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 130:sc= 1.1 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 170:sc= 1.2 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.32) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 83:sc= 0.687 USER MOD Single : A 57 SER OG : rot 88:sc= 1.23 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc=-0.00567 (180deg=-0.0747) USER MOD Single : A 66 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.21) USER MOD Single : A 67 THR OG1 : rot -23:sc= -0.296 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.412 F(o=-1.4,f=-0.41) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.681! C(o=-0.68!,f=-3.8!) USER MOD Single : A 97 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 -16.265 38.897 36.174 1.00 0.00 N ATOM 22 CA ALA A 2 -16.804 38.733 34.843 1.00 0.00 C ATOM 23 C ALA A 2 -15.716 38.409 33.859 1.00 0.00 C ATOM 24 O ALA A 2 -15.865 37.529 33.028 1.00 0.00 O ATOM 25 CB ALA A 2 -17.519 39.993 34.414 1.00 0.00 C ATOM 0 HA ALA A 2 -17.511 37.904 34.863 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.921 39.859 33.410 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.334 40.203 35.107 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.818 40.828 34.416 1.00 0.00 H new ATOM 31 N ASP A 3 -14.602 39.094 33.994 1.00 0.00 N ATOM 32 CA ASP A 3 -13.484 38.937 33.096 1.00 0.00 C ATOM 33 C ASP A 3 -12.859 37.576 33.254 1.00 0.00 C ATOM 34 O ASP A 3 -12.396 37.005 32.304 1.00 0.00 O ATOM 35 CB ASP A 3 -12.448 40.030 33.314 1.00 0.00 C ATOM 36 CG ASP A 3 -12.999 41.415 33.086 1.00 0.00 C ATOM 37 OD1 ASP A 3 -13.230 41.798 31.929 1.00 0.00 O ATOM 38 OD2 ASP A 3 -13.201 42.149 34.070 1.00 0.00 O ATOM 0 H ASP A 3 -14.447 39.779 34.734 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.860 39.027 32.077 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.063 39.961 34.331 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.606 39.864 32.642 1.00 0.00 H new ATOM 43 N GLU A 4 -12.900 37.052 34.467 1.00 0.00 N ATOM 44 CA GLU A 4 -12.392 35.712 34.769 1.00 0.00 C ATOM 45 C GLU A 4 -13.248 34.671 34.051 1.00 0.00 C ATOM 46 O GLU A 4 -12.740 33.771 33.381 1.00 0.00 O ATOM 47 CB GLU A 4 -12.432 35.483 36.287 1.00 0.00 C ATOM 48 CG GLU A 4 -12.066 34.078 36.753 1.00 0.00 C ATOM 49 CD GLU A 4 -10.659 33.666 36.408 1.00 0.00 C ATOM 50 OE1 GLU A 4 -9.722 34.167 37.037 1.00 0.00 O ATOM 51 OE2 GLU A 4 -10.479 32.779 35.559 1.00 0.00 O ATOM 0 H GLU A 4 -13.286 37.539 35.276 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.362 35.619 34.425 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.753 36.192 36.761 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.435 35.715 36.645 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.196 34.019 37.834 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.762 33.366 36.309 1.00 0.00 H new ATOM 58 N GLU A 5 -14.549 34.824 34.165 1.00 0.00 N ATOM 59 CA GLU A 5 -15.479 33.920 33.532 1.00 0.00 C ATOM 60 C GLU A 5 -15.438 34.057 32.006 1.00 0.00 C ATOM 61 O GLU A 5 -15.541 33.065 31.278 1.00 0.00 O ATOM 62 CB GLU A 5 -16.877 34.137 34.080 1.00 0.00 C ATOM 63 CG GLU A 5 -17.005 33.780 35.553 1.00 0.00 C ATOM 64 CD GLU A 5 -18.402 33.958 36.074 1.00 0.00 C ATOM 65 OE1 GLU A 5 -19.358 33.458 35.431 1.00 0.00 O ATOM 66 OE2 GLU A 5 -18.582 34.557 37.153 1.00 0.00 O ATOM 0 H GLU A 5 -14.989 35.575 34.697 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.181 32.898 33.765 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.157 35.181 33.940 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.583 33.538 33.505 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.696 32.745 35.700 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.323 34.401 36.134 1.00 0.00 H new ATOM 73 N LEU A 6 -15.257 35.278 31.539 1.00 0.00 N ATOM 74 CA LEU A 6 -15.139 35.560 30.115 1.00 0.00 C ATOM 75 C LEU A 6 -13.800 35.024 29.578 1.00 0.00 C ATOM 76 O LEU A 6 -13.695 34.601 28.416 1.00 0.00 O ATOM 77 CB LEU A 6 -15.256 37.074 29.866 1.00 0.00 C ATOM 78 CG LEU A 6 -15.210 37.547 28.408 1.00 0.00 C ATOM 79 CD1 LEU A 6 -16.384 36.989 27.610 1.00 0.00 C ATOM 80 CD2 LEU A 6 -15.190 39.067 28.344 1.00 0.00 C ATOM 0 H LEU A 6 -15.187 36.104 32.133 1.00 0.00 H new ATOM 0 HA LEU A 6 -15.948 35.058 29.585 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -16.193 37.418 30.304 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -14.450 37.569 30.408 1.00 0.00 H new ATOM 0 HG LEU A 6 -14.292 37.168 27.958 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -16.324 37.342 26.580 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.348 35.900 27.623 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -17.320 37.326 28.055 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -15.157 39.387 27.303 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -16.089 39.463 28.817 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -14.310 39.442 28.866 1.00 0.00 H new ATOM 92 N GLU A 7 -12.789 35.041 30.424 1.00 0.00 N ATOM 93 CA GLU A 7 -11.489 34.526 30.072 1.00 0.00 C ATOM 94 C GLU A 7 -11.555 33.008 29.978 1.00 0.00 C ATOM 95 O GLU A 7 -10.938 32.406 29.109 1.00 0.00 O ATOM 96 CB GLU A 7 -10.447 34.918 31.101 1.00 0.00 C ATOM 97 CG GLU A 7 -9.042 34.637 30.651 1.00 0.00 C ATOM 98 CD GLU A 7 -8.052 34.716 31.757 1.00 0.00 C ATOM 99 OE1 GLU A 7 -7.666 35.838 32.164 1.00 0.00 O ATOM 100 OE2 GLU A 7 -7.621 33.645 32.232 1.00 0.00 O ATOM 0 H GLU A 7 -12.850 35.412 31.372 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.201 34.952 29.111 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.546 35.981 31.323 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.640 34.379 32.029 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.001 33.644 30.204 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.766 35.348 29.872 1.00 0.00 H new ATOM 107 N ALA A 8 -12.318 32.396 30.880 1.00 0.00 N ATOM 108 CA ALA A 8 -12.526 30.946 30.884 1.00 0.00 C ATOM 109 C ALA A 8 -13.141 30.500 29.564 1.00 0.00 C ATOM 110 O ALA A 8 -12.834 29.427 29.048 1.00 0.00 O ATOM 111 CB ALA A 8 -13.407 30.532 32.058 1.00 0.00 C ATOM 0 H ALA A 8 -12.809 32.887 31.627 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.559 30.456 30.999 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.549 29.451 32.043 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.927 30.822 32.993 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.375 31.027 31.979 1.00 0.00 H new ATOM 117 N LEU A 9 -13.971 31.362 29.007 1.00 0.00 N ATOM 118 CA LEU A 9 -14.590 31.137 27.719 1.00 0.00 C ATOM 119 C LEU A 9 -13.504 31.131 26.631 1.00 0.00 C ATOM 120 O LEU A 9 -13.506 30.293 25.729 1.00 0.00 O ATOM 121 CB LEU A 9 -15.657 32.235 27.484 1.00 0.00 C ATOM 122 CG LEU A 9 -16.554 32.159 26.230 1.00 0.00 C ATOM 123 CD1 LEU A 9 -17.743 33.063 26.432 1.00 0.00 C ATOM 124 CD2 LEU A 9 -15.816 32.608 24.968 1.00 0.00 C ATOM 0 H LEU A 9 -14.235 32.246 29.442 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.091 30.170 27.684 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.312 32.248 28.355 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.140 33.194 27.460 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.857 31.120 26.096 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -18.386 33.020 25.553 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -18.303 32.737 27.308 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.400 34.087 26.581 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.485 32.538 24.111 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.486 33.640 25.087 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.950 31.966 24.805 1.00 0.00 H new ATOM 136 N ARG A 10 -12.556 32.045 26.747 1.00 0.00 N ATOM 137 CA ARG A 10 -11.463 32.124 25.800 1.00 0.00 C ATOM 138 C ARG A 10 -10.536 30.922 25.975 1.00 0.00 C ATOM 139 O ARG A 10 -10.006 30.400 25.014 1.00 0.00 O ATOM 140 CB ARG A 10 -10.684 33.426 25.949 1.00 0.00 C ATOM 141 CG ARG A 10 -9.629 33.624 24.875 1.00 0.00 C ATOM 142 CD ARG A 10 -8.846 34.896 25.100 1.00 0.00 C ATOM 143 NE ARG A 10 -8.040 34.845 26.319 1.00 0.00 N ATOM 144 CZ ARG A 10 -7.912 35.843 27.193 1.00 0.00 C ATOM 145 NH1 ARG A 10 -8.621 36.959 27.049 1.00 0.00 N ATOM 146 NH2 ARG A 10 -7.079 35.720 28.220 1.00 0.00 N ATOM 0 H ARG A 10 -12.523 32.743 27.490 1.00 0.00 H new ATOM 0 HA ARG A 10 -11.884 32.109 24.795 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.381 34.263 25.921 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.204 33.443 26.927 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.949 32.772 24.870 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.106 33.657 23.896 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.195 35.075 24.244 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.535 35.738 25.158 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.537 33.979 26.515 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.268 37.055 26.266 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.518 37.719 27.722 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.539 34.863 28.339 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.979 36.483 28.890 1.00 0.00 H new ATOM 160 N ARG A 11 -10.364 30.485 27.210 1.00 0.00 N ATOM 161 CA ARG A 11 -9.574 29.292 27.507 1.00 0.00 C ATOM 162 C ARG A 11 -10.231 28.034 26.935 1.00 0.00 C ATOM 163 O ARG A 11 -9.545 27.093 26.546 1.00 0.00 O ATOM 164 CB ARG A 11 -9.299 29.168 29.000 1.00 0.00 C ATOM 165 CG ARG A 11 -8.191 30.093 29.495 1.00 0.00 C ATOM 166 CD ARG A 11 -8.605 30.883 30.724 1.00 0.00 C ATOM 167 NE ARG A 11 -9.138 30.044 31.795 1.00 0.00 N ATOM 168 CZ ARG A 11 -9.568 30.501 32.979 1.00 0.00 C ATOM 169 NH1 ARG A 11 -9.310 31.762 33.363 1.00 0.00 N ATOM 170 NH2 ARG A 11 -10.212 29.672 33.798 1.00 0.00 N ATOM 0 H ARG A 11 -10.762 30.939 28.032 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.608 29.399 27.014 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.215 29.386 29.549 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.029 28.137 29.227 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.305 29.503 29.727 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.914 30.784 28.698 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.744 31.437 31.099 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.357 31.618 30.439 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.186 29.039 31.630 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.781 32.383 32.751 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.643 32.098 34.267 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.372 28.704 33.521 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.545 30.005 34.703 1.00 0.00 H new ATOM 184 N GLN A 12 -11.554 28.034 26.871 1.00 0.00 N ATOM 185 CA GLN A 12 -12.305 26.967 26.217 1.00 0.00 C ATOM 186 C GLN A 12 -11.975 26.991 24.713 1.00 0.00 C ATOM 187 O GLN A 12 -11.685 25.972 24.102 1.00 0.00 O ATOM 188 CB GLN A 12 -13.803 27.192 26.428 1.00 0.00 C ATOM 189 CG GLN A 12 -14.698 26.131 25.820 1.00 0.00 C ATOM 190 CD GLN A 12 -16.158 26.498 25.927 1.00 0.00 C ATOM 191 OE1 GLN A 12 -16.824 26.175 26.905 1.00 0.00 O ATOM 192 NE2 GLN A 12 -16.664 27.185 24.943 1.00 0.00 N ATOM 0 H GLN A 12 -12.138 28.770 27.269 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.034 26.000 26.640 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.001 27.244 27.499 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.073 28.160 26.007 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.435 25.991 24.772 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -14.525 25.179 26.322 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.082 27.437 24.144 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.643 27.471 24.971 1.00 0.00 H new ATOM 201 N ARG A 13 -11.972 28.189 24.165 1.00 0.00 N ATOM 202 CA ARG A 13 -11.645 28.453 22.763 1.00 0.00 C ATOM 203 C ARG A 13 -10.162 28.075 22.480 1.00 0.00 C ATOM 204 O ARG A 13 -9.791 27.672 21.372 1.00 0.00 O ATOM 205 CB ARG A 13 -11.972 29.950 22.494 1.00 0.00 C ATOM 206 CG ARG A 13 -11.768 30.502 21.083 1.00 0.00 C ATOM 207 CD ARG A 13 -10.326 30.886 20.790 1.00 0.00 C ATOM 208 NE ARG A 13 -10.228 31.594 19.515 1.00 0.00 N ATOM 209 CZ ARG A 13 -9.191 32.321 19.096 1.00 0.00 C ATOM 210 NH1 ARG A 13 -8.049 32.343 19.779 1.00 0.00 N ATOM 211 NH2 ARG A 13 -9.301 33.008 17.972 1.00 0.00 N ATOM 0 H ARG A 13 -12.202 29.033 24.689 1.00 0.00 H new ATOM 0 HA ARG A 13 -12.234 27.842 22.079 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -13.014 30.115 22.766 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.366 30.548 23.174 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.092 29.756 20.358 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.404 31.376 20.947 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.942 31.517 21.592 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.704 29.991 20.763 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.028 31.526 18.886 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.957 31.799 20.637 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.266 32.904 19.445 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.170 32.977 17.439 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.517 33.569 17.638 1.00 0.00 H new ATOM 225 N LEU A 14 -9.346 28.201 23.495 1.00 0.00 N ATOM 226 CA LEU A 14 -7.944 27.819 23.454 1.00 0.00 C ATOM 227 C LEU A 14 -7.862 26.281 23.441 1.00 0.00 C ATOM 228 O LEU A 14 -7.064 25.692 22.714 1.00 0.00 O ATOM 229 CB LEU A 14 -7.242 28.423 24.704 1.00 0.00 C ATOM 230 CG LEU A 14 -5.695 28.412 24.807 1.00 0.00 C ATOM 231 CD1 LEU A 14 -5.283 29.217 26.020 1.00 0.00 C ATOM 232 CD2 LEU A 14 -5.126 27.005 24.942 1.00 0.00 C ATOM 0 H LEU A 14 -9.637 28.580 24.396 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.445 28.196 22.561 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.565 29.461 24.787 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.629 27.898 25.578 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.301 28.842 23.886 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.196 29.217 26.104 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.639 30.242 25.915 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.716 28.773 26.916 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.039 27.057 25.010 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.524 26.536 25.842 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.407 26.414 24.070 1.00 0.00 H new ATOM 656 N ILE A 43 1.173 -0.627 -1.743 1.00 0.00 N ATOM 657 CA ILE A 43 0.820 -2.007 -1.496 1.00 0.00 C ATOM 658 C ILE A 43 -0.142 -2.532 -2.553 1.00 0.00 C ATOM 659 O ILE A 43 0.010 -3.636 -3.020 1.00 0.00 O ATOM 660 CB ILE A 43 0.300 -2.307 -0.054 1.00 0.00 C ATOM 661 CG1 ILE A 43 -1.028 -1.591 0.257 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.369 -1.944 0.978 1.00 0.00 C ATOM 663 CD1 ILE A 43 -1.614 -1.952 1.600 1.00 0.00 C ATOM 0 HA ILE A 43 1.761 -2.552 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 43 0.097 -3.376 0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.867 -0.514 0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.751 -1.833 -0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.995 -2.157 1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.268 -2.532 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.607 -0.883 0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.547 -1.409 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.808 -3.024 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.910 -1.684 2.388 1.00 0.00 H new ATOM 675 N LEU A 44 -1.087 -1.694 -2.981 1.00 0.00 N ATOM 676 CA LEU A 44 -2.091 -2.080 -3.982 1.00 0.00 C ATOM 677 C LEU A 44 -1.452 -2.413 -5.317 1.00 0.00 C ATOM 678 O LEU A 44 -1.990 -3.173 -6.078 1.00 0.00 O ATOM 679 CB LEU A 44 -3.160 -0.993 -4.168 1.00 0.00 C ATOM 680 CG LEU A 44 -4.050 -0.691 -2.958 1.00 0.00 C ATOM 681 CD1 LEU A 44 -4.997 0.450 -3.272 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.832 -1.926 -2.532 1.00 0.00 C ATOM 0 H LEU A 44 -1.181 -0.734 -2.648 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.579 -2.977 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.660 -0.070 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.802 -1.286 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.406 -0.396 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.623 0.653 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.422 1.342 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.628 0.177 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.455 -1.683 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.464 -2.258 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.137 -2.722 -2.264 1.00 0.00 H new ATOM 694 N ALA A 45 -0.315 -1.827 -5.592 1.00 0.00 N ATOM 695 CA ALA A 45 0.430 -2.120 -6.804 1.00 0.00 C ATOM 696 C ALA A 45 1.004 -3.542 -6.765 1.00 0.00 C ATOM 697 O ALA A 45 1.153 -4.191 -7.798 1.00 0.00 O ATOM 698 CB ALA A 45 1.535 -1.102 -6.988 1.00 0.00 C ATOM 0 H ALA A 45 0.126 -1.133 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.250 -2.059 -7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.090 -1.328 -7.899 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.102 -0.105 -7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.210 -1.140 -6.133 1.00 0.00 H new ATOM 704 N GLN A 46 1.290 -4.020 -5.571 1.00 0.00 N ATOM 705 CA GLN A 46 1.853 -5.351 -5.392 1.00 0.00 C ATOM 706 C GLN A 46 0.773 -6.374 -5.067 1.00 0.00 C ATOM 707 O GLN A 46 0.946 -7.572 -5.287 1.00 0.00 O ATOM 708 CB GLN A 46 2.914 -5.341 -4.294 1.00 0.00 C ATOM 709 CG GLN A 46 4.151 -4.527 -4.636 1.00 0.00 C ATOM 710 CD GLN A 46 4.801 -4.996 -5.924 1.00 0.00 C ATOM 711 OE1 GLN A 46 4.500 -4.500 -7.004 1.00 0.00 O ATOM 712 NE2 GLN A 46 5.660 -5.967 -5.821 1.00 0.00 N ATOM 0 H GLN A 46 1.142 -3.506 -4.703 1.00 0.00 H new ATOM 0 HA GLN A 46 2.319 -5.640 -6.334 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.472 -4.944 -3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.214 -6.368 -4.084 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.879 -3.476 -4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.870 -4.599 -3.820 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.885 -6.354 -4.904 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.109 -6.342 -6.657 1.00 0.00 H new ATOM 721 N VAL A 47 -0.310 -5.901 -4.519 1.00 0.00 N ATOM 722 CA VAL A 47 -1.428 -6.747 -4.152 1.00 0.00 C ATOM 723 C VAL A 47 -2.406 -6.886 -5.290 1.00 0.00 C ATOM 724 O VAL A 47 -2.868 -7.968 -5.568 1.00 0.00 O ATOM 725 CB VAL A 47 -2.136 -6.232 -2.864 1.00 0.00 C ATOM 726 CG1 VAL A 47 -3.374 -7.047 -2.525 1.00 0.00 C ATOM 727 CG2 VAL A 47 -1.173 -6.245 -1.688 1.00 0.00 C ATOM 0 H VAL A 47 -0.451 -4.913 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.028 -7.737 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.456 -5.209 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.834 -6.651 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.085 -6.988 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.092 -8.087 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.683 -5.882 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.822 -7.263 -1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.322 -5.600 -1.907 1.00 0.00 H new ATOM 737 N LEU A 48 -2.696 -5.821 -5.961 1.00 0.00 N ATOM 738 CA LEU A 48 -3.618 -5.883 -7.050 1.00 0.00 C ATOM 739 C LEU A 48 -2.884 -5.891 -8.342 1.00 0.00 C ATOM 740 O LEU A 48 -1.988 -5.076 -8.569 1.00 0.00 O ATOM 741 CB LEU A 48 -4.613 -4.725 -7.037 1.00 0.00 C ATOM 742 CG LEU A 48 -5.565 -4.651 -5.842 1.00 0.00 C ATOM 743 CD1 LEU A 48 -6.468 -3.445 -5.961 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.394 -5.922 -5.729 1.00 0.00 C ATOM 0 H LEU A 48 -2.309 -4.896 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.184 -6.807 -6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.050 -3.792 -7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.212 -4.781 -7.946 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.966 -4.552 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.139 -3.407 -5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.863 -2.539 -5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.054 -3.518 -6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.063 -5.845 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.982 -6.055 -6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.732 -6.778 -5.597 1.00 0.00 H new ATOM 756 N ASP A 49 -3.231 -6.830 -9.160 1.00 0.00 N ATOM 757 CA ASP A 49 -2.721 -6.941 -10.505 1.00 0.00 C ATOM 758 C ASP A 49 -3.072 -5.691 -11.299 1.00 0.00 C ATOM 759 O ASP A 49 -4.016 -4.970 -10.956 1.00 0.00 O ATOM 760 CB ASP A 49 -3.312 -8.190 -11.180 1.00 0.00 C ATOM 761 CG ASP A 49 -2.902 -8.342 -12.620 1.00 0.00 C ATOM 762 OD1 ASP A 49 -1.785 -8.814 -12.880 1.00 0.00 O ATOM 763 OD2 ASP A 49 -3.693 -7.965 -13.520 1.00 0.00 O ATOM 0 H ASP A 49 -3.894 -7.565 -8.914 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.636 -7.037 -10.473 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.000 -9.075 -10.626 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.400 -8.145 -11.122 1.00 0.00 H new ATOM 768 N GLN A 50 -2.314 -5.439 -12.332 1.00 0.00 N ATOM 769 CA GLN A 50 -2.501 -4.308 -13.236 1.00 0.00 C ATOM 770 C GLN A 50 -3.949 -4.198 -13.735 1.00 0.00 C ATOM 771 O GLN A 50 -4.492 -3.092 -13.873 1.00 0.00 O ATOM 772 CB GLN A 50 -1.556 -4.452 -14.416 1.00 0.00 C ATOM 773 CG GLN A 50 -0.097 -4.212 -14.072 1.00 0.00 C ATOM 774 CD GLN A 50 0.843 -4.452 -15.240 1.00 0.00 C ATOM 775 OE1 GLN A 50 1.350 -5.558 -15.437 1.00 0.00 O ATOM 776 NE2 GLN A 50 1.079 -3.436 -16.024 1.00 0.00 N ATOM 0 H GLN A 50 -1.520 -6.027 -12.586 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.281 -3.395 -12.683 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.660 -5.454 -14.832 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.855 -3.751 -15.195 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.023 -3.186 -13.723 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.187 -4.865 -13.246 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.644 -2.533 -15.834 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.699 -3.545 -16.827 1.00 0.00 H new ATOM 785 N SER A 51 -4.570 -5.336 -13.945 1.00 0.00 N ATOM 786 CA SER A 51 -5.933 -5.396 -14.422 1.00 0.00 C ATOM 787 C SER A 51 -6.894 -5.007 -13.298 1.00 0.00 C ATOM 788 O SER A 51 -7.886 -4.305 -13.513 1.00 0.00 O ATOM 789 CB SER A 51 -6.236 -6.808 -14.895 1.00 0.00 C ATOM 790 OG SER A 51 -5.222 -7.273 -15.788 1.00 0.00 O ATOM 0 H SER A 51 -4.143 -6.249 -13.789 1.00 0.00 H new ATOM 0 HA SER A 51 -6.060 -4.700 -15.251 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.306 -7.477 -14.037 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.204 -6.829 -15.395 1.00 0.00 H new ATOM 0 HG SER A 51 -4.463 -7.616 -15.271 1.00 0.00 H new ATOM 796 N ALA A 52 -6.562 -5.422 -12.091 1.00 0.00 N ATOM 797 CA ALA A 52 -7.380 -5.140 -10.934 1.00 0.00 C ATOM 798 C ALA A 52 -7.271 -3.663 -10.574 1.00 0.00 C ATOM 799 O ALA A 52 -8.257 -3.033 -10.213 1.00 0.00 O ATOM 800 CB ALA A 52 -6.977 -6.028 -9.770 1.00 0.00 C ATOM 0 H ALA A 52 -5.721 -5.962 -11.888 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.422 -5.358 -11.167 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.603 -5.803 -8.907 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.106 -7.074 -10.049 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.932 -5.846 -9.518 1.00 0.00 H new ATOM 806 N ARG A 53 -6.074 -3.103 -10.728 1.00 0.00 N ATOM 807 CA ARG A 53 -5.848 -1.673 -10.489 1.00 0.00 C ATOM 808 C ARG A 53 -6.724 -0.818 -11.407 1.00 0.00 C ATOM 809 O ARG A 53 -7.254 0.214 -10.989 1.00 0.00 O ATOM 810 CB ARG A 53 -4.371 -1.285 -10.679 1.00 0.00 C ATOM 811 CG ARG A 53 -3.401 -1.809 -9.618 1.00 0.00 C ATOM 812 CD ARG A 53 -3.724 -1.275 -8.217 1.00 0.00 C ATOM 813 NE ARG A 53 -3.827 0.200 -8.178 1.00 0.00 N ATOM 814 CZ ARG A 53 -2.858 1.039 -7.787 1.00 0.00 C ATOM 815 NH1 ARG A 53 -1.645 0.587 -7.482 1.00 0.00 N ATOM 816 NH2 ARG A 53 -3.107 2.337 -7.727 1.00 0.00 N ATOM 0 H ARG A 53 -5.241 -3.616 -11.018 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.121 -1.481 -9.451 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.043 -1.646 -11.654 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.301 -0.197 -10.702 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.434 -2.898 -9.605 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.384 -1.524 -9.887 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.663 -1.710 -7.874 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.950 -1.600 -7.522 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.711 0.614 -8.474 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.442 -0.411 -7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.918 1.238 -7.186 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.030 2.691 -7.977 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.376 2.983 -7.431 1.00 0.00 H new ATOM 830 N ALA A 54 -6.893 -1.268 -12.643 1.00 0.00 N ATOM 831 CA ALA A 54 -7.728 -0.573 -13.616 1.00 0.00 C ATOM 832 C ALA A 54 -9.191 -0.600 -13.174 1.00 0.00 C ATOM 833 O ALA A 54 -9.916 0.401 -13.271 1.00 0.00 O ATOM 834 CB ALA A 54 -7.571 -1.207 -14.982 1.00 0.00 C ATOM 0 H ALA A 54 -6.459 -2.120 -12.999 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.408 0.467 -13.678 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.198 -0.681 -15.702 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.529 -1.144 -15.295 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.873 -2.253 -14.934 1.00 0.00 H new ATOM 840 N ARG A 55 -9.611 -1.744 -12.664 1.00 0.00 N ATOM 841 CA ARG A 55 -10.963 -1.919 -12.145 1.00 0.00 C ATOM 842 C ARG A 55 -11.189 -1.038 -10.927 1.00 0.00 C ATOM 843 O ARG A 55 -12.173 -0.306 -10.859 1.00 0.00 O ATOM 844 CB ARG A 55 -11.246 -3.397 -11.820 1.00 0.00 C ATOM 845 CG ARG A 55 -11.848 -4.217 -12.970 1.00 0.00 C ATOM 846 CD ARG A 55 -11.052 -4.132 -14.270 1.00 0.00 C ATOM 847 NE ARG A 55 -11.661 -4.948 -15.331 1.00 0.00 N ATOM 848 CZ ARG A 55 -12.241 -4.478 -16.444 1.00 0.00 C ATOM 849 NH1 ARG A 55 -12.213 -3.183 -16.725 1.00 0.00 N ATOM 850 NH2 ARG A 55 -12.828 -5.318 -17.289 1.00 0.00 N ATOM 0 H ARG A 55 -9.029 -2.579 -12.596 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.665 -1.611 -12.920 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.314 -3.868 -11.508 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.926 -3.441 -10.969 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.915 -5.261 -12.663 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.866 -3.873 -13.155 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.996 -3.093 -14.596 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.030 -4.467 -14.094 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.640 -5.960 -15.209 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.747 -2.534 -16.091 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.658 -2.836 -17.575 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.837 -6.318 -17.090 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.270 -4.963 -18.137 1.00 0.00 H new ATOM 864 N LEU A 56 -10.240 -1.074 -10.005 1.00 0.00 N ATOM 865 CA LEU A 56 -10.287 -0.286 -8.772 1.00 0.00 C ATOM 866 C LEU A 56 -10.411 1.203 -9.090 1.00 0.00 C ATOM 867 O LEU A 56 -11.198 1.922 -8.471 1.00 0.00 O ATOM 868 CB LEU A 56 -9.017 -0.527 -7.947 1.00 0.00 C ATOM 869 CG LEU A 56 -8.945 0.186 -6.594 1.00 0.00 C ATOM 870 CD1 LEU A 56 -9.995 -0.357 -5.644 1.00 0.00 C ATOM 871 CD2 LEU A 56 -7.562 0.063 -5.989 1.00 0.00 C ATOM 0 H LEU A 56 -9.405 -1.655 -10.087 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.159 -0.599 -8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.918 -1.599 -7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.158 -0.219 -8.543 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.148 1.244 -6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.926 0.164 -4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.986 -0.203 -6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.829 -1.423 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.538 0.578 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.321 -0.990 -5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.830 0.512 -6.660 1.00 0.00 H new ATOM 883 N SER A 57 -9.647 1.640 -10.067 1.00 0.00 N ATOM 884 CA SER A 57 -9.647 3.014 -10.494 1.00 0.00 C ATOM 885 C SER A 57 -11.008 3.434 -11.056 1.00 0.00 C ATOM 886 O SER A 57 -11.483 4.531 -10.777 1.00 0.00 O ATOM 887 CB SER A 57 -8.551 3.214 -11.515 1.00 0.00 C ATOM 888 OG SER A 57 -7.276 2.927 -10.936 1.00 0.00 O ATOM 0 H SER A 57 -9.005 1.044 -10.589 1.00 0.00 H new ATOM 0 HA SER A 57 -9.457 3.650 -9.629 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.722 2.566 -12.374 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.569 4.240 -11.882 1.00 0.00 H new ATOM 0 HG SER A 57 -7.083 1.970 -11.027 1.00 0.00 H new ATOM 894 N ASN A 58 -11.621 2.558 -11.825 1.00 0.00 N ATOM 895 CA ASN A 58 -12.950 2.827 -12.385 1.00 0.00 C ATOM 896 C ASN A 58 -13.992 2.939 -11.268 1.00 0.00 C ATOM 897 O ASN A 58 -14.828 3.850 -11.274 1.00 0.00 O ATOM 898 CB ASN A 58 -13.359 1.751 -13.408 1.00 0.00 C ATOM 899 CG ASN A 58 -14.701 2.049 -14.081 1.00 0.00 C ATOM 900 OD1 ASN A 58 -14.758 2.748 -15.097 1.00 0.00 O ATOM 901 ND2 ASN A 58 -15.765 1.487 -13.577 1.00 0.00 N ATOM 0 H ASN A 58 -11.230 1.652 -12.082 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.903 3.780 -12.911 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.585 1.670 -14.172 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.416 0.784 -12.908 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.672 1.620 -14.024 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.690 0.914 -12.736 1.00 0.00 H new ATOM 908 N LEU A 59 -13.913 2.032 -10.288 1.00 0.00 N ATOM 909 CA LEU A 59 -14.820 2.050 -9.132 1.00 0.00 C ATOM 910 C LEU A 59 -14.723 3.350 -8.356 1.00 0.00 C ATOM 911 O LEU A 59 -15.737 3.866 -7.872 1.00 0.00 O ATOM 912 CB LEU A 59 -14.583 0.858 -8.181 1.00 0.00 C ATOM 913 CG LEU A 59 -15.380 -0.437 -8.442 1.00 0.00 C ATOM 914 CD1 LEU A 59 -16.878 -0.184 -8.346 1.00 0.00 C ATOM 915 CD2 LEU A 59 -15.030 -1.062 -9.778 1.00 0.00 C ATOM 0 H LEU A 59 -13.230 1.275 -10.271 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.826 1.963 -9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.522 0.611 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.804 1.189 -7.166 1.00 0.00 H new ATOM 0 HG LEU A 59 -15.097 -1.147 -7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -17.417 -1.113 -8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -17.122 0.181 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -17.169 0.561 -9.087 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.615 -1.971 -9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.255 -0.358 -10.579 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.968 -1.307 -9.798 1.00 0.00 H new ATOM 927 N ALA A 60 -13.517 3.898 -8.296 1.00 0.00 N ATOM 928 CA ALA A 60 -13.220 5.129 -7.555 1.00 0.00 C ATOM 929 C ALA A 60 -14.011 6.337 -8.069 1.00 0.00 C ATOM 930 O ALA A 60 -14.172 7.329 -7.356 1.00 0.00 O ATOM 931 CB ALA A 60 -11.730 5.422 -7.607 1.00 0.00 C ATOM 0 H ALA A 60 -12.703 3.500 -8.764 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.529 4.962 -6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.520 6.338 -7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.180 4.594 -7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.419 5.545 -8.645 1.00 0.00 H new ATOM 937 N LEU A 61 -14.472 6.264 -9.301 1.00 0.00 N ATOM 938 CA LEU A 61 -15.246 7.345 -9.880 1.00 0.00 C ATOM 939 C LEU A 61 -16.736 7.150 -9.666 1.00 0.00 C ATOM 940 O LEU A 61 -17.487 8.127 -9.577 1.00 0.00 O ATOM 941 CB LEU A 61 -14.952 7.548 -11.385 1.00 0.00 C ATOM 942 CG LEU A 61 -13.653 8.289 -11.770 1.00 0.00 C ATOM 943 CD1 LEU A 61 -12.408 7.531 -11.353 1.00 0.00 C ATOM 944 CD2 LEU A 61 -13.628 8.574 -13.263 1.00 0.00 C ATOM 0 H LEU A 61 -14.325 5.468 -9.921 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.933 8.247 -9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.930 6.566 -11.858 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.790 8.093 -11.820 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.649 9.233 -11.225 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.523 8.095 -11.647 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.409 7.396 -10.271 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -12.395 6.556 -11.840 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.706 9.097 -13.518 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.677 7.635 -13.814 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.483 9.195 -13.529 1.00 0.00 H new ATOM 956 N VAL A 62 -17.168 5.915 -9.555 1.00 0.00 N ATOM 957 CA VAL A 62 -18.591 5.639 -9.443 1.00 0.00 C ATOM 958 C VAL A 62 -19.066 5.520 -7.989 1.00 0.00 C ATOM 959 O VAL A 62 -19.992 6.223 -7.581 1.00 0.00 O ATOM 960 CB VAL A 62 -19.058 4.426 -10.316 1.00 0.00 C ATOM 961 CG1 VAL A 62 -18.841 4.734 -11.789 1.00 0.00 C ATOM 962 CG2 VAL A 62 -18.324 3.141 -9.954 1.00 0.00 C ATOM 0 H VAL A 62 -16.567 5.091 -9.539 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.083 6.518 -9.859 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.118 4.272 -10.116 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.168 3.886 -12.390 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -19.417 5.618 -12.065 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -17.782 4.920 -11.970 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.681 2.328 -10.586 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -17.254 3.277 -10.109 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.511 2.897 -8.908 1.00 0.00 H new ATOM 972 N LYS A 63 -18.418 4.679 -7.200 1.00 0.00 N ATOM 973 CA LYS A 63 -18.800 4.491 -5.807 1.00 0.00 C ATOM 974 C LYS A 63 -17.550 4.456 -4.951 1.00 0.00 C ATOM 975 O LYS A 63 -17.059 3.365 -4.601 1.00 0.00 O ATOM 976 CB LYS A 63 -19.618 3.196 -5.592 1.00 0.00 C ATOM 977 CG LYS A 63 -20.896 3.101 -6.433 1.00 0.00 C ATOM 978 CD LYS A 63 -21.639 1.776 -6.228 1.00 0.00 C ATOM 979 CE LYS A 63 -22.153 1.597 -4.797 1.00 0.00 C ATOM 980 NZ LYS A 63 -23.133 2.636 -4.405 1.00 0.00 N ATOM 0 H LYS A 63 -17.623 4.114 -7.499 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.438 5.327 -5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -18.984 2.339 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -19.886 3.122 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.558 3.928 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.642 3.212 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -22.480 1.726 -6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -20.973 0.950 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -22.615 0.614 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -21.309 1.621 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -23.535 2.401 -3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -22.658 3.560 -4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -23.895 2.679 -5.111 1.00 0.00 H new ATOM 994 N PRO A 64 -17.005 5.641 -4.606 1.00 0.00 N ATOM 995 CA PRO A 64 -15.738 5.765 -3.856 1.00 0.00 C ATOM 996 C PRO A 64 -15.796 5.095 -2.496 1.00 0.00 C ATOM 997 O PRO A 64 -14.782 4.637 -1.974 1.00 0.00 O ATOM 998 CB PRO A 64 -15.554 7.276 -3.687 1.00 0.00 C ATOM 999 CG PRO A 64 -16.404 7.885 -4.744 1.00 0.00 C ATOM 1000 CD PRO A 64 -17.573 6.967 -4.913 1.00 0.00 C ATOM 0 HA PRO A 64 -14.918 5.278 -4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -15.863 7.603 -2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.509 7.563 -3.806 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.731 8.884 -4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.851 7.989 -5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.388 7.223 -4.236 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.975 7.009 -5.925 1.00 0.00 H new ATOM 1008 N GLU A 65 -16.986 5.019 -1.932 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.181 4.378 -0.640 1.00 0.00 C ATOM 1010 C GLU A 65 -16.825 2.903 -0.716 1.00 0.00 C ATOM 1011 O GLU A 65 -16.207 2.354 0.191 1.00 0.00 O ATOM 1012 CB GLU A 65 -18.618 4.512 -0.110 1.00 0.00 C ATOM 1013 CG GLU A 65 -19.116 5.940 0.105 1.00 0.00 C ATOM 1014 CD GLU A 65 -19.366 6.675 -1.185 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -20.373 6.367 -1.872 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -18.558 7.534 -1.556 1.00 0.00 O ATOM 0 H GLU A 65 -17.838 5.394 -2.348 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.519 4.896 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.291 4.014 -0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -18.688 3.976 0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -20.037 5.914 0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -18.382 6.490 0.694 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.183 2.262 -1.819 1.00 0.00 N ATOM 1024 CA LYS A 66 -16.912 0.853 -1.954 1.00 0.00 C ATOM 1025 C LYS A 66 -15.462 0.660 -2.314 1.00 0.00 C ATOM 1026 O LYS A 66 -14.858 -0.343 -1.952 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.846 0.169 -2.957 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.327 0.475 -2.728 1.00 0.00 C ATOM 1029 CD LYS A 66 -19.791 0.199 -1.291 1.00 0.00 C ATOM 1030 CE LYS A 66 -19.620 -1.251 -0.877 1.00 0.00 C ATOM 1031 NZ LYS A 66 -20.223 -1.510 0.450 1.00 0.00 N ATOM 0 H LYS A 66 -17.653 2.692 -2.616 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.109 0.371 -0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.572 0.480 -3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.695 -0.909 -2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.516 1.521 -2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.925 -0.123 -3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.230 0.835 -0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.841 0.476 -1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.082 -1.900 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.559 -1.501 -0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.059 -2.501 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.788 -0.884 1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.246 -1.327 0.408 1.00 0.00 H new ATOM 1045 N THR A 67 -14.904 1.645 -3.009 1.00 0.00 N ATOM 1046 CA THR A 67 -13.503 1.648 -3.342 1.00 0.00 C ATOM 1047 C THR A 67 -12.699 1.708 -2.037 1.00 0.00 C ATOM 1048 O THR A 67 -11.779 0.935 -1.834 1.00 0.00 O ATOM 1049 CB THR A 67 -13.181 2.881 -4.180 1.00 0.00 C ATOM 1050 OG1 THR A 67 -14.201 3.036 -5.173 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.849 2.714 -4.874 1.00 0.00 C ATOM 0 H THR A 67 -15.417 2.457 -3.352 1.00 0.00 H new ATOM 0 HA THR A 67 -13.251 0.751 -3.907 1.00 0.00 H new ATOM 0 HB THR A 67 -13.136 3.755 -3.530 1.00 0.00 H new ATOM 0 HG1 THR A 67 -14.635 2.172 -5.334 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.634 3.602 -5.468 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.065 2.577 -4.129 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.886 1.842 -5.527 1.00 0.00 H new ATOM 1059 N LYS A 68 -13.121 2.602 -1.148 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.527 2.778 0.165 1.00 0.00 C ATOM 1061 C LYS A 68 -12.593 1.459 0.926 1.00 0.00 C ATOM 1062 O LYS A 68 -11.602 1.002 1.500 1.00 0.00 O ATOM 1063 CB LYS A 68 -13.326 3.843 0.934 1.00 0.00 C ATOM 1064 CG LYS A 68 -12.736 4.256 2.284 1.00 0.00 C ATOM 1065 CD LYS A 68 -11.435 5.040 2.134 1.00 0.00 C ATOM 1066 CE LYS A 68 -11.656 6.346 1.375 1.00 0.00 C ATOM 1067 NZ LYS A 68 -10.426 7.154 1.290 1.00 0.00 N ATOM 0 H LYS A 68 -13.901 3.235 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.488 3.092 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.413 4.731 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.336 3.468 1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.462 4.863 2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.553 3.366 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.023 5.256 3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.700 4.431 1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.013 6.124 0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.436 6.925 1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.622 8.031 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.098 7.389 2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.689 6.613 0.795 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.771 0.847 0.893 1.00 0.00 N ATOM 1082 CA ALA A 69 -14.024 -0.409 1.566 1.00 0.00 C ATOM 1083 C ALA A 69 -13.112 -1.521 1.059 1.00 0.00 C ATOM 1084 O ALA A 69 -12.522 -2.260 1.880 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.484 -0.810 1.432 1.00 0.00 C ATOM 0 H ALA A 69 -14.580 1.216 0.393 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.800 -0.260 2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.650 -1.757 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.115 -0.041 1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.736 -0.920 0.377 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.981 -1.647 -0.266 1.00 0.00 N ATOM 1092 CA VAL A 70 -12.116 -2.671 -0.823 1.00 0.00 C ATOM 1093 C VAL A 70 -10.642 -2.351 -0.599 1.00 0.00 C ATOM 1094 O VAL A 70 -9.900 -3.234 -0.218 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.404 -3.052 -2.315 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.801 -3.615 -2.468 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -12.211 -1.887 -3.259 1.00 0.00 C ATOM 0 H VAL A 70 -13.456 -1.062 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.366 -3.570 -0.259 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.676 -3.817 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.977 -3.872 -3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.903 -4.509 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.530 -2.870 -2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.424 -2.206 -4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.889 -1.079 -2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.181 -1.535 -3.196 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.238 -1.078 -0.771 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.851 -0.658 -0.497 1.00 0.00 C ATOM 1109 C GLU A 71 -8.457 -1.071 0.903 1.00 0.00 C ATOM 1110 O GLU A 71 -7.453 -1.749 1.105 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.677 0.861 -0.624 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.657 1.407 -2.033 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.468 2.903 -2.038 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -7.458 3.392 -1.470 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -9.328 3.626 -2.572 1.00 0.00 O ATOM 0 H GLU A 71 -10.848 -0.328 -1.096 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.214 -1.144 -1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.486 1.347 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.746 1.143 -0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.853 0.935 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.590 1.154 -2.536 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.299 -0.704 1.848 1.00 0.00 N ATOM 1123 CA ASN A 72 -9.121 -1.006 3.249 1.00 0.00 C ATOM 1124 C ASN A 72 -9.044 -2.525 3.481 1.00 0.00 C ATOM 1125 O ASN A 72 -8.272 -3.004 4.314 1.00 0.00 O ATOM 1126 CB ASN A 72 -10.296 -0.415 4.018 1.00 0.00 C ATOM 1127 CG ASN A 72 -10.147 -0.503 5.504 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -10.554 -1.490 6.123 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -9.610 0.527 6.078 1.00 0.00 N ATOM 0 H ASN A 72 -10.148 -0.173 1.655 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.184 -0.573 3.598 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.415 0.631 3.735 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.209 -0.931 3.722 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.506 0.549 7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.291 1.316 5.515 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.821 -3.275 2.705 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.855 -4.727 2.821 1.00 0.00 C ATOM 1138 C TYR A 73 -8.526 -5.304 2.330 1.00 0.00 C ATOM 1139 O TYR A 73 -7.946 -6.180 2.973 1.00 0.00 O ATOM 1140 CB TYR A 73 -11.038 -5.310 2.018 1.00 0.00 C ATOM 1141 CG TYR A 73 -11.268 -6.803 2.214 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -10.604 -7.751 1.434 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -12.148 -7.262 3.184 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -10.816 -9.102 1.620 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -12.366 -8.613 3.374 1.00 0.00 C ATOM 1146 CZ TYR A 73 -11.699 -9.527 2.591 1.00 0.00 C ATOM 1147 OH TYR A 73 -11.918 -10.876 2.773 1.00 0.00 O ATOM 0 H TYR A 73 -10.438 -2.897 1.986 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.998 -5.002 3.866 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.947 -4.777 2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.869 -5.119 0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.913 -7.422 0.672 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.673 -6.549 3.803 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.293 -9.823 1.009 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -13.056 -8.950 4.133 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.825 -11.097 3.723 1.00 0.00 H new ATOM 1157 N LEU A 74 -8.042 -4.789 1.206 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.767 -5.218 0.654 1.00 0.00 C ATOM 1159 C LEU A 74 -5.598 -4.852 1.560 1.00 0.00 C ATOM 1160 O LEU A 74 -4.659 -5.618 1.666 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.530 -4.761 -0.805 1.00 0.00 C ATOM 1162 CG LEU A 74 -7.233 -5.565 -1.942 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.902 -7.046 -1.871 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.731 -5.364 -1.969 1.00 0.00 C ATOM 0 H LEU A 74 -8.517 -4.071 0.659 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.824 -6.306 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.846 -3.721 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.457 -4.784 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.836 -5.163 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.410 -7.572 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.825 -7.183 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.233 -7.447 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.162 -5.949 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.159 -5.689 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.954 -4.308 -2.124 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.657 -3.676 2.209 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.625 -3.278 3.202 1.00 0.00 C ATOM 1178 C ILE A 75 -4.536 -4.365 4.287 1.00 0.00 C ATOM 1179 O ILE A 75 -3.447 -4.829 4.662 1.00 0.00 O ATOM 1180 CB ILE A 75 -4.986 -1.930 3.921 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -5.169 -0.783 2.919 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -3.912 -1.562 4.956 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.596 0.524 3.561 1.00 0.00 C ATOM 0 H ILE A 75 -6.396 -2.987 2.071 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.685 -3.153 2.665 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.936 -2.081 4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.232 -0.626 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.914 -1.074 2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.182 -0.625 5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.842 -2.352 5.704 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.950 -1.448 4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.706 1.288 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.549 0.384 4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.841 0.839 4.281 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.706 -4.773 4.751 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.859 -5.787 5.780 1.00 0.00 C ATOM 1197 C GLN A 76 -5.332 -7.144 5.274 1.00 0.00 C ATOM 1198 O GLN A 76 -4.635 -7.861 5.998 1.00 0.00 O ATOM 1199 CB GLN A 76 -7.361 -5.843 6.182 1.00 0.00 C ATOM 1200 CG GLN A 76 -7.734 -6.727 7.377 1.00 0.00 C ATOM 1201 CD GLN A 76 -7.752 -8.222 7.092 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -8.129 -8.612 5.888 1.00 0.00 O flip ATOM 1203 NE2 GLN A 76 -7.467 -9.023 7.973 1.00 0.00 N flip ATOM 0 H GLN A 76 -6.594 -4.400 4.415 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.271 -5.539 6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.691 -4.827 6.398 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.929 -6.186 5.318 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.029 -6.535 8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.719 -6.429 7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.179 -8.689 8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.517 -10.025 7.787 1.00 0.00 H new ATOM 1212 N MET A 77 -5.642 -7.461 4.027 1.00 0.00 N ATOM 1213 CA MET A 77 -5.224 -8.715 3.401 1.00 0.00 C ATOM 1214 C MET A 77 -3.701 -8.731 3.182 1.00 0.00 C ATOM 1215 O MET A 77 -3.034 -9.752 3.390 1.00 0.00 O ATOM 1216 CB MET A 77 -5.955 -8.896 2.066 1.00 0.00 C ATOM 1217 CG MET A 77 -5.647 -10.201 1.346 1.00 0.00 C ATOM 1218 SD MET A 77 -6.561 -10.361 -0.201 1.00 0.00 S ATOM 1219 CE MET A 77 -5.929 -11.925 -0.797 1.00 0.00 C ATOM 0 H MET A 77 -6.192 -6.858 3.415 1.00 0.00 H new ATOM 0 HA MET A 77 -5.481 -9.541 4.064 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.029 -8.840 2.244 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.697 -8.065 1.410 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.578 -10.257 1.141 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.891 -11.040 1.998 1.00 0.00 H new ATOM 0 HE1 MET A 77 -6.398 -12.167 -1.751 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.850 -11.854 -0.931 1.00 0.00 H new ATOM 0 HE3 MET A 77 -6.154 -12.708 -0.073 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.164 -7.581 2.791 1.00 0.00 N ATOM 1230 CA ALA A 78 -1.736 -7.391 2.551 1.00 0.00 C ATOM 1231 C ALA A 78 -0.934 -7.644 3.809 1.00 0.00 C ATOM 1232 O ALA A 78 0.199 -8.126 3.751 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.461 -5.988 2.034 1.00 0.00 C ATOM 0 H ALA A 78 -3.717 -6.739 2.629 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.428 -8.113 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.392 -5.867 1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.999 -5.833 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.795 -5.257 2.770 1.00 0.00 H new ATOM 1353 N LYS A 86 -0.350 -11.305 -7.524 1.00 0.00 N ATOM 1354 CA LYS A 86 -1.285 -10.250 -7.372 1.00 0.00 C ATOM 1355 C LYS A 86 -2.700 -10.789 -7.525 1.00 0.00 C ATOM 1356 O LYS A 86 -2.917 -11.837 -8.164 1.00 0.00 O ATOM 1357 CB LYS A 86 -1.005 -9.185 -8.407 1.00 0.00 C ATOM 1358 CG LYS A 86 0.381 -8.576 -8.312 1.00 0.00 C ATOM 1359 CD LYS A 86 0.607 -7.575 -9.416 1.00 0.00 C ATOM 1360 CE LYS A 86 2.021 -7.029 -9.415 1.00 0.00 C ATOM 1361 NZ LYS A 86 2.255 -6.144 -10.574 1.00 0.00 N ATOM 0 HA LYS A 86 -1.190 -9.812 -6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.133 -9.616 -9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.746 -8.392 -8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.503 -8.089 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.133 -9.363 -8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.402 -8.045 -10.378 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.099 -6.751 -9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.200 -6.478 -8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.732 -7.855 -9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.231 -5.786 -10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.107 -6.678 -11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.592 -5.344 -10.539 1.00 0.00 H new ATOM 1375 N VAL A 87 -3.632 -10.115 -6.912 1.00 0.00 N ATOM 1376 CA VAL A 87 -5.029 -10.444 -6.999 1.00 0.00 C ATOM 1377 C VAL A 87 -5.543 -9.939 -8.334 1.00 0.00 C ATOM 1378 O VAL A 87 -5.273 -8.796 -8.720 1.00 0.00 O ATOM 1379 CB VAL A 87 -5.840 -9.789 -5.838 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -7.318 -10.143 -5.913 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -5.272 -10.191 -4.486 1.00 0.00 C ATOM 0 H VAL A 87 -3.439 -9.304 -6.325 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.153 -11.524 -6.916 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.748 -8.709 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.848 -9.668 -5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.729 -9.791 -6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.437 -11.224 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.854 -9.722 -3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.320 -11.275 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.234 -9.865 -4.416 1.00 0.00 H new ATOM 1391 N SER A 88 -6.246 -10.777 -9.031 1.00 0.00 N ATOM 1392 CA SER A 88 -6.740 -10.463 -10.337 1.00 0.00 C ATOM 1393 C SER A 88 -8.084 -9.735 -10.246 1.00 0.00 C ATOM 1394 O SER A 88 -8.610 -9.514 -9.139 1.00 0.00 O ATOM 1395 CB SER A 88 -6.885 -11.759 -11.125 1.00 0.00 C ATOM 1396 OG SER A 88 -5.654 -12.467 -11.159 1.00 0.00 O ATOM 0 H SER A 88 -6.496 -11.711 -8.705 1.00 0.00 H new ATOM 0 HA SER A 88 -6.040 -9.800 -10.844 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.656 -12.382 -10.671 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.211 -11.538 -12.141 1.00 0.00 H new ATOM 0 HG SER A 88 -5.768 -13.297 -11.668 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.638 -9.383 -11.409 1.00 0.00 N ATOM 1403 CA GLU A 89 -9.927 -8.697 -11.500 1.00 0.00 C ATOM 1404 C GLU A 89 -10.996 -9.473 -10.781 1.00 0.00 C ATOM 1405 O GLU A 89 -11.721 -8.922 -9.977 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.343 -8.580 -12.945 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.512 -7.662 -13.781 1.00 0.00 C ATOM 1408 CD GLU A 89 -9.826 -7.850 -15.227 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -10.948 -7.533 -15.644 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -8.961 -8.346 -15.968 1.00 0.00 O ATOM 0 H GLU A 89 -8.204 -9.566 -12.314 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.812 -7.712 -11.047 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.319 -9.573 -13.393 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.378 -8.239 -12.981 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.699 -6.628 -13.493 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.454 -7.856 -13.604 1.00 0.00 H new ATOM 1417 N GLN A 90 -11.041 -10.761 -11.064 1.00 0.00 N ATOM 1418 CA GLN A 90 -12.045 -11.666 -10.523 1.00 0.00 C ATOM 1419 C GLN A 90 -12.055 -11.614 -9.003 1.00 0.00 C ATOM 1420 O GLN A 90 -13.108 -11.434 -8.392 1.00 0.00 O ATOM 1421 CB GLN A 90 -11.795 -13.117 -10.984 1.00 0.00 C ATOM 1422 CG GLN A 90 -11.833 -13.384 -12.500 1.00 0.00 C ATOM 1423 CD GLN A 90 -10.692 -12.751 -13.287 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -9.582 -12.549 -12.766 1.00 0.00 O ATOM 1425 NE2 GLN A 90 -10.935 -12.451 -14.530 1.00 0.00 N ATOM 0 H GLN A 90 -10.373 -11.218 -11.685 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.014 -11.340 -10.900 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.820 -13.428 -10.609 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -12.538 -13.757 -10.508 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -11.817 -14.461 -12.666 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.779 -13.014 -12.897 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.857 -12.630 -14.927 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.203 -12.037 -15.107 1.00 0.00 H new ATOM 1434 N GLY A 91 -10.869 -11.721 -8.414 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.726 -11.705 -6.976 1.00 0.00 C ATOM 1436 C GLY A 91 -11.129 -10.379 -6.371 1.00 0.00 C ATOM 1437 O GLY A 91 -11.812 -10.346 -5.346 1.00 0.00 O ATOM 0 H GLY A 91 -9.990 -11.820 -8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.336 -12.499 -6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.690 -11.921 -6.714 1.00 0.00 H new ATOM 1441 N LEU A 92 -10.720 -9.286 -7.010 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.075 -7.948 -6.545 1.00 0.00 C ATOM 1443 C LEU A 92 -12.580 -7.748 -6.620 1.00 0.00 C ATOM 1444 O LEU A 92 -13.195 -7.234 -5.689 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.373 -6.864 -7.373 1.00 0.00 C ATOM 1446 CG LEU A 92 -10.728 -5.410 -7.003 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.263 -5.065 -5.595 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.161 -4.435 -8.015 1.00 0.00 C ATOM 0 H LEU A 92 -10.143 -9.300 -7.851 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.745 -7.859 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.296 -6.994 -7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.614 -7.022 -8.424 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.814 -5.323 -7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.529 -4.033 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.745 -5.731 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.181 -5.184 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.427 -3.418 -7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.076 -4.532 -8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.572 -4.654 -9.001 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.167 -8.183 -7.717 1.00 0.00 N ATOM 1461 CA ILE A 93 -14.593 -8.064 -7.923 1.00 0.00 C ATOM 1462 C ILE A 93 -15.359 -8.912 -6.899 1.00 0.00 C ATOM 1463 O ILE A 93 -16.414 -8.506 -6.428 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.000 -8.404 -9.395 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.364 -7.375 -10.351 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -16.519 -8.402 -9.561 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -14.600 -7.653 -11.821 1.00 0.00 C ATOM 0 H ILE A 93 -12.669 -8.628 -8.488 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.871 -7.022 -7.763 1.00 0.00 H new ATOM 0 HB ILE A 93 -14.637 -9.404 -9.634 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -14.757 -6.386 -10.114 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.290 -7.344 -10.168 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -16.772 -8.641 -10.594 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -16.959 -9.147 -8.897 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -16.911 -7.416 -9.310 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.118 -6.880 -12.419 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.181 -8.626 -12.079 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -15.671 -7.654 -12.024 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.802 -10.062 -6.516 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.416 -10.874 -5.468 1.00 0.00 C ATOM 1481 C GLU A 94 -15.379 -10.140 -4.134 1.00 0.00 C ATOM 1482 O GLU A 94 -16.342 -10.177 -3.377 1.00 0.00 O ATOM 1483 CB GLU A 94 -14.780 -12.261 -5.343 1.00 0.00 C ATOM 1484 CG GLU A 94 -15.043 -13.163 -6.532 1.00 0.00 C ATOM 1485 CD GLU A 94 -14.532 -14.559 -6.324 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -15.141 -15.315 -5.543 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -13.533 -14.950 -6.955 1.00 0.00 O ATOM 0 H GLU A 94 -13.942 -10.446 -6.908 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.455 -11.033 -5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.703 -12.147 -5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -15.158 -12.744 -4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -16.115 -13.198 -6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -14.572 -12.736 -7.418 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.281 -9.442 -3.873 1.00 0.00 N ATOM 1495 CA ILE A 95 -14.158 -8.642 -2.661 1.00 0.00 C ATOM 1496 C ILE A 95 -15.155 -7.470 -2.711 1.00 0.00 C ATOM 1497 O ILE A 95 -15.772 -7.115 -1.699 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.697 -8.127 -2.446 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.742 -9.326 -2.303 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.618 -7.228 -1.223 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -10.275 -8.953 -2.232 1.00 0.00 C ATOM 0 H ILE A 95 -13.464 -9.414 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.395 -9.278 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.398 -7.538 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.007 -9.881 -1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.893 -9.998 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.593 -6.881 -1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.277 -6.370 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.927 -7.787 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.674 -9.857 -2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -9.989 -8.426 -3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.105 -8.307 -1.370 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.332 -6.917 -3.901 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.298 -5.853 -4.140 1.00 0.00 C ATOM 1515 C LEU A 96 -17.711 -6.362 -3.847 1.00 0.00 C ATOM 1516 O LEU A 96 -18.478 -5.719 -3.119 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.202 -5.363 -5.589 1.00 0.00 C ATOM 1518 CG LEU A 96 -17.115 -4.197 -5.973 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.735 -2.936 -5.208 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -17.066 -3.962 -7.472 1.00 0.00 C ATOM 0 H LEU A 96 -14.809 -7.194 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.076 -5.017 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.171 -5.068 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.423 -6.202 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.139 -4.454 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.398 -2.121 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.830 -3.118 -4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.705 -2.666 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.720 -3.130 -7.731 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.044 -3.727 -7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.398 -4.860 -7.992 1.00 0.00 H new ATOM 1532 N LYS A 97 -18.033 -7.531 -4.394 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.315 -8.189 -4.154 1.00 0.00 C ATOM 1534 C LYS A 97 -19.497 -8.452 -2.676 1.00 0.00 C ATOM 1535 O LYS A 97 -20.557 -8.206 -2.123 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.398 -9.517 -4.913 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.439 -9.387 -6.423 1.00 0.00 C ATOM 1538 CD LYS A 97 -19.349 -10.748 -7.086 1.00 0.00 C ATOM 1539 CE LYS A 97 -19.497 -10.640 -8.590 1.00 0.00 C ATOM 1540 NZ LYS A 97 -19.272 -11.932 -9.259 1.00 0.00 N ATOM 0 H LYS A 97 -17.413 -8.049 -5.016 1.00 0.00 H new ATOM 0 HA LYS A 97 -20.104 -7.527 -4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.539 -10.130 -4.639 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.289 -10.052 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -20.362 -8.892 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.615 -8.758 -6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.391 -11.209 -6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.126 -11.401 -6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.496 -10.276 -8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.789 -9.905 -8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -19.383 -11.815 -10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.310 -12.268 -9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.964 -12.627 -8.913 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.448 -8.924 -2.045 1.00 0.00 N ATOM 1555 CA LYS A 98 -18.448 -9.236 -0.647 1.00 0.00 C ATOM 1556 C LYS A 98 -18.767 -8.004 0.208 1.00 0.00 C ATOM 1557 O LYS A 98 -19.648 -8.057 1.074 1.00 0.00 O ATOM 1558 CB LYS A 98 -17.098 -9.806 -0.274 1.00 0.00 C ATOM 1559 CG LYS A 98 -17.007 -10.317 1.126 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.649 -10.890 1.376 1.00 0.00 C ATOM 1561 CE LYS A 98 -15.603 -11.546 2.729 1.00 0.00 C ATOM 1562 NZ LYS A 98 -14.296 -12.144 3.027 1.00 0.00 N ATOM 0 H LYS A 98 -17.555 -9.103 -2.504 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.229 -9.971 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.859 -10.618 -0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.340 -9.035 -0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.204 -9.509 1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.768 -11.079 1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.405 -11.618 0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.898 -10.102 1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.843 -10.808 3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.371 -12.318 2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.265 -12.430 4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.150 -12.978 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.546 -11.448 2.843 1.00 0.00 H new ATOM 1576 N VAL A 99 -18.084 -6.891 -0.049 1.00 0.00 N ATOM 1577 CA VAL A 99 -18.313 -5.680 0.732 1.00 0.00 C ATOM 1578 C VAL A 99 -19.650 -5.013 0.391 1.00 0.00 C ATOM 1579 O VAL A 99 -20.138 -4.173 1.145 1.00 0.00 O ATOM 1580 CB VAL A 99 -17.154 -4.640 0.653 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.853 -5.234 1.161 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -16.986 -4.086 -0.753 1.00 0.00 C ATOM 0 H VAL A 99 -17.378 -6.803 -0.780 1.00 0.00 H new ATOM 0 HA VAL A 99 -18.349 -6.028 1.764 1.00 0.00 H new ATOM 0 HB VAL A 99 -17.424 -3.806 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -15.062 -4.487 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.975 -5.542 2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.587 -6.100 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -16.169 -3.365 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.761 -4.901 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.908 -3.594 -1.063 1.00 0.00 H new ATOM 1592 N SER A 100 -20.202 -5.345 -0.747 1.00 0.00 N ATOM 1593 CA SER A 100 -21.504 -4.862 -1.132 1.00 0.00 C ATOM 1594 C SER A 100 -22.627 -5.746 -0.518 1.00 0.00 C ATOM 1595 O SER A 100 -23.541 -5.240 0.140 1.00 0.00 O ATOM 1596 CB SER A 100 -21.602 -4.813 -2.676 1.00 0.00 C ATOM 1597 OG SER A 100 -22.872 -4.366 -3.124 1.00 0.00 O ATOM 0 H SER A 100 -19.762 -5.958 -1.434 1.00 0.00 H new ATOM 0 HA SER A 100 -21.641 -3.853 -0.744 1.00 0.00 H new ATOM 0 HB2 SER A 100 -20.829 -4.151 -3.065 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.406 -5.806 -3.081 1.00 0.00 H new ATOM 0 HG SER A 100 -22.886 -4.350 -4.104 1.00 0.00 H new