USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 14 LYS NZ :NH3+ 168:sc= -0.0397 (180deg=0) USER MOD Set 1.2: A 63 ASN : amide:sc= -1.04 X(o=-1.1,f=-0.66) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -84:sc= 1.08 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -110:sc= -0.873 USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= -0.0552 (180deg=-0.363) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.22 X(o=-1.2,f=-0.83) USER MOD Single : A 32 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-2.6!) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0509 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.03 K(o=-1,f=-2.3) USER MOD Single : A 43 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.2) USER MOD Single : A 46 SER OG : rot 180:sc= -0.168 USER MOD Single : A 49 ASN : amide:sc= -0.291 K(o=-0.29,f=-0.89) USER MOD Single : A 50 GLN : amide:sc= -1.61 K(o=-1.6,f=-5.5!) USER MOD Single : A 51 HIS : no HD1:sc= -3.56! C(o=-3.6!,f=-4.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.52 K(o=-2.5,f=-1.5) USER MOD Single : A 59 SER OG : rot 40:sc= 1.12 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -147:sc= -0.205 (180deg=-1.35) USER MOD Single : A 67 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 11:sc= 0.724! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N SER A 4 0.385 -10.372 0.615 1.00 0.00 N ATOM 48 CA SER A 4 -0.601 -11.428 0.813 1.00 0.00 C ATOM 49 C SER A 4 -1.995 -10.951 0.415 1.00 0.00 C ATOM 50 O SER A 4 -2.406 -9.844 0.760 1.00 0.00 O ATOM 51 CB SER A 4 -0.604 -11.885 2.273 1.00 0.00 C ATOM 52 OG SER A 4 0.554 -12.646 2.572 1.00 0.00 O ATOM 0 HA SER A 4 -0.328 -12.270 0.177 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.651 -11.016 2.929 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.495 -12.481 2.469 1.00 0.00 H new ATOM 0 HG SER A 4 0.529 -12.925 3.511 1.00 0.00 H new ATOM 58 N ALA A 5 -2.717 -11.797 -0.313 1.00 0.00 N ATOM 59 CA ALA A 5 -4.064 -11.464 -0.758 1.00 0.00 C ATOM 60 C ALA A 5 -4.948 -11.068 0.420 1.00 0.00 C ATOM 61 O ALA A 5 -5.892 -10.293 0.266 1.00 0.00 O ATOM 62 CB ALA A 5 -4.677 -12.637 -1.509 1.00 0.00 C ATOM 0 H ALA A 5 -2.391 -12.718 -0.607 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.997 -10.610 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.683 -12.374 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.063 -12.873 -2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.724 -13.505 -0.852 1.00 0.00 H new ATOM 68 N GLU A 6 -4.637 -11.605 1.595 1.00 0.00 N ATOM 69 CA GLU A 6 -5.405 -11.308 2.798 1.00 0.00 C ATOM 70 C GLU A 6 -5.347 -9.819 3.127 1.00 0.00 C ATOM 71 O GLU A 6 -6.192 -9.301 3.856 1.00 0.00 O ATOM 72 CB GLU A 6 -4.878 -12.124 3.981 1.00 0.00 C ATOM 73 CG GLU A 6 -3.538 -11.638 4.507 1.00 0.00 C ATOM 74 CD GLU A 6 -2.870 -12.646 5.421 1.00 0.00 C ATOM 75 OE1 GLU A 6 -3.501 -13.679 5.729 1.00 0.00 O ATOM 76 OE2 GLU A 6 -1.715 -12.402 5.829 1.00 0.00 O ATOM 0 H GLU A 6 -3.859 -12.248 1.740 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.444 -11.581 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.609 -12.091 4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.783 -13.167 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.878 -11.422 3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.682 -10.702 5.047 1.00 0.00 H new ATOM 83 N GLU A 7 -4.343 -9.138 2.584 1.00 0.00 N ATOM 84 CA GLU A 7 -4.173 -7.709 2.821 1.00 0.00 C ATOM 85 C GLU A 7 -5.107 -6.895 1.929 1.00 0.00 C ATOM 86 O GLU A 7 -5.558 -5.813 2.307 1.00 0.00 O ATOM 87 CB GLU A 7 -2.722 -7.296 2.569 1.00 0.00 C ATOM 88 CG GLU A 7 -2.441 -5.836 2.881 1.00 0.00 C ATOM 89 CD GLU A 7 -2.056 -5.613 4.331 1.00 0.00 C ATOM 90 OE1 GLU A 7 -2.140 -6.575 5.122 1.00 0.00 O ATOM 91 OE2 GLU A 7 -1.671 -4.475 4.673 1.00 0.00 O ATOM 0 H GLU A 7 -3.635 -9.552 1.977 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.425 -7.507 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.065 -7.921 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.474 -7.490 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.638 -5.479 2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.325 -5.242 2.648 1.00 0.00 H new ATOM 98 N LEU A 8 -5.392 -7.423 0.743 1.00 0.00 N ATOM 99 CA LEU A 8 -6.271 -6.746 -0.204 1.00 0.00 C ATOM 100 C LEU A 8 -7.726 -6.831 0.247 1.00 0.00 C ATOM 101 O LEU A 8 -8.493 -5.884 0.081 1.00 0.00 O ATOM 102 CB LEU A 8 -6.120 -7.360 -1.597 1.00 0.00 C ATOM 103 CG LEU A 8 -7.101 -6.862 -2.659 1.00 0.00 C ATOM 104 CD1 LEU A 8 -6.965 -5.359 -2.849 1.00 0.00 C ATOM 105 CD2 LEU A 8 -6.877 -7.590 -3.976 1.00 0.00 C ATOM 0 H LEU A 8 -5.027 -8.317 0.415 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.983 -5.695 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.106 -7.168 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.228 -8.441 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.114 -7.074 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.671 -5.023 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.177 -4.853 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.950 -5.123 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.584 -7.223 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.859 -7.410 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.027 -8.660 -3.830 1.00 0.00 H new ATOM 117 N GLU A 9 -8.096 -7.972 0.821 1.00 0.00 N ATOM 118 CA GLU A 9 -9.459 -8.179 1.297 1.00 0.00 C ATOM 119 C GLU A 9 -9.749 -7.304 2.513 1.00 0.00 C ATOM 120 O GLU A 9 -10.877 -6.853 2.713 1.00 0.00 O ATOM 121 CB GLU A 9 -9.681 -9.651 1.650 1.00 0.00 C ATOM 122 CG GLU A 9 -8.695 -10.187 2.675 1.00 0.00 C ATOM 123 CD GLU A 9 -8.915 -11.655 2.985 1.00 0.00 C ATOM 124 OE1 GLU A 9 -8.813 -12.479 2.052 1.00 0.00 O ATOM 125 OE2 GLU A 9 -9.190 -11.979 4.159 1.00 0.00 O ATOM 0 H GLU A 9 -7.472 -8.766 0.967 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.143 -7.897 0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.694 -9.775 2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.608 -10.249 0.741 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.680 -10.046 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.782 -9.608 3.595 1.00 0.00 H new ATOM 132 N LYS A 10 -8.723 -7.067 3.323 1.00 0.00 N ATOM 133 CA LYS A 10 -8.865 -6.246 4.519 1.00 0.00 C ATOM 134 C LYS A 10 -9.550 -4.923 4.192 1.00 0.00 C ATOM 135 O LYS A 10 -10.264 -4.361 5.024 1.00 0.00 O ATOM 136 CB LYS A 10 -7.495 -5.981 5.147 1.00 0.00 C ATOM 137 CG LYS A 10 -7.040 -7.074 6.099 1.00 0.00 C ATOM 138 CD LYS A 10 -7.932 -7.150 7.327 1.00 0.00 C ATOM 139 CE LYS A 10 -7.200 -7.765 8.510 1.00 0.00 C ATOM 140 NZ LYS A 10 -8.032 -7.751 9.745 1.00 0.00 N ATOM 0 H LYS A 10 -7.783 -7.433 3.172 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.485 -6.790 5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.756 -5.871 4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.528 -5.033 5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.047 -8.034 5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.011 -6.885 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.276 -6.150 7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.818 -7.742 7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.922 -8.791 8.271 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.275 -7.217 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.498 -8.179 10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.277 -6.770 9.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.903 -8.295 9.583 1.00 0.00 H new ATOM 154 N ILE A 11 -9.330 -4.432 2.978 1.00 0.00 N ATOM 155 CA ILE A 11 -9.928 -3.176 2.541 1.00 0.00 C ATOM 156 C ILE A 11 -11.430 -3.329 2.326 1.00 0.00 C ATOM 157 O ILE A 11 -12.236 -2.777 3.077 1.00 0.00 O ATOM 158 CB ILE A 11 -9.284 -2.668 1.238 1.00 0.00 C ATOM 159 CG1 ILE A 11 -7.782 -2.452 1.437 1.00 0.00 C ATOM 160 CG2 ILE A 11 -9.954 -1.381 0.783 1.00 0.00 C ATOM 161 CD1 ILE A 11 -6.929 -3.546 0.834 1.00 0.00 C ATOM 0 H ILE A 11 -8.742 -4.885 2.278 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.748 -2.449 3.333 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.424 -3.421 0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.499 -1.497 0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.571 -2.385 2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.488 -1.034 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.014 -1.565 0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.841 -0.620 1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.876 -3.327 1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.184 -4.501 1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.111 -3.599 -0.239 1.00 0.00 H new ATOM 173 N LEU A 12 -11.801 -4.084 1.298 1.00 0.00 N ATOM 174 CA LEU A 12 -13.208 -4.312 0.985 1.00 0.00 C ATOM 175 C LEU A 12 -13.965 -4.810 2.211 1.00 0.00 C ATOM 176 O LEU A 12 -15.149 -4.520 2.384 1.00 0.00 O ATOM 177 CB LEU A 12 -13.339 -5.324 -0.155 1.00 0.00 C ATOM 178 CG LEU A 12 -12.871 -4.849 -1.531 1.00 0.00 C ATOM 179 CD1 LEU A 12 -13.105 -5.928 -2.577 1.00 0.00 C ATOM 180 CD2 LEU A 12 -13.583 -3.562 -1.922 1.00 0.00 C ATOM 0 H LEU A 12 -11.148 -4.549 0.667 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.644 -3.363 0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.773 -6.216 0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.385 -5.621 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.801 -4.648 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.766 -5.572 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.549 -6.825 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -14.168 -6.162 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -13.237 -3.239 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.658 -3.737 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.364 -2.787 -1.187 1.00 0.00 H new ATOM 192 N LYS A 13 -13.274 -5.561 3.063 1.00 0.00 N ATOM 193 CA LYS A 13 -13.879 -6.097 4.276 1.00 0.00 C ATOM 194 C LYS A 13 -14.523 -4.986 5.100 1.00 0.00 C ATOM 195 O LYS A 13 -15.476 -5.222 5.842 1.00 0.00 O ATOM 196 CB LYS A 13 -12.827 -6.824 5.116 1.00 0.00 C ATOM 197 CG LYS A 13 -12.658 -8.287 4.745 1.00 0.00 C ATOM 198 CD LYS A 13 -12.533 -9.165 5.979 1.00 0.00 C ATOM 199 CE LYS A 13 -13.850 -9.251 6.736 1.00 0.00 C ATOM 200 NZ LYS A 13 -13.666 -9.807 8.106 1.00 0.00 N ATOM 0 H LYS A 13 -12.294 -5.812 2.935 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.655 -6.805 3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.869 -6.316 5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.102 -6.754 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.511 -8.613 4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.771 -8.405 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.215 -10.165 5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.760 -8.765 6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.296 -8.259 6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.548 -9.877 6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.586 -9.850 8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.264 -10.764 8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.020 -9.196 8.645 1.00 0.00 H new ATOM 214 N LYS A 14 -13.998 -3.773 4.962 1.00 0.00 N ATOM 215 CA LYS A 14 -14.523 -2.624 5.691 1.00 0.00 C ATOM 216 C LYS A 14 -16.029 -2.493 5.487 1.00 0.00 C ATOM 217 O LYS A 14 -16.763 -2.155 6.416 1.00 0.00 O ATOM 218 CB LYS A 14 -13.822 -1.342 5.236 1.00 0.00 C ATOM 219 CG LYS A 14 -12.419 -1.184 5.797 1.00 0.00 C ATOM 220 CD LYS A 14 -12.432 -1.102 7.314 1.00 0.00 C ATOM 221 CE LYS A 14 -11.245 -0.309 7.840 1.00 0.00 C ATOM 222 NZ LYS A 14 -10.137 -1.199 8.285 1.00 0.00 N ATOM 0 H LYS A 14 -13.209 -3.560 4.352 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.330 -2.779 6.753 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.772 -1.332 4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.423 -0.483 5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.803 -2.027 5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.961 -0.284 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.359 -0.635 7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.414 -2.108 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.882 0.361 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.566 0.316 8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.279 -0.633 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.407 -1.673 9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.950 -1.913 7.553 1.00 0.00 H new ATOM 236 N SER A 15 -16.482 -2.763 4.267 1.00 0.00 N ATOM 237 CA SER A 15 -17.901 -2.672 3.942 1.00 0.00 C ATOM 238 C SER A 15 -18.494 -4.058 3.709 1.00 0.00 C ATOM 239 O SER A 15 -19.549 -4.394 4.249 1.00 0.00 O ATOM 240 CB SER A 15 -18.106 -1.802 2.701 1.00 0.00 C ATOM 241 OG SER A 15 -19.455 -1.843 2.267 1.00 0.00 O ATOM 0 H SER A 15 -15.888 -3.046 3.488 1.00 0.00 H new ATOM 0 HA SER A 15 -18.414 -2.213 4.787 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.823 -0.773 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.452 -2.146 1.900 1.00 0.00 H new ATOM 0 HG SER A 15 -19.594 -2.634 1.706 1.00 0.00 H new ATOM 247 N PHE A 16 -17.809 -4.860 2.900 1.00 0.00 N ATOM 248 CA PHE A 16 -18.268 -6.210 2.593 1.00 0.00 C ATOM 249 C PHE A 16 -17.322 -7.253 3.183 1.00 0.00 C ATOM 250 O PHE A 16 -16.521 -7.869 2.479 1.00 0.00 O ATOM 251 CB PHE A 16 -18.378 -6.402 1.079 1.00 0.00 C ATOM 252 CG PHE A 16 -19.057 -5.261 0.378 1.00 0.00 C ATOM 253 CD1 PHE A 16 -20.266 -4.767 0.841 1.00 0.00 C ATOM 254 CD2 PHE A 16 -18.487 -4.683 -0.745 1.00 0.00 C ATOM 255 CE1 PHE A 16 -20.894 -3.717 0.198 1.00 0.00 C ATOM 256 CE2 PHE A 16 -19.110 -3.632 -1.392 1.00 0.00 C ATOM 257 CZ PHE A 16 -20.316 -3.150 -0.920 1.00 0.00 C ATOM 0 H PHE A 16 -16.934 -4.598 2.445 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.253 -6.343 3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -17.378 -6.530 0.663 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -18.928 -7.321 0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -20.723 -5.208 1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -17.546 -5.058 -1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -21.836 -3.341 0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -18.655 -3.188 -2.265 1.00 0.00 H new ATOM 0 HZ PHE A 16 -20.806 -2.331 -1.425 1.00 0.00 H new ATOM 267 N PRO A 17 -17.415 -7.455 4.505 1.00 0.00 N ATOM 268 CA PRO A 17 -16.576 -8.422 5.219 1.00 0.00 C ATOM 269 C PRO A 17 -16.932 -9.864 4.874 1.00 0.00 C ATOM 270 O PRO A 17 -16.055 -10.677 4.583 1.00 0.00 O ATOM 271 CB PRO A 17 -16.878 -8.135 6.692 1.00 0.00 C ATOM 272 CG PRO A 17 -18.241 -7.532 6.689 1.00 0.00 C ATOM 273 CD PRO A 17 -18.347 -6.756 5.405 1.00 0.00 C ATOM 0 HA PRO A 17 -15.523 -8.319 4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.850 -9.048 7.287 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -16.144 -7.453 7.121 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -19.009 -8.303 6.743 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -18.382 -6.881 7.552 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -19.364 -6.763 5.014 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -18.066 -5.712 5.542 1.00 0.00 H new ATOM 281 N SER A 18 -18.224 -10.174 4.909 1.00 0.00 N ATOM 282 CA SER A 18 -18.696 -11.520 4.603 1.00 0.00 C ATOM 283 C SER A 18 -18.406 -11.880 3.149 1.00 0.00 C ATOM 284 O SER A 18 -18.249 -13.052 2.807 1.00 0.00 O ATOM 285 CB SER A 18 -20.196 -11.633 4.879 1.00 0.00 C ATOM 286 OG SER A 18 -20.950 -11.420 3.698 1.00 0.00 O ATOM 0 H SER A 18 -18.963 -9.512 5.146 1.00 0.00 H new ATOM 0 HA SER A 18 -18.162 -12.220 5.246 1.00 0.00 H new ATOM 0 HB2 SER A 18 -20.421 -12.619 5.285 1.00 0.00 H new ATOM 0 HB3 SER A 18 -20.486 -10.904 5.635 1.00 0.00 H new ATOM 0 HG SER A 18 -21.905 -11.499 3.901 1.00 0.00 H new ATOM 292 N SER A 19 -18.338 -10.862 2.296 1.00 0.00 N ATOM 293 CA SER A 19 -18.071 -11.070 0.878 1.00 0.00 C ATOM 294 C SER A 19 -16.825 -11.927 0.679 1.00 0.00 C ATOM 295 O SER A 19 -15.975 -12.022 1.564 1.00 0.00 O ATOM 296 CB SER A 19 -17.898 -9.726 0.168 1.00 0.00 C ATOM 297 OG SER A 19 -16.743 -9.728 -0.654 1.00 0.00 O ATOM 0 H SER A 19 -18.464 -9.886 2.563 1.00 0.00 H new ATOM 0 HA SER A 19 -18.924 -11.594 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 19 -18.779 -9.515 -0.438 1.00 0.00 H new ATOM 0 HB3 SER A 19 -17.821 -8.928 0.907 1.00 0.00 H new ATOM 0 HG SER A 19 -16.064 -9.139 -0.265 1.00 0.00 H new ATOM 303 N VAL A 20 -16.724 -12.550 -0.491 1.00 0.00 N ATOM 304 CA VAL A 20 -15.582 -13.399 -0.809 1.00 0.00 C ATOM 305 C VAL A 20 -14.562 -12.653 -1.661 1.00 0.00 C ATOM 306 O VAL A 20 -14.682 -12.600 -2.886 1.00 0.00 O ATOM 307 CB VAL A 20 -16.021 -14.675 -1.552 1.00 0.00 C ATOM 308 CG1 VAL A 20 -14.813 -15.530 -1.904 1.00 0.00 C ATOM 309 CG2 VAL A 20 -17.016 -15.463 -0.714 1.00 0.00 C ATOM 0 H VAL A 20 -17.419 -12.483 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.123 -13.679 0.139 1.00 0.00 H new ATOM 0 HB VAL A 20 -16.513 -14.384 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -15.142 -16.427 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -14.139 -14.962 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.290 -15.815 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -17.316 -16.361 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -16.552 -15.745 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -17.894 -14.848 -0.518 1.00 0.00 H new ATOM 319 N ILE A 21 -13.559 -12.078 -1.006 1.00 0.00 N ATOM 320 CA ILE A 21 -12.517 -11.336 -1.705 1.00 0.00 C ATOM 321 C ILE A 21 -11.356 -12.247 -2.088 1.00 0.00 C ATOM 322 O ILE A 21 -10.601 -12.704 -1.229 1.00 0.00 O ATOM 323 CB ILE A 21 -11.982 -10.174 -0.846 1.00 0.00 C ATOM 324 CG1 ILE A 21 -13.141 -9.335 -0.304 1.00 0.00 C ATOM 325 CG2 ILE A 21 -11.031 -9.309 -1.660 1.00 0.00 C ATOM 326 CD1 ILE A 21 -13.518 -9.674 1.121 1.00 0.00 C ATOM 0 H ILE A 21 -13.446 -12.112 0.007 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.970 -10.930 -2.609 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.433 -10.589 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.872 -8.280 -0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.011 -9.476 -0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.661 -8.492 -1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.191 -9.914 -2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.558 -8.900 -2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.346 -9.040 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.819 -10.720 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.661 -9.506 1.774 1.00 0.00 H new ATOM 338 N LYS A 22 -11.217 -12.506 -3.384 1.00 0.00 N ATOM 339 CA LYS A 22 -10.146 -13.360 -3.883 1.00 0.00 C ATOM 340 C LYS A 22 -9.455 -12.720 -5.083 1.00 0.00 C ATOM 341 O LYS A 22 -10.068 -11.956 -5.830 1.00 0.00 O ATOM 342 CB LYS A 22 -10.700 -14.732 -4.273 1.00 0.00 C ATOM 343 CG LYS A 22 -9.692 -15.859 -4.126 1.00 0.00 C ATOM 344 CD LYS A 22 -10.281 -17.193 -4.551 1.00 0.00 C ATOM 345 CE LYS A 22 -11.016 -17.869 -3.404 1.00 0.00 C ATOM 346 NZ LYS A 22 -10.082 -18.309 -2.331 1.00 0.00 N ATOM 0 H LYS A 22 -11.833 -12.136 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.413 -13.484 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.571 -14.952 -3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.043 -14.695 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.811 -15.641 -4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.362 -15.920 -3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.967 -17.040 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.485 -17.846 -4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.750 -17.180 -2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.566 -18.730 -3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.527 -19.064 -1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.205 -18.667 -2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.861 -17.504 -1.711 1.00 0.00 H new ATOM 360 N ILE A 23 -8.177 -13.037 -5.262 1.00 0.00 N ATOM 361 CA ILE A 23 -7.404 -12.494 -6.372 1.00 0.00 C ATOM 362 C ILE A 23 -7.000 -13.593 -7.349 1.00 0.00 C ATOM 363 O ILE A 23 -6.546 -14.663 -6.945 1.00 0.00 O ATOM 364 CB ILE A 23 -6.138 -11.772 -5.877 1.00 0.00 C ATOM 365 CG1 ILE A 23 -6.512 -10.637 -4.921 1.00 0.00 C ATOM 366 CG2 ILE A 23 -5.338 -11.237 -7.055 1.00 0.00 C ATOM 367 CD1 ILE A 23 -6.658 -11.082 -3.483 1.00 0.00 C ATOM 0 H ILE A 23 -7.655 -13.667 -4.653 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.046 -11.775 -6.882 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.518 -12.487 -5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.750 -9.860 -4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.449 -10.189 -5.251 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.446 -10.729 -6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.045 -12.064 -7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.949 -10.534 -7.621 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.924 -10.226 -2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.441 -11.838 -3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.715 -11.503 -3.135 1.00 0.00 H new ATOM 379 N THR A 24 -7.167 -13.320 -8.640 1.00 0.00 N ATOM 380 CA THR A 24 -6.819 -14.285 -9.676 1.00 0.00 C ATOM 381 C THR A 24 -6.011 -13.629 -10.789 1.00 0.00 C ATOM 382 O THR A 24 -6.269 -12.485 -11.166 1.00 0.00 O ATOM 383 CB THR A 24 -8.077 -14.933 -10.284 1.00 0.00 C ATOM 384 OG1 THR A 24 -8.841 -15.578 -9.259 1.00 0.00 O ATOM 385 CG2 THR A 24 -7.699 -15.946 -11.355 1.00 0.00 C ATOM 0 H THR A 24 -7.541 -12.439 -8.993 1.00 0.00 H new ATOM 0 HA THR A 24 -6.215 -15.057 -9.199 1.00 0.00 H new ATOM 0 HB THR A 24 -8.677 -14.148 -10.743 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.640 -15.986 -9.654 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.603 -16.391 -11.770 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.143 -15.446 -12.148 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.080 -16.727 -10.914 1.00 0.00 H new ATOM 393 N ASP A 25 -5.032 -14.359 -11.312 1.00 0.00 N ATOM 394 CA ASP A 25 -4.186 -13.848 -12.384 1.00 0.00 C ATOM 395 C ASP A 25 -4.894 -13.951 -13.731 1.00 0.00 C ATOM 396 O ASP A 25 -5.447 -14.996 -14.076 1.00 0.00 O ATOM 397 CB ASP A 25 -2.864 -14.615 -12.429 1.00 0.00 C ATOM 398 CG ASP A 25 -3.050 -16.066 -12.826 1.00 0.00 C ATOM 399 OD1 ASP A 25 -3.990 -16.706 -12.310 1.00 0.00 O ATOM 400 OD2 ASP A 25 -2.255 -16.563 -13.652 1.00 0.00 O ATOM 0 H ASP A 25 -4.805 -15.307 -11.011 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.980 -12.797 -12.181 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.191 -14.131 -13.136 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.386 -14.567 -11.450 1.00 0.00 H new ATOM 405 N LEU A 26 -4.875 -12.860 -14.489 1.00 0.00 N ATOM 406 CA LEU A 26 -5.517 -12.826 -15.798 1.00 0.00 C ATOM 407 C LEU A 26 -4.507 -13.106 -16.907 1.00 0.00 C ATOM 408 O LEU A 26 -4.696 -14.010 -17.720 1.00 0.00 O ATOM 409 CB LEU A 26 -6.181 -11.468 -16.028 1.00 0.00 C ATOM 410 CG LEU A 26 -7.630 -11.340 -15.556 1.00 0.00 C ATOM 411 CD1 LEU A 26 -8.029 -9.876 -15.449 1.00 0.00 C ATOM 412 CD2 LEU A 26 -8.566 -12.083 -16.498 1.00 0.00 C ATOM 0 H LEU A 26 -4.422 -11.987 -14.219 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.280 -13.604 -15.821 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.587 -10.706 -15.524 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.146 -11.245 -17.094 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.711 -11.791 -14.567 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.063 -9.804 -15.112 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.378 -9.373 -14.734 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.932 -9.400 -16.425 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.593 -11.981 -16.146 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.482 -11.663 -17.500 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.294 -13.138 -16.523 1.00 0.00 H new ATOM 424 N VAL A 27 -3.432 -12.324 -16.932 1.00 0.00 N ATOM 425 CA VAL A 27 -2.390 -12.489 -17.938 1.00 0.00 C ATOM 426 C VAL A 27 -1.069 -12.899 -17.298 1.00 0.00 C ATOM 427 O VAL A 27 -0.336 -13.726 -17.838 1.00 0.00 O ATOM 428 CB VAL A 27 -2.178 -11.194 -18.744 1.00 0.00 C ATOM 429 CG1 VAL A 27 -3.326 -10.975 -19.717 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.027 -10.003 -17.809 1.00 0.00 C ATOM 0 H VAL A 27 -3.260 -11.570 -16.267 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.723 -13.277 -18.613 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.259 -11.293 -19.321 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.158 -10.055 -20.277 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.382 -11.816 -20.408 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.262 -10.897 -19.164 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.878 -9.096 -18.396 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.927 -9.899 -17.203 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.167 -10.159 -17.157 1.00 0.00 H new ATOM 440 N GLY A 28 -0.770 -12.314 -16.142 1.00 0.00 N ATOM 441 CA GLY A 28 0.463 -12.631 -15.446 1.00 0.00 C ATOM 442 C GLY A 28 1.682 -12.042 -16.129 1.00 0.00 C ATOM 443 O GLY A 28 2.729 -12.684 -16.207 1.00 0.00 O ATOM 0 H GLY A 28 -1.360 -11.626 -15.675 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.406 -12.256 -14.424 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.573 -13.714 -15.383 1.00 0.00 H new ATOM 447 N ASP A 29 1.545 -10.818 -16.626 1.00 0.00 N ATOM 448 CA ASP A 29 2.644 -10.142 -17.306 1.00 0.00 C ATOM 449 C ASP A 29 3.045 -8.872 -16.561 1.00 0.00 C ATOM 450 O ASP A 29 4.228 -8.547 -16.465 1.00 0.00 O ATOM 451 CB ASP A 29 2.249 -9.801 -18.744 1.00 0.00 C ATOM 452 CG ASP A 29 3.447 -9.722 -19.670 1.00 0.00 C ATOM 453 OD1 ASP A 29 4.404 -8.990 -19.341 1.00 0.00 O ATOM 454 OD2 ASP A 29 3.427 -10.390 -20.725 1.00 0.00 O ATOM 0 H ASP A 29 0.684 -10.274 -16.571 1.00 0.00 H new ATOM 0 HA ASP A 29 3.499 -10.818 -17.322 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.555 -10.555 -19.116 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.720 -8.848 -18.756 1.00 0.00 H new ATOM 459 N GLN A 30 2.052 -8.160 -16.038 1.00 0.00 N ATOM 460 CA GLN A 30 2.303 -6.926 -15.304 1.00 0.00 C ATOM 461 C GLN A 30 1.705 -6.996 -13.902 1.00 0.00 C ATOM 462 O GLN A 30 1.243 -5.990 -13.363 1.00 0.00 O ATOM 463 CB GLN A 30 1.721 -5.730 -16.060 1.00 0.00 C ATOM 464 CG GLN A 30 0.226 -5.838 -16.311 1.00 0.00 C ATOM 465 CD GLN A 30 -0.593 -5.051 -15.307 1.00 0.00 C ATOM 466 OE1 GLN A 30 -0.501 -3.825 -15.239 1.00 0.00 O ATOM 467 NE2 GLN A 30 -1.399 -5.753 -14.520 1.00 0.00 N ATOM 0 H GLN A 30 1.067 -8.416 -16.109 1.00 0.00 H new ATOM 0 HA GLN A 30 3.382 -6.799 -15.214 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.921 -4.820 -15.494 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.235 -5.630 -17.016 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.003 -5.480 -17.316 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.070 -6.886 -16.273 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.444 -6.768 -14.611 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.974 -5.277 -13.824 1.00 0.00 H new ATOM 476 N ASP A 31 1.717 -8.189 -13.318 1.00 0.00 N ATOM 477 CA ASP A 31 1.176 -8.389 -11.979 1.00 0.00 C ATOM 478 C ASP A 31 -0.317 -8.081 -11.944 1.00 0.00 C ATOM 479 O ASP A 31 -0.794 -7.367 -11.061 1.00 0.00 O ATOM 480 CB ASP A 31 1.915 -7.509 -10.970 1.00 0.00 C ATOM 481 CG ASP A 31 3.404 -7.434 -11.248 1.00 0.00 C ATOM 482 OD1 ASP A 31 4.123 -8.390 -10.891 1.00 0.00 O ATOM 483 OD2 ASP A 31 3.849 -6.419 -11.823 1.00 0.00 O ATOM 0 H ASP A 31 2.095 -9.032 -13.751 1.00 0.00 H new ATOM 0 HA ASP A 31 1.319 -9.435 -11.709 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.493 -6.504 -10.991 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.755 -7.900 -9.965 1.00 0.00 H new ATOM 488 N HIS A 32 -1.051 -8.624 -12.910 1.00 0.00 N ATOM 489 CA HIS A 32 -2.491 -8.407 -12.990 1.00 0.00 C ATOM 490 C HIS A 32 -3.213 -9.122 -11.852 1.00 0.00 C ATOM 491 O HIS A 32 -2.912 -10.275 -11.541 1.00 0.00 O ATOM 492 CB HIS A 32 -3.028 -8.894 -14.336 1.00 0.00 C ATOM 493 CG HIS A 32 -4.238 -8.146 -14.805 1.00 0.00 C ATOM 494 ND1 HIS A 32 -5.311 -7.862 -13.987 1.00 0.00 N ATOM 495 CD2 HIS A 32 -4.539 -7.620 -16.015 1.00 0.00 C ATOM 496 CE1 HIS A 32 -6.222 -7.196 -14.675 1.00 0.00 C ATOM 497 NE2 HIS A 32 -5.777 -7.036 -15.908 1.00 0.00 N ATOM 0 H HIS A 32 -0.672 -9.217 -13.648 1.00 0.00 H new ATOM 0 HA HIS A 32 -2.677 -7.337 -12.899 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.242 -8.803 -15.086 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.273 -9.953 -14.258 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -3.921 -7.653 -16.900 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.169 -6.843 -14.294 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.273 -6.556 -16.659 1.00 0.00 H new ATOM 505 N TYR A 33 -4.164 -8.431 -11.234 1.00 0.00 N ATOM 506 CA TYR A 33 -4.926 -9.000 -10.128 1.00 0.00 C ATOM 507 C TYR A 33 -6.425 -8.847 -10.364 1.00 0.00 C ATOM 508 O TYR A 33 -6.923 -7.740 -10.569 1.00 0.00 O ATOM 509 CB TYR A 33 -4.534 -8.326 -8.812 1.00 0.00 C ATOM 510 CG TYR A 33 -3.054 -8.398 -8.512 1.00 0.00 C ATOM 511 CD1 TYR A 33 -2.379 -9.612 -8.531 1.00 0.00 C ATOM 512 CD2 TYR A 33 -2.330 -7.250 -8.211 1.00 0.00 C ATOM 513 CE1 TYR A 33 -1.027 -9.682 -8.257 1.00 0.00 C ATOM 514 CE2 TYR A 33 -0.977 -7.310 -7.937 1.00 0.00 C ATOM 515 CZ TYR A 33 -0.330 -8.528 -7.961 1.00 0.00 C ATOM 516 OH TYR A 33 1.017 -8.594 -7.689 1.00 0.00 O ATOM 0 H TYR A 33 -4.426 -7.476 -11.480 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.693 -10.063 -10.068 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.839 -7.280 -8.844 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.085 -8.794 -7.996 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.921 -10.517 -8.764 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.834 -6.295 -8.191 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.518 -10.634 -8.274 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.429 -6.408 -7.705 1.00 0.00 H new ATOM 0 HH TYR A 33 1.357 -7.694 -7.502 1.00 0.00 H new ATOM 526 N ALA A 34 -7.140 -9.967 -10.333 1.00 0.00 N ATOM 527 CA ALA A 34 -8.583 -9.959 -10.541 1.00 0.00 C ATOM 528 C ALA A 34 -9.329 -10.015 -9.212 1.00 0.00 C ATOM 529 O ALA A 34 -9.475 -11.082 -8.615 1.00 0.00 O ATOM 530 CB ALA A 34 -8.994 -11.123 -11.429 1.00 0.00 C ATOM 0 H ALA A 34 -6.743 -10.892 -10.166 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.849 -9.026 -11.038 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.074 -11.105 -11.576 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.495 -11.038 -12.394 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.708 -12.062 -10.954 1.00 0.00 H new ATOM 536 N LEU A 35 -9.799 -8.860 -8.754 1.00 0.00 N ATOM 537 CA LEU A 35 -10.530 -8.777 -7.494 1.00 0.00 C ATOM 538 C LEU A 35 -11.985 -9.194 -7.681 1.00 0.00 C ATOM 539 O LEU A 35 -12.788 -8.447 -8.240 1.00 0.00 O ATOM 540 CB LEU A 35 -10.463 -7.354 -6.936 1.00 0.00 C ATOM 541 CG LEU A 35 -11.423 -7.038 -5.788 1.00 0.00 C ATOM 542 CD1 LEU A 35 -11.012 -7.784 -4.528 1.00 0.00 C ATOM 543 CD2 LEU A 35 -11.472 -5.539 -5.531 1.00 0.00 C ATOM 0 H LEU A 35 -9.687 -7.968 -9.236 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.063 -9.461 -6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.445 -7.167 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.659 -6.656 -7.750 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.421 -7.370 -6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.706 -7.547 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.030 -8.857 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.005 -7.483 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.160 -5.333 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.476 -5.182 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.815 -5.027 -6.430 1.00 0.00 H new ATOM 555 N GLU A 36 -12.318 -10.391 -7.207 1.00 0.00 N ATOM 556 CA GLU A 36 -13.677 -10.906 -7.321 1.00 0.00 C ATOM 557 C GLU A 36 -14.422 -10.776 -5.995 1.00 0.00 C ATOM 558 O GLU A 36 -13.930 -11.206 -4.951 1.00 0.00 O ATOM 559 CB GLU A 36 -13.656 -12.370 -7.765 1.00 0.00 C ATOM 560 CG GLU A 36 -12.730 -13.244 -6.937 1.00 0.00 C ATOM 561 CD GLU A 36 -12.920 -14.723 -7.215 1.00 0.00 C ATOM 562 OE1 GLU A 36 -13.931 -15.289 -6.748 1.00 0.00 O ATOM 563 OE2 GLU A 36 -12.058 -15.314 -7.898 1.00 0.00 O ATOM 0 H GLU A 36 -11.665 -11.021 -6.741 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.200 -10.314 -8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.668 -12.772 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.350 -12.420 -8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.696 -12.969 -7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.905 -13.052 -5.878 1.00 0.00 H new ATOM 570 N ILE A 37 -15.608 -10.180 -6.045 1.00 0.00 N ATOM 571 CA ILE A 37 -16.420 -9.994 -4.849 1.00 0.00 C ATOM 572 C ILE A 37 -17.792 -10.641 -5.009 1.00 0.00 C ATOM 573 O ILE A 37 -18.526 -10.339 -5.950 1.00 0.00 O ATOM 574 CB ILE A 37 -16.605 -8.501 -4.520 1.00 0.00 C ATOM 575 CG1 ILE A 37 -17.488 -8.334 -3.283 1.00 0.00 C ATOM 576 CG2 ILE A 37 -17.206 -7.767 -5.710 1.00 0.00 C ATOM 577 CD1 ILE A 37 -16.968 -7.305 -2.303 1.00 0.00 C ATOM 0 H ILE A 37 -16.028 -9.818 -6.901 1.00 0.00 H new ATOM 0 HA ILE A 37 -15.887 -10.475 -4.029 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.628 -8.068 -4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -18.491 -8.048 -3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -17.575 -9.295 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -17.331 -6.713 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -16.542 -7.862 -6.569 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -18.176 -8.200 -5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -17.644 -7.240 -1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -15.977 -7.599 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -16.908 -6.333 -2.793 1.00 0.00 H new ATOM 589 N SER A 38 -18.132 -11.532 -4.083 1.00 0.00 N ATOM 590 CA SER A 38 -19.415 -12.223 -4.123 1.00 0.00 C ATOM 591 C SER A 38 -20.222 -11.944 -2.858 1.00 0.00 C ATOM 592 O SER A 38 -19.858 -12.385 -1.767 1.00 0.00 O ATOM 593 CB SER A 38 -19.202 -13.730 -4.283 1.00 0.00 C ATOM 594 OG SER A 38 -20.294 -14.459 -3.751 1.00 0.00 O ATOM 0 H SER A 38 -17.537 -11.792 -3.296 1.00 0.00 H new ATOM 0 HA SER A 38 -19.974 -11.849 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 38 -19.078 -13.973 -5.338 1.00 0.00 H new ATOM 0 HB3 SER A 38 -18.283 -14.026 -3.778 1.00 0.00 H new ATOM 0 HG SER A 38 -20.134 -15.419 -3.867 1.00 0.00 H new ATOM 600 N ASP A 39 -21.318 -11.210 -3.013 1.00 0.00 N ATOM 601 CA ASP A 39 -22.178 -10.872 -1.885 1.00 0.00 C ATOM 602 C ASP A 39 -23.615 -10.650 -2.345 1.00 0.00 C ATOM 603 O ASP A 39 -23.903 -10.662 -3.541 1.00 0.00 O ATOM 604 CB ASP A 39 -21.657 -9.621 -1.176 1.00 0.00 C ATOM 605 CG ASP A 39 -21.408 -8.473 -2.134 1.00 0.00 C ATOM 606 OD1 ASP A 39 -22.335 -8.125 -2.896 1.00 0.00 O ATOM 607 OD2 ASP A 39 -20.288 -7.923 -2.122 1.00 0.00 O ATOM 0 H ASP A 39 -21.632 -10.837 -3.909 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.165 -11.708 -1.186 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -22.377 -9.309 -0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -20.731 -9.862 -0.654 1.00 0.00 H new ATOM 612 N ALA A 40 -24.513 -10.448 -1.386 1.00 0.00 N ATOM 613 CA ALA A 40 -25.920 -10.222 -1.692 1.00 0.00 C ATOM 614 C ALA A 40 -26.262 -8.737 -1.641 1.00 0.00 C ATOM 615 O ALA A 40 -27.412 -8.364 -1.413 1.00 0.00 O ATOM 616 CB ALA A 40 -26.802 -11.002 -0.729 1.00 0.00 C ATOM 0 H ALA A 40 -24.291 -10.436 -0.391 1.00 0.00 H new ATOM 0 HA ALA A 40 -26.106 -10.576 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -27.850 -10.824 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -26.585 -12.067 -0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -26.603 -10.676 0.292 1.00 0.00 H new ATOM 622 N GLN A 41 -25.255 -7.895 -1.853 1.00 0.00 N ATOM 623 CA GLN A 41 -25.450 -6.450 -1.828 1.00 0.00 C ATOM 624 C GLN A 41 -25.290 -5.856 -3.224 1.00 0.00 C ATOM 625 O GLN A 41 -25.694 -4.721 -3.476 1.00 0.00 O ATOM 626 CB GLN A 41 -24.457 -5.796 -0.866 1.00 0.00 C ATOM 627 CG GLN A 41 -24.617 -6.253 0.575 1.00 0.00 C ATOM 628 CD GLN A 41 -23.329 -6.142 1.368 1.00 0.00 C ATOM 629 OE1 GLN A 41 -23.011 -5.084 1.912 1.00 0.00 O ATOM 630 NE2 GLN A 41 -22.581 -7.237 1.439 1.00 0.00 N ATOM 0 H GLN A 41 -24.297 -8.188 -2.044 1.00 0.00 H new ATOM 0 HA GLN A 41 -26.464 -6.251 -1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -23.443 -6.017 -1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -24.579 -4.714 -0.911 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -25.390 -5.655 1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -24.960 -7.288 0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -22.883 -8.092 0.973 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -21.704 -7.223 1.960 1.00 0.00 H new ATOM 639 N PHE A 42 -24.699 -6.631 -4.127 1.00 0.00 N ATOM 640 CA PHE A 42 -24.484 -6.180 -5.497 1.00 0.00 C ATOM 641 C PHE A 42 -25.608 -6.662 -6.411 1.00 0.00 C ATOM 642 O PHE A 42 -25.418 -6.819 -7.616 1.00 0.00 O ATOM 643 CB PHE A 42 -23.137 -6.686 -6.018 1.00 0.00 C ATOM 644 CG PHE A 42 -21.970 -5.857 -5.563 1.00 0.00 C ATOM 645 CD1 PHE A 42 -21.914 -4.501 -5.846 1.00 0.00 C ATOM 646 CD2 PHE A 42 -20.928 -6.433 -4.854 1.00 0.00 C ATOM 647 CE1 PHE A 42 -20.841 -3.735 -5.430 1.00 0.00 C ATOM 648 CE2 PHE A 42 -19.854 -5.672 -4.434 1.00 0.00 C ATOM 649 CZ PHE A 42 -19.809 -4.322 -4.723 1.00 0.00 C ATOM 0 H PHE A 42 -24.361 -7.574 -3.935 1.00 0.00 H new ATOM 0 HA PHE A 42 -24.480 -5.090 -5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.992 -7.715 -5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -23.160 -6.700 -7.108 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -22.718 -4.038 -6.398 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.956 -7.489 -4.627 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -20.809 -2.680 -5.657 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -19.050 -6.133 -3.880 1.00 0.00 H new ATOM 0 HZ PHE A 42 -18.969 -3.727 -4.397 1.00 0.00 H new ATOM 659 N ASN A 43 -26.779 -6.894 -5.826 1.00 0.00 N ATOM 660 CA ASN A 43 -27.933 -7.359 -6.586 1.00 0.00 C ATOM 661 C ASN A 43 -28.839 -6.192 -6.968 1.00 0.00 C ATOM 662 O ASN A 43 -29.296 -5.440 -6.108 1.00 0.00 O ATOM 663 CB ASN A 43 -28.724 -8.388 -5.775 1.00 0.00 C ATOM 664 CG ASN A 43 -28.163 -9.790 -5.917 1.00 0.00 C ATOM 665 OD1 ASN A 43 -28.476 -10.502 -6.871 1.00 0.00 O ATOM 666 ND2 ASN A 43 -27.330 -10.192 -4.965 1.00 0.00 N ATOM 0 H ASN A 43 -26.953 -6.768 -4.829 1.00 0.00 H new ATOM 0 HA ASN A 43 -27.569 -7.828 -7.500 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -28.717 -8.101 -4.723 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -29.764 -8.381 -6.100 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -26.921 -11.125 -5.006 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -27.099 -9.567 -4.192 1.00 0.00 H new ATOM 673 N GLY A 44 -29.094 -6.047 -8.265 1.00 0.00 N ATOM 674 CA GLY A 44 -29.944 -4.970 -8.738 1.00 0.00 C ATOM 675 C GLY A 44 -29.155 -3.731 -9.114 1.00 0.00 C ATOM 676 O GLY A 44 -29.719 -2.645 -9.252 1.00 0.00 O ATOM 0 H GLY A 44 -28.727 -6.656 -8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -30.511 -5.312 -9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -30.667 -4.715 -7.963 1.00 0.00 H new ATOM 680 N LEU A 45 -27.847 -3.892 -9.279 1.00 0.00 N ATOM 681 CA LEU A 45 -26.978 -2.777 -9.640 1.00 0.00 C ATOM 682 C LEU A 45 -26.438 -2.944 -11.056 1.00 0.00 C ATOM 683 O LEU A 45 -26.684 -3.958 -11.710 1.00 0.00 O ATOM 684 CB LEU A 45 -25.818 -2.668 -8.649 1.00 0.00 C ATOM 685 CG LEU A 45 -26.151 -2.051 -7.290 1.00 0.00 C ATOM 686 CD1 LEU A 45 -25.184 -2.548 -6.226 1.00 0.00 C ATOM 687 CD2 LEU A 45 -26.121 -0.532 -7.372 1.00 0.00 C ATOM 0 H LEU A 45 -27.364 -4.784 -9.169 1.00 0.00 H new ATOM 0 HA LEU A 45 -27.568 -1.861 -9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -25.414 -3.666 -8.483 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -25.027 -2.076 -9.110 1.00 0.00 H new ATOM 0 HG LEU A 45 -27.158 -2.360 -7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -25.437 -2.098 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -25.255 -3.633 -6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.167 -2.270 -6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -26.360 -0.110 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.127 -0.204 -7.675 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -26.854 -0.193 -8.104 1.00 0.00 H new ATOM 699 N SER A 46 -25.699 -1.943 -11.524 1.00 0.00 N ATOM 700 CA SER A 46 -25.125 -1.977 -12.864 1.00 0.00 C ATOM 701 C SER A 46 -23.619 -2.217 -12.804 1.00 0.00 C ATOM 702 O SER A 46 -23.030 -2.269 -11.724 1.00 0.00 O ATOM 703 CB SER A 46 -25.416 -0.668 -13.600 1.00 0.00 C ATOM 704 OG SER A 46 -25.013 -0.746 -14.957 1.00 0.00 O ATOM 0 H SER A 46 -25.484 -1.098 -10.995 1.00 0.00 H new ATOM 0 HA SER A 46 -25.585 -2.801 -13.409 1.00 0.00 H new ATOM 0 HB2 SER A 46 -26.482 -0.446 -13.546 1.00 0.00 H new ATOM 0 HB3 SER A 46 -24.894 0.153 -13.109 1.00 0.00 H new ATOM 0 HG SER A 46 -25.211 0.102 -15.406 1.00 0.00 H new ATOM 710 N LEU A 47 -23.003 -2.361 -13.972 1.00 0.00 N ATOM 711 CA LEU A 47 -21.565 -2.595 -14.054 1.00 0.00 C ATOM 712 C LEU A 47 -20.788 -1.411 -13.488 1.00 0.00 C ATOM 713 O LEU A 47 -19.683 -1.573 -12.968 1.00 0.00 O ATOM 714 CB LEU A 47 -21.152 -2.843 -15.506 1.00 0.00 C ATOM 715 CG LEU A 47 -21.378 -4.260 -16.035 1.00 0.00 C ATOM 716 CD1 LEU A 47 -20.611 -5.271 -15.199 1.00 0.00 C ATOM 717 CD2 LEU A 47 -22.863 -4.593 -16.049 1.00 0.00 C ATOM 0 H LEU A 47 -23.476 -2.320 -14.875 1.00 0.00 H new ATOM 0 HA LEU A 47 -21.330 -3.478 -13.459 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -21.699 -2.147 -16.142 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -20.094 -2.603 -15.608 1.00 0.00 H new ATOM 0 HG LEU A 47 -21.005 -4.309 -17.058 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -20.784 -6.273 -15.591 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -19.546 -5.044 -15.241 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -20.952 -5.222 -14.165 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -23.005 -5.605 -16.428 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -23.261 -4.526 -15.036 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -23.388 -3.887 -16.693 1.00 0.00 H new ATOM 729 N ILE A 48 -21.373 -0.222 -13.589 1.00 0.00 N ATOM 730 CA ILE A 48 -20.736 0.987 -13.084 1.00 0.00 C ATOM 731 C ILE A 48 -20.963 1.143 -11.584 1.00 0.00 C ATOM 732 O ILE A 48 -20.057 1.525 -10.845 1.00 0.00 O ATOM 733 CB ILE A 48 -21.261 2.243 -13.804 1.00 0.00 C ATOM 734 CG1 ILE A 48 -21.163 2.067 -15.321 1.00 0.00 C ATOM 735 CG2 ILE A 48 -20.486 3.473 -13.357 1.00 0.00 C ATOM 736 CD1 ILE A 48 -19.757 1.798 -15.808 1.00 0.00 C ATOM 0 H ILE A 48 -22.287 -0.071 -14.016 1.00 0.00 H new ATOM 0 HA ILE A 48 -19.668 0.886 -13.279 1.00 0.00 H new ATOM 0 HB ILE A 48 -22.309 2.383 -13.540 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -21.808 1.243 -15.626 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -21.542 2.965 -15.808 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -20.869 4.352 -13.875 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -20.603 3.606 -12.281 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.430 3.344 -13.594 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.763 1.684 -16.892 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -19.111 2.632 -15.534 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -19.382 0.883 -15.349 1.00 0.00 H new ATOM 748 N ASN A 49 -22.179 0.841 -11.141 1.00 0.00 N ATOM 749 CA ASN A 49 -22.526 0.946 -9.728 1.00 0.00 C ATOM 750 C ASN A 49 -21.737 -0.062 -8.898 1.00 0.00 C ATOM 751 O ASN A 49 -21.397 0.201 -7.745 1.00 0.00 O ATOM 752 CB ASN A 49 -24.027 0.721 -9.532 1.00 0.00 C ATOM 753 CG ASN A 49 -24.866 1.606 -10.432 1.00 0.00 C ATOM 754 OD1 ASN A 49 -24.402 2.640 -10.913 1.00 0.00 O ATOM 755 ND2 ASN A 49 -26.110 1.203 -10.665 1.00 0.00 N ATOM 0 H ASN A 49 -22.941 0.522 -11.740 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.268 1.950 -9.390 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -24.264 -0.324 -9.731 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -24.288 0.914 -8.491 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -26.722 1.758 -11.264 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -26.453 0.339 -10.245 1.00 0.00 H new ATOM 762 N GLN A 50 -21.448 -1.214 -9.494 1.00 0.00 N ATOM 763 CA GLN A 50 -20.699 -2.261 -8.810 1.00 0.00 C ATOM 764 C GLN A 50 -19.211 -1.929 -8.771 1.00 0.00 C ATOM 765 O GLN A 50 -18.517 -2.252 -7.806 1.00 0.00 O ATOM 766 CB GLN A 50 -20.915 -3.608 -9.502 1.00 0.00 C ATOM 767 CG GLN A 50 -22.269 -4.233 -9.208 1.00 0.00 C ATOM 768 CD GLN A 50 -22.886 -4.889 -10.427 1.00 0.00 C ATOM 769 OE1 GLN A 50 -22.235 -5.041 -11.461 1.00 0.00 O ATOM 770 NE2 GLN A 50 -24.150 -5.282 -10.313 1.00 0.00 N ATOM 0 H GLN A 50 -21.721 -1.446 -10.449 1.00 0.00 H new ATOM 0 HA GLN A 50 -21.066 -2.324 -7.785 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -20.812 -3.474 -10.579 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -20.130 -4.297 -9.190 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -22.158 -4.975 -8.418 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -22.945 -3.465 -8.832 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -24.652 -5.136 -9.437 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -24.618 -5.729 -11.101 1.00 0.00 H new ATOM 779 N HIS A 51 -18.726 -1.282 -9.826 1.00 0.00 N ATOM 780 CA HIS A 51 -17.320 -0.906 -9.912 1.00 0.00 C ATOM 781 C HIS A 51 -17.047 0.364 -9.112 1.00 0.00 C ATOM 782 O HIS A 51 -15.947 0.562 -8.597 1.00 0.00 O ATOM 783 CB HIS A 51 -16.914 -0.700 -11.372 1.00 0.00 C ATOM 784 CG HIS A 51 -15.466 -0.979 -11.636 1.00 0.00 C ATOM 785 ND1 HIS A 51 -15.014 -2.165 -12.173 1.00 0.00 N ATOM 786 CD2 HIS A 51 -14.367 -0.215 -11.435 1.00 0.00 C ATOM 787 CE1 HIS A 51 -13.699 -2.120 -12.290 1.00 0.00 C ATOM 788 NE2 HIS A 51 -13.281 -0.947 -11.849 1.00 0.00 N ATOM 0 H HIS A 51 -19.286 -1.007 -10.633 1.00 0.00 H new ATOM 0 HA HIS A 51 -16.726 -1.716 -9.488 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -17.521 -1.347 -12.004 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -17.136 0.327 -11.661 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -14.348 0.784 -11.025 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -13.072 -2.908 -12.680 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.310 -0.636 -11.821 1.00 0.00 H new ATOM 796 N LYS A 52 -18.056 1.223 -9.012 1.00 0.00 N ATOM 797 CA LYS A 52 -17.927 2.474 -8.275 1.00 0.00 C ATOM 798 C LYS A 52 -18.097 2.242 -6.777 1.00 0.00 C ATOM 799 O LYS A 52 -17.515 2.956 -5.958 1.00 0.00 O ATOM 800 CB LYS A 52 -18.962 3.488 -8.765 1.00 0.00 C ATOM 801 CG LYS A 52 -20.311 3.361 -8.079 1.00 0.00 C ATOM 802 CD LYS A 52 -21.358 4.244 -8.738 1.00 0.00 C ATOM 803 CE LYS A 52 -20.922 5.701 -8.764 1.00 0.00 C ATOM 804 NZ LYS A 52 -21.970 6.604 -8.214 1.00 0.00 N ATOM 0 H LYS A 52 -18.973 1.075 -9.433 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.927 2.870 -8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -18.576 4.495 -8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -19.097 3.366 -9.840 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -20.639 2.322 -8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -20.213 3.634 -7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.538 3.899 -9.756 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -22.302 4.155 -8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -20.005 5.816 -8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -20.692 5.993 -9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -21.634 7.588 -8.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -22.838 6.514 -8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -22.171 6.342 -7.228 1.00 0.00 H new ATOM 818 N LEU A 53 -18.895 1.241 -6.424 1.00 0.00 N ATOM 819 CA LEU A 53 -19.140 0.914 -5.024 1.00 0.00 C ATOM 820 C LEU A 53 -17.850 0.489 -4.330 1.00 0.00 C ATOM 821 O LEU A 53 -17.477 1.043 -3.296 1.00 0.00 O ATOM 822 CB LEU A 53 -20.183 -0.200 -4.914 1.00 0.00 C ATOM 823 CG LEU A 53 -21.637 0.253 -4.781 1.00 0.00 C ATOM 824 CD1 LEU A 53 -22.578 -0.938 -4.882 1.00 0.00 C ATOM 825 CD2 LEU A 53 -21.847 0.991 -3.467 1.00 0.00 C ATOM 0 H LEU A 53 -19.384 0.641 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 53 -19.519 1.808 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -20.101 -0.836 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -19.936 -0.818 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 53 -21.861 0.938 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -23.609 -0.597 -4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -22.446 -1.425 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -22.354 -1.647 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -22.887 1.306 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -21.605 0.329 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -21.199 1.867 -3.434 1.00 0.00 H new ATOM 837 N VAL A 54 -17.171 -0.498 -4.907 1.00 0.00 N ATOM 838 CA VAL A 54 -15.921 -0.995 -4.347 1.00 0.00 C ATOM 839 C VAL A 54 -14.949 0.147 -4.071 1.00 0.00 C ATOM 840 O VAL A 54 -14.214 0.127 -3.084 1.00 0.00 O ATOM 841 CB VAL A 54 -15.248 -2.011 -5.290 1.00 0.00 C ATOM 842 CG1 VAL A 54 -16.045 -3.306 -5.336 1.00 0.00 C ATOM 843 CG2 VAL A 54 -15.092 -1.421 -6.683 1.00 0.00 C ATOM 0 H VAL A 54 -17.466 -0.969 -5.762 1.00 0.00 H new ATOM 0 HA VAL A 54 -16.170 -1.491 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.255 -2.238 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.555 -4.011 -6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -16.100 -3.735 -4.336 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -17.052 -3.101 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -14.615 -2.152 -7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.074 -1.164 -7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.475 -0.524 -6.631 1.00 0.00 H new ATOM 853 N LYS A 55 -14.950 1.143 -4.951 1.00 0.00 N ATOM 854 CA LYS A 55 -14.071 2.296 -4.803 1.00 0.00 C ATOM 855 C LYS A 55 -14.555 3.210 -3.682 1.00 0.00 C ATOM 856 O LYS A 55 -13.754 3.821 -2.977 1.00 0.00 O ATOM 857 CB LYS A 55 -13.996 3.078 -6.116 1.00 0.00 C ATOM 858 CG LYS A 55 -13.464 2.261 -7.281 1.00 0.00 C ATOM 859 CD LYS A 55 -11.951 2.130 -7.226 1.00 0.00 C ATOM 860 CE LYS A 55 -11.526 0.902 -6.436 1.00 0.00 C ATOM 861 NZ LYS A 55 -10.238 0.342 -6.931 1.00 0.00 N ATOM 0 H LYS A 55 -15.551 1.174 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 55 -13.076 1.932 -4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.990 3.448 -6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.358 3.950 -5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.917 1.269 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.755 2.732 -8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.553 2.068 -8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.524 3.023 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.427 1.164 -5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.303 0.140 -6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.983 -0.494 -6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.339 0.068 -7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.491 1.060 -6.843 1.00 0.00 H new ATOM 875 N ASN A 56 -15.872 3.297 -3.524 1.00 0.00 N ATOM 876 CA ASN A 56 -16.463 4.136 -2.487 1.00 0.00 C ATOM 877 C ASN A 56 -16.152 3.586 -1.099 1.00 0.00 C ATOM 878 O ASN A 56 -15.779 4.332 -0.194 1.00 0.00 O ATOM 879 CB ASN A 56 -17.978 4.232 -2.682 1.00 0.00 C ATOM 880 CG ASN A 56 -18.351 4.806 -4.035 1.00 0.00 C ATOM 881 OD1 ASN A 56 -17.654 5.667 -4.571 1.00 0.00 O ATOM 882 ND2 ASN A 56 -19.458 4.330 -4.595 1.00 0.00 N ATOM 0 H ASN A 56 -16.550 2.798 -4.100 1.00 0.00 H new ATOM 0 HA ASN A 56 -16.028 5.132 -2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -18.419 3.241 -2.577 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -18.404 4.855 -1.896 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -19.760 4.679 -5.505 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -20.006 3.616 -4.115 1.00 0.00 H new ATOM 889 N ALA A 57 -16.307 2.276 -0.939 1.00 0.00 N ATOM 890 CA ALA A 57 -16.039 1.625 0.338 1.00 0.00 C ATOM 891 C ALA A 57 -14.604 1.871 0.789 1.00 0.00 C ATOM 892 O ALA A 57 -14.285 1.751 1.973 1.00 0.00 O ATOM 893 CB ALA A 57 -16.315 0.132 0.237 1.00 0.00 C ATOM 0 H ALA A 57 -16.617 1.644 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.705 2.057 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -16.111 -0.342 1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.359 -0.028 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.673 -0.306 -0.527 1.00 0.00 H new ATOM 899 N LEU A 58 -13.741 2.214 -0.160 1.00 0.00 N ATOM 900 CA LEU A 58 -12.337 2.476 0.140 1.00 0.00 C ATOM 901 C LEU A 58 -11.972 3.921 -0.183 1.00 0.00 C ATOM 902 O LEU A 58 -10.802 4.246 -0.384 1.00 0.00 O ATOM 903 CB LEU A 58 -11.440 1.522 -0.650 1.00 0.00 C ATOM 904 CG LEU A 58 -11.657 1.495 -2.163 1.00 0.00 C ATOM 905 CD1 LEU A 58 -10.816 2.564 -2.843 1.00 0.00 C ATOM 906 CD2 LEU A 58 -11.329 0.119 -2.724 1.00 0.00 C ATOM 0 H LEU A 58 -13.988 2.317 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.182 2.311 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.401 1.789 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.587 0.513 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.707 1.707 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.984 2.529 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.099 3.546 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.761 2.385 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.489 0.118 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.287 -0.122 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.975 -0.626 -2.261 1.00 0.00 H new ATOM 918 N SER A 59 -12.981 4.785 -0.229 1.00 0.00 N ATOM 919 CA SER A 59 -12.767 6.196 -0.529 1.00 0.00 C ATOM 920 C SER A 59 -12.526 6.993 0.749 1.00 0.00 C ATOM 921 O SER A 59 -11.501 7.657 0.895 1.00 0.00 O ATOM 922 CB SER A 59 -13.970 6.768 -1.282 1.00 0.00 C ATOM 923 OG SER A 59 -13.944 6.390 -2.647 1.00 0.00 O ATOM 0 H SER A 59 -13.955 4.533 -0.062 1.00 0.00 H new ATOM 0 HA SER A 59 -11.881 6.277 -1.159 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.893 6.415 -0.821 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.969 7.855 -1.202 1.00 0.00 H new ATOM 0 HG SER A 59 -13.649 5.458 -2.723 1.00 0.00 H new ATOM 929 N GLU A 60 -13.481 6.921 1.672 1.00 0.00 N ATOM 930 CA GLU A 60 -13.374 7.636 2.938 1.00 0.00 C ATOM 931 C GLU A 60 -12.259 7.051 3.801 1.00 0.00 C ATOM 932 O GLU A 60 -11.478 7.786 4.406 1.00 0.00 O ATOM 933 CB GLU A 60 -14.702 7.580 3.695 1.00 0.00 C ATOM 934 CG GLU A 60 -15.205 6.167 3.938 1.00 0.00 C ATOM 935 CD GLU A 60 -16.719 6.076 3.922 1.00 0.00 C ATOM 936 OE1 GLU A 60 -17.377 7.138 3.928 1.00 0.00 O ATOM 937 OE2 GLU A 60 -17.246 4.944 3.904 1.00 0.00 O ATOM 0 H GLU A 60 -14.336 6.375 1.566 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.133 8.676 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.586 8.085 4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.455 8.133 3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.797 5.504 3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.834 5.813 4.900 1.00 0.00 H new ATOM 944 N ILE A 61 -12.193 5.725 3.852 1.00 0.00 N ATOM 945 CA ILE A 61 -11.175 5.041 4.640 1.00 0.00 C ATOM 946 C ILE A 61 -9.799 5.177 3.996 1.00 0.00 C ATOM 947 O ILE A 61 -8.823 5.530 4.659 1.00 0.00 O ATOM 948 CB ILE A 61 -11.504 3.547 4.810 1.00 0.00 C ATOM 949 CG1 ILE A 61 -12.873 3.376 5.473 1.00 0.00 C ATOM 950 CG2 ILE A 61 -10.424 2.856 5.628 1.00 0.00 C ATOM 951 CD1 ILE A 61 -13.997 3.147 4.488 1.00 0.00 C ATOM 0 H ILE A 61 -12.832 5.103 3.357 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.164 5.516 5.621 1.00 0.00 H new ATOM 0 HB ILE A 61 -11.538 3.083 3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.830 2.535 6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -13.095 4.264 6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -10.671 1.800 5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.465 2.952 5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -10.361 3.319 6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.937 3.034 5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -14.067 3.999 3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -13.798 2.242 3.913 1.00 0.00 H new ATOM 963 N LEU A 62 -9.728 4.895 2.700 1.00 0.00 N ATOM 964 CA LEU A 62 -8.472 4.987 1.964 1.00 0.00 C ATOM 965 C LEU A 62 -7.456 3.979 2.493 1.00 0.00 C ATOM 966 O LEU A 62 -6.278 4.295 2.650 1.00 0.00 O ATOM 967 CB LEU A 62 -7.901 6.403 2.065 1.00 0.00 C ATOM 968 CG LEU A 62 -7.283 6.970 0.787 1.00 0.00 C ATOM 969 CD1 LEU A 62 -6.329 5.964 0.163 1.00 0.00 C ATOM 970 CD2 LEU A 62 -8.371 7.362 -0.203 1.00 0.00 C ATOM 0 H LEU A 62 -10.526 4.601 2.137 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.675 4.757 0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.698 7.073 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.142 6.412 2.847 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.716 7.864 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.899 6.385 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.531 5.733 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.872 5.051 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.913 7.764 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.965 6.484 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.015 8.119 0.245 1.00 0.00 H new ATOM 982 N ASN A 63 -7.922 2.764 2.763 1.00 0.00 N ATOM 983 CA ASN A 63 -7.054 1.708 3.272 1.00 0.00 C ATOM 984 C ASN A 63 -5.812 1.557 2.399 1.00 0.00 C ATOM 985 O ASN A 63 -4.686 1.560 2.896 1.00 0.00 O ATOM 986 CB ASN A 63 -7.813 0.381 3.334 1.00 0.00 C ATOM 987 CG ASN A 63 -8.158 -0.022 4.754 1.00 0.00 C ATOM 988 OD1 ASN A 63 -7.363 0.166 5.675 1.00 0.00 O ATOM 989 ND2 ASN A 63 -9.348 -0.580 4.938 1.00 0.00 N ATOM 0 H ASN A 63 -8.895 2.486 2.638 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.738 1.985 4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.729 0.462 2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.210 -0.401 2.874 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.635 -0.872 5.872 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.975 -0.717 4.145 1.00 0.00 H new ATOM 996 N LYS A 64 -6.026 1.425 1.094 1.00 0.00 N ATOM 997 CA LYS A 64 -4.925 1.274 0.150 1.00 0.00 C ATOM 998 C LYS A 64 -4.762 2.529 -0.701 1.00 0.00 C ATOM 999 O LYS A 64 -5.724 3.262 -0.936 1.00 0.00 O ATOM 1000 CB LYS A 64 -5.163 0.061 -0.753 1.00 0.00 C ATOM 1001 CG LYS A 64 -3.946 -0.338 -1.569 1.00 0.00 C ATOM 1002 CD LYS A 64 -2.819 -0.839 -0.682 1.00 0.00 C ATOM 1003 CE LYS A 64 -3.218 -2.100 0.068 1.00 0.00 C ATOM 1004 NZ LYS A 64 -2.031 -2.854 0.557 1.00 0.00 N ATOM 0 H LYS A 64 -6.952 1.420 0.666 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.009 1.121 0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.471 -0.785 -0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.989 0.279 -1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.223 -1.116 -2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.600 0.517 -2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.938 -1.040 -1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.543 -0.062 0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.853 -1.834 0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.810 -2.740 -0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.346 -3.707 1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.438 -3.130 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.479 -2.253 1.202 1.00 0.00 H new ATOM 1018 N LYS A 65 -3.540 2.771 -1.162 1.00 0.00 N ATOM 1019 CA LYS A 65 -3.251 3.936 -1.990 1.00 0.00 C ATOM 1020 C LYS A 65 -2.526 3.529 -3.269 1.00 0.00 C ATOM 1021 O LYS A 65 -1.703 2.613 -3.263 1.00 0.00 O ATOM 1022 CB LYS A 65 -2.404 4.944 -1.210 1.00 0.00 C ATOM 1023 CG LYS A 65 -3.045 5.401 0.089 1.00 0.00 C ATOM 1024 CD LYS A 65 -2.000 5.721 1.145 1.00 0.00 C ATOM 1025 CE LYS A 65 -1.372 7.087 0.912 1.00 0.00 C ATOM 1026 NZ LYS A 65 -0.368 7.056 -0.188 1.00 0.00 N ATOM 0 H LYS A 65 -2.733 2.175 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.199 4.400 -2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.434 4.498 -0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.218 5.814 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.657 6.283 -0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.712 4.623 0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.460 5.694 2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.224 4.956 1.134 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.152 7.809 0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.894 7.428 1.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.393 7.735 0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.033 6.100 -0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.828 7.312 -1.085 1.00 0.00 H new ATOM 1040 N LEU A 66 -2.835 4.216 -4.363 1.00 0.00 N ATOM 1041 CA LEU A 66 -2.212 3.927 -5.650 1.00 0.00 C ATOM 1042 C LEU A 66 -2.319 2.442 -5.985 1.00 0.00 C ATOM 1043 O LEU A 66 -1.315 1.731 -6.027 1.00 0.00 O ATOM 1044 CB LEU A 66 -0.743 4.353 -5.634 1.00 0.00 C ATOM 1045 CG LEU A 66 -0.470 5.831 -5.914 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -0.997 6.221 -7.286 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -1.095 6.703 -4.834 1.00 0.00 C ATOM 0 H LEU A 66 -3.513 4.977 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.740 4.493 -6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.324 4.105 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.205 3.758 -6.372 1.00 0.00 H new ATOM 0 HG LEU A 66 0.608 5.989 -5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.794 7.276 -7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.504 5.620 -8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.072 6.047 -7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.891 7.752 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.173 6.540 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.670 6.442 -3.865 1.00 0.00 H new ATOM 1059 N HIS A 67 -3.542 1.982 -6.225 1.00 0.00 N ATOM 1060 CA HIS A 67 -3.780 0.582 -6.561 1.00 0.00 C ATOM 1061 C HIS A 67 -4.844 0.457 -7.647 1.00 0.00 C ATOM 1062 O HIS A 67 -6.004 0.812 -7.437 1.00 0.00 O ATOM 1063 CB HIS A 67 -4.211 -0.196 -5.317 1.00 0.00 C ATOM 1064 CG HIS A 67 -5.409 0.385 -4.632 1.00 0.00 C ATOM 1065 ND1 HIS A 67 -5.377 1.578 -3.941 1.00 0.00 N ATOM 1066 CD2 HIS A 67 -6.681 -0.069 -4.536 1.00 0.00 C ATOM 1067 CE1 HIS A 67 -6.576 1.831 -3.448 1.00 0.00 C ATOM 1068 NE2 HIS A 67 -7.386 0.847 -3.795 1.00 0.00 N ATOM 0 H HIS A 67 -4.384 2.557 -6.193 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.849 0.161 -6.940 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.429 -1.226 -5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.380 -0.228 -4.613 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.069 -0.982 -4.963 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.848 2.696 -2.861 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -8.374 0.779 -3.552 1.00 0.00 H new ATOM 1076 N SER A 68 -4.441 -0.049 -8.808 1.00 0.00 N ATOM 1077 CA SER A 68 -5.359 -0.216 -9.929 1.00 0.00 C ATOM 1078 C SER A 68 -5.440 -1.680 -10.351 1.00 0.00 C ATOM 1079 O SER A 68 -4.437 -2.283 -10.734 1.00 0.00 O ATOM 1080 CB SER A 68 -4.914 0.644 -11.113 1.00 0.00 C ATOM 1081 OG SER A 68 -5.545 0.228 -12.311 1.00 0.00 O ATOM 0 H SER A 68 -3.485 -0.350 -8.997 1.00 0.00 H new ATOM 0 HA SER A 68 -6.349 0.107 -9.607 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.152 1.689 -10.917 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.832 0.580 -11.227 1.00 0.00 H new ATOM 0 HG SER A 68 -5.245 0.794 -13.052 1.00 0.00 H new ATOM 1087 N ILE A 69 -6.640 -2.245 -10.277 1.00 0.00 N ATOM 1088 CA ILE A 69 -6.853 -3.637 -10.652 1.00 0.00 C ATOM 1089 C ILE A 69 -8.276 -3.860 -11.154 1.00 0.00 C ATOM 1090 O ILE A 69 -9.132 -2.984 -11.034 1.00 0.00 O ATOM 1091 CB ILE A 69 -6.583 -4.586 -9.470 1.00 0.00 C ATOM 1092 CG1 ILE A 69 -7.403 -4.162 -8.249 1.00 0.00 C ATOM 1093 CG2 ILE A 69 -5.099 -4.608 -9.136 1.00 0.00 C ATOM 1094 CD1 ILE A 69 -7.348 -5.154 -7.109 1.00 0.00 C ATOM 0 H ILE A 69 -7.480 -1.760 -9.961 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.149 -3.859 -11.454 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.886 -5.593 -9.756 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.042 -3.196 -7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.442 -4.024 -8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.925 -5.283 -8.298 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.536 -4.953 -10.003 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.772 -3.604 -8.867 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.952 -4.788 -6.279 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.737 -6.115 -7.444 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.315 -5.275 -6.781 1.00 0.00 H new ATOM 1106 N SER A 70 -8.521 -5.040 -11.715 1.00 0.00 N ATOM 1107 CA SER A 70 -9.840 -5.378 -12.237 1.00 0.00 C ATOM 1108 C SER A 70 -10.775 -5.810 -11.112 1.00 0.00 C ATOM 1109 O SER A 70 -10.361 -6.491 -10.173 1.00 0.00 O ATOM 1110 CB SER A 70 -9.729 -6.493 -13.280 1.00 0.00 C ATOM 1111 OG SER A 70 -10.952 -7.195 -13.408 1.00 0.00 O ATOM 0 H SER A 70 -7.824 -5.777 -11.820 1.00 0.00 H new ATOM 0 HA SER A 70 -10.255 -4.488 -12.710 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.448 -6.067 -14.243 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.937 -7.185 -12.994 1.00 0.00 H new ATOM 0 HG SER A 70 -10.855 -7.901 -14.081 1.00 0.00 H new ATOM 1117 N ILE A 71 -12.038 -5.410 -11.215 1.00 0.00 N ATOM 1118 CA ILE A 71 -13.033 -5.756 -10.207 1.00 0.00 C ATOM 1119 C ILE A 71 -14.177 -6.558 -10.817 1.00 0.00 C ATOM 1120 O ILE A 71 -15.000 -6.022 -11.560 1.00 0.00 O ATOM 1121 CB ILE A 71 -13.607 -4.498 -9.528 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -12.488 -3.696 -8.862 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -14.669 -4.885 -8.509 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -12.628 -2.200 -9.041 1.00 0.00 C ATOM 0 H ILE A 71 -12.396 -4.846 -11.986 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.526 -6.364 -9.458 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.073 -3.872 -10.289 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.471 -3.926 -7.797 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.530 -4.015 -9.272 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -15.065 -3.986 -8.037 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -15.477 -5.418 -9.010 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -14.226 -5.528 -7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.800 -1.695 -8.543 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.614 -1.958 -10.104 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.570 -1.868 -8.605 1.00 0.00 H new ATOM 1136 N LYS A 72 -14.225 -7.847 -10.497 1.00 0.00 N ATOM 1137 CA LYS A 72 -15.270 -8.725 -11.010 1.00 0.00 C ATOM 1138 C LYS A 72 -16.511 -8.669 -10.125 1.00 0.00 C ATOM 1139 O LYS A 72 -16.414 -8.718 -8.898 1.00 0.00 O ATOM 1140 CB LYS A 72 -14.758 -10.164 -11.098 1.00 0.00 C ATOM 1141 CG LYS A 72 -15.784 -11.142 -11.644 1.00 0.00 C ATOM 1142 CD LYS A 72 -15.381 -12.582 -11.373 1.00 0.00 C ATOM 1143 CE LYS A 72 -15.794 -13.501 -12.512 1.00 0.00 C ATOM 1144 NZ LYS A 72 -14.723 -13.627 -13.540 1.00 0.00 N ATOM 0 H LYS A 72 -13.552 -8.307 -9.884 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.541 -8.381 -12.008 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.872 -10.187 -11.733 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.448 -10.492 -10.106 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.755 -10.943 -11.190 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.897 -10.991 -12.718 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.302 -12.638 -11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.842 -12.921 -10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.033 -14.487 -12.114 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.701 -13.117 -12.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.043 -14.262 -14.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.512 -12.690 -13.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.865 -14.018 -13.101 1.00 0.00 H new ATOM 1158 N THR A 73 -17.678 -8.568 -10.754 1.00 0.00 N ATOM 1159 CA THR A 73 -18.937 -8.506 -10.024 1.00 0.00 C ATOM 1160 C THR A 73 -19.585 -9.883 -9.926 1.00 0.00 C ATOM 1161 O THR A 73 -19.831 -10.536 -10.940 1.00 0.00 O ATOM 1162 CB THR A 73 -19.927 -7.532 -10.691 1.00 0.00 C ATOM 1163 OG1 THR A 73 -20.445 -8.109 -11.895 1.00 0.00 O ATOM 1164 CG2 THR A 73 -19.251 -6.207 -11.008 1.00 0.00 C ATOM 0 H THR A 73 -17.777 -8.527 -11.768 1.00 0.00 H new ATOM 0 HA THR A 73 -18.703 -8.145 -9.022 1.00 0.00 H new ATOM 0 HB THR A 73 -20.746 -7.347 -9.996 1.00 0.00 H new ATOM 0 HG1 THR A 73 -20.200 -9.057 -11.935 1.00 0.00 H new ATOM 0 HG21 THR A 73 -19.969 -5.535 -11.478 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.883 -5.757 -10.086 1.00 0.00 H new ATOM 0 HG23 THR A 73 -18.416 -6.378 -11.687 1.00 0.00 H new ATOM 1172 N ILE A 74 -19.858 -10.317 -8.701 1.00 0.00 N ATOM 1173 CA ILE A 74 -20.479 -11.616 -8.472 1.00 0.00 C ATOM 1174 C ILE A 74 -21.656 -11.501 -7.509 1.00 0.00 C ATOM 1175 O ILE A 74 -21.523 -10.957 -6.413 1.00 0.00 O ATOM 1176 CB ILE A 74 -19.468 -12.633 -7.910 1.00 0.00 C ATOM 1177 CG1 ILE A 74 -18.216 -12.678 -8.789 1.00 0.00 C ATOM 1178 CG2 ILE A 74 -20.102 -14.012 -7.811 1.00 0.00 C ATOM 1179 CD1 ILE A 74 -17.125 -11.732 -8.336 1.00 0.00 C ATOM 0 H ILE A 74 -19.659 -9.789 -7.851 1.00 0.00 H new ATOM 0 HA ILE A 74 -20.837 -11.969 -9.439 1.00 0.00 H new ATOM 0 HB ILE A 74 -19.176 -12.317 -6.909 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.824 -13.695 -8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -18.493 -12.435 -9.815 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.375 -14.719 -7.412 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -20.966 -13.968 -7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -20.420 -14.338 -8.801 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.269 -11.817 -9.005 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.500 -10.709 -8.355 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.820 -11.988 -7.321 1.00 0.00 H new ATOM 1191 N SER A 75 -22.807 -12.020 -7.925 1.00 0.00 N ATOM 1192 CA SER A 75 -24.008 -11.974 -7.100 1.00 0.00 C ATOM 1193 C SER A 75 -24.484 -13.382 -6.755 1.00 0.00 C ATOM 1194 O SER A 75 -24.295 -14.320 -7.530 1.00 0.00 O ATOM 1195 CB SER A 75 -25.120 -11.210 -7.823 1.00 0.00 C ATOM 1196 OG SER A 75 -25.419 -11.807 -9.073 1.00 0.00 O ATOM 0 H SER A 75 -22.933 -12.477 -8.828 1.00 0.00 H new ATOM 0 HA SER A 75 -23.763 -11.455 -6.173 1.00 0.00 H new ATOM 0 HB2 SER A 75 -26.016 -11.191 -7.202 1.00 0.00 H new ATOM 0 HB3 SER A 75 -24.815 -10.175 -7.975 1.00 0.00 H new ATOM 0 HG SER A 75 -26.133 -11.302 -9.514 1.00 0.00 H new