USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 674 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 72 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 75 GLN : amide:sc=-0.000108 X(o=-0.00011,f=-0.066) USER MOD Set 2.1: A 46 CYS SG : rot 140:sc= -0.25 USER MOD Set 2.2: A 48 THR OG1 : rot 115:sc= 0.244 USER MOD Set 3.1: A 38 TYR OH : rot 180:sc= 0.425 USER MOD Set 3.2: A 42 LYS NZ :NH3+ -111:sc= 0.49 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -130:sc= 0.597 (180deg=-1.75!) USER MOD Single : A 18 HIS : no HD1:sc= -6.48! C(o=-6.5!,f=-6.8!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 24 GLN : amide:sc=-0.00136 X(o=-0.0014,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.298 K(o=-0.3,f=-11!) USER MOD Single : A 33 TYR OH : rot 165:sc= 0.36 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -6.48! C(o=-6.5!,f=-9.7!) USER MOD Single : A 45 ASN : amide:sc= -0.871 X(o=-0.87,f=-0.67) USER MOD Single : A 47 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -120:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc=-5.32e-05 X(o=-5.3e-05,f=0) USER MOD Single : A 80 TYR OH : rot -130:sc= -0.675 USER MOD Single : A 85 LYS NZ :NH3+ -154:sc= 0.00438 (180deg=-0.135) USER MOD Single : A 86 LYS NZ :NH3+ -148:sc= -0.177 (180deg=-0.88) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -10.631 17.689 -8.854 1.00 0.00 N ATOM 67 CA LEU A 8 -9.672 16.601 -8.701 1.00 0.00 C ATOM 68 C LEU A 8 -9.725 16.022 -7.291 1.00 0.00 C ATOM 69 O LEU A 8 -9.858 14.812 -7.111 1.00 0.00 O ATOM 70 CB LEU A 8 -8.257 17.095 -9.008 1.00 0.00 C ATOM 71 CG LEU A 8 -7.262 16.034 -9.479 1.00 0.00 C ATOM 72 CD1 LEU A 8 -6.792 15.186 -8.307 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.886 15.159 -10.556 1.00 0.00 C ATOM 0 HA LEU A 8 -9.937 15.814 -9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.322 17.868 -9.773 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.856 17.567 -8.111 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.396 16.539 -9.906 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.084 14.436 -8.661 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.306 15.823 -7.568 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.648 14.690 -7.850 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.164 14.409 -10.880 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.769 14.662 -10.155 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.173 15.778 -11.407 1.00 0.00 H new ATOM 85 N ALA A 9 -9.624 16.895 -6.294 1.00 0.00 N ATOM 86 CA ALA A 9 -9.665 16.471 -4.900 1.00 0.00 C ATOM 87 C ALA A 9 -10.899 15.619 -4.622 1.00 0.00 C ATOM 88 O ALA A 9 -10.789 14.490 -4.146 1.00 0.00 O ATOM 89 CB ALA A 9 -9.639 17.682 -3.979 1.00 0.00 C ATOM 0 H ALA A 9 -9.513 17.900 -6.426 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.783 15.861 -4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.670 17.350 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.725 18.250 -4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.503 18.314 -4.184 1.00 0.00 H new ATOM 95 N GLU A 10 -12.072 16.169 -4.921 1.00 0.00 N ATOM 96 CA GLU A 10 -13.326 15.458 -4.701 1.00 0.00 C ATOM 97 C GLU A 10 -13.159 13.965 -4.967 1.00 0.00 C ATOM 98 O GLU A 10 -13.526 13.130 -4.139 1.00 0.00 O ATOM 99 CB GLU A 10 -14.425 16.028 -5.600 1.00 0.00 C ATOM 100 CG GLU A 10 -13.991 16.225 -7.043 1.00 0.00 C ATOM 101 CD GLU A 10 -15.007 17.000 -7.858 1.00 0.00 C ATOM 102 OE1 GLU A 10 -15.296 18.160 -7.496 1.00 0.00 O ATOM 103 OE2 GLU A 10 -15.514 16.448 -8.856 1.00 0.00 O ATOM 0 H GLU A 10 -12.180 17.103 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.613 15.593 -3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.285 15.359 -5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.754 16.985 -5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.037 16.752 -7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.827 15.252 -7.505 1.00 0.00 H new ATOM 110 N LEU A 11 -12.604 13.635 -6.128 1.00 0.00 N ATOM 111 CA LEU A 11 -12.388 12.243 -6.505 1.00 0.00 C ATOM 112 C LEU A 11 -11.416 11.563 -5.546 1.00 0.00 C ATOM 113 O LEU A 11 -11.733 10.533 -4.951 1.00 0.00 O ATOM 114 CB LEU A 11 -11.854 12.158 -7.936 1.00 0.00 C ATOM 115 CG LEU A 11 -12.906 12.081 -9.043 1.00 0.00 C ATOM 116 CD1 LEU A 11 -13.830 10.894 -8.819 1.00 0.00 C ATOM 117 CD2 LEU A 11 -13.704 13.375 -9.110 1.00 0.00 C ATOM 0 H LEU A 11 -12.295 14.313 -6.825 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.346 11.725 -6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.225 13.029 -8.120 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.212 11.280 -8.011 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.395 11.943 -9.996 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.572 10.855 -9.616 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.247 9.973 -8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.334 11.002 -7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.448 13.303 -9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.205 13.543 -8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.031 14.207 -9.318 1.00 0.00 H new ATOM 129 N PHE A 12 -10.232 12.148 -5.399 1.00 0.00 N ATOM 130 CA PHE A 12 -9.214 11.600 -4.510 1.00 0.00 C ATOM 131 C PHE A 12 -9.827 11.169 -3.181 1.00 0.00 C ATOM 132 O PHE A 12 -9.437 10.154 -2.606 1.00 0.00 O ATOM 133 CB PHE A 12 -8.111 12.631 -4.266 1.00 0.00 C ATOM 134 CG PHE A 12 -7.008 12.131 -3.377 1.00 0.00 C ATOM 135 CD1 PHE A 12 -6.078 11.220 -3.851 1.00 0.00 C ATOM 136 CD2 PHE A 12 -6.903 12.571 -2.067 1.00 0.00 C ATOM 137 CE1 PHE A 12 -5.062 10.758 -3.036 1.00 0.00 C ATOM 138 CE2 PHE A 12 -5.889 12.112 -1.248 1.00 0.00 C ATOM 139 CZ PHE A 12 -4.968 11.204 -1.732 1.00 0.00 C ATOM 0 H PHE A 12 -9.954 13.001 -5.884 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.781 10.723 -4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.687 12.931 -5.224 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.551 13.523 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.148 10.867 -4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.621 13.280 -1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.342 10.049 -3.418 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.817 12.463 -0.229 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.176 10.843 -1.092 1.00 0.00 H new ATOM 149 N GLU A 13 -10.788 11.951 -2.698 1.00 0.00 N ATOM 150 CA GLU A 13 -11.454 11.652 -1.436 1.00 0.00 C ATOM 151 C GLU A 13 -12.237 10.346 -1.530 1.00 0.00 C ATOM 152 O GLU A 13 -12.056 9.439 -0.717 1.00 0.00 O ATOM 153 CB GLU A 13 -12.392 12.795 -1.045 1.00 0.00 C ATOM 154 CG GLU A 13 -11.729 14.162 -1.069 1.00 0.00 C ATOM 155 CD GLU A 13 -12.357 15.133 -0.088 1.00 0.00 C ATOM 156 OE1 GLU A 13 -13.515 15.542 -0.319 1.00 0.00 O ATOM 157 OE2 GLU A 13 -11.692 15.484 0.909 1.00 0.00 O ATOM 0 H GLU A 13 -11.122 12.796 -3.162 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.688 11.542 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.245 12.802 -1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.782 12.607 -0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.670 14.052 -0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.794 14.575 -2.075 1.00 0.00 H new ATOM 164 N LYS A 14 -13.110 10.258 -2.528 1.00 0.00 N ATOM 165 CA LYS A 14 -13.922 9.064 -2.731 1.00 0.00 C ATOM 166 C LYS A 14 -13.043 7.843 -2.981 1.00 0.00 C ATOM 167 O LYS A 14 -13.139 6.842 -2.272 1.00 0.00 O ATOM 168 CB LYS A 14 -14.878 9.267 -3.909 1.00 0.00 C ATOM 169 CG LYS A 14 -16.104 10.094 -3.563 1.00 0.00 C ATOM 170 CD LYS A 14 -16.763 10.662 -4.808 1.00 0.00 C ATOM 171 CE LYS A 14 -16.173 12.012 -5.185 1.00 0.00 C ATOM 172 NZ LYS A 14 -16.288 12.998 -4.074 1.00 0.00 N ATOM 0 H LYS A 14 -13.273 11.000 -3.209 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.502 8.892 -1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.340 9.753 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.200 8.293 -4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.820 9.476 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.818 10.909 -2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.638 9.965 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.835 10.767 -4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.124 11.888 -5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.684 12.398 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.700 13.882 -4.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.900 12.610 -3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.344 13.191 -3.682 1.00 0.00 H new ATOM 186 N ALA A 15 -12.185 7.935 -3.992 1.00 0.00 N ATOM 187 CA ALA A 15 -11.285 6.839 -4.332 1.00 0.00 C ATOM 188 C ALA A 15 -10.738 6.168 -3.077 1.00 0.00 C ATOM 189 O ALA A 15 -10.806 4.948 -2.934 1.00 0.00 O ATOM 190 CB ALA A 15 -10.144 7.344 -5.203 1.00 0.00 C ATOM 0 H ALA A 15 -12.094 8.757 -4.590 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.853 6.096 -4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.480 6.515 -5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.548 7.770 -6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.585 8.109 -4.663 1.00 0.00 H new ATOM 196 N ALA A 16 -10.196 6.973 -2.169 1.00 0.00 N ATOM 197 CA ALA A 16 -9.638 6.457 -0.925 1.00 0.00 C ATOM 198 C ALA A 16 -10.587 5.459 -0.271 1.00 0.00 C ATOM 199 O ALA A 16 -10.169 4.390 0.174 1.00 0.00 O ATOM 200 CB ALA A 16 -9.331 7.600 0.030 1.00 0.00 C ATOM 0 H ALA A 16 -10.131 7.986 -2.272 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.710 5.936 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.915 7.200 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.609 8.275 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.248 8.146 0.251 1.00 0.00 H new ATOM 206 N ALA A 17 -11.866 5.814 -0.215 1.00 0.00 N ATOM 207 CA ALA A 17 -12.875 4.949 0.384 1.00 0.00 C ATOM 208 C ALA A 17 -13.021 3.650 -0.403 1.00 0.00 C ATOM 209 O ALA A 17 -13.442 2.628 0.140 1.00 0.00 O ATOM 210 CB ALA A 17 -14.211 5.672 0.465 1.00 0.00 C ATOM 0 H ALA A 17 -12.229 6.696 -0.578 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.549 4.698 1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.954 5.014 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.103 6.568 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.534 5.953 -0.537 1.00 0.00 H new ATOM 216 N HIS A 18 -12.670 3.697 -1.684 1.00 0.00 N ATOM 217 CA HIS A 18 -12.763 2.524 -2.546 1.00 0.00 C ATOM 218 C HIS A 18 -11.567 1.600 -2.336 1.00 0.00 C ATOM 219 O HIS A 18 -11.687 0.379 -2.437 1.00 0.00 O ATOM 220 CB HIS A 18 -12.844 2.947 -4.012 1.00 0.00 C ATOM 221 CG HIS A 18 -13.615 1.991 -4.870 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.742 1.328 -4.432 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.417 1.589 -6.147 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.203 0.559 -5.402 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.417 0.699 -6.454 1.00 0.00 N ATOM 0 H HIS A 18 -12.319 4.535 -2.148 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.671 1.981 -2.282 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.308 3.932 -4.072 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.834 3.046 -4.409 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.621 1.909 -6.803 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.075 -0.076 -5.345 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.534 0.224 -7.349 1.00 0.00 H new ATOM 234 N LEU A 19 -10.413 2.191 -2.043 1.00 0.00 N ATOM 235 CA LEU A 19 -9.194 1.422 -1.820 1.00 0.00 C ATOM 236 C LEU A 19 -9.468 0.215 -0.928 1.00 0.00 C ATOM 237 O LEU A 19 -9.027 -0.896 -1.219 1.00 0.00 O ATOM 238 CB LEU A 19 -8.119 2.306 -1.186 1.00 0.00 C ATOM 239 CG LEU A 19 -6.670 1.925 -1.493 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.709 2.807 -0.711 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.426 0.457 -1.178 1.00 0.00 C ATOM 0 H LEU A 19 -10.297 3.200 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.837 1.064 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.281 3.333 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.256 2.292 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.491 2.082 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.683 2.521 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.866 3.850 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.888 2.683 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.390 0.204 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.623 0.274 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.090 -0.160 -1.784 1.00 0.00 H new ATOM 253 N GLN A 20 -10.200 0.442 0.158 1.00 0.00 N ATOM 254 CA GLN A 20 -10.534 -0.628 1.091 1.00 0.00 C ATOM 255 C GLN A 20 -11.378 -1.701 0.410 1.00 0.00 C ATOM 256 O GLN A 20 -11.318 -2.874 0.773 1.00 0.00 O ATOM 257 CB GLN A 20 -11.283 -0.064 2.299 1.00 0.00 C ATOM 258 CG GLN A 20 -10.484 0.962 3.087 1.00 0.00 C ATOM 259 CD GLN A 20 -9.644 0.332 4.180 1.00 0.00 C ATOM 260 OE1 GLN A 20 -10.168 -0.324 5.081 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.333 0.528 4.108 1.00 0.00 N ATOM 0 H GLN A 20 -10.573 1.356 0.413 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.604 -1.084 1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.211 0.395 1.958 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.557 -0.885 2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.834 1.512 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.167 1.686 3.531 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.941 1.078 3.344 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.718 0.128 4.817 1.00 0.00 H new ATOM 270 N GLY A 21 -12.164 -1.289 -0.580 1.00 0.00 N ATOM 271 CA GLY A 21 -13.009 -2.227 -1.295 1.00 0.00 C ATOM 272 C GLY A 21 -12.299 -2.865 -2.473 1.00 0.00 C ATOM 273 O GLY A 21 -12.814 -3.802 -3.085 1.00 0.00 O ATOM 0 H GLY A 21 -12.231 -0.323 -0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.342 -3.007 -0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.901 -1.711 -1.649 1.00 0.00 H new ATOM 277 N LEU A 22 -11.114 -2.357 -2.793 1.00 0.00 N ATOM 278 CA LEU A 22 -10.332 -2.883 -3.907 1.00 0.00 C ATOM 279 C LEU A 22 -9.070 -3.578 -3.407 1.00 0.00 C ATOM 280 O LEU A 22 -8.158 -3.864 -4.183 1.00 0.00 O ATOM 281 CB LEU A 22 -9.959 -1.755 -4.871 1.00 0.00 C ATOM 282 CG LEU A 22 -11.112 -0.871 -5.348 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.590 0.265 -6.214 1.00 0.00 C ATOM 284 CD2 LEU A 22 -12.137 -1.697 -6.111 1.00 0.00 C ATOM 0 H LEU A 22 -10.674 -1.582 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.943 -3.616 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.217 -1.120 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.479 -2.195 -5.745 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.600 -0.440 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.424 0.884 -6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.894 0.873 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.077 -0.146 -7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.950 -1.052 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.662 -2.156 -6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.534 -2.476 -5.460 1.00 0.00 H new ATOM 296 N ILE A 23 -9.026 -3.848 -2.106 1.00 0.00 N ATOM 297 CA ILE A 23 -7.877 -4.513 -1.504 1.00 0.00 C ATOM 298 C ILE A 23 -7.706 -5.924 -2.056 1.00 0.00 C ATOM 299 O ILE A 23 -6.585 -6.402 -2.227 1.00 0.00 O ATOM 300 CB ILE A 23 -8.010 -4.586 0.029 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.211 -3.186 0.613 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.781 -5.247 0.636 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.004 -2.288 0.459 1.00 0.00 C ATOM 0 H ILE A 23 -9.772 -3.617 -1.450 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.999 -3.918 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.883 -5.190 0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.067 -2.718 0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.455 -3.274 1.672 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.890 -5.291 1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.678 -6.257 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.894 -4.666 0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.218 -1.312 0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.151 -2.734 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.772 -2.169 -0.599 1.00 0.00 H new ATOM 315 N GLN A 24 -8.826 -6.584 -2.334 1.00 0.00 N ATOM 316 CA GLN A 24 -8.800 -7.940 -2.869 1.00 0.00 C ATOM 317 C GLN A 24 -8.297 -7.948 -4.308 1.00 0.00 C ATOM 318 O GLN A 24 -7.843 -8.976 -4.813 1.00 0.00 O ATOM 319 CB GLN A 24 -10.194 -8.565 -2.799 1.00 0.00 C ATOM 320 CG GLN A 24 -10.893 -8.348 -1.467 1.00 0.00 C ATOM 321 CD GLN A 24 -12.330 -8.830 -1.476 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.682 -9.782 -0.779 1.00 0.00 O ATOM 323 NE2 GLN A 24 -13.170 -8.174 -2.268 1.00 0.00 N ATOM 0 H GLN A 24 -9.762 -6.202 -2.198 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.114 -8.530 -2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.810 -8.148 -3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.113 -9.636 -2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.344 -8.870 -0.684 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.871 -7.287 -1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.835 -7.390 -2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.150 -8.454 -2.316 1.00 0.00 H new ATOM 332 N VAL A 25 -8.381 -6.796 -4.966 1.00 0.00 N ATOM 333 CA VAL A 25 -7.933 -6.670 -6.348 1.00 0.00 C ATOM 334 C VAL A 25 -6.601 -5.933 -6.430 1.00 0.00 C ATOM 335 O VAL A 25 -5.895 -6.015 -7.434 1.00 0.00 O ATOM 336 CB VAL A 25 -8.972 -5.927 -7.209 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.272 -6.715 -7.276 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.215 -4.529 -6.661 1.00 0.00 C ATOM 0 H VAL A 25 -8.755 -5.936 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.809 -7.682 -6.733 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.579 -5.833 -8.221 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.994 -6.175 -7.888 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.082 -7.693 -7.717 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.673 -6.842 -6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.952 -4.018 -7.281 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.587 -4.598 -5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.281 -3.967 -6.670 1.00 0.00 H new ATOM 348 N ALA A 26 -6.264 -5.213 -5.365 1.00 0.00 N ATOM 349 CA ALA A 26 -5.015 -4.463 -5.315 1.00 0.00 C ATOM 350 C ALA A 26 -3.858 -5.352 -4.873 1.00 0.00 C ATOM 351 O ALA A 26 -3.924 -6.001 -3.829 1.00 0.00 O ATOM 352 CB ALA A 26 -5.153 -3.270 -4.380 1.00 0.00 C ATOM 0 H ALA A 26 -6.838 -5.133 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.797 -4.101 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.213 -2.719 -4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.947 -2.616 -4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.398 -3.620 -3.377 1.00 0.00 H new ATOM 358 N SER A 27 -2.798 -5.378 -5.675 1.00 0.00 N ATOM 359 CA SER A 27 -1.628 -6.192 -5.369 1.00 0.00 C ATOM 360 C SER A 27 -0.736 -5.498 -4.344 1.00 0.00 C ATOM 361 O SER A 27 -0.770 -4.275 -4.202 1.00 0.00 O ATOM 362 CB SER A 27 -0.832 -6.478 -6.644 1.00 0.00 C ATOM 363 OG SER A 27 -1.567 -7.304 -7.530 1.00 0.00 O ATOM 0 H SER A 27 -2.726 -4.845 -6.541 1.00 0.00 H new ATOM 0 HA SER A 27 -1.973 -7.135 -4.945 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.583 -5.539 -7.139 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.110 -6.963 -6.387 1.00 0.00 H new ATOM 0 HG SER A 27 -1.037 -7.470 -8.337 1.00 0.00 H new ATOM 369 N ARG A 28 0.061 -6.287 -3.632 1.00 0.00 N ATOM 370 CA ARG A 28 0.961 -5.750 -2.618 1.00 0.00 C ATOM 371 C ARG A 28 1.485 -4.377 -3.030 1.00 0.00 C ATOM 372 O ARG A 28 1.395 -3.415 -2.268 1.00 0.00 O ATOM 373 CB ARG A 28 2.132 -6.706 -2.387 1.00 0.00 C ATOM 374 CG ARG A 28 1.705 -8.097 -1.947 1.00 0.00 C ATOM 375 CD ARG A 28 1.581 -8.188 -0.434 1.00 0.00 C ATOM 376 NE ARG A 28 1.491 -9.572 0.026 1.00 0.00 N ATOM 377 CZ ARG A 28 1.101 -9.916 1.248 1.00 0.00 C ATOM 378 NH1 ARG A 28 0.767 -8.983 2.128 1.00 0.00 N ATOM 379 NH2 ARG A 28 1.045 -11.197 1.591 1.00 0.00 N ATOM 0 H ARG A 28 0.102 -7.301 -3.738 1.00 0.00 H new ATOM 0 HA ARG A 28 0.400 -5.643 -1.690 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.711 -6.787 -3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.793 -6.282 -1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.750 -8.348 -2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.431 -8.830 -2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.442 -7.707 0.030 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.697 -7.640 -0.109 1.00 0.00 H new ATOM 0 HE ARG A 28 1.741 -10.314 -0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.809 -7.998 1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.468 -9.250 3.066 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.302 -11.917 0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.745 -11.461 2.530 1.00 0.00 H new ATOM 393 N GLU A 29 2.032 -4.296 -4.239 1.00 0.00 N ATOM 394 CA GLU A 29 2.571 -3.041 -4.749 1.00 0.00 C ATOM 395 C GLU A 29 1.522 -1.934 -4.690 1.00 0.00 C ATOM 396 O GLU A 29 1.716 -0.918 -4.023 1.00 0.00 O ATOM 397 CB GLU A 29 3.059 -3.218 -6.189 1.00 0.00 C ATOM 398 CG GLU A 29 4.269 -4.130 -6.313 1.00 0.00 C ATOM 399 CD GLU A 29 3.887 -5.593 -6.427 1.00 0.00 C ATOM 400 OE1 GLU A 29 2.801 -5.883 -6.971 1.00 0.00 O ATOM 401 OE2 GLU A 29 4.676 -6.448 -5.973 1.00 0.00 O ATOM 0 H GLU A 29 2.113 -5.083 -4.882 1.00 0.00 H new ATOM 0 HA GLU A 29 3.413 -2.755 -4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.246 -3.622 -6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.307 -2.241 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.849 -3.840 -7.189 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.913 -3.993 -5.444 1.00 0.00 H new ATOM 408 N GLN A 30 0.413 -2.139 -5.392 1.00 0.00 N ATOM 409 CA GLN A 30 -0.666 -1.158 -5.419 1.00 0.00 C ATOM 410 C GLN A 30 -0.865 -0.529 -4.045 1.00 0.00 C ATOM 411 O GLN A 30 -0.811 0.693 -3.895 1.00 0.00 O ATOM 412 CB GLN A 30 -1.967 -1.812 -5.887 1.00 0.00 C ATOM 413 CG GLN A 30 -2.166 -1.763 -7.394 1.00 0.00 C ATOM 414 CD GLN A 30 -1.325 -2.789 -8.127 1.00 0.00 C ATOM 415 OE1 GLN A 30 -0.334 -3.290 -7.596 1.00 0.00 O ATOM 416 NE2 GLN A 30 -1.717 -3.107 -9.355 1.00 0.00 N ATOM 0 H GLN A 30 0.238 -2.975 -5.950 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.390 -0.372 -6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.979 -2.852 -5.561 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.808 -1.317 -5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.218 -1.931 -7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.915 -0.766 -7.758 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.545 -2.667 -9.756 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.190 -3.792 -9.897 1.00 0.00 H new ATOM 425 N LEU A 31 -1.095 -1.370 -3.042 1.00 0.00 N ATOM 426 CA LEU A 31 -1.303 -0.896 -1.678 1.00 0.00 C ATOM 427 C LEU A 31 -0.294 0.190 -1.320 1.00 0.00 C ATOM 428 O LEU A 31 -0.631 1.171 -0.655 1.00 0.00 O ATOM 429 CB LEU A 31 -1.190 -2.059 -0.691 1.00 0.00 C ATOM 430 CG LEU A 31 -2.411 -2.974 -0.589 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.559 -2.257 0.106 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.837 -3.451 -1.970 1.00 0.00 C ATOM 0 H LEU A 31 -1.142 -2.383 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.305 -0.470 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.329 -2.665 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.983 -1.651 0.298 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.139 -3.845 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.419 -2.924 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.251 -1.965 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.830 -1.368 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.707 -4.101 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.090 -2.591 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.019 -4.003 -2.433 1.00 0.00 H new ATOM 444 N LEU A 32 0.944 0.010 -1.765 1.00 0.00 N ATOM 445 CA LEU A 32 2.003 0.977 -1.494 1.00 0.00 C ATOM 446 C LEU A 32 1.948 2.138 -2.481 1.00 0.00 C ATOM 447 O LEU A 32 1.928 3.303 -2.085 1.00 0.00 O ATOM 448 CB LEU A 32 3.371 0.297 -1.565 1.00 0.00 C ATOM 449 CG LEU A 32 4.493 0.961 -0.765 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.539 0.407 0.651 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.832 0.764 -1.461 1.00 0.00 C ATOM 0 H LEU A 32 1.240 -0.796 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 32 1.851 1.372 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.262 -0.730 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.677 0.249 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 32 4.289 2.030 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.343 0.891 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.588 0.600 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.718 -0.668 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.619 1.243 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.043 -0.302 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.794 1.210 -2.455 1.00 0.00 H new ATOM 463 N TYR A 33 1.921 1.811 -3.769 1.00 0.00 N ATOM 464 CA TYR A 33 1.868 2.827 -4.814 1.00 0.00 C ATOM 465 C TYR A 33 0.926 3.962 -4.423 1.00 0.00 C ATOM 466 O TYR A 33 1.197 5.132 -4.696 1.00 0.00 O ATOM 467 CB TYR A 33 1.414 2.205 -6.136 1.00 0.00 C ATOM 468 CG TYR A 33 1.565 3.129 -7.323 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.804 3.326 -7.921 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.470 3.806 -7.845 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.947 4.170 -9.006 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.604 4.651 -8.930 1.00 0.00 C ATOM 473 CZ TYR A 33 1.844 4.830 -9.507 1.00 0.00 C ATOM 474 OH TYR A 33 1.982 5.671 -10.587 1.00 0.00 O ATOM 0 H TYR A 33 1.935 0.851 -4.114 1.00 0.00 H new ATOM 0 HA TYR A 33 2.870 3.237 -4.938 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.989 1.297 -6.317 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.369 1.908 -6.048 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.670 2.811 -7.531 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.502 3.670 -7.395 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.917 4.312 -9.459 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.258 5.169 -9.324 1.00 0.00 H new ATOM 0 HH TYR A 33 1.099 5.867 -10.964 1.00 0.00 H new ATOM 484 N LEU A 34 -0.182 3.607 -3.781 1.00 0.00 N ATOM 485 CA LEU A 34 -1.166 4.595 -3.351 1.00 0.00 C ATOM 486 C LEU A 34 -0.676 5.351 -2.120 1.00 0.00 C ATOM 487 O LEU A 34 -0.958 6.538 -1.956 1.00 0.00 O ATOM 488 CB LEU A 34 -2.502 3.914 -3.047 1.00 0.00 C ATOM 489 CG LEU A 34 -3.062 3.014 -4.149 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.447 2.510 -3.773 1.00 0.00 C ATOM 491 CD2 LEU A 34 -3.106 3.759 -5.475 1.00 0.00 C ATOM 0 H LEU A 34 -0.421 2.644 -3.547 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.306 5.310 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.385 3.317 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.239 4.686 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.402 2.154 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.830 1.871 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.387 1.939 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.118 3.358 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.507 3.103 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.744 4.638 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.099 4.071 -5.751 1.00 0.00 H new ATOM 503 N TYR A 35 0.060 4.657 -1.260 1.00 0.00 N ATOM 504 CA TYR A 35 0.589 5.262 -0.044 1.00 0.00 C ATOM 505 C TYR A 35 1.568 6.385 -0.375 1.00 0.00 C ATOM 506 O TYR A 35 1.526 7.458 0.226 1.00 0.00 O ATOM 507 CB TYR A 35 1.282 4.205 0.818 1.00 0.00 C ATOM 508 CG TYR A 35 2.151 4.788 1.909 1.00 0.00 C ATOM 509 CD1 TYR A 35 3.310 5.490 1.600 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.815 4.636 3.249 1.00 0.00 C ATOM 511 CE1 TYR A 35 4.108 6.023 2.593 1.00 0.00 C ATOM 512 CE2 TYR A 35 2.606 5.168 4.248 1.00 0.00 C ATOM 513 CZ TYR A 35 3.752 5.860 3.916 1.00 0.00 C ATOM 514 OH TYR A 35 4.544 6.390 4.909 1.00 0.00 O ATOM 0 H TYR A 35 0.304 3.674 -1.382 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.247 5.685 0.513 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.525 3.565 1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.894 3.570 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.591 5.621 0.566 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.920 4.093 3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.006 6.565 2.335 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.329 5.043 5.284 1.00 0.00 H new ATOM 0 HH TYR A 35 4.152 6.187 5.784 1.00 0.00 H new ATOM 524 N ALA A 36 2.448 6.128 -1.337 1.00 0.00 N ATOM 525 CA ALA A 36 3.436 7.116 -1.752 1.00 0.00 C ATOM 526 C ALA A 36 2.765 8.420 -2.172 1.00 0.00 C ATOM 527 O ALA A 36 2.970 9.462 -1.549 1.00 0.00 O ATOM 528 CB ALA A 36 4.285 6.568 -2.890 1.00 0.00 C ATOM 0 H ALA A 36 2.497 5.244 -1.844 1.00 0.00 H new ATOM 0 HA ALA A 36 4.082 7.327 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.019 7.316 -3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.801 5.667 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.645 6.327 -3.739 1.00 0.00 H new ATOM 534 N ARG A 37 1.965 8.355 -3.230 1.00 0.00 N ATOM 535 CA ARG A 37 1.266 9.531 -3.733 1.00 0.00 C ATOM 536 C ARG A 37 0.349 10.118 -2.663 1.00 0.00 C ATOM 537 O ARG A 37 0.388 11.318 -2.388 1.00 0.00 O ATOM 538 CB ARG A 37 0.451 9.173 -4.978 1.00 0.00 C ATOM 539 CG ARG A 37 1.283 8.574 -6.099 1.00 0.00 C ATOM 540 CD ARG A 37 0.497 8.500 -7.398 1.00 0.00 C ATOM 541 NE ARG A 37 1.338 8.111 -8.527 1.00 0.00 N ATOM 542 CZ ARG A 37 2.289 8.886 -9.037 1.00 0.00 C ATOM 543 NH1 ARG A 37 2.517 10.086 -8.522 1.00 0.00 N ATOM 544 NH2 ARG A 37 3.013 8.461 -10.064 1.00 0.00 N ATOM 0 H ARG A 37 1.784 7.500 -3.756 1.00 0.00 H new ATOM 0 HA ARG A 37 2.012 10.280 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.330 8.466 -4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.047 10.070 -5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.180 9.175 -6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.613 7.575 -5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.317 7.783 -7.289 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.042 9.469 -7.602 1.00 0.00 H new ATOM 0 HE ARG A 37 1.187 7.194 -8.947 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.962 10.416 -7.733 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.248 10.679 -8.915 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.840 7.538 -10.463 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.743 9.057 -10.455 1.00 0.00 H new ATOM 558 N TYR A 38 -0.474 9.265 -2.065 1.00 0.00 N ATOM 559 CA TYR A 38 -1.402 9.699 -1.027 1.00 0.00 C ATOM 560 C TYR A 38 -0.677 10.491 0.056 1.00 0.00 C ATOM 561 O TYR A 38 -1.152 11.535 0.503 1.00 0.00 O ATOM 562 CB TYR A 38 -2.108 8.492 -0.407 1.00 0.00 C ATOM 563 CG TYR A 38 -3.059 8.855 0.710 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.585 9.326 1.928 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.433 8.726 0.548 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.450 9.659 2.952 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.307 9.058 1.566 1.00 0.00 C ATOM 568 CZ TYR A 38 -4.810 9.523 2.766 1.00 0.00 C ATOM 569 OH TYR A 38 -5.677 9.853 3.783 1.00 0.00 O ATOM 0 H TYR A 38 -0.518 8.269 -2.281 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.146 10.348 -1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.660 7.965 -1.186 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.358 7.800 -0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.521 9.434 2.077 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.825 8.360 -0.390 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.064 10.024 3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.372 8.954 1.423 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.599 9.700 3.489 1.00 0.00 H new ATOM 579 N LYS A 39 0.479 9.987 0.475 1.00 0.00 N ATOM 580 CA LYS A 39 1.274 10.645 1.504 1.00 0.00 C ATOM 581 C LYS A 39 1.944 11.900 0.955 1.00 0.00 C ATOM 582 O LYS A 39 2.350 12.780 1.713 1.00 0.00 O ATOM 583 CB LYS A 39 2.334 9.686 2.051 1.00 0.00 C ATOM 584 CG LYS A 39 1.798 8.716 3.090 1.00 0.00 C ATOM 585 CD LYS A 39 1.570 9.401 4.427 1.00 0.00 C ATOM 586 CE LYS A 39 2.874 9.909 5.022 1.00 0.00 C ATOM 587 NZ LYS A 39 2.730 10.248 6.465 1.00 0.00 N ATOM 0 H LYS A 39 0.886 9.123 0.117 1.00 0.00 H new ATOM 0 HA LYS A 39 0.604 10.936 2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.761 9.120 1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.144 10.267 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.862 8.284 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.501 7.893 3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.879 10.234 4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.100 8.702 5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.648 9.150 4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.205 10.791 4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.640 10.590 6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.010 10.990 6.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.439 9.401 6.993 1.00 0.00 H new ATOM 601 N GLN A 40 2.055 11.975 -0.368 1.00 0.00 N ATOM 602 CA GLN A 40 2.676 13.124 -1.017 1.00 0.00 C ATOM 603 C GLN A 40 1.689 14.280 -1.138 1.00 0.00 C ATOM 604 O GLN A 40 2.071 15.447 -1.058 1.00 0.00 O ATOM 605 CB GLN A 40 3.195 12.734 -2.402 1.00 0.00 C ATOM 606 CG GLN A 40 3.927 13.859 -3.117 1.00 0.00 C ATOM 607 CD GLN A 40 5.277 14.163 -2.497 1.00 0.00 C ATOM 608 OE1 GLN A 40 5.808 13.370 -1.718 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.840 15.315 -2.841 1.00 0.00 N ATOM 0 H GLN A 40 1.724 11.255 -1.010 1.00 0.00 H new ATOM 0 HA GLN A 40 3.514 13.449 -0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.866 11.881 -2.302 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.356 12.409 -3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.065 13.590 -4.164 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.311 14.758 -3.097 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.364 15.942 -3.490 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.749 15.573 -2.456 1.00 0.00 H new ATOM 618 N VAL A 41 0.416 13.947 -1.333 1.00 0.00 N ATOM 619 CA VAL A 41 -0.627 14.958 -1.464 1.00 0.00 C ATOM 620 C VAL A 41 -0.999 15.543 -0.106 1.00 0.00 C ATOM 621 O VAL A 41 -1.467 16.678 -0.014 1.00 0.00 O ATOM 622 CB VAL A 41 -1.890 14.377 -2.126 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.516 13.450 -3.272 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.743 13.650 -1.097 1.00 0.00 C ATOM 0 H VAL A 41 0.083 12.986 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.225 15.749 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.476 15.200 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.422 13.050 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.950 14.006 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.908 12.629 -2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.632 13.245 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.167 12.836 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.042 14.347 -0.314 1.00 0.00 H new ATOM 634 N LYS A 42 -0.789 14.760 0.947 1.00 0.00 N ATOM 635 CA LYS A 42 -1.101 15.199 2.301 1.00 0.00 C ATOM 636 C LYS A 42 0.079 15.943 2.918 1.00 0.00 C ATOM 637 O LYS A 42 -0.076 17.041 3.451 1.00 0.00 O ATOM 638 CB LYS A 42 -1.474 13.999 3.175 1.00 0.00 C ATOM 639 CG LYS A 42 -2.706 13.254 2.691 1.00 0.00 C ATOM 640 CD LYS A 42 -3.917 14.168 2.615 1.00 0.00 C ATOM 641 CE LYS A 42 -5.174 13.399 2.236 1.00 0.00 C ATOM 642 NZ LYS A 42 -5.892 12.885 3.435 1.00 0.00 N ATOM 0 H LYS A 42 -0.404 13.817 0.888 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.950 15.881 2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.631 13.308 3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.645 14.342 4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.510 12.826 1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.918 12.423 3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.065 14.658 3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.735 14.954 1.882 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.838 14.048 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.908 12.565 1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.818 11.848 3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.466 13.288 4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.894 13.159 3.384 1.00 0.00 H new ATOM 656 N VAL A 43 1.260 15.337 2.840 1.00 0.00 N ATOM 657 CA VAL A 43 2.468 15.943 3.388 1.00 0.00 C ATOM 658 C VAL A 43 3.164 16.817 2.350 1.00 0.00 C ATOM 659 O VAL A 43 3.244 18.035 2.502 1.00 0.00 O ATOM 660 CB VAL A 43 3.456 14.873 3.887 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.587 15.516 4.675 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.733 13.832 4.729 1.00 0.00 C ATOM 0 H VAL A 43 1.406 14.427 2.403 1.00 0.00 H new ATOM 0 HA VAL A 43 2.158 16.561 4.230 1.00 0.00 H new ATOM 0 HB VAL A 43 3.888 14.371 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.275 14.744 5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.121 16.220 4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.176 16.046 5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.446 13.083 5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.272 14.317 5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.962 13.349 4.128 1.00 0.00 H new ATOM 672 N GLY A 44 3.665 16.185 1.293 1.00 0.00 N ATOM 673 CA GLY A 44 4.348 16.921 0.244 1.00 0.00 C ATOM 674 C GLY A 44 5.807 16.529 0.117 1.00 0.00 C ATOM 675 O GLY A 44 6.123 15.385 -0.206 1.00 0.00 O ATOM 0 H GLY A 44 3.610 15.177 1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.844 16.746 -0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.278 17.989 0.449 1.00 0.00 H new ATOM 679 N ASN A 45 6.698 17.482 0.370 1.00 0.00 N ATOM 680 CA ASN A 45 8.132 17.232 0.279 1.00 0.00 C ATOM 681 C ASN A 45 8.610 16.379 1.450 1.00 0.00 C ATOM 682 O ASN A 45 8.740 16.866 2.574 1.00 0.00 O ATOM 683 CB ASN A 45 8.901 18.554 0.249 1.00 0.00 C ATOM 684 CG ASN A 45 8.582 19.381 -0.981 1.00 0.00 C ATOM 685 OD1 ASN A 45 7.497 19.952 -1.095 1.00 0.00 O ATOM 686 ND2 ASN A 45 9.528 19.448 -1.911 1.00 0.00 N ATOM 0 H ASN A 45 6.452 18.435 0.640 1.00 0.00 H new ATOM 0 HA ASN A 45 8.323 16.688 -0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.662 19.130 1.143 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.971 18.349 0.278 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.370 19.989 -2.761 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.413 18.959 -1.775 1.00 0.00 H new ATOM 693 N CYS A 46 8.869 15.105 1.180 1.00 0.00 N ATOM 694 CA CYS A 46 9.333 14.183 2.211 1.00 0.00 C ATOM 695 C CYS A 46 10.303 14.875 3.162 1.00 0.00 C ATOM 696 O CYS A 46 11.413 15.241 2.776 1.00 0.00 O ATOM 697 CB CYS A 46 10.006 12.967 1.572 1.00 0.00 C ATOM 698 SG CYS A 46 10.496 11.689 2.754 1.00 0.00 S ATOM 0 H CYS A 46 8.766 14.686 0.256 1.00 0.00 H new ATOM 0 HA CYS A 46 8.467 13.851 2.783 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.325 12.530 0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.889 13.299 1.025 1.00 0.00 H new ATOM 0 HG CYS A 46 10.248 10.516 2.252 1.00 0.00 H new ATOM 704 N ASN A 47 9.876 15.054 4.408 1.00 0.00 N ATOM 705 CA ASN A 47 10.707 15.704 5.415 1.00 0.00 C ATOM 706 C ASN A 47 10.890 14.805 6.634 1.00 0.00 C ATOM 707 O ASN A 47 10.933 15.280 7.769 1.00 0.00 O ATOM 708 CB ASN A 47 10.082 17.035 5.839 1.00 0.00 C ATOM 709 CG ASN A 47 8.900 16.849 6.770 1.00 0.00 C ATOM 710 OD1 ASN A 47 9.059 16.798 7.990 1.00 0.00 O ATOM 711 ND2 ASN A 47 7.706 16.746 6.198 1.00 0.00 N ATOM 0 H ASN A 47 8.960 14.758 4.744 1.00 0.00 H new ATOM 0 HA ASN A 47 11.686 15.892 4.975 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.837 17.647 6.333 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.760 17.581 4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.874 16.619 6.774 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.621 16.794 5.183 1.00 0.00 H new ATOM 718 N THR A 48 10.998 13.503 6.390 1.00 0.00 N ATOM 719 CA THR A 48 11.175 12.536 7.467 1.00 0.00 C ATOM 720 C THR A 48 12.513 11.816 7.344 1.00 0.00 C ATOM 721 O THR A 48 13.049 11.633 6.250 1.00 0.00 O ATOM 722 CB THR A 48 10.043 11.492 7.477 1.00 0.00 C ATOM 723 OG1 THR A 48 9.778 11.042 6.144 1.00 0.00 O ATOM 724 CG2 THR A 48 8.774 12.076 8.081 1.00 0.00 C ATOM 0 H THR A 48 10.966 13.094 5.456 1.00 0.00 H new ATOM 0 HA THR A 48 11.151 13.096 8.402 1.00 0.00 H new ATOM 0 HB THR A 48 10.364 10.648 8.088 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.998 10.090 6.070 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.988 11.321 8.077 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.970 12.391 9.106 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.453 12.936 7.493 1.00 0.00 H new ATOM 732 N PRO A 49 13.067 11.395 8.490 1.00 0.00 N ATOM 733 CA PRO A 49 14.350 10.687 8.536 1.00 0.00 C ATOM 734 C PRO A 49 14.257 9.281 7.951 1.00 0.00 C ATOM 735 O PRO A 49 13.248 8.595 8.115 1.00 0.00 O ATOM 736 CB PRO A 49 14.666 10.623 10.033 1.00 0.00 C ATOM 737 CG PRO A 49 13.339 10.703 10.704 1.00 0.00 C ATOM 738 CD PRO A 49 12.484 11.578 9.830 1.00 0.00 C ATOM 0 HA PRO A 49 15.115 11.191 7.946 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.184 9.699 10.289 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.313 11.446 10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.898 9.713 10.815 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.433 11.124 11.705 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.438 11.274 9.858 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.522 12.621 10.146 1.00 0.00 H new ATOM 746 N LYS A 50 15.316 8.858 7.270 1.00 0.00 N ATOM 747 CA LYS A 50 15.356 7.534 6.662 1.00 0.00 C ATOM 748 C LYS A 50 15.097 6.449 7.702 1.00 0.00 C ATOM 749 O LYS A 50 15.633 6.478 8.810 1.00 0.00 O ATOM 750 CB LYS A 50 16.711 7.299 5.990 1.00 0.00 C ATOM 751 CG LYS A 50 16.682 6.219 4.922 1.00 0.00 C ATOM 752 CD LYS A 50 17.926 6.262 4.052 1.00 0.00 C ATOM 753 CE LYS A 50 17.721 7.142 2.828 1.00 0.00 C ATOM 754 NZ LYS A 50 18.951 7.226 1.993 1.00 0.00 N ATOM 0 H LYS A 50 16.159 9.414 7.125 1.00 0.00 H new ATOM 0 HA LYS A 50 14.570 7.484 5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.051 8.232 5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.442 7.026 6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.601 5.240 5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.797 6.346 4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.766 6.639 4.635 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.185 5.252 3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.902 6.745 2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.428 8.143 3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.770 7.834 1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.727 7.628 2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.216 6.274 1.669 1.00 0.00 H new ATOM 768 N PRO A 51 14.258 5.468 7.340 1.00 0.00 N ATOM 769 CA PRO A 51 13.911 4.355 8.228 1.00 0.00 C ATOM 770 C PRO A 51 15.082 3.403 8.449 1.00 0.00 C ATOM 771 O PRO A 51 16.145 3.562 7.849 1.00 0.00 O ATOM 772 CB PRO A 51 12.779 3.644 7.481 1.00 0.00 C ATOM 773 CG PRO A 51 13.000 3.984 6.047 1.00 0.00 C ATOM 774 CD PRO A 51 13.582 5.370 6.035 1.00 0.00 C ATOM 0 HA PRO A 51 13.633 4.700 9.224 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.814 2.567 7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.802 3.986 7.823 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.678 3.272 5.577 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.064 3.949 5.489 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.281 5.505 5.209 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.808 6.130 5.925 1.00 0.00 H new ATOM 782 N SER A 52 14.880 2.415 9.315 1.00 0.00 N ATOM 783 CA SER A 52 15.921 1.440 9.618 1.00 0.00 C ATOM 784 C SER A 52 16.069 0.432 8.482 1.00 0.00 C ATOM 785 O SER A 52 15.195 0.315 7.622 1.00 0.00 O ATOM 786 CB SER A 52 15.600 0.709 10.923 1.00 0.00 C ATOM 787 OG SER A 52 16.774 0.172 11.508 1.00 0.00 O ATOM 0 H SER A 52 14.005 2.269 9.819 1.00 0.00 H new ATOM 0 HA SER A 52 16.864 1.976 9.731 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.124 1.397 11.621 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.887 -0.092 10.729 1.00 0.00 H new ATOM 0 HG SER A 52 16.543 -0.289 12.342 1.00 0.00 H new ATOM 793 N PHE A 53 17.183 -0.293 8.484 1.00 0.00 N ATOM 794 CA PHE A 53 17.448 -1.290 7.454 1.00 0.00 C ATOM 795 C PHE A 53 16.691 -2.584 7.741 1.00 0.00 C ATOM 796 O PHE A 53 16.303 -3.306 6.823 1.00 0.00 O ATOM 797 CB PHE A 53 18.949 -1.574 7.363 1.00 0.00 C ATOM 798 CG PHE A 53 19.269 -2.942 6.831 1.00 0.00 C ATOM 799 CD1 PHE A 53 18.993 -3.269 5.513 1.00 0.00 C ATOM 800 CD2 PHE A 53 19.846 -3.900 7.649 1.00 0.00 C ATOM 801 CE1 PHE A 53 19.286 -4.527 5.022 1.00 0.00 C ATOM 802 CE2 PHE A 53 20.142 -5.159 7.163 1.00 0.00 C ATOM 803 CZ PHE A 53 19.863 -5.473 5.847 1.00 0.00 C ATOM 0 H PHE A 53 17.917 -0.208 9.188 1.00 0.00 H new ATOM 0 HA PHE A 53 17.102 -0.891 6.500 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.414 -0.825 6.722 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.392 -1.465 8.353 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.544 -2.533 4.863 1.00 0.00 H new ATOM 0 HD2 PHE A 53 20.067 -3.660 8.679 1.00 0.00 H new ATOM 0 HE1 PHE A 53 19.064 -4.771 3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 53 20.591 -5.897 7.811 1.00 0.00 H new ATOM 0 HZ PHE A 53 20.095 -6.456 5.464 1.00 0.00 H new ATOM 813 N PHE A 54 16.484 -2.869 9.022 1.00 0.00 N ATOM 814 CA PHE A 54 15.775 -4.076 9.432 1.00 0.00 C ATOM 815 C PHE A 54 14.265 -3.880 9.332 1.00 0.00 C ATOM 816 O PHE A 54 13.500 -4.844 9.353 1.00 0.00 O ATOM 817 CB PHE A 54 16.158 -4.456 10.864 1.00 0.00 C ATOM 818 CG PHE A 54 17.339 -5.380 10.943 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.626 -4.874 11.029 1.00 0.00 C ATOM 820 CD2 PHE A 54 17.163 -6.754 10.932 1.00 0.00 C ATOM 821 CE1 PHE A 54 19.716 -5.721 11.103 1.00 0.00 C ATOM 822 CE2 PHE A 54 18.249 -7.606 11.005 1.00 0.00 C ATOM 823 CZ PHE A 54 19.527 -7.089 11.090 1.00 0.00 C ATOM 0 H PHE A 54 16.797 -2.281 9.794 1.00 0.00 H new ATOM 0 HA PHE A 54 16.064 -4.884 8.760 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.379 -3.548 11.426 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.303 -4.930 11.347 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.779 -3.805 11.038 1.00 0.00 H new ATOM 0 HD2 PHE A 54 16.166 -7.164 10.866 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.714 -5.314 11.171 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.098 -8.675 10.996 1.00 0.00 H new ATOM 0 HZ PHE A 54 20.377 -7.753 11.146 1.00 0.00 H new ATOM 833 N ASP A 55 13.844 -2.625 9.224 1.00 0.00 N ATOM 834 CA ASP A 55 12.426 -2.301 9.120 1.00 0.00 C ATOM 835 C ASP A 55 12.020 -2.098 7.663 1.00 0.00 C ATOM 836 O ASP A 55 11.946 -0.967 7.181 1.00 0.00 O ATOM 837 CB ASP A 55 12.107 -1.044 9.931 1.00 0.00 C ATOM 838 CG ASP A 55 12.121 -1.300 11.425 1.00 0.00 C ATOM 839 OD1 ASP A 55 13.226 -1.414 11.997 1.00 0.00 O ATOM 840 OD2 ASP A 55 11.028 -1.386 12.023 1.00 0.00 O ATOM 0 H ASP A 55 14.464 -1.815 9.206 1.00 0.00 H new ATOM 0 HA ASP A 55 11.857 -3.138 9.524 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.833 -0.267 9.692 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.127 -0.666 9.639 1.00 0.00 H new ATOM 845 N PHE A 56 11.759 -3.199 6.968 1.00 0.00 N ATOM 846 CA PHE A 56 11.362 -3.143 5.566 1.00 0.00 C ATOM 847 C PHE A 56 9.990 -2.493 5.414 1.00 0.00 C ATOM 848 O PHE A 56 9.837 -1.501 4.702 1.00 0.00 O ATOM 849 CB PHE A 56 11.343 -4.548 4.962 1.00 0.00 C ATOM 850 CG PHE A 56 12.248 -5.517 5.668 1.00 0.00 C ATOM 851 CD1 PHE A 56 11.800 -6.229 6.769 1.00 0.00 C ATOM 852 CD2 PHE A 56 13.548 -5.715 5.231 1.00 0.00 C ATOM 853 CE1 PHE A 56 12.630 -7.121 7.421 1.00 0.00 C ATOM 854 CE2 PHE A 56 14.383 -6.606 5.879 1.00 0.00 C ATOM 855 CZ PHE A 56 13.924 -7.309 6.975 1.00 0.00 C ATOM 0 H PHE A 56 11.815 -4.142 7.353 1.00 0.00 H new ATOM 0 HA PHE A 56 12.093 -2.536 5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.323 -4.932 4.987 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.635 -4.488 3.914 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.790 -6.085 7.122 1.00 0.00 H new ATOM 0 HD2 PHE A 56 13.913 -5.167 4.375 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.268 -7.670 8.278 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.394 -6.752 5.528 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.575 -8.005 7.483 1.00 0.00 H new ATOM 865 N GLU A 57 8.995 -3.060 6.089 1.00 0.00 N ATOM 866 CA GLU A 57 7.636 -2.537 6.029 1.00 0.00 C ATOM 867 C GLU A 57 7.642 -1.012 5.971 1.00 0.00 C ATOM 868 O GLU A 57 6.929 -0.408 5.170 1.00 0.00 O ATOM 869 CB GLU A 57 6.829 -3.009 7.240 1.00 0.00 C ATOM 870 CG GLU A 57 7.014 -4.484 7.557 1.00 0.00 C ATOM 871 CD GLU A 57 6.043 -4.980 8.610 1.00 0.00 C ATOM 872 OE1 GLU A 57 4.853 -5.167 8.278 1.00 0.00 O ATOM 873 OE2 GLU A 57 6.471 -5.182 9.766 1.00 0.00 O ATOM 0 H GLU A 57 9.105 -3.881 6.684 1.00 0.00 H new ATOM 0 HA GLU A 57 7.168 -2.916 5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.118 -2.420 8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.772 -2.814 7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.884 -5.067 6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.035 -4.653 7.901 1.00 0.00 H new ATOM 880 N GLY A 58 8.451 -0.396 6.827 1.00 0.00 N ATOM 881 CA GLY A 58 8.535 1.052 6.858 1.00 0.00 C ATOM 882 C GLY A 58 9.521 1.598 5.844 1.00 0.00 C ATOM 883 O GLY A 58 9.426 2.756 5.436 1.00 0.00 O ATOM 0 H GLY A 58 9.050 -0.874 7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.549 1.474 6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.830 1.374 7.857 1.00 0.00 H new ATOM 887 N LYS A 59 10.470 0.763 5.436 1.00 0.00 N ATOM 888 CA LYS A 59 11.479 1.168 4.464 1.00 0.00 C ATOM 889 C LYS A 59 10.847 1.426 3.100 1.00 0.00 C ATOM 890 O LYS A 59 10.923 2.535 2.571 1.00 0.00 O ATOM 891 CB LYS A 59 12.559 0.091 4.341 1.00 0.00 C ATOM 892 CG LYS A 59 13.793 0.551 3.584 1.00 0.00 C ATOM 893 CD LYS A 59 14.995 -0.328 3.890 1.00 0.00 C ATOM 894 CE LYS A 59 14.859 -1.700 3.250 1.00 0.00 C ATOM 895 NZ LYS A 59 16.174 -2.390 3.131 1.00 0.00 N ATOM 0 H LYS A 59 10.562 -0.199 5.763 1.00 0.00 H new ATOM 0 HA LYS A 59 11.935 2.094 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.855 -0.231 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.137 -0.779 3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.591 0.533 2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.019 1.584 3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.902 0.155 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.102 -0.438 4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.180 -2.312 3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.412 -1.597 2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.038 -3.322 2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.814 -1.819 2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.589 -2.512 4.077 1.00 0.00 H new ATOM 909 N GLN A 60 10.222 0.396 2.537 1.00 0.00 N ATOM 910 CA GLN A 60 9.576 0.514 1.235 1.00 0.00 C ATOM 911 C GLN A 60 8.666 1.736 1.187 1.00 0.00 C ATOM 912 O GLN A 60 8.783 2.576 0.294 1.00 0.00 O ATOM 913 CB GLN A 60 8.770 -0.749 0.927 1.00 0.00 C ATOM 914 CG GLN A 60 7.824 -1.155 2.045 1.00 0.00 C ATOM 915 CD GLN A 60 7.305 -2.571 1.886 1.00 0.00 C ATOM 916 OE1 GLN A 60 7.522 -3.424 2.747 1.00 0.00 O ATOM 917 NE2 GLN A 60 6.616 -2.828 0.780 1.00 0.00 N ATOM 0 H GLN A 60 10.150 -0.528 2.962 1.00 0.00 H new ATOM 0 HA GLN A 60 10.354 0.634 0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.194 -0.589 0.015 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.459 -1.570 0.729 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.339 -1.066 3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.981 -0.464 2.071 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.460 -2.090 0.093 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.243 -3.763 0.618 1.00 0.00 H new ATOM 926 N LYS A 61 7.759 1.831 2.153 1.00 0.00 N ATOM 927 CA LYS A 61 6.829 2.951 2.223 1.00 0.00 C ATOM 928 C LYS A 61 7.572 4.281 2.157 1.00 0.00 C ATOM 929 O LYS A 61 7.301 5.112 1.290 1.00 0.00 O ATOM 930 CB LYS A 61 6.006 2.879 3.512 1.00 0.00 C ATOM 931 CG LYS A 61 5.248 1.573 3.677 1.00 0.00 C ATOM 932 CD LYS A 61 4.582 1.483 5.040 1.00 0.00 C ATOM 933 CE LYS A 61 3.172 2.053 5.010 1.00 0.00 C ATOM 934 NZ LYS A 61 2.292 1.408 6.024 1.00 0.00 N ATOM 0 H LYS A 61 7.648 1.145 2.899 1.00 0.00 H new ATOM 0 HA LYS A 61 6.158 2.886 1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.670 3.014 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.296 3.706 3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.493 1.488 2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.933 0.735 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.548 0.442 5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.179 2.024 5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.210 3.127 5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.745 1.914 4.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.340 1.824 5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.235 0.387 5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.686 1.563 6.974 1.00 0.00 H new ATOM 948 N TRP A 62 8.512 4.475 3.076 1.00 0.00 N ATOM 949 CA TRP A 62 9.296 5.704 3.120 1.00 0.00 C ATOM 950 C TRP A 62 9.936 5.990 1.766 1.00 0.00 C ATOM 951 O TRP A 62 9.938 7.128 1.299 1.00 0.00 O ATOM 952 CB TRP A 62 10.376 5.606 4.198 1.00 0.00 C ATOM 953 CG TRP A 62 11.159 6.872 4.371 1.00 0.00 C ATOM 954 CD1 TRP A 62 10.843 7.927 5.178 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.388 7.215 3.721 1.00 0.00 C ATOM 956 NE1 TRP A 62 11.802 8.906 5.068 1.00 0.00 N ATOM 957 CE2 TRP A 62 12.760 8.493 4.181 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.211 6.566 2.797 1.00 0.00 C ATOM 959 CZ2 TRP A 62 13.918 9.132 3.747 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.360 7.202 2.366 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.705 8.474 2.841 1.00 0.00 C ATOM 0 H TRP A 62 8.749 3.797 3.800 1.00 0.00 H new ATOM 0 HA TRP A 62 8.623 6.526 3.364 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.909 5.344 5.147 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.060 4.796 3.944 1.00 0.00 H new ATOM 0 HD1 TRP A 62 9.969 7.984 5.810 1.00 0.00 H new ATOM 0 HE1 TRP A 62 11.800 9.796 5.566 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.954 5.585 2.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.186 10.112 4.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 15.003 6.710 1.651 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.610 8.945 2.485 1.00 0.00 H new ATOM 972 N GLU A 63 10.478 4.950 1.141 1.00 0.00 N ATOM 973 CA GLU A 63 11.122 5.091 -0.160 1.00 0.00 C ATOM 974 C GLU A 63 10.144 5.642 -1.194 1.00 0.00 C ATOM 975 O GLU A 63 10.262 6.788 -1.628 1.00 0.00 O ATOM 976 CB GLU A 63 11.674 3.744 -0.631 1.00 0.00 C ATOM 977 CG GLU A 63 12.922 3.303 0.116 1.00 0.00 C ATOM 978 CD GLU A 63 13.711 2.251 -0.637 1.00 0.00 C ATOM 979 OE1 GLU A 63 13.217 1.110 -0.754 1.00 0.00 O ATOM 980 OE2 GLU A 63 14.823 2.567 -1.110 1.00 0.00 O ATOM 0 H GLU A 63 10.484 4.001 1.514 1.00 0.00 H new ATOM 0 HA GLU A 63 11.947 5.795 -0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.902 2.983 -0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.901 3.806 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.558 4.169 0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.637 2.909 1.091 1.00 0.00 H new ATOM 987 N ALA A 64 9.179 4.817 -1.585 1.00 0.00 N ATOM 988 CA ALA A 64 8.179 5.220 -2.566 1.00 0.00 C ATOM 989 C ALA A 64 7.841 6.701 -2.428 1.00 0.00 C ATOM 990 O ALA A 64 7.935 7.460 -3.392 1.00 0.00 O ATOM 991 CB ALA A 64 6.923 4.374 -2.419 1.00 0.00 C ATOM 0 H ALA A 64 9.068 3.865 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 64 8.596 5.060 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.185 4.686 -3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.171 3.324 -2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.512 4.504 -1.418 1.00 0.00 H new ATOM 997 N TRP A 65 7.447 7.103 -1.226 1.00 0.00 N ATOM 998 CA TRP A 65 7.094 8.493 -0.963 1.00 0.00 C ATOM 999 C TRP A 65 8.325 9.389 -1.029 1.00 0.00 C ATOM 1000 O TRP A 65 8.248 10.536 -1.470 1.00 0.00 O ATOM 1001 CB TRP A 65 6.427 8.621 0.408 1.00 0.00 C ATOM 1002 CG TRP A 65 6.216 10.042 0.836 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.872 11.096 0.038 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.338 10.564 2.163 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.773 12.242 0.790 1.00 0.00 N ATOM 1006 CE2 TRP A 65 6.053 11.942 2.096 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.658 10.002 3.402 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 6.080 12.763 3.221 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.684 10.818 4.517 1.00 0.00 C ATOM 1010 CH2 TRP A 65 6.396 12.186 4.421 1.00 0.00 C ATOM 0 H TRP A 65 7.364 6.486 -0.418 1.00 0.00 H new ATOM 0 HA TRP A 65 6.392 8.815 -1.732 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.465 8.109 0.385 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.041 8.113 1.152 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.703 11.037 -1.027 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.530 13.166 0.433 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.881 8.949 3.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.859 13.818 3.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.931 10.394 5.479 1.00 0.00 H new ATOM 0 HH2 TRP A 65 6.424 12.797 5.311 1.00 0.00 H new ATOM 1021 N LYS A 66 9.461 8.860 -0.587 1.00 0.00 N ATOM 1022 CA LYS A 66 10.711 9.611 -0.597 1.00 0.00 C ATOM 1023 C LYS A 66 11.057 10.073 -2.010 1.00 0.00 C ATOM 1024 O LYS A 66 11.454 11.218 -2.218 1.00 0.00 O ATOM 1025 CB LYS A 66 11.849 8.756 -0.035 1.00 0.00 C ATOM 1026 CG LYS A 66 13.207 9.432 -0.101 1.00 0.00 C ATOM 1027 CD LYS A 66 13.256 10.671 0.778 1.00 0.00 C ATOM 1028 CE LYS A 66 14.436 11.561 0.421 1.00 0.00 C ATOM 1029 NZ LYS A 66 14.183 12.986 0.771 1.00 0.00 N ATOM 0 H LYS A 66 9.542 7.913 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 66 10.582 10.491 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.627 8.507 1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.893 7.817 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.979 8.730 0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.428 9.707 -1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.329 11.233 0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.327 10.374 1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.326 11.211 0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.642 11.480 -0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.011 13.559 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.349 13.328 0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.012 13.067 1.794 1.00 0.00 H new ATOM 1043 N ALA A 67 10.902 9.173 -2.976 1.00 0.00 N ATOM 1044 CA ALA A 67 11.195 9.489 -4.368 1.00 0.00 C ATOM 1045 C ALA A 67 10.365 10.675 -4.848 1.00 0.00 C ATOM 1046 O ALA A 67 10.724 11.346 -5.817 1.00 0.00 O ATOM 1047 CB ALA A 67 10.943 8.275 -5.249 1.00 0.00 C ATOM 0 H ALA A 67 10.575 8.220 -2.820 1.00 0.00 H new ATOM 0 HA ALA A 67 12.248 9.763 -4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.166 8.526 -6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.584 7.453 -4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.899 7.975 -5.165 1.00 0.00 H new ATOM 1053 N LEU A 68 9.254 10.929 -4.165 1.00 0.00 N ATOM 1054 CA LEU A 68 8.372 12.034 -4.522 1.00 0.00 C ATOM 1055 C LEU A 68 8.747 13.299 -3.757 1.00 0.00 C ATOM 1056 O LEU A 68 7.895 13.944 -3.147 1.00 0.00 O ATOM 1057 CB LEU A 68 6.916 11.664 -4.236 1.00 0.00 C ATOM 1058 CG LEU A 68 6.469 10.281 -4.712 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.004 10.049 -4.377 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.705 10.131 -6.208 1.00 0.00 C ATOM 0 H LEU A 68 8.943 10.384 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 68 8.488 12.229 -5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.751 11.727 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.274 12.412 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 68 7.063 9.529 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.704 9.060 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.863 10.114 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.394 10.806 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.381 9.141 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.136 10.891 -6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.767 10.253 -6.423 1.00 0.00 H new ATOM 1072 N GLY A 69 10.029 13.650 -3.795 1.00 0.00 N ATOM 1073 CA GLY A 69 10.494 14.838 -3.103 1.00 0.00 C ATOM 1074 C GLY A 69 10.073 16.117 -3.799 1.00 0.00 C ATOM 1075 O GLY A 69 9.727 17.102 -3.147 1.00 0.00 O ATOM 0 H GLY A 69 10.754 13.133 -4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.105 14.837 -2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.581 14.809 -3.029 1.00 0.00 H new ATOM 1079 N ASP A 70 10.105 16.103 -5.127 1.00 0.00 N ATOM 1080 CA ASP A 70 9.724 17.271 -5.913 1.00 0.00 C ATOM 1081 C ASP A 70 8.437 17.009 -6.688 1.00 0.00 C ATOM 1082 O ASP A 70 8.236 17.546 -7.778 1.00 0.00 O ATOM 1083 CB ASP A 70 10.848 17.650 -6.879 1.00 0.00 C ATOM 1084 CG ASP A 70 11.893 18.538 -6.232 1.00 0.00 C ATOM 1085 OD1 ASP A 70 11.520 19.607 -5.706 1.00 0.00 O ATOM 1086 OD2 ASP A 70 13.084 18.163 -6.252 1.00 0.00 O ATOM 0 H ASP A 70 10.391 15.296 -5.682 1.00 0.00 H new ATOM 0 HA ASP A 70 9.550 18.100 -5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.325 16.743 -7.250 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.424 18.163 -7.742 1.00 0.00 H new ATOM 1091 N SER A 71 7.568 16.179 -6.120 1.00 0.00 N ATOM 1092 CA SER A 71 6.302 15.841 -6.760 1.00 0.00 C ATOM 1093 C SER A 71 5.228 16.868 -6.414 1.00 0.00 C ATOM 1094 O SER A 71 5.484 17.831 -5.691 1.00 0.00 O ATOM 1095 CB SER A 71 5.846 14.445 -6.330 1.00 0.00 C ATOM 1096 OG SER A 71 6.519 13.440 -7.068 1.00 0.00 O ATOM 0 H SER A 71 7.718 15.728 -5.217 1.00 0.00 H new ATOM 0 HA SER A 71 6.455 15.849 -7.839 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.037 14.308 -5.266 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.770 14.349 -6.476 1.00 0.00 H new ATOM 0 HG SER A 71 5.864 12.900 -7.558 1.00 0.00 H new ATOM 1102 N SER A 72 4.025 16.655 -6.937 1.00 0.00 N ATOM 1103 CA SER A 72 2.911 17.563 -6.688 1.00 0.00 C ATOM 1104 C SER A 72 1.709 16.809 -6.129 1.00 0.00 C ATOM 1105 O SER A 72 1.552 15.604 -6.330 1.00 0.00 O ATOM 1106 CB SER A 72 2.519 18.287 -7.978 1.00 0.00 C ATOM 1107 OG SER A 72 3.373 19.391 -8.224 1.00 0.00 O ATOM 0 H SER A 72 3.796 15.862 -7.536 1.00 0.00 H new ATOM 0 HA SER A 72 3.231 18.298 -5.949 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.566 17.593 -8.817 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.487 18.631 -7.907 1.00 0.00 H new ATOM 0 HG SER A 72 3.102 19.835 -9.055 1.00 0.00 H new ATOM 1113 N PRO A 73 0.840 17.533 -5.409 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.364 16.954 -4.806 1.00 0.00 C ATOM 1115 C PRO A 73 -1.404 16.562 -5.849 1.00 0.00 C ATOM 1116 O PRO A 73 -1.920 15.444 -5.836 1.00 0.00 O ATOM 1117 CB PRO A 73 -0.895 18.084 -3.919 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.373 19.332 -4.543 1.00 0.00 C ATOM 1119 CD PRO A 73 0.965 18.973 -5.129 1.00 0.00 C ATOM 0 HA PRO A 73 -0.146 16.034 -4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.985 18.083 -3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.546 17.979 -2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.052 19.696 -5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.275 20.127 -3.803 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.172 19.542 -6.035 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.777 19.178 -4.431 1.00 0.00 H new ATOM 1127 N SER A 74 -1.708 17.488 -6.752 1.00 0.00 N ATOM 1128 CA SER A 74 -2.690 17.240 -7.801 1.00 0.00 C ATOM 1129 C SER A 74 -2.194 16.167 -8.767 1.00 0.00 C ATOM 1130 O SER A 74 -2.980 15.377 -9.288 1.00 0.00 O ATOM 1131 CB SER A 74 -2.989 18.531 -8.566 1.00 0.00 C ATOM 1132 OG SER A 74 -2.882 19.662 -7.718 1.00 0.00 O ATOM 0 H SER A 74 -1.288 18.417 -6.779 1.00 0.00 H new ATOM 0 HA SER A 74 -3.606 16.885 -7.329 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.296 18.632 -9.401 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.993 18.483 -8.989 1.00 0.00 H new ATOM 0 HG SER A 74 -3.076 20.475 -8.230 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.886 16.148 -8.998 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.285 15.174 -9.901 1.00 0.00 C ATOM 1140 C GLN A 75 -0.181 13.806 -9.235 1.00 0.00 C ATOM 1141 O GLN A 75 0.013 12.791 -9.905 1.00 0.00 O ATOM 1142 CB GLN A 75 1.102 15.644 -10.344 1.00 0.00 C ATOM 1143 CG GLN A 75 1.080 16.941 -11.137 1.00 0.00 C ATOM 1144 CD GLN A 75 2.447 17.323 -11.669 1.00 0.00 C ATOM 1145 OE1 GLN A 75 3.118 16.523 -12.321 1.00 0.00 O ATOM 1146 NE2 GLN A 75 2.867 18.552 -11.394 1.00 0.00 N ATOM 0 H GLN A 75 -0.222 16.795 -8.573 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.928 15.085 -10.777 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.730 15.777 -9.463 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.564 14.865 -10.950 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.385 16.841 -11.971 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.704 17.744 -10.503 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.278 19.182 -10.850 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.779 18.866 -11.727 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.312 13.785 -7.913 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.235 12.542 -7.156 1.00 0.00 C ATOM 1157 C ALA A 76 -1.610 11.895 -7.022 1.00 0.00 C ATOM 1158 O ALA A 76 -1.719 10.688 -6.806 1.00 0.00 O ATOM 1159 CB ALA A 76 0.366 12.796 -5.782 1.00 0.00 C ATOM 0 H ALA A 76 -0.472 14.616 -7.343 1.00 0.00 H new ATOM 0 HA ALA A 76 0.411 11.854 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.417 11.859 -5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.370 13.206 -5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.257 13.505 -5.238 1.00 0.00 H new ATOM 1165 N MET A 77 -2.655 12.705 -7.153 1.00 0.00 N ATOM 1166 CA MET A 77 -4.023 12.210 -7.047 1.00 0.00 C ATOM 1167 C MET A 77 -4.452 11.517 -8.336 1.00 0.00 C ATOM 1168 O MET A 77 -5.084 10.462 -8.303 1.00 0.00 O ATOM 1169 CB MET A 77 -4.981 13.359 -6.729 1.00 0.00 C ATOM 1170 CG MET A 77 -4.822 13.912 -5.322 1.00 0.00 C ATOM 1171 SD MET A 77 -6.142 15.054 -4.871 1.00 0.00 S ATOM 1172 CE MET A 77 -5.198 16.393 -4.146 1.00 0.00 C ATOM 0 H MET A 77 -2.581 13.706 -7.333 1.00 0.00 H new ATOM 0 HA MET A 77 -4.057 11.483 -6.236 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.821 14.164 -7.447 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.006 13.013 -6.861 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.803 13.086 -4.611 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.862 14.423 -5.243 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.877 17.180 -3.817 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.634 16.019 -3.291 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.508 16.795 -4.888 1.00 0.00 H new ATOM 1182 N GLN A 78 -4.103 12.117 -9.470 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.454 11.557 -10.769 1.00 0.00 C ATOM 1184 C GLN A 78 -4.077 10.081 -10.846 1.00 0.00 C ATOM 1185 O GLN A 78 -4.913 9.233 -11.152 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.756 12.332 -11.888 1.00 0.00 C ATOM 1187 CG GLN A 78 -4.240 13.766 -12.028 1.00 0.00 C ATOM 1188 CD GLN A 78 -4.080 14.301 -13.437 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.995 14.244 -14.016 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -5.163 14.826 -13.998 1.00 0.00 N ATOM 0 H GLN A 78 -3.578 12.990 -9.515 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.533 11.645 -10.894 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.682 12.336 -11.701 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.913 11.811 -12.832 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.290 13.821 -11.740 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.686 14.401 -11.337 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.042 14.853 -13.482 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.115 15.202 -14.945 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.812 9.783 -10.565 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.325 8.410 -10.604 1.00 0.00 C ATOM 1201 C GLU A 79 -2.959 7.576 -9.494 1.00 0.00 C ATOM 1202 O GLU A 79 -3.364 6.434 -9.715 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.801 8.382 -10.469 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.074 8.994 -11.654 1.00 0.00 C ATOM 1205 CD GLU A 79 -0.323 8.239 -12.945 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -0.203 6.996 -12.939 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -0.638 8.891 -13.963 1.00 0.00 O ATOM 0 H GLU A 79 -2.107 10.474 -10.308 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.606 7.979 -11.565 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.515 8.916 -9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.474 7.349 -10.347 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.393 10.029 -11.776 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.996 9.012 -11.449 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.042 8.154 -8.302 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.625 7.465 -7.156 1.00 0.00 C ATOM 1216 C TYR A 80 -5.037 6.981 -7.472 1.00 0.00 C ATOM 1217 O TYR A 80 -5.464 5.928 -6.998 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.651 8.388 -5.937 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.397 7.811 -4.756 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.785 7.738 -4.754 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.715 7.339 -3.641 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.471 7.212 -3.677 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.393 6.810 -2.560 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.771 6.749 -2.583 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.450 6.224 -1.507 1.00 0.00 O ATOM 0 H TYR A 80 -2.713 9.099 -8.103 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.004 6.597 -6.932 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.627 8.608 -5.637 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.111 9.335 -6.219 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.337 8.099 -5.610 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.636 7.387 -3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.550 7.164 -3.692 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.847 6.446 -1.702 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.128 6.642 -0.681 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.755 7.757 -8.277 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.118 7.408 -8.658 1.00 0.00 C ATOM 1237 C ILE A 81 -7.127 6.424 -9.823 1.00 0.00 C ATOM 1238 O ILE A 81 -7.608 5.298 -9.694 1.00 0.00 O ATOM 1239 CB ILE A 81 -7.931 8.656 -9.048 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.396 9.401 -7.795 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.121 8.264 -9.911 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.548 10.892 -8.000 1.00 0.00 C ATOM 0 H ILE A 81 -5.416 8.631 -8.678 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.580 6.942 -7.788 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.291 9.322 -9.627 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.351 8.988 -7.470 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.682 9.224 -6.991 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.686 9.157 -10.179 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.767 7.773 -10.818 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.764 7.581 -9.356 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.880 11.355 -7.071 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.589 11.318 -8.295 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.284 11.079 -8.782 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.592 6.856 -10.960 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.535 6.012 -12.147 1.00 0.00 C ATOM 1256 C ALA A 82 -6.364 4.544 -11.769 1.00 0.00 C ATOM 1257 O ALA A 82 -7.146 3.690 -12.187 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.403 6.460 -13.059 1.00 0.00 C ATOM 0 H ALA A 82 -6.192 7.786 -11.084 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.479 6.115 -12.682 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.372 5.821 -13.941 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.569 7.493 -13.365 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.455 6.388 -12.525 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.335 4.258 -10.977 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.062 2.893 -10.543 1.00 0.00 C ATOM 1266 C VAL A 83 -6.332 2.207 -10.052 1.00 0.00 C ATOM 1267 O VAL A 83 -6.713 1.150 -10.554 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.008 2.862 -9.420 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.382 3.832 -8.310 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -3.851 1.450 -8.876 1.00 0.00 C ATOM 0 H VAL A 83 -4.677 4.953 -10.623 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.675 2.357 -11.410 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.050 3.175 -9.835 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.626 3.796 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.438 4.843 -8.714 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.350 3.553 -7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.103 1.447 -8.084 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.805 1.106 -8.476 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.533 0.784 -9.678 1.00 0.00 H new ATOM 1280 N VAL A 84 -6.984 2.817 -9.067 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.213 2.266 -8.508 1.00 0.00 C ATOM 1282 C VAL A 84 -9.206 1.910 -9.609 1.00 0.00 C ATOM 1283 O VAL A 84 -10.047 1.027 -9.440 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.878 3.255 -7.533 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.825 4.048 -6.775 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.823 4.185 -8.279 1.00 0.00 C ATOM 0 H VAL A 84 -6.682 3.693 -8.640 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.937 1.362 -7.965 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.461 2.687 -6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.314 4.741 -6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.193 3.364 -6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.212 4.607 -7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.284 4.877 -7.574 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.265 4.747 -9.027 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.598 3.598 -8.771 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.101 2.602 -10.739 1.00 0.00 N ATOM 1297 CA LYS A 85 -9.988 2.358 -11.870 1.00 0.00 C ATOM 1298 C LYS A 85 -9.538 1.134 -12.661 1.00 0.00 C ATOM 1299 O LYS A 85 -10.359 0.402 -13.214 1.00 0.00 O ATOM 1300 CB LYS A 85 -10.028 3.583 -12.786 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.353 4.876 -12.059 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.464 6.046 -13.022 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.349 7.149 -12.461 1.00 0.00 C ATOM 1304 NZ LYS A 85 -12.789 6.770 -12.486 1.00 0.00 N ATOM 0 H LYS A 85 -8.410 3.336 -10.895 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.988 2.169 -11.481 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.063 3.687 -13.281 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.771 3.418 -13.567 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.290 4.762 -11.514 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.578 5.084 -11.321 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.471 6.445 -13.228 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.871 5.699 -13.972 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.049 7.370 -11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.203 8.061 -13.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.373 7.629 -12.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.978 6.180 -13.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.022 6.235 -11.625 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.228 0.915 -12.709 1.00 0.00 N ATOM 1319 CA LYS A 86 -7.668 -0.222 -13.429 1.00 0.00 C ATOM 1320 C LYS A 86 -8.061 -1.536 -12.761 1.00 0.00 C ATOM 1321 O LYS A 86 -8.126 -2.580 -13.412 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.143 -0.108 -13.497 1.00 0.00 C ATOM 1323 CG LYS A 86 -5.650 0.803 -14.608 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.688 2.263 -14.190 1.00 0.00 C ATOM 1325 CE LYS A 86 -6.949 2.953 -14.689 1.00 0.00 C ATOM 1326 NZ LYS A 86 -7.039 2.935 -16.175 1.00 0.00 N ATOM 0 H LYS A 86 -7.534 1.511 -12.257 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.072 -0.214 -14.441 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.772 0.264 -12.542 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.719 -1.102 -13.638 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.631 0.528 -14.880 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.266 0.662 -15.496 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.639 2.333 -13.103 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.811 2.778 -14.582 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.824 2.460 -14.266 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.962 3.984 -14.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.526 3.793 -16.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.082 2.904 -16.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.572 2.096 -16.480 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.323 -1.478 -11.460 1.00 0.00 N ATOM 1341 CA LEU A 87 -8.712 -2.664 -10.704 1.00 0.00 C ATOM 1342 C LEU A 87 -10.223 -2.866 -10.747 1.00 0.00 C ATOM 1343 O LEU A 87 -10.704 -3.980 -10.955 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.243 -2.544 -9.253 1.00 0.00 C ATOM 1345 CG LEU A 87 -6.949 -1.761 -9.029 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -6.951 -1.109 -7.654 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -5.740 -2.671 -9.187 1.00 0.00 C ATOM 0 H LEU A 87 -8.273 -0.623 -10.906 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.235 -3.530 -11.163 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.036 -2.070 -8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.111 -3.548 -8.851 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.888 -0.975 -9.782 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.022 -0.556 -7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.796 -0.425 -7.577 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.036 -1.878 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.828 -2.096 -9.024 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.795 -3.479 -8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.729 -3.091 -10.193 1.00 0.00 H new ATOM 1359 N ASP A 88 -10.965 -1.782 -10.553 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.422 -1.839 -10.572 1.00 0.00 C ATOM 1361 C ASP A 88 -12.994 -0.793 -11.523 1.00 0.00 C ATOM 1362 O ASP A 88 -13.297 0.336 -11.135 1.00 0.00 O ATOM 1363 CB ASP A 88 -12.981 -1.627 -9.165 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.457 -1.961 -9.072 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.242 -1.410 -9.871 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -14.828 -2.774 -8.198 1.00 0.00 O ATOM 0 H ASP A 88 -10.582 -0.853 -10.381 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.717 -2.827 -10.926 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.426 -2.246 -8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.827 -0.590 -8.868 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.146 -1.173 -12.801 1.00 0.00 N ATOM 1372 CA PRO A 89 -13.682 -0.282 -13.834 1.00 0.00 C ATOM 1373 C PRO A 89 -15.168 0.003 -13.640 1.00 0.00 C ATOM 1374 O PRO A 89 -15.757 0.802 -14.367 1.00 0.00 O ATOM 1375 CB PRO A 89 -13.453 -1.064 -15.130 1.00 0.00 C ATOM 1376 CG PRO A 89 -13.415 -2.492 -14.709 1.00 0.00 C ATOM 1377 CD PRO A 89 -12.807 -2.503 -13.334 1.00 0.00 C ATOM 0 HA PRO A 89 -13.201 0.696 -13.819 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.253 -0.884 -15.848 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.521 -0.768 -15.611 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -14.417 -2.922 -14.696 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -12.822 -3.088 -15.403 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.222 -3.301 -12.718 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.729 -2.658 -13.373 1.00 0.00 H new ATOM 1385 N GLY A 90 -15.768 -0.656 -12.653 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.180 -0.458 -12.381 1.00 0.00 C ATOM 1387 C GLY A 90 -17.421 0.489 -11.222 1.00 0.00 C ATOM 1388 O GLY A 90 -18.380 0.326 -10.468 1.00 0.00 O ATOM 0 H GLY A 90 -15.302 -1.323 -12.038 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -17.667 -0.066 -13.274 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -17.643 -1.420 -12.162 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.547 1.479 -11.079 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.669 2.455 -10.002 1.00 0.00 C ATOM 1394 C TRP A 91 -17.200 3.784 -10.529 1.00 0.00 C ATOM 1395 O TRP A 91 -16.521 4.478 -11.285 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.315 2.666 -9.322 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.249 3.923 -8.508 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -16.173 4.363 -7.604 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -14.204 4.901 -8.525 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.765 5.557 -7.058 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.560 5.908 -7.606 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -13.001 5.024 -9.226 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.756 7.020 -7.373 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.205 6.129 -8.994 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.584 7.115 -8.073 1.00 0.00 C ATOM 0 H TRP A 91 -15.747 1.627 -11.694 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.378 2.066 -9.271 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -15.103 1.813 -8.678 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.535 2.693 -10.083 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -17.089 3.849 -7.355 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -16.277 6.094 -6.358 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.699 4.269 -9.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -14.047 7.781 -6.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.274 6.235 -9.532 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.939 7.966 -7.913 1.00 0.00 H new