USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 666 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 84 GLN : amide:sc= -0.177 X(o=1,f=0.88) USER MOD Set 1.2: A 88 THR OG1 : rot 78:sc= 1.21 USER MOD Set 2.1: A 20 ASN : amide:sc= 1.51 K(o=2.7,f=-5.9!) USER MOD Set 2.2: A 22 ASN : amide:sc= 1.16 K(o=2.7,f=0.46) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 1.16 (180deg=0.841) USER MOD Single : A 14 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.41) USER MOD Single : A 25 MET CE :methyl -123:sc= -0.483 (180deg=-0.702) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00344 USER MOD Single : A 44 SER OG : rot -61:sc= 1.28 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.127 USER MOD Single : A 49 TYR OH : rot -158:sc= 0.184 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -30:sc= 0.0724 USER MOD Single : A 52 HIS : no HD1:sc= -0.523 K(o=-0.52,f=-6.4!) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.21) USER MOD Single : A 59 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.23) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 165:sc= -0.411 USER MOD Single : A 65 MET CE :methyl 168:sc= -1.14 (180deg=-1.48) USER MOD Single : A 71 GLN : amide:sc= 0.0268 K(o=0.027,f=-1.5) USER MOD Single : A 73 TYR OH : rot 1:sc= 0.721 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0405) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= -0.207 K(o=-0.21,f=-3.2!) USER MOD Single : A 89 THR OG1 : rot 72:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 84 N ASP A 6 -7.947 9.596 6.509 1.00 0.00 N ATOM 85 CA ASP A 6 -8.646 8.483 5.934 1.00 0.00 C ATOM 86 C ASP A 6 -8.865 7.381 6.962 1.00 0.00 C ATOM 87 O ASP A 6 -7.903 6.913 7.595 1.00 0.00 O ATOM 88 CB ASP A 6 -7.889 7.930 4.754 1.00 0.00 C ATOM 89 CG ASP A 6 -8.744 6.994 3.963 1.00 0.00 C ATOM 90 OD1 ASP A 6 -8.812 5.809 4.306 1.00 0.00 O ATOM 91 OD2 ASP A 6 -9.396 7.478 2.997 1.00 0.00 O ATOM 0 HA ASP A 6 -9.618 8.845 5.598 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.553 8.748 4.117 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.997 7.409 5.101 1.00 0.00 H new ATOM 96 N PRO A 7 -10.128 6.956 7.160 1.00 0.00 N ATOM 97 CA PRO A 7 -10.463 5.897 8.106 1.00 0.00 C ATOM 98 C PRO A 7 -9.836 4.547 7.741 1.00 0.00 C ATOM 99 O PRO A 7 -9.492 3.766 8.620 1.00 0.00 O ATOM 100 CB PRO A 7 -11.994 5.797 8.032 1.00 0.00 C ATOM 101 CG PRO A 7 -12.440 7.072 7.411 1.00 0.00 C ATOM 102 CD PRO A 7 -11.335 7.491 6.496 1.00 0.00 C ATOM 0 HA PRO A 7 -10.082 6.131 9.100 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.304 4.939 7.435 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.428 5.669 9.024 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.371 6.934 6.861 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.628 7.831 8.170 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.461 7.077 5.496 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.289 8.575 6.389 1.00 0.00 H new ATOM 110 N GLU A 8 -9.717 4.256 6.466 1.00 0.00 N ATOM 111 CA GLU A 8 -9.160 2.988 6.048 1.00 0.00 C ATOM 112 C GLU A 8 -7.647 2.978 6.167 1.00 0.00 C ATOM 113 O GLU A 8 -7.032 1.942 6.421 1.00 0.00 O ATOM 114 CB GLU A 8 -9.668 2.574 4.676 1.00 0.00 C ATOM 115 CG GLU A 8 -11.194 2.497 4.627 1.00 0.00 C ATOM 116 CD GLU A 8 -11.784 1.590 5.704 1.00 0.00 C ATOM 117 OE1 GLU A 8 -11.919 2.027 6.887 1.00 0.00 O ATOM 118 OE2 GLU A 8 -12.168 0.448 5.393 1.00 0.00 O ATOM 0 H GLU A 8 -9.996 4.874 5.704 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.517 2.221 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.317 3.287 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.248 1.604 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.606 3.500 4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.502 2.134 3.646 1.00 0.00 H new ATOM 125 N PHE A 9 -7.055 4.139 6.005 1.00 0.00 N ATOM 126 CA PHE A 9 -5.617 4.296 6.164 1.00 0.00 C ATOM 127 C PHE A 9 -5.230 4.056 7.619 1.00 0.00 C ATOM 128 O PHE A 9 -4.193 3.439 7.914 1.00 0.00 O ATOM 129 CB PHE A 9 -5.183 5.687 5.706 1.00 0.00 C ATOM 130 CG PHE A 9 -3.700 5.908 5.698 1.00 0.00 C ATOM 131 CD1 PHE A 9 -2.952 5.600 4.576 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.057 6.439 6.805 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.593 5.818 4.557 1.00 0.00 C ATOM 134 CE2 PHE A 9 -1.703 6.653 6.793 1.00 0.00 C ATOM 135 CZ PHE A 9 -0.969 6.345 5.667 1.00 0.00 C ATOM 0 H PHE A 9 -7.547 4.999 5.761 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.104 3.561 5.543 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.568 5.861 4.701 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.644 6.430 6.357 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.439 5.184 3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.629 6.687 7.687 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.018 5.577 3.675 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.212 7.062 7.664 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.097 6.517 5.655 1.00 0.00 H new ATOM 145 N VAL A 10 -6.057 4.523 8.533 1.00 0.00 N ATOM 146 CA VAL A 10 -5.801 4.287 9.927 1.00 0.00 C ATOM 147 C VAL A 10 -5.984 2.789 10.246 1.00 0.00 C ATOM 148 O VAL A 10 -5.263 2.240 11.079 1.00 0.00 O ATOM 149 CB VAL A 10 -6.573 5.233 10.907 1.00 0.00 C ATOM 150 CG1 VAL A 10 -8.044 4.926 11.004 1.00 0.00 C ATOM 151 CG2 VAL A 10 -5.917 5.254 12.277 1.00 0.00 C ATOM 0 H VAL A 10 -6.900 5.061 8.333 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.760 4.554 10.108 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.508 6.233 10.478 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.515 5.620 11.700 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.503 5.030 10.021 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.180 3.905 11.361 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.474 5.919 12.937 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.914 4.247 12.695 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.891 5.611 12.184 1.00 0.00 H new ATOM 161 N LYS A 11 -6.938 2.121 9.541 1.00 0.00 N ATOM 162 CA LYS A 11 -7.117 0.660 9.655 1.00 0.00 C ATOM 163 C LYS A 11 -5.804 -0.051 9.359 1.00 0.00 C ATOM 164 O LYS A 11 -5.496 -1.071 9.947 1.00 0.00 O ATOM 165 CB LYS A 11 -8.131 0.129 8.652 1.00 0.00 C ATOM 166 CG LYS A 11 -9.517 0.653 8.802 1.00 0.00 C ATOM 167 CD LYS A 11 -10.197 0.199 10.070 1.00 0.00 C ATOM 168 CE LYS A 11 -11.678 0.548 10.032 1.00 0.00 C ATOM 169 NZ LYS A 11 -11.916 1.946 9.596 1.00 0.00 N ATOM 0 H LYS A 11 -7.586 2.573 8.895 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.464 0.470 10.671 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.779 0.364 7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.161 -0.958 8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.489 1.742 8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.112 0.335 7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.073 -0.877 10.191 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.727 0.673 10.932 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.192 -0.134 9.355 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.109 0.400 11.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.903 2.208 9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.278 2.584 10.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.734 2.027 8.575 1.00 0.00 H new ATOM 183 N LEU A 12 -5.053 0.504 8.418 1.00 0.00 N ATOM 184 CA LEU A 12 -3.757 -0.020 8.013 1.00 0.00 C ATOM 185 C LEU A 12 -2.722 0.147 9.130 1.00 0.00 C ATOM 186 O LEU A 12 -1.904 -0.740 9.370 1.00 0.00 O ATOM 187 CB LEU A 12 -3.295 0.665 6.721 1.00 0.00 C ATOM 188 CG LEU A 12 -4.142 0.396 5.482 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.647 1.224 4.322 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.099 -1.072 5.119 1.00 0.00 C ATOM 0 H LEU A 12 -5.331 1.342 7.908 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.858 -1.088 7.821 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.270 1.741 6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.272 0.351 6.513 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.173 0.673 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.260 1.023 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.713 2.282 4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.610 0.966 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.709 -1.246 4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.070 -1.366 4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.487 -1.663 5.948 1.00 0.00 H new ATOM 202 N ARG A 13 -2.787 1.272 9.829 1.00 0.00 N ATOM 203 CA ARG A 13 -1.908 1.532 10.982 1.00 0.00 C ATOM 204 C ARG A 13 -2.221 0.543 12.101 1.00 0.00 C ATOM 205 O ARG A 13 -1.342 0.129 12.862 1.00 0.00 O ATOM 206 CB ARG A 13 -2.086 2.978 11.480 1.00 0.00 C ATOM 207 CG ARG A 13 -1.528 4.046 10.546 1.00 0.00 C ATOM 208 CD ARG A 13 -0.003 4.043 10.568 1.00 0.00 C ATOM 209 NE ARG A 13 0.587 5.009 9.622 1.00 0.00 N ATOM 210 CZ ARG A 13 1.785 5.609 9.796 1.00 0.00 C ATOM 211 NH1 ARG A 13 2.516 5.350 10.878 1.00 0.00 N ATOM 212 NH2 ARG A 13 2.242 6.473 8.895 1.00 0.00 N ATOM 0 H ARG A 13 -3.440 2.028 9.623 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.871 1.403 10.672 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.149 3.167 11.633 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.602 3.075 12.452 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.882 3.868 9.530 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.898 5.026 10.845 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.341 4.273 11.576 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.357 3.042 10.329 1.00 0.00 H new ATOM 0 HE ARG A 13 0.056 5.239 8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.172 4.696 11.581 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.420 5.806 11.004 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.687 6.687 8.066 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.147 6.922 9.033 1.00 0.00 H new ATOM 226 N GLN A 14 -3.476 0.178 12.177 1.00 0.00 N ATOM 227 CA GLN A 14 -3.974 -0.792 13.134 1.00 0.00 C ATOM 228 C GLN A 14 -3.683 -2.233 12.666 1.00 0.00 C ATOM 229 O GLN A 14 -3.613 -3.156 13.476 1.00 0.00 O ATOM 230 CB GLN A 14 -5.479 -0.576 13.317 1.00 0.00 C ATOM 231 CG GLN A 14 -5.819 0.770 13.940 1.00 0.00 C ATOM 232 CD GLN A 14 -7.292 1.160 13.843 1.00 0.00 C ATOM 233 OE1 GLN A 14 -7.615 2.341 13.808 1.00 0.00 O ATOM 234 NE2 GLN A 14 -8.182 0.200 13.762 1.00 0.00 N ATOM 0 H GLN A 14 -4.200 0.552 11.564 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.464 -0.651 14.087 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.972 -0.656 12.348 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.880 -1.372 13.945 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.529 0.753 14.991 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.220 1.541 13.457 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.885 -0.775 13.794 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.172 0.429 13.667 1.00 0.00 H new ATOM 314 N VAL A 19 3.103 -8.139 6.464 1.00 0.00 N ATOM 315 CA VAL A 19 3.548 -8.377 5.113 1.00 0.00 C ATOM 316 C VAL A 19 5.044 -8.176 5.037 1.00 0.00 C ATOM 317 O VAL A 19 5.644 -7.594 5.963 1.00 0.00 O ATOM 318 CB VAL A 19 2.882 -7.348 4.154 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.410 -7.618 4.002 1.00 0.00 C ATOM 320 CG2 VAL A 19 3.076 -5.929 4.688 1.00 0.00 C ATOM 0 HA VAL A 19 3.279 -9.394 4.826 1.00 0.00 H new ATOM 0 HB VAL A 19 3.360 -7.447 3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.973 -6.883 3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.264 -8.618 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.925 -7.549 4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.606 -5.217 4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.619 -5.846 5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.141 -5.711 4.762 1.00 0.00 H new ATOM 330 N ASN A 20 5.660 -8.648 3.973 1.00 0.00 N ATOM 331 CA ASN A 20 7.061 -8.360 3.768 1.00 0.00 C ATOM 332 C ASN A 20 7.155 -6.953 3.224 1.00 0.00 C ATOM 333 O ASN A 20 6.627 -6.662 2.144 1.00 0.00 O ATOM 334 CB ASN A 20 7.723 -9.325 2.772 1.00 0.00 C ATOM 335 CG ASN A 20 9.255 -9.208 2.738 1.00 0.00 C ATOM 336 OD1 ASN A 20 9.828 -8.143 2.960 1.00 0.00 O ATOM 337 ND2 ASN A 20 9.918 -10.288 2.452 1.00 0.00 N ATOM 0 H ASN A 20 5.223 -9.221 3.251 1.00 0.00 H new ATOM 0 HA ASN A 20 7.584 -8.474 4.718 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.449 -10.348 3.031 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.329 -9.133 1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.937 -10.264 2.408 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.420 -11.160 2.272 1.00 0.00 H new ATOM 344 N PHE A 21 7.818 -6.094 3.959 1.00 0.00 N ATOM 345 CA PHE A 21 8.010 -4.700 3.593 1.00 0.00 C ATOM 346 C PHE A 21 8.649 -4.563 2.218 1.00 0.00 C ATOM 347 O PHE A 21 8.289 -3.679 1.432 1.00 0.00 O ATOM 348 CB PHE A 21 8.895 -4.016 4.643 1.00 0.00 C ATOM 349 CG PHE A 21 9.350 -2.636 4.257 1.00 0.00 C ATOM 350 CD1 PHE A 21 8.502 -1.559 4.350 1.00 0.00 C ATOM 351 CD2 PHE A 21 10.634 -2.433 3.784 1.00 0.00 C ATOM 352 CE1 PHE A 21 8.923 -0.303 3.976 1.00 0.00 C ATOM 353 CE2 PHE A 21 11.059 -1.186 3.416 1.00 0.00 C ATOM 354 CZ PHE A 21 10.204 -0.118 3.509 1.00 0.00 C ATOM 0 H PHE A 21 8.251 -6.343 4.848 1.00 0.00 H new ATOM 0 HA PHE A 21 7.031 -4.221 3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.346 -3.956 5.583 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.771 -4.638 4.825 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.497 -1.699 4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.311 -3.271 3.704 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.248 0.537 4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.066 -1.043 3.053 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.536 0.867 3.216 1.00 0.00 H new ATOM 364 N ASN A 22 9.532 -5.479 1.911 1.00 0.00 N ATOM 365 CA ASN A 22 10.309 -5.405 0.683 1.00 0.00 C ATOM 366 C ASN A 22 9.430 -5.762 -0.476 1.00 0.00 C ATOM 367 O ASN A 22 9.567 -5.223 -1.577 1.00 0.00 O ATOM 368 CB ASN A 22 11.524 -6.348 0.727 1.00 0.00 C ATOM 369 CG ASN A 22 12.455 -6.082 1.898 1.00 0.00 C ATOM 370 OD1 ASN A 22 13.366 -5.269 1.814 1.00 0.00 O ATOM 371 ND2 ASN A 22 12.239 -6.778 2.990 1.00 0.00 N ATOM 0 H ASN A 22 9.737 -6.292 2.492 1.00 0.00 H new ATOM 0 HA ASN A 22 10.683 -4.387 0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.173 -7.378 0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.085 -6.249 -0.203 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.840 -6.650 3.804 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.470 -7.447 3.025 1.00 0.00 H new ATOM 378 N LEU A 23 8.483 -6.630 -0.210 1.00 0.00 N ATOM 379 CA LEU A 23 7.582 -7.071 -1.216 1.00 0.00 C ATOM 380 C LEU A 23 6.548 -5.988 -1.479 1.00 0.00 C ATOM 381 O LEU A 23 6.250 -5.705 -2.612 1.00 0.00 O ATOM 382 CB LEU A 23 6.942 -8.407 -0.830 1.00 0.00 C ATOM 383 CG LEU A 23 6.062 -9.084 -1.888 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.835 -9.284 -3.181 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.585 -10.423 -1.376 1.00 0.00 C ATOM 0 H LEU A 23 8.326 -7.042 0.710 1.00 0.00 H new ATOM 0 HA LEU A 23 8.128 -7.248 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.739 -9.099 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.338 -8.249 0.063 1.00 0.00 H new ATOM 0 HG LEU A 23 5.205 -8.440 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.193 -9.766 -3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.163 -8.317 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.705 -9.913 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.960 -10.900 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.445 -11.058 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.005 -10.278 -0.464 1.00 0.00 H new ATOM 397 N VAL A 24 6.043 -5.351 -0.413 1.00 0.00 N ATOM 398 CA VAL A 24 5.086 -4.234 -0.551 1.00 0.00 C ATOM 399 C VAL A 24 5.722 -3.081 -1.310 1.00 0.00 C ATOM 400 O VAL A 24 5.086 -2.481 -2.182 1.00 0.00 O ATOM 401 CB VAL A 24 4.576 -3.725 0.818 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.570 -2.585 0.653 1.00 0.00 C ATOM 403 CG2 VAL A 24 3.951 -4.850 1.582 1.00 0.00 C ATOM 0 H VAL A 24 6.277 -5.586 0.552 1.00 0.00 H new ATOM 0 HA VAL A 24 4.231 -4.619 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 24 5.432 -3.340 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.233 -2.252 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.044 -1.754 0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.715 -2.935 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.595 -4.483 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.112 -5.253 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.690 -5.635 1.744 1.00 0.00 H new ATOM 413 N MET A 25 6.986 -2.788 -0.987 1.00 0.00 N ATOM 414 CA MET A 25 7.750 -1.774 -1.706 1.00 0.00 C ATOM 415 C MET A 25 7.764 -2.104 -3.194 1.00 0.00 C ATOM 416 O MET A 25 7.517 -1.241 -4.029 1.00 0.00 O ATOM 417 CB MET A 25 9.191 -1.663 -1.158 1.00 0.00 C ATOM 418 CG MET A 25 10.120 -0.804 -2.014 1.00 0.00 C ATOM 419 SD MET A 25 11.854 -0.904 -1.509 1.00 0.00 S ATOM 420 CE MET A 25 11.787 -0.203 0.132 1.00 0.00 C ATOM 0 H MET A 25 7.498 -3.242 -0.231 1.00 0.00 H new ATOM 0 HA MET A 25 7.269 -0.807 -1.558 1.00 0.00 H new ATOM 0 HB2 MET A 25 9.154 -1.247 -0.151 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.614 -2.664 -1.074 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.034 -1.114 -3.055 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.793 0.235 -1.963 1.00 0.00 H new ATOM 0 HE1 MET A 25 12.466 0.648 0.192 1.00 0.00 H new ATOM 0 HE2 MET A 25 10.771 0.128 0.345 1.00 0.00 H new ATOM 0 HE3 MET A 25 12.083 -0.956 0.862 1.00 0.00 H new ATOM 430 N GLN A 26 7.998 -3.365 -3.499 1.00 0.00 N ATOM 431 CA GLN A 26 7.996 -3.847 -4.865 1.00 0.00 C ATOM 432 C GLN A 26 6.587 -3.780 -5.474 1.00 0.00 C ATOM 433 O GLN A 26 6.449 -3.399 -6.610 1.00 0.00 O ATOM 434 CB GLN A 26 8.567 -5.270 -4.940 1.00 0.00 C ATOM 435 CG GLN A 26 8.496 -5.913 -6.319 1.00 0.00 C ATOM 436 CD GLN A 26 9.078 -7.309 -6.346 1.00 0.00 C ATOM 437 OE1 GLN A 26 9.056 -8.031 -5.347 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.571 -7.715 -7.483 1.00 0.00 N ATOM 0 H GLN A 26 8.195 -4.086 -2.805 1.00 0.00 H new ATOM 0 HA GLN A 26 8.640 -3.195 -5.455 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.608 -5.246 -4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.029 -5.900 -4.232 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.456 -5.952 -6.644 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.030 -5.288 -7.034 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.573 -7.091 -8.290 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.954 -8.657 -7.565 1.00 0.00 H new ATOM 447 N ILE A 27 5.557 -4.137 -4.695 1.00 0.00 N ATOM 448 CA ILE A 27 4.151 -4.082 -5.156 1.00 0.00 C ATOM 449 C ILE A 27 3.822 -2.663 -5.614 1.00 0.00 C ATOM 450 O ILE A 27 3.378 -2.442 -6.749 1.00 0.00 O ATOM 451 CB ILE A 27 3.135 -4.468 -4.011 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.360 -5.898 -3.480 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.680 -4.285 -4.457 1.00 0.00 C ATOM 454 CD1 ILE A 27 3.173 -6.998 -4.499 1.00 0.00 C ATOM 0 H ILE A 27 5.666 -4.469 -3.737 1.00 0.00 H new ATOM 0 HA ILE A 27 4.051 -4.799 -5.971 1.00 0.00 H new ATOM 0 HB ILE A 27 3.330 -3.779 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.371 -5.965 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.675 -6.073 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.012 -4.561 -3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.511 -3.243 -4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.481 -4.921 -5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.353 -7.964 -4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.154 -6.967 -4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.876 -6.857 -5.320 1.00 0.00 H new ATOM 466 N LEU A 28 4.108 -1.713 -4.743 1.00 0.00 N ATOM 467 CA LEU A 28 3.856 -0.310 -4.994 1.00 0.00 C ATOM 468 C LEU A 28 4.678 0.180 -6.173 1.00 0.00 C ATOM 469 O LEU A 28 4.193 0.907 -7.011 1.00 0.00 O ATOM 470 CB LEU A 28 4.189 0.503 -3.747 1.00 0.00 C ATOM 471 CG LEU A 28 3.356 0.199 -2.494 1.00 0.00 C ATOM 472 CD1 LEU A 28 3.915 0.938 -1.303 1.00 0.00 C ATOM 473 CD2 LEU A 28 1.905 0.586 -2.707 1.00 0.00 C ATOM 0 H LEU A 28 4.527 -1.898 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 28 2.801 -0.182 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.240 0.344 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.073 1.560 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 28 3.406 -0.873 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.315 0.714 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.945 0.624 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.890 2.011 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.333 0.362 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.841 1.653 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.497 0.022 -3.546 1.00 0.00 H new ATOM 485 N ASP A 29 5.909 -0.261 -6.234 1.00 0.00 N ATOM 486 CA ASP A 29 6.842 0.114 -7.300 1.00 0.00 C ATOM 487 C ASP A 29 6.356 -0.426 -8.651 1.00 0.00 C ATOM 488 O ASP A 29 6.246 0.313 -9.636 1.00 0.00 O ATOM 489 CB ASP A 29 8.201 -0.502 -6.987 1.00 0.00 C ATOM 490 CG ASP A 29 9.308 -0.021 -7.887 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.821 1.106 -7.672 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.706 -0.771 -8.793 1.00 0.00 O ATOM 0 H ASP A 29 6.309 -0.898 -5.544 1.00 0.00 H new ATOM 0 HA ASP A 29 6.909 1.201 -7.356 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.462 -0.277 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.125 -1.586 -7.067 1.00 0.00 H new ATOM 497 N GLU A 30 6.018 -1.706 -8.647 1.00 0.00 N ATOM 498 CA GLU A 30 5.608 -2.459 -9.827 1.00 0.00 C ATOM 499 C GLU A 30 4.335 -1.845 -10.443 1.00 0.00 C ATOM 500 O GLU A 30 4.239 -1.686 -11.675 1.00 0.00 O ATOM 501 CB GLU A 30 5.393 -3.933 -9.420 1.00 0.00 C ATOM 502 CG GLU A 30 5.556 -4.962 -10.530 1.00 0.00 C ATOM 503 CD GLU A 30 5.452 -6.392 -10.007 1.00 0.00 C ATOM 504 OE1 GLU A 30 6.280 -6.799 -9.154 1.00 0.00 O ATOM 505 OE2 GLU A 30 4.549 -7.136 -10.422 1.00 0.00 O ATOM 0 H GLU A 30 6.021 -2.269 -7.797 1.00 0.00 H new ATOM 0 HA GLU A 30 6.384 -2.414 -10.591 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.094 -4.175 -8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.390 -4.032 -9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.793 -4.798 -11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.523 -4.823 -11.014 1.00 0.00 H new ATOM 512 N ILE A 31 3.372 -1.466 -9.592 1.00 0.00 N ATOM 513 CA ILE A 31 2.159 -0.818 -10.088 1.00 0.00 C ATOM 514 C ILE A 31 2.460 0.614 -10.536 1.00 0.00 C ATOM 515 O ILE A 31 1.965 1.053 -11.550 1.00 0.00 O ATOM 516 CB ILE A 31 0.974 -0.792 -9.054 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.338 0.010 -7.801 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.541 -2.196 -8.678 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.223 0.157 -6.805 1.00 0.00 C ATOM 0 H ILE A 31 3.409 -1.594 -8.581 1.00 0.00 H new ATOM 0 HA ILE A 31 1.832 -1.427 -10.931 1.00 0.00 H new ATOM 0 HB ILE A 31 0.135 -0.294 -9.540 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.184 -0.472 -7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.669 1.003 -8.105 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.279 -2.144 -7.962 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.210 -2.726 -9.571 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.380 -2.728 -8.230 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.572 0.738 -5.952 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.618 0.668 -7.273 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.095 -0.829 -6.467 1.00 0.00 H new ATOM 531 N GLU A 32 3.313 1.306 -9.789 1.00 0.00 N ATOM 532 CA GLU A 32 3.650 2.702 -10.036 1.00 0.00 C ATOM 533 C GLU A 32 4.311 2.899 -11.398 1.00 0.00 C ATOM 534 O GLU A 32 3.905 3.773 -12.172 1.00 0.00 O ATOM 535 CB GLU A 32 4.551 3.212 -8.917 1.00 0.00 C ATOM 536 CG GLU A 32 4.992 4.639 -9.056 1.00 0.00 C ATOM 537 CD GLU A 32 5.834 5.076 -7.899 1.00 0.00 C ATOM 538 OE1 GLU A 32 5.288 5.484 -6.863 1.00 0.00 O ATOM 539 OE2 GLU A 32 7.070 5.002 -8.004 1.00 0.00 O ATOM 0 H GLU A 32 3.796 0.907 -8.984 1.00 0.00 H new ATOM 0 HA GLU A 32 2.725 3.279 -10.049 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.025 3.101 -7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.436 2.578 -8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.556 4.756 -9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.117 5.284 -9.133 1.00 0.00 H new ATOM 546 N LEU A 33 5.303 2.086 -11.694 1.00 0.00 N ATOM 547 CA LEU A 33 6.014 2.177 -12.961 1.00 0.00 C ATOM 548 C LEU A 33 5.139 1.729 -14.135 1.00 0.00 C ATOM 549 O LEU A 33 5.337 2.159 -15.277 1.00 0.00 O ATOM 550 CB LEU A 33 7.376 1.428 -12.901 1.00 0.00 C ATOM 551 CG LEU A 33 7.371 -0.080 -12.546 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.920 -0.952 -13.702 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.731 -0.519 -12.052 1.00 0.00 C ATOM 0 H LEU A 33 5.640 1.350 -11.074 1.00 0.00 H new ATOM 0 HA LEU A 33 6.245 3.227 -13.140 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.859 1.539 -13.872 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.004 1.939 -12.172 1.00 0.00 H new ATOM 0 HG LEU A 33 6.642 -0.210 -11.746 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.936 -1.998 -13.396 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.907 -0.675 -13.993 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.592 -0.811 -14.548 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.704 -1.581 -11.809 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.475 -0.343 -12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.996 0.051 -11.161 1.00 0.00 H new ATOM 565 N ASP A 34 4.185 0.858 -13.849 1.00 0.00 N ATOM 566 CA ASP A 34 3.240 0.393 -14.870 1.00 0.00 C ATOM 567 C ASP A 34 2.212 1.479 -15.146 1.00 0.00 C ATOM 568 O ASP A 34 1.890 1.779 -16.300 1.00 0.00 O ATOM 569 CB ASP A 34 2.534 -0.888 -14.415 1.00 0.00 C ATOM 570 CG ASP A 34 1.593 -1.452 -15.463 1.00 0.00 C ATOM 571 OD1 ASP A 34 2.041 -2.268 -16.305 1.00 0.00 O ATOM 572 OD2 ASP A 34 0.392 -1.109 -15.457 1.00 0.00 O ATOM 0 H ASP A 34 4.039 0.455 -12.923 1.00 0.00 H new ATOM 0 HA ASP A 34 3.794 0.174 -15.783 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.283 -1.640 -14.165 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.972 -0.682 -13.504 1.00 0.00 H new ATOM 577 N LEU A 35 1.739 2.079 -14.075 1.00 0.00 N ATOM 578 CA LEU A 35 0.747 3.134 -14.112 1.00 0.00 C ATOM 579 C LEU A 35 1.315 4.396 -14.775 1.00 0.00 C ATOM 580 O LEU A 35 0.797 4.849 -15.787 1.00 0.00 O ATOM 581 CB LEU A 35 0.315 3.445 -12.669 1.00 0.00 C ATOM 582 CG LEU A 35 -0.753 4.506 -12.473 1.00 0.00 C ATOM 583 CD1 LEU A 35 -2.059 4.067 -13.102 1.00 0.00 C ATOM 584 CD2 LEU A 35 -0.938 4.804 -10.995 1.00 0.00 C ATOM 0 H LEU A 35 2.041 1.841 -13.130 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.110 2.806 -14.701 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.043 2.520 -12.218 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.200 3.751 -12.111 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.429 5.421 -12.968 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.813 4.840 -12.952 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.912 3.906 -14.170 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.393 3.139 -12.637 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.707 5.567 -10.871 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.241 3.895 -10.476 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.001 5.165 -10.576 1.00 0.00 H new ATOM 664 N ILE A 41 -5.287 2.424 -12.727 1.00 0.00 N ATOM 665 CA ILE A 41 -4.436 1.822 -11.726 1.00 0.00 C ATOM 666 C ILE A 41 -4.978 0.465 -11.290 1.00 0.00 C ATOM 667 O ILE A 41 -4.211 -0.421 -10.949 1.00 0.00 O ATOM 668 CB ILE A 41 -4.176 2.786 -10.524 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.420 2.092 -9.368 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.455 3.450 -10.064 1.00 0.00 C ATOM 671 CD1 ILE A 41 -3.092 2.998 -8.203 1.00 0.00 C ATOM 0 HA ILE A 41 -3.462 1.642 -12.180 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.516 3.577 -10.881 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.021 1.258 -9.006 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.493 1.671 -9.757 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.240 4.114 -9.227 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.881 4.027 -10.885 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.168 2.688 -9.748 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.562 2.430 -7.438 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.462 3.819 -8.546 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.014 3.399 -7.783 1.00 0.00 H new ATOM 683 N LYS A 42 -6.299 0.292 -11.371 1.00 0.00 N ATOM 684 CA LYS A 42 -6.928 -0.991 -11.054 1.00 0.00 C ATOM 685 C LYS A 42 -6.343 -2.120 -11.910 1.00 0.00 C ATOM 686 O LYS A 42 -6.094 -3.210 -11.419 1.00 0.00 O ATOM 687 CB LYS A 42 -8.459 -0.920 -11.222 1.00 0.00 C ATOM 688 CG LYS A 42 -8.944 -0.505 -12.612 1.00 0.00 C ATOM 689 CD LYS A 42 -10.463 -0.454 -12.674 1.00 0.00 C ATOM 690 CE LYS A 42 -10.952 -0.016 -14.044 1.00 0.00 C ATOM 691 NZ LYS A 42 -12.426 0.038 -14.116 1.00 0.00 N ATOM 0 H LYS A 42 -6.952 1.023 -11.653 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.713 -1.211 -10.008 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.880 -1.897 -10.985 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.856 -0.216 -10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.534 0.473 -12.866 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.571 -1.210 -13.355 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.871 -1.437 -12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.836 0.235 -11.916 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.542 0.966 -14.278 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.577 -0.706 -14.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.716 0.341 -15.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.818 -0.905 -13.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.783 0.716 -13.413 1.00 0.00 H new ATOM 705 N THR A 43 -6.072 -1.816 -13.169 1.00 0.00 N ATOM 706 CA THR A 43 -5.533 -2.764 -14.097 1.00 0.00 C ATOM 707 C THR A 43 -4.078 -3.098 -13.712 1.00 0.00 C ATOM 708 O THR A 43 -3.675 -4.271 -13.709 1.00 0.00 O ATOM 709 CB THR A 43 -5.612 -2.173 -15.513 1.00 0.00 C ATOM 710 OG1 THR A 43 -6.932 -1.611 -15.687 1.00 0.00 O ATOM 711 CG2 THR A 43 -5.395 -3.249 -16.564 1.00 0.00 C ATOM 0 H THR A 43 -6.226 -0.890 -13.568 1.00 0.00 H new ATOM 0 HA THR A 43 -6.108 -3.689 -14.070 1.00 0.00 H new ATOM 0 HB THR A 43 -4.838 -1.415 -15.631 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.007 -1.225 -16.585 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.456 -2.805 -17.557 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.411 -3.698 -16.427 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.162 -4.017 -16.462 1.00 0.00 H new ATOM 719 N SER A 44 -3.320 -2.067 -13.337 1.00 0.00 N ATOM 720 CA SER A 44 -1.957 -2.234 -12.880 1.00 0.00 C ATOM 721 C SER A 44 -1.918 -3.097 -11.592 1.00 0.00 C ATOM 722 O SER A 44 -1.035 -3.947 -11.423 1.00 0.00 O ATOM 723 CB SER A 44 -1.335 -0.860 -12.656 1.00 0.00 C ATOM 724 OG SER A 44 -1.443 -0.069 -13.846 1.00 0.00 O ATOM 0 H SER A 44 -3.641 -1.099 -13.345 1.00 0.00 H new ATOM 0 HA SER A 44 -1.375 -2.760 -13.637 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.836 -0.356 -11.829 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.287 -0.968 -12.376 1.00 0.00 H new ATOM 0 HG SER A 44 -0.964 -0.512 -14.578 1.00 0.00 H new ATOM 730 N ILE A 45 -2.912 -2.885 -10.718 1.00 0.00 N ATOM 731 CA ILE A 45 -3.085 -3.659 -9.485 1.00 0.00 C ATOM 732 C ILE A 45 -3.191 -5.155 -9.813 1.00 0.00 C ATOM 733 O ILE A 45 -2.482 -5.981 -9.233 1.00 0.00 O ATOM 734 CB ILE A 45 -4.383 -3.203 -8.712 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.263 -1.765 -8.166 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.771 -4.169 -7.598 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.165 -1.563 -7.140 1.00 0.00 C ATOM 0 H ILE A 45 -3.623 -2.166 -10.850 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.216 -3.482 -8.851 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.185 -3.215 -9.450 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.089 -1.088 -9.002 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.215 -1.481 -7.719 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.670 -3.807 -7.099 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.963 -5.155 -8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.958 -4.237 -6.875 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.158 -0.523 -6.815 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.346 -2.210 -6.282 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.201 -1.811 -7.585 1.00 0.00 H new ATOM 749 N ILE A 46 -4.053 -5.468 -10.781 1.00 0.00 N ATOM 750 CA ILE A 46 -4.344 -6.844 -11.198 1.00 0.00 C ATOM 751 C ILE A 46 -3.077 -7.634 -11.541 1.00 0.00 C ATOM 752 O ILE A 46 -2.896 -8.756 -11.045 1.00 0.00 O ATOM 753 CB ILE A 46 -5.324 -6.880 -12.414 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.647 -6.193 -12.050 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.584 -8.321 -12.873 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.629 -6.079 -13.200 1.00 0.00 C ATOM 0 H ILE A 46 -4.576 -4.766 -11.305 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.819 -7.321 -10.341 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.859 -6.341 -13.239 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.119 -6.747 -11.238 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.432 -5.194 -11.671 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.269 -8.315 -13.720 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.643 -8.783 -13.171 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.025 -8.890 -12.054 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.536 -5.582 -12.856 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.180 -5.498 -14.006 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.878 -7.075 -13.566 1.00 0.00 H new ATOM 768 N TYR A 47 -2.187 -7.033 -12.342 1.00 0.00 N ATOM 769 CA TYR A 47 -0.983 -7.738 -12.802 1.00 0.00 C ATOM 770 C TYR A 47 -0.131 -8.136 -11.613 1.00 0.00 C ATOM 771 O TYR A 47 0.182 -9.314 -11.404 1.00 0.00 O ATOM 772 CB TYR A 47 -0.103 -6.858 -13.698 1.00 0.00 C ATOM 773 CG TYR A 47 -0.788 -6.133 -14.824 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.510 -6.803 -15.804 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.668 -4.764 -14.922 1.00 0.00 C ATOM 776 CE1 TYR A 47 -2.094 -6.109 -16.847 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.248 -4.066 -15.947 1.00 0.00 C ATOM 778 CZ TYR A 47 -1.957 -4.736 -16.909 1.00 0.00 C ATOM 779 OH TYR A 47 -2.526 -4.030 -17.944 1.00 0.00 O ATOM 0 H TYR A 47 -2.275 -6.075 -12.681 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.330 -8.605 -13.364 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.389 -6.117 -13.068 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.680 -7.485 -14.125 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.616 -7.876 -15.750 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.103 -4.229 -14.173 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.652 -6.636 -17.607 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.147 -2.992 -15.997 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.334 -3.075 -17.833 1.00 0.00 H new ATOM 789 N VAL A 48 0.164 -7.145 -10.804 1.00 0.00 N ATOM 790 CA VAL A 48 1.055 -7.275 -9.681 1.00 0.00 C ATOM 791 C VAL A 48 0.494 -8.225 -8.631 1.00 0.00 C ATOM 792 O VAL A 48 1.200 -9.115 -8.144 1.00 0.00 O ATOM 793 CB VAL A 48 1.347 -5.883 -9.084 1.00 0.00 C ATOM 794 CG1 VAL A 48 2.316 -5.964 -7.919 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.894 -4.974 -10.174 1.00 0.00 C ATOM 0 H VAL A 48 -0.219 -6.206 -10.913 1.00 0.00 H new ATOM 0 HA VAL A 48 1.993 -7.709 -10.029 1.00 0.00 H new ATOM 0 HB VAL A 48 0.415 -5.470 -8.697 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.497 -4.964 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.891 -6.591 -7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.258 -6.396 -8.258 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.102 -3.989 -9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.814 -5.399 -10.575 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.159 -4.881 -10.973 1.00 0.00 H new ATOM 805 N TYR A 49 -0.777 -8.081 -8.325 1.00 0.00 N ATOM 806 CA TYR A 49 -1.424 -8.944 -7.356 1.00 0.00 C ATOM 807 C TYR A 49 -1.439 -10.386 -7.827 1.00 0.00 C ATOM 808 O TYR A 49 -1.174 -11.282 -7.056 1.00 0.00 O ATOM 809 CB TYR A 49 -2.843 -8.462 -7.008 1.00 0.00 C ATOM 810 CG TYR A 49 -2.910 -7.237 -6.096 1.00 0.00 C ATOM 811 CD1 TYR A 49 -1.857 -6.328 -6.004 1.00 0.00 C ATOM 812 CD2 TYR A 49 -4.035 -7.003 -5.319 1.00 0.00 C ATOM 813 CE1 TYR A 49 -1.928 -5.229 -5.172 1.00 0.00 C ATOM 814 CE2 TYR A 49 -4.115 -5.901 -4.484 1.00 0.00 C ATOM 815 CZ TYR A 49 -3.060 -5.018 -4.417 1.00 0.00 C ATOM 816 OH TYR A 49 -3.136 -3.923 -3.588 1.00 0.00 O ATOM 0 H TYR A 49 -1.386 -7.372 -8.734 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.833 -8.893 -6.441 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.369 -8.234 -7.935 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.380 -9.281 -6.530 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.968 -6.487 -6.596 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.864 -7.693 -5.366 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.100 -4.538 -5.113 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.000 -5.735 -3.888 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.799 -4.090 -2.886 1.00 0.00 H new ATOM 826 N SER A 50 -1.668 -10.595 -9.112 1.00 0.00 N ATOM 827 CA SER A 50 -1.716 -11.932 -9.660 1.00 0.00 C ATOM 828 C SER A 50 -0.308 -12.546 -9.751 1.00 0.00 C ATOM 829 O SER A 50 -0.157 -13.767 -9.798 1.00 0.00 O ATOM 830 CB SER A 50 -2.416 -11.937 -11.029 1.00 0.00 C ATOM 831 OG SER A 50 -2.638 -13.265 -11.502 1.00 0.00 O ATOM 0 H SER A 50 -1.823 -9.852 -9.793 1.00 0.00 H new ATOM 0 HA SER A 50 -2.302 -12.553 -8.982 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.369 -11.414 -10.953 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.809 -11.390 -11.750 1.00 0.00 H new ATOM 0 HG SER A 50 -3.086 -13.231 -12.373 1.00 0.00 H new ATOM 837 N SER A 51 0.702 -11.708 -9.770 1.00 0.00 N ATOM 838 CA SER A 51 2.061 -12.170 -9.873 1.00 0.00 C ATOM 839 C SER A 51 2.689 -12.315 -8.463 1.00 0.00 C ATOM 840 O SER A 51 3.838 -12.764 -8.308 1.00 0.00 O ATOM 841 CB SER A 51 2.863 -11.189 -10.749 1.00 0.00 C ATOM 842 OG SER A 51 4.124 -11.722 -11.119 1.00 0.00 O ATOM 0 H SER A 51 0.603 -10.694 -9.715 1.00 0.00 H new ATOM 0 HA SER A 51 2.082 -13.154 -10.342 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.291 -10.952 -11.646 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.008 -10.254 -10.208 1.00 0.00 H new ATOM 0 HG SER A 51 4.441 -12.330 -10.418 1.00 0.00 H new ATOM 848 N HIS A 52 1.946 -11.931 -7.441 1.00 0.00 N ATOM 849 CA HIS A 52 2.427 -12.008 -6.058 1.00 0.00 C ATOM 850 C HIS A 52 1.268 -12.470 -5.154 1.00 0.00 C ATOM 851 O HIS A 52 1.171 -12.067 -3.987 1.00 0.00 O ATOM 852 CB HIS A 52 2.952 -10.618 -5.583 1.00 0.00 C ATOM 853 CG HIS A 52 4.119 -10.033 -6.384 1.00 0.00 C ATOM 854 ND1 HIS A 52 5.441 -10.316 -6.127 1.00 0.00 N ATOM 855 CD2 HIS A 52 4.136 -9.145 -7.415 1.00 0.00 C ATOM 856 CE1 HIS A 52 6.212 -9.627 -6.958 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.442 -8.913 -7.744 1.00 0.00 N ATOM 0 H HIS A 52 1.001 -11.560 -7.535 1.00 0.00 H new ATOM 0 HA HIS A 52 3.250 -12.720 -6.000 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.125 -9.909 -5.614 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.259 -10.704 -4.541 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.272 -8.703 -7.889 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.291 -9.650 -6.983 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.765 -8.286 -8.481 1.00 0.00 H new ATOM 866 N LEU A 53 0.458 -13.389 -5.698 1.00 0.00 N ATOM 867 CA LEU A 53 -0.814 -13.876 -5.097 1.00 0.00 C ATOM 868 C LEU A 53 -0.749 -14.260 -3.639 1.00 0.00 C ATOM 869 O LEU A 53 -1.631 -13.895 -2.878 1.00 0.00 O ATOM 870 CB LEU A 53 -1.365 -15.075 -5.866 1.00 0.00 C ATOM 871 CG LEU A 53 -1.929 -14.804 -7.248 1.00 0.00 C ATOM 872 CD1 LEU A 53 -2.280 -16.110 -7.939 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.163 -13.924 -7.146 1.00 0.00 C ATOM 0 H LEU A 53 0.666 -13.833 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.468 -13.007 -5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.567 -15.811 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.149 -15.533 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.172 -14.286 -7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.684 -15.900 -8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.384 -16.723 -8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.025 -16.645 -7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.559 -13.736 -8.144 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.920 -14.427 -6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.897 -12.977 -6.677 1.00 0.00 H new ATOM 885 N ASP A 54 0.266 -14.987 -3.257 1.00 0.00 N ATOM 886 CA ASP A 54 0.340 -15.542 -1.901 1.00 0.00 C ATOM 887 C ASP A 54 0.331 -14.477 -0.808 1.00 0.00 C ATOM 888 O ASP A 54 -0.477 -14.555 0.121 1.00 0.00 O ATOM 889 CB ASP A 54 1.522 -16.488 -1.735 1.00 0.00 C ATOM 890 CG ASP A 54 1.604 -17.070 -0.342 1.00 0.00 C ATOM 891 OD1 ASP A 54 0.794 -17.958 -0.004 1.00 0.00 O ATOM 892 OD2 ASP A 54 2.498 -16.685 0.418 1.00 0.00 O ATOM 0 H ASP A 54 1.061 -15.218 -3.853 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.575 -16.121 -1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.440 -17.298 -2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.446 -15.953 -1.957 1.00 0.00 H new ATOM 897 N GLU A 55 1.173 -13.455 -0.944 1.00 0.00 N ATOM 898 CA GLU A 55 1.231 -12.391 0.064 1.00 0.00 C ATOM 899 C GLU A 55 -0.076 -11.606 0.036 1.00 0.00 C ATOM 900 O GLU A 55 -0.581 -11.159 1.082 1.00 0.00 O ATOM 901 CB GLU A 55 2.421 -11.450 -0.179 1.00 0.00 C ATOM 902 CG GLU A 55 2.658 -10.418 0.939 1.00 0.00 C ATOM 903 CD GLU A 55 3.144 -11.034 2.242 1.00 0.00 C ATOM 904 OE1 GLU A 55 2.388 -11.768 2.891 1.00 0.00 O ATOM 905 OE2 GLU A 55 4.301 -10.779 2.645 1.00 0.00 O ATOM 0 H GLU A 55 1.816 -13.338 -1.727 1.00 0.00 H new ATOM 0 HA GLU A 55 1.370 -12.847 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.323 -12.050 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.263 -10.920 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.390 -9.686 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.730 -9.878 1.126 1.00 0.00 H new ATOM 912 N ILE A 56 -0.641 -11.484 -1.170 1.00 0.00 N ATOM 913 CA ILE A 56 -1.909 -10.801 -1.376 1.00 0.00 C ATOM 914 C ILE A 56 -3.010 -11.565 -0.641 1.00 0.00 C ATOM 915 O ILE A 56 -3.844 -10.981 0.004 1.00 0.00 O ATOM 916 CB ILE A 56 -2.305 -10.711 -2.898 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.201 -10.065 -3.766 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.631 -9.975 -3.089 1.00 0.00 C ATOM 919 CD1 ILE A 56 -0.729 -8.707 -3.313 1.00 0.00 C ATOM 0 H ILE A 56 -0.228 -11.857 -2.025 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.798 -9.786 -0.994 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.425 -11.739 -3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.344 -10.738 -3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.570 -9.979 -4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.873 -9.931 -4.151 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.421 -10.505 -2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.545 -8.962 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.044 -8.346 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.568 -8.011 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.322 -8.781 -2.305 1.00 0.00 H new ATOM 931 N ARG A 57 -2.960 -12.879 -0.740 1.00 0.00 N ATOM 932 CA ARG A 57 -3.955 -13.764 -0.153 1.00 0.00 C ATOM 933 C ARG A 57 -3.934 -13.679 1.368 1.00 0.00 C ATOM 934 O ARG A 57 -4.974 -13.490 2.010 1.00 0.00 O ATOM 935 CB ARG A 57 -3.666 -15.204 -0.567 1.00 0.00 C ATOM 936 CG ARG A 57 -4.845 -16.154 -0.437 1.00 0.00 C ATOM 937 CD ARG A 57 -5.828 -15.968 -1.584 1.00 0.00 C ATOM 938 NE ARG A 57 -6.494 -14.645 -1.596 1.00 0.00 N ATOM 939 CZ ARG A 57 -6.411 -13.740 -2.598 1.00 0.00 C ATOM 940 NH1 ARG A 57 -5.641 -13.980 -3.659 1.00 0.00 N ATOM 941 NH2 ARG A 57 -7.113 -12.614 -2.528 1.00 0.00 N ATOM 0 H ARG A 57 -2.218 -13.372 -1.237 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.937 -13.454 -0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.327 -15.208 -1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.843 -15.583 0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.487 -17.183 -0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.352 -15.981 0.512 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.300 -16.107 -2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.589 -16.746 -1.527 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.060 -14.397 -0.785 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.111 -14.849 -3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.582 -13.294 -4.412 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.711 -12.435 -1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.054 -11.928 -3.281 1.00 0.00 H new ATOM 955 N LYS A 58 -2.738 -13.807 1.923 1.00 0.00 N ATOM 956 CA LYS A 58 -2.505 -13.782 3.372 1.00 0.00 C ATOM 957 C LYS A 58 -3.007 -12.494 3.992 1.00 0.00 C ATOM 958 O LYS A 58 -3.486 -12.478 5.129 1.00 0.00 O ATOM 959 CB LYS A 58 -1.012 -13.884 3.647 1.00 0.00 C ATOM 960 CG LYS A 58 -0.368 -15.194 3.242 1.00 0.00 C ATOM 961 CD LYS A 58 1.139 -15.030 3.098 1.00 0.00 C ATOM 962 CE LYS A 58 1.809 -14.550 4.372 1.00 0.00 C ATOM 963 NZ LYS A 58 3.151 -14.015 4.088 1.00 0.00 N ATOM 0 H LYS A 58 -1.885 -13.933 1.378 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.044 -14.623 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.506 -13.072 3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.844 -13.730 4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.586 -15.958 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.793 -15.538 2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.576 -15.984 2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.347 -14.322 2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.197 -13.780 4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.884 -15.374 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.611 -13.740 4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.722 -14.744 3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.069 -13.183 3.469 1.00 0.00 H new ATOM 977 N ASN A 59 -2.906 -11.425 3.249 1.00 0.00 N ATOM 978 CA ASN A 59 -3.258 -10.118 3.747 1.00 0.00 C ATOM 979 C ASN A 59 -4.234 -9.473 2.795 1.00 0.00 C ATOM 980 O ASN A 59 -4.110 -8.296 2.447 1.00 0.00 O ATOM 981 CB ASN A 59 -2.000 -9.259 3.878 1.00 0.00 C ATOM 982 CG ASN A 59 -0.936 -9.895 4.741 1.00 0.00 C ATOM 983 OD1 ASN A 59 -0.922 -9.724 5.955 1.00 0.00 O ATOM 984 ND2 ASN A 59 -0.027 -10.624 4.121 1.00 0.00 N ATOM 0 H ASN A 59 -2.578 -11.433 2.283 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.721 -10.210 4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.590 -9.071 2.885 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.271 -8.291 4.299 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.721 -11.068 4.654 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.072 -10.743 3.109 1.00 0.00 H new ATOM 991 N LYS A 60 -5.224 -10.247 2.407 1.00 0.00 N ATOM 992 CA LYS A 60 -6.259 -9.841 1.450 1.00 0.00 C ATOM 993 C LYS A 60 -6.953 -8.533 1.846 1.00 0.00 C ATOM 994 O LYS A 60 -7.267 -7.706 0.994 1.00 0.00 O ATOM 995 CB LYS A 60 -7.269 -10.982 1.282 1.00 0.00 C ATOM 996 CG LYS A 60 -7.926 -11.404 2.584 1.00 0.00 C ATOM 997 CD LYS A 60 -8.760 -12.645 2.420 1.00 0.00 C ATOM 998 CE LYS A 60 -9.452 -12.992 3.719 1.00 0.00 C ATOM 999 NZ LYS A 60 -10.236 -14.226 3.611 1.00 0.00 N ATOM 0 H LYS A 60 -5.344 -11.200 2.750 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.775 -9.641 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.041 -10.673 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.764 -11.842 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.158 -11.581 3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.553 -10.592 2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.501 -12.491 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.129 -13.476 2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.708 -13.103 4.508 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.107 -12.171 4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.694 -14.427 4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.963 -14.112 2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.608 -15.015 3.357 1.00 0.00 H new ATOM 1013 N GLU A 61 -7.156 -8.336 3.134 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.782 -7.140 3.631 1.00 0.00 C ATOM 1015 C GLU A 61 -6.834 -5.958 3.482 1.00 0.00 C ATOM 1016 O GLU A 61 -7.232 -4.890 3.045 1.00 0.00 O ATOM 1017 CB GLU A 61 -8.184 -7.350 5.073 1.00 0.00 C ATOM 1018 CG GLU A 61 -9.180 -8.480 5.238 1.00 0.00 C ATOM 1019 CD GLU A 61 -9.413 -8.840 6.668 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -8.658 -9.688 7.199 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -10.358 -8.307 7.284 1.00 0.00 O ATOM 0 H GLU A 61 -6.890 -9.003 3.859 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.679 -6.920 3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.296 -7.563 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.616 -6.429 5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.127 -8.193 4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.820 -9.357 4.701 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.564 -6.183 3.794 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.524 -5.158 3.673 1.00 0.00 C ATOM 1030 C PHE A 62 -4.386 -4.734 2.231 1.00 0.00 C ATOM 1031 O PHE A 62 -4.415 -3.548 1.919 1.00 0.00 O ATOM 1032 CB PHE A 62 -3.178 -5.707 4.179 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.986 -4.790 3.982 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.761 -3.725 4.834 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -1.094 -5.007 2.938 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.672 -2.892 4.650 1.00 0.00 C ATOM 1037 CE2 PHE A 62 -0.005 -4.180 2.749 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.206 -3.122 3.606 1.00 0.00 C ATOM 0 H PHE A 62 -5.221 -7.080 4.138 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.809 -4.297 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.272 -5.929 5.242 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.976 -6.651 3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.442 -3.541 5.652 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.256 -5.836 2.264 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.507 -2.062 5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.679 -4.362 1.933 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.057 -2.472 3.463 1.00 0.00 H new ATOM 1048 N TYR A 63 -4.269 -5.712 1.359 1.00 0.00 N ATOM 1049 CA TYR A 63 -4.089 -5.454 -0.035 1.00 0.00 C ATOM 1050 C TYR A 63 -5.287 -4.838 -0.692 1.00 0.00 C ATOM 1051 O TYR A 63 -5.125 -4.025 -1.591 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.524 -6.646 -0.787 1.00 0.00 C ATOM 1053 CG TYR A 63 -2.054 -6.828 -0.494 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -1.111 -6.031 -1.127 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.609 -7.757 0.428 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.235 -6.158 -0.857 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.263 -7.889 0.708 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.653 -7.085 0.061 1.00 0.00 C ATOM 1059 OH TYR A 63 1.990 -7.212 0.335 1.00 0.00 O ATOM 0 H TYR A 63 -4.297 -6.702 1.605 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.320 -4.683 -0.093 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.068 -7.548 -0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.670 -6.506 -1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.438 -5.295 -1.847 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.323 -8.388 0.936 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.954 -5.532 -1.365 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.071 -8.619 1.431 1.00 0.00 H new ATOM 0 HH TYR A 63 2.107 -7.727 1.161 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.479 -5.183 -0.238 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.679 -4.526 -0.753 1.00 0.00 C ATOM 1071 C ASP A 64 -7.721 -3.090 -0.287 1.00 0.00 C ATOM 1072 O ASP A 64 -7.925 -2.182 -1.089 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.970 -5.234 -0.346 1.00 0.00 C ATOM 1074 CG ASP A 64 -10.201 -4.470 -0.816 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.520 -4.505 -2.024 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -10.868 -3.816 0.012 1.00 0.00 O ATOM 0 H ASP A 64 -6.647 -5.897 0.470 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.618 -4.570 -1.840 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.982 -6.239 -0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.000 -5.342 0.738 1.00 0.00 H new ATOM 1081 N MET A 65 -7.482 -2.883 1.011 1.00 0.00 N ATOM 1082 CA MET A 65 -7.482 -1.544 1.588 1.00 0.00 C ATOM 1083 C MET A 65 -6.460 -0.651 0.936 1.00 0.00 C ATOM 1084 O MET A 65 -6.785 0.472 0.559 1.00 0.00 O ATOM 1085 CB MET A 65 -7.304 -1.550 3.111 1.00 0.00 C ATOM 1086 CG MET A 65 -8.491 -2.121 3.855 1.00 0.00 C ATOM 1087 SD MET A 65 -8.338 -2.044 5.662 1.00 0.00 S ATOM 1088 CE MET A 65 -6.956 -3.145 5.955 1.00 0.00 C ATOM 0 H MET A 65 -7.286 -3.629 1.679 1.00 0.00 H new ATOM 0 HA MET A 65 -8.471 -1.134 1.383 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.415 -2.128 3.363 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.128 -0.530 3.452 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.389 -1.582 3.554 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.628 -3.160 3.556 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.614 -3.033 6.984 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.270 -4.175 5.787 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.143 -2.897 5.273 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.235 -1.139 0.755 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.244 -0.315 0.107 1.00 0.00 C ATOM 1100 C ILE A 66 -4.601 -0.066 -1.342 1.00 0.00 C ATOM 1101 O ILE A 66 -4.493 1.036 -1.782 1.00 0.00 O ATOM 1102 CB ILE A 66 -2.765 -0.785 0.228 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.531 -2.139 -0.424 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.346 -0.830 1.685 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.071 -2.456 -0.630 1.00 0.00 C ATOM 0 H ILE A 66 -4.921 -2.067 1.039 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.280 0.616 0.673 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.153 -0.058 -0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.981 -2.915 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.041 -2.164 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.310 -1.160 1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.441 0.164 2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.986 -1.526 2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.974 -3.435 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.622 -1.700 -1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.561 -2.463 0.333 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.096 -1.091 -2.055 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.488 -0.932 -3.466 1.00 0.00 C ATOM 1119 C ALA A 67 -6.577 0.110 -3.591 1.00 0.00 C ATOM 1120 O ALA A 67 -6.558 0.946 -4.498 1.00 0.00 O ATOM 1121 CB ALA A 67 -5.965 -2.249 -4.061 1.00 0.00 C ATOM 0 H ALA A 67 -5.234 -2.030 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.608 -0.606 -4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.247 -2.097 -5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.163 -2.985 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.828 -2.610 -3.501 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.511 0.056 -2.668 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.605 0.989 -2.585 1.00 0.00 C ATOM 1129 C GLU A 68 -8.041 2.408 -2.431 1.00 0.00 C ATOM 1130 O GLU A 68 -8.304 3.292 -3.262 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.454 0.632 -1.361 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.754 1.380 -1.256 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.677 1.038 -2.388 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -12.160 -0.112 -2.436 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -11.943 1.912 -3.241 1.00 0.00 O ATOM 0 H GLU A 68 -7.529 -0.656 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.218 0.942 -3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.667 -0.437 -1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.868 0.822 -0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.236 1.143 -0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.559 2.452 -1.255 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.223 2.578 -1.403 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.574 3.843 -1.072 1.00 0.00 C ATOM 1144 C ILE A 69 -5.637 4.330 -2.193 1.00 0.00 C ATOM 1145 O ILE A 69 -5.621 5.504 -2.498 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.830 3.739 0.293 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.858 3.493 1.406 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -4.998 4.994 0.593 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -6.254 3.222 2.757 1.00 0.00 C ATOM 0 H ILE A 69 -6.985 1.824 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.356 4.596 -0.976 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.132 2.904 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.511 4.363 1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.485 2.647 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.497 4.877 1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.253 5.132 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.653 5.865 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.049 3.059 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.624 2.334 2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.650 4.076 3.064 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.888 3.424 -2.806 1.00 0.00 N ATOM 1162 CA LEU A 70 -3.992 3.762 -3.924 1.00 0.00 C ATOM 1163 C LEU A 70 -4.751 4.448 -5.055 1.00 0.00 C ATOM 1164 O LEU A 70 -4.328 5.475 -5.553 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.268 2.506 -4.444 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.254 1.861 -3.484 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -1.813 0.511 -4.001 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -1.047 2.757 -3.295 1.00 0.00 C ATOM 0 H LEU A 70 -4.878 2.437 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.245 4.461 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.019 1.759 -4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.749 2.767 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.745 1.726 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.096 0.072 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.679 -0.145 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.345 0.631 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.343 2.280 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.563 2.923 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.365 3.713 -2.879 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.891 3.899 -5.412 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.721 4.468 -6.472 1.00 0.00 C ATOM 1182 C GLN A 71 -7.339 5.792 -5.995 1.00 0.00 C ATOM 1183 O GLN A 71 -7.202 6.841 -6.628 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.824 3.477 -6.826 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.311 2.123 -7.274 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.410 1.111 -7.437 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -8.999 0.971 -8.511 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.675 0.391 -6.393 1.00 0.00 N ATOM 0 H GLN A 71 -6.273 3.055 -4.986 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.109 4.663 -7.353 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.470 3.341 -5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.440 3.902 -7.618 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.782 2.235 -8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.588 1.754 -6.546 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.161 0.543 -5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.397 -0.328 -6.439 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.954 5.713 -4.850 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.641 6.804 -4.179 1.00 0.00 C ATOM 1199 C ARG A 72 -7.710 8.027 -3.984 1.00 0.00 C ATOM 1200 O ARG A 72 -8.082 9.165 -4.269 1.00 0.00 O ATOM 1201 CB ARG A 72 -9.102 6.201 -2.857 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.787 7.056 -1.830 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.216 6.120 -0.704 1.00 0.00 C ATOM 1204 NE ARG A 72 -10.663 6.791 0.522 1.00 0.00 N ATOM 1205 CZ ARG A 72 -11.865 6.684 1.073 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -12.867 6.100 0.411 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -12.052 7.167 2.294 1.00 0.00 N ATOM 0 H ARG A 72 -7.998 4.841 -4.322 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.480 7.192 -4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.778 5.380 -3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.225 5.763 -2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.114 7.829 -1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.649 7.565 -2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.023 5.484 -1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.380 5.465 -0.458 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.989 7.394 0.993 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.712 5.731 -0.527 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.787 6.023 0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.279 7.610 2.791 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.968 7.095 2.736 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.495 7.777 -3.570 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.562 8.835 -3.287 1.00 0.00 C ATOM 1223 C TYR A 73 -4.611 9.184 -4.408 1.00 0.00 C ATOM 1224 O TYR A 73 -3.986 10.242 -4.350 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.862 8.661 -1.947 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.765 8.970 -0.799 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.705 8.061 -0.376 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.706 10.196 -0.162 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -7.559 8.353 0.644 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -6.569 10.502 0.859 1.00 0.00 C ATOM 1231 CZ TYR A 73 -7.493 9.571 1.260 1.00 0.00 C ATOM 1232 OH TYR A 73 -8.391 9.874 2.254 1.00 0.00 O ATOM 0 H TYR A 73 -6.126 6.838 -3.420 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.193 9.720 -3.204 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.500 7.637 -1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.989 9.312 -1.907 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.768 7.098 -0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.970 10.923 -0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.287 7.623 0.965 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.522 11.467 1.343 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.987 9.110 2.400 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.475 8.338 -5.436 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.653 8.739 -6.584 1.00 0.00 C ATOM 1244 C TYR A 74 -4.346 9.936 -7.237 1.00 0.00 C ATOM 1245 O TYR A 74 -3.703 10.845 -7.772 1.00 0.00 O ATOM 1246 CB TYR A 74 -3.422 7.570 -7.614 1.00 0.00 C ATOM 1247 CG TYR A 74 -4.246 7.633 -8.908 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -5.499 7.065 -8.997 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -3.755 8.287 -10.027 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -6.245 7.151 -10.154 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -4.489 8.374 -11.187 1.00 0.00 C ATOM 1252 CZ TYR A 74 -5.736 7.809 -11.245 1.00 0.00 C ATOM 1253 OH TYR A 74 -6.488 7.909 -12.401 1.00 0.00 O ATOM 0 H TYR A 74 -4.901 7.413 -5.499 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.654 9.007 -6.240 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.365 7.553 -7.881 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.640 6.626 -7.115 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.905 6.542 -8.144 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.775 8.738 -9.987 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.226 6.702 -10.201 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.084 8.885 -12.048 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.983 8.406 -13.078 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.677 9.932 -7.136 1.00 0.00 N ATOM 1264 CA LYS A 75 -6.508 11.007 -7.638 1.00 0.00 C ATOM 1265 C LYS A 75 -6.328 12.255 -6.775 1.00 0.00 C ATOM 1266 O LYS A 75 -6.159 13.358 -7.281 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.982 10.602 -7.569 1.00 0.00 C ATOM 1268 CG LYS A 75 -8.326 9.297 -8.247 1.00 0.00 C ATOM 1269 CD LYS A 75 -9.788 8.974 -8.051 1.00 0.00 C ATOM 1270 CE LYS A 75 -10.175 7.632 -8.643 1.00 0.00 C ATOM 1271 NZ LYS A 75 -11.627 7.373 -8.490 1.00 0.00 N ATOM 0 H LYS A 75 -6.203 9.175 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.215 11.212 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.275 10.536 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.581 11.394 -8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.100 9.362 -9.311 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.711 8.494 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.017 8.976 -6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.393 9.757 -8.508 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.909 7.608 -9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.609 6.840 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.860 6.448 -8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.875 7.372 -7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.166 8.117 -8.978 1.00 0.00 H new ATOM 1285 N LYS A 76 -6.366 12.054 -5.470 1.00 0.00 N ATOM 1286 CA LYS A 76 -6.341 13.151 -4.514 1.00 0.00 C ATOM 1287 C LYS A 76 -4.958 13.772 -4.319 1.00 0.00 C ATOM 1288 O LYS A 76 -4.814 14.988 -4.396 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.913 12.708 -3.159 1.00 0.00 C ATOM 1290 CG LYS A 76 -8.389 12.311 -3.200 1.00 0.00 C ATOM 1291 CD LYS A 76 -8.912 11.845 -1.835 1.00 0.00 C ATOM 1292 CE LYS A 76 -8.814 12.932 -0.756 1.00 0.00 C ATOM 1293 NZ LYS A 76 -9.570 14.155 -1.103 1.00 0.00 N ATOM 0 H LYS A 76 -6.415 11.129 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.971 13.929 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.331 11.863 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.786 13.519 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.981 13.160 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.527 11.513 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.952 11.534 -1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.347 10.970 -1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.188 12.535 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.766 13.190 -0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.553 14.814 -0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.135 14.609 -1.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.555 13.903 -1.324 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.951 12.953 -4.066 1.00 0.00 N ATOM 1308 CA ILE A 77 -2.631 13.489 -3.746 1.00 0.00 C ATOM 1309 C ILE A 77 -1.535 13.028 -4.709 1.00 0.00 C ATOM 1310 O ILE A 77 -0.570 13.757 -4.930 1.00 0.00 O ATOM 1311 CB ILE A 77 -2.208 13.185 -2.271 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -2.209 11.671 -1.991 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -3.122 13.916 -1.292 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.768 11.295 -0.588 1.00 0.00 C ATOM 0 H ILE A 77 -4.014 11.935 -4.074 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.734 14.568 -3.864 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.190 13.548 -2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.213 11.283 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.553 11.180 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.813 13.693 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.056 14.990 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.151 13.587 -1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.798 10.211 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.751 11.650 -0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.438 11.754 0.139 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.684 11.847 -5.273 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.685 11.331 -6.191 1.00 0.00 C ATOM 1328 C GLY A 78 -0.183 9.979 -5.735 1.00 0.00 C ATOM 1329 O GLY A 78 -0.055 9.746 -4.528 1.00 0.00 O ATOM 0 H GLY A 78 -2.480 11.229 -5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.112 11.247 -7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.149 12.030 -6.258 1.00 0.00 H new ATOM 1333 N ILE A 79 0.122 9.101 -6.679 1.00 0.00 N ATOM 1334 CA ILE A 79 0.520 7.726 -6.369 1.00 0.00 C ATOM 1335 C ILE A 79 1.825 7.670 -5.553 1.00 0.00 C ATOM 1336 O ILE A 79 1.914 6.894 -4.603 1.00 0.00 O ATOM 1337 CB ILE A 79 0.607 6.812 -7.657 1.00 0.00 C ATOM 1338 CG1 ILE A 79 0.886 5.344 -7.285 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.668 7.304 -8.641 1.00 0.00 C ATOM 1340 CD1 ILE A 79 -0.205 4.694 -6.458 1.00 0.00 C ATOM 0 H ILE A 79 0.103 9.314 -7.676 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.274 7.317 -5.744 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.365 6.875 -8.145 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.024 4.769 -8.201 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.824 5.293 -6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.692 6.646 -9.510 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.426 8.318 -8.960 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.644 7.300 -8.156 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.070 3.662 -6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.329 5.242 -5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.142 4.710 -7.015 1.00 0.00 H new ATOM 1352 N GLU A 80 2.791 8.537 -5.876 1.00 0.00 N ATOM 1353 CA GLU A 80 4.072 8.553 -5.168 1.00 0.00 C ATOM 1354 C GLU A 80 3.901 8.898 -3.703 1.00 0.00 C ATOM 1355 O GLU A 80 4.616 8.381 -2.832 1.00 0.00 O ATOM 1356 CB GLU A 80 5.053 9.523 -5.787 1.00 0.00 C ATOM 1357 CG GLU A 80 5.603 9.117 -7.135 1.00 0.00 C ATOM 1358 CD GLU A 80 6.714 10.032 -7.561 1.00 0.00 C ATOM 1359 OE1 GLU A 80 7.853 9.872 -7.061 1.00 0.00 O ATOM 1360 OE2 GLU A 80 6.475 10.955 -8.370 1.00 0.00 O ATOM 0 H GLU A 80 2.710 9.232 -6.618 1.00 0.00 H new ATOM 0 HA GLU A 80 4.471 7.543 -5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.564 10.492 -5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.887 9.658 -5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.970 8.092 -7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.806 9.137 -7.878 1.00 0.00 H new ATOM 1367 N ASN A 81 2.971 9.779 -3.438 1.00 0.00 N ATOM 1368 CA ASN A 81 2.655 10.185 -2.078 1.00 0.00 C ATOM 1369 C ASN A 81 2.084 9.016 -1.321 1.00 0.00 C ATOM 1370 O ASN A 81 2.539 8.688 -0.227 1.00 0.00 O ATOM 1371 CB ASN A 81 1.650 11.345 -2.058 1.00 0.00 C ATOM 1372 CG ASN A 81 2.210 12.643 -2.590 1.00 0.00 C ATOM 1373 OD1 ASN A 81 2.169 12.908 -3.792 1.00 0.00 O ATOM 1374 ND2 ASN A 81 2.713 13.471 -1.709 1.00 0.00 N ATOM 0 H ASN A 81 2.408 10.239 -4.153 1.00 0.00 H new ATOM 0 HA ASN A 81 3.577 10.524 -1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.777 11.067 -2.648 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.307 11.500 -1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.088 14.370 -2.010 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.730 13.217 -0.721 1.00 0.00 H new ATOM 1381 N VAL A 82 1.123 8.349 -1.941 1.00 0.00 N ATOM 1382 CA VAL A 82 0.438 7.228 -1.317 1.00 0.00 C ATOM 1383 C VAL A 82 1.413 6.077 -1.072 1.00 0.00 C ATOM 1384 O VAL A 82 1.452 5.516 0.015 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.749 6.725 -2.172 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.569 5.709 -1.394 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.625 7.875 -2.596 1.00 0.00 C ATOM 0 H VAL A 82 0.798 8.567 -2.883 1.00 0.00 H new ATOM 0 HA VAL A 82 0.042 7.584 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.346 6.246 -3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.400 5.365 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.939 4.860 -1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.957 6.172 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.454 7.499 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.016 8.379 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.040 8.580 -3.187 1.00 0.00 H new ATOM 1397 N ASN A 83 2.223 5.792 -2.083 1.00 0.00 N ATOM 1398 CA ASN A 83 3.252 4.732 -2.061 1.00 0.00 C ATOM 1399 C ASN A 83 4.131 4.873 -0.806 1.00 0.00 C ATOM 1400 O ASN A 83 4.284 3.936 -0.015 1.00 0.00 O ATOM 1401 CB ASN A 83 4.110 4.885 -3.354 1.00 0.00 C ATOM 1402 CG ASN A 83 5.228 3.856 -3.569 1.00 0.00 C ATOM 1403 OD1 ASN A 83 5.827 3.327 -2.634 1.00 0.00 O ATOM 1404 ND2 ASN A 83 5.564 3.622 -4.812 1.00 0.00 N ATOM 0 H ASN A 83 2.191 6.298 -2.968 1.00 0.00 H new ATOM 0 HA ASN A 83 2.790 3.745 -2.030 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.440 4.843 -4.213 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.559 5.878 -3.348 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.337 2.990 -5.021 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.053 4.072 -5.572 1.00 0.00 H new ATOM 1411 N GLN A 84 4.610 6.071 -0.592 1.00 0.00 N ATOM 1412 CA GLN A 84 5.487 6.379 0.522 1.00 0.00 C ATOM 1413 C GLN A 84 4.701 6.260 1.850 1.00 0.00 C ATOM 1414 O GLN A 84 5.185 5.673 2.831 1.00 0.00 O ATOM 1415 CB GLN A 84 6.032 7.807 0.338 1.00 0.00 C ATOM 1416 CG GLN A 84 7.375 8.137 1.019 1.00 0.00 C ATOM 1417 CD GLN A 84 7.385 8.000 2.526 1.00 0.00 C ATOM 1418 OE1 GLN A 84 7.060 8.937 3.250 1.00 0.00 O ATOM 1419 NE2 GLN A 84 7.805 6.861 3.008 1.00 0.00 N ATOM 0 H GLN A 84 4.404 6.872 -1.189 1.00 0.00 H new ATOM 0 HA GLN A 84 6.320 5.677 0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.139 7.993 -0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.283 8.506 0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.144 7.484 0.606 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.653 9.159 0.761 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.066 6.105 2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.872 6.728 4.017 1.00 0.00 H new ATOM 1428 N LEU A 85 3.488 6.778 1.867 1.00 0.00 N ATOM 1429 CA LEU A 85 2.668 6.761 3.071 1.00 0.00 C ATOM 1430 C LEU A 85 2.297 5.337 3.494 1.00 0.00 C ATOM 1431 O LEU A 85 2.248 5.039 4.693 1.00 0.00 O ATOM 1432 CB LEU A 85 1.428 7.650 2.919 1.00 0.00 C ATOM 1433 CG LEU A 85 1.710 9.134 2.636 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.421 9.926 2.543 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.636 9.728 3.690 1.00 0.00 C ATOM 0 H LEU A 85 3.044 7.218 1.061 1.00 0.00 H new ATOM 0 HA LEU A 85 3.273 7.180 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.815 7.254 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.836 7.578 3.832 1.00 0.00 H new ATOM 0 HG LEU A 85 2.214 9.197 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.651 10.972 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.193 9.528 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.123 9.848 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.818 10.779 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.171 9.643 4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.583 9.188 3.689 1.00 0.00 H new ATOM 1447 N ILE A 86 2.077 4.462 2.522 1.00 0.00 N ATOM 1448 CA ILE A 86 1.787 3.055 2.803 1.00 0.00 C ATOM 1449 C ILE A 86 3.011 2.405 3.456 1.00 0.00 C ATOM 1450 O ILE A 86 2.890 1.691 4.461 1.00 0.00 O ATOM 1451 CB ILE A 86 1.379 2.261 1.514 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.108 2.853 0.866 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.189 0.770 1.804 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.113 2.903 1.775 1.00 0.00 C ATOM 0 H ILE A 86 2.093 4.698 1.530 1.00 0.00 H new ATOM 0 HA ILE A 86 0.935 3.020 3.482 1.00 0.00 H new ATOM 0 HB ILE A 86 2.201 2.362 0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.330 3.864 0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.139 2.265 -0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.907 0.254 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.121 0.352 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.404 0.641 2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.954 3.334 1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.368 1.894 2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.892 3.518 2.648 1.00 0.00 H new ATOM 1466 N LEU A 87 4.188 2.712 2.920 1.00 0.00 N ATOM 1467 CA LEU A 87 5.444 2.197 3.461 1.00 0.00 C ATOM 1468 C LEU A 87 5.654 2.677 4.891 1.00 0.00 C ATOM 1469 O LEU A 87 6.034 1.909 5.756 1.00 0.00 O ATOM 1470 CB LEU A 87 6.632 2.601 2.577 1.00 0.00 C ATOM 1471 CG LEU A 87 6.647 2.015 1.162 1.00 0.00 C ATOM 1472 CD1 LEU A 87 7.860 2.508 0.390 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.644 0.497 1.215 1.00 0.00 C ATOM 0 H LEU A 87 4.300 3.318 2.107 1.00 0.00 H new ATOM 0 HA LEU A 87 5.383 1.109 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.648 3.688 2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.552 2.304 3.081 1.00 0.00 H new ATOM 0 HG LEU A 87 5.747 2.350 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.852 2.080 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.830 3.595 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.769 2.203 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.655 0.098 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.527 0.150 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.748 0.153 1.731 1.00 0.00 H new ATOM 1485 N THR A 88 5.351 3.935 5.119 1.00 0.00 N ATOM 1486 CA THR A 88 5.452 4.573 6.429 1.00 0.00 C ATOM 1487 C THR A 88 4.487 3.896 7.450 1.00 0.00 C ATOM 1488 O THR A 88 4.742 3.857 8.660 1.00 0.00 O ATOM 1489 CB THR A 88 5.145 6.090 6.307 1.00 0.00 C ATOM 1490 OG1 THR A 88 5.986 6.664 5.285 1.00 0.00 O ATOM 1491 CG2 THR A 88 5.419 6.813 7.615 1.00 0.00 C ATOM 0 H THR A 88 5.019 4.564 4.388 1.00 0.00 H new ATOM 0 HA THR A 88 6.470 4.451 6.798 1.00 0.00 H new ATOM 0 HB THR A 88 4.091 6.203 6.054 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.629 6.436 4.401 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.195 7.873 7.499 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.791 6.394 8.401 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.468 6.691 7.885 1.00 0.00 H new ATOM 1499 N THR A 89 3.375 3.423 6.946 1.00 0.00 N ATOM 1500 CA THR A 89 2.363 2.770 7.738 1.00 0.00 C ATOM 1501 C THR A 89 2.826 1.392 8.259 1.00 0.00 C ATOM 1502 O THR A 89 2.618 1.058 9.441 1.00 0.00 O ATOM 1503 CB THR A 89 1.080 2.651 6.902 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.644 3.970 6.571 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.027 1.929 7.637 1.00 0.00 C ATOM 0 H THR A 89 3.143 3.482 5.954 1.00 0.00 H new ATOM 0 HA THR A 89 2.168 3.375 8.623 1.00 0.00 H new ATOM 0 HB THR A 89 1.306 2.066 6.010 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.246 4.355 5.900 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.910 1.873 7.001 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.302 0.921 7.891 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.272 2.472 8.550 1.00 0.00 H new ATOM 1513 N ILE A 90 3.453 0.609 7.406 1.00 0.00 N ATOM 1514 CA ILE A 90 3.907 -0.708 7.816 1.00 0.00 C ATOM 1515 C ILE A 90 5.273 -0.644 8.489 1.00 0.00 C ATOM 1516 O ILE A 90 5.504 -1.286 9.518 1.00 0.00 O ATOM 1517 CB ILE A 90 3.925 -1.738 6.653 1.00 0.00 C ATOM 1518 CG1 ILE A 90 4.780 -1.238 5.473 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.503 -2.033 6.204 1.00 0.00 C ATOM 1520 CD1 ILE A 90 4.994 -2.262 4.385 1.00 0.00 C ATOM 0 H ILE A 90 3.659 0.854 6.438 1.00 0.00 H new ATOM 0 HA ILE A 90 3.174 -1.060 8.542 1.00 0.00 H new ATOM 0 HB ILE A 90 4.380 -2.659 7.016 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.303 -0.359 5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.751 -0.919 5.852 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.522 -2.756 5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.935 -2.443 7.039 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.031 -1.112 5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.605 -1.829 3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.501 -3.133 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.030 -2.564 3.975 1.00 0.00 H new