USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 612 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 61 SER OG : rot 180:sc= -0.091 USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -173:sc= 0.998 (180deg=-0.437) USER MOD Set 2.2: A 68 GLN : amide:sc= 0.37 K(o=1.4,f=-4.4) USER MOD Single : A 6 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0145) USER MOD Single : A 16 THR OG1 : rot 14:sc= 1.21 USER MOD Single : A 26 GLN : amide:sc= -0.9 X(o=-0.9,f=-0.66) USER MOD Single : A 28 TYR OH : rot -143:sc= 1.26 USER MOD Single : A 31 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 33 GLN : amide:sc= -0.135 K(o=-0.14,f=-0.83) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.362 K(o=-0.36,f=-0.9) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.174 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 90:sc= 0.544 USER MOD Single : A 58 TYR OH : rot 110:sc= -1.02 USER MOD Single : A 60 GLN : amide:sc= -1.12 K(o=-1.1,f=0) USER MOD Single : A 66 THR OG1 : rot -150:sc= 0 USER MOD Single : A 71 SER OG : rot -25:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -6.094 -11.235 -0.167 1.00 0.00 N ATOM 78 CA LYS A 6 -4.708 -10.906 -0.098 1.00 0.00 C ATOM 79 C LYS A 6 -4.457 -9.815 -1.098 1.00 0.00 C ATOM 80 O LYS A 6 -4.355 -10.066 -2.308 1.00 0.00 O ATOM 81 CB LYS A 6 -3.788 -12.094 -0.363 1.00 0.00 C ATOM 82 CG LYS A 6 -3.760 -13.136 0.741 1.00 0.00 C ATOM 83 CD LYS A 6 -2.658 -14.163 0.494 1.00 0.00 C ATOM 84 CE LYS A 6 -2.920 -15.013 -0.743 1.00 0.00 C ATOM 85 NZ LYS A 6 -4.031 -15.965 -0.536 1.00 0.00 N ATOM 0 HA LYS A 6 -4.478 -10.583 0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.098 -12.576 -1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.775 -11.723 -0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.599 -12.648 1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.725 -13.639 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.704 -13.648 0.382 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.569 -14.812 1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.152 -14.363 -1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.015 -15.563 -1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.110 -16.592 -1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.846 -16.535 0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.920 -15.440 -0.414 1.00 0.00 H new ATOM 99 N LEU A 7 -4.410 -8.617 -0.598 1.00 0.00 N ATOM 100 CA LEU A 7 -4.265 -7.443 -1.400 1.00 0.00 C ATOM 101 C LEU A 7 -2.843 -7.378 -1.910 1.00 0.00 C ATOM 102 O LEU A 7 -1.885 -7.292 -1.122 1.00 0.00 O ATOM 103 CB LEU A 7 -4.643 -6.161 -0.607 1.00 0.00 C ATOM 104 CG LEU A 7 -6.126 -6.008 -0.129 1.00 0.00 C ATOM 105 CD1 LEU A 7 -6.505 -7.007 0.956 1.00 0.00 C ATOM 106 CD2 LEU A 7 -6.395 -4.596 0.347 1.00 0.00 C ATOM 0 H LEU A 7 -4.473 -8.426 0.402 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.951 -7.496 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.001 -6.110 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.401 -5.299 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.751 -6.223 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.544 -6.852 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.382 -8.021 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.861 -6.864 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.431 -4.514 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.732 -4.360 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.216 -3.896 -0.469 1.00 0.00 H new ATOM 118 N VAL A 8 -2.708 -7.488 -3.207 1.00 0.00 N ATOM 119 CA VAL A 8 -1.422 -7.505 -3.843 1.00 0.00 C ATOM 120 C VAL A 8 -0.989 -6.098 -4.188 1.00 0.00 C ATOM 121 O VAL A 8 -1.703 -5.368 -4.886 1.00 0.00 O ATOM 122 CB VAL A 8 -1.421 -8.394 -5.122 1.00 0.00 C ATOM 123 CG1 VAL A 8 -0.044 -8.413 -5.779 1.00 0.00 C ATOM 124 CG2 VAL A 8 -1.858 -9.809 -4.786 1.00 0.00 C ATOM 0 H VAL A 8 -3.494 -7.569 -3.852 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.713 -7.938 -3.137 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.130 -7.963 -5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.074 -9.041 -6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.239 -7.399 -6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.688 -8.812 -5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.852 -10.416 -5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.172 -10.238 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.865 -9.790 -4.369 1.00 0.00 H new ATOM 134 N LEU A 9 0.147 -5.731 -3.676 1.00 0.00 N ATOM 135 CA LEU A 9 0.741 -4.446 -3.909 1.00 0.00 C ATOM 136 C LEU A 9 1.920 -4.622 -4.842 1.00 0.00 C ATOM 137 O LEU A 9 2.784 -5.481 -4.597 1.00 0.00 O ATOM 138 CB LEU A 9 1.223 -3.835 -2.585 1.00 0.00 C ATOM 139 CG LEU A 9 0.154 -3.592 -1.508 1.00 0.00 C ATOM 140 CD1 LEU A 9 0.799 -3.080 -0.231 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.893 -2.601 -1.999 1.00 0.00 C ATOM 0 H LEU A 9 0.703 -6.332 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 9 0.003 -3.778 -4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.986 -4.491 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.707 -2.883 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.341 -4.541 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.030 -2.912 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.513 -3.817 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.317 -2.143 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.639 -2.444 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.412 -1.652 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.378 -2.996 -2.892 1.00 0.00 H new ATOM 153 N ASP A 10 1.933 -3.867 -5.911 1.00 0.00 N ATOM 154 CA ASP A 10 3.033 -3.899 -6.868 1.00 0.00 C ATOM 155 C ASP A 10 4.190 -3.070 -6.304 1.00 0.00 C ATOM 156 O ASP A 10 4.073 -1.845 -6.131 1.00 0.00 O ATOM 157 CB ASP A 10 2.582 -3.338 -8.227 1.00 0.00 C ATOM 158 CG ASP A 10 3.641 -3.478 -9.309 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.734 -2.976 -9.133 1.00 0.00 O ATOM 160 OD2 ASP A 10 3.354 -4.066 -10.385 1.00 0.00 O ATOM 0 H ASP A 10 1.189 -3.212 -6.151 1.00 0.00 H new ATOM 0 HA ASP A 10 3.357 -4.928 -7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.676 -3.854 -8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.325 -2.285 -8.112 1.00 0.00 H new ATOM 165 N LEU A 11 5.289 -3.725 -6.023 1.00 0.00 N ATOM 166 CA LEU A 11 6.416 -3.089 -5.372 1.00 0.00 C ATOM 167 C LEU A 11 7.277 -2.284 -6.338 1.00 0.00 C ATOM 168 O LEU A 11 7.939 -1.316 -5.930 1.00 0.00 O ATOM 169 CB LEU A 11 7.262 -4.109 -4.607 1.00 0.00 C ATOM 170 CG LEU A 11 6.548 -4.869 -3.478 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.492 -5.864 -2.830 1.00 0.00 C ATOM 172 CD2 LEU A 11 5.998 -3.904 -2.434 1.00 0.00 C ATOM 0 H LEU A 11 5.431 -4.712 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 11 5.999 -2.381 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.649 -4.837 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.122 -3.591 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 11 5.710 -5.413 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.971 -6.394 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.835 -6.580 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.349 -5.335 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.498 -4.467 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.817 -3.328 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.285 -3.226 -2.904 1.00 0.00 H new ATOM 184 N GLU A 12 7.263 -2.636 -7.605 1.00 0.00 N ATOM 185 CA GLU A 12 8.052 -1.891 -8.565 1.00 0.00 C ATOM 186 C GLU A 12 7.340 -0.607 -8.941 1.00 0.00 C ATOM 187 O GLU A 12 7.980 0.439 -9.137 1.00 0.00 O ATOM 188 CB GLU A 12 8.463 -2.723 -9.795 1.00 0.00 C ATOM 189 CG GLU A 12 7.352 -3.520 -10.419 1.00 0.00 C ATOM 190 CD GLU A 12 7.738 -4.177 -11.702 1.00 0.00 C ATOM 191 OE1 GLU A 12 8.829 -4.794 -11.779 1.00 0.00 O ATOM 192 OE2 GLU A 12 6.934 -4.142 -12.650 1.00 0.00 O ATOM 0 H GLU A 12 6.728 -3.415 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 12 8.994 -1.630 -8.082 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.876 -2.052 -10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.261 -3.406 -9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.023 -4.283 -9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.501 -2.863 -10.598 1.00 0.00 H new ATOM 199 N ARG A 13 6.016 -0.673 -8.992 1.00 0.00 N ATOM 200 CA ARG A 13 5.187 0.489 -9.256 1.00 0.00 C ATOM 201 C ARG A 13 5.342 1.440 -8.096 1.00 0.00 C ATOM 202 O ARG A 13 5.425 2.648 -8.276 1.00 0.00 O ATOM 203 CB ARG A 13 3.717 0.095 -9.364 1.00 0.00 C ATOM 204 CG ARG A 13 2.904 0.937 -10.342 1.00 0.00 C ATOM 205 CD ARG A 13 3.407 0.695 -11.756 1.00 0.00 C ATOM 206 NE ARG A 13 3.504 -0.746 -12.001 1.00 0.00 N ATOM 207 CZ ARG A 13 4.517 -1.359 -12.609 1.00 0.00 C ATOM 208 NH1 ARG A 13 5.361 -0.678 -13.373 1.00 0.00 N ATOM 209 NH2 ARG A 13 4.659 -2.664 -12.468 1.00 0.00 N ATOM 0 H ARG A 13 5.489 -1.535 -8.851 1.00 0.00 H new ATOM 0 HA ARG A 13 5.496 0.946 -10.196 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.656 -0.950 -9.667 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.261 0.168 -8.376 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.848 0.678 -10.271 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.991 1.994 -10.089 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.730 1.152 -12.477 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.382 1.164 -11.892 1.00 0.00 H new ATOM 0 HE ARG A 13 2.731 -1.328 -11.679 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.237 0.327 -13.500 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.134 -1.159 -13.834 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.997 -3.190 -11.898 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.431 -3.146 -12.929 1.00 0.00 H new ATOM 223 N LEU A 14 5.421 0.864 -6.908 1.00 0.00 N ATOM 224 CA LEU A 14 5.609 1.601 -5.672 1.00 0.00 C ATOM 225 C LEU A 14 6.888 2.439 -5.729 1.00 0.00 C ATOM 226 O LEU A 14 6.913 3.583 -5.295 1.00 0.00 O ATOM 227 CB LEU A 14 5.676 0.626 -4.493 1.00 0.00 C ATOM 228 CG LEU A 14 5.858 1.247 -3.114 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.682 2.133 -2.778 1.00 0.00 C ATOM 230 CD2 LEU A 14 6.044 0.172 -2.058 1.00 0.00 C ATOM 0 H LEU A 14 5.355 -0.145 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 14 4.763 2.275 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.760 0.036 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.499 -0.066 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 14 6.758 1.861 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.826 2.570 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.603 2.929 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.767 1.541 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.172 0.639 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.167 -0.475 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.927 -0.422 -2.295 1.00 0.00 H new ATOM 242 N ALA A 15 7.935 1.872 -6.295 1.00 0.00 N ATOM 243 CA ALA A 15 9.214 2.564 -6.416 1.00 0.00 C ATOM 244 C ALA A 15 9.138 3.714 -7.421 1.00 0.00 C ATOM 245 O ALA A 15 9.935 4.641 -7.378 1.00 0.00 O ATOM 246 CB ALA A 15 10.304 1.592 -6.811 1.00 0.00 C ATOM 0 H ALA A 15 7.930 0.928 -6.682 1.00 0.00 H new ATOM 0 HA ALA A 15 9.454 2.989 -5.442 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.252 2.123 -6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.391 0.815 -6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.055 1.136 -7.769 1.00 0.00 H new ATOM 252 N THR A 16 8.178 3.661 -8.311 1.00 0.00 N ATOM 253 CA THR A 16 8.019 4.701 -9.302 1.00 0.00 C ATOM 254 C THR A 16 7.008 5.772 -8.846 1.00 0.00 C ATOM 255 O THR A 16 6.602 6.641 -9.619 1.00 0.00 O ATOM 256 CB THR A 16 7.641 4.116 -10.691 1.00 0.00 C ATOM 257 OG1 THR A 16 6.501 3.248 -10.589 1.00 0.00 O ATOM 258 CG2 THR A 16 8.805 3.340 -11.291 1.00 0.00 C ATOM 0 H THR A 16 7.493 2.908 -8.371 1.00 0.00 H new ATOM 0 HA THR A 16 8.986 5.193 -9.409 1.00 0.00 H new ATOM 0 HB THR A 16 7.397 4.956 -11.341 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.067 3.379 -9.720 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.514 2.941 -12.263 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.661 4.004 -11.413 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.075 2.518 -10.628 1.00 0.00 H new ATOM 266 N VAL A 17 6.621 5.706 -7.589 1.00 0.00 N ATOM 267 CA VAL A 17 5.720 6.679 -7.000 1.00 0.00 C ATOM 268 C VAL A 17 6.553 7.672 -6.169 1.00 0.00 C ATOM 269 O VAL A 17 7.497 7.252 -5.499 1.00 0.00 O ATOM 270 CB VAL A 17 4.646 5.981 -6.096 1.00 0.00 C ATOM 271 CG1 VAL A 17 3.737 6.991 -5.406 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.807 5.019 -6.915 1.00 0.00 C ATOM 0 H VAL A 17 6.922 4.975 -6.944 1.00 0.00 H new ATOM 0 HA VAL A 17 5.188 7.204 -7.793 1.00 0.00 H new ATOM 0 HB VAL A 17 5.186 5.431 -5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.008 6.464 -4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.336 7.649 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.216 7.584 -6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.067 4.543 -6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.299 5.565 -7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.451 4.256 -7.353 1.00 0.00 H new ATOM 282 N PRO A 18 6.262 9.009 -6.283 1.00 0.00 N ATOM 283 CA PRO A 18 6.941 10.090 -5.528 1.00 0.00 C ATOM 284 C PRO A 18 7.273 9.734 -4.075 1.00 0.00 C ATOM 285 O PRO A 18 6.418 9.219 -3.330 1.00 0.00 O ATOM 286 CB PRO A 18 5.908 11.208 -5.567 1.00 0.00 C ATOM 287 CG PRO A 18 5.278 11.063 -6.904 1.00 0.00 C ATOM 288 CD PRO A 18 5.239 9.580 -7.194 1.00 0.00 C ATOM 0 HA PRO A 18 7.911 10.329 -5.964 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.176 11.104 -4.766 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.373 12.187 -5.448 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.274 11.487 -6.909 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.852 11.593 -7.664 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.252 9.161 -6.999 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.473 9.371 -8.238 1.00 0.00 H new ATOM 296 N ALA A 19 8.495 10.066 -3.673 1.00 0.00 N ATOM 297 CA ALA A 19 9.042 9.760 -2.344 1.00 0.00 C ATOM 298 C ALA A 19 8.233 10.388 -1.213 1.00 0.00 C ATOM 299 O ALA A 19 8.288 9.932 -0.076 1.00 0.00 O ATOM 300 CB ALA A 19 10.501 10.198 -2.259 1.00 0.00 C ATOM 0 H ALA A 19 9.152 10.567 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 19 8.978 8.679 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.894 9.965 -1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.084 9.670 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.569 11.272 -2.433 1.00 0.00 H new ATOM 306 N GLU A 20 7.503 11.436 -1.514 1.00 0.00 N ATOM 307 CA GLU A 20 6.649 12.082 -0.521 1.00 0.00 C ATOM 308 C GLU A 20 5.496 11.158 -0.133 1.00 0.00 C ATOM 309 O GLU A 20 5.060 11.120 1.013 1.00 0.00 O ATOM 310 CB GLU A 20 6.097 13.379 -1.092 1.00 0.00 C ATOM 311 CG GLU A 20 7.165 14.369 -1.503 1.00 0.00 C ATOM 312 CD GLU A 20 7.964 14.913 -0.345 1.00 0.00 C ATOM 313 OE1 GLU A 20 8.934 14.248 0.110 1.00 0.00 O ATOM 314 OE2 GLU A 20 7.670 16.042 0.099 1.00 0.00 O ATOM 0 H GLU A 20 7.477 11.867 -2.438 1.00 0.00 H new ATOM 0 HA GLU A 20 7.241 12.298 0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.476 13.149 -1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.449 13.845 -0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.844 13.887 -2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.695 15.199 -2.031 1.00 0.00 H new ATOM 321 N LYS A 21 5.048 10.383 -1.093 1.00 0.00 N ATOM 322 CA LYS A 21 3.910 9.512 -0.917 1.00 0.00 C ATOM 323 C LYS A 21 4.341 8.090 -0.601 1.00 0.00 C ATOM 324 O LYS A 21 3.942 7.515 0.405 1.00 0.00 O ATOM 325 CB LYS A 21 3.063 9.515 -2.192 1.00 0.00 C ATOM 326 CG LYS A 21 2.399 10.842 -2.500 1.00 0.00 C ATOM 327 CD LYS A 21 1.693 10.808 -3.847 1.00 0.00 C ATOM 328 CE LYS A 21 0.824 12.038 -4.056 1.00 0.00 C ATOM 329 NZ LYS A 21 -0.285 12.097 -3.084 1.00 0.00 N ATOM 0 H LYS A 21 5.465 10.339 -2.023 1.00 0.00 H new ATOM 0 HA LYS A 21 3.326 9.885 -0.076 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.696 9.235 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.293 8.749 -2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.680 11.082 -1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.148 11.634 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.433 10.745 -4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.077 9.911 -3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.436 12.935 -3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.420 12.030 -5.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.922 12.881 -3.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.814 11.202 -3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.098 12.250 -2.129 1.00 0.00 H new ATOM 343 N ALA A 22 5.183 7.546 -1.446 1.00 0.00 N ATOM 344 CA ALA A 22 5.565 6.155 -1.343 1.00 0.00 C ATOM 345 C ALA A 22 6.810 5.947 -0.509 1.00 0.00 C ATOM 346 O ALA A 22 7.137 4.821 -0.189 1.00 0.00 O ATOM 347 CB ALA A 22 5.747 5.568 -2.717 1.00 0.00 C ATOM 0 H ALA A 22 5.620 8.048 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 22 4.756 5.638 -0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.035 4.520 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.811 5.643 -3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.527 6.116 -3.246 1.00 0.00 H new ATOM 353 N GLY A 23 7.475 7.030 -0.144 1.00 0.00 N ATOM 354 CA GLY A 23 8.707 6.955 0.655 1.00 0.00 C ATOM 355 C GLY A 23 8.532 6.160 1.947 1.00 0.00 C ATOM 356 O GLY A 23 9.222 5.155 2.151 1.00 0.00 O ATOM 0 H GLY A 23 7.189 7.979 -0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.494 6.497 0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.038 7.965 0.898 1.00 0.00 H new ATOM 360 N PRO A 24 7.605 6.571 2.845 1.00 0.00 N ATOM 361 CA PRO A 24 7.318 5.818 4.072 1.00 0.00 C ATOM 362 C PRO A 24 6.877 4.381 3.767 1.00 0.00 C ATOM 363 O PRO A 24 7.227 3.436 4.489 1.00 0.00 O ATOM 364 CB PRO A 24 6.161 6.597 4.699 1.00 0.00 C ATOM 365 CG PRO A 24 6.324 7.981 4.187 1.00 0.00 C ATOM 366 CD PRO A 24 6.816 7.827 2.781 1.00 0.00 C ATOM 0 HA PRO A 24 8.193 5.730 4.716 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.197 6.178 4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.207 6.569 5.788 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.380 8.525 4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.034 8.543 4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.993 7.752 2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.428 8.674 2.472 1.00 0.00 H new ATOM 374 N LEU A 25 6.169 4.222 2.660 1.00 0.00 N ATOM 375 CA LEU A 25 5.636 2.940 2.267 1.00 0.00 C ATOM 376 C LEU A 25 6.741 1.989 1.783 1.00 0.00 C ATOM 377 O LEU A 25 6.617 0.778 1.945 1.00 0.00 O ATOM 378 CB LEU A 25 4.490 3.112 1.242 1.00 0.00 C ATOM 379 CG LEU A 25 3.767 1.837 0.765 1.00 0.00 C ATOM 380 CD1 LEU A 25 3.338 0.981 1.943 1.00 0.00 C ATOM 381 CD2 LEU A 25 2.544 2.212 -0.055 1.00 0.00 C ATOM 0 H LEU A 25 5.951 4.981 2.014 1.00 0.00 H new ATOM 0 HA LEU A 25 5.202 2.465 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.745 3.778 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.895 3.617 0.365 1.00 0.00 H new ATOM 0 HG LEU A 25 4.462 1.264 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.830 0.088 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.216 0.689 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.659 1.550 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.038 1.306 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.863 2.804 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.852 2.796 -0.922 1.00 0.00 H new ATOM 393 N GLN A 26 7.832 2.542 1.229 1.00 0.00 N ATOM 394 CA GLN A 26 8.990 1.724 0.829 1.00 0.00 C ATOM 395 C GLN A 26 9.500 0.989 2.050 1.00 0.00 C ATOM 396 O GLN A 26 9.705 -0.225 2.033 1.00 0.00 O ATOM 397 CB GLN A 26 10.157 2.582 0.300 1.00 0.00 C ATOM 398 CG GLN A 26 9.856 3.487 -0.881 1.00 0.00 C ATOM 399 CD GLN A 26 9.291 2.764 -2.079 1.00 0.00 C ATOM 400 OE1 GLN A 26 9.552 1.575 -2.304 1.00 0.00 O ATOM 401 NE2 GLN A 26 8.576 3.482 -2.888 1.00 0.00 N ATOM 0 H GLN A 26 7.937 3.540 1.049 1.00 0.00 H new ATOM 0 HA GLN A 26 8.659 1.051 0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.523 3.201 1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.970 1.914 0.018 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.149 4.255 -0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.772 3.998 -1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.383 4.459 -2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.207 3.070 -3.745 1.00 0.00 H new ATOM 410 N ARG A 27 9.653 1.755 3.118 1.00 0.00 N ATOM 411 CA ARG A 27 10.152 1.265 4.391 1.00 0.00 C ATOM 412 C ARG A 27 9.209 0.217 4.942 1.00 0.00 C ATOM 413 O ARG A 27 9.624 -0.879 5.312 1.00 0.00 O ATOM 414 CB ARG A 27 10.221 2.400 5.397 1.00 0.00 C ATOM 415 CG ARG A 27 10.965 3.631 4.930 1.00 0.00 C ATOM 416 CD ARG A 27 10.992 4.698 6.014 1.00 0.00 C ATOM 417 NE ARG A 27 9.641 5.029 6.522 1.00 0.00 N ATOM 418 CZ ARG A 27 9.264 6.228 6.993 1.00 0.00 C ATOM 419 NH1 ARG A 27 10.076 7.280 6.895 1.00 0.00 N ATOM 420 NH2 ARG A 27 8.062 6.371 7.530 1.00 0.00 N ATOM 0 H ARG A 27 9.430 2.750 3.124 1.00 0.00 H new ATOM 0 HA ARG A 27 11.144 0.842 4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.205 2.689 5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.697 2.030 6.305 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.985 3.361 4.655 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.489 4.030 4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.613 4.354 6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.459 5.600 5.619 1.00 0.00 H new ATOM 0 HE ARG A 27 8.941 4.287 6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.993 7.178 6.459 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.781 8.187 7.256 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.429 5.573 7.584 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.769 7.279 7.890 1.00 0.00 H new ATOM 434 N TYR A 28 7.939 0.579 4.986 1.00 0.00 N ATOM 435 CA TYR A 28 6.870 -0.268 5.493 1.00 0.00 C ATOM 436 C TYR A 28 6.861 -1.620 4.775 1.00 0.00 C ATOM 437 O TYR A 28 6.969 -2.672 5.418 1.00 0.00 O ATOM 438 CB TYR A 28 5.527 0.460 5.313 1.00 0.00 C ATOM 439 CG TYR A 28 4.308 -0.258 5.859 1.00 0.00 C ATOM 440 CD1 TYR A 28 4.021 -0.238 7.213 1.00 0.00 C ATOM 441 CD2 TYR A 28 3.434 -0.933 5.017 1.00 0.00 C ATOM 442 CE1 TYR A 28 2.903 -0.870 7.716 1.00 0.00 C ATOM 443 CE2 TYR A 28 2.309 -1.564 5.513 1.00 0.00 C ATOM 444 CZ TYR A 28 2.048 -1.529 6.862 1.00 0.00 C ATOM 445 OH TYR A 28 0.925 -2.147 7.366 1.00 0.00 O ATOM 0 H TYR A 28 7.613 1.490 4.663 1.00 0.00 H new ATOM 0 HA TYR A 28 7.034 -0.463 6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.597 1.435 5.795 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.373 0.640 4.249 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.685 0.282 7.888 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.637 -0.965 3.957 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.699 -0.848 8.776 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.638 -2.082 4.844 1.00 0.00 H new ATOM 0 HH TYR A 28 0.763 -2.980 6.877 1.00 0.00 H new ATOM 455 N ALA A 29 6.811 -1.581 3.450 1.00 0.00 N ATOM 456 CA ALA A 29 6.769 -2.785 2.632 1.00 0.00 C ATOM 457 C ALA A 29 8.017 -3.636 2.829 1.00 0.00 C ATOM 458 O ALA A 29 7.923 -4.862 2.979 1.00 0.00 O ATOM 459 CB ALA A 29 6.590 -2.431 1.164 1.00 0.00 C ATOM 0 H ALA A 29 6.798 -0.714 2.913 1.00 0.00 H new ATOM 0 HA ALA A 29 5.910 -3.374 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.561 -3.345 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.657 -1.883 1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.424 -1.811 0.835 1.00 0.00 H new ATOM 465 N ALA A 30 9.177 -2.987 2.878 1.00 0.00 N ATOM 466 CA ALA A 30 10.438 -3.694 3.050 1.00 0.00 C ATOM 467 C ALA A 30 10.512 -4.358 4.424 1.00 0.00 C ATOM 468 O ALA A 30 11.077 -5.448 4.575 1.00 0.00 O ATOM 469 CB ALA A 30 11.610 -2.751 2.840 1.00 0.00 C ATOM 0 H ALA A 30 9.268 -1.974 2.801 1.00 0.00 H new ATOM 0 HA ALA A 30 10.492 -4.481 2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.544 -3.297 2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.570 -2.340 1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.558 -1.939 3.565 1.00 0.00 H new ATOM 475 N THR A 31 9.923 -3.711 5.413 1.00 0.00 N ATOM 476 CA THR A 31 9.879 -4.241 6.753 1.00 0.00 C ATOM 477 C THR A 31 9.006 -5.502 6.784 1.00 0.00 C ATOM 478 O THR A 31 9.411 -6.518 7.344 1.00 0.00 O ATOM 479 CB THR A 31 9.357 -3.180 7.750 1.00 0.00 C ATOM 480 OG1 THR A 31 10.181 -2.007 7.644 1.00 0.00 O ATOM 481 CG2 THR A 31 9.418 -3.689 9.182 1.00 0.00 C ATOM 0 H THR A 31 9.464 -2.806 5.305 1.00 0.00 H new ATOM 0 HA THR A 31 10.891 -4.508 7.059 1.00 0.00 H new ATOM 0 HB THR A 31 8.318 -2.957 7.506 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.005 -1.560 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.044 -2.920 9.858 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.804 -4.585 9.276 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.450 -3.928 9.440 1.00 0.00 H new ATOM 489 N ILE A 32 7.848 -5.440 6.113 1.00 0.00 N ATOM 490 CA ILE A 32 6.926 -6.577 6.028 1.00 0.00 C ATOM 491 C ILE A 32 7.650 -7.783 5.448 1.00 0.00 C ATOM 492 O ILE A 32 7.584 -8.885 6.002 1.00 0.00 O ATOM 493 CB ILE A 32 5.696 -6.255 5.133 1.00 0.00 C ATOM 494 CG1 ILE A 32 4.914 -5.063 5.696 1.00 0.00 C ATOM 495 CG2 ILE A 32 4.784 -7.481 4.996 1.00 0.00 C ATOM 496 CD1 ILE A 32 3.744 -4.643 4.836 1.00 0.00 C ATOM 0 H ILE A 32 7.527 -4.608 5.618 1.00 0.00 H new ATOM 0 HA ILE A 32 6.574 -6.790 7.037 1.00 0.00 H new ATOM 0 HB ILE A 32 6.061 -5.989 4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.549 -5.317 6.691 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.591 -4.217 5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.931 -7.231 4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.342 -8.301 4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.431 -7.784 5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.239 -3.795 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.103 -4.357 3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.045 -5.474 4.742 1.00 0.00 H new ATOM 508 N GLN A 33 8.364 -7.555 4.353 1.00 0.00 N ATOM 509 CA GLN A 33 9.126 -8.604 3.708 1.00 0.00 C ATOM 510 C GLN A 33 10.156 -9.178 4.669 1.00 0.00 C ATOM 511 O GLN A 33 10.122 -10.368 4.973 1.00 0.00 O ATOM 512 CB GLN A 33 9.826 -8.089 2.456 1.00 0.00 C ATOM 513 CG GLN A 33 8.898 -7.595 1.363 1.00 0.00 C ATOM 514 CD GLN A 33 9.671 -7.114 0.161 1.00 0.00 C ATOM 515 OE1 GLN A 33 10.026 -5.947 0.061 1.00 0.00 O ATOM 516 NE2 GLN A 33 9.937 -8.006 -0.759 1.00 0.00 N ATOM 0 H GLN A 33 8.428 -6.646 3.895 1.00 0.00 H new ATOM 0 HA GLN A 33 8.428 -9.388 3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.495 -7.276 2.740 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.448 -8.887 2.051 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.223 -8.398 1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.279 -6.784 1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.624 -8.970 -0.640 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.457 -7.738 -1.595 1.00 0.00 H new ATOM 525 N SER A 34 11.015 -8.308 5.183 1.00 0.00 N ATOM 526 CA SER A 34 12.113 -8.672 6.077 1.00 0.00 C ATOM 527 C SER A 34 11.614 -9.484 7.302 1.00 0.00 C ATOM 528 O SER A 34 12.213 -10.500 7.673 1.00 0.00 O ATOM 529 CB SER A 34 12.844 -7.385 6.525 1.00 0.00 C ATOM 530 OG SER A 34 14.036 -7.661 7.241 1.00 0.00 O ATOM 0 H SER A 34 10.969 -7.308 4.988 1.00 0.00 H new ATOM 0 HA SER A 34 12.806 -9.317 5.537 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.081 -6.782 5.649 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.177 -6.791 7.150 1.00 0.00 H new ATOM 0 HG SER A 34 14.464 -6.819 7.502 1.00 0.00 H new ATOM 536 N GLN A 35 10.504 -9.063 7.887 1.00 0.00 N ATOM 537 CA GLN A 35 9.939 -9.735 9.057 1.00 0.00 C ATOM 538 C GLN A 35 9.423 -11.126 8.721 1.00 0.00 C ATOM 539 O GLN A 35 9.539 -12.050 9.518 1.00 0.00 O ATOM 540 CB GLN A 35 8.827 -8.894 9.672 1.00 0.00 C ATOM 541 CG GLN A 35 9.319 -7.589 10.249 1.00 0.00 C ATOM 542 CD GLN A 35 8.212 -6.716 10.788 1.00 0.00 C ATOM 543 OE1 GLN A 35 7.081 -6.726 10.296 1.00 0.00 O ATOM 544 NE2 GLN A 35 8.518 -5.962 11.794 1.00 0.00 N ATOM 0 H GLN A 35 9.970 -8.253 7.571 1.00 0.00 H new ATOM 0 HA GLN A 35 10.743 -9.849 9.784 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.074 -8.687 8.912 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.337 -9.469 10.457 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.028 -7.799 11.050 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.861 -7.041 9.478 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.464 -5.980 12.175 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.813 -5.350 12.206 1.00 0.00 H new ATOM 553 N ARG A 36 8.908 -11.284 7.528 1.00 0.00 N ATOM 554 CA ARG A 36 8.322 -12.547 7.120 1.00 0.00 C ATOM 555 C ARG A 36 9.331 -13.471 6.443 1.00 0.00 C ATOM 556 O ARG A 36 8.962 -14.518 5.917 1.00 0.00 O ATOM 557 CB ARG A 36 7.124 -12.317 6.218 1.00 0.00 C ATOM 558 CG ARG A 36 6.014 -11.526 6.871 1.00 0.00 C ATOM 559 CD ARG A 36 4.823 -11.378 5.951 1.00 0.00 C ATOM 560 NE ARG A 36 3.770 -10.563 6.562 1.00 0.00 N ATOM 561 CZ ARG A 36 2.452 -10.768 6.426 1.00 0.00 C ATOM 562 NH1 ARG A 36 1.996 -11.809 5.713 1.00 0.00 N ATOM 563 NH2 ARG A 36 1.589 -9.938 7.005 1.00 0.00 N ATOM 0 H ARG A 36 8.880 -10.554 6.816 1.00 0.00 H new ATOM 0 HA ARG A 36 7.991 -13.048 8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.452 -11.793 5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.731 -13.282 5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.705 -12.022 7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.384 -10.540 7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.141 -10.921 5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.426 -12.363 5.707 1.00 0.00 H new ATOM 0 HE ARG A 36 4.064 -9.774 7.138 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.653 -12.451 5.270 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.992 -11.959 5.614 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.930 -9.147 7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.586 -10.092 6.903 1.00 0.00 H new ATOM 577 N GLY A 37 10.593 -13.084 6.445 1.00 0.00 N ATOM 578 CA GLY A 37 11.622 -13.952 5.895 1.00 0.00 C ATOM 579 C GLY A 37 12.048 -13.572 4.497 1.00 0.00 C ATOM 580 O GLY A 37 12.799 -14.311 3.855 1.00 0.00 O ATOM 0 H GLY A 37 10.928 -12.193 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.493 -13.930 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.255 -14.978 5.888 1.00 0.00 H new ATOM 584 N ASP A 38 11.577 -12.416 4.048 1.00 0.00 N ATOM 585 CA ASP A 38 11.882 -11.818 2.730 1.00 0.00 C ATOM 586 C ASP A 38 11.082 -12.457 1.603 1.00 0.00 C ATOM 587 O ASP A 38 10.880 -13.671 1.571 1.00 0.00 O ATOM 588 CB ASP A 38 13.389 -11.792 2.426 1.00 0.00 C ATOM 589 CG ASP A 38 13.729 -11.073 1.149 1.00 0.00 C ATOM 590 OD1 ASP A 38 13.543 -9.840 1.093 1.00 0.00 O ATOM 591 OD2 ASP A 38 14.210 -11.717 0.194 1.00 0.00 O ATOM 0 H ASP A 38 10.947 -11.838 4.604 1.00 0.00 H new ATOM 0 HA ASP A 38 11.562 -10.778 2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.911 -11.312 3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.758 -12.816 2.367 1.00 0.00 H new ATOM 596 N TYR A 39 10.617 -11.631 0.692 1.00 0.00 N ATOM 597 CA TYR A 39 9.783 -12.065 -0.419 1.00 0.00 C ATOM 598 C TYR A 39 10.247 -11.444 -1.715 1.00 0.00 C ATOM 599 O TYR A 39 11.229 -10.690 -1.739 1.00 0.00 O ATOM 600 CB TYR A 39 8.301 -11.719 -0.191 1.00 0.00 C ATOM 601 CG TYR A 39 7.567 -12.630 0.762 1.00 0.00 C ATOM 602 CD1 TYR A 39 7.152 -13.889 0.350 1.00 0.00 C ATOM 603 CD2 TYR A 39 7.264 -12.233 2.053 1.00 0.00 C ATOM 604 CE1 TYR A 39 6.459 -14.726 1.198 1.00 0.00 C ATOM 605 CE2 TYR A 39 6.573 -13.067 2.906 1.00 0.00 C ATOM 606 CZ TYR A 39 6.172 -14.309 2.475 1.00 0.00 C ATOM 607 OH TYR A 39 5.478 -15.141 3.331 1.00 0.00 O ATOM 0 H TYR A 39 10.806 -10.629 0.697 1.00 0.00 H new ATOM 0 HA TYR A 39 9.879 -13.149 -0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 39 8.237 -10.698 0.186 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.788 -11.737 -1.153 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.376 -14.219 -0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.573 -11.257 2.397 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.144 -15.702 0.861 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.347 -12.745 3.912 1.00 0.00 H new ATOM 0 HH TYR A 39 5.359 -14.695 4.196 1.00 0.00 H new ATOM 617 N ASN A 40 9.516 -11.729 -2.770 1.00 0.00 N ATOM 618 CA ASN A 40 9.797 -11.243 -4.082 1.00 0.00 C ATOM 619 C ASN A 40 9.491 -9.784 -4.123 1.00 0.00 C ATOM 620 O ASN A 40 8.352 -9.375 -3.945 1.00 0.00 O ATOM 621 CB ASN A 40 8.955 -11.986 -5.139 1.00 0.00 C ATOM 622 CG ASN A 40 9.266 -13.470 -5.232 1.00 0.00 C ATOM 623 OD1 ASN A 40 10.402 -13.900 -5.023 1.00 0.00 O ATOM 624 ND2 ASN A 40 8.276 -14.261 -5.532 1.00 0.00 N ATOM 0 H ASN A 40 8.688 -12.323 -2.726 1.00 0.00 H new ATOM 0 HA ASN A 40 10.849 -11.416 -4.311 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.898 -11.859 -4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.123 -11.527 -6.113 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.430 -15.267 -5.600 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.347 -13.874 -5.699 1.00 0.00 H new ATOM 631 N GLY A 41 10.503 -9.010 -4.359 1.00 0.00 N ATOM 632 CA GLY A 41 10.400 -7.543 -4.391 1.00 0.00 C ATOM 633 C GLY A 41 9.647 -6.987 -5.596 1.00 0.00 C ATOM 634 O GLY A 41 9.829 -5.830 -5.963 1.00 0.00 O ATOM 0 H GLY A 41 11.444 -9.360 -4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.903 -7.207 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.405 -7.121 -4.380 1.00 0.00 H new ATOM 638 N LYS A 42 8.831 -7.809 -6.193 1.00 0.00 N ATOM 639 CA LYS A 42 8.021 -7.446 -7.317 1.00 0.00 C ATOM 640 C LYS A 42 6.596 -7.166 -6.855 1.00 0.00 C ATOM 641 O LYS A 42 6.032 -6.123 -7.162 1.00 0.00 O ATOM 642 CB LYS A 42 8.078 -8.555 -8.370 1.00 0.00 C ATOM 643 CG LYS A 42 9.465 -8.691 -8.999 1.00 0.00 C ATOM 644 CD LYS A 42 9.604 -9.914 -9.894 1.00 0.00 C ATOM 645 CE LYS A 42 9.600 -11.199 -9.085 1.00 0.00 C ATOM 646 NZ LYS A 42 9.876 -12.386 -9.917 1.00 0.00 N ATOM 0 H LYS A 42 8.709 -8.779 -5.901 1.00 0.00 H new ATOM 0 HA LYS A 42 8.402 -6.534 -7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.796 -9.503 -7.911 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.346 -8.348 -9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.681 -7.796 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.212 -8.743 -8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.786 -9.934 -10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.530 -9.845 -10.465 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.348 -11.130 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.632 -11.316 -8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.863 -13.238 -9.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.149 -12.469 -10.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.811 -12.289 -10.361 1.00 0.00 H new ATOM 660 N VAL A 43 6.035 -8.087 -6.075 1.00 0.00 N ATOM 661 CA VAL A 43 4.679 -7.951 -5.556 1.00 0.00 C ATOM 662 C VAL A 43 4.611 -8.448 -4.108 1.00 0.00 C ATOM 663 O VAL A 43 5.286 -9.413 -3.737 1.00 0.00 O ATOM 664 CB VAL A 43 3.606 -8.709 -6.420 1.00 0.00 C ATOM 665 CG1 VAL A 43 3.465 -8.103 -7.814 1.00 0.00 C ATOM 666 CG2 VAL A 43 3.922 -10.198 -6.525 1.00 0.00 C ATOM 0 H VAL A 43 6.506 -8.944 -5.787 1.00 0.00 H new ATOM 0 HA VAL A 43 4.439 -6.889 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 43 2.653 -8.593 -5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.714 -8.657 -8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.159 -7.060 -7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.422 -8.159 -8.333 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.160 -10.690 -7.129 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.897 -10.331 -6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.935 -10.638 -5.528 1.00 0.00 H new ATOM 676 N LEU A 44 3.829 -7.778 -3.307 1.00 0.00 N ATOM 677 CA LEU A 44 3.633 -8.133 -1.909 1.00 0.00 C ATOM 678 C LEU A 44 2.146 -8.366 -1.682 1.00 0.00 C ATOM 679 O LEU A 44 1.326 -7.861 -2.439 1.00 0.00 O ATOM 680 CB LEU A 44 4.146 -6.999 -1.004 1.00 0.00 C ATOM 681 CG LEU A 44 4.098 -7.241 0.512 1.00 0.00 C ATOM 682 CD1 LEU A 44 4.982 -8.421 0.907 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.520 -5.989 1.260 1.00 0.00 C ATOM 0 H LEU A 44 3.298 -6.958 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 44 4.189 -9.038 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.179 -6.786 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.566 -6.102 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 44 3.071 -7.483 0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.929 -8.570 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.636 -9.321 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.013 -8.216 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.481 -6.176 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.537 -5.720 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.845 -5.171 1.009 1.00 0.00 H new ATOM 695 N SER A 45 1.790 -9.151 -0.696 1.00 0.00 N ATOM 696 CA SER A 45 0.395 -9.427 -0.418 1.00 0.00 C ATOM 697 C SER A 45 0.112 -9.335 1.083 1.00 0.00 C ATOM 698 O SER A 45 0.819 -9.948 1.887 1.00 0.00 O ATOM 699 CB SER A 45 0.045 -10.814 -0.940 1.00 0.00 C ATOM 700 OG SER A 45 0.387 -10.928 -2.318 1.00 0.00 O ATOM 0 H SER A 45 2.447 -9.614 -0.068 1.00 0.00 H new ATOM 0 HA SER A 45 -0.223 -8.683 -0.921 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.576 -11.571 -0.363 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.020 -11.001 -0.807 1.00 0.00 H new ATOM 0 HG SER A 45 0.158 -11.825 -2.639 1.00 0.00 H new ATOM 706 N ILE A 46 -0.893 -8.553 1.446 1.00 0.00 N ATOM 707 CA ILE A 46 -1.303 -8.383 2.843 1.00 0.00 C ATOM 708 C ILE A 46 -2.833 -8.388 2.981 1.00 0.00 C ATOM 709 O ILE A 46 -3.541 -8.487 1.984 1.00 0.00 O ATOM 710 CB ILE A 46 -0.667 -7.102 3.514 1.00 0.00 C ATOM 711 CG1 ILE A 46 -0.714 -5.842 2.601 1.00 0.00 C ATOM 712 CG2 ILE A 46 0.754 -7.375 3.976 1.00 0.00 C ATOM 713 CD1 ILE A 46 -2.089 -5.259 2.355 1.00 0.00 C ATOM 0 H ILE A 46 -1.452 -8.015 0.784 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.913 -9.243 3.388 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.285 -6.879 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.087 -5.070 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.270 -6.097 1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.167 -6.476 4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.750 -8.185 4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.366 -7.660 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.004 -4.386 1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.721 -6.007 1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.534 -4.964 3.305 1.00 0.00 H new ATOM 725 N ARG A 47 -3.334 -8.314 4.200 1.00 0.00 N ATOM 726 CA ARG A 47 -4.777 -8.278 4.425 1.00 0.00 C ATOM 727 C ARG A 47 -5.299 -6.862 4.552 1.00 0.00 C ATOM 728 O ARG A 47 -4.538 -5.905 4.709 1.00 0.00 O ATOM 729 CB ARG A 47 -5.221 -9.134 5.626 1.00 0.00 C ATOM 730 CG ARG A 47 -5.521 -10.603 5.302 1.00 0.00 C ATOM 731 CD ARG A 47 -4.315 -11.351 4.770 1.00 0.00 C ATOM 732 NE ARG A 47 -4.646 -12.736 4.406 1.00 0.00 N ATOM 733 CZ ARG A 47 -3.763 -13.742 4.343 1.00 0.00 C ATOM 734 NH1 ARG A 47 -2.469 -13.526 4.614 1.00 0.00 N ATOM 735 NH2 ARG A 47 -4.174 -14.964 4.014 1.00 0.00 N ATOM 0 H ARG A 47 -2.771 -8.278 5.050 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.222 -8.723 3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.441 -9.098 6.386 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.113 -8.685 6.063 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.883 -11.101 6.202 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.324 -10.650 4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.921 -10.830 3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.527 -11.352 5.523 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.619 -12.947 4.185 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.151 -12.591 4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.802 -14.296 4.564 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.159 -15.133 3.810 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.504 -15.732 3.965 1.00 0.00 H new ATOM 749 N GLN A 48 -6.606 -6.755 4.499 1.00 0.00 N ATOM 750 CA GLN A 48 -7.337 -5.491 4.513 1.00 0.00 C ATOM 751 C GLN A 48 -7.032 -4.629 5.750 1.00 0.00 C ATOM 752 O GLN A 48 -6.917 -3.399 5.653 1.00 0.00 O ATOM 753 CB GLN A 48 -8.831 -5.789 4.446 1.00 0.00 C ATOM 754 CG GLN A 48 -9.333 -6.713 5.551 1.00 0.00 C ATOM 755 CD GLN A 48 -10.803 -6.943 5.467 1.00 0.00 C ATOM 756 OE1 GLN A 48 -11.583 -6.206 6.046 1.00 0.00 O ATOM 757 NE2 GLN A 48 -11.189 -7.967 4.755 1.00 0.00 N ATOM 0 H GLN A 48 -7.219 -7.568 4.443 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.013 -4.913 3.647 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -9.380 -4.849 4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.058 -6.240 3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.813 -7.669 5.487 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.089 -6.282 6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.497 -8.554 4.289 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -12.182 -8.180 4.664 1.00 0.00 H new ATOM 766 N ASP A 49 -6.878 -5.278 6.890 1.00 0.00 N ATOM 767 CA ASP A 49 -6.660 -4.598 8.157 1.00 0.00 C ATOM 768 C ASP A 49 -5.236 -4.102 8.257 1.00 0.00 C ATOM 769 O ASP A 49 -4.956 -3.125 8.952 1.00 0.00 O ATOM 770 CB ASP A 49 -7.008 -5.524 9.342 1.00 0.00 C ATOM 771 CG ASP A 49 -6.158 -6.778 9.395 1.00 0.00 C ATOM 772 OD1 ASP A 49 -6.213 -7.592 8.439 1.00 0.00 O ATOM 773 OD2 ASP A 49 -5.445 -6.994 10.393 1.00 0.00 O ATOM 0 H ASP A 49 -6.900 -6.295 6.965 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.323 -3.734 8.201 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.886 -4.971 10.274 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.058 -5.808 9.275 1.00 0.00 H new ATOM 778 N ASP A 50 -4.346 -4.733 7.511 1.00 0.00 N ATOM 779 CA ASP A 50 -2.949 -4.332 7.509 1.00 0.00 C ATOM 780 C ASP A 50 -2.798 -3.084 6.667 1.00 0.00 C ATOM 781 O ASP A 50 -2.153 -2.130 7.075 1.00 0.00 O ATOM 782 CB ASP A 50 -2.047 -5.438 6.963 1.00 0.00 C ATOM 783 CG ASP A 50 -0.569 -5.159 7.193 1.00 0.00 C ATOM 784 OD1 ASP A 50 0.068 -4.465 6.399 1.00 0.00 O ATOM 785 OD2 ASP A 50 -0.014 -5.656 8.209 1.00 0.00 O ATOM 0 H ASP A 50 -4.564 -5.521 6.901 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.644 -4.135 8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.312 -6.384 7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.228 -5.554 5.895 1.00 0.00 H new ATOM 790 N LEU A 51 -3.472 -3.069 5.513 1.00 0.00 N ATOM 791 CA LEU A 51 -3.419 -1.921 4.602 1.00 0.00 C ATOM 792 C LEU A 51 -4.037 -0.673 5.254 1.00 0.00 C ATOM 793 O LEU A 51 -3.645 0.460 4.964 1.00 0.00 O ATOM 794 CB LEU A 51 -4.137 -2.222 3.277 1.00 0.00 C ATOM 795 CG LEU A 51 -4.026 -1.128 2.197 1.00 0.00 C ATOM 796 CD1 LEU A 51 -2.590 -0.978 1.711 1.00 0.00 C ATOM 797 CD2 LEU A 51 -4.951 -1.412 1.035 1.00 0.00 C ATOM 0 H LEU A 51 -4.059 -3.837 5.188 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.368 -1.727 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.737 -3.151 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.193 -2.394 3.487 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.331 -0.186 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.543 -0.199 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.949 -0.705 2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.249 -1.922 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.851 -0.624 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.689 -2.371 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.981 -1.447 1.390 1.00 0.00 H new ATOM 809 N ARG A 52 -4.982 -0.885 6.156 1.00 0.00 N ATOM 810 CA ARG A 52 -5.630 0.220 6.853 1.00 0.00 C ATOM 811 C ARG A 52 -4.637 0.940 7.789 1.00 0.00 C ATOM 812 O ARG A 52 -4.804 2.122 8.095 1.00 0.00 O ATOM 813 CB ARG A 52 -6.881 -0.260 7.613 1.00 0.00 C ATOM 814 CG ARG A 52 -7.623 0.854 8.355 1.00 0.00 C ATOM 815 CD ARG A 52 -8.884 0.354 9.042 1.00 0.00 C ATOM 816 NE ARG A 52 -8.615 -0.667 10.062 1.00 0.00 N ATOM 817 CZ ARG A 52 -9.556 -1.358 10.719 1.00 0.00 C ATOM 818 NH1 ARG A 52 -10.851 -1.090 10.518 1.00 0.00 N ATOM 819 NH2 ARG A 52 -9.203 -2.281 11.604 1.00 0.00 N ATOM 0 H ARG A 52 -5.319 -1.810 6.424 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.961 0.943 6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.565 -0.730 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.586 -1.027 8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.959 1.297 9.098 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.885 1.644 7.651 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.397 1.197 9.506 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.560 -0.058 8.293 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.640 -0.865 10.287 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.125 -0.358 9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.565 -1.618 11.020 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.216 -2.464 11.784 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.919 -2.808 12.105 1.00 0.00 H new ATOM 833 N THR A 53 -3.575 0.241 8.175 1.00 0.00 N ATOM 834 CA THR A 53 -2.551 0.792 9.049 1.00 0.00 C ATOM 835 C THR A 53 -1.872 2.009 8.389 1.00 0.00 C ATOM 836 O THR A 53 -1.505 2.970 9.066 1.00 0.00 O ATOM 837 CB THR A 53 -1.491 -0.282 9.379 1.00 0.00 C ATOM 838 OG1 THR A 53 -2.159 -1.471 9.828 1.00 0.00 O ATOM 839 CG2 THR A 53 -0.539 0.195 10.471 1.00 0.00 C ATOM 0 H THR A 53 -3.402 -0.723 7.890 1.00 0.00 H new ATOM 0 HA THR A 53 -3.030 1.115 9.973 1.00 0.00 H new ATOM 0 HB THR A 53 -0.909 -0.481 8.479 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.359 -2.044 9.059 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.195 -0.584 10.680 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.026 1.097 10.138 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.105 0.413 11.377 1.00 0.00 H new ATOM 847 N LEU A 54 -1.777 1.987 7.056 1.00 0.00 N ATOM 848 CA LEU A 54 -1.159 3.077 6.291 1.00 0.00 C ATOM 849 C LEU A 54 -1.910 4.379 6.495 1.00 0.00 C ATOM 850 O LEU A 54 -1.304 5.454 6.569 1.00 0.00 O ATOM 851 CB LEU A 54 -1.081 2.771 4.786 1.00 0.00 C ATOM 852 CG LEU A 54 -0.082 1.705 4.312 1.00 0.00 C ATOM 853 CD1 LEU A 54 -0.424 0.329 4.834 1.00 0.00 C ATOM 854 CD2 LEU A 54 -0.024 1.692 2.805 1.00 0.00 C ATOM 0 H LEU A 54 -2.123 1.220 6.480 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.142 3.175 6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.074 2.466 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.845 3.701 4.269 1.00 0.00 H new ATOM 0 HG LEU A 54 0.896 1.968 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.311 -0.390 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.414 0.341 5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.415 0.043 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.686 0.934 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.012 1.463 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.295 2.670 2.445 1.00 0.00 H new ATOM 866 N ALA A 55 -3.220 4.273 6.637 1.00 0.00 N ATOM 867 CA ALA A 55 -4.063 5.428 6.854 1.00 0.00 C ATOM 868 C ALA A 55 -3.726 6.061 8.198 1.00 0.00 C ATOM 869 O ALA A 55 -3.734 7.272 8.348 1.00 0.00 O ATOM 870 CB ALA A 55 -5.533 5.030 6.793 1.00 0.00 C ATOM 0 H ALA A 55 -3.724 3.387 6.605 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.881 6.160 6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.155 5.910 6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.755 4.607 5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.741 4.288 7.564 1.00 0.00 H new ATOM 876 N VAL A 56 -3.358 5.226 9.147 1.00 0.00 N ATOM 877 CA VAL A 56 -2.993 5.681 10.470 1.00 0.00 C ATOM 878 C VAL A 56 -1.593 6.311 10.420 1.00 0.00 C ATOM 879 O VAL A 56 -1.337 7.339 11.048 1.00 0.00 O ATOM 880 CB VAL A 56 -3.015 4.504 11.493 1.00 0.00 C ATOM 881 CG1 VAL A 56 -2.687 4.982 12.902 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.363 3.791 11.470 1.00 0.00 C ATOM 0 H VAL A 56 -3.304 4.215 9.022 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.720 6.424 10.799 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.243 3.795 11.194 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.711 4.136 13.588 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.693 5.429 12.912 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.422 5.724 13.215 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.355 2.974 12.191 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.152 4.497 11.730 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.547 3.392 10.472 1.00 0.00 H new ATOM 892 N ILE A 57 -0.707 5.706 9.625 1.00 0.00 N ATOM 893 CA ILE A 57 0.672 6.189 9.471 1.00 0.00 C ATOM 894 C ILE A 57 0.690 7.600 8.893 1.00 0.00 C ATOM 895 O ILE A 57 1.298 8.499 9.455 1.00 0.00 O ATOM 896 CB ILE A 57 1.531 5.276 8.535 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.474 3.823 8.998 1.00 0.00 C ATOM 898 CG2 ILE A 57 2.989 5.764 8.509 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.260 2.859 8.126 1.00 0.00 C ATOM 0 H ILE A 57 -0.920 4.875 9.073 1.00 0.00 H new ATOM 0 HA ILE A 57 1.105 6.174 10.471 1.00 0.00 H new ATOM 0 HB ILE A 57 1.119 5.334 7.528 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.853 3.764 10.018 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.432 3.503 9.026 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.576 5.120 7.854 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.023 6.788 8.137 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.402 5.730 9.517 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.167 1.849 8.525 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.868 2.885 7.109 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.310 3.150 8.117 1.00 0.00 H new ATOM 911 N TYR A 58 -0.023 7.798 7.802 1.00 0.00 N ATOM 912 CA TYR A 58 0.013 9.091 7.115 1.00 0.00 C ATOM 913 C TYR A 58 -1.030 10.024 7.695 1.00 0.00 C ATOM 914 O TYR A 58 -1.143 11.175 7.275 1.00 0.00 O ATOM 915 CB TYR A 58 -0.232 8.926 5.605 1.00 0.00 C ATOM 916 CG TYR A 58 0.494 7.757 4.966 1.00 0.00 C ATOM 917 CD1 TYR A 58 1.791 7.418 5.324 1.00 0.00 C ATOM 918 CD2 TYR A 58 -0.151 6.963 4.035 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.417 6.328 4.765 1.00 0.00 C ATOM 920 CE2 TYR A 58 0.470 5.873 3.478 1.00 0.00 C ATOM 921 CZ TYR A 58 1.750 5.558 3.846 1.00 0.00 C ATOM 922 OH TYR A 58 2.366 4.468 3.290 1.00 0.00 O ATOM 0 H TYR A 58 -0.627 7.098 7.371 1.00 0.00 H new ATOM 0 HA TYR A 58 1.006 9.517 7.262 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.302 8.807 5.436 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.071 9.843 5.100 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.317 8.018 6.052 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.162 7.205 3.741 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.429 6.079 5.048 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.050 5.266 2.752 1.00 0.00 H new ATOM 0 HH TYR A 58 1.949 3.648 3.628 1.00 0.00 H new ATOM 932 N ASP A 59 -1.780 9.506 8.653 1.00 0.00 N ATOM 933 CA ASP A 59 -2.880 10.212 9.308 1.00 0.00 C ATOM 934 C ASP A 59 -3.880 10.758 8.301 1.00 0.00 C ATOM 935 O ASP A 59 -3.981 11.968 8.052 1.00 0.00 O ATOM 936 CB ASP A 59 -2.410 11.270 10.310 1.00 0.00 C ATOM 937 CG ASP A 59 -3.560 12.006 10.961 1.00 0.00 C ATOM 938 OD1 ASP A 59 -4.503 11.344 11.471 1.00 0.00 O ATOM 939 OD2 ASP A 59 -3.530 13.254 11.007 1.00 0.00 O ATOM 0 H ASP A 59 -1.641 8.560 9.009 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.407 9.468 9.906 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.806 10.792 11.081 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.766 11.987 9.800 1.00 0.00 H new ATOM 944 N GLN A 60 -4.522 9.840 7.653 1.00 0.00 N ATOM 945 CA GLN A 60 -5.538 10.103 6.667 1.00 0.00 C ATOM 946 C GLN A 60 -6.620 9.052 6.810 1.00 0.00 C ATOM 947 O GLN A 60 -6.420 8.059 7.498 1.00 0.00 O ATOM 948 CB GLN A 60 -4.947 10.054 5.246 1.00 0.00 C ATOM 949 CG GLN A 60 -3.999 11.202 4.909 1.00 0.00 C ATOM 950 CD GLN A 60 -3.427 11.104 3.516 1.00 0.00 C ATOM 951 OE1 GLN A 60 -4.013 11.591 2.567 1.00 0.00 O ATOM 952 NE2 GLN A 60 -2.262 10.526 3.392 1.00 0.00 N ATOM 0 H GLN A 60 -4.351 8.845 7.797 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.950 11.100 6.825 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.413 9.112 5.122 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.766 10.054 4.527 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.531 12.148 5.012 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.183 11.216 5.631 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.800 10.129 4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.814 10.472 2.477 1.00 0.00 H new ATOM 961 N SER A 61 -7.742 9.264 6.182 1.00 0.00 N ATOM 962 CA SER A 61 -8.821 8.312 6.231 1.00 0.00 C ATOM 963 C SER A 61 -8.577 7.222 5.172 1.00 0.00 C ATOM 964 O SER A 61 -7.978 7.504 4.119 1.00 0.00 O ATOM 965 CB SER A 61 -10.155 9.032 5.961 1.00 0.00 C ATOM 966 OG SER A 61 -11.257 8.154 6.072 1.00 0.00 O ATOM 0 H SER A 61 -7.936 10.096 5.624 1.00 0.00 H new ATOM 0 HA SER A 61 -8.867 7.850 7.217 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.273 9.855 6.666 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.137 9.468 4.962 1.00 0.00 H new ATOM 0 HG SER A 61 -12.086 8.646 5.896 1.00 0.00 H new ATOM 972 N PRO A 62 -9.010 5.955 5.429 1.00 0.00 N ATOM 973 CA PRO A 62 -8.883 4.849 4.465 1.00 0.00 C ATOM 974 C PRO A 62 -9.474 5.205 3.095 1.00 0.00 C ATOM 975 O PRO A 62 -8.985 4.739 2.063 1.00 0.00 O ATOM 976 CB PRO A 62 -9.697 3.722 5.111 1.00 0.00 C ATOM 977 CG PRO A 62 -9.614 4.000 6.566 1.00 0.00 C ATOM 978 CD PRO A 62 -9.619 5.496 6.700 1.00 0.00 C ATOM 0 HA PRO A 62 -7.841 4.591 4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.730 3.727 4.763 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.284 2.743 4.869 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.457 3.557 7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.707 3.572 6.994 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.629 5.885 6.825 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.042 5.824 7.564 1.00 0.00 H new ATOM 986 N SER A 63 -10.488 6.066 3.108 1.00 0.00 N ATOM 987 CA SER A 63 -11.169 6.539 1.921 1.00 0.00 C ATOM 988 C SER A 63 -10.200 7.195 0.918 1.00 0.00 C ATOM 989 O SER A 63 -10.259 6.921 -0.278 1.00 0.00 O ATOM 990 CB SER A 63 -12.229 7.533 2.352 1.00 0.00 C ATOM 991 OG SER A 63 -13.075 6.958 3.337 1.00 0.00 O ATOM 0 H SER A 63 -10.864 6.460 3.970 1.00 0.00 H new ATOM 0 HA SER A 63 -11.620 5.688 1.410 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.755 8.430 2.750 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.821 7.840 1.490 1.00 0.00 H new ATOM 0 HG SER A 63 -13.754 7.611 3.607 1.00 0.00 H new ATOM 997 N VAL A 64 -9.319 8.055 1.397 1.00 0.00 N ATOM 998 CA VAL A 64 -8.363 8.705 0.514 1.00 0.00 C ATOM 999 C VAL A 64 -7.156 7.790 0.285 1.00 0.00 C ATOM 1000 O VAL A 64 -6.535 7.803 -0.786 1.00 0.00 O ATOM 1001 CB VAL A 64 -7.924 10.123 1.048 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -7.249 10.052 2.404 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -7.042 10.860 0.048 1.00 0.00 C ATOM 0 H VAL A 64 -9.244 8.318 2.380 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.855 8.880 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.845 10.693 1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.968 11.055 2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.937 9.619 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.357 9.430 2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.763 11.831 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.143 10.275 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.589 11.002 -0.884 1.00 0.00 H new ATOM 1013 N LEU A 65 -6.891 6.948 1.277 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.760 6.037 1.271 1.00 0.00 C ATOM 1015 C LEU A 65 -5.890 5.004 0.143 1.00 0.00 C ATOM 1016 O LEU A 65 -5.000 4.897 -0.703 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.625 5.375 2.678 1.00 0.00 C ATOM 1018 CG LEU A 65 -4.387 4.479 2.988 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.470 3.103 2.338 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -3.102 5.182 2.582 1.00 0.00 C ATOM 0 H LEU A 65 -7.465 6.880 2.118 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.843 6.591 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.643 6.175 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.516 4.769 2.841 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.383 4.317 4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.580 2.527 2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.355 2.581 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.534 3.215 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.250 4.541 2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.125 5.394 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.008 6.117 3.135 1.00 0.00 H new ATOM 1032 N THR A 66 -7.009 4.283 0.104 1.00 0.00 N ATOM 1033 CA THR A 66 -7.192 3.237 -0.891 1.00 0.00 C ATOM 1034 C THR A 66 -7.200 3.825 -2.311 1.00 0.00 C ATOM 1035 O THR A 66 -6.658 3.221 -3.241 1.00 0.00 O ATOM 1036 CB THR A 66 -8.472 2.360 -0.623 1.00 0.00 C ATOM 1037 OG1 THR A 66 -8.545 1.272 -1.555 1.00 0.00 O ATOM 1038 CG2 THR A 66 -9.763 3.177 -0.707 1.00 0.00 C ATOM 0 H THR A 66 -7.793 4.404 0.744 1.00 0.00 H new ATOM 0 HA THR A 66 -6.338 2.565 -0.805 1.00 0.00 H new ATOM 0 HB THR A 66 -8.377 1.974 0.392 1.00 0.00 H new ATOM 0 HG1 THR A 66 -9.484 1.041 -1.715 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.617 2.528 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.738 3.974 0.036 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.854 3.612 -1.702 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.743 5.025 -2.443 1.00 0.00 N ATOM 1047 CA GLU A 67 -7.811 5.715 -3.709 1.00 0.00 C ATOM 1048 C GLU A 67 -6.436 6.052 -4.241 1.00 0.00 C ATOM 1049 O GLU A 67 -6.199 5.963 -5.444 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.668 6.951 -3.576 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.140 6.648 -3.515 1.00 0.00 C ATOM 1052 CD GLU A 67 -10.683 6.224 -4.848 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -10.491 5.069 -5.253 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -11.301 7.064 -5.524 1.00 0.00 O ATOM 0 H GLU A 67 -8.150 5.546 -1.666 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.272 5.047 -4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.377 7.492 -2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.474 7.612 -4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.318 5.859 -2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.678 7.531 -3.169 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.521 6.413 -3.354 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.159 6.692 -3.749 1.00 0.00 C ATOM 1063 C GLN A 68 -3.498 5.445 -4.305 1.00 0.00 C ATOM 1064 O GLN A 68 -3.048 5.442 -5.451 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.349 7.277 -2.598 1.00 0.00 C ATOM 1066 CG GLN A 68 -3.628 8.746 -2.315 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.272 9.639 -3.503 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -2.139 10.112 -3.624 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -4.222 9.893 -4.370 1.00 0.00 N ATOM 0 H GLN A 68 -5.703 6.518 -2.356 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.189 7.444 -4.537 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.554 6.701 -1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.288 7.157 -2.819 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.682 8.873 -2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.057 9.061 -1.442 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.149 9.488 -4.244 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.034 10.496 -5.171 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.523 4.371 -3.528 1.00 0.00 N ATOM 1079 CA LEU A 69 -2.923 3.091 -3.925 1.00 0.00 C ATOM 1080 C LEU A 69 -3.467 2.595 -5.270 1.00 0.00 C ATOM 1081 O LEU A 69 -2.706 2.116 -6.129 1.00 0.00 O ATOM 1082 CB LEU A 69 -3.126 2.017 -2.834 1.00 0.00 C ATOM 1083 CG LEU A 69 -2.165 2.019 -1.617 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -0.745 1.706 -2.047 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -2.202 3.333 -0.849 1.00 0.00 C ATOM 0 H LEU A 69 -3.957 4.355 -2.605 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.854 3.267 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.143 2.115 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.057 1.040 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.514 1.236 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.091 1.714 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.715 0.722 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.407 2.457 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.512 3.282 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.909 4.149 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.212 3.510 -0.480 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.760 2.743 -5.460 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.410 2.332 -6.691 1.00 0.00 C ATOM 1099 C ILE A 70 -5.060 3.274 -7.859 1.00 0.00 C ATOM 1100 O ILE A 70 -4.852 2.823 -8.992 1.00 0.00 O ATOM 1101 CB ILE A 70 -6.949 2.209 -6.502 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.248 1.091 -5.496 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.660 1.947 -7.831 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.708 0.935 -5.151 1.00 0.00 C ATOM 0 H ILE A 70 -5.391 3.150 -4.770 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.029 1.344 -6.947 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.329 3.155 -6.117 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.880 0.148 -5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.690 1.285 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.733 1.867 -7.660 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.463 2.770 -8.518 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.291 1.017 -8.264 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.828 0.123 -4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.080 1.862 -4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.273 0.707 -6.055 1.00 0.00 H new ATOM 1116 N SER A 71 -4.952 4.569 -7.591 1.00 0.00 N ATOM 1117 CA SER A 71 -4.622 5.516 -8.646 1.00 0.00 C ATOM 1118 C SER A 71 -3.179 5.343 -9.144 1.00 0.00 C ATOM 1119 O SER A 71 -2.877 5.613 -10.310 1.00 0.00 O ATOM 1120 CB SER A 71 -4.901 6.965 -8.216 1.00 0.00 C ATOM 1121 OG SER A 71 -4.156 7.343 -7.054 1.00 0.00 O ATOM 0 H SER A 71 -5.086 4.982 -6.668 1.00 0.00 H new ATOM 0 HA SER A 71 -5.279 5.294 -9.487 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.655 7.638 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.966 7.083 -8.016 1.00 0.00 H new ATOM 0 HG SER A 71 -3.928 6.542 -6.537 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.295 4.865 -8.269 1.00 0.00 N ATOM 1128 CA TRP A 72 -0.901 4.652 -8.648 1.00 0.00 C ATOM 1129 C TRP A 72 -0.749 3.338 -9.399 1.00 0.00 C ATOM 1130 O TRP A 72 0.248 3.108 -10.074 1.00 0.00 O ATOM 1131 CB TRP A 72 0.015 4.605 -7.424 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.030 5.799 -6.530 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.233 7.098 -6.883 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.183 5.793 -5.116 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.198 7.898 -5.769 1.00 0.00 N ATOM 1136 CE2 TRP A 72 0.068 7.119 -4.668 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.457 4.786 -4.186 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 0.212 7.462 -3.323 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.603 5.128 -2.858 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.482 6.453 -2.436 1.00 0.00 C ATOM 0 H TRP A 72 -2.517 4.621 -7.304 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.614 5.491 -9.282 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.242 3.725 -6.835 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.041 4.470 -7.767 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.397 7.447 -7.892 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -0.345 8.907 -5.759 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.553 3.758 -4.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.114 8.486 -2.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.815 4.357 -2.132 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.604 6.688 -1.389 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.747 2.483 -9.288 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.672 1.180 -9.912 1.00 0.00 C ATOM 1153 C GLY A 73 -0.901 0.205 -9.051 1.00 0.00 C ATOM 1154 O GLY A 73 -0.459 -0.841 -9.517 1.00 0.00 O ATOM 0 H GLY A 73 -2.610 2.666 -8.777 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.678 0.799 -10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.191 1.268 -10.886 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.724 0.560 -7.789 1.00 0.00 N ATOM 1159 CA VAL A 74 -0.020 -0.292 -6.854 1.00 0.00 C ATOM 1160 C VAL A 74 -0.990 -1.329 -6.319 1.00 0.00 C ATOM 1161 O VAL A 74 -0.637 -2.495 -6.130 1.00 0.00 O ATOM 1162 CB VAL A 74 0.604 0.526 -5.674 1.00 0.00 C ATOM 1163 CG1 VAL A 74 1.304 -0.386 -4.671 1.00 0.00 C ATOM 1164 CG2 VAL A 74 1.593 1.552 -6.202 1.00 0.00 C ATOM 0 H VAL A 74 -1.061 1.436 -7.390 1.00 0.00 H new ATOM 0 HA VAL A 74 0.805 -0.777 -7.376 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.213 1.037 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.726 0.215 -3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.584 -1.093 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.103 -0.933 -5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.017 2.111 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.392 1.043 -6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.080 2.238 -6.876 1.00 0.00 H new ATOM 1174 N LEU A 75 -2.219 -0.910 -6.131 1.00 0.00 N ATOM 1175 CA LEU A 75 -3.262 -1.773 -5.645 1.00 0.00 C ATOM 1176 C LEU A 75 -4.326 -1.904 -6.717 1.00 0.00 C ATOM 1177 O LEU A 75 -4.590 -0.942 -7.443 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.879 -1.188 -4.371 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.982 -2.016 -3.709 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -4.430 -3.328 -3.169 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.665 -1.219 -2.611 1.00 0.00 C ATOM 0 H LEU A 75 -2.522 0.047 -6.313 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.847 -2.753 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.082 -1.037 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.285 -0.205 -4.608 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.727 -2.256 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.235 -3.897 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.002 -3.907 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.657 -3.120 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.446 -1.826 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.932 -0.940 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.108 -0.319 -3.037 1.00 0.00 H new ATOM 1193 N ASP A 76 -4.914 -3.085 -6.818 1.00 0.00 N ATOM 1194 CA ASP A 76 -5.977 -3.354 -7.787 1.00 0.00 C ATOM 1195 C ASP A 76 -7.236 -2.565 -7.436 1.00 0.00 C ATOM 1196 O ASP A 76 -7.564 -2.388 -6.252 1.00 0.00 O ATOM 1197 CB ASP A 76 -6.305 -4.857 -7.851 1.00 0.00 C ATOM 1198 CG ASP A 76 -7.423 -5.174 -8.835 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -7.146 -5.423 -10.023 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -8.600 -5.174 -8.447 1.00 0.00 O ATOM 0 H ASP A 76 -4.672 -3.886 -6.234 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.619 -3.037 -8.766 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.409 -5.408 -8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.591 -5.205 -6.858 1.00 0.00 H new ATOM 1205 N ALA A 77 -7.934 -2.119 -8.463 1.00 0.00 N ATOM 1206 CA ALA A 77 -9.132 -1.304 -8.343 1.00 0.00 C ATOM 1207 C ALA A 77 -10.248 -1.964 -7.526 1.00 0.00 C ATOM 1208 O ALA A 77 -10.965 -1.293 -6.842 1.00 0.00 O ATOM 1209 CB ALA A 77 -9.645 -0.920 -9.721 1.00 0.00 C ATOM 0 H ALA A 77 -7.678 -2.318 -9.430 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.840 -0.411 -7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.542 -0.310 -9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.879 -0.352 -10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.882 -1.822 -10.285 1.00 0.00 H new ATOM 1215 N ASP A 78 -10.375 -3.266 -7.599 1.00 0.00 N ATOM 1216 CA ASP A 78 -11.447 -3.996 -6.896 1.00 0.00 C ATOM 1217 C ASP A 78 -11.101 -4.298 -5.462 1.00 0.00 C ATOM 1218 O ASP A 78 -11.991 -4.519 -4.634 1.00 0.00 O ATOM 1219 CB ASP A 78 -11.843 -5.280 -7.625 1.00 0.00 C ATOM 1220 CG ASP A 78 -12.720 -5.033 -8.820 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -12.238 -4.520 -9.842 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -13.926 -5.329 -8.751 1.00 0.00 O ATOM 0 H ASP A 78 -9.751 -3.864 -8.140 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.305 -3.324 -6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.941 -5.802 -7.945 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.363 -5.940 -6.930 1.00 0.00 H new ATOM 1227 N ALA A 79 -9.811 -4.269 -5.152 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.298 -4.582 -3.806 1.00 0.00 C ATOM 1229 C ALA A 79 -9.892 -3.656 -2.741 1.00 0.00 C ATOM 1230 O ALA A 79 -9.963 -4.005 -1.551 1.00 0.00 O ATOM 1231 CB ALA A 79 -7.785 -4.544 -3.780 1.00 0.00 C ATOM 0 H ALA A 79 -9.081 -4.028 -5.823 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.615 -5.596 -3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.432 -4.778 -2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.390 -5.277 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.441 -3.549 -4.062 1.00 0.00 H new ATOM 1237 N ARG A 80 -10.319 -2.477 -3.193 1.00 0.00 N ATOM 1238 CA ARG A 80 -10.982 -1.459 -2.367 1.00 0.00 C ATOM 1239 C ARG A 80 -12.147 -2.045 -1.560 1.00 0.00 C ATOM 1240 O ARG A 80 -12.406 -1.614 -0.453 1.00 0.00 O ATOM 1241 CB ARG A 80 -11.519 -0.343 -3.262 1.00 0.00 C ATOM 1242 CG ARG A 80 -12.552 -0.818 -4.281 1.00 0.00 C ATOM 1243 CD ARG A 80 -12.898 0.265 -5.270 1.00 0.00 C ATOM 1244 NE ARG A 80 -13.563 1.410 -4.651 1.00 0.00 N ATOM 1245 CZ ARG A 80 -13.079 2.663 -4.681 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -11.889 2.899 -5.224 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -13.773 3.663 -4.164 1.00 0.00 N ATOM 0 H ARG A 80 -10.212 -2.193 -4.167 1.00 0.00 H new ATOM 0 HA ARG A 80 -10.241 -1.072 -1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.967 0.429 -2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -10.686 0.119 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.165 -1.687 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.455 -1.138 -3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.987 0.604 -5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.544 -0.150 -6.044 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.447 1.248 -4.168 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -11.346 2.130 -5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.519 3.849 -5.248 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -14.683 3.486 -3.738 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -13.398 4.611 -4.191 1.00 0.00 H new ATOM 1261 N ARG A 81 -12.810 -3.062 -2.112 1.00 0.00 N ATOM 1262 CA ARG A 81 -13.979 -3.648 -1.480 1.00 0.00 C ATOM 1263 C ARG A 81 -13.604 -4.391 -0.209 1.00 0.00 C ATOM 1264 O ARG A 81 -14.404 -4.496 0.713 1.00 0.00 O ATOM 1265 CB ARG A 81 -14.725 -4.574 -2.446 1.00 0.00 C ATOM 1266 CG ARG A 81 -15.234 -3.876 -3.703 1.00 0.00 C ATOM 1267 CD ARG A 81 -16.038 -4.821 -4.588 1.00 0.00 C ATOM 1268 NE ARG A 81 -17.259 -5.312 -3.921 1.00 0.00 N ATOM 1269 CZ ARG A 81 -17.959 -6.397 -4.288 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -17.576 -7.119 -5.340 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -19.042 -6.750 -3.605 1.00 0.00 N ATOM 0 H ARG A 81 -12.551 -3.494 -2.999 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.648 -2.831 -1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.062 -5.388 -2.738 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.570 -5.023 -1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.855 -3.026 -3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.389 -3.480 -4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.312 -4.307 -5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.415 -5.670 -4.870 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.598 -4.785 -3.117 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.748 -6.848 -5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.111 -7.943 -5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.341 -6.197 -2.802 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.574 -7.574 -3.883 1.00 0.00 H new