USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 77 MET CE :methyl -170:sc=-0.000703 (180deg=0) USER MOD Set 2.1: A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 76 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 87:sc= 1.21 USER MOD Single : A 57 SER OG : rot 73:sc= 1.29 USER MOD Single : A 58 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0 (180deg=-6.35e-05) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -86:sc= -3.62! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= 1.27 (180deg=1.19) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -2.79! C(o=-2.8!,f=-5.9!) USER MOD Single : A 97 LYS NZ :NH3+ 142:sc= 0.367 (180deg=0.0109) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 28.939 22.438 37.223 1.00 0.00 N ATOM 22 CA ALA A 2 27.797 23.204 36.762 1.00 0.00 C ATOM 23 C ALA A 2 27.521 22.868 35.308 1.00 0.00 C ATOM 24 O ALA A 2 26.362 22.788 34.877 1.00 0.00 O ATOM 25 CB ALA A 2 28.011 24.700 36.962 1.00 0.00 C ATOM 0 HA ALA A 2 26.925 22.933 37.357 1.00 0.00 H new ATOM 0 HB1 ALA A 2 27.136 25.244 36.606 1.00 0.00 H new ATOM 0 HB2 ALA A 2 28.161 24.908 38.022 1.00 0.00 H new ATOM 0 HB3 ALA A 2 28.890 25.020 36.402 1.00 0.00 H new ATOM 31 N ASP A 3 28.592 22.615 34.563 1.00 0.00 N ATOM 32 CA ASP A 3 28.468 22.191 33.170 1.00 0.00 C ATOM 33 C ASP A 3 28.039 20.743 33.169 1.00 0.00 C ATOM 34 O ASP A 3 27.239 20.322 32.347 1.00 0.00 O ATOM 35 CB ASP A 3 29.793 22.365 32.409 1.00 0.00 C ATOM 36 CG ASP A 3 29.705 22.027 30.934 1.00 0.00 C ATOM 37 OD1 ASP A 3 29.940 20.862 30.546 1.00 0.00 O ATOM 38 OD2 ASP A 3 29.448 22.955 30.122 1.00 0.00 O ATOM 0 H ASP A 3 29.552 22.695 34.897 1.00 0.00 H new ATOM 0 HA ASP A 3 27.730 22.810 32.660 1.00 0.00 H new ATOM 0 HB2 ASP A 3 30.129 23.397 32.516 1.00 0.00 H new ATOM 0 HB3 ASP A 3 30.552 21.733 32.871 1.00 0.00 H new ATOM 43 N GLU A 4 28.528 19.999 34.172 1.00 0.00 N ATOM 44 CA GLU A 4 28.139 18.607 34.375 1.00 0.00 C ATOM 45 C GLU A 4 26.638 18.504 34.634 1.00 0.00 C ATOM 46 O GLU A 4 26.002 17.541 34.218 1.00 0.00 O ATOM 47 CB GLU A 4 28.922 17.949 35.519 1.00 0.00 C ATOM 48 CG GLU A 4 30.412 17.832 35.264 1.00 0.00 C ATOM 49 CD GLU A 4 31.142 17.086 36.349 1.00 0.00 C ATOM 50 OE1 GLU A 4 31.173 15.844 36.296 1.00 0.00 O ATOM 51 OE2 GLU A 4 31.717 17.716 37.261 1.00 0.00 O ATOM 0 H GLU A 4 29.199 20.347 34.857 1.00 0.00 H new ATOM 0 HA GLU A 4 28.382 18.067 33.460 1.00 0.00 H new ATOM 0 HB2 GLU A 4 28.765 18.525 36.431 1.00 0.00 H new ATOM 0 HB3 GLU A 4 28.516 16.953 35.697 1.00 0.00 H new ATOM 0 HG2 GLU A 4 30.573 17.325 34.312 1.00 0.00 H new ATOM 0 HG3 GLU A 4 30.838 18.831 35.169 1.00 0.00 H new ATOM 58 N GLU A 5 26.084 19.498 35.321 1.00 0.00 N ATOM 59 CA GLU A 5 24.646 19.581 35.544 1.00 0.00 C ATOM 60 C GLU A 5 23.884 19.698 34.247 1.00 0.00 C ATOM 61 O GLU A 5 22.880 19.022 34.055 1.00 0.00 O ATOM 62 CB GLU A 5 24.286 20.733 36.466 1.00 0.00 C ATOM 63 CG GLU A 5 24.505 20.424 37.921 1.00 0.00 C ATOM 64 CD GLU A 5 23.692 19.231 38.335 1.00 0.00 C ATOM 65 OE1 GLU A 5 22.466 19.362 38.514 1.00 0.00 O ATOM 66 OE2 GLU A 5 24.253 18.132 38.460 1.00 0.00 O ATOM 0 H GLU A 5 26.615 20.263 35.736 1.00 0.00 H new ATOM 0 HA GLU A 5 24.354 18.650 36.029 1.00 0.00 H new ATOM 0 HB2 GLU A 5 24.880 21.606 36.194 1.00 0.00 H new ATOM 0 HB3 GLU A 5 23.240 20.999 36.312 1.00 0.00 H new ATOM 0 HG2 GLU A 5 25.562 20.231 38.102 1.00 0.00 H new ATOM 0 HG3 GLU A 5 24.230 21.287 38.527 1.00 0.00 H new ATOM 73 N LEU A 6 24.377 20.537 33.358 1.00 0.00 N ATOM 74 CA LEU A 6 23.761 20.719 32.061 1.00 0.00 C ATOM 75 C LEU A 6 23.890 19.442 31.247 1.00 0.00 C ATOM 76 O LEU A 6 22.932 19.007 30.599 1.00 0.00 O ATOM 77 CB LEU A 6 24.404 21.902 31.323 1.00 0.00 C ATOM 78 CG LEU A 6 23.942 22.139 29.879 1.00 0.00 C ATOM 79 CD1 LEU A 6 22.437 22.354 29.806 1.00 0.00 C ATOM 80 CD2 LEU A 6 24.681 23.317 29.277 1.00 0.00 C ATOM 0 H LEU A 6 25.209 21.107 33.513 1.00 0.00 H new ATOM 0 HA LEU A 6 22.703 20.942 32.198 1.00 0.00 H new ATOM 0 HB2 LEU A 6 24.210 22.808 31.897 1.00 0.00 H new ATOM 0 HB3 LEU A 6 25.484 21.754 31.316 1.00 0.00 H new ATOM 0 HG LEU A 6 24.176 21.246 29.300 1.00 0.00 H new ATOM 0 HD11 LEU A 6 22.143 22.519 28.769 1.00 0.00 H new ATOM 0 HD12 LEU A 6 21.924 21.473 30.193 1.00 0.00 H new ATOM 0 HD13 LEU A 6 22.164 23.224 30.403 1.00 0.00 H new ATOM 0 HD21 LEU A 6 24.343 23.473 28.253 1.00 0.00 H new ATOM 0 HD22 LEU A 6 24.480 24.212 29.866 1.00 0.00 H new ATOM 0 HD23 LEU A 6 25.752 23.114 29.279 1.00 0.00 H new ATOM 92 N GLU A 7 25.070 18.848 31.317 1.00 0.00 N ATOM 93 CA GLU A 7 25.381 17.613 30.631 1.00 0.00 C ATOM 94 C GLU A 7 24.401 16.520 31.060 1.00 0.00 C ATOM 95 O GLU A 7 23.680 15.957 30.238 1.00 0.00 O ATOM 96 CB GLU A 7 26.820 17.197 30.971 1.00 0.00 C ATOM 97 CG GLU A 7 27.347 16.018 30.181 1.00 0.00 C ATOM 98 CD GLU A 7 27.352 16.288 28.703 1.00 0.00 C ATOM 99 OE1 GLU A 7 28.162 17.125 28.235 1.00 0.00 O ATOM 100 OE2 GLU A 7 26.559 15.678 27.984 1.00 0.00 O ATOM 0 H GLU A 7 25.848 19.219 31.862 1.00 0.00 H new ATOM 0 HA GLU A 7 25.292 17.758 29.554 1.00 0.00 H new ATOM 0 HB2 GLU A 7 27.478 18.050 30.805 1.00 0.00 H new ATOM 0 HB3 GLU A 7 26.872 16.956 32.033 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.359 15.784 30.510 1.00 0.00 H new ATOM 0 HG3 GLU A 7 26.734 15.140 30.387 1.00 0.00 H new ATOM 107 N ALA A 8 24.332 16.297 32.361 1.00 0.00 N ATOM 108 CA ALA A 8 23.491 15.260 32.943 1.00 0.00 C ATOM 109 C ALA A 8 22.027 15.496 32.625 1.00 0.00 C ATOM 110 O ALA A 8 21.317 14.567 32.246 1.00 0.00 O ATOM 111 CB ALA A 8 23.694 15.188 34.447 1.00 0.00 C ATOM 0 H ALA A 8 24.861 16.833 33.049 1.00 0.00 H new ATOM 0 HA ALA A 8 23.786 14.308 32.501 1.00 0.00 H new ATOM 0 HB1 ALA A 8 23.057 14.407 34.863 1.00 0.00 H new ATOM 0 HB2 ALA A 8 24.737 14.958 34.663 1.00 0.00 H new ATOM 0 HB3 ALA A 8 23.433 16.147 34.896 1.00 0.00 H new ATOM 117 N LEU A 9 21.602 16.750 32.737 1.00 0.00 N ATOM 118 CA LEU A 9 20.226 17.136 32.483 1.00 0.00 C ATOM 119 C LEU A 9 19.862 16.815 31.043 1.00 0.00 C ATOM 120 O LEU A 9 18.880 16.108 30.784 1.00 0.00 O ATOM 121 CB LEU A 9 20.043 18.647 32.805 1.00 0.00 C ATOM 122 CG LEU A 9 18.618 19.261 32.794 1.00 0.00 C ATOM 123 CD1 LEU A 9 18.652 20.619 33.464 1.00 0.00 C ATOM 124 CD2 LEU A 9 18.068 19.430 31.378 1.00 0.00 C ATOM 0 H LEU A 9 22.206 17.526 33.007 1.00 0.00 H new ATOM 0 HA LEU A 9 19.552 16.572 33.128 1.00 0.00 H new ATOM 0 HB2 LEU A 9 20.468 18.825 33.793 1.00 0.00 H new ATOM 0 HB3 LEU A 9 20.647 19.209 32.092 1.00 0.00 H new ATOM 0 HG LEU A 9 17.964 18.573 33.331 1.00 0.00 H new ATOM 0 HD11 LEU A 9 17.652 21.053 33.458 1.00 0.00 H new ATOM 0 HD12 LEU A 9 18.993 20.508 34.493 1.00 0.00 H new ATOM 0 HD13 LEU A 9 19.335 21.274 32.924 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.069 19.863 31.425 1.00 0.00 H new ATOM 0 HD22 LEU A 9 18.723 20.090 30.810 1.00 0.00 H new ATOM 0 HD23 LEU A 9 18.019 18.457 30.888 1.00 0.00 H new ATOM 136 N ARG A 10 20.677 17.292 30.118 1.00 0.00 N ATOM 137 CA ARG A 10 20.416 17.110 28.710 1.00 0.00 C ATOM 138 C ARG A 10 20.453 15.637 28.327 1.00 0.00 C ATOM 139 O ARG A 10 19.574 15.168 27.627 1.00 0.00 O ATOM 140 CB ARG A 10 21.385 17.935 27.858 1.00 0.00 C ATOM 141 CG ARG A 10 21.137 17.844 26.360 1.00 0.00 C ATOM 142 CD ARG A 10 22.042 18.790 25.599 1.00 0.00 C ATOM 143 NE ARG A 10 21.819 18.738 24.145 1.00 0.00 N ATOM 144 CZ ARG A 10 22.365 19.589 23.264 1.00 0.00 C ATOM 145 NH1 ARG A 10 23.188 20.552 23.684 1.00 0.00 N ATOM 146 NH2 ARG A 10 22.095 19.474 21.973 1.00 0.00 N ATOM 0 H ARG A 10 21.530 17.812 30.324 1.00 0.00 H new ATOM 0 HA ARG A 10 19.409 17.474 28.509 1.00 0.00 H new ATOM 0 HB2 ARG A 10 21.319 18.980 28.162 1.00 0.00 H new ATOM 0 HB3 ARG A 10 22.403 17.606 28.066 1.00 0.00 H new ATOM 0 HG2 ARG A 10 21.307 16.822 26.022 1.00 0.00 H new ATOM 0 HG3 ARG A 10 20.095 18.081 26.146 1.00 0.00 H new ATOM 0 HD2 ARG A 10 21.877 19.808 25.952 1.00 0.00 H new ATOM 0 HD3 ARG A 10 23.082 18.543 25.813 1.00 0.00 H new ATOM 0 HE ARG A 10 21.208 18.006 23.783 1.00 0.00 H new ATOM 0 HH11 ARG A 10 23.403 20.642 24.677 1.00 0.00 H new ATOM 0 HH12 ARG A 10 23.602 21.198 23.012 1.00 0.00 H new ATOM 0 HH21 ARG A 10 21.470 18.737 21.646 1.00 0.00 H new ATOM 0 HH22 ARG A 10 22.512 20.123 21.305 1.00 0.00 H new ATOM 160 N ARG A 11 21.437 14.904 28.832 1.00 0.00 N ATOM 161 CA ARG A 11 21.573 13.477 28.508 1.00 0.00 C ATOM 162 C ARG A 11 20.398 12.680 29.033 1.00 0.00 C ATOM 163 O ARG A 11 19.839 11.851 28.318 1.00 0.00 O ATOM 164 CB ARG A 11 22.872 12.884 29.054 1.00 0.00 C ATOM 165 CG ARG A 11 24.129 13.505 28.490 1.00 0.00 C ATOM 166 CD ARG A 11 25.371 12.871 29.085 1.00 0.00 C ATOM 167 NE ARG A 11 25.513 11.461 28.700 1.00 0.00 N ATOM 168 CZ ARG A 11 26.531 10.671 29.050 1.00 0.00 C ATOM 169 NH1 ARG A 11 27.446 11.105 29.911 1.00 0.00 N ATOM 170 NH2 ARG A 11 26.606 9.429 28.569 1.00 0.00 N ATOM 0 H ARG A 11 22.152 15.265 29.464 1.00 0.00 H new ATOM 0 HA ARG A 11 21.595 13.410 27.420 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.881 12.997 30.138 1.00 0.00 H new ATOM 0 HB3 ARG A 11 22.885 11.814 28.845 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.141 13.387 27.407 1.00 0.00 H new ATOM 0 HG3 ARG A 11 24.131 14.576 28.694 1.00 0.00 H new ATOM 0 HD2 ARG A 11 26.251 13.425 28.759 1.00 0.00 H new ATOM 0 HD3 ARG A 11 25.331 12.947 30.172 1.00 0.00 H new ATOM 0 HE ARG A 11 24.778 11.054 28.121 1.00 0.00 H new ATOM 0 HH11 ARG A 11 27.371 12.043 30.305 1.00 0.00 H new ATOM 0 HH12 ARG A 11 28.223 10.500 30.177 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.886 9.084 27.934 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.383 8.825 28.836 1.00 0.00 H new ATOM 184 N GLN A 12 20.011 12.947 30.271 1.00 0.00 N ATOM 185 CA GLN A 12 18.901 12.251 30.884 1.00 0.00 C ATOM 186 C GLN A 12 17.611 12.544 30.126 1.00 0.00 C ATOM 187 O GLN A 12 16.937 11.624 29.679 1.00 0.00 O ATOM 188 CB GLN A 12 18.791 12.623 32.356 1.00 0.00 C ATOM 189 CG GLN A 12 17.655 11.949 33.094 1.00 0.00 C ATOM 190 CD GLN A 12 17.722 12.211 34.575 1.00 0.00 C ATOM 191 OE1 GLN A 12 17.184 13.192 35.068 1.00 0.00 O ATOM 192 NE2 GLN A 12 18.377 11.343 35.297 1.00 0.00 N ATOM 0 H GLN A 12 20.454 13.644 30.869 1.00 0.00 H new ATOM 0 HA GLN A 12 19.078 11.177 30.830 1.00 0.00 H new ATOM 0 HB2 GLN A 12 19.729 12.371 32.852 1.00 0.00 H new ATOM 0 HB3 GLN A 12 18.668 13.703 32.436 1.00 0.00 H new ATOM 0 HG2 GLN A 12 16.703 12.308 32.703 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.689 10.875 32.912 1.00 0.00 H new ATOM 0 HE21 GLN A 12 18.814 10.536 34.852 1.00 0.00 H new ATOM 0 HE22 GLN A 12 18.452 11.472 36.306 1.00 0.00 H new ATOM 201 N ARG A 13 17.327 13.828 29.922 1.00 0.00 N ATOM 202 CA ARG A 13 16.139 14.269 29.176 1.00 0.00 C ATOM 203 C ARG A 13 16.109 13.679 27.758 1.00 0.00 C ATOM 204 O ARG A 13 15.043 13.299 27.252 1.00 0.00 O ATOM 205 CB ARG A 13 16.082 15.803 29.092 1.00 0.00 C ATOM 206 CG ARG A 13 15.367 16.559 30.233 1.00 0.00 C ATOM 207 CD ARG A 13 15.880 16.251 31.648 1.00 0.00 C ATOM 208 NE ARG A 13 15.227 15.076 32.254 1.00 0.00 N ATOM 209 CZ ARG A 13 14.901 14.960 33.559 1.00 0.00 C ATOM 210 NH1 ARG A 13 15.209 15.921 34.433 1.00 0.00 N ATOM 211 NH2 ARG A 13 14.275 13.879 33.969 1.00 0.00 N ATOM 0 H ARG A 13 17.908 14.593 30.265 1.00 0.00 H new ATOM 0 HA ARG A 13 15.268 13.905 29.721 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.105 16.174 29.034 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.593 16.069 28.155 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.465 17.630 30.054 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.303 16.325 30.191 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.956 16.082 31.610 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.716 17.120 32.285 1.00 0.00 H new ATOM 0 HE ARG A 13 15.005 14.292 31.641 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.698 16.759 34.118 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.955 15.817 35.415 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.042 13.142 33.304 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.023 13.778 34.952 1.00 0.00 H new ATOM 225 N LEU A 14 17.282 13.593 27.135 1.00 0.00 N ATOM 226 CA LEU A 14 17.420 13.060 25.783 1.00 0.00 C ATOM 227 C LEU A 14 17.072 11.574 25.792 1.00 0.00 C ATOM 228 O LEU A 14 16.332 11.103 24.932 1.00 0.00 O ATOM 229 CB LEU A 14 18.880 13.297 25.286 1.00 0.00 C ATOM 230 CG LEU A 14 19.226 13.084 23.781 1.00 0.00 C ATOM 231 CD1 LEU A 14 20.629 13.597 23.512 1.00 0.00 C ATOM 232 CD2 LEU A 14 19.151 11.618 23.362 1.00 0.00 C ATOM 0 H LEU A 14 18.163 13.891 27.554 1.00 0.00 H new ATOM 0 HA LEU A 14 16.738 13.568 25.101 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.148 14.322 25.540 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.532 12.644 25.866 1.00 0.00 H new ATOM 0 HG LEU A 14 18.486 13.634 23.199 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.875 13.450 22.460 1.00 0.00 H new ATOM 0 HD12 LEU A 14 20.680 14.659 23.751 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.341 13.051 24.131 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.401 11.528 22.305 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.857 11.034 23.953 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.141 11.243 23.529 1.00 0.00 H new ATOM 656 N ILE A 43 1.587 -1.966 -1.547 1.00 0.00 N ATOM 657 CA ILE A 43 0.808 -3.121 -1.102 1.00 0.00 C ATOM 658 C ILE A 43 -0.375 -3.395 -2.026 1.00 0.00 C ATOM 659 O ILE A 43 -0.657 -4.526 -2.353 1.00 0.00 O ATOM 660 CB ILE A 43 0.372 -3.061 0.398 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.571 -1.873 0.690 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.604 -3.018 1.302 1.00 0.00 C ATOM 663 CD1 ILE A 43 -0.976 -1.751 2.143 1.00 0.00 C ATOM 0 HA ILE A 43 1.490 -3.969 -1.167 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.194 -3.967 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.081 -0.949 0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.469 -1.977 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.289 -2.976 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.205 -3.913 1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.197 -2.134 1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.638 -0.893 2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.496 -2.658 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.087 -1.614 2.758 1.00 0.00 H new ATOM 675 N LEU A 44 -1.004 -2.350 -2.509 1.00 0.00 N ATOM 676 CA LEU A 44 -2.116 -2.510 -3.415 1.00 0.00 C ATOM 677 C LEU A 44 -1.635 -2.900 -4.819 1.00 0.00 C ATOM 678 O LEU A 44 -2.290 -3.649 -5.501 1.00 0.00 O ATOM 679 CB LEU A 44 -2.943 -1.236 -3.486 1.00 0.00 C ATOM 680 CG LEU A 44 -3.604 -0.767 -2.182 1.00 0.00 C ATOM 681 CD1 LEU A 44 -4.338 0.547 -2.407 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.565 -1.823 -1.647 1.00 0.00 C ATOM 0 H LEU A 44 -0.766 -1.383 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.742 -3.315 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.301 -0.434 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.725 -1.380 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.821 -0.612 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.802 0.869 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.631 1.306 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.107 0.409 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.020 -1.466 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.344 -2.013 -2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.019 -2.746 -1.450 1.00 0.00 H new ATOM 694 N ALA A 45 -0.488 -2.399 -5.231 1.00 0.00 N ATOM 695 CA ALA A 45 0.039 -2.667 -6.569 1.00 0.00 C ATOM 696 C ALA A 45 0.713 -4.034 -6.661 1.00 0.00 C ATOM 697 O ALA A 45 0.792 -4.625 -7.735 1.00 0.00 O ATOM 698 CB ALA A 45 1.003 -1.569 -6.999 1.00 0.00 C ATOM 0 H ALA A 45 0.106 -1.799 -4.659 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.812 -2.678 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.383 -1.789 -7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.482 -0.612 -7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.835 -1.520 -6.297 1.00 0.00 H new ATOM 704 N GLN A 46 1.215 -4.520 -5.552 1.00 0.00 N ATOM 705 CA GLN A 46 1.857 -5.824 -5.518 1.00 0.00 C ATOM 706 C GLN A 46 0.804 -6.918 -5.376 1.00 0.00 C ATOM 707 O GLN A 46 0.998 -8.048 -5.821 1.00 0.00 O ATOM 708 CB GLN A 46 2.882 -5.897 -4.370 1.00 0.00 C ATOM 709 CG GLN A 46 3.982 -4.838 -4.461 1.00 0.00 C ATOM 710 CD GLN A 46 4.963 -4.872 -3.290 1.00 0.00 C ATOM 711 OE1 GLN A 46 4.610 -5.254 -2.176 1.00 0.00 O ATOM 712 NE2 GLN A 46 6.178 -4.445 -3.518 1.00 0.00 N ATOM 0 H GLN A 46 1.194 -4.035 -4.655 1.00 0.00 H new ATOM 0 HA GLN A 46 2.394 -5.976 -6.455 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.359 -5.785 -3.420 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.341 -6.886 -4.366 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.534 -4.978 -5.390 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.522 -3.851 -4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.442 -4.134 -4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.861 -4.423 -2.761 1.00 0.00 H new ATOM 721 N VAL A 47 -0.309 -6.558 -4.779 1.00 0.00 N ATOM 722 CA VAL A 47 -1.407 -7.480 -4.561 1.00 0.00 C ATOM 723 C VAL A 47 -2.416 -7.443 -5.696 1.00 0.00 C ATOM 724 O VAL A 47 -2.831 -8.482 -6.199 1.00 0.00 O ATOM 725 CB VAL A 47 -2.089 -7.184 -3.201 1.00 0.00 C ATOM 726 CG1 VAL A 47 -3.407 -7.903 -3.062 1.00 0.00 C ATOM 727 CG2 VAL A 47 -1.159 -7.552 -2.055 1.00 0.00 C ATOM 0 H VAL A 47 -0.482 -5.616 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.995 -8.489 -4.537 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.297 -6.115 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.850 -7.667 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.081 -7.584 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.244 -8.978 -3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.650 -7.339 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.918 -8.614 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.242 -6.967 -2.128 1.00 0.00 H new ATOM 737 N LEU A 48 -2.789 -6.283 -6.122 1.00 0.00 N ATOM 738 CA LEU A 48 -3.728 -6.189 -7.192 1.00 0.00 C ATOM 739 C LEU A 48 -2.976 -6.164 -8.469 1.00 0.00 C ATOM 740 O LEU A 48 -2.015 -5.407 -8.612 1.00 0.00 O ATOM 741 CB LEU A 48 -4.588 -4.926 -7.096 1.00 0.00 C ATOM 742 CG LEU A 48 -5.465 -4.764 -5.848 1.00 0.00 C ATOM 743 CD1 LEU A 48 -6.214 -3.454 -5.895 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.438 -5.917 -5.706 1.00 0.00 C ATOM 0 H LEU A 48 -2.462 -5.392 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.397 -7.048 -7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.926 -4.062 -7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.237 -4.893 -7.971 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.809 -4.765 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.831 -3.356 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.502 -2.629 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.850 -3.430 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.045 -5.773 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.085 -5.957 -6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.884 -6.852 -5.622 1.00 0.00 H new ATOM 756 N ASP A 49 -3.367 -7.005 -9.380 1.00 0.00 N ATOM 757 CA ASP A 49 -2.800 -7.006 -10.705 1.00 0.00 C ATOM 758 C ASP A 49 -3.086 -5.666 -11.374 1.00 0.00 C ATOM 759 O ASP A 49 -3.973 -4.925 -10.934 1.00 0.00 O ATOM 760 CB ASP A 49 -3.385 -8.151 -11.555 1.00 0.00 C ATOM 761 CG ASP A 49 -2.810 -8.164 -12.953 1.00 0.00 C ATOM 762 OD1 ASP A 49 -1.603 -8.375 -13.096 1.00 0.00 O ATOM 763 OD2 ASP A 49 -3.548 -7.854 -13.926 1.00 0.00 O ATOM 0 H ASP A 49 -4.087 -7.711 -9.230 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.724 -7.159 -10.626 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.181 -9.105 -11.069 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.469 -8.046 -11.609 1.00 0.00 H new ATOM 768 N GLN A 50 -2.358 -5.373 -12.418 1.00 0.00 N ATOM 769 CA GLN A 50 -2.507 -4.137 -13.189 1.00 0.00 C ATOM 770 C GLN A 50 -3.968 -3.965 -13.630 1.00 0.00 C ATOM 771 O GLN A 50 -4.522 -2.859 -13.595 1.00 0.00 O ATOM 772 CB GLN A 50 -1.605 -4.192 -14.422 1.00 0.00 C ATOM 773 CG GLN A 50 -1.576 -2.911 -15.234 1.00 0.00 C ATOM 774 CD GLN A 50 -0.784 -3.057 -16.510 1.00 0.00 C ATOM 775 OE1 GLN A 50 0.422 -2.842 -16.534 1.00 0.00 O ATOM 776 NE2 GLN A 50 -1.445 -3.401 -17.578 1.00 0.00 N ATOM 0 H GLN A 50 -1.627 -5.989 -12.775 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.221 -3.291 -12.564 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.590 -4.430 -14.104 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.937 -5.008 -15.064 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.597 -2.614 -15.475 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.145 -2.112 -14.631 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.449 -3.573 -17.523 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.959 -3.499 -18.469 1.00 0.00 H new ATOM 785 N SER A 51 -4.600 -5.086 -13.954 1.00 0.00 N ATOM 786 CA SER A 51 -5.968 -5.097 -14.413 1.00 0.00 C ATOM 787 C SER A 51 -6.901 -4.689 -13.263 1.00 0.00 C ATOM 788 O SER A 51 -7.815 -3.882 -13.431 1.00 0.00 O ATOM 789 CB SER A 51 -6.322 -6.500 -14.922 1.00 0.00 C ATOM 790 OG SER A 51 -5.298 -6.988 -15.799 1.00 0.00 O ATOM 0 H SER A 51 -4.171 -6.010 -13.903 1.00 0.00 H new ATOM 0 HA SER A 51 -6.090 -4.385 -15.229 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.441 -7.180 -14.079 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.277 -6.473 -15.447 1.00 0.00 H new ATOM 0 HG SER A 51 -4.603 -7.435 -15.273 1.00 0.00 H new ATOM 796 N ALA A 52 -6.599 -5.192 -12.075 1.00 0.00 N ATOM 797 CA ALA A 52 -7.400 -4.924 -10.906 1.00 0.00 C ATOM 798 C ALA A 52 -7.200 -3.491 -10.450 1.00 0.00 C ATOM 799 O ALA A 52 -8.136 -2.847 -10.004 1.00 0.00 O ATOM 800 CB ALA A 52 -7.076 -5.907 -9.799 1.00 0.00 C ATOM 0 H ALA A 52 -5.794 -5.794 -11.902 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.451 -5.053 -11.163 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.691 -5.688 -8.926 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.281 -6.921 -10.142 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.023 -5.820 -9.532 1.00 0.00 H new ATOM 806 N ARG A 53 -5.978 -2.984 -10.591 1.00 0.00 N ATOM 807 CA ARG A 53 -5.680 -1.589 -10.257 1.00 0.00 C ATOM 808 C ARG A 53 -6.500 -0.647 -11.142 1.00 0.00 C ATOM 809 O ARG A 53 -7.041 0.359 -10.665 1.00 0.00 O ATOM 810 CB ARG A 53 -4.171 -1.276 -10.387 1.00 0.00 C ATOM 811 CG ARG A 53 -3.267 -1.972 -9.359 1.00 0.00 C ATOM 812 CD ARG A 53 -3.538 -1.493 -7.930 1.00 0.00 C ATOM 813 NE ARG A 53 -3.230 -0.064 -7.744 1.00 0.00 N ATOM 814 CZ ARG A 53 -3.844 0.770 -6.884 1.00 0.00 C ATOM 815 NH1 ARG A 53 -4.841 0.336 -6.118 1.00 0.00 N ATOM 816 NH2 ARG A 53 -3.443 2.034 -6.791 1.00 0.00 N ATOM 0 H ARG A 53 -5.177 -3.515 -10.934 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.957 -1.432 -9.215 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.842 -1.560 -11.387 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.031 -0.199 -10.299 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.420 -3.050 -9.414 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.223 -1.785 -9.611 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.585 -1.670 -7.684 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.942 -2.083 -7.234 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.484 0.329 -8.319 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.146 -0.635 -6.180 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.301 0.975 -5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.673 2.369 -7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.906 2.669 -6.141 1.00 0.00 H new ATOM 830 N ALA A 54 -6.621 -0.998 -12.415 1.00 0.00 N ATOM 831 CA ALA A 54 -7.409 -0.218 -13.358 1.00 0.00 C ATOM 832 C ALA A 54 -8.896 -0.302 -13.017 1.00 0.00 C ATOM 833 O ALA A 54 -9.594 0.727 -12.957 1.00 0.00 O ATOM 834 CB ALA A 54 -7.157 -0.683 -14.780 1.00 0.00 C ATOM 0 H ALA A 54 -6.180 -1.824 -12.820 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.100 0.825 -13.281 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.756 -0.087 -15.469 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.101 -0.563 -15.020 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.434 -1.733 -14.874 1.00 0.00 H new ATOM 840 N ARG A 55 -9.377 -1.520 -12.772 1.00 0.00 N ATOM 841 CA ARG A 55 -10.749 -1.756 -12.387 1.00 0.00 C ATOM 842 C ARG A 55 -11.098 -0.973 -11.128 1.00 0.00 C ATOM 843 O ARG A 55 -12.142 -0.332 -11.057 1.00 0.00 O ATOM 844 CB ARG A 55 -10.959 -3.238 -12.148 1.00 0.00 C ATOM 845 CG ARG A 55 -12.401 -3.599 -11.932 1.00 0.00 C ATOM 846 CD ARG A 55 -13.228 -3.335 -13.179 1.00 0.00 C ATOM 847 NE ARG A 55 -12.792 -4.142 -14.320 1.00 0.00 N ATOM 848 CZ ARG A 55 -13.535 -4.450 -15.383 1.00 0.00 C ATOM 849 NH1 ARG A 55 -14.762 -3.946 -15.516 1.00 0.00 N ATOM 850 NH2 ARG A 55 -13.037 -5.254 -16.312 1.00 0.00 N ATOM 0 H ARG A 55 -8.815 -2.369 -12.838 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.402 -1.419 -13.192 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.574 -3.796 -13.002 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.379 -3.546 -11.278 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.478 -4.651 -11.658 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.802 -3.022 -11.098 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.276 -3.546 -12.968 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.162 -2.278 -13.438 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.837 -4.500 -14.300 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.137 -3.321 -14.802 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.326 -4.185 -16.332 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.094 -5.630 -16.209 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.596 -5.497 -17.130 1.00 0.00 H new ATOM 864 N LEU A 56 -10.203 -1.007 -10.164 1.00 0.00 N ATOM 865 CA LEU A 56 -10.379 -0.315 -8.902 1.00 0.00 C ATOM 866 C LEU A 56 -10.475 1.193 -9.111 1.00 0.00 C ATOM 867 O LEU A 56 -11.325 1.855 -8.522 1.00 0.00 O ATOM 868 CB LEU A 56 -9.223 -0.643 -7.959 1.00 0.00 C ATOM 869 CG LEU A 56 -9.290 -0.015 -6.577 1.00 0.00 C ATOM 870 CD1 LEU A 56 -10.531 -0.475 -5.844 1.00 0.00 C ATOM 871 CD2 LEU A 56 -8.056 -0.365 -5.790 1.00 0.00 C ATOM 0 H LEU A 56 -9.324 -1.520 -10.233 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.313 -0.655 -8.455 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.172 -1.726 -7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.293 -0.330 -8.434 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.340 1.068 -6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.562 -0.015 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.416 -0.182 -6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.510 -1.560 -5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.114 0.090 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.985 -1.448 -5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.174 0.009 -6.310 1.00 0.00 H new ATOM 883 N SER A 57 -9.631 1.712 -9.972 1.00 0.00 N ATOM 884 CA SER A 57 -9.608 3.127 -10.284 1.00 0.00 C ATOM 885 C SER A 57 -10.933 3.567 -10.928 1.00 0.00 C ATOM 886 O SER A 57 -11.460 4.644 -10.647 1.00 0.00 O ATOM 887 CB SER A 57 -8.430 3.403 -11.202 1.00 0.00 C ATOM 888 OG SER A 57 -7.194 3.073 -10.559 1.00 0.00 O ATOM 0 H SER A 57 -8.936 1.164 -10.480 1.00 0.00 H new ATOM 0 HA SER A 57 -9.492 3.704 -9.367 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.534 2.823 -12.119 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.426 4.454 -11.489 1.00 0.00 H new ATOM 0 HG SER A 57 -7.104 2.099 -10.503 1.00 0.00 H new ATOM 894 N ASN A 58 -11.466 2.718 -11.769 1.00 0.00 N ATOM 895 CA ASN A 58 -12.764 2.964 -12.404 1.00 0.00 C ATOM 896 C ASN A 58 -13.914 2.806 -11.411 1.00 0.00 C ATOM 897 O ASN A 58 -14.933 3.495 -11.504 1.00 0.00 O ATOM 898 CB ASN A 58 -12.982 2.046 -13.612 1.00 0.00 C ATOM 899 CG ASN A 58 -12.214 2.476 -14.854 1.00 0.00 C ATOM 900 OD1 ASN A 58 -12.733 3.238 -15.689 1.00 0.00 O ATOM 901 ND2 ASN A 58 -11.006 2.001 -15.004 1.00 0.00 N ATOM 0 H ASN A 58 -11.027 1.838 -12.041 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.753 3.996 -12.754 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.685 1.032 -13.345 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.046 2.015 -13.846 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.457 2.253 -15.826 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.612 1.378 -14.299 1.00 0.00 H new ATOM 908 N LEU A 59 -13.738 1.913 -10.453 1.00 0.00 N ATOM 909 CA LEU A 59 -14.739 1.654 -9.419 1.00 0.00 C ATOM 910 C LEU A 59 -14.824 2.876 -8.508 1.00 0.00 C ATOM 911 O LEU A 59 -15.904 3.269 -8.059 1.00 0.00 O ATOM 912 CB LEU A 59 -14.319 0.399 -8.614 1.00 0.00 C ATOM 913 CG LEU A 59 -15.410 -0.372 -7.818 1.00 0.00 C ATOM 914 CD1 LEU A 59 -15.951 0.414 -6.632 1.00 0.00 C ATOM 915 CD2 LEU A 59 -16.545 -0.792 -8.740 1.00 0.00 C ATOM 0 H LEU A 59 -12.897 1.343 -10.365 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.717 1.472 -9.864 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.859 -0.302 -9.310 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.545 0.702 -7.908 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.928 -1.260 -7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -16.708 -0.178 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.137 0.639 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -16.396 1.345 -6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -17.300 -1.330 -8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.994 0.093 -9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.155 -1.440 -9.525 1.00 0.00 H new ATOM 927 N ALA A 60 -13.674 3.483 -8.282 1.00 0.00 N ATOM 928 CA ALA A 60 -13.538 4.689 -7.454 1.00 0.00 C ATOM 929 C ALA A 60 -14.387 5.841 -7.985 1.00 0.00 C ATOM 930 O ALA A 60 -14.783 6.741 -7.243 1.00 0.00 O ATOM 931 CB ALA A 60 -12.083 5.109 -7.411 1.00 0.00 C ATOM 0 H ALA A 60 -12.789 3.155 -8.670 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.892 4.449 -6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.981 6.004 -6.797 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.485 4.305 -6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.735 5.321 -8.422 1.00 0.00 H new ATOM 937 N LEU A 61 -14.653 5.798 -9.263 1.00 0.00 N ATOM 938 CA LEU A 61 -15.410 6.817 -9.930 1.00 0.00 C ATOM 939 C LEU A 61 -16.914 6.615 -9.746 1.00 0.00 C ATOM 940 O LEU A 61 -17.655 7.589 -9.550 1.00 0.00 O ATOM 941 CB LEU A 61 -15.047 6.830 -11.411 1.00 0.00 C ATOM 942 CG LEU A 61 -13.584 7.145 -11.739 1.00 0.00 C ATOM 943 CD1 LEU A 61 -13.330 6.998 -13.225 1.00 0.00 C ATOM 944 CD2 LEU A 61 -13.225 8.552 -11.275 1.00 0.00 C ATOM 0 H LEU A 61 -14.345 5.043 -9.876 1.00 0.00 H new ATOM 0 HA LEU A 61 -15.159 7.780 -9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -15.292 5.856 -11.834 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.678 7.563 -11.913 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.951 6.434 -11.208 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -12.286 7.226 -13.440 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.549 5.975 -13.532 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.972 7.687 -13.774 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.182 8.760 -11.516 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.865 9.276 -11.780 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -13.371 8.628 -10.197 1.00 0.00 H new ATOM 956 N VAL A 62 -17.366 5.368 -9.779 1.00 0.00 N ATOM 957 CA VAL A 62 -18.798 5.091 -9.664 1.00 0.00 C ATOM 958 C VAL A 62 -19.303 5.257 -8.229 1.00 0.00 C ATOM 959 O VAL A 62 -20.403 5.765 -8.016 1.00 0.00 O ATOM 960 CB VAL A 62 -19.234 3.724 -10.283 1.00 0.00 C ATOM 961 CG1 VAL A 62 -18.954 3.707 -11.778 1.00 0.00 C ATOM 962 CG2 VAL A 62 -18.553 2.547 -9.608 1.00 0.00 C ATOM 0 H VAL A 62 -16.776 4.542 -9.883 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.285 5.851 -10.274 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.306 3.620 -10.116 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.263 2.749 -12.195 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -19.511 4.510 -12.262 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -17.887 3.851 -11.950 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.887 1.619 -10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -17.473 2.640 -9.718 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.810 2.536 -8.549 1.00 0.00 H new ATOM 972 N LYS A 63 -18.497 4.837 -7.263 1.00 0.00 N ATOM 973 CA LYS A 63 -18.781 5.050 -5.848 1.00 0.00 C ATOM 974 C LYS A 63 -17.580 4.695 -4.986 1.00 0.00 C ATOM 975 O LYS A 63 -17.294 3.510 -4.745 1.00 0.00 O ATOM 976 CB LYS A 63 -20.078 4.365 -5.337 1.00 0.00 C ATOM 977 CG LYS A 63 -20.194 2.863 -5.538 1.00 0.00 C ATOM 978 CD LYS A 63 -21.461 2.365 -4.869 1.00 0.00 C ATOM 979 CE LYS A 63 -21.619 0.864 -4.953 1.00 0.00 C ATOM 980 NZ LYS A 63 -21.804 0.373 -6.338 1.00 0.00 N ATOM 0 H LYS A 63 -17.625 4.337 -7.438 1.00 0.00 H new ATOM 0 HA LYS A 63 -18.976 6.118 -5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -20.172 4.572 -4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -20.927 4.839 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -20.214 2.627 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -19.324 2.360 -5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -21.456 2.667 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -22.323 2.843 -5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -20.739 0.388 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -22.475 0.561 -4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -21.923 -0.660 -6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -22.649 0.815 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -20.970 0.619 -6.908 1.00 0.00 H new ATOM 994 N PRO A 64 -16.873 5.721 -4.480 1.00 0.00 N ATOM 995 CA PRO A 64 -15.641 5.538 -3.703 1.00 0.00 C ATOM 996 C PRO A 64 -15.876 4.900 -2.328 1.00 0.00 C ATOM 997 O PRO A 64 -14.924 4.484 -1.657 1.00 0.00 O ATOM 998 CB PRO A 64 -15.086 6.959 -3.557 1.00 0.00 C ATOM 999 CG PRO A 64 -16.274 7.847 -3.687 1.00 0.00 C ATOM 1000 CD PRO A 64 -17.208 7.162 -4.639 1.00 0.00 C ATOM 0 HA PRO A 64 -14.959 4.850 -4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.594 7.095 -2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.345 7.175 -4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.751 8.003 -2.719 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.986 8.829 -4.063 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.251 7.361 -4.391 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.054 7.499 -5.664 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.138 4.791 -1.931 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.484 4.201 -0.653 1.00 0.00 C ATOM 1010 C GLU A 65 -17.145 2.718 -0.653 1.00 0.00 C ATOM 1011 O GLU A 65 -16.614 2.188 0.317 1.00 0.00 O ATOM 1012 CB GLU A 65 -18.955 4.427 -0.321 1.00 0.00 C ATOM 1013 CG GLU A 65 -19.333 5.893 -0.247 1.00 0.00 C ATOM 1014 CD GLU A 65 -20.746 6.110 0.204 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -20.980 6.234 1.418 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -21.656 6.188 -0.647 1.00 0.00 O ATOM 0 H GLU A 65 -17.938 5.106 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.896 4.691 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.570 3.938 -1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -19.183 3.951 0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -18.656 6.403 0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -19.196 6.348 -1.228 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.427 2.063 -1.752 1.00 0.00 N ATOM 1024 CA LYS A 66 -17.073 0.671 -1.900 1.00 0.00 C ATOM 1025 C LYS A 66 -15.603 0.503 -2.239 1.00 0.00 C ATOM 1026 O LYS A 66 -14.988 -0.506 -1.896 1.00 0.00 O ATOM 1027 CB LYS A 66 -18.012 -0.093 -2.838 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.098 -0.848 -2.103 1.00 0.00 C ATOM 1029 CD LYS A 66 -19.907 0.022 -1.169 1.00 0.00 C ATOM 1030 CE LYS A 66 -20.806 -0.852 -0.355 1.00 0.00 C ATOM 1031 NZ LYS A 66 -21.648 -0.091 0.583 1.00 0.00 N ATOM 0 H LYS A 66 -17.901 2.471 -2.558 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.219 0.201 -0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.472 0.609 -3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.429 -0.795 -3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.767 -1.307 -2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.644 -1.658 -1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.246 0.594 -0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.495 0.742 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.445 -1.430 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.201 -1.566 0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.250 -0.747 1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -21.042 0.440 1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -22.247 0.572 0.052 1.00 0.00 H new ATOM 1045 N THR A 67 -15.047 1.499 -2.912 1.00 0.00 N ATOM 1046 CA THR A 67 -13.638 1.511 -3.253 1.00 0.00 C ATOM 1047 C THR A 67 -12.783 1.455 -1.977 1.00 0.00 C ATOM 1048 O THR A 67 -11.927 0.593 -1.841 1.00 0.00 O ATOM 1049 CB THR A 67 -13.311 2.791 -4.005 1.00 0.00 C ATOM 1050 OG1 THR A 67 -14.330 3.013 -4.979 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.972 2.673 -4.708 1.00 0.00 C ATOM 0 H THR A 67 -15.561 2.319 -3.235 1.00 0.00 H new ATOM 0 HA THR A 67 -13.420 0.643 -3.875 1.00 0.00 H new ATOM 0 HB THR A 67 -13.261 3.620 -3.299 1.00 0.00 H new ATOM 0 HG1 THR A 67 -14.109 2.526 -5.800 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.757 3.600 -5.240 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.190 2.488 -3.972 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.005 1.847 -5.418 1.00 0.00 H new ATOM 1059 N LYS A 68 -13.070 2.338 -1.022 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.318 2.374 0.227 1.00 0.00 C ATOM 1061 C LYS A 68 -12.522 1.089 1.017 1.00 0.00 C ATOM 1062 O LYS A 68 -11.638 0.650 1.740 1.00 0.00 O ATOM 1063 CB LYS A 68 -12.677 3.607 1.080 1.00 0.00 C ATOM 1064 CG LYS A 68 -14.105 3.643 1.588 1.00 0.00 C ATOM 1065 CD LYS A 68 -14.355 4.884 2.404 1.00 0.00 C ATOM 1066 CE LYS A 68 -15.759 4.900 2.977 1.00 0.00 C ATOM 1067 NZ LYS A 68 -16.029 6.146 3.706 1.00 0.00 N ATOM 0 H LYS A 68 -13.813 3.033 -1.090 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.262 2.457 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.002 3.647 1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.495 4.504 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.796 3.612 0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.302 2.759 2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.629 4.939 3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.205 5.766 1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.483 4.785 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.889 4.050 3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.997 6.124 4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.353 6.243 4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.928 6.955 3.060 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.692 0.490 0.867 1.00 0.00 N ATOM 1082 CA ALA A 69 -14.003 -0.753 1.529 1.00 0.00 C ATOM 1083 C ALA A 69 -13.083 -1.862 1.036 1.00 0.00 C ATOM 1084 O ALA A 69 -12.494 -2.587 1.852 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.465 -1.121 1.333 1.00 0.00 C ATOM 0 H ALA A 69 -14.446 0.855 0.284 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.836 -0.626 2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.675 -2.062 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.097 -0.336 1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.673 -1.230 0.269 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.930 -1.981 -0.288 1.00 0.00 N ATOM 1092 CA VAL A 70 -12.025 -2.984 -0.830 1.00 0.00 C ATOM 1093 C VAL A 70 -10.552 -2.613 -0.595 1.00 0.00 C ATOM 1094 O VAL A 70 -9.777 -3.464 -0.186 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.280 -3.361 -2.334 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.646 -3.972 -2.520 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -12.128 -2.174 -3.257 1.00 0.00 C ATOM 0 H VAL A 70 -13.410 -1.409 -0.983 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.253 -3.888 -0.265 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.519 -4.095 -2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.793 -4.222 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.725 -4.877 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.409 -3.259 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.314 -2.486 -4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.844 -1.401 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.116 -1.777 -3.176 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.189 -1.333 -0.794 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.800 -0.879 -0.594 1.00 0.00 C ATOM 1109 C GLU A 71 -8.320 -1.198 0.809 1.00 0.00 C ATOM 1110 O GLU A 71 -7.301 -1.860 0.987 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.629 0.623 -0.887 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.825 1.000 -2.345 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.578 2.471 -2.624 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -9.514 3.289 -2.499 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -7.442 2.838 -2.987 1.00 0.00 O ATOM 0 H GLU A 71 -10.832 -0.599 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.186 -1.425 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.340 1.183 -0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.631 0.931 -0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.153 0.403 -2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.842 0.746 -2.645 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.100 -0.783 1.794 1.00 0.00 N ATOM 1123 CA ASN A 72 -8.790 -1.007 3.187 1.00 0.00 C ATOM 1124 C ASN A 72 -8.722 -2.507 3.506 1.00 0.00 C ATOM 1125 O ASN A 72 -7.867 -2.950 4.277 1.00 0.00 O ATOM 1126 CB ASN A 72 -9.820 -0.276 4.056 1.00 0.00 C ATOM 1127 CG ASN A 72 -9.691 -0.557 5.522 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -8.898 0.075 6.237 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -10.513 -1.439 6.000 1.00 0.00 N ATOM 0 H ASN A 72 -9.973 -0.277 1.642 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.803 -0.602 3.409 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.722 0.797 3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.821 -0.558 3.729 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.524 -1.636 7.001 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.148 -1.936 5.375 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.589 -3.289 2.863 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.584 -4.733 3.037 1.00 0.00 C ATOM 1138 C TYR A 73 -8.271 -5.337 2.524 1.00 0.00 C ATOM 1139 O TYR A 73 -7.632 -6.139 3.225 1.00 0.00 O ATOM 1140 CB TYR A 73 -10.796 -5.395 2.350 1.00 0.00 C ATOM 1141 CG TYR A 73 -10.750 -6.906 2.384 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -11.074 -7.611 3.535 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -10.341 -7.628 1.271 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -10.998 -8.989 3.565 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -10.258 -8.996 1.299 1.00 0.00 C ATOM 1146 CZ TYR A 73 -10.588 -9.673 2.441 1.00 0.00 C ATOM 1147 OH TYR A 73 -10.495 -11.051 2.463 1.00 0.00 O ATOM 0 H TYR A 73 -10.301 -2.943 2.219 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.664 -4.935 4.105 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.711 -5.055 2.836 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.843 -5.063 1.313 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -11.389 -7.075 4.418 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.083 -7.101 0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.258 -9.528 4.464 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.933 -9.537 0.423 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.192 -11.372 1.588 1.00 0.00 H new ATOM 1157 N LEU A 74 -7.860 -4.946 1.314 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.604 -5.434 0.755 1.00 0.00 C ATOM 1159 C LEU A 74 -5.417 -4.993 1.583 1.00 0.00 C ATOM 1160 O LEU A 74 -4.485 -5.760 1.759 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.393 -5.099 -0.742 1.00 0.00 C ATOM 1162 CG LEU A 74 -7.127 -5.973 -1.795 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.869 -7.455 -1.577 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.613 -5.687 -1.867 1.00 0.00 C ATOM 0 H LEU A 74 -8.373 -4.302 0.713 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.681 -6.520 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.695 -4.063 -0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.324 -5.154 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.705 -5.694 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.400 -8.032 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.800 -7.653 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.222 -7.744 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.071 -6.328 -2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.069 -5.884 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.770 -4.642 -2.136 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.465 -3.769 2.101 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.424 -3.262 3.000 1.00 0.00 C ATOM 1178 C ILE A 75 -4.259 -4.212 4.207 1.00 0.00 C ATOM 1179 O ILE A 75 -3.139 -4.642 4.522 1.00 0.00 O ATOM 1180 CB ILE A 75 -4.744 -1.807 3.481 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -4.668 -0.832 2.287 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -3.800 -1.369 4.606 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.046 0.597 2.610 1.00 0.00 C ATOM 0 H ILE A 75 -6.216 -3.105 1.914 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.485 -3.226 2.448 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.756 -1.793 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.653 -0.844 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.323 -1.197 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.050 -0.354 4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.907 -2.045 5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.771 -1.396 4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.963 1.208 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.072 0.628 2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.376 0.986 3.376 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.376 -4.570 4.847 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.339 -5.519 5.961 1.00 0.00 C ATOM 1197 C GLN A 76 -4.855 -6.888 5.529 1.00 0.00 C ATOM 1198 O GLN A 76 -3.946 -7.446 6.135 1.00 0.00 O ATOM 1199 CB GLN A 76 -6.685 -5.659 6.693 1.00 0.00 C ATOM 1200 CG GLN A 76 -6.856 -4.737 7.892 1.00 0.00 C ATOM 1201 CD GLN A 76 -6.945 -3.283 7.536 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -8.034 -2.758 7.328 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -5.824 -2.622 7.476 1.00 0.00 N ATOM 0 H GLN A 76 -6.306 -4.221 4.616 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.624 -5.092 6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.490 -5.465 5.985 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.796 -6.691 7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.758 -5.024 8.432 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.017 -4.883 8.572 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.941 -3.099 7.656 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.830 -1.628 7.249 1.00 0.00 H new ATOM 1212 N MET A 77 -5.435 -7.413 4.478 1.00 0.00 N ATOM 1213 CA MET A 77 -5.085 -8.741 4.010 1.00 0.00 C ATOM 1214 C MET A 77 -3.637 -8.855 3.543 1.00 0.00 C ATOM 1215 O MET A 77 -3.012 -9.923 3.681 1.00 0.00 O ATOM 1216 CB MET A 77 -6.078 -9.274 2.989 1.00 0.00 C ATOM 1217 CG MET A 77 -7.406 -9.642 3.625 1.00 0.00 C ATOM 1218 SD MET A 77 -7.206 -10.856 4.952 1.00 0.00 S ATOM 1219 CE MET A 77 -8.895 -11.082 5.509 1.00 0.00 C ATOM 0 H MET A 77 -6.153 -6.944 3.926 1.00 0.00 H new ATOM 0 HA MET A 77 -5.158 -9.393 4.881 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.242 -8.523 2.216 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.657 -10.151 2.497 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.879 -8.744 4.023 1.00 0.00 H new ATOM 0 HG3 MET A 77 -8.074 -10.044 2.863 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.899 -11.662 6.432 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.352 -10.109 5.690 1.00 0.00 H new ATOM 0 HE3 MET A 77 -9.462 -11.612 4.744 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.097 -7.770 2.997 1.00 0.00 N ATOM 1230 CA ALA A 78 -1.693 -7.715 2.610 1.00 0.00 C ATOM 1231 C ALA A 78 -0.816 -7.775 3.855 1.00 0.00 C ATOM 1232 O ALA A 78 0.223 -8.429 3.860 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.390 -6.456 1.808 1.00 0.00 C ATOM 0 H ALA A 78 -3.616 -6.911 2.812 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.477 -8.573 1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.335 -6.444 1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.000 -6.445 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.618 -5.577 2.411 1.00 0.00 H new ATOM 1353 N LYS A 86 -1.561 -12.616 -6.992 1.00 0.00 N ATOM 1354 CA LYS A 86 -2.191 -11.379 -7.347 1.00 0.00 C ATOM 1355 C LYS A 86 -3.682 -11.559 -7.347 1.00 0.00 C ATOM 1356 O LYS A 86 -4.194 -12.671 -7.521 1.00 0.00 O ATOM 1357 CB LYS A 86 -1.815 -10.939 -8.761 1.00 0.00 C ATOM 1358 CG LYS A 86 -0.433 -10.368 -8.981 1.00 0.00 C ATOM 1359 CD LYS A 86 -0.319 -10.022 -10.452 1.00 0.00 C ATOM 1360 CE LYS A 86 0.902 -9.210 -10.802 1.00 0.00 C ATOM 1361 NZ LYS A 86 0.914 -8.902 -12.249 1.00 0.00 N ATOM 0 HA LYS A 86 -1.862 -10.635 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.930 -11.799 -9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.540 -10.192 -9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.280 -9.482 -8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.332 -11.091 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.306 -10.945 -11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.208 -9.469 -10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.910 -8.285 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.803 -9.761 -10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.590 -8.133 -12.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.198 -9.749 -12.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.037 -8.607 -12.549 1.00 0.00 H new ATOM 1375 N VAL A 87 -4.361 -10.496 -7.156 1.00 0.00 N ATOM 1376 CA VAL A 87 -5.771 -10.466 -7.269 1.00 0.00 C ATOM 1377 C VAL A 87 -6.091 -9.934 -8.653 1.00 0.00 C ATOM 1378 O VAL A 87 -5.735 -8.792 -8.986 1.00 0.00 O ATOM 1379 CB VAL A 87 -6.400 -9.545 -6.196 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -7.910 -9.529 -6.297 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -5.976 -9.967 -4.807 1.00 0.00 C ATOM 0 H VAL A 87 -3.945 -9.598 -6.910 1.00 0.00 H new ATOM 0 HA VAL A 87 -6.181 -11.465 -7.119 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.036 -8.534 -6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.319 -8.873 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.205 -9.164 -7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.295 -10.539 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.431 -9.304 -4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.300 -10.991 -4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.891 -9.910 -4.725 1.00 0.00 H new ATOM 1391 N SER A 88 -6.671 -10.768 -9.471 1.00 0.00 N ATOM 1392 CA SER A 88 -7.058 -10.385 -10.802 1.00 0.00 C ATOM 1393 C SER A 88 -8.421 -9.671 -10.730 1.00 0.00 C ATOM 1394 O SER A 88 -8.975 -9.516 -9.624 1.00 0.00 O ATOM 1395 CB SER A 88 -7.128 -11.641 -11.660 1.00 0.00 C ATOM 1396 OG SER A 88 -5.938 -12.405 -11.512 1.00 0.00 O ATOM 0 H SER A 88 -6.890 -11.736 -9.233 1.00 0.00 H new ATOM 0 HA SER A 88 -6.336 -9.700 -11.248 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.991 -12.240 -11.371 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.266 -11.368 -12.706 1.00 0.00 H new ATOM 0 HG SER A 88 -5.995 -13.211 -12.067 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.981 -9.253 -11.866 1.00 0.00 N ATOM 1403 CA GLU A 89 -10.243 -8.520 -11.840 1.00 0.00 C ATOM 1404 C GLU A 89 -11.365 -9.354 -11.247 1.00 0.00 C ATOM 1405 O GLU A 89 -12.116 -8.868 -10.411 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.639 -7.981 -13.202 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.653 -7.011 -13.793 1.00 0.00 C ATOM 1408 CD GLU A 89 -10.242 -6.240 -14.936 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -10.666 -6.841 -15.938 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -10.356 -5.026 -14.826 1.00 0.00 O ATOM 0 H GLU A 89 -8.590 -9.406 -12.795 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.076 -7.660 -11.192 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.764 -8.818 -13.889 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.608 -7.490 -13.118 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.319 -6.317 -13.021 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.772 -7.553 -14.137 1.00 0.00 H new ATOM 1417 N GLN A 90 -11.435 -10.624 -11.630 1.00 0.00 N ATOM 1418 CA GLN A 90 -12.439 -11.537 -11.083 1.00 0.00 C ATOM 1419 C GLN A 90 -12.311 -11.722 -9.557 1.00 0.00 C ATOM 1420 O GLN A 90 -13.282 -12.049 -8.875 1.00 0.00 O ATOM 1421 CB GLN A 90 -12.487 -12.887 -11.855 1.00 0.00 C ATOM 1422 CG GLN A 90 -11.133 -13.559 -12.178 1.00 0.00 C ATOM 1423 CD GLN A 90 -10.319 -13.994 -10.979 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -9.503 -13.241 -10.466 1.00 0.00 O ATOM 1425 NE2 GLN A 90 -10.534 -15.192 -10.527 1.00 0.00 N ATOM 0 H GLN A 90 -10.810 -11.047 -12.316 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.407 -11.060 -11.239 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -13.083 -13.589 -11.273 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.016 -12.722 -12.794 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.320 -14.432 -12.804 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.535 -12.865 -12.769 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.223 -15.792 -10.981 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.014 -15.533 -9.718 1.00 0.00 H new ATOM 1434 N GLY A 91 -11.124 -11.489 -9.041 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.888 -11.583 -7.627 1.00 0.00 C ATOM 1436 C GLY A 91 -11.263 -10.303 -6.931 1.00 0.00 C ATOM 1437 O GLY A 91 -11.721 -10.318 -5.794 1.00 0.00 O ATOM 0 H GLY A 91 -10.304 -11.231 -9.590 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.466 -12.409 -7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.837 -11.806 -7.444 1.00 0.00 H new ATOM 1441 N LEU A 92 -11.079 -9.189 -7.622 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.435 -7.893 -7.080 1.00 0.00 C ATOM 1443 C LEU A 92 -12.946 -7.765 -7.037 1.00 0.00 C ATOM 1444 O LEU A 92 -13.506 -7.297 -6.059 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.831 -6.757 -7.913 1.00 0.00 C ATOM 1446 CG LEU A 92 -11.115 -5.335 -7.408 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.474 -5.091 -6.046 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.645 -4.308 -8.414 1.00 0.00 C ATOM 0 H LEU A 92 -10.684 -9.160 -8.562 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.031 -7.815 -6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.751 -6.898 -7.956 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.205 -6.841 -8.933 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.194 -5.232 -7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.694 -4.075 -5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.875 -5.801 -5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.395 -5.222 -6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.855 -3.307 -8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.572 -4.418 -8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.168 -4.458 -9.358 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.596 -8.225 -8.101 1.00 0.00 N ATOM 1461 CA ILE A 93 -15.058 -8.235 -8.192 1.00 0.00 C ATOM 1462 C ILE A 93 -15.638 -9.132 -7.089 1.00 0.00 C ATOM 1463 O ILE A 93 -16.695 -8.841 -6.511 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.520 -8.731 -9.602 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -15.001 -7.769 -10.689 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -17.048 -8.850 -9.676 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -15.230 -8.242 -12.112 1.00 0.00 C ATOM 0 H ILE A 93 -13.128 -8.602 -8.925 1.00 0.00 H new ATOM 0 HA ILE A 93 -15.427 -7.219 -8.055 1.00 0.00 H new ATOM 0 HB ILE A 93 -15.102 -9.723 -9.772 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.484 -6.801 -10.560 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.933 -7.614 -10.539 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -17.338 -9.197 -10.668 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -17.394 -9.562 -8.927 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -17.498 -7.876 -9.486 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.834 -7.504 -12.809 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.723 -9.195 -12.265 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -16.299 -8.368 -12.286 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.893 -10.180 -6.765 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.254 -11.120 -5.722 1.00 0.00 C ATOM 1481 C GLU A 94 -15.304 -10.379 -4.381 1.00 0.00 C ATOM 1482 O GLU A 94 -16.257 -10.499 -3.614 1.00 0.00 O ATOM 1483 CB GLU A 94 -14.186 -12.194 -5.622 1.00 0.00 C ATOM 1484 CG GLU A 94 -14.577 -13.395 -4.803 1.00 0.00 C ATOM 1485 CD GLU A 94 -15.077 -14.502 -5.672 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -16.259 -14.511 -6.067 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -14.273 -15.378 -6.017 1.00 0.00 O ATOM 0 H GLU A 94 -14.011 -10.401 -7.227 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.221 -11.566 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.928 -12.525 -6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.287 -11.754 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.719 -13.741 -4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -15.349 -13.114 -4.087 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.268 -9.605 -4.123 1.00 0.00 N ATOM 1495 CA ILE A 95 -14.167 -8.842 -2.894 1.00 0.00 C ATOM 1496 C ILE A 95 -15.174 -7.689 -2.910 1.00 0.00 C ATOM 1497 O ILE A 95 -15.766 -7.348 -1.882 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.720 -8.302 -2.678 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.724 -9.473 -2.685 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.628 -7.539 -1.359 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -10.270 -9.062 -2.582 1.00 0.00 C ATOM 0 H ILE A 95 -13.476 -9.487 -4.755 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.399 -9.506 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.473 -7.618 -3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.960 -10.139 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.862 -10.046 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.612 -7.169 -1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.321 -6.698 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.885 -8.205 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.639 -9.951 -2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -10.012 -8.422 -3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.111 -8.517 -1.652 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.380 -7.124 -4.083 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.320 -6.040 -4.278 1.00 0.00 C ATOM 1515 C LEU A 96 -17.730 -6.456 -3.876 1.00 0.00 C ATOM 1516 O LEU A 96 -18.351 -5.793 -3.065 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.308 -5.562 -5.727 1.00 0.00 C ATOM 1518 CG LEU A 96 -17.227 -4.385 -6.047 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.778 -3.122 -5.313 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -17.296 -4.160 -7.547 1.00 0.00 C ATOM 0 H LEU A 96 -14.895 -7.407 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.008 -5.216 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.287 -5.283 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.585 -6.399 -6.368 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.230 -4.626 -5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.450 -2.300 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.800 -3.299 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.764 -2.865 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.955 -3.318 -7.759 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.298 -3.945 -7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.685 -5.056 -8.032 1.00 0.00 H new ATOM 1532 N LYS A 97 -18.216 -7.576 -4.415 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.569 -8.055 -4.084 1.00 0.00 C ATOM 1534 C LYS A 97 -19.661 -8.406 -2.591 1.00 0.00 C ATOM 1535 O LYS A 97 -20.706 -8.217 -1.949 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.992 -9.259 -4.966 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.173 -10.526 -4.759 1.00 0.00 C ATOM 1538 CD LYS A 97 -19.607 -11.644 -5.689 1.00 0.00 C ATOM 1539 CE LYS A 97 -18.818 -12.910 -5.414 1.00 0.00 C ATOM 1540 NZ LYS A 97 -19.131 -13.998 -6.370 1.00 0.00 N ATOM 0 H LYS A 97 -17.705 -8.164 -5.074 1.00 0.00 H new ATOM 0 HA LYS A 97 -20.267 -7.245 -4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -21.040 -9.485 -4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -19.922 -8.966 -6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.118 -10.306 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.272 -10.856 -3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.672 -11.838 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -19.463 -11.338 -6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -17.752 -12.686 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.028 -13.251 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.261 -14.520 -6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.822 -14.647 -5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.530 -13.591 -7.240 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.549 -8.868 -2.051 1.00 0.00 N ATOM 1555 CA LYS A 98 -18.432 -9.233 -0.670 1.00 0.00 C ATOM 1556 C LYS A 98 -18.646 -8.004 0.231 1.00 0.00 C ATOM 1557 O LYS A 98 -19.475 -8.029 1.145 1.00 0.00 O ATOM 1558 CB LYS A 98 -17.048 -9.832 -0.463 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.723 -10.264 0.937 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.275 -10.707 1.031 1.00 0.00 C ATOM 1561 CE LYS A 98 -14.994 -11.969 0.226 1.00 0.00 C ATOM 1562 NZ LYS A 98 -13.617 -12.453 0.449 1.00 0.00 N ATOM 0 H LYS A 98 -17.687 -8.999 -2.581 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.195 -9.964 -0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.944 -10.694 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.305 -9.099 -0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.904 -9.442 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.380 -11.081 1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -14.630 -9.903 0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.020 -10.883 2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.705 -12.747 0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.143 -11.767 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.456 -13.313 -0.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.940 -11.719 0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.484 -12.668 1.458 1.00 0.00 H new ATOM 1576 N VAL A 99 -17.935 -6.921 -0.058 1.00 0.00 N ATOM 1577 CA VAL A 99 -18.044 -5.706 0.748 1.00 0.00 C ATOM 1578 C VAL A 99 -19.293 -4.899 0.388 1.00 0.00 C ATOM 1579 O VAL A 99 -19.772 -4.100 1.189 1.00 0.00 O ATOM 1580 CB VAL A 99 -16.788 -4.785 0.659 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.525 -5.522 1.075 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -16.630 -4.179 -0.724 1.00 0.00 C ATOM 0 H VAL A 99 -17.281 -6.856 -0.838 1.00 0.00 H new ATOM 0 HA VAL A 99 -18.121 -6.056 1.777 1.00 0.00 H new ATOM 0 HB VAL A 99 -16.945 -3.967 1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.670 -4.850 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.627 -5.867 2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.371 -6.379 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.744 -3.544 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.523 -4.976 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.510 -3.581 -0.962 1.00 0.00 H new ATOM 1592 N SER A 100 -19.794 -5.100 -0.823 1.00 0.00 N ATOM 1593 CA SER A 100 -20.989 -4.438 -1.288 1.00 0.00 C ATOM 1594 C SER A 100 -22.184 -4.911 -0.466 1.00 0.00 C ATOM 1595 O SER A 100 -23.039 -4.113 -0.067 1.00 0.00 O ATOM 1596 CB SER A 100 -21.204 -4.723 -2.792 1.00 0.00 C ATOM 1597 OG SER A 100 -22.264 -3.954 -3.351 1.00 0.00 O ATOM 0 H SER A 100 -19.376 -5.730 -1.507 1.00 0.00 H new ATOM 0 HA SER A 100 -20.882 -3.361 -1.161 1.00 0.00 H new ATOM 0 HB2 SER A 100 -20.282 -4.511 -3.333 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.418 -5.783 -2.930 1.00 0.00 H new ATOM 0 HG SER A 100 -22.358 -4.170 -4.302 1.00 0.00 H new