USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 439 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 28 SER OG : rot 107:sc= 1.01 USER MOD Set 1.2: A 62 GLN : amide:sc= 0.23 K(o=1.2,f=0.079) USER MOD Single : A 5 THR OG1 : rot -38:sc= -0.155 USER MOD Single : A 8 GLN : amide:sc= -7.61! C(o=-7.6!,f=-11!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.35! K(o=-2.3!,f=-1.1) USER MOD Single : A 24 ASN : amide:sc= -9.37! C(o=-9.4!,f=-12!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0278! USER MOD Single : A 30 SER OG : rot 180:sc= -0.323 USER MOD Single : A 34 THR OG1 : rot -23:sc= -3.68! USER MOD Single : A 44 SER OG : rot 22:sc= 0.867 USER MOD Single : A 49 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.044) USER MOD Single : A 52 MET CE :methyl -126:sc= -14.7! (180deg=-19.4!) USER MOD Single : A 53 ASN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 60 ASN : amide:sc= -7.95! C(o=-8!,f=-15!) USER MOD Single : A 61 HIS : no HD1:sc= -1.63! C(o=-1.6!,f=-2.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.098 USER MOD Single : A 72 MET CE :methyl -177:sc= -0.0687 (180deg=-0.1) USER MOD ----------------------------------------------------------------- ATOM 39 N LEU A 4 -16.480 0.159 -18.378 1.00 0.00 N ATOM 40 CA LEU A 4 -15.450 0.083 -17.304 1.00 0.00 C ATOM 41 C LEU A 4 -16.099 -0.337 -15.979 1.00 0.00 C ATOM 42 O LEU A 4 -16.432 -1.490 -15.786 1.00 0.00 O ATOM 43 CB LEU A 4 -14.871 1.497 -17.213 1.00 0.00 C ATOM 44 CG LEU A 4 -13.814 1.687 -18.302 1.00 0.00 C ATOM 45 CD1 LEU A 4 -14.501 1.828 -19.662 1.00 0.00 C ATOM 46 CD2 LEU A 4 -13.004 2.952 -18.008 1.00 0.00 C ATOM 0 HA LEU A 4 -14.676 -0.654 -17.517 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.665 2.235 -17.329 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.428 1.658 -16.230 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.150 0.823 -18.319 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.748 1.963 -20.438 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -15.080 0.929 -19.872 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.165 2.692 -19.646 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.250 3.089 -18.783 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.670 3.815 -17.992 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.515 2.854 -17.039 1.00 0.00 H new ATOM 58 N THR A 5 -16.290 0.579 -15.068 1.00 0.00 N ATOM 59 CA THR A 5 -16.925 0.213 -13.767 1.00 0.00 C ATOM 60 C THR A 5 -16.209 -0.991 -13.149 1.00 0.00 C ATOM 61 O THR A 5 -15.017 -1.165 -13.305 1.00 0.00 O ATOM 62 CB THR A 5 -18.375 -0.146 -14.111 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.430 -1.485 -14.582 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.906 0.800 -15.193 1.00 0.00 C ATOM 0 H THR A 5 -16.035 1.562 -15.167 1.00 0.00 H new ATOM 0 HA THR A 5 -16.869 1.025 -13.042 1.00 0.00 H new ATOM 0 HB THR A 5 -18.991 -0.046 -13.217 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.639 -1.672 -15.129 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.937 0.538 -15.431 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.867 1.827 -14.829 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.292 0.709 -16.089 1.00 0.00 H new ATOM 72 N GLU A 6 -16.930 -1.824 -12.449 1.00 0.00 N ATOM 73 CA GLU A 6 -16.296 -3.019 -11.821 1.00 0.00 C ATOM 74 C GLU A 6 -15.301 -3.661 -12.791 1.00 0.00 C ATOM 75 O GLU A 6 -14.285 -4.195 -12.394 1.00 0.00 O ATOM 76 CB GLU A 6 -17.456 -3.970 -11.530 1.00 0.00 C ATOM 77 CG GLU A 6 -17.931 -4.618 -12.832 1.00 0.00 C ATOM 78 CD GLU A 6 -19.078 -5.586 -12.533 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.796 -6.698 -12.119 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.219 -5.197 -12.724 1.00 0.00 O ATOM 0 H GLU A 6 -17.932 -1.729 -12.284 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.738 -2.768 -10.919 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.141 -4.738 -10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.277 -3.426 -11.063 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.262 -3.851 -13.532 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.107 -5.150 -13.307 1.00 0.00 H new ATOM 87 N GLU A 7 -15.587 -3.606 -14.062 1.00 0.00 N ATOM 88 CA GLU A 7 -14.659 -4.205 -15.061 1.00 0.00 C ATOM 89 C GLU A 7 -13.333 -3.447 -15.043 1.00 0.00 C ATOM 90 O GLU A 7 -12.270 -4.033 -14.970 1.00 0.00 O ATOM 91 CB GLU A 7 -15.361 -4.034 -16.409 1.00 0.00 C ATOM 92 CG GLU A 7 -15.560 -5.406 -17.059 1.00 0.00 C ATOM 93 CD GLU A 7 -14.296 -5.795 -17.827 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.067 -5.225 -18.880 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.578 -6.658 -17.348 1.00 0.00 O ATOM 0 H GLU A 7 -16.424 -3.172 -14.452 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.437 -5.252 -14.855 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.324 -3.543 -16.270 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.768 -3.393 -17.061 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.779 -6.153 -16.296 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.415 -5.380 -17.734 1.00 0.00 H new ATOM 102 N GLN A 8 -13.387 -2.145 -15.090 1.00 0.00 N ATOM 103 CA GLN A 8 -12.127 -1.354 -15.058 1.00 0.00 C ATOM 104 C GLN A 8 -11.504 -1.469 -13.666 1.00 0.00 C ATOM 105 O GLN A 8 -10.326 -1.721 -13.519 1.00 0.00 O ATOM 106 CB GLN A 8 -12.544 0.092 -15.384 1.00 0.00 C ATOM 107 CG GLN A 8 -12.857 0.872 -14.100 1.00 0.00 C ATOM 108 CD GLN A 8 -13.097 2.343 -14.443 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.390 2.915 -15.250 1.00 0.00 O ATOM 110 NE2 GLN A 8 -14.071 2.987 -13.860 1.00 0.00 N ATOM 0 H GLN A 8 -14.245 -1.597 -15.149 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.380 -1.704 -15.770 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.745 0.591 -15.932 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.420 0.085 -16.033 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.737 0.453 -13.613 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.030 0.782 -13.396 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.665 2.509 -13.183 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.238 3.969 -14.082 1.00 0.00 H new ATOM 119 N ILE A 9 -12.298 -1.303 -12.644 1.00 0.00 N ATOM 120 CA ILE A 9 -11.770 -1.417 -11.259 1.00 0.00 C ATOM 121 C ILE A 9 -11.053 -2.755 -11.088 1.00 0.00 C ATOM 122 O ILE A 9 -9.867 -2.806 -10.843 1.00 0.00 O ATOM 123 CB ILE A 9 -13.003 -1.364 -10.362 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.724 -0.029 -10.560 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.572 -1.503 -8.902 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.198 -0.189 -10.188 1.00 0.00 C ATOM 0 H ILE A 9 -13.294 -1.092 -12.711 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.055 -0.630 -11.020 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.679 -2.179 -10.622 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.263 0.741 -9.942 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.632 0.297 -11.596 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.451 -1.466 -8.258 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.060 -2.455 -8.763 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.897 -0.687 -8.643 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.714 0.761 -10.328 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.654 -0.947 -10.825 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.279 -0.495 -9.145 1.00 0.00 H new ATOM 138 N ALA A 10 -11.768 -3.840 -11.219 1.00 0.00 N ATOM 139 CA ALA A 10 -11.123 -5.176 -11.065 1.00 0.00 C ATOM 140 C ALA A 10 -9.774 -5.186 -11.788 1.00 0.00 C ATOM 141 O ALA A 10 -8.766 -5.597 -11.243 1.00 0.00 O ATOM 142 CB ALA A 10 -12.091 -6.164 -11.717 1.00 0.00 C ATOM 0 H ALA A 10 -12.767 -3.859 -11.425 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.931 -5.429 -10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.685 -7.173 -11.644 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.053 -6.122 -11.206 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.226 -5.902 -12.767 1.00 0.00 H new ATOM 148 N GLU A 11 -9.746 -4.723 -13.008 1.00 0.00 N ATOM 149 CA GLU A 11 -8.460 -4.694 -13.761 1.00 0.00 C ATOM 150 C GLU A 11 -7.469 -3.781 -13.039 1.00 0.00 C ATOM 151 O GLU A 11 -6.319 -4.123 -12.838 1.00 0.00 O ATOM 152 CB GLU A 11 -8.815 -4.125 -15.134 1.00 0.00 C ATOM 153 CG GLU A 11 -8.262 -5.044 -16.227 1.00 0.00 C ATOM 154 CD GLU A 11 -6.772 -4.762 -16.425 1.00 0.00 C ATOM 155 OE1 GLU A 11 -6.113 -4.450 -15.447 1.00 0.00 O ATOM 156 OE2 GLU A 11 -6.315 -4.864 -17.552 1.00 0.00 O ATOM 0 H GLU A 11 -10.555 -4.365 -13.515 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.997 -5.678 -13.843 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.897 -4.035 -15.233 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.400 -3.123 -15.242 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.412 -6.087 -15.950 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.801 -4.882 -17.160 1.00 0.00 H new ATOM 163 N PHE A 12 -7.914 -2.624 -12.634 1.00 0.00 N ATOM 164 CA PHE A 12 -7.012 -1.688 -11.911 1.00 0.00 C ATOM 165 C PHE A 12 -6.476 -2.368 -10.650 1.00 0.00 C ATOM 166 O PHE A 12 -5.287 -2.387 -10.400 1.00 0.00 O ATOM 167 CB PHE A 12 -7.894 -0.490 -11.556 1.00 0.00 C ATOM 168 CG PHE A 12 -8.159 0.319 -12.803 1.00 0.00 C ATOM 169 CD1 PHE A 12 -7.091 0.722 -13.614 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.471 0.668 -13.150 1.00 0.00 C ATOM 171 CE1 PHE A 12 -7.334 1.472 -14.771 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.712 1.419 -14.307 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.644 1.821 -15.118 1.00 0.00 C ATOM 0 H PHE A 12 -8.866 -2.287 -12.774 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.148 -1.386 -12.503 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.834 -0.831 -11.123 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.403 0.128 -10.805 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.079 0.454 -13.347 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.296 0.358 -12.525 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.510 1.782 -15.396 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.723 1.688 -14.574 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.831 2.400 -16.010 1.00 0.00 H new ATOM 183 N LYS A 13 -7.346 -2.940 -9.862 1.00 0.00 N ATOM 184 CA LYS A 13 -6.890 -3.635 -8.626 1.00 0.00 C ATOM 185 C LYS A 13 -5.649 -4.466 -8.942 1.00 0.00 C ATOM 186 O LYS A 13 -4.614 -4.316 -8.322 1.00 0.00 O ATOM 187 CB LYS A 13 -8.056 -4.541 -8.224 1.00 0.00 C ATOM 188 CG LYS A 13 -9.180 -3.694 -7.624 1.00 0.00 C ATOM 189 CD LYS A 13 -10.265 -4.613 -7.061 1.00 0.00 C ATOM 190 CE LYS A 13 -11.142 -3.829 -6.081 1.00 0.00 C ATOM 191 NZ LYS A 13 -10.736 -4.312 -4.732 1.00 0.00 N ATOM 0 H LYS A 13 -8.353 -2.956 -10.022 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.626 -2.943 -7.826 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.422 -5.087 -9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.720 -5.283 -7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.786 -3.053 -6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.602 -3.039 -8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.875 -5.012 -7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.809 -5.465 -6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.983 -2.755 -6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.201 -4.013 -6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.294 -3.820 -4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.905 -5.336 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.725 -4.117 -4.583 1.00 0.00 H new ATOM 205 N GLU A 14 -5.738 -5.332 -9.915 1.00 0.00 N ATOM 206 CA GLU A 14 -4.552 -6.154 -10.278 1.00 0.00 C ATOM 207 C GLU A 14 -3.344 -5.238 -10.475 1.00 0.00 C ATOM 208 O GLU A 14 -2.253 -5.519 -10.016 1.00 0.00 O ATOM 209 CB GLU A 14 -4.930 -6.842 -11.590 1.00 0.00 C ATOM 210 CG GLU A 14 -3.955 -7.990 -11.864 1.00 0.00 C ATOM 211 CD GLU A 14 -4.318 -9.190 -10.987 1.00 0.00 C ATOM 212 OE1 GLU A 14 -4.076 -9.121 -9.794 1.00 0.00 O ATOM 213 OE2 GLU A 14 -4.830 -10.157 -11.525 1.00 0.00 O ATOM 0 H GLU A 14 -6.576 -5.504 -10.470 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.289 -6.880 -9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.950 -7.223 -11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.903 -6.124 -12.410 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.994 -8.271 -12.917 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.934 -7.671 -11.657 1.00 0.00 H new ATOM 220 N ALA A 15 -3.536 -4.134 -11.146 1.00 0.00 N ATOM 221 CA ALA A 15 -2.404 -3.190 -11.364 1.00 0.00 C ATOM 222 C ALA A 15 -1.994 -2.555 -10.033 1.00 0.00 C ATOM 223 O ALA A 15 -0.831 -2.519 -9.685 1.00 0.00 O ATOM 224 CB ALA A 15 -2.947 -2.126 -12.319 1.00 0.00 C ATOM 0 H ALA A 15 -4.426 -3.846 -11.552 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.523 -3.686 -11.771 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.168 -1.393 -12.528 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.259 -2.598 -13.250 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.801 -1.628 -11.861 1.00 0.00 H new ATOM 230 N PHE A 16 -2.942 -2.059 -9.282 1.00 0.00 N ATOM 231 CA PHE A 16 -2.599 -1.435 -7.973 1.00 0.00 C ATOM 232 C PHE A 16 -1.676 -2.364 -7.184 1.00 0.00 C ATOM 233 O PHE A 16 -0.529 -2.050 -6.934 1.00 0.00 O ATOM 234 CB PHE A 16 -3.928 -1.265 -7.239 1.00 0.00 C ATOM 235 CG PHE A 16 -3.652 -0.864 -5.809 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.352 0.469 -5.501 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.685 -1.827 -4.793 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.088 0.839 -4.177 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.422 -1.456 -3.469 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.123 -0.124 -3.161 1.00 0.00 C ATOM 0 H PHE A 16 -3.934 -2.059 -9.518 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.083 -0.483 -8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.536 -0.507 -7.732 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.495 -2.196 -7.266 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.324 1.211 -6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.913 -2.855 -5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.857 1.867 -3.939 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.450 -2.198 -2.685 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.919 0.161 -2.139 1.00 0.00 H new ATOM 250 N ALA A 17 -2.169 -3.509 -6.794 1.00 0.00 N ATOM 251 CA ALA A 17 -1.319 -4.459 -6.025 1.00 0.00 C ATOM 252 C ALA A 17 0.072 -4.534 -6.656 1.00 0.00 C ATOM 253 O ALA A 17 1.077 -4.425 -5.982 1.00 0.00 O ATOM 254 CB ALA A 17 -2.032 -5.807 -6.131 1.00 0.00 C ATOM 0 H ALA A 17 -3.122 -3.826 -6.975 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.186 -4.155 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.465 -6.562 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.031 -5.725 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.110 -6.096 -7.179 1.00 0.00 H new ATOM 260 N LEU A 18 0.140 -4.709 -7.950 1.00 0.00 N ATOM 261 CA LEU A 18 1.469 -4.778 -8.619 1.00 0.00 C ATOM 262 C LEU A 18 2.375 -3.674 -8.071 1.00 0.00 C ATOM 263 O LEU A 18 3.535 -3.893 -7.784 1.00 0.00 O ATOM 264 CB LEU A 18 1.180 -4.553 -10.103 1.00 0.00 C ATOM 265 CG LEU A 18 2.111 -5.428 -10.943 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.452 -6.786 -11.190 1.00 0.00 C ATOM 267 CD2 LEU A 18 2.382 -4.742 -12.284 1.00 0.00 C ATOM 0 H LEU A 18 -0.665 -4.807 -8.569 1.00 0.00 H new ATOM 0 HA LEU A 18 1.976 -5.728 -8.449 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.140 -4.795 -10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.323 -3.503 -10.357 1.00 0.00 H new ATOM 0 HG LEU A 18 3.051 -5.573 -10.411 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.116 -7.409 -11.789 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.258 -7.275 -10.235 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.511 -6.643 -11.722 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.046 -5.365 -12.884 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.441 -4.598 -12.815 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.852 -3.774 -12.109 1.00 0.00 H new ATOM 279 N PHE A 19 1.848 -2.490 -7.915 1.00 0.00 N ATOM 280 CA PHE A 19 2.671 -1.372 -7.375 1.00 0.00 C ATOM 281 C PHE A 19 2.975 -1.625 -5.896 1.00 0.00 C ATOM 282 O PHE A 19 4.108 -1.560 -5.463 1.00 0.00 O ATOM 283 CB PHE A 19 1.805 -0.122 -7.537 1.00 0.00 C ATOM 284 CG PHE A 19 1.408 0.036 -8.986 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.314 -0.296 -10.001 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.136 0.519 -9.315 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.947 -0.146 -11.343 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.232 0.667 -10.657 1.00 0.00 C ATOM 289 CZ PHE A 19 0.674 0.336 -11.672 1.00 0.00 C ATOM 0 H PHE A 19 0.882 -2.249 -8.139 1.00 0.00 H new ATOM 0 HA PHE A 19 3.626 -1.270 -7.891 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.915 -0.200 -6.912 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.353 0.758 -7.202 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.296 -0.668 -9.748 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.562 0.778 -8.532 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.646 -0.402 -12.125 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.215 1.037 -10.910 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.391 0.452 -12.708 1.00 0.00 H new ATOM 299 N ASP A 20 1.966 -1.920 -5.121 1.00 0.00 N ATOM 300 CA ASP A 20 2.188 -2.185 -3.672 1.00 0.00 C ATOM 301 C ASP A 20 2.945 -3.505 -3.490 1.00 0.00 C ATOM 302 O ASP A 20 2.513 -4.545 -3.944 1.00 0.00 O ATOM 303 CB ASP A 20 0.787 -2.285 -3.068 1.00 0.00 C ATOM 304 CG ASP A 20 0.892 -2.649 -1.586 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.006 -2.776 -1.105 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.143 -2.794 -0.958 1.00 0.00 O ATOM 0 H ASP A 20 0.996 -1.989 -5.430 1.00 0.00 H new ATOM 0 HA ASP A 20 2.782 -1.406 -3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.262 -1.337 -3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.205 -3.039 -3.598 1.00 0.00 H new ATOM 311 N LYS A 21 4.071 -3.471 -2.833 1.00 0.00 N ATOM 312 CA LYS A 21 4.851 -4.726 -2.629 1.00 0.00 C ATOM 313 C LYS A 21 4.427 -5.409 -1.325 1.00 0.00 C ATOM 314 O LYS A 21 5.037 -6.365 -0.888 1.00 0.00 O ATOM 315 CB LYS A 21 6.310 -4.277 -2.552 1.00 0.00 C ATOM 316 CG LYS A 21 6.790 -3.867 -3.945 1.00 0.00 C ATOM 317 CD LYS A 21 7.611 -5.004 -4.557 1.00 0.00 C ATOM 318 CE LYS A 21 6.693 -5.910 -5.381 1.00 0.00 C ATOM 319 NZ LYS A 21 7.248 -7.281 -5.206 1.00 0.00 N ATOM 0 H LYS A 21 4.485 -2.631 -2.429 1.00 0.00 H new ATOM 0 HA LYS A 21 4.689 -5.448 -3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.408 -3.440 -1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.931 -5.085 -2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.936 -3.637 -4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.394 -2.962 -3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.401 -4.597 -5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.097 -5.580 -3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.663 -5.853 -5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.688 -5.617 -6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.671 -7.960 -5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.227 -7.306 -5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.234 -7.535 -4.198 1.00 0.00 H new ATOM 333 N ASP A 22 3.388 -4.926 -0.702 1.00 0.00 N ATOM 334 CA ASP A 22 2.928 -5.548 0.573 1.00 0.00 C ATOM 335 C ASP A 22 1.456 -5.959 0.461 1.00 0.00 C ATOM 336 O ASP A 22 0.936 -6.676 1.293 1.00 0.00 O ATOM 337 CB ASP A 22 3.099 -4.457 1.629 1.00 0.00 C ATOM 338 CG ASP A 22 4.478 -3.813 1.478 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.457 -4.540 1.514 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.532 -2.603 1.330 1.00 0.00 O ATOM 0 H ASP A 22 2.837 -4.128 -1.020 1.00 0.00 H new ATOM 0 HA ASP A 22 3.491 -6.448 0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.320 -3.703 1.518 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.992 -4.882 2.627 1.00 0.00 H new ATOM 345 N ASN A 23 0.783 -5.511 -0.564 1.00 0.00 N ATOM 346 CA ASN A 23 -0.655 -5.875 -0.733 1.00 0.00 C ATOM 347 C ASN A 23 -1.477 -5.345 0.445 1.00 0.00 C ATOM 348 O ASN A 23 -2.523 -5.872 0.768 1.00 0.00 O ATOM 349 CB ASN A 23 -0.690 -7.403 -0.753 1.00 0.00 C ATOM 350 CG ASN A 23 0.494 -7.942 -1.560 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.443 -7.997 -2.773 1.00 0.00 O ATOM 352 ND2 ASN A 23 1.565 -8.346 -0.934 1.00 0.00 N ATOM 0 H ASN A 23 1.166 -4.908 -1.292 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.077 -5.447 -1.642 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.653 -7.789 0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.627 -7.748 -1.191 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.359 -8.708 -1.463 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.609 -8.300 0.084 1.00 0.00 H new ATOM 359 N ASN A 24 -1.018 -4.306 1.086 1.00 0.00 N ATOM 360 CA ASN A 24 -1.781 -3.746 2.238 1.00 0.00 C ATOM 361 C ASN A 24 -2.832 -2.752 1.737 1.00 0.00 C ATOM 362 O ASN A 24 -3.271 -1.882 2.464 1.00 0.00 O ATOM 363 CB ASN A 24 -0.741 -3.031 3.101 1.00 0.00 C ATOM 364 CG ASN A 24 0.505 -3.907 3.241 1.00 0.00 C ATOM 365 OD1 ASN A 24 1.595 -3.406 3.433 1.00 0.00 O ATOM 366 ND2 ASN A 24 0.389 -5.204 3.151 1.00 0.00 N ATOM 0 H ASN A 24 -0.149 -3.821 0.863 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.308 -4.519 2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.476 -2.075 2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.158 -2.815 4.085 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.214 -5.797 3.242 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.526 -5.624 2.990 1.00 0.00 H new ATOM 373 N GLY A 25 -3.231 -2.867 0.501 1.00 0.00 N ATOM 374 CA GLY A 25 -4.245 -1.920 -0.043 1.00 0.00 C ATOM 375 C GLY A 25 -3.679 -0.502 0.009 1.00 0.00 C ATOM 376 O GLY A 25 -4.395 0.472 -0.126 1.00 0.00 O ATOM 0 H GLY A 25 -2.900 -3.574 -0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.497 -2.187 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.166 -1.980 0.538 1.00 0.00 H new ATOM 380 N SER A 26 -2.395 -0.380 0.206 1.00 0.00 N ATOM 381 CA SER A 26 -1.769 0.970 0.271 1.00 0.00 C ATOM 382 C SER A 26 -0.387 0.936 -0.385 1.00 0.00 C ATOM 383 O SER A 26 0.295 -0.069 -0.364 1.00 0.00 O ATOM 384 CB SER A 26 -1.650 1.274 1.764 1.00 0.00 C ATOM 385 OG SER A 26 -0.363 1.815 2.031 1.00 0.00 O ATOM 0 H SER A 26 -1.750 -1.161 0.325 1.00 0.00 H new ATOM 0 HA SER A 26 -2.351 1.728 -0.253 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.424 1.980 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.803 0.365 2.346 1.00 0.00 H new ATOM 0 HG SER A 26 -0.283 2.013 2.988 1.00 0.00 H new ATOM 391 N ILE A 27 0.031 2.023 -0.970 1.00 0.00 N ATOM 392 CA ILE A 27 1.367 2.045 -1.629 1.00 0.00 C ATOM 393 C ILE A 27 2.199 3.219 -1.108 1.00 0.00 C ATOM 394 O ILE A 27 1.676 4.264 -0.776 1.00 0.00 O ATOM 395 CB ILE A 27 1.068 2.221 -3.116 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.471 0.928 -3.671 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.360 2.549 -3.865 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.404 1.252 -4.881 1.00 0.00 C ATOM 0 H ILE A 27 -0.493 2.896 -1.021 1.00 0.00 H new ATOM 0 HA ILE A 27 1.940 1.139 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 27 0.357 3.037 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.267 0.241 -3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.121 0.429 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.144 2.674 -4.926 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.785 3.472 -3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.073 1.735 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.831 0.331 -5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.208 1.924 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.201 1.733 -5.650 1.00 0.00 H new ATOM 410 N SER A 28 3.491 3.055 -1.035 1.00 0.00 N ATOM 411 CA SER A 28 4.357 4.162 -0.537 1.00 0.00 C ATOM 412 C SER A 28 5.234 4.694 -1.674 1.00 0.00 C ATOM 413 O SER A 28 5.010 4.403 -2.832 1.00 0.00 O ATOM 414 CB SER A 28 5.220 3.529 0.554 1.00 0.00 C ATOM 415 OG SER A 28 5.286 4.408 1.669 1.00 0.00 O ATOM 0 H SER A 28 3.985 2.202 -1.299 1.00 0.00 H new ATOM 0 HA SER A 28 3.777 5.004 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.799 2.570 0.856 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.222 3.331 0.172 1.00 0.00 H new ATOM 0 HG SER A 28 4.737 4.052 2.399 1.00 0.00 H new ATOM 421 N SER A 29 6.229 5.473 -1.353 1.00 0.00 N ATOM 422 CA SER A 29 7.118 6.023 -2.417 1.00 0.00 C ATOM 423 C SER A 29 7.863 4.887 -3.124 1.00 0.00 C ATOM 424 O SER A 29 7.587 4.564 -4.261 1.00 0.00 O ATOM 425 CB SER A 29 8.101 6.931 -1.679 1.00 0.00 C ATOM 426 OG SER A 29 8.895 6.147 -0.799 1.00 0.00 O ATOM 0 H SER A 29 6.466 5.753 -0.401 1.00 0.00 H new ATOM 0 HA SER A 29 6.561 6.562 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.737 7.454 -2.393 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.559 7.692 -1.118 1.00 0.00 H new ATOM 0 HG SER A 29 9.528 6.726 -0.325 1.00 0.00 H new ATOM 432 N SER A 30 8.808 4.281 -2.459 1.00 0.00 N ATOM 433 CA SER A 30 9.573 3.168 -3.093 1.00 0.00 C ATOM 434 C SER A 30 8.616 2.077 -3.585 1.00 0.00 C ATOM 435 O SER A 30 8.721 1.603 -4.699 1.00 0.00 O ATOM 436 CB SER A 30 10.476 2.628 -1.986 1.00 0.00 C ATOM 437 OG SER A 30 9.674 2.041 -0.970 1.00 0.00 O ATOM 0 H SER A 30 9.084 4.508 -1.504 1.00 0.00 H new ATOM 0 HA SER A 30 10.144 3.502 -3.959 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.167 1.889 -2.392 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.080 3.433 -1.568 1.00 0.00 H new ATOM 0 HG SER A 30 10.251 1.692 -0.259 1.00 0.00 H new ATOM 443 N GLU A 31 7.687 1.673 -2.761 1.00 0.00 N ATOM 444 CA GLU A 31 6.727 0.611 -3.181 1.00 0.00 C ATOM 445 C GLU A 31 6.262 0.853 -4.619 1.00 0.00 C ATOM 446 O GLU A 31 6.565 0.090 -5.516 1.00 0.00 O ATOM 447 CB GLU A 31 5.553 0.733 -2.209 1.00 0.00 C ATOM 448 CG GLU A 31 5.561 -0.455 -1.246 1.00 0.00 C ATOM 449 CD GLU A 31 4.264 -0.466 -0.434 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.235 -0.792 -1.003 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.321 -0.147 0.742 1.00 0.00 O ATOM 0 H GLU A 31 7.551 2.032 -1.816 1.00 0.00 H new ATOM 0 HA GLU A 31 7.175 -0.382 -3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.625 1.667 -1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.613 0.762 -2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.661 -1.387 -1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.420 -0.389 -0.578 1.00 0.00 H new ATOM 458 N LEU A 32 5.528 1.908 -4.848 1.00 0.00 N ATOM 459 CA LEU A 32 5.045 2.194 -6.230 1.00 0.00 C ATOM 460 C LEU A 32 6.222 2.202 -7.210 1.00 0.00 C ATOM 461 O LEU A 32 6.106 1.758 -8.336 1.00 0.00 O ATOM 462 CB LEU A 32 4.405 3.581 -6.148 1.00 0.00 C ATOM 463 CG LEU A 32 2.981 3.520 -6.703 1.00 0.00 C ATOM 464 CD1 LEU A 32 2.285 4.862 -6.471 1.00 0.00 C ATOM 465 CD2 LEU A 32 3.031 3.226 -8.203 1.00 0.00 C ATOM 0 H LEU A 32 5.242 2.584 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 32 4.341 1.442 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.389 3.925 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.997 4.300 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 32 2.427 2.730 -6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.270 4.819 -6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.249 5.073 -5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.839 5.652 -6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.017 3.182 -8.599 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.585 4.016 -8.710 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.527 2.270 -8.370 1.00 0.00 H new ATOM 477 N ALA A 33 7.351 2.704 -6.793 1.00 0.00 N ATOM 478 CA ALA A 33 8.533 2.739 -7.701 1.00 0.00 C ATOM 479 C ALA A 33 9.126 1.337 -7.856 1.00 0.00 C ATOM 480 O ALA A 33 9.938 1.087 -8.724 1.00 0.00 O ATOM 481 CB ALA A 33 9.532 3.672 -7.016 1.00 0.00 C ATOM 0 H ALA A 33 7.507 3.092 -5.863 1.00 0.00 H new ATOM 0 HA ALA A 33 8.273 3.084 -8.702 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.433 3.751 -7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.086 4.660 -6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.790 3.272 -6.036 1.00 0.00 H new ATOM 487 N THR A 34 8.727 0.418 -7.019 1.00 0.00 N ATOM 488 CA THR A 34 9.269 -0.968 -7.120 1.00 0.00 C ATOM 489 C THR A 34 8.721 -1.661 -8.370 1.00 0.00 C ATOM 490 O THR A 34 9.313 -2.587 -8.888 1.00 0.00 O ATOM 491 CB THR A 34 8.781 -1.678 -5.856 1.00 0.00 C ATOM 492 OG1 THR A 34 8.635 -0.729 -4.808 1.00 0.00 O ATOM 493 CG2 THR A 34 9.798 -2.744 -5.443 1.00 0.00 C ATOM 0 H THR A 34 8.050 0.566 -6.271 1.00 0.00 H new ATOM 0 HA THR A 34 10.356 -0.981 -7.201 1.00 0.00 H new ATOM 0 HB THR A 34 7.820 -2.153 -6.053 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.202 0.049 -4.990 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.450 -3.250 -4.542 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.910 -3.471 -6.247 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.760 -2.272 -5.245 1.00 0.00 H new ATOM 501 N VAL A 35 7.595 -1.219 -8.859 1.00 0.00 N ATOM 502 CA VAL A 35 7.011 -1.853 -10.077 1.00 0.00 C ATOM 503 C VAL A 35 7.785 -1.416 -11.323 1.00 0.00 C ATOM 504 O VAL A 35 7.477 -1.814 -12.429 1.00 0.00 O ATOM 505 CB VAL A 35 5.570 -1.346 -10.136 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.563 0.129 -10.541 1.00 0.00 C ATOM 507 CG2 VAL A 35 4.785 -2.161 -11.166 1.00 0.00 C ATOM 0 H VAL A 35 7.054 -0.447 -8.469 1.00 0.00 H new ATOM 0 HA VAL A 35 7.059 -2.941 -10.039 1.00 0.00 H new ATOM 0 HB VAL A 35 5.107 -1.455 -9.155 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.535 0.490 -10.583 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.122 0.710 -9.808 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.027 0.239 -11.521 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.757 -1.800 -11.209 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.249 -2.052 -12.146 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.789 -3.212 -10.878 1.00 0.00 H new ATOM 639 N SER A 44 14.348 7.508 -8.897 1.00 0.00 N ATOM 640 CA SER A 44 14.819 8.566 -7.958 1.00 0.00 C ATOM 641 C SER A 44 13.646 9.110 -7.141 1.00 0.00 C ATOM 642 O SER A 44 12.577 9.348 -7.664 1.00 0.00 O ATOM 643 CB SER A 44 15.403 9.662 -8.850 1.00 0.00 C ATOM 644 OG SER A 44 15.611 9.144 -10.158 1.00 0.00 O ATOM 0 HA SER A 44 15.553 8.186 -7.247 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.726 10.515 -8.888 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.345 10.021 -8.435 1.00 0.00 H new ATOM 0 HG SER A 44 15.032 8.366 -10.298 1.00 0.00 H new ATOM 650 N GLU A 45 13.843 9.301 -5.860 1.00 0.00 N ATOM 651 CA GLU A 45 12.750 9.827 -4.985 1.00 0.00 C ATOM 652 C GLU A 45 11.879 10.830 -5.747 1.00 0.00 C ATOM 653 O GLU A 45 10.667 10.773 -5.699 1.00 0.00 O ATOM 654 CB GLU A 45 13.471 10.519 -3.828 1.00 0.00 C ATOM 655 CG GLU A 45 14.471 11.535 -4.384 1.00 0.00 C ATOM 656 CD GLU A 45 15.610 11.732 -3.382 1.00 0.00 C ATOM 657 OE1 GLU A 45 15.615 11.041 -2.378 1.00 0.00 O ATOM 658 OE2 GLU A 45 16.458 12.571 -3.637 1.00 0.00 O ATOM 0 H GLU A 45 14.723 9.113 -5.379 1.00 0.00 H new ATOM 0 HA GLU A 45 12.085 9.034 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.749 11.019 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.989 9.781 -3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.868 11.186 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.972 12.485 -4.575 1.00 0.00 H new ATOM 665 N ALA A 46 12.482 11.744 -6.455 1.00 0.00 N ATOM 666 CA ALA A 46 11.675 12.734 -7.221 1.00 0.00 C ATOM 667 C ALA A 46 10.604 12.006 -8.037 1.00 0.00 C ATOM 668 O ALA A 46 9.437 12.341 -7.990 1.00 0.00 O ATOM 669 CB ALA A 46 12.672 13.434 -8.143 1.00 0.00 C ATOM 0 H ALA A 46 13.493 11.848 -6.536 1.00 0.00 H new ATOM 0 HA ALA A 46 11.160 13.444 -6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.151 14.181 -8.742 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.441 13.921 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.136 12.700 -8.802 1.00 0.00 H new ATOM 675 N GLU A 47 10.994 11.003 -8.777 1.00 0.00 N ATOM 676 CA GLU A 47 10.002 10.242 -9.588 1.00 0.00 C ATOM 677 C GLU A 47 9.251 9.254 -8.691 1.00 0.00 C ATOM 678 O GLU A 47 8.091 8.962 -8.902 1.00 0.00 O ATOM 679 CB GLU A 47 10.833 9.497 -10.632 1.00 0.00 C ATOM 680 CG GLU A 47 11.714 10.492 -11.389 1.00 0.00 C ATOM 681 CD GLU A 47 11.660 10.185 -12.886 1.00 0.00 C ATOM 682 OE1 GLU A 47 10.680 9.599 -13.316 1.00 0.00 O ATOM 683 OE2 GLU A 47 12.599 10.542 -13.579 1.00 0.00 O ATOM 0 H GLU A 47 11.958 10.678 -8.855 1.00 0.00 H new ATOM 0 HA GLU A 47 9.256 10.887 -10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.452 8.742 -10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.177 8.973 -11.328 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.373 11.510 -11.203 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.742 10.430 -11.031 1.00 0.00 H new ATOM 690 N VAL A 48 9.909 8.744 -7.686 1.00 0.00 N ATOM 691 CA VAL A 48 9.245 7.783 -6.762 1.00 0.00 C ATOM 692 C VAL A 48 8.150 8.506 -5.980 1.00 0.00 C ATOM 693 O VAL A 48 6.973 8.248 -6.141 1.00 0.00 O ATOM 694 CB VAL A 48 10.353 7.319 -5.813 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.868 6.121 -4.999 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.589 6.914 -6.616 1.00 0.00 C ATOM 0 H VAL A 48 10.883 8.953 -7.465 1.00 0.00 H new ATOM 0 HA VAL A 48 8.781 6.947 -7.286 1.00 0.00 H new ATOM 0 HB VAL A 48 10.608 8.138 -5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.660 5.794 -4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.992 6.407 -4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.606 5.305 -5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.374 6.585 -5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.332 6.100 -7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.944 7.768 -7.193 1.00 0.00 H new ATOM 706 N ASN A 49 8.540 9.420 -5.139 1.00 0.00 N ATOM 707 CA ASN A 49 7.549 10.185 -4.339 1.00 0.00 C ATOM 708 C ASN A 49 6.545 10.873 -5.273 1.00 0.00 C ATOM 709 O ASN A 49 5.375 10.987 -4.966 1.00 0.00 O ATOM 710 CB ASN A 49 8.400 11.211 -3.583 1.00 0.00 C ATOM 711 CG ASN A 49 7.558 12.440 -3.225 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.974 13.560 -3.445 1.00 0.00 O ATOM 713 ND2 ASN A 49 6.384 12.275 -2.682 1.00 0.00 N ATOM 0 H ASN A 49 9.514 9.672 -4.971 1.00 0.00 H new ATOM 0 HA ASN A 49 6.962 9.562 -3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.803 10.761 -2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.250 11.510 -4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.815 13.086 -2.442 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.035 11.334 -2.497 1.00 0.00 H new ATOM 720 N ASP A 50 6.995 11.328 -6.410 1.00 0.00 N ATOM 721 CA ASP A 50 6.066 12.004 -7.361 1.00 0.00 C ATOM 722 C ASP A 50 4.944 11.047 -7.769 1.00 0.00 C ATOM 723 O ASP A 50 3.781 11.399 -7.765 1.00 0.00 O ATOM 724 CB ASP A 50 6.929 12.367 -8.570 1.00 0.00 C ATOM 725 CG ASP A 50 6.028 12.713 -9.757 1.00 0.00 C ATOM 726 OD1 ASP A 50 5.157 13.551 -9.589 1.00 0.00 O ATOM 727 OD2 ASP A 50 6.224 12.134 -10.813 1.00 0.00 O ATOM 0 H ASP A 50 7.964 11.261 -6.722 1.00 0.00 H new ATOM 0 HA ASP A 50 5.592 12.882 -6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.572 13.214 -8.330 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.582 11.533 -8.827 1.00 0.00 H new ATOM 732 N LEU A 51 5.283 9.836 -8.121 1.00 0.00 N ATOM 733 CA LEU A 51 4.234 8.857 -8.526 1.00 0.00 C ATOM 734 C LEU A 51 3.226 8.666 -7.391 1.00 0.00 C ATOM 735 O LEU A 51 2.033 8.793 -7.579 1.00 0.00 O ATOM 736 CB LEU A 51 4.990 7.556 -8.798 1.00 0.00 C ATOM 737 CG LEU A 51 4.863 7.193 -10.278 1.00 0.00 C ATOM 738 CD1 LEU A 51 6.240 7.259 -10.941 1.00 0.00 C ATOM 739 CD2 LEU A 51 4.306 5.773 -10.408 1.00 0.00 C ATOM 0 H LEU A 51 6.240 9.483 -8.146 1.00 0.00 H new ATOM 0 HA LEU A 51 3.671 9.190 -9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.040 7.670 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.588 6.753 -8.180 1.00 0.00 H new ATOM 0 HG LEU A 51 4.189 7.897 -10.767 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.149 7.000 -11.996 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.640 8.269 -10.848 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.913 6.555 -10.452 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.215 5.513 -11.463 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.981 5.071 -9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.325 5.722 -9.936 1.00 0.00 H new ATOM 751 N MET A 52 3.696 8.363 -6.211 1.00 0.00 N ATOM 752 CA MET A 52 2.761 8.167 -5.066 1.00 0.00 C ATOM 753 C MET A 52 1.861 9.396 -4.907 1.00 0.00 C ATOM 754 O MET A 52 0.662 9.281 -4.745 1.00 0.00 O ATOM 755 CB MET A 52 3.664 7.999 -3.842 1.00 0.00 C ATOM 756 CG MET A 52 2.837 8.189 -2.568 1.00 0.00 C ATOM 757 SD MET A 52 2.948 9.911 -2.026 1.00 0.00 S ATOM 758 CE MET A 52 1.244 10.076 -1.440 1.00 0.00 C ATOM 0 H MET A 52 4.685 8.243 -5.991 1.00 0.00 H new ATOM 0 HA MET A 52 2.105 7.308 -5.208 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.121 7.010 -3.847 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.476 8.726 -3.873 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.797 7.922 -2.754 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.201 7.526 -1.783 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.776 10.935 -1.921 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.685 9.173 -1.686 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.243 10.220 -0.360 1.00 0.00 H new ATOM 768 N ASN A 53 2.431 10.569 -4.952 1.00 0.00 N ATOM 769 CA ASN A 53 1.608 11.804 -4.802 1.00 0.00 C ATOM 770 C ASN A 53 0.743 12.021 -6.047 1.00 0.00 C ATOM 771 O ASN A 53 -0.453 12.212 -5.959 1.00 0.00 O ATOM 772 CB ASN A 53 2.621 12.938 -4.649 1.00 0.00 C ATOM 773 CG ASN A 53 1.953 14.131 -3.964 1.00 0.00 C ATOM 774 OD1 ASN A 53 2.283 14.467 -2.844 1.00 0.00 O ATOM 775 ND2 ASN A 53 1.019 14.790 -4.593 1.00 0.00 N ATOM 0 H ASN A 53 3.430 10.726 -5.086 1.00 0.00 H new ATOM 0 HA ASN A 53 0.929 11.746 -3.952 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.475 12.600 -4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.002 13.233 -5.626 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.567 15.587 -4.144 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.741 14.509 -5.533 1.00 0.00 H new ATOM 782 N GLU A 54 1.339 11.993 -7.209 1.00 0.00 N ATOM 783 CA GLU A 54 0.549 12.197 -8.456 1.00 0.00 C ATOM 784 C GLU A 54 -0.730 11.358 -8.416 1.00 0.00 C ATOM 785 O GLU A 54 -1.709 11.668 -9.066 1.00 0.00 O ATOM 786 CB GLU A 54 1.464 11.726 -9.588 1.00 0.00 C ATOM 787 CG GLU A 54 2.502 12.809 -9.890 1.00 0.00 C ATOM 788 CD GLU A 54 3.364 12.373 -11.076 1.00 0.00 C ATOM 789 OE1 GLU A 54 3.317 11.203 -11.418 1.00 0.00 O ATOM 790 OE2 GLU A 54 4.056 13.216 -11.622 1.00 0.00 O ATOM 0 H GLU A 54 2.338 11.838 -7.348 1.00 0.00 H new ATOM 0 HA GLU A 54 0.243 13.235 -8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.962 10.799 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.876 11.512 -10.480 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.004 13.752 -10.116 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.129 12.981 -9.015 1.00 0.00 H new ATOM 797 N ILE A 55 -0.730 10.296 -7.658 1.00 0.00 N ATOM 798 CA ILE A 55 -1.946 9.437 -7.576 1.00 0.00 C ATOM 799 C ILE A 55 -2.573 9.537 -6.183 1.00 0.00 C ATOM 800 O ILE A 55 -3.700 9.135 -5.969 1.00 0.00 O ATOM 801 CB ILE A 55 -1.445 8.018 -7.835 1.00 0.00 C ATOM 802 CG1 ILE A 55 -0.531 8.014 -9.062 1.00 0.00 C ATOM 803 CG2 ILE A 55 -2.636 7.092 -8.088 1.00 0.00 C ATOM 804 CD1 ILE A 55 0.028 6.607 -9.278 1.00 0.00 C ATOM 0 H ILE A 55 0.059 9.986 -7.092 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.712 9.737 -8.291 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.890 7.668 -6.965 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.086 8.335 -9.943 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.285 8.723 -8.923 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.277 6.080 -8.273 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.289 7.092 -7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.192 7.444 -8.957 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.679 6.604 -10.152 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.598 6.303 -8.400 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.794 5.909 -9.436 1.00 0.00 H new ATOM 816 N ASP A 56 -1.852 10.067 -5.233 1.00 0.00 N ATOM 817 CA ASP A 56 -2.409 10.188 -3.855 1.00 0.00 C ATOM 818 C ASP A 56 -3.566 11.190 -3.838 1.00 0.00 C ATOM 819 O ASP A 56 -3.835 11.861 -4.814 1.00 0.00 O ATOM 820 CB ASP A 56 -1.247 10.696 -3.002 1.00 0.00 C ATOM 821 CG ASP A 56 -1.684 10.768 -1.538 1.00 0.00 C ATOM 822 OD1 ASP A 56 -2.704 10.184 -1.213 1.00 0.00 O ATOM 823 OD2 ASP A 56 -0.989 11.408 -0.764 1.00 0.00 O ATOM 0 H ASP A 56 -0.903 10.421 -5.351 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.804 9.242 -3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.389 10.032 -3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.931 11.680 -3.347 1.00 0.00 H new ATOM 828 N VAL A 57 -4.252 11.294 -2.733 1.00 0.00 N ATOM 829 CA VAL A 57 -5.390 12.251 -2.649 1.00 0.00 C ATOM 830 C VAL A 57 -5.338 13.019 -1.324 1.00 0.00 C ATOM 831 O VAL A 57 -5.675 14.184 -1.257 1.00 0.00 O ATOM 832 CB VAL A 57 -6.646 11.381 -2.718 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.748 10.741 -4.104 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.563 10.283 -1.655 1.00 0.00 C ATOM 0 H VAL A 57 -4.073 10.757 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.366 12.993 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.526 11.998 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.643 10.121 -4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.805 11.522 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.868 10.123 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.457 9.662 -1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.683 9.666 -1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.489 10.738 -0.667 1.00 0.00 H new ATOM 844 N ASP A 58 -4.915 12.374 -0.271 1.00 0.00 N ATOM 845 CA ASP A 58 -4.839 13.067 1.047 1.00 0.00 C ATOM 846 C ASP A 58 -3.425 13.606 1.280 1.00 0.00 C ATOM 847 O ASP A 58 -3.200 14.433 2.141 1.00 0.00 O ATOM 848 CB ASP A 58 -5.182 11.993 2.080 1.00 0.00 C ATOM 849 CG ASP A 58 -4.219 10.815 1.930 1.00 0.00 C ATOM 850 OD1 ASP A 58 -4.001 10.391 0.807 1.00 0.00 O ATOM 851 OD2 ASP A 58 -3.715 10.354 2.941 1.00 0.00 O ATOM 0 H ASP A 58 -4.619 11.398 -0.266 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.516 13.919 1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.114 12.406 3.086 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.210 11.656 1.943 1.00 0.00 H new ATOM 856 N GLY A 59 -2.470 13.143 0.520 1.00 0.00 N ATOM 857 CA GLY A 59 -1.073 13.630 0.699 1.00 0.00 C ATOM 858 C GLY A 59 -0.462 12.994 1.949 1.00 0.00 C ATOM 859 O GLY A 59 -0.246 13.649 2.948 1.00 0.00 O ATOM 0 H GLY A 59 -2.597 12.449 -0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.475 13.380 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.065 14.716 0.791 1.00 0.00 H new ATOM 863 N ASN A 60 -0.181 11.719 1.901 1.00 0.00 N ATOM 864 CA ASN A 60 0.418 11.042 3.086 1.00 0.00 C ATOM 865 C ASN A 60 1.620 10.196 2.660 1.00 0.00 C ATOM 866 O ASN A 60 1.984 9.241 3.316 1.00 0.00 O ATOM 867 CB ASN A 60 -0.696 10.151 3.638 1.00 0.00 C ATOM 868 CG ASN A 60 -1.343 9.374 2.490 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.822 9.959 1.539 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.379 8.071 2.540 1.00 0.00 N ATOM 0 H ASN A 60 -0.341 11.118 1.092 1.00 0.00 H new ATOM 0 HA ASN A 60 0.778 11.753 3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.291 9.459 4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.444 10.759 4.147 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.809 7.543 1.781 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.977 7.580 3.338 1.00 0.00 H new ATOM 877 N HIS A 61 2.234 10.539 1.558 1.00 0.00 N ATOM 878 CA HIS A 61 3.415 9.759 1.077 1.00 0.00 C ATOM 879 C HIS A 61 2.980 8.362 0.621 1.00 0.00 C ATOM 880 O HIS A 61 3.795 7.533 0.268 1.00 0.00 O ATOM 881 CB HIS A 61 4.361 9.659 2.279 1.00 0.00 C ATOM 882 CG HIS A 61 4.415 10.982 2.995 1.00 0.00 C ATOM 883 ND1 HIS A 61 4.191 12.184 2.344 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.667 11.306 4.305 1.00 0.00 C ATOM 885 CE1 HIS A 61 4.311 13.167 3.254 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.600 12.687 4.467 1.00 0.00 N ATOM 0 H HIS A 61 1.968 11.328 0.968 1.00 0.00 H new ATOM 0 HA HIS A 61 3.897 10.239 0.225 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.018 8.880 2.960 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.359 9.374 1.946 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.884 10.597 5.090 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.189 14.217 3.031 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.741 13.218 5.326 1.00 0.00 H new ATOM 894 N GLN A 62 1.701 8.096 0.621 1.00 0.00 N ATOM 895 CA GLN A 62 1.215 6.754 0.183 1.00 0.00 C ATOM 896 C GLN A 62 -0.213 6.866 -0.357 1.00 0.00 C ATOM 897 O GLN A 62 -0.947 7.771 -0.012 1.00 0.00 O ATOM 898 CB GLN A 62 1.239 5.884 1.442 1.00 0.00 C ATOM 899 CG GLN A 62 2.576 6.057 2.165 1.00 0.00 C ATOM 900 CD GLN A 62 2.656 5.074 3.334 1.00 0.00 C ATOM 901 OE1 GLN A 62 3.727 4.630 3.698 1.00 0.00 O ATOM 902 NE2 GLN A 62 1.559 4.711 3.941 1.00 0.00 N ATOM 0 H GLN A 62 0.971 8.750 0.905 1.00 0.00 H new ATOM 0 HA GLN A 62 1.831 6.334 -0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.419 6.162 2.103 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.092 4.837 1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.400 5.884 1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.675 7.080 2.529 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.660 5.084 3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.601 4.055 4.721 1.00 0.00 H new ATOM 911 N ILE A 63 -0.613 5.955 -1.200 1.00 0.00 N ATOM 912 CA ILE A 63 -1.991 6.013 -1.759 1.00 0.00 C ATOM 913 C ILE A 63 -2.684 4.655 -1.615 1.00 0.00 C ATOM 914 O ILE A 63 -2.045 3.624 -1.556 1.00 0.00 O ATOM 915 CB ILE A 63 -1.801 6.362 -3.236 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.306 5.132 -3.996 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.778 7.492 -3.372 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.508 4.354 -4.537 1.00 0.00 C ATOM 0 H ILE A 63 -0.045 5.173 -1.526 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.615 6.741 -1.241 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.755 6.686 -3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.655 5.435 -4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.714 4.497 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.645 7.738 -4.426 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.134 8.372 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.175 7.172 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.159 3.476 -5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.141 4.040 -3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.081 4.992 -5.210 1.00 0.00 H new ATOM 930 N GLU A 64 -3.987 4.650 -1.574 1.00 0.00 N ATOM 931 CA GLU A 64 -4.725 3.360 -1.451 1.00 0.00 C ATOM 932 C GLU A 64 -5.273 2.958 -2.821 1.00 0.00 C ATOM 933 O GLU A 64 -5.231 3.726 -3.761 1.00 0.00 O ATOM 934 CB GLU A 64 -5.866 3.643 -0.474 1.00 0.00 C ATOM 935 CG GLU A 64 -5.296 4.215 0.826 1.00 0.00 C ATOM 936 CD GLU A 64 -6.445 4.624 1.751 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.544 4.134 1.551 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.206 5.422 2.642 1.00 0.00 O ATOM 0 H GLU A 64 -4.574 5.483 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.093 2.544 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.570 4.348 -0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.419 2.726 -0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.666 3.473 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.664 5.077 0.610 1.00 0.00 H new ATOM 945 N PHE A 65 -5.784 1.766 -2.951 1.00 0.00 N ATOM 946 CA PHE A 65 -6.322 1.344 -4.274 1.00 0.00 C ATOM 947 C PHE A 65 -7.272 2.412 -4.822 1.00 0.00 C ATOM 948 O PHE A 65 -6.958 3.103 -5.768 1.00 0.00 O ATOM 949 CB PHE A 65 -7.082 0.046 -4.019 1.00 0.00 C ATOM 950 CG PHE A 65 -7.864 -0.295 -5.261 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.186 -0.654 -6.431 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.262 -0.230 -5.250 1.00 0.00 C ATOM 953 CE1 PHE A 65 -7.906 -0.950 -7.592 1.00 0.00 C ATOM 954 CE2 PHE A 65 -9.982 -0.529 -6.412 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.304 -0.888 -7.581 1.00 0.00 C ATOM 0 H PHE A 65 -5.852 1.072 -2.207 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.527 1.207 -5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.388 -0.758 -3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.752 0.159 -3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.107 -0.702 -6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.784 0.050 -4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.384 -1.226 -8.496 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.061 -0.483 -6.406 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.861 -1.118 -8.478 1.00 0.00 H new ATOM 965 N SER A 66 -8.435 2.540 -4.235 1.00 0.00 N ATOM 966 CA SER A 66 -9.423 3.558 -4.710 1.00 0.00 C ATOM 967 C SER A 66 -8.708 4.819 -5.205 1.00 0.00 C ATOM 968 O SER A 66 -9.077 5.397 -6.209 1.00 0.00 O ATOM 969 CB SER A 66 -10.280 3.875 -3.486 1.00 0.00 C ATOM 970 OG SER A 66 -10.534 2.675 -2.766 1.00 0.00 O ATOM 0 H SER A 66 -8.745 1.979 -3.441 1.00 0.00 H new ATOM 0 HA SER A 66 -10.018 3.190 -5.546 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.769 4.595 -2.847 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.220 4.333 -3.795 1.00 0.00 H new ATOM 0 HG SER A 66 -11.082 2.876 -1.979 1.00 0.00 H new ATOM 976 N GLU A 67 -7.679 5.244 -4.522 1.00 0.00 N ATOM 977 CA GLU A 67 -6.941 6.457 -4.975 1.00 0.00 C ATOM 978 C GLU A 67 -6.250 6.154 -6.305 1.00 0.00 C ATOM 979 O GLU A 67 -6.302 6.931 -7.237 1.00 0.00 O ATOM 980 CB GLU A 67 -5.917 6.736 -3.876 1.00 0.00 C ATOM 981 CG GLU A 67 -6.627 6.790 -2.522 1.00 0.00 C ATOM 982 CD GLU A 67 -5.721 7.469 -1.494 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.652 7.916 -1.879 1.00 0.00 O ATOM 984 OE2 GLU A 67 -6.110 7.530 -0.339 1.00 0.00 O ATOM 0 H GLU A 67 -7.319 4.806 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.591 7.317 -5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.154 5.957 -3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.407 7.680 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.565 7.338 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.878 5.782 -2.191 1.00 0.00 H new ATOM 991 N PHE A 68 -5.622 5.015 -6.403 1.00 0.00 N ATOM 992 CA PHE A 68 -4.947 4.640 -7.676 1.00 0.00 C ATOM 993 C PHE A 68 -5.956 4.740 -8.823 1.00 0.00 C ATOM 994 O PHE A 68 -5.630 5.150 -9.918 1.00 0.00 O ATOM 995 CB PHE A 68 -4.488 3.193 -7.457 1.00 0.00 C ATOM 996 CG PHE A 68 -4.353 2.470 -8.777 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.435 2.917 -9.735 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.137 1.338 -9.035 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.304 2.234 -10.951 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -5.004 0.656 -10.249 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.088 1.104 -11.207 1.00 0.00 C ATOM 0 H PHE A 68 -5.547 4.326 -5.654 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.108 5.286 -7.933 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.532 3.185 -6.933 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.204 2.671 -6.822 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.828 3.788 -9.537 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.844 0.992 -8.296 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.598 2.580 -11.691 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.609 -0.217 -10.447 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.986 0.577 -12.144 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.185 4.380 -8.566 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.226 4.467 -9.629 1.00 0.00 C ATOM 1013 C LEU A 69 -8.475 5.933 -9.980 1.00 0.00 C ATOM 1014 O LEU A 69 -8.577 6.300 -11.134 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.477 3.845 -9.006 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.506 2.342 -9.298 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.882 2.113 -10.762 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.127 1.738 -9.026 1.00 0.00 C ATOM 0 H LEU A 69 -7.512 4.030 -7.666 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.935 3.957 -10.547 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.483 4.016 -7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.371 4.321 -9.409 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.244 1.864 -8.653 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.902 1.043 -10.969 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.866 2.539 -10.956 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.146 2.593 -11.406 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.151 0.668 -9.235 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.387 2.217 -9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.859 1.898 -7.982 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.565 6.777 -8.989 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.798 8.224 -9.259 1.00 0.00 C ATOM 1032 C ALA A 70 -7.779 8.727 -10.283 1.00 0.00 C ATOM 1033 O ALA A 70 -8.113 9.447 -11.204 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.592 8.914 -7.909 1.00 0.00 C ATOM 0 H ALA A 70 -8.487 6.527 -8.003 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.789 8.422 -9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.746 9.987 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.305 8.519 -7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.577 8.728 -7.556 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.540 8.346 -10.133 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.499 8.794 -11.100 1.00 0.00 C ATOM 1042 C LEU A 71 -5.476 7.860 -12.313 1.00 0.00 C ATOM 1043 O LEU A 71 -4.957 8.198 -13.359 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.181 8.709 -10.332 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.231 9.804 -10.823 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -2.880 9.554 -12.290 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -3.912 11.167 -10.687 1.00 0.00 C ATOM 0 H LEU A 71 -6.204 7.743 -9.382 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.685 9.801 -11.474 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.363 8.823 -9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.727 7.728 -10.475 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.320 9.791 -10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.203 10.334 -12.640 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.396 8.582 -12.388 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.790 9.568 -12.889 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.236 11.948 -11.036 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.823 11.180 -11.286 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.163 11.346 -9.641 1.00 0.00 H new ATOM 1059 N MET A 72 -6.037 6.688 -12.182 1.00 0.00 N ATOM 1060 CA MET A 72 -6.048 5.735 -13.328 1.00 0.00 C ATOM 1061 C MET A 72 -7.128 6.134 -14.337 1.00 0.00 C ATOM 1062 O MET A 72 -6.853 6.764 -15.339 1.00 0.00 O ATOM 1063 CB MET A 72 -6.368 4.373 -12.716 1.00 0.00 C ATOM 1064 CG MET A 72 -5.171 3.439 -12.899 1.00 0.00 C ATOM 1065 SD MET A 72 -4.718 3.373 -14.651 1.00 0.00 S ATOM 1066 CE MET A 72 -3.435 2.104 -14.506 1.00 0.00 C ATOM 0 H MET A 72 -6.488 6.350 -11.332 1.00 0.00 H new ATOM 0 HA MET A 72 -5.098 5.727 -13.862 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.598 4.483 -11.656 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.252 3.947 -13.191 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.327 3.793 -12.307 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.417 2.440 -12.538 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.973 1.940 -15.480 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.677 2.433 -13.795 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.882 1.174 -14.155 1.00 0.00 H new