USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 839 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 Single : X 1 MET CE :methyl 155:sc= -0.184 (180deg=-1.2) USER MOD Single : X 1 MET N :NH3+ -177:sc= -0.54 (180deg=-0.553) USER MOD Single : X 3 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : X 6 SER OG : rot 180:sc= -0.33 USER MOD Single : X 7 GLN : amide:sc=-0.00969 K(o=-0.0097,f=-1.6!) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=-0.31) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc=-0.00148 K(o=-0.0015,f=-1.9!) USER MOD Single : X 16 LYS NZ :NH3+ -129:sc= 0 (180deg=-1.14) USER MOD Single : X 17 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.36) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -16:sc= 0.769 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= -0.433 USER MOD Single : X 33 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.158) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot -87:sc= 0.62 USER MOD Single : X 42 CYS SG : rot 95:sc= -5.62! USER MOD Single : X 47 GLN : amide:sc= -0.289 K(o=-0.29,f=-1) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 85:sc= 0.328 USER MOD Single : X 64 GLN : amide:sc= -3.46! C(o=-3.5!,f=-3.1!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -2.72 X(o=-2.7,f=-2.4!) USER MOD Single : X 69 THR OG1 : rot 84:sc= 1.25 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= -0.0555 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 130:sc= -3.26! USER MOD Single : X 84 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : X 87 LYS NZ :NH3+ 171:sc= 0.49 (180deg=0.467) USER MOD Single : X 92 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.424) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 ASN :FLIP amide:sc= 1.15 F(o=-0.18,f=1.1) USER MOD Single : X 98 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 100 MET CE :methyl -155:sc= -0.0984 (180deg=-0.836) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 61.602 -8.607 -13.259 1.00 1.00 N ATOM 2 CA MET X 1 62.761 -8.764 -12.333 1.00 1.00 C ATOM 3 C MET X 1 63.481 -7.428 -12.191 1.00 1.00 C ATOM 4 O MET X 1 64.570 -7.356 -11.620 1.00 1.00 O ATOM 5 CB MET X 1 63.718 -9.818 -12.892 1.00 1.00 C ATOM 6 CG MET X 1 63.080 -11.204 -12.767 1.00 1.00 C ATOM 7 SD MET X 1 64.153 -12.437 -13.547 1.00 1.00 S ATOM 8 CE MET X 1 65.552 -12.289 -12.407 1.00 1.00 C ATOM 0 H1 MET X 1 61.080 -9.505 -13.317 1.00 1.00 H new ATOM 0 H2 MET X 1 60.971 -7.862 -12.902 1.00 1.00 H new ATOM 0 H3 MET X 1 61.946 -8.345 -14.205 1.00 1.00 H new ATOM 0 HA MET X 1 62.409 -9.085 -11.353 1.00 1.00 H new ATOM 0 HB2 MET X 1 63.943 -9.603 -13.936 1.00 1.00 H new ATOM 0 HB3 MET X 1 64.663 -9.791 -12.350 1.00 1.00 H new ATOM 0 HG2 MET X 1 62.927 -11.452 -11.717 1.00 1.00 H new ATOM 0 HG3 MET X 1 62.099 -11.208 -13.242 1.00 1.00 H new ATOM 0 HE1 MET X 1 66.122 -13.218 -12.408 1.00 1.00 H new ATOM 0 HE2 MET X 1 66.195 -11.468 -12.725 1.00 1.00 H new ATOM 0 HE3 MET X 1 65.182 -12.092 -11.401 1.00 1.00 H new ATOM 20 N GLY X 2 62.864 -6.370 -12.708 1.00 1.00 N ATOM 21 CA GLY X 2 63.456 -5.040 -12.629 1.00 1.00 C ATOM 22 C GLY X 2 63.572 -4.582 -11.179 1.00 1.00 C ATOM 23 O GLY X 2 64.527 -3.900 -10.808 1.00 1.00 O ATOM 0 H GLY X 2 61.962 -6.407 -13.182 1.00 1.00 H new ATOM 0 HA2 GLY X 2 64.443 -5.049 -13.092 1.00 1.00 H new ATOM 0 HA3 GLY X 2 62.846 -4.332 -13.191 1.00 1.00 H new ATOM 27 N GLN X 3 62.591 -4.961 -10.366 1.00 1.00 N ATOM 28 CA GLN X 3 62.588 -4.583 -8.957 1.00 1.00 C ATOM 29 C GLN X 3 63.013 -3.129 -8.794 1.00 1.00 C ATOM 30 O GLN X 3 62.325 -2.218 -9.254 1.00 1.00 O ATOM 31 CB GLN X 3 63.538 -5.486 -8.167 1.00 1.00 C ATOM 32 CG GLN X 3 62.991 -6.916 -8.156 1.00 1.00 C ATOM 33 CD GLN X 3 63.910 -7.822 -7.345 1.00 1.00 C ATOM 34 OE1 GLN X 3 64.241 -7.510 -6.201 1.00 1.00 O ATOM 35 NE2 GLN X 3 64.345 -8.934 -7.872 1.00 1.00 N ATOM 0 H GLN X 3 61.793 -5.526 -10.656 1.00 1.00 H new ATOM 0 HA GLN X 3 61.575 -4.701 -8.572 1.00 1.00 H new ATOM 0 HB2 GLN X 3 64.531 -5.468 -8.616 1.00 1.00 H new ATOM 0 HB3 GLN X 3 63.643 -5.117 -7.147 1.00 1.00 H new ATOM 0 HG2 GLN X 3 61.988 -6.927 -7.729 1.00 1.00 H new ATOM 0 HG3 GLN X 3 62.907 -7.290 -9.177 1.00 1.00 H new ATOM 0 HE21 GLN X 3 64.070 -9.191 -8.820 1.00 1.00 H new ATOM 0 HE22 GLN X 3 64.960 -9.546 -7.336 1.00 1.00 H new ATOM 44 N GLU X 4 64.154 -2.921 -8.141 1.00 1.00 N ATOM 45 CA GLU X 4 64.671 -1.575 -7.923 1.00 1.00 C ATOM 46 C GLU X 4 65.999 -1.394 -8.648 1.00 1.00 C ATOM 47 O GLU X 4 66.981 -2.064 -8.331 1.00 1.00 O ATOM 48 CB GLU X 4 64.873 -1.330 -6.427 1.00 1.00 C ATOM 49 CG GLU X 4 63.513 -1.299 -5.727 1.00 1.00 C ATOM 50 CD GLU X 4 63.702 -1.146 -4.221 1.00 1.00 C ATOM 51 OE1 GLU X 4 64.839 -1.020 -3.796 1.00 1.00 O ATOM 52 OE2 GLU X 4 62.707 -1.157 -3.516 1.00 1.00 O ATOM 0 H GLU X 4 64.735 -3.665 -7.755 1.00 1.00 H new ATOM 0 HA GLU X 4 63.949 -0.859 -8.316 1.00 1.00 H new ATOM 0 HB2 GLU X 4 65.496 -2.116 -6.000 1.00 1.00 H new ATOM 0 HB3 GLU X 4 65.397 -0.387 -6.269 1.00 1.00 H new ATOM 0 HG2 GLU X 4 62.916 -0.473 -6.112 1.00 1.00 H new ATOM 0 HG3 GLU X 4 62.964 -2.216 -5.941 1.00 1.00 H new ATOM 59 N LEU X 5 66.020 -0.484 -9.621 1.00 1.00 N ATOM 60 CA LEU X 5 67.235 -0.223 -10.387 1.00 1.00 C ATOM 61 C LEU X 5 67.709 1.209 -10.158 1.00 1.00 C ATOM 62 O LEU X 5 66.936 2.158 -10.285 1.00 1.00 O ATOM 63 CB LEU X 5 66.972 -0.448 -11.880 1.00 1.00 C ATOM 64 CG LEU X 5 68.289 -0.366 -12.661 1.00 1.00 C ATOM 65 CD1 LEU X 5 69.226 -1.500 -12.233 1.00 1.00 C ATOM 66 CD2 LEU X 5 68.001 -0.492 -14.159 1.00 1.00 C ATOM 0 H LEU X 5 65.216 0.080 -9.895 1.00 1.00 H new ATOM 0 HA LEU X 5 68.012 -0.910 -10.052 1.00 1.00 H new ATOM 0 HB2 LEU X 5 66.508 -1.422 -12.033 1.00 1.00 H new ATOM 0 HB3 LEU X 5 66.272 0.300 -12.251 1.00 1.00 H new ATOM 0 HG LEU X 5 68.765 0.592 -12.453 1.00 1.00 H new ATOM 0 HD11 LEU X 5 70.158 -1.433 -12.794 1.00 1.00 H new ATOM 0 HD12 LEU X 5 69.437 -1.415 -11.167 1.00 1.00 H new ATOM 0 HD13 LEU X 5 68.751 -2.460 -12.434 1.00 1.00 H new ATOM 0 HD21 LEU X 5 68.936 -0.434 -14.716 1.00 1.00 H new ATOM 0 HD22 LEU X 5 67.519 -1.449 -14.358 1.00 1.00 H new ATOM 0 HD23 LEU X 5 67.342 0.318 -14.472 1.00 1.00 H new ATOM 78 N SER X 6 68.985 1.355 -9.815 1.00 1.00 N ATOM 79 CA SER X 6 69.554 2.673 -9.566 1.00 1.00 C ATOM 80 C SER X 6 71.009 2.721 -10.025 1.00 1.00 C ATOM 81 O SER X 6 71.631 1.685 -10.256 1.00 1.00 O ATOM 82 CB SER X 6 69.477 3.004 -8.074 1.00 1.00 C ATOM 83 OG SER X 6 70.334 2.127 -7.354 1.00 1.00 O ATOM 0 H SER X 6 69.640 0.581 -9.704 1.00 1.00 H new ATOM 0 HA SER X 6 68.980 3.409 -10.130 1.00 1.00 H new ATOM 0 HB2 SER X 6 69.771 4.040 -7.904 1.00 1.00 H new ATOM 0 HB3 SER X 6 68.451 2.901 -7.719 1.00 1.00 H new ATOM 0 HG SER X 6 70.289 2.337 -6.398 1.00 1.00 H new ATOM 89 N GLN X 7 71.541 3.931 -10.155 1.00 1.00 N ATOM 90 CA GLN X 7 72.922 4.107 -10.589 1.00 1.00 C ATOM 91 C GLN X 7 73.885 3.500 -9.573 1.00 1.00 C ATOM 92 O GLN X 7 74.982 3.064 -9.926 1.00 1.00 O ATOM 93 CB GLN X 7 73.230 5.598 -10.760 1.00 1.00 C ATOM 94 CG GLN X 7 74.664 5.771 -11.267 1.00 1.00 C ATOM 95 CD GLN X 7 74.935 7.238 -11.585 1.00 1.00 C ATOM 96 OE1 GLN X 7 74.003 8.009 -11.814 1.00 1.00 O ATOM 97 NE2 GLN X 7 76.165 7.672 -11.605 1.00 1.00 N ATOM 0 H GLN X 7 71.041 4.800 -9.967 1.00 1.00 H new ATOM 0 HA GLN X 7 73.051 3.597 -11.544 1.00 1.00 H new ATOM 0 HB2 GLN X 7 72.528 6.046 -11.463 1.00 1.00 H new ATOM 0 HB3 GLN X 7 73.104 6.117 -9.810 1.00 1.00 H new ATOM 0 HG2 GLN X 7 75.369 5.418 -10.514 1.00 1.00 H new ATOM 0 HG3 GLN X 7 74.818 5.163 -12.159 1.00 1.00 H new ATOM 0 HE21 GLN X 7 76.935 7.031 -11.415 1.00 1.00 H new ATOM 0 HE22 GLN X 7 76.357 8.652 -11.811 1.00 1.00 H new ATOM 106 N HIS X 8 73.470 3.476 -8.312 1.00 1.00 N ATOM 107 CA HIS X 8 74.305 2.922 -7.252 1.00 1.00 C ATOM 108 C HIS X 8 74.477 1.420 -7.442 1.00 1.00 C ATOM 109 O HIS X 8 75.560 0.876 -7.228 1.00 1.00 O ATOM 110 CB HIS X 8 73.673 3.203 -5.888 1.00 1.00 C ATOM 111 CG HIS X 8 73.746 4.677 -5.598 1.00 1.00 C ATOM 112 ND1 HIS X 8 72.829 5.576 -6.120 1.00 1.00 N ATOM 113 CD2 HIS X 8 74.616 5.424 -4.843 1.00 1.00 C ATOM 114 CE1 HIS X 8 73.166 6.802 -5.676 1.00 1.00 C ATOM 115 NE2 HIS X 8 74.247 6.766 -4.895 1.00 1.00 N ATOM 0 H HIS X 8 72.566 3.831 -7.999 1.00 1.00 H new ATOM 0 HA HIS X 8 75.285 3.396 -7.297 1.00 1.00 H new ATOM 0 HB2 HIS X 8 72.635 2.871 -5.880 1.00 1.00 H new ATOM 0 HB3 HIS X 8 74.193 2.642 -5.111 1.00 1.00 H new ATOM 0 HD2 HIS X 8 75.458 5.031 -4.293 1.00 1.00 H new ATOM 0 HE1 HIS X 8 72.627 7.705 -5.922 1.00 1.00 H new ATOM 0 HE2 HIS X 8 74.705 7.553 -4.435 1.00 1.00 H new ATOM 123 N GLU X 9 73.400 0.757 -7.847 1.00 1.00 N ATOM 124 CA GLU X 9 73.439 -0.682 -8.065 1.00 1.00 C ATOM 125 C GLU X 9 74.391 -1.017 -9.208 1.00 1.00 C ATOM 126 O GLU X 9 75.153 -1.978 -9.135 1.00 1.00 O ATOM 127 CB GLU X 9 72.037 -1.191 -8.396 1.00 1.00 C ATOM 128 CG GLU X 9 71.146 -1.068 -7.158 1.00 1.00 C ATOM 129 CD GLU X 9 69.723 -1.496 -7.500 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.517 -1.966 -8.606 1.00 1.00 O ATOM 131 OE2 GLU X 9 68.857 -1.335 -6.655 1.00 1.00 O ATOM 0 H GLU X 9 72.495 1.190 -8.030 1.00 1.00 H new ATOM 0 HA GLU X 9 73.795 -1.167 -7.156 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.615 -0.616 -9.220 1.00 1.00 H new ATOM 0 HB3 GLU X 9 72.083 -2.230 -8.723 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.539 -1.689 -6.353 1.00 1.00 H new ATOM 0 HG3 GLU X 9 71.149 -0.039 -6.797 1.00 1.00 H new ATOM 138 N ARG X 10 74.343 -0.220 -10.267 1.00 1.00 N ATOM 139 CA ARG X 10 75.214 -0.445 -11.409 1.00 1.00 C ATOM 140 C ARG X 10 76.664 -0.115 -11.054 1.00 1.00 C ATOM 141 O ARG X 10 77.591 -0.800 -11.483 1.00 1.00 O ATOM 142 CB ARG X 10 74.756 0.412 -12.588 1.00 1.00 C ATOM 143 CG ARG X 10 73.367 -0.052 -13.032 1.00 1.00 C ATOM 144 CD ARG X 10 72.965 0.682 -14.312 1.00 1.00 C ATOM 145 NE ARG X 10 72.796 2.106 -14.048 1.00 1.00 N ATOM 146 CZ ARG X 10 71.643 2.589 -13.599 1.00 1.00 C ATOM 147 NH1 ARG X 10 70.637 1.786 -13.382 1.00 1.00 N ATOM 148 NH2 ARG X 10 71.515 3.868 -13.374 1.00 1.00 N ATOM 0 H ARG X 10 73.717 0.580 -10.358 1.00 1.00 H new ATOM 0 HA ARG X 10 75.158 -1.497 -11.687 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.728 1.463 -12.301 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.463 0.326 -13.413 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.370 -1.128 -13.204 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.639 0.143 -12.245 1.00 1.00 H new ATOM 0 HD2 ARG X 10 73.727 0.535 -15.078 1.00 1.00 H new ATOM 0 HD3 ARG X 10 72.036 0.265 -14.702 1.00 1.00 H new ATOM 0 HE ARG X 10 73.577 2.742 -14.211 1.00 1.00 H new ATOM 0 HH11 ARG X 10 70.736 0.786 -13.557 1.00 1.00 H new ATOM 0 HH12 ARG X 10 69.752 2.159 -13.037 1.00 1.00 H new ATOM 0 HH21 ARG X 10 72.300 4.497 -13.543 1.00 1.00 H new ATOM 0 HH22 ARG X 10 70.630 4.239 -13.029 1.00 1.00 H new ATOM 162 N TYR X 11 76.847 0.948 -10.274 1.00 1.00 N ATOM 163 CA TYR X 11 78.186 1.377 -9.871 1.00 1.00 C ATOM 164 C TYR X 11 78.908 0.299 -9.065 1.00 1.00 C ATOM 165 O TYR X 11 80.057 -0.037 -9.353 1.00 1.00 O ATOM 166 CB TYR X 11 78.085 2.651 -9.028 1.00 1.00 C ATOM 167 CG TYR X 11 79.448 3.003 -8.482 1.00 1.00 C ATOM 168 CD1 TYR X 11 80.399 3.613 -9.309 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.763 2.714 -7.150 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.663 3.935 -8.804 1.00 1.00 C ATOM 171 CE2 TYR X 11 81.027 3.036 -6.643 1.00 1.00 C ATOM 172 CZ TYR X 11 81.978 3.647 -7.470 1.00 1.00 C ATOM 173 OH TYR X 11 83.224 3.965 -6.970 1.00 1.00 O ATOM 0 H TYR X 11 76.090 1.526 -9.909 1.00 1.00 H new ATOM 0 HA TYR X 11 78.761 1.566 -10.778 1.00 1.00 H new ATOM 0 HB2 TYR X 11 77.701 3.472 -9.634 1.00 1.00 H new ATOM 0 HB3 TYR X 11 77.381 2.503 -8.209 1.00 1.00 H new ATOM 0 HD1 TYR X 11 80.156 3.835 -10.338 1.00 1.00 H new ATOM 0 HD2 TYR X 11 79.030 2.242 -6.512 1.00 1.00 H new ATOM 0 HE1 TYR X 11 82.396 4.406 -9.443 1.00 1.00 H new ATOM 0 HE2 TYR X 11 81.269 2.813 -5.614 1.00 1.00 H new ATOM 0 HH TYR X 11 83.276 3.699 -6.028 1.00 1.00 H new ATOM 183 N VAL X 12 78.237 -0.231 -8.048 1.00 1.00 N ATOM 184 CA VAL X 12 78.835 -1.259 -7.205 1.00 1.00 C ATOM 185 C VAL X 12 79.082 -2.533 -8.011 1.00 1.00 C ATOM 186 O VAL X 12 80.066 -3.238 -7.790 1.00 1.00 O ATOM 187 CB VAL X 12 77.930 -1.549 -5.998 1.00 1.00 C ATOM 188 CG1 VAL X 12 76.901 -2.618 -6.355 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.779 -2.041 -4.829 1.00 1.00 C ATOM 0 H VAL X 12 77.286 0.032 -7.789 1.00 1.00 H new ATOM 0 HA VAL X 12 79.795 -0.895 -6.838 1.00 1.00 H new ATOM 0 HB VAL X 12 77.412 -0.632 -5.719 1.00 1.00 H new ATOM 0 HG11 VAL X 12 76.266 -2.814 -5.491 1.00 1.00 H new ATOM 0 HG12 VAL X 12 76.287 -2.269 -7.185 1.00 1.00 H new ATOM 0 HG13 VAL X 12 77.414 -3.535 -6.644 1.00 1.00 H new ATOM 0 HG21 VAL X 12 78.136 -2.246 -3.973 1.00 1.00 H new ATOM 0 HG22 VAL X 12 79.302 -2.953 -5.117 1.00 1.00 H new ATOM 0 HG23 VAL X 12 79.507 -1.275 -4.560 1.00 1.00 H new ATOM 199 N GLU X 13 78.184 -2.815 -8.951 1.00 1.00 N ATOM 200 CA GLU X 13 78.315 -3.998 -9.796 1.00 1.00 C ATOM 201 C GLU X 13 79.562 -3.902 -10.663 1.00 1.00 C ATOM 202 O GLU X 13 80.272 -4.889 -10.857 1.00 1.00 O ATOM 203 CB GLU X 13 77.077 -4.140 -10.683 1.00 1.00 C ATOM 204 CG GLU X 13 75.934 -4.750 -9.869 1.00 1.00 C ATOM 205 CD GLU X 13 76.223 -6.225 -9.606 1.00 1.00 C ATOM 206 OE1 GLU X 13 76.986 -6.800 -10.364 1.00 1.00 O ATOM 207 OE2 GLU X 13 75.678 -6.758 -8.653 1.00 1.00 O ATOM 0 H GLU X 13 77.362 -2.244 -9.146 1.00 1.00 H new ATOM 0 HA GLU X 13 78.405 -4.875 -9.155 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.781 -3.166 -11.072 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.303 -4.771 -11.543 1.00 1.00 H new ATOM 0 HG2 GLU X 13 75.822 -4.217 -8.925 1.00 1.00 H new ATOM 0 HG3 GLU X 13 74.993 -4.644 -10.409 1.00 1.00 H new ATOM 214 N GLN X 14 79.832 -2.709 -11.175 1.00 1.00 N ATOM 215 CA GLN X 14 81.007 -2.504 -12.011 1.00 1.00 C ATOM 216 C GLN X 14 82.275 -2.747 -11.207 1.00 1.00 C ATOM 217 O GLN X 14 83.238 -3.323 -11.712 1.00 1.00 O ATOM 218 CB GLN X 14 81.013 -1.082 -12.570 1.00 1.00 C ATOM 219 CG GLN X 14 79.948 -0.956 -13.659 1.00 1.00 C ATOM 220 CD GLN X 14 79.789 0.506 -14.062 1.00 1.00 C ATOM 221 OE1 GLN X 14 79.361 1.324 -13.246 1.00 1.00 O ATOM 222 NE2 GLN X 14 80.094 0.887 -15.272 1.00 1.00 N ATOM 0 H GLN X 14 79.261 -1.877 -11.029 1.00 1.00 H new ATOM 0 HA GLN X 14 80.972 -3.212 -12.839 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.818 -0.366 -11.772 1.00 1.00 H new ATOM 0 HB3 GLN X 14 81.995 -0.845 -12.978 1.00 1.00 H new ATOM 0 HG2 GLN X 14 80.230 -1.553 -14.526 1.00 1.00 H new ATOM 0 HG3 GLN X 14 78.997 -1.348 -13.297 1.00 1.00 H new ATOM 0 HE21 GLN X 14 80.448 0.209 -15.946 1.00 1.00 H new ATOM 0 HE22 GLN X 14 79.978 1.863 -15.544 1.00 1.00 H new ATOM 231 N LEU X 15 82.272 -2.310 -9.954 1.00 1.00 N ATOM 232 CA LEU X 15 83.437 -2.498 -9.107 1.00 1.00 C ATOM 233 C LEU X 15 83.700 -3.979 -8.903 1.00 1.00 C ATOM 234 O LEU X 15 84.839 -4.420 -8.951 1.00 1.00 O ATOM 235 CB LEU X 15 83.228 -1.836 -7.745 1.00 1.00 C ATOM 236 CG LEU X 15 83.143 -0.316 -7.927 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.752 0.341 -6.605 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.499 0.240 -8.380 1.00 1.00 C ATOM 0 H LEU X 15 81.489 -1.831 -9.510 1.00 1.00 H new ATOM 0 HA LEU X 15 84.292 -2.036 -9.601 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.314 -2.210 -7.283 1.00 1.00 H new ATOM 0 HB3 LEU X 15 84.050 -2.088 -7.075 1.00 1.00 H new ATOM 0 HG LEU X 15 82.391 -0.097 -8.685 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.693 1.421 -6.739 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.782 -0.038 -6.283 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.502 0.110 -5.848 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.426 1.320 -8.506 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.255 0.013 -7.628 1.00 1.00 H new ATOM 0 HD23 LEU X 15 84.781 -0.217 -9.328 1.00 1.00 H new ATOM 250 N LYS X 16 82.639 -4.746 -8.675 1.00 1.00 N ATOM 251 CA LYS X 16 82.794 -6.171 -8.449 1.00 1.00 C ATOM 252 C LYS X 16 83.542 -6.831 -9.595 1.00 1.00 C ATOM 253 O LYS X 16 84.471 -7.594 -9.367 1.00 1.00 O ATOM 254 CB LYS X 16 81.419 -6.829 -8.318 1.00 1.00 C ATOM 255 CG LYS X 16 81.582 -8.311 -7.971 1.00 1.00 C ATOM 256 CD LYS X 16 80.205 -8.959 -7.890 1.00 1.00 C ATOM 257 CE LYS X 16 80.358 -10.437 -7.519 1.00 1.00 C ATOM 258 NZ LYS X 16 79.013 -11.075 -7.458 1.00 1.00 N ATOM 0 H LYS X 16 81.677 -4.408 -8.643 1.00 1.00 H new ATOM 0 HA LYS X 16 83.366 -6.302 -7.530 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.838 -6.327 -7.544 1.00 1.00 H new ATOM 0 HB3 LYS X 16 80.865 -6.724 -9.251 1.00 1.00 H new ATOM 0 HG2 LYS X 16 82.188 -8.810 -8.727 1.00 1.00 H new ATOM 0 HG3 LYS X 16 82.105 -8.419 -7.021 1.00 1.00 H new ATOM 0 HD2 LYS X 16 79.594 -8.448 -7.146 1.00 1.00 H new ATOM 0 HD3 LYS X 16 79.690 -8.864 -8.846 1.00 1.00 H new ATOM 0 HE2 LYS X 16 80.980 -10.945 -8.255 1.00 1.00 H new ATOM 0 HE3 LYS X 16 80.861 -10.531 -6.557 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 78.910 -11.582 -6.556 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 78.278 -10.343 -7.530 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 78.911 -11.746 -8.246 1.00 1.00 H new ATOM 272 N GLN X 17 83.135 -6.553 -10.823 1.00 1.00 N ATOM 273 CA GLN X 17 83.787 -7.174 -11.972 1.00 1.00 C ATOM 274 C GLN X 17 85.266 -6.794 -12.060 1.00 1.00 C ATOM 275 O GLN X 17 86.135 -7.663 -12.174 1.00 1.00 O ATOM 276 CB GLN X 17 83.065 -6.765 -13.257 1.00 1.00 C ATOM 277 CG GLN X 17 81.661 -7.375 -13.269 1.00 1.00 C ATOM 278 CD GLN X 17 81.746 -8.892 -13.418 1.00 1.00 C ATOM 279 OE1 GLN X 17 82.369 -9.389 -14.355 1.00 1.00 O ATOM 280 NE2 GLN X 17 81.156 -9.658 -12.542 1.00 1.00 N ATOM 0 H GLN X 17 82.372 -5.915 -11.051 1.00 1.00 H new ATOM 0 HA GLN X 17 83.732 -8.255 -11.845 1.00 1.00 H new ATOM 0 HB2 GLN X 17 83.002 -5.679 -13.321 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.628 -7.104 -14.127 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.139 -7.122 -12.346 1.00 1.00 H new ATOM 0 HG3 GLN X 17 81.081 -6.954 -14.090 1.00 1.00 H new ATOM 0 HE21 GLN X 17 80.640 -9.242 -11.766 1.00 1.00 H new ATOM 0 HE22 GLN X 17 81.210 -10.672 -12.633 1.00 1.00 H new ATOM 289 N ALA X 18 85.549 -5.499 -12.014 1.00 1.00 N ATOM 290 CA ALA X 18 86.927 -5.027 -12.109 1.00 1.00 C ATOM 291 C ALA X 18 87.779 -5.530 -10.944 1.00 1.00 C ATOM 292 O ALA X 18 88.851 -6.095 -11.150 1.00 1.00 O ATOM 293 CB ALA X 18 86.944 -3.499 -12.132 1.00 1.00 C ATOM 0 H ALA X 18 84.852 -4.762 -11.913 1.00 1.00 H new ATOM 0 HA ALA X 18 87.353 -5.421 -13.031 1.00 1.00 H new ATOM 0 HB1 ALA X 18 87.973 -3.148 -12.203 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.378 -3.142 -12.993 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.492 -3.116 -11.217 1.00 1.00 H new ATOM 299 N LEU X 19 87.298 -5.321 -9.725 1.00 1.00 N ATOM 300 CA LEU X 19 88.025 -5.750 -8.534 1.00 1.00 C ATOM 301 C LEU X 19 88.153 -7.269 -8.490 1.00 1.00 C ATOM 302 O LEU X 19 89.177 -7.799 -8.060 1.00 1.00 O ATOM 303 CB LEU X 19 87.312 -5.233 -7.282 1.00 1.00 C ATOM 304 CG LEU X 19 87.728 -3.775 -6.995 1.00 1.00 C ATOM 305 CD1 LEU X 19 87.693 -2.935 -8.275 1.00 1.00 C ATOM 306 CD2 LEU X 19 86.762 -3.144 -5.988 1.00 1.00 C ATOM 0 H LEU X 19 86.409 -4.858 -9.534 1.00 1.00 H new ATOM 0 HA LEU X 19 89.032 -5.333 -8.569 1.00 1.00 H new ATOM 0 HB2 LEU X 19 86.232 -5.290 -7.420 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.558 -5.864 -6.428 1.00 1.00 H new ATOM 0 HG LEU X 19 88.742 -3.792 -6.595 1.00 1.00 H new ATOM 0 HD11 LEU X 19 87.990 -1.911 -8.047 1.00 1.00 H new ATOM 0 HD12 LEU X 19 88.381 -3.358 -9.007 1.00 1.00 H new ATOM 0 HD13 LEU X 19 86.683 -2.937 -8.684 1.00 1.00 H new ATOM 0 HD21 LEU X 19 87.063 -2.115 -5.791 1.00 1.00 H new ATOM 0 HD22 LEU X 19 85.752 -3.155 -6.397 1.00 1.00 H new ATOM 0 HD23 LEU X 19 86.783 -3.713 -5.058 1.00 1.00 H new ATOM 318 N LYS X 20 87.115 -7.968 -8.934 1.00 1.00 N ATOM 319 CA LYS X 20 87.139 -9.429 -8.935 1.00 1.00 C ATOM 320 C LYS X 20 88.333 -9.943 -9.725 1.00 1.00 C ATOM 321 O LYS X 20 88.961 -10.930 -9.343 1.00 1.00 O ATOM 322 CB LYS X 20 85.832 -9.982 -9.521 1.00 1.00 C ATOM 323 CG LYS X 20 85.900 -11.505 -9.627 1.00 1.00 C ATOM 324 CD LYS X 20 84.548 -12.036 -10.097 1.00 1.00 C ATOM 325 CE LYS X 20 84.611 -13.559 -10.196 1.00 1.00 C ATOM 326 NZ LYS X 20 83.274 -14.083 -10.586 1.00 1.00 N ATOM 0 H LYS X 20 86.255 -7.555 -9.294 1.00 1.00 H new ATOM 0 HA LYS X 20 87.234 -9.774 -7.905 1.00 1.00 H new ATOM 0 HB2 LYS X 20 84.992 -9.692 -8.890 1.00 1.00 H new ATOM 0 HB3 LYS X 20 85.656 -9.550 -10.506 1.00 1.00 H new ATOM 0 HG2 LYS X 20 86.683 -11.798 -10.327 1.00 1.00 H new ATOM 0 HG3 LYS X 20 86.158 -11.938 -8.660 1.00 1.00 H new ATOM 0 HD2 LYS X 20 83.765 -11.737 -9.400 1.00 1.00 H new ATOM 0 HD3 LYS X 20 84.293 -11.607 -11.066 1.00 1.00 H new ATOM 0 HE2 LYS X 20 85.359 -13.856 -10.931 1.00 1.00 H new ATOM 0 HE3 LYS X 20 84.916 -13.985 -9.240 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 83.314 -15.120 -10.654 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 82.572 -13.810 -9.869 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 83.001 -13.686 -11.507 1.00 1.00 H new ATOM 340 N THR X 21 88.643 -9.275 -10.825 1.00 1.00 N ATOM 341 CA THR X 21 89.771 -9.685 -11.648 1.00 1.00 C ATOM 342 C THR X 21 91.092 -9.354 -10.956 1.00 1.00 C ATOM 343 O THR X 21 92.150 -9.834 -11.363 1.00 1.00 O ATOM 344 CB THR X 21 89.705 -8.988 -13.007 1.00 1.00 C ATOM 345 OG1 THR X 21 89.745 -7.581 -12.820 1.00 1.00 O ATOM 346 CG2 THR X 21 88.402 -9.377 -13.707 1.00 1.00 C ATOM 0 H THR X 21 88.137 -8.457 -11.166 1.00 1.00 H new ATOM 0 HA THR X 21 89.718 -10.764 -11.794 1.00 1.00 H new ATOM 0 HB THR X 21 90.554 -9.293 -13.619 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.548 -7.370 -11.883 1.00 1.00 H new ATOM 0 HG21 THR X 21 88.349 -8.883 -14.677 1.00 1.00 H new ATOM 0 HG22 THR X 21 88.373 -10.457 -13.848 1.00 1.00 H new ATOM 0 HG23 THR X 21 87.554 -9.068 -13.096 1.00 1.00 H new ATOM 354 N ARG X 22 91.032 -8.528 -9.912 1.00 1.00 N ATOM 355 CA ARG X 22 92.244 -8.146 -9.190 1.00 1.00 C ATOM 356 C ARG X 22 92.548 -9.114 -8.050 1.00 1.00 C ATOM 357 O ARG X 22 93.571 -8.980 -7.380 1.00 1.00 O ATOM 358 CB ARG X 22 92.108 -6.734 -8.624 1.00 1.00 C ATOM 359 CG ARG X 22 91.921 -5.737 -9.765 1.00 1.00 C ATOM 360 CD ARG X 22 92.379 -4.360 -9.300 1.00 1.00 C ATOM 361 NE ARG X 22 93.810 -4.387 -9.013 1.00 1.00 N ATOM 362 CZ ARG X 22 94.707 -4.498 -9.988 1.00 1.00 C ATOM 363 NH1 ARG X 22 94.312 -4.583 -11.230 1.00 1.00 N ATOM 364 NH2 ARG X 22 95.980 -4.523 -9.706 1.00 1.00 N ATOM 0 H ARG X 22 90.171 -8.116 -9.552 1.00 1.00 H new ATOM 0 HA ARG X 22 93.067 -8.179 -9.904 1.00 1.00 H new ATOM 0 HB2 ARG X 22 91.258 -6.685 -7.943 1.00 1.00 H new ATOM 0 HB3 ARG X 22 92.995 -6.477 -8.046 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.495 -6.050 -10.637 1.00 1.00 H new ATOM 0 HG3 ARG X 22 90.874 -5.703 -10.068 1.00 1.00 H new ATOM 0 HD2 ARG X 22 92.167 -3.617 -10.069 1.00 1.00 H new ATOM 0 HD3 ARG X 22 91.825 -4.064 -8.409 1.00 1.00 H new ATOM 0 HE ARG X 22 94.128 -4.319 -8.046 1.00 1.00 H new ATOM 0 HH11 ARG X 22 93.316 -4.564 -11.451 1.00 1.00 H new ATOM 0 HH12 ARG X 22 94.999 -4.668 -11.979 1.00 1.00 H new ATOM 0 HH21 ARG X 22 96.289 -4.457 -8.736 1.00 1.00 H new ATOM 0 HH22 ARG X 22 96.667 -4.608 -10.455 1.00 1.00 H new ATOM 378 N GLY X 23 91.664 -10.082 -7.837 1.00 1.00 N ATOM 379 CA GLY X 23 91.859 -11.062 -6.772 1.00 1.00 C ATOM 380 C GLY X 23 90.861 -10.865 -5.639 1.00 1.00 C ATOM 381 O GLY X 23 91.096 -11.296 -4.510 1.00 1.00 O ATOM 0 H GLY X 23 90.811 -10.210 -8.382 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.755 -12.068 -7.179 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.874 -10.980 -6.382 1.00 1.00 H new ATOM 385 N VAL X 24 89.748 -10.214 -5.947 1.00 1.00 N ATOM 386 CA VAL X 24 88.717 -9.967 -4.946 1.00 1.00 C ATOM 387 C VAL X 24 87.587 -10.980 -5.074 1.00 1.00 C ATOM 388 O VAL X 24 87.108 -11.256 -6.171 1.00 1.00 O ATOM 389 CB VAL X 24 88.173 -8.549 -5.118 1.00 1.00 C ATOM 390 CG1 VAL X 24 86.930 -8.357 -4.247 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.256 -7.552 -4.704 1.00 1.00 C ATOM 0 H VAL X 24 89.536 -9.849 -6.875 1.00 1.00 H new ATOM 0 HA VAL X 24 89.156 -10.072 -3.954 1.00 1.00 H new ATOM 0 HB VAL X 24 87.898 -8.385 -6.160 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.549 -7.344 -4.375 1.00 1.00 H new ATOM 0 HG12 VAL X 24 86.164 -9.073 -4.543 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.191 -8.517 -3.201 1.00 1.00 H new ATOM 0 HG21 VAL X 24 88.880 -6.536 -4.822 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.526 -7.720 -3.661 1.00 1.00 H new ATOM 0 HG23 VAL X 24 90.136 -7.689 -5.333 1.00 1.00 H new ATOM 401 N LYS X 25 87.175 -11.540 -3.942 1.00 1.00 N ATOM 402 CA LYS X 25 86.105 -12.529 -3.936 1.00 1.00 C ATOM 403 C LYS X 25 85.002 -12.123 -2.964 1.00 1.00 C ATOM 404 O LYS X 25 84.874 -12.695 -1.881 1.00 1.00 O ATOM 405 CB LYS X 25 86.670 -13.891 -3.535 1.00 1.00 C ATOM 406 CG LYS X 25 85.590 -14.958 -3.702 1.00 1.00 C ATOM 407 CD LYS X 25 86.174 -16.331 -3.368 1.00 1.00 C ATOM 408 CE LYS X 25 85.096 -17.399 -3.551 1.00 1.00 C ATOM 409 NZ LYS X 25 85.661 -18.736 -3.216 1.00 1.00 N ATOM 0 H LYS X 25 87.563 -11.328 -3.023 1.00 1.00 H new ATOM 0 HA LYS X 25 85.679 -12.589 -4.938 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.535 -14.134 -4.152 1.00 1.00 H new ATOM 0 HB3 LYS X 25 87.013 -13.864 -2.501 1.00 1.00 H new ATOM 0 HG2 LYS X 25 84.745 -14.741 -3.048 1.00 1.00 H new ATOM 0 HG3 LYS X 25 85.212 -14.951 -4.724 1.00 1.00 H new ATOM 0 HD2 LYS X 25 87.025 -16.543 -4.015 1.00 1.00 H new ATOM 0 HD3 LYS X 25 86.542 -16.342 -2.342 1.00 1.00 H new ATOM 0 HE2 LYS X 25 84.241 -17.182 -2.910 1.00 1.00 H new ATOM 0 HE3 LYS X 25 84.733 -17.393 -4.579 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 84.928 -19.464 -3.340 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 86.463 -18.941 -3.845 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 85.987 -18.738 -2.228 1.00 1.00 H new ATOM 423 N VAL X 26 84.205 -11.135 -3.364 1.00 1.00 N ATOM 424 CA VAL X 26 83.109 -10.657 -2.530 1.00 1.00 C ATOM 425 C VAL X 26 81.817 -10.575 -3.341 1.00 1.00 C ATOM 426 O VAL X 26 81.815 -10.074 -4.464 1.00 1.00 O ATOM 427 CB VAL X 26 83.446 -9.276 -1.966 1.00 1.00 C ATOM 428 CG1 VAL X 26 82.201 -8.680 -1.312 1.00 1.00 C ATOM 429 CG2 VAL X 26 84.556 -9.406 -0.922 1.00 1.00 C ATOM 0 H VAL X 26 84.298 -10.652 -4.258 1.00 1.00 H new ATOM 0 HA VAL X 26 82.968 -11.360 -1.709 1.00 1.00 H new ATOM 0 HB VAL X 26 83.783 -8.626 -2.773 1.00 1.00 H new ATOM 0 HG11 VAL X 26 82.438 -7.695 -0.909 1.00 1.00 H new ATOM 0 HG12 VAL X 26 81.409 -8.587 -2.055 1.00 1.00 H new ATOM 0 HG13 VAL X 26 81.867 -9.332 -0.505 1.00 1.00 H new ATOM 0 HG21 VAL X 26 84.795 -8.421 -0.521 1.00 1.00 H new ATOM 0 HG22 VAL X 26 84.221 -10.056 -0.113 1.00 1.00 H new ATOM 0 HG23 VAL X 26 85.444 -9.834 -1.387 1.00 1.00 H new ATOM 439 N LYS X 27 80.724 -11.069 -2.767 1.00 1.00 N ATOM 440 CA LYS X 27 79.436 -11.047 -3.446 1.00 1.00 C ATOM 441 C LYS X 27 79.010 -9.609 -3.746 1.00 1.00 C ATOM 442 O LYS X 27 79.449 -8.670 -3.087 1.00 1.00 O ATOM 443 CB LYS X 27 78.392 -11.698 -2.545 1.00 1.00 C ATOM 444 CG LYS X 27 78.797 -13.145 -2.277 1.00 1.00 C ATOM 445 CD LYS X 27 77.815 -13.771 -1.294 1.00 1.00 C ATOM 446 CE LYS X 27 78.251 -15.202 -0.991 1.00 1.00 C ATOM 447 NZ LYS X 27 77.287 -15.825 -0.040 1.00 1.00 N ATOM 0 H LYS X 27 80.706 -11.487 -1.837 1.00 1.00 H new ATOM 0 HA LYS X 27 79.522 -11.591 -4.387 1.00 1.00 H new ATOM 0 HB2 LYS X 27 78.311 -11.150 -1.606 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.411 -11.664 -3.020 1.00 1.00 H new ATOM 0 HG2 LYS X 27 78.806 -13.710 -3.209 1.00 1.00 H new ATOM 0 HG3 LYS X 27 79.808 -13.182 -1.872 1.00 1.00 H new ATOM 0 HD2 LYS X 27 77.780 -13.187 -0.375 1.00 1.00 H new ATOM 0 HD3 LYS X 27 76.809 -13.766 -1.714 1.00 1.00 H new ATOM 0 HE2 LYS X 27 78.296 -15.783 -1.912 1.00 1.00 H new ATOM 0 HE3 LYS X 27 79.254 -15.205 -0.563 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 77.584 -16.800 0.166 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 77.266 -15.275 0.843 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 76.338 -15.835 -0.465 1.00 1.00 H new ATOM 461 N TYR X 28 78.149 -9.449 -4.744 1.00 1.00 N ATOM 462 CA TYR X 28 77.659 -8.124 -5.114 1.00 1.00 C ATOM 463 C TYR X 28 76.855 -7.502 -3.978 1.00 1.00 C ATOM 464 O TYR X 28 77.055 -6.340 -3.619 1.00 1.00 O ATOM 465 CB TYR X 28 76.783 -8.232 -6.359 1.00 1.00 C ATOM 466 CG TYR X 28 75.444 -7.585 -6.104 1.00 1.00 C ATOM 467 CD1 TYR X 28 75.311 -6.192 -6.140 1.00 1.00 C ATOM 468 CD2 TYR X 28 74.329 -8.388 -5.838 1.00 1.00 C ATOM 469 CE1 TYR X 28 74.062 -5.602 -5.909 1.00 1.00 C ATOM 470 CE2 TYR X 28 73.081 -7.799 -5.608 1.00 1.00 C ATOM 471 CZ TYR X 28 72.947 -6.405 -5.643 1.00 1.00 C ATOM 472 OH TYR X 28 71.716 -5.825 -5.419 1.00 1.00 O ATOM 0 H TYR X 28 77.777 -10.213 -5.309 1.00 1.00 H new ATOM 0 HA TYR X 28 78.518 -7.485 -5.319 1.00 1.00 H new ATOM 0 HB2 TYR X 28 77.275 -7.749 -7.203 1.00 1.00 H new ATOM 0 HB3 TYR X 28 76.645 -9.279 -6.627 1.00 1.00 H new ATOM 0 HD1 TYR X 28 76.171 -5.572 -6.346 1.00 1.00 H new ATOM 0 HD2 TYR X 28 74.432 -9.463 -5.810 1.00 1.00 H new ATOM 0 HE1 TYR X 28 73.959 -4.527 -5.936 1.00 1.00 H new ATOM 0 HE2 TYR X 28 72.221 -8.419 -5.403 1.00 1.00 H new ATOM 0 HH TYR X 28 71.051 -6.524 -5.251 1.00 1.00 H new ATOM 482 N ALA X 29 75.940 -8.284 -3.430 1.00 1.00 N ATOM 483 CA ALA X 29 75.088 -7.817 -2.344 1.00 1.00 C ATOM 484 C ALA X 29 75.919 -7.338 -1.158 1.00 1.00 C ATOM 485 O ALA X 29 75.517 -6.428 -0.444 1.00 1.00 O ATOM 486 CB ALA X 29 74.159 -8.943 -1.885 1.00 1.00 C ATOM 0 H ALA X 29 75.766 -9.247 -3.718 1.00 1.00 H new ATOM 0 HA ALA X 29 74.499 -6.980 -2.719 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.526 -8.584 -1.073 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.534 -9.261 -2.719 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.755 -9.786 -1.535 1.00 1.00 H new ATOM 492 N ASP X 30 77.073 -7.953 -0.941 1.00 1.00 N ATOM 493 CA ASP X 30 77.914 -7.560 0.180 1.00 1.00 C ATOM 494 C ASP X 30 78.328 -6.093 0.053 1.00 1.00 C ATOM 495 O ASP X 30 78.192 -5.321 1.002 1.00 1.00 O ATOM 496 CB ASP X 30 79.163 -8.445 0.223 1.00 1.00 C ATOM 497 CG ASP X 30 78.851 -9.789 0.879 1.00 1.00 C ATOM 498 OD1 ASP X 30 77.806 -9.901 1.499 1.00 1.00 O ATOM 499 OD2 ASP X 30 79.663 -10.689 0.742 1.00 1.00 O ATOM 0 H ASP X 30 77.443 -8.711 -1.514 1.00 1.00 H new ATOM 0 HA ASP X 30 77.346 -7.684 1.102 1.00 1.00 H new ATOM 0 HB2 ASP X 30 79.535 -8.606 -0.789 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.954 -7.939 0.777 1.00 1.00 H new ATOM 504 N LEU X 31 78.822 -5.714 -1.121 1.00 1.00 N ATOM 505 CA LEU X 31 79.241 -4.333 -1.359 1.00 1.00 C ATOM 506 C LEU X 31 78.044 -3.390 -1.322 1.00 1.00 C ATOM 507 O LEU X 31 78.123 -2.297 -0.761 1.00 1.00 O ATOM 508 CB LEU X 31 79.930 -4.204 -2.726 1.00 1.00 C ATOM 509 CG LEU X 31 81.241 -4.995 -2.743 1.00 1.00 C ATOM 510 CD1 LEU X 31 81.867 -4.916 -4.135 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.217 -4.415 -1.717 1.00 1.00 C ATOM 0 H LEU X 31 78.942 -6.337 -1.919 1.00 1.00 H new ATOM 0 HA LEU X 31 79.941 -4.062 -0.569 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.267 -4.571 -3.510 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.129 -3.154 -2.942 1.00 1.00 H new ATOM 0 HG LEU X 31 81.031 -6.035 -2.491 1.00 1.00 H new ATOM 0 HD11 LEU X 31 82.800 -5.479 -4.147 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.179 -5.338 -4.868 1.00 1.00 H new ATOM 0 HD13 LEU X 31 82.069 -3.874 -4.385 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.146 -4.984 -1.737 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.424 -3.373 -1.961 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.776 -4.474 -0.722 1.00 1.00 H new ATOM 523 N LEU X 32 76.937 -3.814 -1.929 1.00 1.00 N ATOM 524 CA LEU X 32 75.738 -2.986 -1.962 1.00 1.00 C ATOM 525 C LEU X 32 75.239 -2.740 -0.543 1.00 1.00 C ATOM 526 O LEU X 32 74.927 -1.610 -0.166 1.00 1.00 O ATOM 527 CB LEU X 32 74.649 -3.686 -2.790 1.00 1.00 C ATOM 528 CG LEU X 32 73.382 -2.817 -2.838 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.690 -1.487 -3.532 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.289 -3.551 -3.619 1.00 1.00 C ATOM 0 H LEU X 32 76.847 -4.715 -2.399 1.00 1.00 H new ATOM 0 HA LEU X 32 75.975 -2.027 -2.423 1.00 1.00 H new ATOM 0 HB2 LEU X 32 75.012 -3.870 -3.801 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.417 -4.657 -2.353 1.00 1.00 H new ATOM 0 HG LEU X 32 73.042 -2.624 -1.820 1.00 1.00 H new ATOM 0 HD11 LEU X 32 72.788 -0.875 -3.563 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.467 -0.960 -2.979 1.00 1.00 H new ATOM 0 HD13 LEU X 32 74.034 -1.678 -4.549 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.390 -2.935 -3.653 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.635 -3.745 -4.634 1.00 1.00 H new ATOM 0 HD23 LEU X 32 72.062 -4.496 -3.126 1.00 1.00 H new ATOM 542 N LYS X 33 75.180 -3.807 0.243 1.00 1.00 N ATOM 543 CA LYS X 33 74.735 -3.704 1.624 1.00 1.00 C ATOM 544 C LYS X 33 75.717 -2.872 2.439 1.00 1.00 C ATOM 545 O LYS X 33 75.311 -2.031 3.240 1.00 1.00 O ATOM 546 CB LYS X 33 74.614 -5.101 2.230 1.00 1.00 C ATOM 547 CG LYS X 33 73.439 -5.833 1.581 1.00 1.00 C ATOM 548 CD LYS X 33 73.433 -7.291 2.041 1.00 1.00 C ATOM 549 CE LYS X 33 72.369 -8.065 1.263 1.00 1.00 C ATOM 550 NZ LYS X 33 71.015 -7.591 1.661 1.00 1.00 N ATOM 0 H LYS X 33 75.434 -4.750 -0.052 1.00 1.00 H new ATOM 0 HA LYS X 33 73.762 -3.213 1.644 1.00 1.00 H new ATOM 0 HB2 LYS X 33 75.537 -5.659 2.073 1.00 1.00 H new ATOM 0 HB3 LYS X 33 74.463 -5.031 3.307 1.00 1.00 H new ATOM 0 HG2 LYS X 33 72.500 -5.350 1.853 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.520 -5.783 0.495 1.00 1.00 H new ATOM 0 HD2 LYS X 33 74.414 -7.738 1.880 1.00 1.00 H new ATOM 0 HD3 LYS X 33 73.229 -7.346 3.110 1.00 1.00 H new ATOM 0 HE2 LYS X 33 72.514 -7.925 0.192 1.00 1.00 H new ATOM 0 HE3 LYS X 33 72.464 -9.133 1.461 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 70.295 -8.236 1.278 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 70.945 -7.571 2.698 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 70.858 -6.634 1.285 1.00 1.00 H new ATOM 564 N PHE X 34 77.014 -3.109 2.236 1.00 1.00 N ATOM 565 CA PHE X 34 78.024 -2.374 2.968 1.00 1.00 C ATOM 566 C PHE X 34 77.920 -0.875 2.683 1.00 1.00 C ATOM 567 O PHE X 34 78.027 -0.046 3.587 1.00 1.00 O ATOM 568 CB PHE X 34 79.426 -2.860 2.591 1.00 1.00 C ATOM 569 CG PHE X 34 80.477 -1.943 3.206 1.00 1.00 C ATOM 570 CD1 PHE X 34 80.271 -1.335 4.450 1.00 1.00 C ATOM 571 CD2 PHE X 34 81.659 -1.701 2.496 1.00 1.00 C ATOM 572 CE1 PHE X 34 81.247 -0.484 4.984 1.00 1.00 C ATOM 573 CE2 PHE X 34 82.636 -0.851 3.029 1.00 1.00 C ATOM 574 CZ PHE X 34 82.430 -0.243 4.274 1.00 1.00 C ATOM 0 H PHE X 34 77.378 -3.797 1.577 1.00 1.00 H new ATOM 0 HA PHE X 34 77.854 -2.550 4.030 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.572 -3.882 2.942 1.00 1.00 H new ATOM 0 HB3 PHE X 34 79.535 -2.876 1.507 1.00 1.00 H new ATOM 0 HD1 PHE X 34 79.359 -1.522 4.998 1.00 1.00 H new ATOM 0 HD2 PHE X 34 81.818 -2.170 1.536 1.00 1.00 H new ATOM 0 HE1 PHE X 34 81.087 -0.014 5.943 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.548 -0.664 2.481 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.183 0.412 4.686 1.00 1.00 H new ATOM 584 N PHE X 35 77.726 -0.540 1.413 1.00 1.00 N ATOM 585 CA PHE X 35 77.623 0.857 0.999 1.00 1.00 C ATOM 586 C PHE X 35 76.491 1.538 1.763 1.00 1.00 C ATOM 587 O PHE X 35 76.628 2.668 2.229 1.00 1.00 O ATOM 588 CB PHE X 35 77.356 0.943 -0.507 1.00 1.00 C ATOM 589 CG PHE X 35 77.917 2.242 -1.044 1.00 1.00 C ATOM 590 CD1 PHE X 35 77.361 3.467 -0.658 1.00 1.00 C ATOM 591 CD2 PHE X 35 79.007 2.214 -1.923 1.00 1.00 C ATOM 592 CE1 PHE X 35 77.894 4.664 -1.150 1.00 1.00 C ATOM 593 CE2 PHE X 35 79.541 3.411 -2.415 1.00 1.00 C ATOM 594 CZ PHE X 35 78.984 4.636 -2.029 1.00 1.00 C ATOM 0 H PHE X 35 77.637 -1.214 0.652 1.00 1.00 H new ATOM 0 HA PHE X 35 78.563 1.362 1.220 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.816 0.097 -1.018 1.00 1.00 H new ATOM 0 HB3 PHE X 35 76.285 0.889 -0.701 1.00 1.00 H new ATOM 0 HD1 PHE X 35 76.520 3.489 0.020 1.00 1.00 H new ATOM 0 HD2 PHE X 35 79.436 1.269 -2.221 1.00 1.00 H new ATOM 0 HE1 PHE X 35 77.465 5.609 -0.852 1.00 1.00 H new ATOM 0 HE2 PHE X 35 80.382 3.389 -3.092 1.00 1.00 H new ATOM 0 HZ PHE X 35 79.395 5.560 -2.409 1.00 1.00 H new ATOM 604 N ASP X 36 75.373 0.839 1.889 1.00 1.00 N ATOM 605 CA ASP X 36 74.229 1.377 2.608 1.00 1.00 C ATOM 606 C ASP X 36 74.568 1.580 4.085 1.00 1.00 C ATOM 607 O ASP X 36 74.088 2.521 4.718 1.00 1.00 O ATOM 608 CB ASP X 36 73.036 0.430 2.466 1.00 1.00 C ATOM 609 CG ASP X 36 72.284 0.731 1.171 1.00 1.00 C ATOM 610 OD1 ASP X 36 72.046 1.898 0.913 1.00 1.00 O ATOM 611 OD2 ASP X 36 71.946 -0.207 0.468 1.00 1.00 O ATOM 0 H ASP X 36 75.234 -0.096 1.505 1.00 1.00 H new ATOM 0 HA ASP X 36 73.971 2.345 2.180 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.380 -0.604 2.465 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.367 0.543 3.320 1.00 1.00 H new ATOM 616 N PHE X 37 75.389 0.684 4.630 1.00 1.00 N ATOM 617 CA PHE X 37 75.770 0.770 6.039 1.00 1.00 C ATOM 618 C PHE X 37 76.484 2.088 6.336 1.00 1.00 C ATOM 619 O PHE X 37 76.102 2.816 7.252 1.00 1.00 O ATOM 620 CB PHE X 37 76.708 -0.388 6.385 1.00 1.00 C ATOM 621 CG PHE X 37 76.926 -0.442 7.878 1.00 1.00 C ATOM 622 CD1 PHE X 37 77.801 0.464 8.489 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.252 -1.394 8.653 1.00 1.00 C ATOM 624 CE1 PHE X 37 78.000 0.421 9.874 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.451 -1.437 10.038 1.00 1.00 C ATOM 626 CZ PHE X 37 77.325 -0.530 10.648 1.00 1.00 C ATOM 0 H PHE X 37 75.799 -0.101 4.125 1.00 1.00 H new ATOM 0 HA PHE X 37 74.862 0.718 6.640 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.283 -1.329 6.036 1.00 1.00 H new ATOM 0 HB3 PHE X 37 77.662 -0.260 5.873 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.323 1.197 7.891 1.00 1.00 H new ATOM 0 HD2 PHE X 37 75.579 -2.095 8.182 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.674 1.121 10.345 1.00 1.00 H new ATOM 0 HE2 PHE X 37 75.930 -2.170 10.636 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.479 -0.564 11.716 1.00 1.00 H new ATOM 636 N VAL X 38 77.521 2.390 5.559 1.00 1.00 N ATOM 637 CA VAL X 38 78.274 3.627 5.757 1.00 1.00 C ATOM 638 C VAL X 38 77.434 4.829 5.352 1.00 1.00 C ATOM 639 O VAL X 38 77.582 5.914 5.903 1.00 1.00 O ATOM 640 CB VAL X 38 79.583 3.606 4.951 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.278 3.493 3.462 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.358 4.903 5.191 1.00 1.00 C ATOM 0 H VAL X 38 77.857 1.804 4.795 1.00 1.00 H new ATOM 0 HA VAL X 38 78.521 3.707 6.816 1.00 1.00 H new ATOM 0 HB VAL X 38 80.176 2.750 5.273 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.211 3.479 2.899 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.726 2.572 3.272 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.678 4.347 3.148 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.285 4.884 4.618 1.00 1.00 H new ATOM 0 HG22 VAL X 38 79.753 5.752 4.874 1.00 1.00 H new ATOM 0 HG23 VAL X 38 80.589 4.998 6.252 1.00 1.00 H new ATOM 652 N LYS X 39 76.563 4.636 4.377 1.00 1.00 N ATOM 653 CA LYS X 39 75.718 5.728 3.908 1.00 1.00 C ATOM 654 C LYS X 39 74.777 6.198 5.016 1.00 1.00 C ATOM 655 O LYS X 39 74.634 7.397 5.257 1.00 1.00 O ATOM 656 CB LYS X 39 74.895 5.267 2.706 1.00 1.00 C ATOM 657 CG LYS X 39 74.114 6.450 2.132 1.00 1.00 C ATOM 658 CD LYS X 39 73.342 5.994 0.892 1.00 1.00 C ATOM 659 CE LYS X 39 72.577 7.180 0.303 1.00 1.00 C ATOM 660 NZ LYS X 39 71.888 6.752 -0.948 1.00 1.00 N ATOM 0 H LYS X 39 76.421 3.747 3.898 1.00 1.00 H new ATOM 0 HA LYS X 39 76.361 6.559 3.617 1.00 1.00 H new ATOM 0 HB2 LYS X 39 75.551 4.847 1.943 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.208 4.476 3.006 1.00 1.00 H new ATOM 0 HG2 LYS X 39 73.425 6.842 2.880 1.00 1.00 H new ATOM 0 HG3 LYS X 39 74.797 7.259 1.872 1.00 1.00 H new ATOM 0 HD2 LYS X 39 74.030 5.587 0.151 1.00 1.00 H new ATOM 0 HD3 LYS X 39 72.649 5.195 1.155 1.00 1.00 H new ATOM 0 HE2 LYS X 39 71.849 7.551 1.024 1.00 1.00 H new ATOM 0 HE3 LYS X 39 73.263 8.000 0.091 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 71.367 7.557 -1.350 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 72.593 6.417 -1.636 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 71.223 5.982 -0.732 1.00 1.00 H new ATOM 674 N ASP X 40 74.127 5.244 5.674 1.00 1.00 N ATOM 675 CA ASP X 40 73.186 5.561 6.744 1.00 1.00 C ATOM 676 C ASP X 40 73.909 6.091 7.978 1.00 1.00 C ATOM 677 O ASP X 40 73.382 6.936 8.701 1.00 1.00 O ATOM 678 CB ASP X 40 72.382 4.311 7.119 1.00 1.00 C ATOM 679 CG ASP X 40 71.204 4.124 6.161 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.011 4.977 5.309 1.00 1.00 O ATOM 681 OD2 ASP X 40 70.524 3.119 6.284 1.00 1.00 O ATOM 0 H ASP X 40 74.234 4.247 5.486 1.00 1.00 H new ATOM 0 HA ASP X 40 72.513 6.337 6.381 1.00 1.00 H new ATOM 0 HB2 ASP X 40 73.027 3.433 7.087 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.016 4.400 8.142 1.00 1.00 H new ATOM 686 N THR X 41 75.110 5.580 8.229 1.00 1.00 N ATOM 687 CA THR X 41 75.875 6.005 9.394 1.00 1.00 C ATOM 688 C THR X 41 76.857 7.104 9.020 1.00 1.00 C ATOM 689 O THR X 41 77.475 7.720 9.887 1.00 1.00 O ATOM 690 CB THR X 41 76.633 4.814 9.985 1.00 1.00 C ATOM 691 OG1 THR X 41 77.651 4.405 9.078 1.00 1.00 O ATOM 692 CG2 THR X 41 75.663 3.654 10.222 1.00 1.00 C ATOM 0 H THR X 41 75.570 4.879 7.648 1.00 1.00 H new ATOM 0 HA THR X 41 75.180 6.396 10.137 1.00 1.00 H new ATOM 0 HB THR X 41 77.085 5.106 10.933 1.00 1.00 H new ATOM 0 HG1 THR X 41 77.280 3.763 8.437 1.00 1.00 H new ATOM 0 HG21 THR X 41 76.205 2.807 10.643 1.00 1.00 H new ATOM 0 HG22 THR X 41 74.884 3.968 10.917 1.00 1.00 H new ATOM 0 HG23 THR X 41 75.209 3.360 9.276 1.00 1.00 H new ATOM 700 N CYS X 42 77.011 7.336 7.722 1.00 1.00 N ATOM 701 CA CYS X 42 77.932 8.353 7.254 1.00 1.00 C ATOM 702 C CYS X 42 77.507 8.882 5.871 1.00 1.00 C ATOM 703 O CYS X 42 77.630 8.171 4.871 1.00 1.00 O ATOM 704 CB CYS X 42 79.342 7.761 7.188 1.00 1.00 C ATOM 705 SG CYS X 42 80.142 8.206 5.625 1.00 1.00 S ATOM 0 H CYS X 42 76.513 6.837 6.985 1.00 1.00 H new ATOM 0 HA CYS X 42 77.921 9.192 7.950 1.00 1.00 H new ATOM 0 HB2 CYS X 42 79.936 8.127 8.025 1.00 1.00 H new ATOM 0 HB3 CYS X 42 79.293 6.676 7.282 1.00 1.00 H new ATOM 0 HG CYS X 42 80.868 9.271 5.797 1.00 1.00 H new ATOM 711 N PRO X 43 77.000 10.096 5.780 1.00 1.00 N ATOM 712 CA PRO X 43 76.574 10.675 4.480 1.00 1.00 C ATOM 713 C PRO X 43 77.770 11.105 3.638 1.00 1.00 C ATOM 714 O PRO X 43 77.626 11.431 2.458 1.00 1.00 O ATOM 715 CB PRO X 43 75.703 11.868 4.868 1.00 1.00 C ATOM 716 CG PRO X 43 76.168 12.281 6.224 1.00 1.00 C ATOM 717 CD PRO X 43 76.787 11.051 6.885 1.00 1.00 C ATOM 0 HA PRO X 43 76.038 9.954 3.863 1.00 1.00 H new ATOM 0 HB2 PRO X 43 75.812 12.682 4.152 1.00 1.00 H new ATOM 0 HB3 PRO X 43 74.648 11.595 4.882 1.00 1.00 H new ATOM 0 HG2 PRO X 43 76.898 13.087 6.151 1.00 1.00 H new ATOM 0 HG3 PRO X 43 75.335 12.658 6.818 1.00 1.00 H new ATOM 0 HD2 PRO X 43 77.726 11.299 7.380 1.00 1.00 H new ATOM 0 HD3 PRO X 43 76.125 10.635 7.645 1.00 1.00 H new ATOM 725 N TRP X 44 78.949 11.115 4.258 1.00 1.00 N ATOM 726 CA TRP X 44 80.158 11.517 3.565 1.00 1.00 C ATOM 727 C TRP X 44 80.893 10.296 3.026 1.00 1.00 C ATOM 728 O TRP X 44 80.393 9.171 3.086 1.00 1.00 O ATOM 729 CB TRP X 44 81.077 12.305 4.507 1.00 1.00 C ATOM 730 CG TRP X 44 81.072 11.668 5.858 1.00 1.00 C ATOM 731 CD1 TRP X 44 81.739 10.535 6.180 1.00 1.00 C ATOM 732 CD2 TRP X 44 80.371 12.088 7.065 1.00 1.00 C ATOM 733 NE1 TRP X 44 81.492 10.234 7.508 1.00 1.00 N ATOM 734 CE2 TRP X 44 80.655 11.162 8.097 1.00 1.00 C ATOM 735 CE3 TRP X 44 79.526 13.173 7.362 1.00 1.00 C ATOM 736 CZ2 TRP X 44 80.119 11.307 9.377 1.00 1.00 C ATOM 737 CZ3 TRP X 44 78.984 13.321 8.649 1.00 1.00 C ATOM 738 CH2 TRP X 44 79.280 12.389 9.654 1.00 1.00 C ATOM 0 H TRP X 44 79.086 10.850 5.233 1.00 1.00 H new ATOM 0 HA TRP X 44 79.877 12.157 2.729 1.00 1.00 H new ATOM 0 HB2 TRP X 44 82.091 12.328 4.108 1.00 1.00 H new ATOM 0 HB3 TRP X 44 80.740 13.339 4.580 1.00 1.00 H new ATOM 0 HD1 TRP X 44 82.362 9.960 5.510 1.00 1.00 H new ATOM 0 HE1 TRP X 44 81.881 9.425 7.993 1.00 1.00 H new ATOM 0 HE3 TRP X 44 79.293 13.897 6.595 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 80.351 10.588 10.148 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 78.336 14.157 8.866 1.00 1.00 H new ATOM 0 HH2 TRP X 44 78.860 12.508 10.642 1.00 1.00 H new ATOM 749 N PHE X 45 82.085 10.541 2.499 1.00 1.00 N ATOM 750 CA PHE X 45 82.921 9.484 1.933 1.00 1.00 C ATOM 751 C PHE X 45 84.036 10.085 1.074 1.00 1.00 C ATOM 752 O PHE X 45 85.174 9.612 1.115 1.00 1.00 O ATOM 753 CB PHE X 45 82.089 8.509 1.082 1.00 1.00 C ATOM 754 CG PHE X 45 82.806 8.234 -0.220 1.00 1.00 C ATOM 755 CD1 PHE X 45 84.011 7.520 -0.217 1.00 1.00 C ATOM 756 CD2 PHE X 45 82.261 8.681 -1.430 1.00 1.00 C ATOM 757 CE1 PHE X 45 84.670 7.254 -1.424 1.00 1.00 C ATOM 758 CE2 PHE X 45 82.920 8.414 -2.636 1.00 1.00 C ATOM 759 CZ PHE X 45 84.124 7.701 -2.633 1.00 1.00 C ATOM 0 H PHE X 45 82.500 11.471 2.450 1.00 1.00 H new ATOM 0 HA PHE X 45 83.360 8.933 2.764 1.00 1.00 H new ATOM 0 HB2 PHE X 45 81.932 7.578 1.626 1.00 1.00 H new ATOM 0 HB3 PHE X 45 81.104 8.932 0.884 1.00 1.00 H new ATOM 0 HD1 PHE X 45 84.432 7.175 0.716 1.00 1.00 H new ATOM 0 HD2 PHE X 45 81.332 9.232 -1.433 1.00 1.00 H new ATOM 0 HE1 PHE X 45 85.599 6.704 -1.422 1.00 1.00 H new ATOM 0 HE2 PHE X 45 82.499 8.758 -3.569 1.00 1.00 H new ATOM 0 HZ PHE X 45 84.632 7.496 -3.564 1.00 1.00 H new ATOM 769 N PRO X 46 83.745 11.104 0.296 1.00 1.00 N ATOM 770 CA PRO X 46 84.764 11.755 -0.585 1.00 1.00 C ATOM 771 C PRO X 46 85.936 12.335 0.201 1.00 1.00 C ATOM 772 O PRO X 46 85.763 12.855 1.305 1.00 1.00 O ATOM 773 CB PRO X 46 83.981 12.864 -1.296 1.00 1.00 C ATOM 774 CG PRO X 46 82.548 12.471 -1.178 1.00 1.00 C ATOM 775 CD PRO X 46 82.427 11.748 0.152 1.00 1.00 C ATOM 0 HA PRO X 46 85.218 11.039 -1.270 1.00 1.00 H new ATOM 0 HB2 PRO X 46 84.163 13.833 -0.832 1.00 1.00 H new ATOM 0 HB3 PRO X 46 84.281 12.950 -2.340 1.00 1.00 H new ATOM 0 HG2 PRO X 46 81.899 13.346 -1.208 1.00 1.00 H new ATOM 0 HG3 PRO X 46 82.250 11.824 -2.003 1.00 1.00 H new ATOM 0 HD2 PRO X 46 82.223 12.438 0.970 1.00 1.00 H new ATOM 0 HD3 PRO X 46 81.619 11.017 0.143 1.00 1.00 H new ATOM 783 N GLN X 47 87.128 12.244 -0.381 1.00 1.00 N ATOM 784 CA GLN X 47 88.328 12.765 0.263 1.00 1.00 C ATOM 785 C GLN X 47 89.465 12.882 -0.750 1.00 1.00 C ATOM 786 O GLN X 47 89.537 12.106 -1.704 1.00 1.00 O ATOM 787 CB GLN X 47 88.745 11.836 1.406 1.00 1.00 C ATOM 788 CG GLN X 47 89.887 12.468 2.209 1.00 1.00 C ATOM 789 CD GLN X 47 89.396 13.728 2.914 1.00 1.00 C ATOM 790 OE1 GLN X 47 88.267 13.766 3.403 1.00 1.00 O ATOM 791 NE2 GLN X 47 90.177 14.771 2.988 1.00 1.00 N ATOM 0 H GLN X 47 87.288 11.816 -1.293 1.00 1.00 H new ATOM 0 HA GLN X 47 88.112 13.756 0.663 1.00 1.00 H new ATOM 0 HB2 GLN X 47 87.893 11.645 2.059 1.00 1.00 H new ATOM 0 HB3 GLN X 47 89.061 10.873 1.005 1.00 1.00 H new ATOM 0 HG2 GLN X 47 90.265 11.755 2.942 1.00 1.00 H new ATOM 0 HG3 GLN X 47 90.717 12.713 1.546 1.00 1.00 H new ATOM 0 HE21 GLN X 47 91.112 14.738 2.582 1.00 1.00 H new ATOM 0 HE22 GLN X 47 89.852 15.619 3.452 1.00 1.00 H new ATOM 800 N GLU X 48 90.351 13.850 -0.532 1.00 1.00 N ATOM 801 CA GLU X 48 91.486 14.060 -1.427 1.00 1.00 C ATOM 802 C GLU X 48 92.797 13.734 -0.715 1.00 1.00 C ATOM 803 O GLU X 48 92.896 13.850 0.506 1.00 1.00 O ATOM 804 CB GLU X 48 91.513 15.511 -1.911 1.00 1.00 C ATOM 805 CG GLU X 48 90.318 15.766 -2.832 1.00 1.00 C ATOM 806 CD GLU X 48 90.308 17.224 -3.279 1.00 1.00 C ATOM 807 OE1 GLU X 48 91.191 17.957 -2.865 1.00 1.00 O ATOM 808 OE2 GLU X 48 89.423 17.584 -4.038 1.00 1.00 O ATOM 0 H GLU X 48 90.306 14.499 0.253 1.00 1.00 H new ATOM 0 HA GLU X 48 91.375 13.396 -2.284 1.00 1.00 H new ATOM 0 HB2 GLU X 48 91.480 16.190 -1.059 1.00 1.00 H new ATOM 0 HB3 GLU X 48 92.444 15.711 -2.442 1.00 1.00 H new ATOM 0 HG2 GLU X 48 90.372 15.111 -3.701 1.00 1.00 H new ATOM 0 HG3 GLU X 48 89.390 15.530 -2.311 1.00 1.00 H new ATOM 815 N GLY X 49 93.800 13.324 -1.488 1.00 1.00 N ATOM 816 CA GLY X 49 95.100 12.982 -0.921 1.00 1.00 C ATOM 817 C GLY X 49 95.319 11.473 -0.928 1.00 1.00 C ATOM 818 O GLY X 49 95.346 10.844 -1.985 1.00 1.00 O ATOM 0 H GLY X 49 93.738 13.221 -2.501 1.00 1.00 H new ATOM 0 HA2 GLY X 49 95.890 13.470 -1.492 1.00 1.00 H new ATOM 0 HA3 GLY X 49 95.166 13.358 0.100 1.00 1.00 H new ATOM 822 N THR X 50 95.470 10.899 0.262 1.00 1.00 N ATOM 823 CA THR X 50 95.685 9.466 0.388 1.00 1.00 C ATOM 824 C THR X 50 94.426 8.712 -0.013 1.00 1.00 C ATOM 825 O THR X 50 93.354 9.307 -0.134 1.00 1.00 O ATOM 826 CB THR X 50 96.054 9.114 1.831 1.00 1.00 C ATOM 827 OG1 THR X 50 94.952 9.397 2.682 1.00 1.00 O ATOM 828 CG2 THR X 50 97.263 9.942 2.268 1.00 1.00 C ATOM 0 H THR X 50 95.447 11.404 1.148 1.00 1.00 H new ATOM 0 HA THR X 50 96.503 9.177 -0.272 1.00 1.00 H new ATOM 0 HB THR X 50 96.301 8.054 1.894 1.00 1.00 H new ATOM 0 HG1 THR X 50 95.186 9.171 3.606 1.00 1.00 H new ATOM 0 HG21 THR X 50 97.524 9.690 3.296 1.00 1.00 H new ATOM 0 HG22 THR X 50 98.108 9.724 1.615 1.00 1.00 H new ATOM 0 HG23 THR X 50 97.020 11.003 2.205 1.00 1.00 H new ATOM 836 N ILE X 51 94.569 7.407 -0.229 1.00 1.00 N ATOM 837 CA ILE X 51 93.437 6.571 -0.630 1.00 1.00 C ATOM 838 C ILE X 51 92.162 7.045 0.061 1.00 1.00 C ATOM 839 O ILE X 51 92.002 6.890 1.272 1.00 1.00 O ATOM 840 CB ILE X 51 93.716 5.107 -0.255 1.00 1.00 C ATOM 841 CG1 ILE X 51 94.895 4.564 -1.072 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.476 4.263 -0.548 1.00 1.00 C ATOM 843 CD1 ILE X 51 95.615 3.478 -0.275 1.00 1.00 C ATOM 0 H ILE X 51 95.452 6.906 -0.134 1.00 1.00 H new ATOM 0 HA ILE X 51 93.304 6.649 -1.709 1.00 1.00 H new ATOM 0 HB ILE X 51 93.962 5.056 0.806 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.538 4.158 -2.019 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.587 5.372 -1.312 1.00 1.00 H new ATOM 0 HG21 ILE X 51 92.672 3.224 -0.283 1.00 1.00 H new ATOM 0 HG22 ILE X 51 91.636 4.635 0.038 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.235 4.327 -1.609 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.452 3.094 -0.858 1.00 1.00 H new ATOM 0 HD12 ILE X 51 95.986 3.898 0.660 1.00 1.00 H new ATOM 0 HD13 ILE X 51 94.921 2.666 -0.058 1.00 1.00 H new ATOM 855 N ASP X 52 91.264 7.632 -0.724 1.00 1.00 N ATOM 856 CA ASP X 52 90.007 8.141 -0.188 1.00 1.00 C ATOM 857 C ASP X 52 89.153 7.006 0.357 1.00 1.00 C ATOM 858 O ASP X 52 88.496 7.149 1.388 1.00 1.00 O ATOM 859 CB ASP X 52 89.238 8.891 -1.277 1.00 1.00 C ATOM 860 CG ASP X 52 87.880 9.332 -0.745 1.00 1.00 C ATOM 861 OD1 ASP X 52 87.631 9.127 0.431 1.00 1.00 O ATOM 862 OD2 ASP X 52 87.103 9.860 -1.525 1.00 1.00 O ATOM 0 H ASP X 52 91.382 7.766 -1.728 1.00 1.00 H new ATOM 0 HA ASP X 52 90.236 8.826 0.629 1.00 1.00 H new ATOM 0 HB2 ASP X 52 89.809 9.760 -1.605 1.00 1.00 H new ATOM 0 HB3 ASP X 52 89.106 8.249 -2.148 1.00 1.00 H new ATOM 867 N ILE X 53 89.164 5.883 -0.343 1.00 1.00 N ATOM 868 CA ILE X 53 88.384 4.732 0.079 1.00 1.00 C ATOM 869 C ILE X 53 88.788 4.286 1.475 1.00 1.00 C ATOM 870 O ILE X 53 87.978 3.738 2.213 1.00 1.00 O ATOM 871 CB ILE X 53 88.588 3.581 -0.906 1.00 1.00 C ATOM 872 CG1 ILE X 53 87.876 3.917 -2.210 1.00 1.00 C ATOM 873 CG2 ILE X 53 88.010 2.291 -0.330 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.261 2.910 -3.292 1.00 1.00 C ATOM 0 H ILE X 53 89.700 5.745 -1.200 1.00 1.00 H new ATOM 0 HA ILE X 53 87.332 5.018 0.098 1.00 1.00 H new ATOM 0 HB ILE X 53 89.654 3.441 -1.086 1.00 1.00 H new ATOM 0 HG12 ILE X 53 86.797 3.904 -2.058 1.00 1.00 H new ATOM 0 HG13 ILE X 53 88.141 4.925 -2.529 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.160 1.477 -1.039 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.513 2.054 0.607 1.00 1.00 H new ATOM 0 HG23 ILE X 53 86.943 2.420 -0.147 1.00 1.00 H new ATOM 0 HD11 ILE X 53 87.747 3.159 -4.220 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.338 2.944 -3.454 1.00 1.00 H new ATOM 0 HD13 ILE X 53 87.973 1.908 -2.975 1.00 1.00 H new ATOM 886 N LYS X 54 90.038 4.533 1.838 1.00 1.00 N ATOM 887 CA LYS X 54 90.526 4.122 3.146 1.00 1.00 C ATOM 888 C LYS X 54 89.547 4.545 4.232 1.00 1.00 C ATOM 889 O LYS X 54 89.276 3.783 5.161 1.00 1.00 O ATOM 890 CB LYS X 54 91.895 4.756 3.404 1.00 1.00 C ATOM 891 CG LYS X 54 92.477 4.218 4.710 1.00 1.00 C ATOM 892 CD LYS X 54 93.879 4.794 4.912 1.00 1.00 C ATOM 893 CE LYS X 54 94.478 4.240 6.205 1.00 1.00 C ATOM 894 NZ LYS X 54 95.859 4.771 6.382 1.00 1.00 N ATOM 0 H LYS X 54 90.725 5.010 1.254 1.00 1.00 H new ATOM 0 HA LYS X 54 90.620 3.036 3.165 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.570 4.536 2.577 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.799 5.840 3.457 1.00 1.00 H new ATOM 0 HG2 LYS X 54 91.835 4.491 5.548 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.519 3.129 4.682 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.515 4.536 4.065 1.00 1.00 H new ATOM 0 HD3 LYS X 54 93.833 5.882 4.957 1.00 1.00 H new ATOM 0 HE2 LYS X 54 93.857 4.522 7.056 1.00 1.00 H new ATOM 0 HE3 LYS X 54 94.498 3.151 6.171 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 96.266 4.394 7.262 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.448 4.481 5.576 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 95.828 5.809 6.432 1.00 1.00 H new ATOM 908 N ARG X 55 88.997 5.740 4.102 1.00 1.00 N ATOM 909 CA ARG X 55 88.027 6.218 5.075 1.00 1.00 C ATOM 910 C ARG X 55 86.754 5.373 5.028 1.00 1.00 C ATOM 911 O ARG X 55 86.167 5.065 6.068 1.00 1.00 O ATOM 912 CB ARG X 55 87.684 7.680 4.799 1.00 1.00 C ATOM 913 CG ARG X 55 88.878 8.557 5.174 1.00 1.00 C ATOM 914 CD ARG X 55 88.568 10.013 4.831 1.00 1.00 C ATOM 915 NE ARG X 55 89.673 10.871 5.238 1.00 1.00 N ATOM 916 CZ ARG X 55 89.728 11.388 6.461 1.00 1.00 C ATOM 917 NH1 ARG X 55 88.782 11.131 7.321 1.00 1.00 N ATOM 918 NH2 ARG X 55 90.729 12.153 6.802 1.00 1.00 N ATOM 0 H ARG X 55 89.201 6.390 3.343 1.00 1.00 H new ATOM 0 HA ARG X 55 88.468 6.132 6.068 1.00 1.00 H new ATOM 0 HB2 ARG X 55 87.435 7.815 3.746 1.00 1.00 H new ATOM 0 HB3 ARG X 55 86.806 7.975 5.374 1.00 1.00 H new ATOM 0 HG2 ARG X 55 89.093 8.461 6.238 1.00 1.00 H new ATOM 0 HG3 ARG X 55 89.768 8.227 4.638 1.00 1.00 H new ATOM 0 HD2 ARG X 55 88.396 10.113 3.759 1.00 1.00 H new ATOM 0 HD3 ARG X 55 87.652 10.325 5.332 1.00 1.00 H new ATOM 0 HE ARG X 55 90.418 11.079 4.572 1.00 1.00 H new ATOM 0 HH11 ARG X 55 88.000 10.533 7.055 1.00 1.00 H new ATOM 0 HH12 ARG X 55 88.824 11.528 8.260 1.00 1.00 H new ATOM 0 HH21 ARG X 55 91.469 12.354 6.130 1.00 1.00 H new ATOM 0 HH22 ARG X 55 90.771 12.550 7.741 1.00 1.00 H new ATOM 932 N TRP X 56 86.327 5.000 3.820 1.00 1.00 N ATOM 933 CA TRP X 56 85.119 4.197 3.674 1.00 1.00 C ATOM 934 C TRP X 56 85.290 2.833 4.344 1.00 1.00 C ATOM 935 O TRP X 56 84.461 2.411 5.152 1.00 1.00 O ATOM 936 CB TRP X 56 84.793 4.013 2.186 1.00 1.00 C ATOM 937 CG TRP X 56 83.705 2.994 2.019 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.758 2.713 2.943 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.434 2.130 0.878 1.00 1.00 C ATOM 940 NE1 TRP X 56 81.923 1.730 2.442 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.299 1.338 1.172 1.00 1.00 C ATOM 942 CE3 TRP X 56 84.057 1.958 -0.372 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.800 0.407 0.260 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.557 1.022 -1.292 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.430 0.249 -0.977 1.00 1.00 C ATOM 0 H TRP X 56 86.793 5.238 2.944 1.00 1.00 H new ATOM 0 HA TRP X 56 84.296 4.718 4.162 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.481 4.964 1.754 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.685 3.695 1.647 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.668 3.179 3.913 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.127 1.342 2.949 1.00 1.00 H new ATOM 0 HE3 TRP X 56 84.925 2.549 -0.625 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 80.933 -0.187 0.509 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 84.043 0.897 -2.248 1.00 1.00 H new ATOM 0 HH2 TRP X 56 82.050 -0.468 -1.690 1.00 1.00 H new ATOM 956 N ARG X 57 86.378 2.148 4.011 1.00 1.00 N ATOM 957 CA ARG X 57 86.643 0.839 4.592 1.00 1.00 C ATOM 958 C ARG X 57 86.841 0.945 6.102 1.00 1.00 C ATOM 959 O ARG X 57 86.511 0.020 6.838 1.00 1.00 O ATOM 960 CB ARG X 57 87.880 0.204 3.958 1.00 1.00 C ATOM 961 CG ARG X 57 87.918 0.514 2.462 1.00 1.00 C ATOM 962 CD ARG X 57 86.588 0.149 1.799 1.00 1.00 C ATOM 963 NE ARG X 57 86.761 0.000 0.359 1.00 1.00 N ATOM 964 CZ ARG X 57 85.809 -0.541 -0.395 1.00 1.00 C ATOM 965 NH1 ARG X 57 84.701 -0.955 0.154 1.00 1.00 N ATOM 966 NH2 ARG X 57 85.984 -0.658 -1.683 1.00 1.00 N ATOM 0 H ARG X 57 87.083 2.473 3.349 1.00 1.00 H new ATOM 0 HA ARG X 57 85.778 0.207 4.392 1.00 1.00 H new ATOM 0 HB2 ARG X 57 88.781 0.584 4.439 1.00 1.00 H new ATOM 0 HB3 ARG X 57 87.866 -0.875 4.114 1.00 1.00 H new ATOM 0 HG2 ARG X 57 88.127 1.573 2.310 1.00 1.00 H new ATOM 0 HG3 ARG X 57 88.729 -0.041 1.991 1.00 1.00 H new ATOM 0 HD2 ARG X 57 86.206 -0.779 2.224 1.00 1.00 H new ATOM 0 HD3 ARG X 57 85.848 0.922 2.005 1.00 1.00 H new ATOM 0 HE ARG X 57 87.627 0.316 -0.077 1.00 1.00 H new ATOM 0 HH11 ARG X 57 84.565 -0.864 1.161 1.00 1.00 H new ATOM 0 HH12 ARG X 57 83.970 -1.370 -0.423 1.00 1.00 H new ATOM 0 HH21 ARG X 57 86.851 -0.334 -2.111 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.253 -1.073 -2.261 1.00 1.00 H new ATOM 980 N ARG X 58 87.389 2.067 6.561 1.00 1.00 N ATOM 981 CA ARG X 58 87.625 2.253 7.994 1.00 1.00 C ATOM 982 C ARG X 58 86.327 2.145 8.781 1.00 1.00 C ATOM 983 O ARG X 58 86.272 1.474 9.811 1.00 1.00 O ATOM 984 CB ARG X 58 88.247 3.624 8.263 1.00 1.00 C ATOM 985 CG ARG X 58 89.771 3.521 8.261 1.00 1.00 C ATOM 986 CD ARG X 58 90.363 4.899 8.549 1.00 1.00 C ATOM 987 NE ARG X 58 91.818 4.831 8.553 1.00 1.00 N ATOM 988 CZ ARG X 58 92.499 4.556 9.662 1.00 1.00 C ATOM 989 NH1 ARG X 58 91.865 4.353 10.784 1.00 1.00 N ATOM 990 NH2 ARG X 58 93.801 4.489 9.627 1.00 1.00 N ATOM 0 H ARG X 58 87.675 2.851 5.974 1.00 1.00 H new ATOM 0 HA ARG X 58 88.308 1.467 8.315 1.00 1.00 H new ATOM 0 HB2 ARG X 58 87.922 4.334 7.503 1.00 1.00 H new ATOM 0 HB3 ARG X 58 87.902 4.006 9.224 1.00 1.00 H new ATOM 0 HG2 ARG X 58 90.101 2.805 9.014 1.00 1.00 H new ATOM 0 HG3 ARG X 58 90.122 3.154 7.296 1.00 1.00 H new ATOM 0 HD2 ARG X 58 90.027 5.612 7.796 1.00 1.00 H new ATOM 0 HD3 ARG X 58 90.006 5.262 9.513 1.00 1.00 H new ATOM 0 HE ARG X 58 92.327 4.998 7.685 1.00 1.00 H new ATOM 0 HH11 ARG X 58 90.847 4.405 10.811 1.00 1.00 H new ATOM 0 HH12 ARG X 58 92.388 4.142 11.634 1.00 1.00 H new ATOM 0 HH21 ARG X 58 94.296 4.647 8.750 1.00 1.00 H new ATOM 0 HH22 ARG X 58 94.324 4.278 10.477 1.00 1.00 H new ATOM 1004 N VAL X 59 85.285 2.808 8.299 1.00 1.00 N ATOM 1005 CA VAL X 59 83.996 2.771 8.980 1.00 1.00 C ATOM 1006 C VAL X 59 83.449 1.353 8.975 1.00 1.00 C ATOM 1007 O VAL X 59 82.936 0.870 9.982 1.00 1.00 O ATOM 1008 CB VAL X 59 83.007 3.712 8.284 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.672 3.713 9.034 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.580 5.131 8.268 1.00 1.00 C ATOM 0 H VAL X 59 85.304 3.372 7.449 1.00 1.00 H new ATOM 0 HA VAL X 59 84.131 3.098 10.011 1.00 1.00 H new ATOM 0 HB VAL X 59 82.845 3.369 7.262 1.00 1.00 H new ATOM 0 HG11 VAL X 59 80.974 4.384 8.534 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.260 2.704 9.045 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.830 4.052 10.058 1.00 1.00 H new ATOM 0 HG21 VAL X 59 82.877 5.802 7.773 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.744 5.469 9.291 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.527 5.135 7.728 1.00 1.00 H new ATOM 1020 N GLY X 60 83.560 0.694 7.829 1.00 1.00 N ATOM 1021 CA GLY X 60 83.067 -0.668 7.690 1.00 1.00 C ATOM 1022 C GLY X 60 83.831 -1.631 8.584 1.00 1.00 C ATOM 1023 O GLY X 60 83.229 -2.435 9.281 1.00 1.00 O ATOM 0 H GLY X 60 83.985 1.079 6.986 1.00 1.00 H new ATOM 0 HA2 GLY X 60 82.007 -0.700 7.941 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.158 -0.985 6.651 1.00 1.00 H new ATOM 1027 N ASP X 61 85.154 -1.550 8.554 1.00 1.00 N ATOM 1028 CA ASP X 61 85.982 -2.436 9.362 1.00 1.00 C ATOM 1029 C ASP X 61 85.728 -2.222 10.850 1.00 1.00 C ATOM 1030 O ASP X 61 85.664 -3.180 11.622 1.00 1.00 O ATOM 1031 CB ASP X 61 87.461 -2.179 9.057 1.00 1.00 C ATOM 1032 CG ASP X 61 87.898 -2.982 7.834 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.500 -4.131 7.729 1.00 1.00 O ATOM 1034 OD2 ASP X 61 88.629 -2.437 7.024 1.00 1.00 O ATOM 0 H ASP X 61 85.675 -0.884 7.983 1.00 1.00 H new ATOM 0 HA ASP X 61 85.723 -3.465 9.112 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.623 -1.116 8.879 1.00 1.00 H new ATOM 0 HB3 ASP X 61 88.070 -2.455 9.918 1.00 1.00 H new ATOM 1039 N CYS X 62 85.583 -0.964 11.250 1.00 1.00 N ATOM 1040 CA CYS X 62 85.340 -0.650 12.658 1.00 1.00 C ATOM 1041 C CYS X 62 83.967 -1.157 13.098 1.00 1.00 C ATOM 1042 O CYS X 62 83.841 -1.976 14.023 1.00 1.00 O ATOM 1043 CB CYS X 62 85.408 0.864 12.870 1.00 1.00 C ATOM 1044 SG CYS X 62 87.048 1.466 12.395 1.00 1.00 S ATOM 0 H CYS X 62 85.628 -0.154 10.632 1.00 1.00 H new ATOM 0 HA CYS X 62 86.107 -1.144 13.255 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.640 1.360 12.276 1.00 1.00 H new ATOM 0 HB3 CYS X 62 85.208 1.105 13.914 1.00 1.00 H new ATOM 0 HG CYS X 62 87.072 1.696 11.116 1.00 1.00 H new ATOM 1050 N PHE X 63 82.936 -0.675 12.423 1.00 1.00 N ATOM 1051 CA PHE X 63 81.585 -1.085 12.746 1.00 1.00 C ATOM 1052 C PHE X 63 81.442 -2.589 12.589 1.00 1.00 C ATOM 1053 O PHE X 63 80.803 -3.239 13.405 1.00 1.00 O ATOM 1054 CB PHE X 63 80.579 -0.376 11.844 1.00 1.00 C ATOM 1055 CG PHE X 63 80.116 0.897 12.513 1.00 1.00 C ATOM 1056 CD1 PHE X 63 79.075 0.848 13.448 1.00 1.00 C ATOM 1057 CD2 PHE X 63 80.718 2.121 12.199 1.00 1.00 C ATOM 1058 CE1 PHE X 63 78.636 2.023 14.070 1.00 1.00 C ATOM 1059 CE2 PHE X 63 80.279 3.296 12.821 1.00 1.00 C ATOM 1060 CZ PHE X 63 79.238 3.248 13.756 1.00 1.00 C ATOM 0 H PHE X 63 83.010 -0.006 11.656 1.00 1.00 H new ATOM 0 HA PHE X 63 81.383 -0.811 13.781 1.00 1.00 H new ATOM 0 HB2 PHE X 63 81.035 -0.149 10.880 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.727 -1.027 11.648 1.00 1.00 H new ATOM 0 HD1 PHE X 63 78.610 -0.097 13.690 1.00 1.00 H new ATOM 0 HD2 PHE X 63 81.521 2.159 11.477 1.00 1.00 H new ATOM 0 HE1 PHE X 63 77.833 1.985 14.792 1.00 1.00 H new ATOM 0 HE2 PHE X 63 80.744 4.240 12.579 1.00 1.00 H new ATOM 0 HZ PHE X 63 78.899 4.155 14.235 1.00 1.00 H new ATOM 1070 N GLN X 64 82.043 -3.134 11.540 1.00 1.00 N ATOM 1071 CA GLN X 64 81.974 -4.566 11.288 1.00 1.00 C ATOM 1072 C GLN X 64 82.421 -5.348 12.512 1.00 1.00 C ATOM 1073 O GLN X 64 81.858 -6.394 12.824 1.00 1.00 O ATOM 1074 CB GLN X 64 82.869 -4.937 10.104 1.00 1.00 C ATOM 1075 CG GLN X 64 83.052 -6.452 10.054 1.00 1.00 C ATOM 1076 CD GLN X 64 84.303 -6.848 10.831 1.00 1.00 C ATOM 1077 OE1 GLN X 64 84.237 -7.687 11.730 1.00 1.00 O ATOM 1078 NE2 GLN X 64 85.445 -6.293 10.535 1.00 1.00 N ATOM 0 H GLN X 64 82.582 -2.608 10.852 1.00 1.00 H new ATOM 0 HA GLN X 64 80.939 -4.819 11.059 1.00 1.00 H new ATOM 0 HB2 GLN X 64 82.424 -4.584 9.174 1.00 1.00 H new ATOM 0 HB3 GLN X 64 83.838 -4.447 10.200 1.00 1.00 H new ATOM 0 HG2 GLN X 64 82.178 -6.947 10.477 1.00 1.00 H new ATOM 0 HG3 GLN X 64 83.136 -6.783 9.019 1.00 1.00 H new ATOM 0 HE21 GLN X 64 85.497 -5.598 9.790 1.00 1.00 H new ATOM 0 HE22 GLN X 64 86.287 -6.553 11.049 1.00 1.00 H new ATOM 1087 N ASP X 65 83.437 -4.847 13.198 1.00 1.00 N ATOM 1088 CA ASP X 65 83.936 -5.534 14.380 1.00 1.00 C ATOM 1089 C ASP X 65 82.821 -5.664 15.407 1.00 1.00 C ATOM 1090 O ASP X 65 82.587 -6.741 15.955 1.00 1.00 O ATOM 1091 CB ASP X 65 85.113 -4.764 14.976 1.00 1.00 C ATOM 1092 CG ASP X 65 85.843 -5.622 16.005 1.00 1.00 C ATOM 1093 OD1 ASP X 65 85.190 -6.410 16.668 1.00 1.00 O ATOM 1094 OD2 ASP X 65 87.050 -5.477 16.110 1.00 1.00 O ATOM 0 H ASP X 65 83.925 -3.983 12.963 1.00 1.00 H new ATOM 0 HA ASP X 65 84.277 -6.530 14.097 1.00 1.00 H new ATOM 0 HB2 ASP X 65 85.802 -4.470 14.184 1.00 1.00 H new ATOM 0 HB3 ASP X 65 84.756 -3.847 15.445 1.00 1.00 H new ATOM 1099 N TYR X 66 82.126 -4.562 15.652 1.00 1.00 N ATOM 1100 CA TYR X 66 81.018 -4.569 16.610 1.00 1.00 C ATOM 1101 C TYR X 66 79.780 -5.283 16.054 1.00 1.00 C ATOM 1102 O TYR X 66 79.135 -6.061 16.754 1.00 1.00 O ATOM 1103 CB TYR X 66 80.664 -3.138 16.998 1.00 1.00 C ATOM 1104 CG TYR X 66 79.207 -3.063 17.374 1.00 1.00 C ATOM 1105 CD1 TYR X 66 78.755 -3.630 18.571 1.00 1.00 C ATOM 1106 CD2 TYR X 66 78.304 -2.419 16.520 1.00 1.00 C ATOM 1107 CE1 TYR X 66 77.400 -3.555 18.914 1.00 1.00 C ATOM 1108 CE2 TYR X 66 76.949 -2.344 16.863 1.00 1.00 C ATOM 1109 CZ TYR X 66 76.497 -2.912 18.060 1.00 1.00 C ATOM 1110 OH TYR X 66 75.161 -2.838 18.397 1.00 1.00 O ATOM 0 H TYR X 66 82.303 -3.660 15.210 1.00 1.00 H new ATOM 0 HA TYR X 66 81.345 -5.121 17.491 1.00 1.00 H new ATOM 0 HB2 TYR X 66 81.283 -2.813 17.834 1.00 1.00 H new ATOM 0 HB3 TYR X 66 80.871 -2.463 16.167 1.00 1.00 H new ATOM 0 HD1 TYR X 66 79.452 -4.126 19.230 1.00 1.00 H new ATOM 0 HD2 TYR X 66 78.653 -1.980 15.597 1.00 1.00 H new ATOM 0 HE1 TYR X 66 77.052 -3.993 19.838 1.00 1.00 H new ATOM 0 HE2 TYR X 66 76.252 -1.848 16.204 1.00 1.00 H new ATOM 0 HH TYR X 66 74.673 -2.358 17.696 1.00 1.00 H new ATOM 1120 N TYR X 67 79.449 -5.001 14.799 1.00 1.00 N ATOM 1121 CA TYR X 67 78.283 -5.602 14.157 1.00 1.00 C ATOM 1122 C TYR X 67 78.400 -7.121 14.093 1.00 1.00 C ATOM 1123 O TYR X 67 77.456 -7.836 14.433 1.00 1.00 O ATOM 1124 CB TYR X 67 78.131 -5.041 12.738 1.00 1.00 C ATOM 1125 CG TYR X 67 76.770 -4.400 12.583 1.00 1.00 C ATOM 1126 CD1 TYR X 67 76.389 -3.337 13.412 1.00 1.00 C ATOM 1127 CD2 TYR X 67 75.886 -4.881 11.611 1.00 1.00 C ATOM 1128 CE1 TYR X 67 75.123 -2.758 13.268 1.00 1.00 C ATOM 1129 CE2 TYR X 67 74.620 -4.301 11.467 1.00 1.00 C ATOM 1130 CZ TYR X 67 74.239 -3.238 12.295 1.00 1.00 C ATOM 1131 OH TYR X 67 72.991 -2.665 12.153 1.00 1.00 O ATOM 0 H TYR X 67 79.972 -4.359 14.204 1.00 1.00 H new ATOM 0 HA TYR X 67 77.405 -5.355 14.754 1.00 1.00 H new ATOM 0 HB2 TYR X 67 78.913 -4.307 12.542 1.00 1.00 H new ATOM 0 HB3 TYR X 67 78.252 -5.840 12.006 1.00 1.00 H new ATOM 0 HD1 TYR X 67 77.072 -2.965 14.162 1.00 1.00 H new ATOM 0 HD2 TYR X 67 76.180 -5.700 10.972 1.00 1.00 H new ATOM 0 HE1 TYR X 67 74.828 -1.940 13.908 1.00 1.00 H new ATOM 0 HE2 TYR X 67 73.937 -4.673 10.717 1.00 1.00 H new ATOM 0 HH TYR X 67 72.504 -3.116 11.432 1.00 1.00 H new ATOM 1141 N ASN X 68 79.553 -7.610 13.654 1.00 1.00 N ATOM 1142 CA ASN X 68 79.764 -9.044 13.552 1.00 1.00 C ATOM 1143 C ASN X 68 79.711 -9.687 14.930 1.00 1.00 C ATOM 1144 O ASN X 68 79.115 -10.748 15.109 1.00 1.00 O ATOM 1145 CB ASN X 68 81.119 -9.323 12.910 1.00 1.00 C ATOM 1146 CG ASN X 68 81.034 -9.110 11.403 1.00 1.00 C ATOM 1147 OD1 ASN X 68 81.861 -9.635 10.656 1.00 1.00 O ATOM 1148 ND2 ASN X 68 80.084 -8.365 10.907 1.00 1.00 N ATOM 0 H ASN X 68 80.348 -7.039 13.366 1.00 1.00 H new ATOM 0 HA ASN X 68 78.974 -9.469 12.933 1.00 1.00 H new ATOM 0 HB2 ASN X 68 81.876 -8.665 13.337 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.429 -10.346 13.124 1.00 1.00 H new ATOM 0 HD21 ASN X 68 80.026 -8.217 9.900 1.00 1.00 H new ATOM 0 HD22 ASN X 68 79.400 -7.931 11.527 1.00 1.00 H new ATOM 1155 N THR X 69 80.332 -9.031 15.905 1.00 1.00 N ATOM 1156 CA THR X 69 80.341 -9.545 17.267 1.00 1.00 C ATOM 1157 C THR X 69 78.920 -9.586 17.816 1.00 1.00 C ATOM 1158 O THR X 69 78.507 -10.570 18.431 1.00 1.00 O ATOM 1159 CB THR X 69 81.215 -8.660 18.158 1.00 1.00 C ATOM 1160 OG1 THR X 69 82.557 -8.709 17.695 1.00 1.00 O ATOM 1161 CG2 THR X 69 81.149 -9.164 19.600 1.00 1.00 C ATOM 0 H THR X 69 80.831 -8.150 15.778 1.00 1.00 H new ATOM 0 HA THR X 69 80.751 -10.555 17.259 1.00 1.00 H new ATOM 0 HB THR X 69 80.855 -7.632 18.120 1.00 1.00 H new ATOM 0 HG1 THR X 69 82.676 -8.062 16.968 1.00 1.00 H new ATOM 0 HG21 THR X 69 81.772 -8.533 20.235 1.00 1.00 H new ATOM 0 HG22 THR X 69 80.118 -9.127 19.952 1.00 1.00 H new ATOM 0 HG23 THR X 69 81.510 -10.191 19.643 1.00 1.00 H new ATOM 1169 N PHE X 70 78.176 -8.509 17.589 1.00 1.00 N ATOM 1170 CA PHE X 70 76.800 -8.426 18.066 1.00 1.00 C ATOM 1171 C PHE X 70 75.949 -9.530 17.437 1.00 1.00 C ATOM 1172 O PHE X 70 75.151 -10.170 18.120 1.00 1.00 O ATOM 1173 CB PHE X 70 76.202 -7.055 17.726 1.00 1.00 C ATOM 1174 CG PHE X 70 74.990 -6.800 18.596 1.00 1.00 C ATOM 1175 CD1 PHE X 70 75.153 -6.607 19.973 1.00 1.00 C ATOM 1176 CD2 PHE X 70 73.712 -6.754 18.029 1.00 1.00 C ATOM 1177 CE1 PHE X 70 74.037 -6.367 20.784 1.00 1.00 C ATOM 1178 CE2 PHE X 70 72.596 -6.513 18.839 1.00 1.00 C ATOM 1179 CZ PHE X 70 72.758 -6.320 20.216 1.00 1.00 C ATOM 0 H PHE X 70 78.500 -7.686 17.081 1.00 1.00 H new ATOM 0 HA PHE X 70 76.803 -8.556 19.148 1.00 1.00 H new ATOM 0 HB2 PHE X 70 76.946 -6.274 17.883 1.00 1.00 H new ATOM 0 HB3 PHE X 70 75.921 -7.021 16.674 1.00 1.00 H new ATOM 0 HD1 PHE X 70 76.140 -6.643 20.410 1.00 1.00 H new ATOM 0 HD2 PHE X 70 73.586 -6.904 16.967 1.00 1.00 H new ATOM 0 HE1 PHE X 70 74.163 -6.218 21.846 1.00 1.00 H new ATOM 0 HE2 PHE X 70 71.609 -6.476 18.401 1.00 1.00 H new ATOM 0 HZ PHE X 70 71.896 -6.135 20.840 1.00 1.00 H new ATOM 1189 N GLY X 71 76.113 -9.740 16.129 1.00 1.00 N ATOM 1190 CA GLY X 71 75.340 -10.759 15.426 1.00 1.00 C ATOM 1191 C GLY X 71 75.268 -10.458 13.931 1.00 1.00 C ATOM 1192 O GLY X 71 75.841 -11.181 13.117 1.00 1.00 O ATOM 0 H GLY X 71 76.768 -9.223 15.543 1.00 1.00 H new ATOM 0 HA2 GLY X 71 75.795 -11.737 15.582 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.333 -10.806 15.840 1.00 1.00 H new ATOM 1196 N PRO X 72 74.579 -9.407 13.559 1.00 1.00 N ATOM 1197 CA PRO X 72 74.432 -8.997 12.133 1.00 1.00 C ATOM 1198 C PRO X 72 75.770 -8.915 11.410 1.00 1.00 C ATOM 1199 O PRO X 72 76.594 -8.043 11.684 1.00 1.00 O ATOM 1200 CB PRO X 72 73.761 -7.619 12.207 1.00 1.00 C ATOM 1201 CG PRO X 72 73.830 -7.205 13.644 1.00 1.00 C ATOM 1202 CD PRO X 72 73.867 -8.490 14.451 1.00 1.00 C ATOM 0 HA PRO X 72 73.852 -9.724 11.564 1.00 1.00 H new ATOM 0 HB2 PRO X 72 74.274 -6.900 11.568 1.00 1.00 H new ATOM 0 HB3 PRO X 72 72.728 -7.669 11.864 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.717 -6.600 13.833 1.00 1.00 H new ATOM 0 HG3 PRO X 72 72.966 -6.598 13.917 1.00 1.00 H new ATOM 0 HD2 PRO X 72 74.390 -8.359 15.398 1.00 1.00 H new ATOM 0 HD3 PRO X 72 72.865 -8.850 14.687 1.00 1.00 H new ATOM 1210 N GLU X 73 75.961 -9.842 10.484 1.00 1.00 N ATOM 1211 CA GLU X 73 77.180 -9.911 9.695 1.00 1.00 C ATOM 1212 C GLU X 73 77.049 -9.088 8.420 1.00 1.00 C ATOM 1213 O GLU X 73 77.936 -9.130 7.567 1.00 1.00 O ATOM 1214 CB GLU X 73 77.496 -11.371 9.364 1.00 1.00 C ATOM 1215 CG GLU X 73 76.383 -11.959 8.494 1.00 1.00 C ATOM 1216 CD GLU X 73 76.659 -13.434 8.224 1.00 1.00 C ATOM 1217 OE1 GLU X 73 77.739 -13.887 8.567 1.00 1.00 O ATOM 1218 OE2 GLU X 73 75.783 -14.092 7.687 1.00 1.00 O ATOM 0 H GLU X 73 75.278 -10.565 10.259 1.00 1.00 H new ATOM 0 HA GLU X 73 78.000 -9.492 10.278 1.00 1.00 H new ATOM 0 HB2 GLU X 73 78.451 -11.437 8.842 1.00 1.00 H new ATOM 0 HB3 GLU X 73 77.595 -11.948 10.283 1.00 1.00 H new ATOM 0 HG2 GLU X 73 75.421 -11.846 8.994 1.00 1.00 H new ATOM 0 HG3 GLU X 73 76.319 -11.414 7.552 1.00 1.00 H new ATOM 1225 N LYS X 74 75.928 -8.359 8.294 1.00 1.00 N ATOM 1226 CA LYS X 74 75.672 -7.534 7.117 1.00 1.00 C ATOM 1227 C LYS X 74 76.978 -7.034 6.522 1.00 1.00 C ATOM 1228 O LYS X 74 77.121 -6.945 5.304 1.00 1.00 O ATOM 1229 CB LYS X 74 74.778 -6.346 7.504 1.00 1.00 C ATOM 1230 CG LYS X 74 74.684 -5.358 6.335 1.00 1.00 C ATOM 1231 CD LYS X 74 73.744 -4.210 6.701 1.00 1.00 C ATOM 1232 CE LYS X 74 73.789 -3.159 5.592 1.00 1.00 C ATOM 1233 NZ LYS X 74 73.184 -1.887 6.080 1.00 1.00 N ATOM 0 H LYS X 74 75.189 -8.329 8.996 1.00 1.00 H new ATOM 0 HA LYS X 74 75.162 -8.139 6.367 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.783 -6.701 7.772 1.00 1.00 H new ATOM 0 HB3 LYS X 74 75.185 -5.845 8.383 1.00 1.00 H new ATOM 0 HG2 LYS X 74 75.673 -4.968 6.096 1.00 1.00 H new ATOM 0 HG3 LYS X 74 74.319 -5.869 5.444 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.727 -4.581 6.827 1.00 1.00 H new ATOM 0 HD3 LYS X 74 74.042 -3.768 7.652 1.00 1.00 H new ATOM 0 HE2 LYS X 74 74.820 -2.987 5.282 1.00 1.00 H new ATOM 0 HE3 LYS X 74 73.248 -3.517 4.716 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 73.216 -1.174 5.323 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 72.195 -2.056 6.355 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 73.718 -1.542 6.903 1.00 1.00 H new ATOM 1247 N VAL X 75 77.929 -6.720 7.392 1.00 1.00 N ATOM 1248 CA VAL X 75 79.230 -6.243 6.948 1.00 1.00 C ATOM 1249 C VAL X 75 80.330 -7.196 7.430 1.00 1.00 C ATOM 1250 O VAL X 75 80.914 -6.988 8.492 1.00 1.00 O ATOM 1251 CB VAL X 75 79.489 -4.835 7.486 1.00 1.00 C ATOM 1252 CG1 VAL X 75 78.966 -3.801 6.485 1.00 1.00 C ATOM 1253 CG2 VAL X 75 78.778 -4.644 8.822 1.00 1.00 C ATOM 0 H VAL X 75 77.824 -6.787 8.404 1.00 1.00 H new ATOM 0 HA VAL X 75 79.238 -6.211 5.859 1.00 1.00 H new ATOM 0 HB VAL X 75 80.562 -4.703 7.628 1.00 1.00 H new ATOM 0 HG11 VAL X 75 79.151 -2.798 6.869 1.00 1.00 H new ATOM 0 HG12 VAL X 75 79.480 -3.925 5.532 1.00 1.00 H new ATOM 0 HG13 VAL X 75 77.895 -3.943 6.341 1.00 1.00 H new ATOM 0 HG21 VAL X 75 78.969 -3.638 9.196 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.705 -4.783 8.686 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.150 -5.375 9.540 1.00 1.00 H new ATOM 1263 N PRO X 76 80.611 -8.237 6.678 1.00 1.00 N ATOM 1264 CA PRO X 76 81.659 -9.247 7.037 1.00 1.00 C ATOM 1265 C PRO X 76 83.049 -8.634 7.195 1.00 1.00 C ATOM 1266 O PRO X 76 83.364 -7.614 6.585 1.00 1.00 O ATOM 1267 CB PRO X 76 81.646 -10.230 5.862 1.00 1.00 C ATOM 1268 CG PRO X 76 80.328 -10.037 5.192 1.00 1.00 C ATOM 1269 CD PRO X 76 79.953 -8.580 5.407 1.00 1.00 C ATOM 0 HA PRO X 76 81.443 -9.709 8.000 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.468 -10.030 5.175 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.763 -11.257 6.209 1.00 1.00 H new ATOM 0 HG2 PRO X 76 80.394 -10.269 4.129 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.574 -10.700 5.617 1.00 1.00 H new ATOM 0 HD2 PRO X 76 80.306 -7.950 4.590 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.873 -8.449 5.467 1.00 1.00 H new ATOM 1277 N VAL X 77 83.873 -9.272 8.027 1.00 1.00 N ATOM 1278 CA VAL X 77 85.233 -8.797 8.272 1.00 1.00 C ATOM 1279 C VAL X 77 86.093 -8.922 7.018 1.00 1.00 C ATOM 1280 O VAL X 77 87.050 -8.170 6.837 1.00 1.00 O ATOM 1281 CB VAL X 77 85.872 -9.593 9.413 1.00 1.00 C ATOM 1282 CG1 VAL X 77 85.992 -11.065 9.009 1.00 1.00 C ATOM 1283 CG2 VAL X 77 87.268 -9.033 9.707 1.00 1.00 C ATOM 0 H VAL X 77 83.622 -10.117 8.541 1.00 1.00 H new ATOM 0 HA VAL X 77 85.176 -7.744 8.549 1.00 1.00 H new ATOM 0 HB VAL X 77 85.249 -9.510 10.304 1.00 1.00 H new ATOM 0 HG11 VAL X 77 86.447 -11.630 9.823 1.00 1.00 H new ATOM 0 HG12 VAL X 77 85.001 -11.467 8.799 1.00 1.00 H new ATOM 0 HG13 VAL X 77 86.614 -11.148 8.118 1.00 1.00 H new ATOM 0 HG21 VAL X 77 87.724 -9.599 10.519 1.00 1.00 H new ATOM 0 HG22 VAL X 77 87.888 -9.115 8.815 1.00 1.00 H new ATOM 0 HG23 VAL X 77 87.186 -7.985 9.996 1.00 1.00 H new ATOM 1293 N THR X 78 85.750 -9.872 6.156 1.00 1.00 N ATOM 1294 CA THR X 78 86.503 -10.083 4.921 1.00 1.00 C ATOM 1295 C THR X 78 86.674 -8.768 4.156 1.00 1.00 C ATOM 1296 O THR X 78 87.380 -8.712 3.148 1.00 1.00 O ATOM 1297 CB THR X 78 85.782 -11.107 4.040 1.00 1.00 C ATOM 1298 OG1 THR X 78 84.449 -10.675 3.806 1.00 1.00 O ATOM 1299 CG2 THR X 78 85.762 -12.465 4.745 1.00 1.00 C ATOM 0 H THR X 78 84.961 -10.506 6.286 1.00 1.00 H new ATOM 0 HA THR X 78 87.492 -10.461 5.181 1.00 1.00 H new ATOM 0 HB THR X 78 86.306 -11.200 3.089 1.00 1.00 H new ATOM 0 HG1 THR X 78 83.988 -11.329 3.241 1.00 1.00 H new ATOM 0 HG21 THR X 78 85.249 -13.193 4.117 1.00 1.00 H new ATOM 0 HG22 THR X 78 86.785 -12.797 4.924 1.00 1.00 H new ATOM 0 HG23 THR X 78 85.238 -12.373 5.697 1.00 1.00 H new ATOM 1307 N ALA X 79 86.018 -7.718 4.641 1.00 1.00 N ATOM 1308 CA ALA X 79 86.088 -6.407 4.010 1.00 1.00 C ATOM 1309 C ALA X 79 87.517 -5.872 4.014 1.00 1.00 C ATOM 1310 O ALA X 79 87.970 -5.274 3.038 1.00 1.00 O ATOM 1311 CB ALA X 79 85.195 -5.437 4.775 1.00 1.00 C ATOM 0 H ALA X 79 85.429 -7.752 5.473 1.00 1.00 H new ATOM 0 HA ALA X 79 85.755 -6.503 2.977 1.00 1.00 H new ATOM 0 HB1 ALA X 79 85.243 -4.453 4.308 1.00 1.00 H new ATOM 0 HB2 ALA X 79 84.167 -5.798 4.757 1.00 1.00 H new ATOM 0 HB3 ALA X 79 85.536 -5.365 5.808 1.00 1.00 H new ATOM 1317 N PHE X 80 88.217 -6.088 5.119 1.00 1.00 N ATOM 1318 CA PHE X 80 89.588 -5.621 5.245 1.00 1.00 C ATOM 1319 C PHE X 80 90.476 -6.199 4.146 1.00 1.00 C ATOM 1320 O PHE X 80 91.212 -5.466 3.487 1.00 1.00 O ATOM 1321 CB PHE X 80 90.133 -6.021 6.612 1.00 1.00 C ATOM 1322 CG PHE X 80 91.599 -6.326 6.481 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.505 -5.319 6.126 1.00 1.00 C ATOM 1324 CD2 PHE X 80 92.055 -7.631 6.700 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.866 -5.617 5.992 1.00 1.00 C ATOM 1326 CE2 PHE X 80 93.416 -7.930 6.565 1.00 1.00 C ATOM 1327 CZ PHE X 80 94.321 -6.922 6.211 1.00 1.00 C ATOM 0 H PHE X 80 87.859 -6.581 5.937 1.00 1.00 H new ATOM 0 HA PHE X 80 89.592 -4.536 5.144 1.00 1.00 H new ATOM 0 HB2 PHE X 80 89.978 -5.216 7.330 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.599 -6.893 6.991 1.00 1.00 H new ATOM 0 HD1 PHE X 80 92.153 -4.312 5.956 1.00 1.00 H new ATOM 0 HD2 PHE X 80 91.356 -8.408 6.973 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.565 -4.840 5.720 1.00 1.00 H new ATOM 0 HE2 PHE X 80 93.768 -8.937 6.734 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.371 -7.152 6.107 1.00 1.00 H new ATOM 1337 N SER X 81 90.401 -7.510 3.947 1.00 1.00 N ATOM 1338 CA SER X 81 91.201 -8.163 2.912 1.00 1.00 C ATOM 1339 C SER X 81 90.808 -7.641 1.531 1.00 1.00 C ATOM 1340 O SER X 81 91.663 -7.355 0.682 1.00 1.00 O ATOM 1341 CB SER X 81 90.987 -9.673 2.970 1.00 1.00 C ATOM 1342 OG SER X 81 91.398 -10.152 4.244 1.00 1.00 O ATOM 0 H SER X 81 89.801 -8.138 4.482 1.00 1.00 H new ATOM 0 HA SER X 81 92.253 -7.939 3.088 1.00 1.00 H new ATOM 0 HB2 SER X 81 89.937 -9.911 2.800 1.00 1.00 H new ATOM 0 HB3 SER X 81 91.557 -10.164 2.182 1.00 1.00 H new ATOM 0 HG SER X 81 91.262 -11.121 4.289 1.00 1.00 H new ATOM 1348 N TYR X 82 89.503 -7.502 1.324 1.00 1.00 N ATOM 1349 CA TYR X 82 88.982 -7.001 0.062 1.00 1.00 C ATOM 1350 C TYR X 82 89.597 -5.637 -0.243 1.00 1.00 C ATOM 1351 O TYR X 82 90.021 -5.348 -1.371 1.00 1.00 O ATOM 1352 CB TYR X 82 87.451 -6.893 0.154 1.00 1.00 C ATOM 1353 CG TYR X 82 86.955 -5.852 -0.818 1.00 1.00 C ATOM 1354 CD1 TYR X 82 87.404 -5.878 -2.144 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.067 -4.855 -0.400 1.00 1.00 C ATOM 1356 CE1 TYR X 82 86.965 -4.906 -3.051 1.00 1.00 C ATOM 1357 CE2 TYR X 82 85.627 -3.883 -1.307 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.076 -3.909 -2.632 1.00 1.00 C ATOM 1359 OH TYR X 82 85.636 -2.952 -3.522 1.00 1.00 O ATOM 0 H TYR X 82 88.788 -7.730 2.015 1.00 1.00 H new ATOM 0 HA TYR X 82 89.242 -7.687 -0.744 1.00 1.00 H new ATOM 0 HB2 TYR X 82 86.995 -7.858 -0.068 1.00 1.00 H new ATOM 0 HB3 TYR X 82 87.156 -6.627 1.169 1.00 1.00 H new ATOM 0 HD1 TYR X 82 88.089 -6.648 -2.467 1.00 1.00 H new ATOM 0 HD2 TYR X 82 85.721 -4.835 0.623 1.00 1.00 H new ATOM 0 HE1 TYR X 82 87.312 -4.925 -4.074 1.00 1.00 H new ATOM 0 HE2 TYR X 82 84.941 -3.114 -0.984 1.00 1.00 H new ATOM 0 HH TYR X 82 84.659 -2.890 -3.480 1.00 1.00 H new ATOM 1369 N TRP X 83 89.661 -4.806 0.779 1.00 1.00 N ATOM 1370 CA TRP X 83 90.239 -3.487 0.634 1.00 1.00 C ATOM 1371 C TRP X 83 91.722 -3.585 0.279 1.00 1.00 C ATOM 1372 O TRP X 83 92.259 -2.723 -0.413 1.00 1.00 O ATOM 1373 CB TRP X 83 90.069 -2.688 1.919 1.00 1.00 C ATOM 1374 CG TRP X 83 90.867 -1.436 1.814 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.841 -0.588 0.762 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.803 -0.868 2.776 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.701 0.466 1.016 1.00 1.00 N ATOM 1378 CE2 TRP X 83 92.317 0.337 2.245 1.00 1.00 C ATOM 1379 CE3 TRP X 83 92.252 -1.278 4.045 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 93.243 1.110 2.947 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 93.184 -0.502 4.754 1.00 1.00 C ATOM 1382 CH2 TRP X 83 93.679 0.689 4.206 1.00 1.00 C ATOM 0 H TRP X 83 89.320 -5.021 1.716 1.00 1.00 H new ATOM 0 HA TRP X 83 89.717 -2.975 -0.174 1.00 1.00 H new ATOM 0 HB2 TRP X 83 89.017 -2.453 2.081 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.400 -3.276 2.775 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.246 -0.713 -0.131 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.860 1.243 0.374 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.878 -2.195 4.476 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 93.620 2.028 2.520 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 93.521 -0.825 5.728 1.00 1.00 H new ATOM 0 HH2 TRP X 83 94.396 1.280 4.756 1.00 1.00 H new ATOM 1393 N ASN X 84 92.383 -4.632 0.767 1.00 1.00 N ATOM 1394 CA ASN X 84 93.808 -4.803 0.500 1.00 1.00 C ATOM 1395 C ASN X 84 94.057 -4.808 -1.000 1.00 1.00 C ATOM 1396 O ASN X 84 94.988 -4.158 -1.488 1.00 1.00 O ATOM 1397 CB ASN X 84 94.293 -6.135 1.066 1.00 1.00 C ATOM 1398 CG ASN X 84 95.749 -6.026 1.502 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.537 -5.303 0.891 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.154 -6.706 2.540 1.00 1.00 N ATOM 0 H ASN X 84 91.963 -5.364 1.340 1.00 1.00 H new ATOM 0 HA ASN X 84 94.345 -3.979 0.970 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.673 -6.425 1.914 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.189 -6.917 0.314 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.125 -6.639 2.846 1.00 1.00 H new ATOM 0 HD22 ASN X 84 95.500 -7.304 3.045 1.00 1.00 H new ATOM 1407 N LEU X 85 93.220 -5.530 -1.736 1.00 1.00 N ATOM 1408 CA LEU X 85 93.383 -5.585 -3.178 1.00 1.00 C ATOM 1409 C LEU X 85 93.209 -4.192 -3.769 1.00 1.00 C ATOM 1410 O LEU X 85 93.938 -3.805 -4.679 1.00 1.00 O ATOM 1411 CB LEU X 85 92.377 -6.554 -3.807 1.00 1.00 C ATOM 1412 CG LEU X 85 92.903 -7.990 -3.711 1.00 1.00 C ATOM 1413 CD1 LEU X 85 94.117 -8.181 -4.629 1.00 1.00 C ATOM 1414 CD2 LEU X 85 93.316 -8.284 -2.265 1.00 1.00 C ATOM 0 H LEU X 85 92.440 -6.073 -1.366 1.00 1.00 H new ATOM 0 HA LEU X 85 94.387 -5.948 -3.399 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.416 -6.475 -3.298 1.00 1.00 H new ATOM 0 HB3 LEU X 85 92.208 -6.289 -4.851 1.00 1.00 H new ATOM 0 HG LEU X 85 92.113 -8.673 -4.022 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.477 -9.207 -4.548 1.00 1.00 H new ATOM 0 HD12 LEU X 85 93.829 -7.978 -5.660 1.00 1.00 H new ATOM 0 HD13 LEU X 85 94.909 -7.494 -4.332 1.00 1.00 H new ATOM 0 HD21 LEU X 85 93.691 -9.305 -2.194 1.00 1.00 H new ATOM 0 HD22 LEU X 85 94.099 -7.589 -1.962 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.453 -8.168 -1.609 1.00 1.00 H new ATOM 1426 N ILE X 86 92.246 -3.437 -3.247 1.00 1.00 N ATOM 1427 CA ILE X 86 92.009 -2.087 -3.743 1.00 1.00 C ATOM 1428 C ILE X 86 93.223 -1.193 -3.493 1.00 1.00 C ATOM 1429 O ILE X 86 93.609 -0.407 -4.356 1.00 1.00 O ATOM 1430 CB ILE X 86 90.805 -1.498 -3.040 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.565 -2.271 -3.436 1.00 1.00 C ATOM 1432 CG2 ILE X 86 90.620 -0.033 -3.437 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.410 -1.849 -2.537 1.00 1.00 C ATOM 0 H ILE X 86 91.626 -3.732 -2.492 1.00 1.00 H new ATOM 0 HA ILE X 86 91.830 -2.140 -4.817 1.00 1.00 H new ATOM 0 HB ILE X 86 90.963 -1.562 -1.963 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.319 -2.079 -4.480 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.743 -3.342 -3.342 1.00 1.00 H new ATOM 0 HG21 ILE X 86 89.750 0.376 -2.923 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.507 0.535 -3.157 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.470 0.036 -4.514 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.512 -2.401 -2.815 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.661 -2.063 -1.498 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.230 -0.780 -2.654 1.00 1.00 H new ATOM 1445 N LYS X 87 93.809 -1.300 -2.305 1.00 1.00 N ATOM 1446 CA LYS X 87 94.962 -0.473 -1.969 1.00 1.00 C ATOM 1447 C LYS X 87 96.000 -0.564 -3.064 1.00 1.00 C ATOM 1448 O LYS X 87 96.542 0.448 -3.511 1.00 1.00 O ATOM 1449 CB LYS X 87 95.580 -0.946 -0.656 1.00 1.00 C ATOM 1450 CG LYS X 87 94.636 -0.594 0.486 1.00 1.00 C ATOM 1451 CD LYS X 87 95.186 -1.143 1.810 1.00 1.00 C ATOM 1452 CE LYS X 87 96.286 -0.225 2.347 1.00 1.00 C ATOM 1453 NZ LYS X 87 96.608 -0.620 3.745 1.00 1.00 N ATOM 0 H LYS X 87 93.511 -1.940 -1.569 1.00 1.00 H new ATOM 0 HA LYS X 87 94.630 0.560 -1.865 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.752 -2.022 -0.686 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.550 -0.473 -0.503 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.519 0.488 0.552 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.647 -1.010 0.293 1.00 1.00 H new ATOM 0 HD2 LYS X 87 94.381 -1.224 2.541 1.00 1.00 H new ATOM 0 HD3 LYS X 87 95.582 -2.147 1.659 1.00 1.00 H new ATOM 0 HE2 LYS X 87 97.175 -0.297 1.721 1.00 1.00 H new ATOM 0 HE3 LYS X 87 95.958 0.814 2.316 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 97.454 -0.106 4.065 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 95.806 -0.387 4.365 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 96.789 -1.643 3.784 1.00 1.00 H new ATOM 1467 N GLU X 88 96.264 -1.777 -3.503 1.00 1.00 N ATOM 1468 CA GLU X 88 97.230 -1.988 -4.558 1.00 1.00 C ATOM 1469 C GLU X 88 96.728 -1.395 -5.872 1.00 1.00 C ATOM 1470 O GLU X 88 97.502 -0.839 -6.637 1.00 1.00 O ATOM 1471 CB GLU X 88 97.501 -3.484 -4.724 1.00 1.00 C ATOM 1472 CG GLU X 88 98.401 -3.972 -3.587 1.00 1.00 C ATOM 1473 CD GLU X 88 98.623 -5.475 -3.716 1.00 1.00 C ATOM 1474 OE1 GLU X 88 98.102 -6.049 -4.658 1.00 1.00 O ATOM 1475 OE2 GLU X 88 99.310 -6.029 -2.874 1.00 1.00 O ATOM 0 H GLU X 88 95.826 -2.627 -3.148 1.00 1.00 H new ATOM 0 HA GLU X 88 98.158 -1.485 -4.287 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.561 -4.037 -4.720 1.00 1.00 H new ATOM 0 HB3 GLU X 88 97.978 -3.673 -5.686 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.357 -3.450 -3.617 1.00 1.00 H new ATOM 0 HG3 GLU X 88 97.943 -3.744 -2.624 1.00 1.00 H new ATOM 1482 N LEU X 89 95.430 -1.510 -6.132 1.00 1.00 N ATOM 1483 CA LEU X 89 94.871 -0.978 -7.375 1.00 1.00 C ATOM 1484 C LEU X 89 95.035 0.536 -7.469 1.00 1.00 C ATOM 1485 O LEU X 89 95.478 1.060 -8.491 1.00 1.00 O ATOM 1486 CB LEU X 89 93.384 -1.341 -7.456 1.00 1.00 C ATOM 1487 CG LEU X 89 92.725 -0.673 -8.675 1.00 1.00 C ATOM 1488 CD1 LEU X 89 93.458 -1.071 -9.957 1.00 1.00 C ATOM 1489 CD2 LEU X 89 91.264 -1.118 -8.767 1.00 1.00 C ATOM 0 H LEU X 89 94.754 -1.958 -5.513 1.00 1.00 H new ATOM 0 HA LEU X 89 95.416 -1.422 -8.208 1.00 1.00 H new ATOM 0 HB2 LEU X 89 93.272 -2.423 -7.524 1.00 1.00 H new ATOM 0 HB3 LEU X 89 92.877 -1.025 -6.544 1.00 1.00 H new ATOM 0 HG LEU X 89 92.777 0.410 -8.559 1.00 1.00 H new ATOM 0 HD11 LEU X 89 92.982 -0.592 -10.812 1.00 1.00 H new ATOM 0 HD12 LEU X 89 94.498 -0.752 -9.895 1.00 1.00 H new ATOM 0 HD13 LEU X 89 93.417 -2.153 -10.079 1.00 1.00 H new ATOM 0 HD21 LEU X 89 90.794 -0.646 -9.630 1.00 1.00 H new ATOM 0 HD22 LEU X 89 91.220 -2.202 -8.877 1.00 1.00 H new ATOM 0 HD23 LEU X 89 90.736 -0.823 -7.860 1.00 1.00 H new ATOM 1501 N ILE X 90 94.662 1.232 -6.409 1.00 1.00 N ATOM 1502 CA ILE X 90 94.751 2.689 -6.384 1.00 1.00 C ATOM 1503 C ILE X 90 96.208 3.138 -6.348 1.00 1.00 C ATOM 1504 O ILE X 90 96.584 4.126 -6.979 1.00 1.00 O ATOM 1505 CB ILE X 90 93.984 3.233 -5.174 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.553 2.707 -5.215 1.00 1.00 C ATOM 1507 CG2 ILE X 90 93.929 4.765 -5.231 1.00 1.00 C ATOM 1508 CD1 ILE X 90 91.927 2.813 -3.832 1.00 1.00 C ATOM 0 H ILE X 90 94.294 0.816 -5.553 1.00 1.00 H new ATOM 0 HA ILE X 90 94.301 3.087 -7.293 1.00 1.00 H new ATOM 0 HB ILE X 90 94.490 2.914 -4.263 1.00 1.00 H new ATOM 0 HG12 ILE X 90 91.966 3.278 -5.935 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.546 1.669 -5.549 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.382 5.142 -4.367 1.00 1.00 H new ATOM 0 HG22 ILE X 90 94.942 5.166 -5.222 1.00 1.00 H new ATOM 0 HG23 ILE X 90 93.423 5.077 -6.145 1.00 1.00 H new ATOM 0 HD11 ILE X 90 90.905 2.436 -3.865 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.508 2.223 -3.123 1.00 1.00 H new ATOM 0 HD13 ILE X 90 91.919 3.856 -3.515 1.00 1.00 H new ATOM 1520 N ASP X 91 97.014 2.416 -5.586 1.00 1.00 N ATOM 1521 CA ASP X 91 98.430 2.750 -5.442 1.00 1.00 C ATOM 1522 C ASP X 91 99.137 2.733 -6.799 1.00 1.00 C ATOM 1523 O ASP X 91 99.949 3.610 -7.087 1.00 1.00 O ATOM 1524 CB ASP X 91 99.100 1.740 -4.503 1.00 1.00 C ATOM 1525 CG ASP X 91 98.806 2.087 -3.043 1.00 1.00 C ATOM 1526 OD1 ASP X 91 98.429 3.217 -2.779 1.00 1.00 O ATOM 1527 OD2 ASP X 91 98.938 1.202 -2.213 1.00 1.00 O ATOM 0 H ASP X 91 96.717 1.596 -5.057 1.00 1.00 H new ATOM 0 HA ASP X 91 98.508 3.754 -5.025 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.739 0.735 -4.724 1.00 1.00 H new ATOM 0 HB3 ASP X 91 100.177 1.737 -4.672 1.00 1.00 H new ATOM 1532 N LYS X 92 98.824 1.742 -7.630 1.00 1.00 N ATOM 1533 CA LYS X 92 99.441 1.641 -8.956 1.00 1.00 C ATOM 1534 C LYS X 92 99.079 2.850 -9.808 1.00 1.00 C ATOM 1535 O LYS X 92 99.908 3.366 -10.557 1.00 1.00 O ATOM 1536 CB LYS X 92 98.966 0.373 -9.660 1.00 1.00 C ATOM 1537 CG LYS X 92 99.552 -0.854 -8.958 1.00 1.00 C ATOM 1538 CD LYS X 92 98.974 -2.130 -9.576 1.00 1.00 C ATOM 1539 CE LYS X 92 99.027 -3.266 -8.553 1.00 1.00 C ATOM 1540 NZ LYS X 92 99.177 -4.564 -9.267 1.00 1.00 N ATOM 0 H LYS X 92 98.154 1.003 -7.415 1.00 1.00 H new ATOM 0 HA LYS X 92 100.523 1.605 -8.826 1.00 1.00 H new ATOM 0 HB2 LYS X 92 97.877 0.325 -9.649 1.00 1.00 H new ATOM 0 HB3 LYS X 92 99.274 0.388 -10.705 1.00 1.00 H new ATOM 0 HG2 LYS X 92 100.638 -0.854 -9.051 1.00 1.00 H new ATOM 0 HG3 LYS X 92 99.323 -0.819 -7.893 1.00 1.00 H new ATOM 0 HD2 LYS X 92 97.945 -1.959 -9.892 1.00 1.00 H new ATOM 0 HD3 LYS X 92 99.539 -2.403 -10.467 1.00 1.00 H new ATOM 0 HE2 LYS X 92 99.862 -3.116 -7.868 1.00 1.00 H new ATOM 0 HE3 LYS X 92 98.118 -3.272 -7.951 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 98.816 -5.334 -8.668 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 98.638 -4.536 -10.156 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 100.182 -4.731 -9.477 1.00 1.00 H new ATOM 1554 N LYS X 93 97.833 3.293 -9.696 1.00 1.00 N ATOM 1555 CA LYS X 93 97.373 4.440 -10.475 1.00 1.00 C ATOM 1556 C LYS X 93 98.237 5.652 -10.182 1.00 1.00 C ATOM 1557 O LYS X 93 98.569 6.416 -11.086 1.00 1.00 O ATOM 1558 CB LYS X 93 95.907 4.765 -10.152 1.00 1.00 C ATOM 1559 CG LYS X 93 95.008 3.630 -10.653 1.00 1.00 C ATOM 1560 CD LYS X 93 93.548 3.941 -10.315 1.00 1.00 C ATOM 1561 CE LYS X 93 92.652 2.817 -10.838 1.00 1.00 C ATOM 1562 NZ LYS X 93 91.231 3.111 -10.498 1.00 1.00 N ATOM 0 H LYS X 93 97.129 2.883 -9.082 1.00 1.00 H new ATOM 0 HA LYS X 93 97.452 4.186 -11.532 1.00 1.00 H new ATOM 0 HB2 LYS X 93 95.781 4.895 -9.077 1.00 1.00 H new ATOM 0 HB3 LYS X 93 95.620 5.705 -10.623 1.00 1.00 H new ATOM 0 HG2 LYS X 93 95.124 3.509 -11.730 1.00 1.00 H new ATOM 0 HG3 LYS X 93 95.305 2.688 -10.193 1.00 1.00 H new ATOM 0 HD2 LYS X 93 93.427 4.044 -9.237 1.00 1.00 H new ATOM 0 HD3 LYS X 93 93.255 4.891 -10.761 1.00 1.00 H new ATOM 0 HE2 LYS X 93 92.766 2.720 -11.918 1.00 1.00 H new ATOM 0 HE3 LYS X 93 92.952 1.865 -10.399 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 90.623 2.346 -10.854 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 91.129 3.182 -9.465 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 90.948 4.011 -10.937 1.00 1.00 H new ATOM 1576 N GLU X 94 98.592 5.831 -8.915 1.00 1.00 N ATOM 1577 CA GLU X 94 99.417 6.966 -8.512 1.00 1.00 C ATOM 1578 C GLU X 94 98.753 8.283 -8.910 1.00 1.00 C ATOM 1579 O GLU X 94 99.225 9.360 -8.544 1.00 1.00 O ATOM 1580 CB GLU X 94 100.800 6.871 -9.170 1.00 1.00 C ATOM 1581 CG GLU X 94 101.531 5.631 -8.655 1.00 1.00 C ATOM 1582 CD GLU X 94 102.882 5.493 -9.348 1.00 1.00 C ATOM 1583 OE1 GLU X 94 103.211 6.358 -10.144 1.00 1.00 O ATOM 1584 OE2 GLU X 94 103.565 4.520 -9.078 1.00 1.00 O ATOM 0 H GLU X 94 98.324 5.209 -8.152 1.00 1.00 H new ATOM 0 HA GLU X 94 99.528 6.940 -7.428 1.00 1.00 H new ATOM 0 HB2 GLU X 94 100.695 6.819 -10.254 1.00 1.00 H new ATOM 0 HB3 GLU X 94 101.381 7.766 -8.948 1.00 1.00 H new ATOM 0 HG2 GLU X 94 101.673 5.705 -7.577 1.00 1.00 H new ATOM 0 HG3 GLU X 94 100.928 4.742 -8.837 1.00 1.00 H new ATOM 1591 N VAL X 95 97.656 8.192 -9.663 1.00 1.00 N ATOM 1592 CA VAL X 95 96.938 9.380 -10.105 1.00 1.00 C ATOM 1593 C VAL X 95 95.437 9.188 -9.923 1.00 1.00 C ATOM 1594 O VAL X 95 94.963 8.064 -9.755 1.00 1.00 O ATOM 1595 CB VAL X 95 97.248 9.660 -11.574 1.00 1.00 C ATOM 1596 CG1 VAL X 95 98.728 10.021 -11.728 1.00 1.00 C ATOM 1597 CG2 VAL X 95 96.944 8.412 -12.406 1.00 1.00 C ATOM 0 H VAL X 95 97.250 7.311 -9.977 1.00 1.00 H new ATOM 0 HA VAL X 95 97.261 10.228 -9.502 1.00 1.00 H new ATOM 0 HB VAL X 95 96.633 10.491 -11.920 1.00 1.00 H new ATOM 0 HG11 VAL X 95 98.947 10.220 -12.777 1.00 1.00 H new ATOM 0 HG12 VAL X 95 98.949 10.909 -11.136 1.00 1.00 H new ATOM 0 HG13 VAL X 95 99.343 9.191 -11.381 1.00 1.00 H new ATOM 0 HG21 VAL X 95 97.165 8.611 -13.455 1.00 1.00 H new ATOM 0 HG22 VAL X 95 97.559 7.583 -12.057 1.00 1.00 H new ATOM 0 HG23 VAL X 95 95.891 8.152 -12.300 1.00 1.00 H new ATOM 1607 N ASN X 96 94.694 10.290 -9.957 1.00 1.00 N ATOM 1608 CA ASN X 96 93.245 10.232 -9.797 1.00 1.00 C ATOM 1609 C ASN X 96 92.551 11.056 -10.879 1.00 1.00 C ATOM 1610 O ASN X 96 92.082 12.165 -10.621 1.00 1.00 O ATOM 1611 CB ASN X 96 92.854 10.762 -8.417 1.00 1.00 C ATOM 1612 CG ASN X 96 93.751 11.933 -8.032 1.00 1.00 C ATOM 1613 OD1 ASN X 96 94.576 11.809 -7.027 1.00 1.00 O flip ATOM 1614 ND2 ASN X 96 93.697 12.990 -8.659 1.00 1.00 N flip ATOM 0 H ASN X 96 95.069 11.229 -10.093 1.00 1.00 H new ATOM 0 HA ASN X 96 92.928 9.193 -9.891 1.00 1.00 H new ATOM 0 HB2 ASN X 96 91.811 11.079 -8.423 1.00 1.00 H new ATOM 0 HB3 ASN X 96 92.941 9.968 -7.676 1.00 1.00 H new ATOM 0 HD21 ASN X 96 93.052 13.085 -9.444 1.00 1.00 H new ATOM 0 HD22 ASN X 96 94.297 13.771 -8.394 1.00 1.00 H new ATOM 1621 N PRO X 97 92.482 10.536 -12.078 1.00 1.00 N ATOM 1622 CA PRO X 97 91.833 11.235 -13.227 1.00 1.00 C ATOM 1623 C PRO X 97 90.389 11.617 -12.925 1.00 1.00 C ATOM 1624 O PRO X 97 89.903 12.650 -13.386 1.00 1.00 O ATOM 1625 CB PRO X 97 91.901 10.212 -14.367 1.00 1.00 C ATOM 1626 CG PRO X 97 93.012 9.289 -13.998 1.00 1.00 C ATOM 1627 CD PRO X 97 93.015 9.223 -12.474 1.00 1.00 C ATOM 0 HA PRO X 97 92.331 12.175 -13.465 1.00 1.00 H new ATOM 0 HB2 PRO X 97 90.959 9.673 -14.469 1.00 1.00 H new ATOM 0 HB3 PRO X 97 92.095 10.699 -15.322 1.00 1.00 H new ATOM 0 HG2 PRO X 97 92.858 8.301 -14.431 1.00 1.00 H new ATOM 0 HG3 PRO X 97 93.966 9.657 -14.375 1.00 1.00 H new ATOM 0 HD2 PRO X 97 92.392 8.408 -12.105 1.00 1.00 H new ATOM 0 HD3 PRO X 97 94.018 9.061 -12.080 1.00 1.00 H new ATOM 1635 N GLN X 98 89.708 10.775 -12.149 1.00 1.00 N ATOM 1636 CA GLN X 98 88.318 11.031 -11.790 1.00 1.00 C ATOM 1637 C GLN X 98 88.097 12.515 -11.522 1.00 1.00 C ATOM 1638 O GLN X 98 88.371 13.006 -10.428 1.00 1.00 O ATOM 1639 CB GLN X 98 87.940 10.225 -10.544 1.00 1.00 C ATOM 1640 CG GLN X 98 87.878 8.737 -10.894 1.00 1.00 C ATOM 1641 CD GLN X 98 87.590 7.921 -9.638 1.00 1.00 C ATOM 1642 OE1 GLN X 98 87.414 8.483 -8.558 1.00 1.00 O ATOM 1643 NE2 GLN X 98 87.532 6.619 -9.716 1.00 1.00 N ATOM 0 H GLN X 98 90.095 9.915 -11.760 1.00 1.00 H new ATOM 0 HA GLN X 98 87.687 10.726 -12.625 1.00 1.00 H new ATOM 0 HB2 GLN X 98 88.672 10.393 -9.754 1.00 1.00 H new ATOM 0 HB3 GLN X 98 86.976 10.559 -10.161 1.00 1.00 H new ATOM 0 HG2 GLN X 98 87.101 8.561 -11.638 1.00 1.00 H new ATOM 0 HG3 GLN X 98 88.822 8.419 -11.337 1.00 1.00 H new ATOM 0 HE21 GLN X 98 87.678 6.155 -10.612 1.00 1.00 H new ATOM 0 HE22 GLN X 98 87.340 6.066 -8.881 1.00 1.00 H new ATOM 1652 N VAL X 99 87.598 13.220 -12.534 1.00 1.00 N ATOM 1653 CA VAL X 99 87.339 14.649 -12.411 1.00 1.00 C ATOM 1654 C VAL X 99 85.847 14.931 -12.544 1.00 1.00 C ATOM 1655 O VAL X 99 85.201 14.483 -13.491 1.00 1.00 O ATOM 1656 CB VAL X 99 88.101 15.412 -13.500 1.00 1.00 C ATOM 1657 CG1 VAL X 99 87.568 16.842 -13.589 1.00 1.00 C ATOM 1658 CG2 VAL X 99 89.595 15.451 -13.158 1.00 1.00 C ATOM 0 H VAL X 99 87.366 12.825 -13.445 1.00 1.00 H new ATOM 0 HA VAL X 99 87.677 14.980 -11.429 1.00 1.00 H new ATOM 0 HB VAL X 99 87.961 14.907 -14.456 1.00 1.00 H new ATOM 0 HG11 VAL X 99 88.110 17.385 -14.363 1.00 1.00 H new ATOM 0 HG12 VAL X 99 86.507 16.820 -13.836 1.00 1.00 H new ATOM 0 HG13 VAL X 99 87.707 17.342 -12.631 1.00 1.00 H new ATOM 0 HG21 VAL X 99 90.132 15.994 -13.935 1.00 1.00 H new ATOM 0 HG22 VAL X 99 89.736 15.953 -12.201 1.00 1.00 H new ATOM 0 HG23 VAL X 99 89.980 14.433 -13.094 1.00 1.00 H new ATOM 1668 N MET X 100 85.309 15.681 -11.587 1.00 1.00 N ATOM 1669 CA MET X 100 83.892 16.025 -11.598 1.00 1.00 C ATOM 1670 C MET X 100 83.694 17.459 -12.077 1.00 1.00 C ATOM 1671 O MET X 100 83.674 17.663 -13.279 1.00 1.00 O ATOM 1672 CB MET X 100 83.308 15.865 -10.192 1.00 1.00 C ATOM 1673 CG MET X 100 83.185 14.377 -9.854 1.00 1.00 C ATOM 1674 SD MET X 100 82.478 14.187 -8.195 1.00 1.00 S ATOM 1675 CE MET X 100 83.902 14.784 -7.246 1.00 1.00 C ATOM 1676 OXT MET X 100 83.568 18.332 -11.234 1.00 1.00 O ATOM 0 H MET X 100 85.831 16.061 -10.797 1.00 1.00 H new ATOM 0 HA MET X 100 83.376 15.353 -12.284 1.00 1.00 H new ATOM 0 HB2 MET X 100 83.947 16.362 -9.463 1.00 1.00 H new ATOM 0 HB3 MET X 100 82.330 16.343 -10.137 1.00 1.00 H new ATOM 0 HG2 MET X 100 82.553 13.878 -10.589 1.00 1.00 H new ATOM 0 HG3 MET X 100 84.165 13.901 -9.900 1.00 1.00 H new ATOM 0 HE1 MET X 100 83.875 14.358 -6.243 1.00 1.00 H new ATOM 0 HE2 MET X 100 84.823 14.483 -7.744 1.00 1.00 H new ATOM 0 HE3 MET X 100 83.865 15.871 -7.179 1.00 1.00 H new TER 1686 MET X 100