11.717 1.00 0.00 H new ATOM 1149 N ILE A 79 5.138 1.724 -4.806 1.00 0.00 N ATOM 1150 CA ILE A 79 5.194 0.625 -3.849 1.00 0.00 C ATOM 1151 C ILE A 79 4.930 -0.712 -4.532 1.00 0.00 C ATOM 1152 O ILE A 79 4.206 -0.782 -5.525 1.00 0.00 O ATOM 1153 CB ILE A 79 4.174 0.818 -2.711 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.453 2.122 -1.962 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.216 -0.367 -1.757 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.227 2.716 -1.305 1.00 0.00 C ATOM 0 H ILE A 79 4.201 1.942 -5.144 1.00 0.00 H new ATOM 0 HA ILE A 79 6.200 0.623 -3.428 1.00 0.00 H new ATOM 0 HB ILE A 79 3.175 0.877 -3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.211 1.939 -1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.870 2.849 -2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.490 -0.217 -0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.974 -1.280 -2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.214 -0.454 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.500 3.639 -0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.475 2.931 -2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.821 2.007 -0.584 1.00 0.00 H new ATOM 1168 N SER A 80 5.522 -1.773 -3.992 1.00 0.00 N ATOM 1169 CA SER A 80 5.353 -3.110 -4.550 1.00 0.00 C ATOM 1170 C SER A 80 5.397 -4.167 -3.451 1.00 0.00 C ATOM 1171 O SER A 80 6.168 -4.056 -2.498 1.00 0.00 O ATOM 1172 CB SER A 80 6.440 -3.392 -5.589 1.00 0.00 C ATOM 1173 OG SER A 80 6.010 -4.366 -6.525 1.00 0.00 O ATOM 0 H SER A 80 6.123 -1.733 -3.169 1.00 0.00 H new ATOM 0 HA SER A 80 4.377 -3.155 -5.034 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.697 -2.470 -6.111 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.345 -3.738 -5.089 1.00 0.00 H new ATOM 0 HG SER A 80 6.721 -4.527 -7.179 1.00 0.00 H new ATOM 1179 N TYR A 81 4.563 -5.191 -3.591 1.00 0.00 N ATOM 1180 CA TYR A 81 4.504 -6.268 -2.609 1.00 0.00 C ATOM 1181 C TYR A 81 4.244 -7.610 -3.288 1.00 0.00 C ATOM 1182 O TYR A 81 3.654 -7.670 -4.367 1.00 0.00 O ATOM 1183 CB TYR A 81 3.410 -5.986 -1.577 1.00 0.00 C ATOM 1184 CG TYR A 81 2.009 -6.158 -2.117 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.456 -7.423 -2.278 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.237 -5.057 -2.468 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.176 -7.586 -2.771 1.00 0.00 C ATOM 1188 CE2 TYR A 81 -0.044 -5.210 -2.961 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.570 -6.477 -3.111 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.846 -6.633 -3.603 1.00 0.00 O ATOM 0 H TYR A 81 3.919 -5.298 -4.374 1.00 0.00 H new ATOM 0 HA TYR A 81 5.468 -6.318 -2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.546 -6.652 -0.725 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.525 -4.967 -1.207 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.037 -8.294 -2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.646 -4.064 -2.353 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.238 -8.576 -2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.631 -4.343 -3.228 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.234 -5.753 -3.792 1.00 0.00 H new ATOM 1200 N THR A 82 4.689 -8.686 -2.646 1.00 0.00 N ATOM 1201 CA THR A 82 4.506 -10.027 -3.186 1.00 0.00 C ATOM 1202 C THR A 82 4.257 -11.038 -2.073 1.00 0.00 C ATOM 1203 O THR A 82 5.150 -11.370 -1.292 1.00 0.00 O ATOM 1204 CB THR A 82 5.731 -10.474 -4.006 1.00 0.00 C ATOM 1205 OG1 THR A 82 6.086 -9.459 -4.951 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.446 -11.777 -4.738 1.00 0.00 C ATOM 0 H THR A 82 5.179 -8.654 -1.752 1.00 0.00 H new ATOM 0 HA THR A 82 3.635 -9.989 -3.840 1.00 0.00 H new ATOM 0 HB THR A 82 6.561 -10.635 -3.318 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.866 -9.751 -5.467 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.325 -12.073 -5.310 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.205 -12.556 -4.014 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.603 -11.637 -5.415 1.00 0.00 H new ATOM 1214 N PRO A 83 3.017 -11.542 -1.996 1.00 0.00 N ATOM 1215 CA PRO A 83 2.622 -12.524 -0.982 1.00 0.00 C ATOM 1216 C PRO A 83 3.266 -13.887 -1.214 1.00 0.00 C ATOM 1217 O PRO A 83 3.498 -14.290 -2.353 1.00 0.00 O ATOM 1218 CB PRO A 83 1.103 -12.616 -1.149 1.00 0.00 C ATOM 1219 CG PRO A 83 0.852 -12.214 -2.561 1.00 0.00 C ATOM 1220 CD PRO A 83 1.903 -11.192 -2.894 1.00 0.00 C ATOM 0 HA PRO A 83 2.937 -12.226 0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.744 -13.627 -0.955 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.587 -11.956 -0.452 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.918 -13.073 -3.229 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.148 -11.797 -2.676 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.199 -11.247 -3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.547 -10.177 -2.716 1.00 0.00 H new ATOM 1228 N LYS A 84 3.554 -14.593 -0.125 1.00 0.00 N ATOM 1229 CA LYS A 84 4.170 -15.912 -0.209 1.00 0.00 C ATOM 1230 C LYS A 84 3.110 -17.009 -0.201 1.00 0.00 C ATOM 1231 O LYS A 84 3.314 -18.085 -0.762 1.00 0.00 O ATOM 1232 CB LYS A 84 5.141 -16.118 0.956 1.00 0.00 C ATOM 1233 CG LYS A 84 6.222 -15.054 1.042 1.00 0.00 C ATOM 1234 CD LYS A 84 6.925 -15.082 2.389 1.00 0.00 C ATOM 1235 CE LYS A 84 7.997 -16.160 2.436 1.00 0.00 C ATOM 1236 NZ LYS A 84 7.433 -17.488 2.802 1.00 0.00 N ATOM 0 H LYS A 84 3.370 -14.273 0.826 1.00 0.00 H new ATOM 0 HA LYS A 84 4.720 -15.970 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.578 -16.129 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.612 -17.096 0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.951 -15.209 0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.780 -14.071 0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.377 -14.110 2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.194 -15.259 3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.486 -16.229 1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.763 -15.879 3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.078 -17.969 3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.507 -17.358 3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.320 -18.065 1.944 1.00 0.00 H new ATOM 1250 N GLU A 85 1.978 -16.728 0.437 1.00 0.00 N ATOM 1251 CA GLU A 85 0.887 -17.692 0.516 1.00 0.00 C ATOM 1252 C GLU A 85 -0.464 -16.998 0.366 1.00 0.00 C ATOM 1253 O GLU A 85 -0.609 -15.804 0.629 1.00 0.00 O ATOM 1254 CB GLU A 85 0.940 -18.447 1.846 1.00 0.00 C ATOM 1255 CG GLU A 85 1.190 -17.550 3.046 1.00 0.00 C ATOM 1256 CD GLU A 85 1.806 -18.297 4.214 1.00 0.00 C ATOM 1257 OE1 GLU A 85 3.051 -18.382 4.273 1.00 0.00 O ATOM 1258 OE2 GLU A 85 1.044 -18.796 5.068 1.00 0.00 O ATOM 0 H GLU A 85 1.793 -15.841 0.906 1.00 0.00 H new ATOM 0 HA GLU A 85 1.004 -18.403 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.001 -18.978 1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.727 -19.200 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.850 -16.733 2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.248 -17.101 3.362 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.476 -17.763 -0.067 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.833 -17.244 -0.262 1.00 0.00 C ATOM 1267 C PRO A 86 -3.521 -16.909 1.057 1.00 0.00 C ATOM 1268 O PRO A 86 -3.122 -17.391 2.116 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.556 -18.396 -0.965 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.809 -19.618 -0.555 1.00 0.00 C ATOM 1271 CD PRO A 86 -1.375 -19.194 -0.399 1.00 0.00 C ATOM 0 HA PRO A 86 -2.835 -16.312 -0.828 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.602 -18.451 -0.662 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.544 -18.269 -2.048 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.201 -20.020 0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.904 -20.404 -1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.874 -19.755 0.390 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.807 -19.355 -1.315 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.558 -16.080 0.985 1.00 0.00 N ATOM 1280 CA GLY A 87 -5.285 -15.696 2.180 1.00 0.00 C ATOM 1281 C GLY A 87 -5.470 -14.195 2.289 1.00 0.00 C ATOM 1282 O GLY A 87 -5.017 -13.442 1.426 1.00 0.00 O ATOM 0 H GLY A 87 -4.907 -15.668 0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.262 -16.180 2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.751 -16.058 3.059 1.00 0.00 H new ATOM 1286 N VAL A 88 -6.139 -13.758 3.352 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.383 -12.337 3.570 1.00 0.00 C ATOM 1288 C VAL A 88 -5.163 -11.657 4.181 1.00 0.00 C ATOM 1289 O VAL A 88 -4.540 -12.187 5.102 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.597 -12.112 4.490 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.381 -12.788 5.836 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.861 -10.624 4.668 1.00 0.00 C ATOM 0 H VAL A 88 -6.521 -14.367 4.075 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.589 -11.897 2.594 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.473 -12.561 4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.250 -12.618 6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.244 -13.859 5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.494 -12.372 6.314 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.722 -10.483 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.986 -10.150 5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.064 -10.172 3.697 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.826 -10.482 3.662 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.679 -9.729 4.155 1.00 0.00 C ATOM 1304 C TYR A 89 -4.098 -8.336 4.614 1.00 0.00 C ATOM 1305 O TYR A 89 -5.224 -7.901 4.373 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.609 -9.620 3.068 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.796 -10.882 2.888 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.407 -12.084 2.552 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.417 -10.873 3.055 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.669 -13.239 2.388 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.330 -12.024 2.892 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.300 -13.204 2.559 1.00 0.00 C ATOM 1313 OH TYR A 89 0.439 -14.353 2.395 1.00 0.00 O ATOM 0 H TYR A 89 -5.331 -10.030 2.900 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.266 -10.264 5.010 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -3.089 -9.369 2.122 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.937 -8.797 3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.478 -12.115 2.417 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.080 -9.950 3.317 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.160 -14.165 2.127 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.402 -11.999 3.025 1.00 0.00 H new ATOM 0 HH TYR A 89 -0.155 -15.091 2.146 1.00 0.00 H new ATOM 1323 N THR A 90 -3.181 -7.638 5.279 1.00 0.00 N ATOM 1324 CA THR A 90 -3.453 -6.295 5.773 1.00 0.00 C ATOM 1325 C THR A 90 -2.320 -5.339 5.419 1.00 0.00 C ATOM 1326 O THR A 90 -1.258 -5.360 6.042 1.00 0.00 O ATOM 1327 CB THR A 90 -3.657 -6.288 7.300 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.278 -7.510 7.716 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.514 -5.107 7.727 1.00 0.00 C ATOM 0 H THR A 90 -2.244 -7.982 5.487 1.00 0.00 H new ATOM 0 HA THR A 90 -4.371 -5.961 5.290 1.00 0.00 H new ATOM 0 HB THR A 90 -2.680 -6.197 7.774 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.403 -7.499 8.688 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.644 -5.124 8.809 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.025 -4.178 7.435 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.489 -5.171 7.244 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.552 -4.499 4.415 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.551 -3.533 3.979 1.00 0.00 C ATOM 1339 C VAL A 91 -1.591 -2.274 4.838 1.00 0.00 C ATOM 1340 O VAL A 91 -2.629 -1.622 4.952 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.754 -3.142 2.503 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.670 -2.174 2.053 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -1.773 -4.381 1.621 1.00 0.00 C ATOM 0 H VAL A 91 -3.425 -4.468 3.888 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.579 -4.013 4.089 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.718 -2.641 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.830 -1.909 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.709 -1.273 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.307 -2.645 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.917 -4.086 0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.826 -4.912 1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.589 -5.034 1.929 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.455 -1.938 5.438 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.360 -0.756 6.287 1.00 0.00 C ATOM 1355 C TRP A 92 0.210 0.426 5.512 1.00 0.00 C ATOM 1356 O TRP A 92 1.353 0.389 5.056 1.00 0.00 O ATOM 1357 CB TRP A 92 0.511 -1.049 7.509 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.173 -1.899 8.537 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.042 -2.926 8.304 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.046 -1.793 9.959 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.463 -3.465 9.496 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -0.866 -2.788 10.526 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.682 -0.956 10.809 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -0.977 -2.966 11.903 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 0.571 -1.133 12.175 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -0.253 -2.132 12.711 1.00 0.00 C ATOM 0 H TRP A 92 0.413 -2.467 5.353 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.365 -0.497 6.620 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.424 -1.548 7.184 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.809 -0.106 7.968 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.353 -3.265 7.327 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.115 -4.243 9.597 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.320 -0.184 10.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -1.612 -3.735 12.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 1.129 -0.491 12.841 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.318 -2.246 13.783 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.592 1.476 5.366 1.00 0.00 N ATOM 1378 CA VAL A 93 -0.166 2.670 4.647 1.00 0.00 C ATOM 1379 C VAL A 93 -0.420 3.928 5.471 1.00 0.00 C ATOM 1380 O VAL A 93 -1.564 4.347 5.646 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.892 2.800 3.295 1.00 0.00 C ATOM 1382 CG1 VAL A 93 -0.456 4.067 2.574 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.638 1.573 2.434 1.00 0.00 C ATOM 0 H VAL A 93 -1.541 1.524 5.737 1.00 0.00 H new ATOM 0 HA VAL A 93 0.904 2.566 4.468 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.964 2.868 3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.979 4.142 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.695 4.935 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.619 4.033 2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.159 1.682 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.432 1.471 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.005 0.685 2.949 1.00 0.00 H new ATOM 1393 N CYS A 94 0.655 4.525 5.974 1.00 0.00 N ATOM 1394 CA CYS A 94 0.549 5.736 6.780 1.00 0.00 C ATOM 1395 C CYS A 94 1.681 6.706 6.455 1.00 0.00 C ATOM 1396 O CYS A 94 2.749 6.298 5.999 1.00 0.00 O ATOM 1397 CB CYS A 94 0.573 5.386 8.269 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.455 3.965 8.710 1.00 0.00 S ATOM 0 H CYS A 94 1.609 4.191 5.838 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.399 6.219 6.543 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.602 5.183 8.567 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.241 6.253 8.840 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.325 4.321 9.608 1.00 0.00 H new ATOM 1404 N ILE A 95 1.438 7.991 6.692 1.00 0.00 N ATOM 1405 CA ILE A 95 2.436 9.018 6.424 1.00 0.00 C ATOM 1406 C ILE A 95 2.708 9.858 7.667 1.00 0.00 C ATOM 1407 O ILE A 95 1.782 10.350 8.313 1.00 0.00 O ATOM 1408 CB ILE A 95 1.994 9.947 5.277 1.00 0.00 C ATOM 1409 CG1 ILE A 95 1.833 9.151 3.980 1.00 0.00 C ATOM 1410 CG2 ILE A 95 2.998 11.075 5.092 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.130 9.919 2.883 1.00 0.00 C ATOM 0 H ILE A 95 0.559 8.345 7.069 1.00 0.00 H new ATOM 0 HA ILE A 95 3.350 8.501 6.131 1.00 0.00 H new ATOM 0 HB ILE A 95 1.029 10.384 5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.818 8.847 3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.274 8.239 4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.672 11.723 4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.067 11.655 6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.976 10.656 4.853 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.051 9.293 1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.132 10.201 3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.700 10.817 2.645 1.00 0.00 H new ATOM 1423 N LYS A 96 3.984 10.021 7.997 1.00 0.00 N ATOM 1424 CA LYS A 96 4.381 10.804 9.161 1.00 0.00 C ATOM 1425 C LYS A 96 3.647 10.330 10.411 1.00 0.00 C ATOM 1426 O LYS A 96 3.176 11.140 11.209 1.00 0.00 O ATOM 1427 CB LYS A 96 4.098 12.289 8.922 1.00 0.00 C ATOM 1428 CG LYS A 96 5.194 13.001 8.149 1.00 0.00 C ATOM 1429 CD LYS A 96 4.985 14.506 8.142 1.00 0.00 C ATOM 1430 CE LYS A 96 5.890 15.190 7.129 1.00 0.00 C ATOM 1431 NZ LYS A 96 7.326 15.086 7.509 1.00 0.00 N ATOM 0 H LYS A 96 4.763 9.621 7.474 1.00 0.00 H new ATOM 0 HA LYS A 96 5.451 10.664 9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.159 12.388 8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.963 12.784 9.884 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.162 12.769 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.216 12.631 7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.944 14.729 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.182 14.906 9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.741 14.741 6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.612 16.241 7.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.910 15.564 6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.474 15.537 8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.599 14.084 7.565 1.00 0.00 H new ATOM 1445 N GLU A 97 3.554 9.014 10.574 1.00 0.00 N ATOM 1446 CA GLU A 97 2.878 8.434 11.728 1.00 0.00 C ATOM 1447 C GLU A 97 1.399 8.813 11.740 1.00 0.00 C ATOM 1448 O GLU A 97 0.841 9.140 12.786 1.00 0.00 O ATOM 1449 CB GLU A 97 3.544 8.899 13.025 1.00 0.00 C ATOM 1450 CG GLU A 97 4.965 8.388 13.195 1.00 0.00 C ATOM 1451 CD GLU A 97 5.022 7.037 13.880 1.00 0.00 C ATOM 1452 OE1 GLU A 97 4.728 6.022 13.213 1.00 0.00 O ATOM 1453 OE2 GLU A 97 5.359 6.993 15.081 1.00 0.00 O ATOM 0 H GLU A 97 3.938 8.330 9.922 1.00 0.00 H new ATOM 0 HA GLU A 97 2.958 7.349 11.655 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.553 9.989 13.049 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.943 8.567 13.872 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.440 8.315 12.217 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.539 9.110 13.776 1.00 0.00 H new ATOM 1460 N GLN A 98 0.774 8.767 10.568 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.639 9.106 10.443 1.00 0.00 C ATOM 1462 C GLN A 98 -1.305 8.272 9.354 1.00 0.00 C ATOM 1463 O GLN A 98 -0.876 8.284 8.199 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.802 10.595 10.133 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.246 11.506 11.216 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.357 12.975 10.856 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.356 13.627 11.160 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.673 13.504 10.206 1.00 0.00 N ATOM 0 H GLN A 98 1.223 8.499 9.692 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.125 8.884 11.393 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.303 10.818 9.190 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.860 10.815 9.993 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.779 11.323 12.149 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.800 11.257 11.393 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.481 12.926 9.974 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.656 14.488 9.938 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.355 7.548 9.728 1.00 0.00 N ATOM 1478 CA HIS A 99 -3.080 6.708 8.782 1.00 0.00 C ATOM 1479 C HIS A 99 -3.753 7.556 7.707 1.00 0.00 C ATOM 1480 O HIS A 99 -4.440 8.531 8.010 1.00 0.00 O ATOM 1481 CB HIS A 99 -4.127 5.867 9.513 1.00 0.00 C ATOM 1482 CG HIS A 99 -3.588 5.148 10.711 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -3.221 3.819 10.690 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -3.352 5.582 11.972 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -2.784 3.466 11.886 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -2.853 4.518 12.682 1.00 0.00 N ATOM 0 H HIS A 99 -2.723 7.526 10.679 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.362 6.044 8.300 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.947 6.514 9.826 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.544 5.137 8.819 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -3.524 6.579 12.349 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.431 2.484 12.165 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -2.580 4.537 13.665 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.549 7.179 6.448 1.00 0.00 N ATOM 1496 CA VAL A 100 -4.136 7.904 5.328 1.00 0.00 C ATOM 1497 C VAL A 100 -5.571 7.456 5.074 1.00 0.00 C ATOM 1498 O VAL A 100 -6.092 6.587 5.772 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.313 7.709 4.040 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.891 8.212 4.233 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.317 6.246 3.623 1.00 0.00 C ATOM 0 H VAL A 100 -2.981 6.375 6.179 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.131 8.960 5.597 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.774 8.293 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.325 8.066 3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.911 9.273 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.416 7.658 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.731 6.126 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.881 5.640 4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.342 5.922 3.441 1.00 0.00 H new ATOM 1511 N GLN A 101 -6.203 8.056 4.071 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.579 7.718 3.725 1.00 0.00 C ATOM 1513 C GLN A 101 -7.676 6.285 3.215 1.00 0.00 C ATOM 1514 O GLN A 101 -6.766 5.788 2.552 1.00 0.00 O ATOM 1515 CB GLN A 101 -8.113 8.686 2.668 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.460 8.277 2.094 1.00 0.00 C ATOM 1517 CD GLN A 101 -9.731 8.900 0.739 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -9.268 10.003 0.446 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -10.484 8.195 -0.098 1.00 0.00 N ATOM 0 H GLN A 101 -5.785 8.778 3.484 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.186 7.804 4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.201 9.679 3.108 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.389 8.760 1.857 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.498 7.191 2.004 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.249 8.567 2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -10.847 7.285 0.186 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.699 8.564 -1.024 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.786 5.623 3.529 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.981 4.253 3.095 1.00 0.00 C ATOM 1530 C GLY A 102 -7.785 3.372 3.399 1.00 0.00 C ATOM 1531 O GLY A 102 -7.334 2.610 2.544 1.00 0.00 O ATOM 0 H GLY A 102 -9.554 6.012 4.077 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.864 3.843 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.175 4.239 2.023 1.00 0.00 H new ATOM 1535 N SER A 103 -7.269 3.479 4.619 1.00 0.00 N ATOM 1536 CA SER A 103 -6.114 2.690 5.031 1.00 0.00 C ATOM 1537 C SER A 103 -6.042 2.585 6.552 1.00 0.00 C ATOM 1538 O SER A 103 -6.430 3.498 7.281 1.00 0.00 O ATOM 1539 CB SER A 103 -4.825 3.312 4.491 1.00 0.00 C ATOM 1540 OG SER A 103 -3.693 2.834 5.196 1.00 0.00 O ATOM 0 H SER A 103 -7.632 4.104 5.339 1.00 0.00 H new ATOM 0 HA SER A 103 -6.226 1.687 4.619 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.722 3.080 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.878 4.397 4.576 1.00 0.00 H new ATOM 0 HG SER A 103 -3.040 3.558 5.295 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.534 1.445 7.043 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.070 0.351 6.184 1.00 0.00 C ATOM 1548 C PRO A 104 -6.219 -0.353 5.470 1.00 0.00 C ATOM 1549 O PRO A 104 -7.389 -0.118 5.774 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.385 -0.603 7.165 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.036 -0.329 8.477 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.375 1.136 8.474 1.00 0.00 C ATOM 0 HA PRO A 104 -4.417 0.707 5.387 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.520 -1.642 6.866 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.311 -0.421 7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.932 -0.937 8.602 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.368 -0.573 9.303 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.289 1.338 9.033 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.584 1.733 8.929 1.00 0.00 H new ATOM 1560 N PHE A 105 -5.878 -1.218 4.521 1.00 0.00 N ATOM 1561 CA PHE A 105 -6.881 -1.956 3.763 1.00 0.00 C ATOM 1562 C PHE A 105 -6.487 -3.424 3.625 1.00 0.00 C ATOM 1563 O PHE A 105 -5.306 -3.755 3.523 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.066 -1.333 2.378 1.00 0.00 C ATOM 1565 CG PHE A 105 -5.809 -1.315 1.557 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.406 -2.442 0.857 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.029 -0.172 1.484 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.250 -2.428 0.100 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -3.872 -0.153 0.728 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.481 -1.283 0.037 1.00 0.00 C ATOM 0 H PHE A 105 -4.914 -1.425 4.259 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.824 -1.901 4.307 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -7.835 -1.887 1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.430 -0.312 2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.002 -3.341 0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.329 0.714 2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.948 -3.312 -0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.274 0.745 0.678 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.575 -1.271 -0.551 1.00 0.00 H new ATOM 1580 N THR A 106 -7.486 -4.301 3.622 1.00 0.00 N ATOM 1581 CA THR A 106 -7.246 -5.733 3.498 1.00 0.00 C ATOM 1582 C THR A 106 -7.102 -6.142 2.037 1.00 0.00 C ATOM 1583 O THR A 106 -7.677 -5.515 1.147 1.00 0.00 O ATOM 1584 CB THR A 106 -8.383 -6.552 4.139 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.617 -5.833 4.044 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.076 -6.853 5.598 1.00 0.00 C ATOM 0 H THR A 106 -8.470 -4.044 3.704 1.00 0.00 H new ATOM 0 HA THR A 106 -6.315 -5.944 4.025 1.00 0.00 H new ATOM 0 HB THR A 106 -8.471 -7.496 3.601 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.335 -6.360 4.452 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.892 -7.432 6.030 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.151 -7.425 5.665 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.965 -5.918 6.147 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.331 -7.198 1.795 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.114 -7.692 0.441 1.00 0.00 C ATOM 1596 C VAL A 107 -6.177 -9.215 0.395 1.00 0.00 C ATOM 1597 O VAL A 107 -5.438 -9.900 1.103 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.754 -7.228 -0.114 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.446 -7.929 -1.428 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.737 -5.718 -0.289 1.00 0.00 C ATOM 0 H VAL A 107 -5.846 -7.728 2.520 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.911 -7.280 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.978 -7.496 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.482 -7.588 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.413 -9.006 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.223 -7.695 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.769 -5.408 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.522 -5.424 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.908 -5.238 0.675 1.00 0.00 H new ATOM 1610 N THR A 108 -7.064 -9.739 -0.445 1.00 0.00 N ATOM 1611 CA THR A 108 -7.225 -11.181 -0.584 1.00 0.00 C ATOM 1612 C THR A 108 -6.220 -11.753 -1.577 1.00 0.00 C ATOM 1613 O THR A 108 -6.065 -11.240 -2.685 1.00 0.00 O ATOM 1614 CB THR A 108 -8.649 -11.546 -1.045 1.00 0.00 C ATOM 1615 OG1 THR A 108 -8.980 -12.870 -0.612 1.00 0.00 O ATOM 1616 CG2 THR A 108 -8.767 -11.457 -2.559 1.00 0.00 C ATOM 0 H THR A 108 -7.682 -9.186 -1.039 1.00 0.00 H new ATOM 0 HA THR A 108 -7.047 -11.615 0.400 1.00 0.00 H new ATOM 0 HB THR A 108 -9.345 -10.835 -0.600 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.887 -13.094 -0.908 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.781 -11.719 -2.861 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.543 -10.440 -2.882 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.061 -12.148 -3.020 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.538 -12.820 -1.173 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.548 -13.464 -2.028 1.00 0.00 C ATOM 1626 C VAL A 109 -5.097 -14.751 -2.632 1.00 0.00 C ATOM 1627 O VAL A 109 -5.616 -15.611 -1.920 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.257 -13.784 -1.250 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.227 -14.428 -2.166 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.697 -12.525 -0.606 1.00 0.00 C ATOM 0 H VAL A 109 -5.653 -13.257 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.316 -12.761 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.497 -14.493 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.322 -14.647 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.632 -15.354 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.988 -13.745 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.785 -12.770 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.471 -11.790 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.432 -12.111 0.084 1.00 0.00 H new ATOM 1640 N ARG A 110 -4.979 -14.877 -3.950 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.464 -16.060 -4.651 1.00 0.00 C ATOM 1642 C ARG A 110 -4.323 -17.035 -4.928 1.00 0.00 C ATOM 1643 O ARG A 110 -3.163 -16.748 -4.632 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.138 -15.660 -5.965 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.151 -14.538 -5.812 1.00 0.00 C ATOM 1646 CD ARG A 110 -8.550 -15.080 -5.565 1.00 0.00 C ATOM 1647 NE ARG A 110 -9.575 -14.056 -5.751 1.00 0.00 N ATOM 1648 CZ ARG A 110 -10.869 -14.326 -5.876 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -11.295 -15.581 -5.836 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -11.741 -13.339 -6.041 1.00 0.00 N ATOM 0 H ARG A 110 -4.552 -14.175 -4.554 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.195 -16.556 -4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.372 -15.352 -6.677 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.636 -16.532 -6.389 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.858 -13.893 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.152 -13.922 -6.711 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.741 -15.912 -6.243 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -8.612 -15.475 -4.551 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.281 -13.080 -5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.628 -16.342 -5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -12.290 -15.785 -5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -11.417 -12.372 -6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -12.735 -13.547 -6.137 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.661 -18.187 -5.497 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.665 -19.204 -5.812 1.00 0.00 C ATOM 1666 C ARG A 111 -3.099 -18.994 -7.214 1.00 0.00 C ATOM 1667 O ARG A 111 -3.823 -18.632 -8.141 1.00 0.00 O ATOM 1668 CB ARG A 111 -4.280 -20.601 -5.703 1.00 0.00 C ATOM 1669 CG ARG A 111 -5.311 -20.899 -6.780 1.00 0.00 C ATOM 1670 CD ARG A 111 -6.255 -22.012 -6.354 1.00 0.00 C ATOM 1671 NE ARG A 111 -5.567 -23.294 -6.226 1.00 0.00 N ATOM 1672 CZ ARG A 111 -6.194 -24.448 -6.027 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -7.517 -24.480 -5.934 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -5.499 -25.573 -5.920 1.00 0.00 N ATOM 0 H ARG A 111 -5.616 -18.440 -5.749 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.851 -19.115 -5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.484 -21.344 -5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.748 -20.707 -4.724 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -5.884 -19.997 -6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.804 -21.183 -7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.716 -21.751 -5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.060 -22.104 -7.083 1.00 0.00 H new ATOM 0 HE ARG A 111 -4.549 -23.304 -6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -8.055 -23.617 -6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.996 -25.367 -5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.482 -25.553 -5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -5.982 -26.458 -5.767 1.00 0.00 H new