USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 701 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 Single : A 14 ASN : amide:sc= -0.0997 K(o=-0.1,f=-0.92) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -122:sc= 1.16 (180deg=-0.15) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 9:sc= 0.373 USER MOD Single : A 47 MET CE :methyl 180:sc= -1.1 (180deg=-1.1) USER MOD Single : A 53 THR OG1 : rot 75:sc= 1.08 USER MOD Single : A 55 LYS NZ :NH3+ -131:sc= -0.809 (180deg=-2.59!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 13:sc= 1.28 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 94:sc= 1.19 USER MOD Single : A 71 ASN : amide:sc=-0.00752 X(o=-0.0075,f=0) USER MOD Single : A 76 MET CE :methyl -163:sc= -2.08 (180deg=-2.43) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -168:sc= -0.217 (180deg=-1.41) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 86 GLN : amide:sc= -0.0295 X(o=-0.03,f=-0.38) USER MOD Single : A 89 THR OG1 : rot 82:sc= 0.823 USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 -10.142 11.279 -0.723 1.00 1.00 N ATOM 28 CA ARG A 3 -10.472 9.858 -0.838 1.00 1.00 C ATOM 29 C ARG A 3 -9.257 8.983 -1.073 1.00 1.00 C ATOM 30 O ARG A 3 -9.303 7.854 -0.612 1.00 1.00 O ATOM 31 CB ARG A 3 -11.477 9.619 -1.977 1.00 1.00 C ATOM 32 CG ARG A 3 -12.932 9.906 -1.580 1.00 1.00 C ATOM 33 CD ARG A 3 -13.524 8.734 -0.782 1.00 1.00 C ATOM 34 NE ARG A 3 -14.625 9.180 0.085 1.00 1.00 N ATOM 35 CZ ARG A 3 -14.921 8.652 1.282 1.00 1.00 C ATOM 36 NH1 ARG A 3 -14.415 7.483 1.661 1.00 1.00 N ATOM 37 NH2 ARG A 3 -15.705 9.325 2.107 1.00 1.00 N ATOM 0 HA ARG A 3 -10.910 9.579 0.120 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -11.209 10.249 -2.825 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.397 8.584 -2.310 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -12.977 10.817 -0.983 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -13.530 10.081 -2.475 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -13.886 7.969 -1.469 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -12.744 8.274 -0.175 1.00 1.00 H new ATOM 0 HE ARG A 3 -15.207 9.948 -0.249 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -13.790 6.972 1.038 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -14.651 7.097 2.575 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -16.076 10.234 1.830 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -15.938 8.935 3.020 1.00 1.00 H new ATOM 51 N ALA A 4 -8.191 9.470 -1.719 1.00 1.00 N ATOM 52 CA ALA A 4 -6.958 8.702 -1.870 1.00 1.00 C ATOM 53 C ALA A 4 -6.544 8.132 -0.519 1.00 1.00 C ATOM 54 O ALA A 4 -6.367 6.929 -0.350 1.00 1.00 O ATOM 55 CB ALA A 4 -5.832 9.594 -2.415 1.00 1.00 C ATOM 0 H ALA A 4 -8.162 10.396 -2.146 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.136 7.890 -2.575 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -4.921 9.005 -2.521 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -6.122 9.993 -3.387 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.653 10.418 -1.724 1.00 1.00 H new ATOM 61 N ARG A 5 -6.422 9.022 0.462 1.00 1.00 N ATOM 62 CA ARG A 5 -5.973 8.663 1.788 1.00 1.00 C ATOM 63 C ARG A 5 -6.989 7.775 2.469 1.00 1.00 C ATOM 64 O ARG A 5 -6.611 6.737 2.993 1.00 1.00 O ATOM 65 CB ARG A 5 -5.794 9.906 2.652 1.00 1.00 C ATOM 66 CG ARG A 5 -4.809 10.948 2.102 1.00 1.00 C ATOM 67 CD ARG A 5 -3.768 11.349 3.167 1.00 1.00 C ATOM 68 NE ARG A 5 -4.348 11.608 4.500 1.00 1.00 N ATOM 69 CZ ARG A 5 -3.608 11.784 5.600 1.00 1.00 C ATOM 70 NH1 ARG A 5 -2.406 12.336 5.531 1.00 1.00 N ATOM 71 NH2 ARG A 5 -4.055 11.369 6.771 1.00 1.00 N ATOM 0 H ARG A 5 -6.634 10.013 0.351 1.00 1.00 H new ATOM 0 HA ARG A 5 -5.023 8.140 1.678 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.766 10.382 2.782 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -5.456 9.596 3.641 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -4.300 10.545 1.226 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -5.356 11.832 1.774 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -3.025 10.556 3.252 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -3.243 12.243 2.830 1.00 1.00 H new ATOM 0 HE ARG A 5 -5.363 11.655 4.586 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -2.032 12.634 4.630 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -1.854 12.463 6.379 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -4.965 10.914 6.837 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -3.490 11.504 7.609 1.00 1.00 H new ATOM 85 N ASP A 6 -8.263 8.169 2.465 1.00 1.00 N ATOM 86 CA ASP A 6 -9.275 7.424 3.207 1.00 1.00 C ATOM 87 C ASP A 6 -9.525 6.044 2.602 1.00 1.00 C ATOM 88 O ASP A 6 -9.985 5.144 3.301 1.00 1.00 O ATOM 89 CB ASP A 6 -10.548 8.259 3.375 1.00 1.00 C ATOM 90 CG ASP A 6 -10.378 9.242 4.537 1.00 1.00 C ATOM 91 OD1 ASP A 6 -9.609 10.223 4.401 1.00 1.00 O ATOM 92 OD2 ASP A 6 -10.998 9.029 5.605 1.00 1.00 O ATOM 0 H ASP A 6 -8.613 8.986 1.965 1.00 1.00 H new ATOM 0 HA ASP A 6 -8.895 7.232 4.210 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -10.760 8.804 2.455 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.400 7.605 3.562 1.00 1.00 H new ATOM 97 N ALA A 7 -9.210 5.843 1.324 1.00 1.00 N ATOM 98 CA ALA A 7 -9.297 4.555 0.665 1.00 1.00 C ATOM 99 C ALA A 7 -8.078 3.708 1.011 1.00 1.00 C ATOM 100 O ALA A 7 -8.256 2.520 1.270 1.00 1.00 O ATOM 101 CB ALA A 7 -9.440 4.756 -0.840 1.00 1.00 C ATOM 0 H ALA A 7 -8.882 6.590 0.711 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.179 4.020 1.016 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.505 3.786 -1.332 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.344 5.329 -1.046 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.573 5.297 -1.219 1.00 1.00 H new ATOM 107 N ILE A 8 -6.866 4.281 1.030 1.00 1.00 N ATOM 108 CA ILE A 8 -5.675 3.549 1.462 1.00 1.00 C ATOM 109 C ILE A 8 -5.906 3.124 2.916 1.00 1.00 C ATOM 110 O ILE A 8 -5.770 1.941 3.211 1.00 1.00 O ATOM 111 CB ILE A 8 -4.375 4.365 1.241 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.151 4.675 -0.259 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.136 3.648 1.794 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.324 5.952 -0.461 1.00 1.00 C ATOM 0 H ILE A 8 -6.689 5.246 0.752 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.525 2.657 0.854 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.509 5.298 1.789 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.643 3.835 -0.732 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.115 4.784 -0.755 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.252 4.259 1.615 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.256 3.488 2.866 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.019 2.686 1.295 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.190 6.134 -1.527 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.845 6.798 -0.012 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.349 5.833 0.012 1.00 1.00 H new ATOM 126 N LEU A 9 -6.339 4.047 3.784 1.00 1.00 N ATOM 127 CA LEU A 9 -6.666 3.809 5.186 1.00 1.00 C ATOM 128 C LEU A 9 -7.620 2.632 5.305 1.00 1.00 C ATOM 129 O LEU A 9 -7.276 1.624 5.921 1.00 1.00 O ATOM 130 CB LEU A 9 -7.235 5.094 5.821 1.00 1.00 C ATOM 131 CG LEU A 9 -7.474 5.070 7.345 1.00 1.00 C ATOM 132 CD1 LEU A 9 -8.724 4.291 7.766 1.00 1.00 C ATOM 133 CD2 LEU A 9 -6.254 4.563 8.118 1.00 1.00 C ATOM 0 H LEU A 9 -6.475 5.020 3.512 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.762 3.549 5.737 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.553 5.914 5.597 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -8.182 5.324 5.332 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.646 6.114 7.608 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -8.823 4.320 8.851 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.605 4.742 7.309 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -8.635 3.255 7.438 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.473 4.565 9.186 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -6.017 3.548 7.798 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.402 5.214 7.921 1.00 1.00 H new ATOM 145 N ASP A 10 -8.813 2.757 4.714 1.00 1.00 N ATOM 146 CA ASP A 10 -9.845 1.728 4.802 1.00 1.00 C ATOM 147 C ASP A 10 -9.344 0.406 4.239 1.00 1.00 C ATOM 148 O ASP A 10 -9.709 -0.640 4.763 1.00 1.00 O ATOM 149 CB ASP A 10 -11.143 2.166 4.102 1.00 1.00 C ATOM 150 CG ASP A 10 -12.038 3.084 4.946 1.00 1.00 C ATOM 151 OD1 ASP A 10 -11.852 3.184 6.181 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.981 3.696 4.385 1.00 1.00 O ATOM 0 H ASP A 10 -9.086 3.572 4.164 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.074 1.584 5.858 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.887 2.680 3.176 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.711 1.277 3.827 1.00 1.00 H new ATOM 157 N ALA A 11 -8.498 0.428 3.203 1.00 1.00 N ATOM 158 CA ALA A 11 -7.882 -0.773 2.664 1.00 1.00 C ATOM 159 C ALA A 11 -7.026 -1.434 3.739 1.00 1.00 C ATOM 160 O ALA A 11 -7.268 -2.598 4.043 1.00 1.00 O ATOM 161 CB ALA A 11 -7.081 -0.479 1.387 1.00 1.00 C ATOM 0 H ALA A 11 -8.226 1.284 2.719 1.00 1.00 H new ATOM 0 HA ALA A 11 -8.668 -1.470 2.373 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -6.636 -1.402 1.016 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -7.745 -0.065 0.628 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.292 0.240 1.610 1.00 1.00 H new ATOM 167 N LEU A 12 -6.060 -0.727 4.337 1.00 1.00 N ATOM 168 CA LEU A 12 -5.152 -1.364 5.294 1.00 1.00 C ATOM 169 C LEU A 12 -5.934 -1.921 6.478 1.00 1.00 C ATOM 170 O LEU A 12 -5.615 -2.995 6.975 1.00 1.00 O ATOM 171 CB LEU A 12 -4.130 -0.432 5.921 1.00 1.00 C ATOM 172 CG LEU A 12 -3.085 0.203 5.011 1.00 1.00 C ATOM 173 CD1 LEU A 12 -2.940 -0.451 3.627 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.354 1.699 4.914 1.00 1.00 C ATOM 0 H LEU A 12 -5.889 0.266 4.179 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.642 -2.122 4.699 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.673 0.372 6.418 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -3.603 -0.988 6.697 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.115 0.026 5.475 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -2.173 0.072 3.056 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -2.654 -1.496 3.747 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -3.890 -0.393 3.096 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.610 2.161 4.265 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -4.349 1.864 4.501 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.295 2.144 5.907 1.00 1.00 H new ATOM 186 N GLU A 13 -6.906 -1.155 6.973 1.00 1.00 N ATOM 187 CA GLU A 13 -7.720 -1.550 8.110 1.00 1.00 C ATOM 188 C GLU A 13 -8.521 -2.804 7.757 1.00 1.00 C ATOM 189 O GLU A 13 -8.611 -3.726 8.573 1.00 1.00 O ATOM 190 CB GLU A 13 -8.602 -0.389 8.596 1.00 1.00 C ATOM 191 CG GLU A 13 -7.838 0.826 9.170 1.00 1.00 C ATOM 192 CD GLU A 13 -7.088 0.591 10.493 1.00 1.00 C ATOM 193 OE1 GLU A 13 -6.572 -0.518 10.750 1.00 1.00 O ATOM 194 OE2 GLU A 13 -6.988 1.528 11.320 1.00 1.00 O ATOM 0 H GLU A 13 -7.148 -0.240 6.591 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.072 -1.800 8.950 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.218 -0.049 7.763 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.280 -0.766 9.362 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -7.119 1.163 8.423 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -8.549 1.639 9.318 1.00 1.00 H new ATOM 201 N ASN A 14 -9.104 -2.847 6.554 1.00 1.00 N ATOM 202 CA ASN A 14 -9.815 -3.994 6.022 1.00 1.00 C ATOM 203 C ASN A 14 -8.906 -5.206 5.810 1.00 1.00 C ATOM 204 O ASN A 14 -9.439 -6.314 5.698 1.00 1.00 O ATOM 205 CB ASN A 14 -10.476 -3.643 4.678 1.00 1.00 C ATOM 206 CG ASN A 14 -11.761 -2.834 4.765 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.349 -2.647 5.831 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.286 -2.397 3.632 1.00 1.00 N ATOM 0 H ASN A 14 -9.088 -2.055 5.911 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.569 -4.255 6.765 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -9.758 -3.086 4.076 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.688 -4.570 4.145 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -13.179 -1.904 3.640 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -11.798 -2.553 2.750 1.00 1.00 H new ATOM 215 N LEU A 15 -7.582 -5.047 5.738 1.00 1.00 N ATOM 216 CA LEU A 15 -6.654 -6.156 5.634 1.00 1.00 C ATOM 217 C LEU A 15 -6.387 -6.686 7.035 1.00 1.00 C ATOM 218 O LEU A 15 -6.372 -5.942 8.016 1.00 1.00 O ATOM 219 CB LEU A 15 -5.316 -5.691 5.035 1.00 1.00 C ATOM 220 CG LEU A 15 -5.295 -5.314 3.547 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.851 -5.115 3.081 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.970 -6.375 2.673 1.00 1.00 C ATOM 0 H LEU A 15 -7.128 -4.133 5.751 1.00 1.00 H new ATOM 0 HA LEU A 15 -7.086 -6.923 4.991 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -4.975 -4.827 5.605 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.585 -6.484 5.191 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.857 -4.386 3.439 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.843 -4.848 2.024 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -3.388 -4.316 3.661 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.291 -6.039 3.226 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.931 -6.065 1.629 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.450 -7.326 2.789 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -7.010 -6.490 2.979 1.00 1.00 H new ATOM 234 N THR A 16 -6.105 -7.978 7.119 1.00 1.00 N ATOM 235 CA THR A 16 -5.737 -8.635 8.360 1.00 1.00 C ATOM 236 C THR A 16 -4.212 -8.651 8.470 1.00 1.00 C ATOM 237 O THR A 16 -3.513 -8.291 7.520 1.00 1.00 O ATOM 238 CB THR A 16 -6.354 -10.049 8.359 1.00 1.00 C ATOM 239 OG1 THR A 16 -6.039 -10.702 7.144 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.879 -10.000 8.490 1.00 1.00 C ATOM 0 H THR A 16 -6.126 -8.606 6.315 1.00 1.00 H new ATOM 0 HA THR A 16 -6.120 -8.107 9.233 1.00 1.00 H new ATOM 0 HB THR A 16 -5.942 -10.587 9.213 1.00 1.00 H new ATOM 0 HG1 THR A 16 -6.430 -11.601 7.145 1.00 1.00 H new ATOM 0 HG21 THR A 16 -8.277 -11.015 8.485 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.148 -9.509 9.425 1.00 1.00 H new ATOM 0 HG23 THR A 16 -8.298 -9.442 7.653 1.00 1.00 H new ATOM 248 N ALA A 17 -3.673 -9.063 9.619 1.00 1.00 N ATOM 249 CA ALA A 17 -2.236 -9.091 9.859 1.00 1.00 C ATOM 250 C ALA A 17 -1.494 -9.882 8.776 1.00 1.00 C ATOM 251 O ALA A 17 -0.403 -9.475 8.378 1.00 1.00 O ATOM 252 CB ALA A 17 -1.959 -9.672 11.246 1.00 1.00 C ATOM 0 H ALA A 17 -4.228 -9.388 10.411 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.862 -8.068 9.817 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -0.884 -9.692 11.424 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.440 -9.053 12.003 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.355 -10.686 11.301 1.00 1.00 H new ATOM 258 N GLU A 18 -2.074 -10.977 8.277 1.00 1.00 N ATOM 259 CA GLU A 18 -1.426 -11.856 7.309 1.00 1.00 C ATOM 260 C GLU A 18 -1.328 -11.134 5.955 1.00 1.00 C ATOM 261 O GLU A 18 -0.276 -11.093 5.312 1.00 1.00 O ATOM 262 CB GLU A 18 -2.265 -13.136 7.178 1.00 1.00 C ATOM 263 CG GLU A 18 -1.451 -14.320 6.629 1.00 1.00 C ATOM 264 CD GLU A 18 -0.592 -14.996 7.712 1.00 1.00 C ATOM 265 OE1 GLU A 18 -0.820 -14.784 8.929 1.00 1.00 O ATOM 266 OE2 GLU A 18 0.314 -15.782 7.363 1.00 1.00 O ATOM 0 H GLU A 18 -3.013 -11.278 8.537 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.420 -12.115 7.638 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.673 -13.401 8.154 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.112 -12.945 6.519 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.130 -15.055 6.197 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -0.805 -13.971 5.823 1.00 1.00 H new ATOM 273 N GLU A 19 -2.422 -10.497 5.537 1.00 1.00 N ATOM 274 CA GLU A 19 -2.458 -9.706 4.319 1.00 1.00 C ATOM 275 C GLU A 19 -1.500 -8.523 4.463 1.00 1.00 C ATOM 276 O GLU A 19 -0.700 -8.255 3.570 1.00 1.00 O ATOM 277 CB GLU A 19 -3.872 -9.186 4.062 1.00 1.00 C ATOM 278 CG GLU A 19 -4.968 -10.250 3.940 1.00 1.00 C ATOM 279 CD GLU A 19 -4.850 -11.141 2.709 1.00 1.00 C ATOM 280 OE1 GLU A 19 -4.498 -10.656 1.612 1.00 1.00 O ATOM 281 OE2 GLU A 19 -5.200 -12.338 2.812 1.00 1.00 O ATOM 0 H GLU A 19 -3.309 -10.519 6.040 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.157 -10.332 3.479 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.141 -8.507 4.872 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.860 -8.598 3.144 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.948 -10.878 4.831 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.938 -9.754 3.922 1.00 1.00 H new ATOM 288 N LEU A 20 -1.526 -7.830 5.604 1.00 1.00 N ATOM 289 CA LEU A 20 -0.620 -6.725 5.879 1.00 1.00 C ATOM 290 C LEU A 20 0.831 -7.195 5.869 1.00 1.00 C ATOM 291 O LEU A 20 1.704 -6.419 5.507 1.00 1.00 O ATOM 292 CB LEU A 20 -0.972 -6.013 7.200 1.00 1.00 C ATOM 293 CG LEU A 20 -2.247 -5.145 7.137 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.519 -4.498 8.493 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.096 -3.985 6.137 1.00 1.00 C ATOM 0 H LEU A 20 -2.180 -8.024 6.362 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.741 -5.994 5.080 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.096 -6.763 7.981 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.132 -5.383 7.494 1.00 1.00 H new ATOM 0 HG LEU A 20 -3.055 -5.811 6.835 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.421 -3.889 8.431 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.656 -5.274 9.246 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.674 -3.868 8.771 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -3.014 -3.397 6.121 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.263 -3.350 6.439 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -1.904 -4.385 5.142 1.00 1.00 H new ATOM 307 N LYS A 21 1.131 -8.445 6.220 1.00 1.00 N ATOM 308 CA LYS A 21 2.475 -9.005 6.136 1.00 1.00 C ATOM 309 C LYS A 21 2.898 -9.067 4.677 1.00 1.00 C ATOM 310 O LYS A 21 3.942 -8.520 4.310 1.00 1.00 O ATOM 311 CB LYS A 21 2.427 -10.407 6.736 1.00 1.00 C ATOM 312 CG LYS A 21 3.804 -10.955 7.132 1.00 1.00 C ATOM 313 CD LYS A 21 3.680 -12.323 7.817 1.00 1.00 C ATOM 314 CE LYS A 21 2.847 -12.256 9.099 1.00 1.00 C ATOM 315 NZ LYS A 21 2.684 -13.581 9.707 1.00 1.00 N ATOM 0 H LYS A 21 0.437 -9.103 6.575 1.00 1.00 H new ATOM 0 HA LYS A 21 3.194 -8.391 6.678 1.00 1.00 H new ATOM 0 HB2 LYS A 21 1.784 -10.394 7.616 1.00 1.00 H new ATOM 0 HB3 LYS A 21 1.969 -11.085 6.016 1.00 1.00 H new ATOM 0 HG2 LYS A 21 4.432 -11.045 6.245 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.299 -10.253 7.803 1.00 1.00 H new ATOM 0 HD2 LYS A 21 3.224 -13.033 7.127 1.00 1.00 H new ATOM 0 HD3 LYS A 21 4.675 -12.701 8.052 1.00 1.00 H new ATOM 0 HE2 LYS A 21 3.327 -11.585 9.811 1.00 1.00 H new ATOM 0 HE3 LYS A 21 1.867 -11.835 8.875 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 2.115 -13.498 10.573 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 2.203 -14.214 9.036 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 3.618 -13.972 9.943 1.00 1.00 H new ATOM 329 N LYS A 22 2.075 -9.723 3.850 1.00 1.00 N ATOM 330 CA LYS A 22 2.296 -9.810 2.415 1.00 1.00 C ATOM 331 C LYS A 22 2.473 -8.398 1.852 1.00 1.00 C ATOM 332 O LYS A 22 3.459 -8.170 1.162 1.00 1.00 O ATOM 333 CB LYS A 22 1.145 -10.594 1.756 1.00 1.00 C ATOM 334 CG LYS A 22 1.239 -12.120 1.854 1.00 1.00 C ATOM 335 CD LYS A 22 2.290 -12.697 0.899 1.00 1.00 C ATOM 336 CE LYS A 22 2.192 -14.224 0.866 1.00 1.00 C ATOM 337 NZ LYS A 22 3.497 -14.842 0.572 1.00 1.00 N ATOM 0 H LYS A 22 1.235 -10.208 4.166 1.00 1.00 H new ATOM 0 HA LYS A 22 3.209 -10.362 2.192 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.207 -10.276 2.210 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.098 -10.318 0.703 1.00 1.00 H new ATOM 0 HG2 LYS A 22 1.486 -12.402 2.877 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.266 -12.558 1.629 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.142 -12.294 -0.103 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.287 -12.396 1.219 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.824 -14.587 1.826 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.466 -14.527 0.111 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 3.396 -15.877 0.557 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 3.836 -14.514 -0.355 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 4.182 -14.572 1.306 1.00 1.00 H new ATOM 351 N PHE A 23 1.605 -7.442 2.191 1.00 1.00 N ATOM 352 CA PHE A 23 1.679 -6.053 1.744 1.00 1.00 C ATOM 353 C PHE A 23 3.027 -5.448 2.119 1.00 1.00 C ATOM 354 O PHE A 23 3.789 -5.034 1.248 1.00 1.00 O ATOM 355 CB PHE A 23 0.520 -5.246 2.354 1.00 1.00 C ATOM 356 CG PHE A 23 0.427 -3.785 1.937 1.00 1.00 C ATOM 357 CD1 PHE A 23 0.281 -3.438 0.579 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.440 -2.765 2.908 1.00 1.00 C ATOM 359 CE1 PHE A 23 0.176 -2.089 0.193 1.00 1.00 C ATOM 360 CE2 PHE A 23 0.296 -1.420 2.522 1.00 1.00 C ATOM 361 CZ PHE A 23 0.182 -1.078 1.165 1.00 1.00 C ATOM 0 H PHE A 23 0.808 -7.621 2.802 1.00 1.00 H new ATOM 0 HA PHE A 23 1.587 -6.020 0.658 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.416 -5.738 2.090 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.607 -5.288 3.440 1.00 1.00 H new ATOM 0 HD1 PHE A 23 0.249 -4.214 -0.172 1.00 1.00 H new ATOM 0 HD2 PHE A 23 0.561 -3.016 3.951 1.00 1.00 H new ATOM 0 HE1 PHE A 23 0.091 -1.832 -0.852 1.00 1.00 H new ATOM 0 HE2 PHE A 23 0.273 -0.645 3.274 1.00 1.00 H new ATOM 0 HZ PHE A 23 0.099 -0.042 0.871 1.00 1.00 H new ATOM 371 N LYS A 24 3.337 -5.405 3.414 1.00 1.00 N ATOM 372 CA LYS A 24 4.527 -4.777 3.964 1.00 1.00 C ATOM 373 C LYS A 24 5.824 -5.375 3.406 1.00 1.00 C ATOM 374 O LYS A 24 6.825 -4.665 3.358 1.00 1.00 O ATOM 375 CB LYS A 24 4.416 -4.789 5.496 1.00 1.00 C ATOM 376 CG LYS A 24 3.289 -3.867 6.035 1.00 1.00 C ATOM 377 CD LYS A 24 3.081 -4.068 7.546 1.00 1.00 C ATOM 378 CE LYS A 24 2.048 -3.109 8.159 1.00 1.00 C ATOM 379 NZ LYS A 24 2.019 -3.224 9.634 1.00 1.00 N ATOM 0 H LYS A 24 2.743 -5.822 4.130 1.00 1.00 H new ATOM 0 HA LYS A 24 4.583 -3.737 3.644 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.234 -5.810 5.833 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.368 -4.477 5.925 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.541 -2.825 5.835 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.359 -4.077 5.506 1.00 1.00 H new ATOM 0 HD2 LYS A 24 2.763 -5.095 7.727 1.00 1.00 H new ATOM 0 HD3 LYS A 24 4.035 -3.935 8.056 1.00 1.00 H new ATOM 0 HE2 LYS A 24 2.287 -2.084 7.876 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.060 -3.329 7.755 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.059 -3.478 9.944 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 2.687 -3.961 9.938 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 2.290 -2.314 10.059 1.00 1.00 H new ATOM 393 N LEU A 25 5.841 -6.638 2.969 1.00 1.00 N ATOM 394 CA LEU A 25 7.000 -7.239 2.317 1.00 1.00 C ATOM 395 C LEU A 25 6.985 -6.970 0.817 1.00 1.00 C ATOM 396 O LEU A 25 8.021 -6.564 0.293 1.00 1.00 O ATOM 397 CB LEU A 25 7.063 -8.750 2.606 1.00 1.00 C ATOM 398 CG LEU A 25 7.682 -9.050 3.985 1.00 1.00 C ATOM 399 CD1 LEU A 25 7.198 -10.387 4.551 1.00 1.00 C ATOM 400 CD2 LEU A 25 9.214 -9.077 3.876 1.00 1.00 C ATOM 0 H LEU A 25 5.047 -7.271 3.060 1.00 1.00 H new ATOM 0 HA LEU A 25 7.897 -6.777 2.728 1.00 1.00 H new ATOM 0 HB2 LEU A 25 6.058 -9.170 2.561 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.649 -9.243 1.831 1.00 1.00 H new ATOM 0 HG LEU A 25 7.364 -8.258 4.663 1.00 1.00 H new ATOM 0 HD11 LEU A 25 7.659 -10.559 5.524 1.00 1.00 H new ATOM 0 HD12 LEU A 25 6.114 -10.364 4.662 1.00 1.00 H new ATOM 0 HD13 LEU A 25 7.476 -11.192 3.871 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.645 -9.290 4.854 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.515 -9.852 3.171 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.571 -8.109 3.525 1.00 1.00 H new ATOM 412 N LYS A 26 5.861 -7.168 0.114 1.00 1.00 N ATOM 413 CA LYS A 26 5.742 -6.910 -1.325 1.00 1.00 C ATOM 414 C LYS A 26 6.063 -5.451 -1.642 1.00 1.00 C ATOM 415 O LYS A 26 6.684 -5.189 -2.677 1.00 1.00 O ATOM 416 CB LYS A 26 4.347 -7.295 -1.850 1.00 1.00 C ATOM 417 CG LYS A 26 4.068 -8.804 -1.938 1.00 1.00 C ATOM 418 CD LYS A 26 4.898 -9.493 -3.028 1.00 1.00 C ATOM 419 CE LYS A 26 4.407 -10.928 -3.239 1.00 1.00 C ATOM 420 NZ LYS A 26 5.235 -11.654 -4.222 1.00 1.00 N ATOM 0 H LYS A 26 5.000 -7.516 0.535 1.00 1.00 H new ATOM 0 HA LYS A 26 6.471 -7.538 -1.838 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.596 -6.841 -1.203 1.00 1.00 H new ATOM 0 HB3 LYS A 26 4.218 -6.861 -2.841 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.284 -9.267 -0.975 1.00 1.00 H new ATOM 0 HG3 LYS A 26 3.008 -8.963 -2.138 1.00 1.00 H new ATOM 0 HD2 LYS A 26 4.822 -8.934 -3.961 1.00 1.00 H new ATOM 0 HD3 LYS A 26 5.950 -9.499 -2.745 1.00 1.00 H new ATOM 0 HE2 LYS A 26 4.422 -11.460 -2.288 1.00 1.00 H new ATOM 0 HE3 LYS A 26 3.371 -10.911 -3.579 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 4.870 -12.621 -4.336 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 5.201 -11.160 -5.137 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 6.219 -11.693 -3.886 1.00 1.00 H new ATOM 434 N LEU A 27 5.710 -4.514 -0.751 1.00 1.00 N ATOM 435 CA LEU A 27 6.052 -3.096 -0.854 1.00 1.00 C ATOM 436 C LEU A 27 7.543 -2.859 -1.043 1.00 1.00 C ATOM 437 O LEU A 27 7.922 -1.827 -1.592 1.00 1.00 O ATOM 438 CB LEU A 27 5.633 -2.330 0.422 1.00 1.00 C ATOM 439 CG LEU A 27 4.159 -1.916 0.496 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.719 -1.506 1.903 1.00 1.00 C ATOM 441 CD2 LEU A 27 3.973 -0.668 -0.357 1.00 1.00 C ATOM 0 H LEU A 27 5.164 -4.732 0.083 1.00 1.00 H new ATOM 0 HA LEU A 27 5.513 -2.735 -1.730 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.860 -2.952 1.288 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.247 -1.433 0.503 1.00 1.00 H new ATOM 0 HG LEU A 27 3.577 -2.777 0.168 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.666 -1.224 1.887 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.861 -2.343 2.587 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.316 -0.658 2.238 1.00 1.00 H new ATOM 0 HD21 LEU A 27 2.930 -0.354 -0.320 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.607 0.132 0.026 1.00 1.00 H new ATOM 0 HD23 LEU A 27 4.249 -0.888 -1.388 1.00 1.00 H new ATOM 453 N LEU A 28 8.382 -3.794 -0.593 1.00 1.00 N ATOM 454 CA LEU A 28 9.823 -3.634 -0.607 1.00 1.00 C ATOM 455 C LEU A 28 10.510 -4.897 -1.133 1.00 1.00 C ATOM 456 O LEU A 28 11.671 -5.154 -0.820 1.00 1.00 O ATOM 457 CB LEU A 28 10.218 -3.247 0.829 1.00 1.00 C ATOM 458 CG LEU A 28 11.577 -2.528 1.002 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.537 -3.281 1.928 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.305 -2.059 -0.269 1.00 1.00 C ATOM 0 H LEU A 28 8.071 -4.686 -0.208 1.00 1.00 H new ATOM 0 HA LEU A 28 10.153 -2.853 -1.292 1.00 1.00 H new ATOM 0 HB2 LEU A 28 9.438 -2.604 1.236 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.232 -4.153 1.435 1.00 1.00 H new ATOM 0 HG LEU A 28 11.261 -1.600 1.478 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.473 -2.728 2.010 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.087 -3.381 2.916 1.00 1.00 H new ATOM 0 HD13 LEU A 28 12.736 -4.271 1.518 1.00 1.00 H new ATOM 0 HD21 LEU A 28 13.241 -1.573 0.006 1.00 1.00 H new ATOM 0 HD22 LEU A 28 12.515 -2.918 -0.906 1.00 1.00 H new ATOM 0 HD23 LEU A 28 11.675 -1.353 -0.809 1.00 1.00 H new ATOM 472 N SER A 29 9.797 -5.700 -1.927 1.00 1.00 N ATOM 473 CA SER A 29 10.321 -6.916 -2.530 1.00 1.00 C ATOM 474 C SER A 29 10.740 -6.626 -3.966 1.00 1.00 C ATOM 475 O SER A 29 11.871 -6.922 -4.361 1.00 1.00 O ATOM 476 CB SER A 29 9.262 -8.014 -2.463 1.00 1.00 C ATOM 477 OG SER A 29 9.812 -9.232 -2.920 1.00 1.00 O ATOM 0 H SER A 29 8.824 -5.515 -2.169 1.00 1.00 H new ATOM 0 HA SER A 29 11.199 -7.262 -1.984 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.904 -8.126 -1.439 1.00 1.00 H new ATOM 0 HB3 SER A 29 8.401 -7.741 -3.073 1.00 1.00 H new ATOM 0 HG SER A 29 9.131 -9.936 -2.875 1.00 1.00 H new ATOM 483 N VAL A 30 9.849 -6.040 -4.760 1.00 1.00 N ATOM 484 CA VAL A 30 10.171 -5.627 -6.114 1.00 1.00 C ATOM 485 C VAL A 30 10.997 -4.334 -6.038 1.00 1.00 C ATOM 486 O VAL A 30 10.728 -3.497 -5.168 1.00 1.00 O ATOM 487 CB VAL A 30 8.854 -5.488 -6.905 1.00 1.00 C ATOM 488 CG1 VAL A 30 7.907 -4.404 -6.365 1.00 1.00 C ATOM 489 CG2 VAL A 30 9.099 -5.270 -8.398 1.00 1.00 C ATOM 0 H VAL A 30 8.888 -5.840 -4.481 1.00 1.00 H new ATOM 0 HA VAL A 30 10.779 -6.359 -6.645 1.00 1.00 H new ATOM 0 HB VAL A 30 8.351 -6.445 -6.763 1.00 1.00 H new ATOM 0 HG11 VAL A 30 7.005 -4.371 -6.977 1.00 1.00 H new ATOM 0 HG12 VAL A 30 7.638 -4.636 -5.335 1.00 1.00 H new ATOM 0 HG13 VAL A 30 8.405 -3.435 -6.400 1.00 1.00 H new ATOM 0 HG21 VAL A 30 8.143 -5.178 -8.914 1.00 1.00 H new ATOM 0 HG22 VAL A 30 9.679 -4.358 -8.542 1.00 1.00 H new ATOM 0 HG23 VAL A 30 9.650 -6.118 -8.804 1.00 1.00 H new ATOM 499 N PRO A 31 12.045 -4.154 -6.860 1.00 1.00 N ATOM 500 CA PRO A 31 12.768 -2.896 -6.893 1.00 1.00 C ATOM 501 C PRO A 31 11.851 -1.893 -7.603 1.00 1.00 C ATOM 502 O PRO A 31 11.429 -2.115 -8.747 1.00 1.00 O ATOM 503 CB PRO A 31 14.084 -3.175 -7.620 1.00 1.00 C ATOM 504 CG PRO A 31 13.761 -4.372 -8.505 1.00 1.00 C ATOM 505 CD PRO A 31 12.673 -5.130 -7.740 1.00 1.00 C ATOM 0 HA PRO A 31 13.019 -2.476 -5.919 1.00 1.00 H new ATOM 0 HB2 PRO A 31 14.406 -2.316 -8.209 1.00 1.00 H new ATOM 0 HB3 PRO A 31 14.888 -3.400 -6.920 1.00 1.00 H new ATOM 0 HG2 PRO A 31 13.409 -4.056 -9.487 1.00 1.00 H new ATOM 0 HG3 PRO A 31 14.640 -4.995 -8.667 1.00 1.00 H new ATOM 0 HD2 PRO A 31 11.944 -5.563 -8.425 1.00 1.00 H new ATOM 0 HD3 PRO A 31 13.100 -5.953 -7.167 1.00 1.00 H new ATOM 513 N LEU A 32 11.510 -0.804 -6.915 1.00 1.00 N ATOM 514 CA LEU A 32 10.568 0.203 -7.396 1.00 1.00 C ATOM 515 C LEU A 32 11.349 1.168 -8.310 1.00 1.00 C ATOM 516 O LEU A 32 12.577 1.059 -8.420 1.00 1.00 O ATOM 517 CB LEU A 32 9.959 0.930 -6.175 1.00 1.00 C ATOM 518 CG LEU A 32 8.610 1.627 -6.465 1.00 1.00 C ATOM 519 CD1 LEU A 32 7.447 0.652 -6.243 1.00 1.00 C ATOM 520 CD2 LEU A 32 8.399 2.847 -5.569 1.00 1.00 C ATOM 0 H LEU A 32 11.888 -0.594 -5.991 1.00 1.00 H new ATOM 0 HA LEU A 32 9.749 -0.237 -7.965 1.00 1.00 H new ATOM 0 HB2 LEU A 32 9.818 0.209 -5.370 1.00 1.00 H new ATOM 0 HB3 LEU A 32 10.670 1.674 -5.816 1.00 1.00 H new ATOM 0 HG LEU A 32 8.637 1.953 -7.505 1.00 1.00 H new ATOM 0 HD11 LEU A 32 6.504 1.157 -6.451 1.00 1.00 H new ATOM 0 HD12 LEU A 32 7.556 -0.202 -6.911 1.00 1.00 H new ATOM 0 HD13 LEU A 32 7.453 0.307 -5.209 1.00 1.00 H new ATOM 0 HD21 LEU A 32 7.440 3.309 -5.803 1.00 1.00 H new ATOM 0 HD22 LEU A 32 8.406 2.537 -4.524 1.00 1.00 H new ATOM 0 HD23 LEU A 32 9.200 3.567 -5.740 1.00 1.00 H new ATOM 532 N ARG A 33 10.668 2.099 -8.982 1.00 1.00 N ATOM 533 CA ARG A 33 11.294 3.082 -9.873 1.00 1.00 C ATOM 534 C ARG A 33 12.021 4.137 -9.035 1.00 1.00 C ATOM 535 O ARG A 33 11.691 4.325 -7.864 1.00 1.00 O ATOM 536 CB ARG A 33 10.196 3.754 -10.723 1.00 1.00 C ATOM 537 CG ARG A 33 9.599 2.826 -11.796 1.00 1.00 C ATOM 538 CD ARG A 33 8.285 3.402 -12.339 1.00 1.00 C ATOM 539 NE ARG A 33 7.750 2.633 -13.477 1.00 1.00 N ATOM 540 CZ ARG A 33 7.756 2.981 -14.771 1.00 1.00 C ATOM 541 NH1 ARG A 33 8.350 4.089 -15.195 1.00 1.00 N ATOM 542 NH2 ARG A 33 7.151 2.196 -15.650 1.00 1.00 N ATOM 0 H ARG A 33 9.654 2.194 -8.923 1.00 1.00 H new ATOM 0 HA ARG A 33 12.013 2.589 -10.527 1.00 1.00 H new ATOM 0 HB2 ARG A 33 9.397 4.098 -10.066 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.612 4.637 -11.208 1.00 1.00 H new ATOM 0 HG2 ARG A 33 10.311 2.699 -12.612 1.00 1.00 H new ATOM 0 HG3 ARG A 33 9.421 1.838 -11.372 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.544 3.421 -11.539 1.00 1.00 H new ATOM 0 HD3 ARG A 33 8.447 4.435 -12.648 1.00 1.00 H new ATOM 0 HE ARG A 33 7.326 1.732 -13.254 1.00 1.00 H new ATOM 0 HH11 ARG A 33 8.819 4.703 -14.529 1.00 1.00 H new ATOM 0 HH12 ARG A 33 8.337 4.327 -16.187 1.00 1.00 H new ATOM 0 HH21 ARG A 33 6.690 1.341 -15.338 1.00 1.00 H new ATOM 0 HH22 ARG A 33 7.146 2.446 -16.639 1.00 1.00 H new ATOM 556 N GLU A 34 12.970 4.861 -9.631 1.00 1.00 N ATOM 557 CA GLU A 34 13.680 5.963 -8.976 1.00 1.00 C ATOM 558 C GLU A 34 12.818 7.230 -9.100 1.00 1.00 C ATOM 559 O GLU A 34 11.825 7.253 -9.836 1.00 1.00 O ATOM 560 CB GLU A 34 15.084 6.098 -9.602 1.00 1.00 C ATOM 561 CG GLU A 34 16.020 7.139 -8.957 1.00 1.00 C ATOM 562 CD GLU A 34 16.285 6.893 -7.469 1.00 1.00 C ATOM 563 OE1 GLU A 34 15.460 7.316 -6.622 1.00 1.00 O ATOM 564 OE2 GLU A 34 17.324 6.282 -7.123 1.00 1.00 O ATOM 0 H GLU A 34 13.271 4.698 -10.592 1.00 1.00 H new ATOM 0 HA GLU A 34 13.834 5.781 -7.912 1.00 1.00 H new ATOM 0 HB2 GLU A 34 15.573 5.125 -9.559 1.00 1.00 H new ATOM 0 HB3 GLU A 34 14.966 6.350 -10.656 1.00 1.00 H new ATOM 0 HG2 GLU A 34 16.970 7.139 -9.491 1.00 1.00 H new ATOM 0 HG3 GLU A 34 15.585 8.131 -9.080 1.00 1.00 H new ATOM 571 N GLY A 35 13.138 8.272 -8.335 1.00 1.00 N ATOM 572 CA GLY A 35 12.357 9.508 -8.247 1.00 1.00 C ATOM 573 C GLY A 35 11.362 9.383 -7.090 1.00 1.00 C ATOM 574 O GLY A 35 11.065 10.351 -6.384 1.00 1.00 O ATOM 0 H GLY A 35 13.969 8.282 -7.743 1.00 1.00 H new ATOM 0 HA2 GLY A 35 13.017 10.361 -8.087 1.00 1.00 H new ATOM 0 HA3 GLY A 35 11.827 9.687 -9.183 1.00 1.00 H new ATOM 578 N TYR A 36 10.868 8.160 -6.897 1.00 1.00 N ATOM 579 CA TYR A 36 10.009 7.728 -5.819 1.00 1.00 C ATOM 580 C TYR A 36 10.885 6.897 -4.882 1.00 1.00 C ATOM 581 O TYR A 36 11.947 6.411 -5.284 1.00 1.00 O ATOM 582 CB TYR A 36 8.839 6.919 -6.387 1.00 1.00 C ATOM 583 CG TYR A 36 7.832 7.741 -7.169 1.00 1.00 C ATOM 584 CD1 TYR A 36 7.254 8.886 -6.588 1.00 1.00 C ATOM 585 CD2 TYR A 36 7.425 7.331 -8.452 1.00 1.00 C ATOM 586 CE1 TYR A 36 6.281 9.618 -7.287 1.00 1.00 C ATOM 587 CE2 TYR A 36 6.438 8.052 -9.146 1.00 1.00 C ATOM 588 CZ TYR A 36 5.848 9.190 -8.557 1.00 1.00 C ATOM 589 OH TYR A 36 4.847 9.859 -9.184 1.00 1.00 O ATOM 0 H TYR A 36 11.079 7.398 -7.542 1.00 1.00 H new ATOM 0 HA TYR A 36 9.572 8.564 -5.274 1.00 1.00 H new ATOM 0 HB2 TYR A 36 9.234 6.137 -7.036 1.00 1.00 H new ATOM 0 HB3 TYR A 36 8.324 6.421 -5.565 1.00 1.00 H new ATOM 0 HD1 TYR A 36 7.560 9.202 -5.602 1.00 1.00 H new ATOM 0 HD2 TYR A 36 7.873 6.459 -8.905 1.00 1.00 H new ATOM 0 HE1 TYR A 36 5.863 10.512 -6.849 1.00 1.00 H new ATOM 0 HE2 TYR A 36 6.131 7.734 -10.131 1.00 1.00 H new ATOM 0 HH TYR A 36 4.666 9.440 -10.051 1.00 1.00 H new ATOM 599 N GLY A 37 10.455 6.696 -3.642 1.00 1.00 N ATOM 600 CA GLY A 37 11.247 6.016 -2.620 1.00 1.00 C ATOM 601 C GLY A 37 10.766 4.603 -2.345 1.00 1.00 C ATOM 602 O GLY A 37 9.905 4.075 -3.045 1.00 1.00 O ATOM 0 H GLY A 37 9.539 7.002 -3.313 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.290 5.985 -2.936 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.211 6.593 -1.696 1.00 1.00 H new ATOM 606 N ARG A 38 11.312 3.991 -1.296 1.00 1.00 N ATOM 607 CA ARG A 38 10.935 2.685 -0.769 1.00 1.00 C ATOM 608 C ARG A 38 10.914 2.806 0.745 1.00 1.00 C ATOM 609 O ARG A 38 11.908 3.241 1.331 1.00 1.00 O ATOM 610 CB ARG A 38 11.926 1.601 -1.218 1.00 1.00 C ATOM 611 CG ARG A 38 11.649 1.086 -2.643 1.00 1.00 C ATOM 612 CD ARG A 38 12.934 0.635 -3.338 1.00 1.00 C ATOM 613 NE ARG A 38 13.666 1.805 -3.847 1.00 1.00 N ATOM 614 CZ ARG A 38 14.977 2.054 -3.794 1.00 1.00 C ATOM 615 NH1 ARG A 38 15.844 1.121 -3.431 1.00 1.00 N ATOM 616 NH2 ARG A 38 15.413 3.268 -4.103 1.00 1.00 N ATOM 0 H ARG A 38 12.070 4.418 -0.764 1.00 1.00 H new ATOM 0 HA ARG A 38 9.956 2.388 -1.146 1.00 1.00 H new ATOM 0 HB2 ARG A 38 12.939 2.001 -1.173 1.00 1.00 H new ATOM 0 HB3 ARG A 38 11.882 0.765 -0.520 1.00 1.00 H new ATOM 0 HG2 ARG A 38 10.947 0.254 -2.600 1.00 1.00 H new ATOM 0 HG3 ARG A 38 11.175 1.873 -3.229 1.00 1.00 H new ATOM 0 HD2 ARG A 38 13.560 0.080 -2.639 1.00 1.00 H new ATOM 0 HD3 ARG A 38 12.695 -0.041 -4.159 1.00 1.00 H new ATOM 0 HE ARG A 38 13.097 2.520 -4.300 1.00 1.00 H new ATOM 0 HH11 ARG A 38 15.515 0.188 -3.184 1.00 1.00 H new ATOM 0 HH12 ARG A 38 16.841 1.336 -3.398 1.00 1.00 H new ATOM 0 HH21 ARG A 38 14.750 3.994 -4.376 1.00 1.00 H new ATOM 0 HH22 ARG A 38 16.411 3.476 -4.068 1.00 1.00 H new ATOM 630 N ILE A 39 9.777 2.505 1.367 1.00 1.00 N ATOM 631 CA ILE A 39 9.660 2.470 2.819 1.00 1.00 C ATOM 632 C ILE A 39 10.156 1.054 3.169 1.00 1.00 C ATOM 633 O ILE A 39 9.618 0.094 2.611 1.00 1.00 O ATOM 634 CB ILE A 39 8.201 2.727 3.276 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.568 3.987 2.629 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.181 2.873 4.810 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.045 4.079 2.813 1.00 1.00 C ATOM 0 H ILE A 39 8.912 2.279 0.877 1.00 1.00 H new ATOM 0 HA ILE A 39 10.234 3.247 3.324 1.00 1.00 H new ATOM 0 HB ILE A 39 7.604 1.876 2.950 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.031 4.876 3.058 1.00 1.00 H new ATOM 0 HG13 ILE A 39 7.797 3.991 1.563 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.160 3.054 5.145 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.556 1.957 5.268 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.813 3.711 5.104 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.675 4.986 2.334 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.570 3.209 2.359 1.00 1.00 H new ATOM 0 HD13 ILE A 39 5.808 4.108 3.877 1.00 1.00 H new ATOM 649 N PRO A 40 11.202 0.878 3.993 1.00 1.00 N ATOM 650 CA PRO A 40 11.766 -0.439 4.260 1.00 1.00 C ATOM 651 C PRO A 40 10.821 -1.283 5.120 1.00 1.00 C ATOM 652 O PRO A 40 10.005 -0.752 5.878 1.00 1.00 O ATOM 653 CB PRO A 40 13.107 -0.178 4.934 1.00 1.00 C ATOM 654 CG PRO A 40 12.832 1.112 5.690 1.00 1.00 C ATOM 655 CD PRO A 40 11.931 1.892 4.731 1.00 1.00 C ATOM 0 HA PRO A 40 11.904 -1.021 3.349 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.393 -0.990 5.602 1.00 1.00 H new ATOM 0 HB3 PRO A 40 13.913 -0.063 4.209 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.338 0.923 6.643 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.752 1.654 5.910 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.252 2.550 5.274 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.518 2.522 4.062 1.00 1.00 H new ATOM 663 N ARG A 41 10.971 -2.608 5.060 1.00 1.00 N ATOM 664 CA ARG A 41 10.067 -3.529 5.743 1.00 1.00 C ATOM 665 C ARG A 41 10.124 -3.361 7.259 1.00 1.00 C ATOM 666 O ARG A 41 9.092 -3.515 7.902 1.00 1.00 O ATOM 667 CB ARG A 41 10.350 -4.974 5.314 1.00 1.00 C ATOM 668 CG ARG A 41 9.260 -5.965 5.757 1.00 1.00 C ATOM 669 CD ARG A 41 9.746 -7.134 6.632 1.00 1.00 C ATOM 670 NE ARG A 41 10.023 -6.779 8.037 1.00 1.00 N ATOM 671 CZ ARG A 41 11.186 -6.447 8.616 1.00 1.00 C ATOM 672 NH1 ARG A 41 12.310 -6.310 7.925 1.00 1.00 N ATOM 673 NH2 ARG A 41 11.246 -6.237 9.923 1.00 1.00 N ATOM 0 H ARG A 41 11.718 -3.068 4.540 1.00 1.00 H new ATOM 0 HA ARG A 41 9.047 -3.285 5.445 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.446 -5.011 4.229 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.307 -5.288 5.730 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.495 -5.416 6.306 1.00 1.00 H new ATOM 0 HG3 ARG A 41 8.781 -6.374 4.867 1.00 1.00 H new ATOM 0 HD2 ARG A 41 8.993 -7.922 6.612 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.653 -7.548 6.191 1.00 1.00 H new ATOM 0 HE ARG A 41 9.213 -6.787 8.657 1.00 1.00 H new ATOM 0 HH11 ARG A 41 12.310 -6.458 6.916 1.00 1.00 H new ATOM 0 HH12 ARG A 41 13.175 -6.056 8.403 1.00 1.00 H new ATOM 0 HH21 ARG A 41 10.405 -6.328 10.493 1.00 1.00 H new ATOM 0 HH22 ARG A 41 12.133 -5.985 10.359 1.00 1.00 H new ATOM 687 N GLY A 42 11.282 -3.022 7.834 1.00 1.00 N ATOM 688 CA GLY A 42 11.383 -2.746 9.262 1.00 1.00 C ATOM 689 C GLY A 42 10.415 -1.637 9.666 1.00 1.00 C ATOM 690 O GLY A 42 9.621 -1.807 10.592 1.00 1.00 O ATOM 0 H GLY A 42 12.162 -2.933 7.327 1.00 1.00 H new ATOM 0 HA2 GLY A 42 11.164 -3.651 9.829 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.403 -2.453 9.510 1.00 1.00 H new ATOM 694 N ALA A 43 10.461 -0.513 8.945 1.00 1.00 N ATOM 695 CA ALA A 43 9.591 0.623 9.189 1.00 1.00 C ATOM 696 C ALA A 43 8.139 0.216 8.955 1.00 1.00 C ATOM 697 O ALA A 43 7.289 0.485 9.795 1.00 1.00 O ATOM 698 CB ALA A 43 9.989 1.800 8.294 1.00 1.00 C ATOM 0 H ALA A 43 11.111 -0.373 8.171 1.00 1.00 H new ATOM 0 HA ALA A 43 9.696 0.944 10.225 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.328 2.645 8.488 1.00 1.00 H new ATOM 0 HB2 ALA A 43 11.018 2.088 8.508 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.905 1.506 7.248 1.00 1.00 H new ATOM 704 N LEU A 44 7.855 -0.450 7.834 1.00 1.00 N ATOM 705 CA LEU A 44 6.502 -0.854 7.475 1.00 1.00 C ATOM 706 C LEU A 44 5.872 -1.752 8.536 1.00 1.00 C ATOM 707 O LEU A 44 4.685 -1.594 8.813 1.00 1.00 O ATOM 708 CB LEU A 44 6.492 -1.542 6.105 1.00 1.00 C ATOM 709 CG LEU A 44 6.683 -0.586 4.916 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.856 -1.410 3.641 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.482 0.359 4.755 1.00 1.00 C ATOM 0 H LEU A 44 8.561 -0.723 7.151 1.00 1.00 H new ATOM 0 HA LEU A 44 5.896 0.050 7.418 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.282 -2.293 6.083 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.546 -2.070 5.983 1.00 1.00 H new ATOM 0 HG LEU A 44 7.568 0.023 5.101 1.00 1.00 H new ATOM 0 HD11 LEU A 44 6.992 -0.741 2.791 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.730 -2.054 3.740 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.969 -2.024 3.481 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.651 1.021 3.905 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.579 -0.227 4.585 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.363 0.954 5.660 1.00 1.00 H new ATOM 723 N LEU A 45 6.625 -2.697 9.106 1.00 1.00 N ATOM 724 CA LEU A 45 6.151 -3.530 10.208 1.00 1.00 C ATOM 725 C LEU A 45 5.905 -2.700 11.454 1.00 1.00 C ATOM 726 O LEU A 45 4.844 -2.878 12.048 1.00 1.00 O ATOM 727 CB LEU A 45 7.065 -4.726 10.527 1.00 1.00 C ATOM 728 CG LEU A 45 6.920 -5.997 9.664 1.00 1.00 C ATOM 729 CD1 LEU A 45 5.923 -6.959 10.322 1.00 1.00 C ATOM 730 CD2 LEU A 45 6.471 -5.803 8.215 1.00 1.00 C ATOM 0 H LEU A 45 7.580 -2.904 8.814 1.00 1.00 H new ATOM 0 HA LEU A 45 5.207 -3.954 9.866 1.00 1.00 H new ATOM 0 HB2 LEU A 45 8.098 -4.387 10.451 1.00 1.00 H new ATOM 0 HB3 LEU A 45 6.897 -5.007 11.567 1.00 1.00 H new ATOM 0 HG LEU A 45 7.938 -6.384 9.615 1.00 1.00 H new ATOM 0 HD11 LEU A 45 5.824 -7.855 9.709 1.00 1.00 H new ATOM 0 HD12 LEU A 45 6.284 -7.235 11.313 1.00 1.00 H new ATOM 0 HD13 LEU A 45 4.952 -6.471 10.412 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.409 -6.772 7.720 1.00 1.00 H new ATOM 0 HD22 LEU A 45 5.492 -5.324 8.198 1.00 1.00 H new ATOM 0 HD23 LEU A 45 7.191 -5.174 7.692 1.00 1.00 H new ATOM 742 N SER A 46 6.826 -1.826 11.877 1.00 1.00 N ATOM 743 CA SER A 46 6.566 -1.005 13.046 1.00 1.00 C ATOM 744 C SER A 46 5.450 0.026 12.803 1.00 1.00 C ATOM 745 O SER A 46 4.935 0.601 13.755 1.00 1.00 O ATOM 746 CB SER A 46 7.880 -0.393 13.524 1.00 1.00 C ATOM 747 OG SER A 46 8.595 0.297 12.515 1.00 1.00 O ATOM 0 H SER A 46 7.733 -1.677 11.435 1.00 1.00 H new ATOM 0 HA SER A 46 6.177 -1.630 13.850 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.671 0.296 14.343 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.512 -1.184 13.926 1.00 1.00 H new ATOM 0 HG SER A 46 8.037 0.374 11.713 1.00 1.00 H new ATOM 753 N MET A 47 5.085 0.299 11.549 1.00 1.00 N ATOM 754 CA MET A 47 3.976 1.161 11.185 1.00 1.00 C ATOM 755 C MET A 47 2.694 0.319 11.151 1.00 1.00 C ATOM 756 O MET A 47 2.713 -0.914 11.110 1.00 1.00 O ATOM 757 CB MET A 47 4.246 1.789 9.809 1.00 1.00 C ATOM 758 CG MET A 47 5.305 2.904 9.845 1.00 1.00 C ATOM 759 SD MET A 47 6.041 3.335 8.234 1.00 1.00 S ATOM 760 CE MET A 47 4.546 3.565 7.242 1.00 1.00 C ATOM 0 H MET A 47 5.572 -0.088 10.741 1.00 1.00 H new ATOM 0 HA MET A 47 3.862 1.963 11.914 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.572 1.010 9.120 1.00 1.00 H new ATOM 0 HB3 MET A 47 3.315 2.195 9.414 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.851 3.800 10.269 1.00 1.00 H new ATOM 0 HG3 MET A 47 6.104 2.601 10.521 1.00 1.00 H new ATOM 0 HE1 MET A 47 4.823 3.834 6.223 1.00 1.00 H new ATOM 0 HE2 MET A 47 3.972 2.639 7.229 1.00 1.00 H new ATOM 0 HE3 MET A 47 3.941 4.361 7.676 1.00 1.00 H new ATOM 770 N ASP A 48 1.558 1.001 11.124 1.00 1.00 N ATOM 771 CA ASP A 48 0.212 0.467 10.990 1.00 1.00 C ATOM 772 C ASP A 48 -0.481 1.170 9.834 1.00 1.00 C ATOM 773 O ASP A 48 0.162 1.805 9.000 1.00 1.00 O ATOM 774 CB ASP A 48 -0.562 0.620 12.301 1.00 1.00 C ATOM 775 CG ASP A 48 -0.616 2.053 12.826 1.00 1.00 C ATOM 776 OD1 ASP A 48 -1.057 2.972 12.100 1.00 1.00 O ATOM 777 OD2 ASP A 48 -0.146 2.254 13.970 1.00 1.00 O ATOM 0 H ASP A 48 1.554 2.018 11.201 1.00 1.00 H new ATOM 0 HA ASP A 48 0.254 -0.600 10.774 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.580 0.259 12.154 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.104 -0.017 13.058 1.00 1.00 H new ATOM 782 N ALA A 49 -1.791 0.982 9.744 1.00 1.00 N ATOM 783 CA ALA A 49 -2.620 1.500 8.670 1.00 1.00 C ATOM 784 C ALA A 49 -2.629 3.026 8.628 1.00 1.00 C ATOM 785 O ALA A 49 -2.471 3.623 7.561 1.00 1.00 O ATOM 786 CB ALA A 49 -4.051 1.014 8.906 1.00 1.00 C ATOM 0 H ALA A 49 -2.318 0.450 10.436 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.215 1.144 7.723 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.698 1.389 8.113 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.070 -0.076 8.905 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.406 1.382 9.868 1.00 1.00 H new ATOM 792 N LEU A 50 -2.868 3.669 9.770 1.00 1.00 N ATOM 793 CA LEU A 50 -3.004 5.115 9.818 1.00 1.00 C ATOM 794 C LEU A 50 -1.637 5.744 9.564 1.00 1.00 C ATOM 795 O LEU A 50 -1.525 6.673 8.753 1.00 1.00 O ATOM 796 CB LEU A 50 -3.684 5.506 11.132 1.00 1.00 C ATOM 797 CG LEU A 50 -4.326 6.903 11.086 1.00 1.00 C ATOM 798 CD1 LEU A 50 -5.536 6.931 12.026 1.00 1.00 C ATOM 799 CD2 LEU A 50 -3.333 8.012 11.456 1.00 1.00 C ATOM 0 H LEU A 50 -2.971 3.206 10.673 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.653 5.505 9.033 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.450 4.768 11.372 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.950 5.476 11.937 1.00 1.00 H new ATOM 0 HG LEU A 50 -4.645 7.096 10.062 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -5.996 7.919 11.998 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -6.262 6.184 11.707 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -5.212 6.710 13.043 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -3.834 8.979 11.409 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.961 7.845 12.467 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -2.498 8.001 10.756 1.00 1.00 H new ATOM 811 N ASP A 51 -0.597 5.181 10.190 1.00 1.00 N ATOM 812 CA ASP A 51 0.788 5.583 9.971 1.00 1.00 C ATOM 813 C ASP A 51 1.173 5.413 8.516 1.00 1.00 C ATOM 814 O ASP A 51 1.754 6.336 7.945 1.00 1.00 O ATOM 815 CB ASP A 51 1.794 4.818 10.843 1.00 1.00 C ATOM 816 CG ASP A 51 1.924 5.367 12.256 1.00 1.00 C ATOM 817 OD1 ASP A 51 0.965 5.952 12.797 1.00 1.00 O ATOM 818 OD2 ASP A 51 3.048 5.293 12.804 1.00 1.00 O ATOM 0 H ASP A 51 -0.699 4.426 10.869 1.00 1.00 H new ATOM 0 HA ASP A 51 0.836 6.633 10.259 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.493 3.772 10.896 1.00 1.00 H new ATOM 0 HB3 ASP A 51 2.772 4.844 10.362 1.00 1.00 H new ATOM 823 N LEU A 52 0.866 4.261 7.905 1.00 1.00 N ATOM 824 CA LEU A 52 1.122 4.047 6.492 1.00 1.00 C ATOM 825 C LEU A 52 0.404 5.115 5.702 1.00 1.00 C ATOM 826 O LEU A 52 1.063 5.723 4.881 1.00 1.00 O ATOM 827 CB LEU A 52 0.736 2.640 6.005 1.00 1.00 C ATOM 828 CG LEU A 52 0.905 2.477 4.466 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.973 1.450 4.093 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.420 2.098 3.808 1.00 1.00 C ATOM 0 H LEU A 52 0.438 3.465 8.378 1.00 1.00 H new ATOM 0 HA LEU A 52 2.198 4.119 6.333 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.352 1.900 6.516 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.299 2.436 6.278 1.00 1.00 H new ATOM 0 HG LEU A 52 1.235 3.447 4.093 1.00 1.00 H new ATOM 0 HD11 LEU A 52 2.046 1.379 3.008 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.935 1.760 4.502 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.701 0.477 4.503 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.275 1.990 2.733 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.775 1.155 4.223 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.157 2.878 3.998 1.00 1.00 H new ATOM 842 N THR A 53 -0.879 5.370 5.920 1.00 1.00 N ATOM 843 CA THR A 53 -1.615 6.319 5.101 1.00 1.00 C ATOM 844 C THR A 53 -0.911 7.681 5.094 1.00 1.00 C ATOM 845 O THR A 53 -0.593 8.174 4.009 1.00 1.00 O ATOM 846 CB THR A 53 -3.077 6.351 5.554 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.616 5.049 5.450 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.912 7.309 4.703 1.00 1.00 C ATOM 0 H THR A 53 -1.430 4.932 6.658 1.00 1.00 H new ATOM 0 HA THR A 53 -1.628 6.006 4.057 1.00 1.00 H new ATOM 0 HB THR A 53 -3.108 6.703 6.585 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.278 4.495 6.185 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.943 7.304 5.055 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.506 8.317 4.785 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.883 6.990 3.661 1.00 1.00 H new ATOM 856 N ASP A 54 -0.607 8.263 6.262 1.00 1.00 N ATOM 857 CA ASP A 54 0.171 9.509 6.288 1.00 1.00 C ATOM 858 C ASP A 54 1.537 9.370 5.617 1.00 1.00 C ATOM 859 O ASP A 54 1.933 10.246 4.841 1.00 1.00 O ATOM 860 CB ASP A 54 0.286 10.143 7.686 1.00 1.00 C ATOM 861 CG ASP A 54 -0.944 10.967 8.049 1.00 1.00 C ATOM 862 OD1 ASP A 54 -1.994 10.408 8.416 1.00 1.00 O ATOM 863 OD2 ASP A 54 -0.885 12.200 7.816 1.00 1.00 O ATOM 0 H ASP A 54 -0.879 7.904 7.177 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.412 10.209 5.689 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.427 9.358 8.429 1.00 1.00 H new ATOM 0 HB3 ASP A 54 1.171 10.779 7.723 1.00 1.00 H new ATOM 868 N LYS A 55 2.273 8.290 5.901 1.00 1.00 N ATOM 869 CA LYS A 55 3.622 8.095 5.381 1.00 1.00 C ATOM 870 C LYS A 55 3.578 7.973 3.868 1.00 1.00 C ATOM 871 O LYS A 55 4.140 8.809 3.181 1.00 1.00 O ATOM 872 CB LYS A 55 4.292 6.871 6.035 1.00 1.00 C ATOM 873 CG LYS A 55 5.778 6.695 5.656 1.00 1.00 C ATOM 874 CD LYS A 55 6.796 7.347 6.602 1.00 1.00 C ATOM 875 CE LYS A 55 6.828 8.877 6.576 1.00 1.00 C ATOM 876 NZ LYS A 55 5.789 9.484 7.424 1.00 1.00 N ATOM 0 H LYS A 55 1.947 7.530 6.498 1.00 1.00 H new ATOM 0 HA LYS A 55 4.230 8.964 5.634 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.212 6.961 7.118 1.00 1.00 H new ATOM 0 HB3 LYS A 55 3.745 5.973 5.748 1.00 1.00 H new ATOM 0 HG2 LYS A 55 5.994 5.628 5.601 1.00 1.00 H new ATOM 0 HG3 LYS A 55 5.928 7.103 4.656 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.581 7.022 7.620 1.00 1.00 H new ATOM 0 HD3 LYS A 55 7.790 6.975 6.352 1.00 1.00 H new ATOM 0 HE2 LYS A 55 7.808 9.221 6.907 1.00 1.00 H new ATOM 0 HE3 LYS A 55 6.700 9.221 5.550 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 5.282 10.213 6.883 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 5.118 8.750 7.730 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 6.232 9.918 8.259 1.00 1.00 H new ATOM 890 N LEU A 56 2.936 6.928 3.360 1.00 1.00 N ATOM 891 CA LEU A 56 2.789 6.539 1.967 1.00 1.00 C ATOM 892 C LEU A 56 2.311 7.756 1.175 1.00 1.00 C ATOM 893 O LEU A 56 2.949 8.108 0.187 1.00 1.00 O ATOM 894 CB LEU A 56 1.861 5.300 1.970 1.00 1.00 C ATOM 895 CG LEU A 56 1.347 4.599 0.707 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.493 5.537 -0.125 1.00 1.00 C ATOM 897 CD2 LEU A 56 2.389 3.898 -0.167 1.00 1.00 C ATOM 0 H LEU A 56 2.460 6.269 3.976 1.00 1.00 H new ATOM 0 HA LEU A 56 3.709 6.240 1.465 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.379 4.536 2.550 1.00 1.00 H new ATOM 0 HB3 LEU A 56 0.976 5.587 2.538 1.00 1.00 H new ATOM 0 HG LEU A 56 0.745 3.779 1.100 1.00 1.00 H new ATOM 0 HD11 LEU A 56 0.141 5.015 -1.015 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.362 5.869 0.463 1.00 1.00 H new ATOM 0 HD13 LEU A 56 1.086 6.402 -0.422 1.00 1.00 H new ATOM 0 HD21 LEU A 56 1.896 3.443 -1.026 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.123 4.626 -0.513 1.00 1.00 H new ATOM 0 HD23 LEU A 56 2.891 3.125 0.415 1.00 1.00 H new ATOM 909 N VAL A 57 1.260 8.455 1.604 1.00 1.00 N ATOM 910 CA VAL A 57 0.787 9.608 0.846 1.00 1.00 C ATOM 911 C VAL A 57 1.854 10.716 0.819 1.00 1.00 C ATOM 912 O VAL A 57 2.224 11.156 -0.273 1.00 1.00 O ATOM 913 CB VAL A 57 -0.599 10.038 1.356 1.00 1.00 C ATOM 914 CG1 VAL A 57 -1.057 11.348 0.714 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.622 8.933 1.029 1.00 1.00 C ATOM 0 H VAL A 57 0.732 8.248 2.452 1.00 1.00 H new ATOM 0 HA VAL A 57 0.640 9.345 -0.202 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.529 10.194 2.432 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -2.040 11.618 1.100 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.344 12.138 0.951 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.114 11.223 -0.367 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.607 9.231 1.388 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.660 8.780 -0.050 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.324 8.005 1.517 1.00 1.00 H new ATOM 925 N SER A 58 2.386 11.159 1.966 1.00 1.00 N ATOM 926 CA SER A 58 3.351 12.261 2.010 1.00 1.00 C ATOM 927 C SER A 58 4.650 11.913 1.259 1.00 1.00 C ATOM 928 O SER A 58 5.202 12.736 0.519 1.00 1.00 O ATOM 929 CB SER A 58 3.626 12.609 3.480 1.00 1.00 C ATOM 930 OG SER A 58 4.358 13.814 3.597 1.00 1.00 O ATOM 0 H SER A 58 2.161 10.767 2.880 1.00 1.00 H new ATOM 0 HA SER A 58 2.931 13.129 1.502 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.682 12.702 4.016 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.181 11.797 3.950 1.00 1.00 H new ATOM 0 HG SER A 58 4.516 14.010 4.544 1.00 1.00 H new ATOM 936 N PHE A 59 5.130 10.685 1.423 1.00 1.00 N ATOM 937 CA PHE A 59 6.365 10.163 0.864 1.00 1.00 C ATOM 938 C PHE A 59 6.245 9.982 -0.651 1.00 1.00 C ATOM 939 O PHE A 59 7.240 10.185 -1.345 1.00 1.00 O ATOM 940 CB PHE A 59 6.676 8.852 1.602 1.00 1.00 C ATOM 941 CG PHE A 59 8.023 8.193 1.386 1.00 1.00 C ATOM 942 CD1 PHE A 59 9.102 8.472 2.247 1.00 1.00 C ATOM 943 CD2 PHE A 59 8.141 7.161 0.445 1.00 1.00 C ATOM 944 CE1 PHE A 59 10.277 7.700 2.181 1.00 1.00 C ATOM 945 CE2 PHE A 59 9.297 6.369 0.398 1.00 1.00 C ATOM 946 CZ PHE A 59 10.372 6.635 1.267 1.00 1.00 C ATOM 0 H PHE A 59 4.636 9.990 1.983 1.00 1.00 H new ATOM 0 HA PHE A 59 7.191 10.860 1.006 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.569 9.042 2.670 1.00 1.00 H new ATOM 0 HB3 PHE A 59 5.908 8.129 1.328 1.00 1.00 H new ATOM 0 HD1 PHE A 59 9.028 9.280 2.960 1.00 1.00 H new ATOM 0 HD2 PHE A 59 7.335 6.974 -0.249 1.00 1.00 H new ATOM 0 HE1 PHE A 59 11.107 7.926 2.834 1.00 1.00 H new ATOM 0 HE2 PHE A 59 9.363 5.553 -0.306 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.263 6.026 1.232 1.00 1.00 H new ATOM 956 N TYR A 60 5.064 9.650 -1.192 1.00 1.00 N ATOM 957 CA TYR A 60 4.858 9.473 -2.626 1.00 1.00 C ATOM 958 C TYR A 60 4.044 10.659 -3.162 1.00 1.00 C ATOM 959 O TYR A 60 4.651 11.694 -3.438 1.00 1.00 O ATOM 960 CB TYR A 60 4.248 8.086 -2.898 1.00 1.00 C ATOM 961 CG TYR A 60 5.175 6.916 -2.593 1.00 1.00 C ATOM 962 CD1 TYR A 60 6.186 6.541 -3.499 1.00 1.00 C ATOM 963 CD2 TYR A 60 5.021 6.182 -1.404 1.00 1.00 C ATOM 964 CE1 TYR A 60 7.018 5.441 -3.213 1.00 1.00 C ATOM 965 CE2 TYR A 60 5.843 5.084 -1.109 1.00 1.00 C ATOM 966 CZ TYR A 60 6.851 4.709 -2.015 1.00 1.00 C ATOM 967 OH TYR A 60 7.657 3.655 -1.720 1.00 1.00 O ATOM 0 H TYR A 60 4.222 9.497 -0.637 1.00 1.00 H new ATOM 0 HA TYR A 60 5.800 9.482 -3.174 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.341 7.979 -2.303 1.00 1.00 H new ATOM 0 HB3 TYR A 60 3.950 8.033 -3.945 1.00 1.00 H new ATOM 0 HD1 TYR A 60 6.324 7.098 -4.414 1.00 1.00 H new ATOM 0 HD2 TYR A 60 4.253 6.470 -0.702 1.00 1.00 H new ATOM 0 HE1 TYR A 60 7.789 5.155 -3.913 1.00 1.00 H new ATOM 0 HE2 TYR A 60 5.703 4.531 -0.192 1.00 1.00 H new ATOM 0 HH TYR A 60 8.427 3.652 -2.326 1.00 1.00 H new ATOM 977 N LEU A 61 2.720 10.514 -3.287 1.00 1.00 N ATOM 978 CA LEU A 61 1.647 11.456 -3.663 1.00 1.00 C ATOM 979 C LEU A 61 0.338 10.778 -3.237 1.00 1.00 C ATOM 980 O LEU A 61 0.343 9.589 -2.916 1.00 1.00 O ATOM 981 CB LEU A 61 1.486 11.707 -5.184 1.00 1.00 C ATOM 982 CG LEU A 61 2.382 12.683 -5.963 1.00 1.00 C ATOM 983 CD1 LEU A 61 2.797 13.915 -5.155 1.00 1.00 C ATOM 984 CD2 LEU A 61 3.568 11.966 -6.600 1.00 1.00 C ATOM 0 H LEU A 61 2.313 9.598 -3.099 1.00 1.00 H new ATOM 0 HA LEU A 61 1.887 12.411 -3.196 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.585 10.737 -5.671 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.459 12.038 -5.338 1.00 1.00 H new ATOM 0 HG LEU A 61 1.770 13.078 -6.774 1.00 1.00 H new ATOM 0 HD11 LEU A 61 3.428 14.558 -5.769 1.00 1.00 H new ATOM 0 HD12 LEU A 61 1.908 14.465 -4.848 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.352 13.600 -4.271 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.180 12.686 -7.143 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.168 11.493 -5.822 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.205 11.205 -7.291 1.00 1.00 H new ATOM 996 N GLU A 62 -0.790 11.489 -3.293 1.00 1.00 N ATOM 997 CA GLU A 62 -2.112 10.935 -3.037 1.00 1.00 C ATOM 998 C GLU A 62 -2.396 9.850 -4.084 1.00 1.00 C ATOM 999 O GLU A 62 -2.469 8.668 -3.750 1.00 1.00 O ATOM 1000 CB GLU A 62 -3.190 12.039 -3.094 1.00 1.00 C ATOM 1001 CG GLU A 62 -3.326 12.882 -1.816 1.00 1.00 C ATOM 1002 CD GLU A 62 -2.406 14.104 -1.755 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -1.201 14.010 -2.093 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -2.906 15.176 -1.347 1.00 1.00 O ATOM 0 H GLU A 62 -0.806 12.483 -3.522 1.00 1.00 H new ATOM 0 HA GLU A 62 -2.140 10.501 -2.037 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -2.963 12.704 -3.927 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -4.153 11.575 -3.309 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -4.359 13.217 -1.726 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -3.121 12.247 -0.954 1.00 1.00 H new ATOM 1011 N THR A 63 -2.525 10.234 -5.358 1.00 1.00 N ATOM 1012 CA THR A 63 -2.903 9.311 -6.419 1.00 1.00 C ATOM 1013 C THR A 63 -1.820 8.248 -6.647 1.00 1.00 C ATOM 1014 O THR A 63 -2.159 7.067 -6.705 1.00 1.00 O ATOM 1015 CB THR A 63 -3.239 10.083 -7.705 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.943 11.279 -7.424 1.00 1.00 O ATOM 1017 CG2 THR A 63 -4.111 9.239 -8.640 1.00 1.00 C ATOM 0 H THR A 63 -2.370 11.191 -5.676 1.00 1.00 H new ATOM 0 HA THR A 63 -3.802 8.777 -6.110 1.00 1.00 H new ATOM 0 HB THR A 63 -2.287 10.317 -8.182 1.00 1.00 H new ATOM 0 HG1 THR A 63 -4.140 11.747 -8.262 1.00 1.00 H new ATOM 0 HG21 THR A 63 -4.334 9.809 -9.542 1.00 1.00 H new ATOM 0 HG22 THR A 63 -3.579 8.327 -8.909 1.00 1.00 H new ATOM 0 HG23 THR A 63 -5.042 8.980 -8.135 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.530 8.612 -6.743 1.00 1.00 N ATOM 1026 CA TYR A 64 0.520 7.600 -6.891 1.00 1.00 C ATOM 1027 C TYR A 64 0.578 6.687 -5.664 1.00 1.00 C ATOM 1028 O TYR A 64 0.907 5.514 -5.799 1.00 1.00 O ATOM 1029 CB TYR A 64 1.908 8.200 -7.186 1.00 1.00 C ATOM 1030 CG TYR A 64 2.940 7.136 -7.536 1.00 1.00 C ATOM 1031 CD1 TYR A 64 2.704 6.276 -8.623 1.00 1.00 C ATOM 1032 CD2 TYR A 64 4.097 6.952 -6.752 1.00 1.00 C ATOM 1033 CE1 TYR A 64 3.582 5.220 -8.904 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.971 5.883 -7.012 1.00 1.00 C ATOM 1035 CZ TYR A 64 4.710 5.009 -8.086 1.00 1.00 C ATOM 1036 OH TYR A 64 5.543 3.967 -8.344 1.00 1.00 O ATOM 0 H TYR A 64 -0.198 9.576 -6.721 1.00 1.00 H new ATOM 0 HA TYR A 64 0.247 7.007 -7.764 1.00 1.00 H new ATOM 0 HB2 TYR A 64 1.827 8.908 -8.011 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.250 8.761 -6.317 1.00 1.00 H new ATOM 0 HD1 TYR A 64 1.837 6.431 -9.248 1.00 1.00 H new ATOM 0 HD2 TYR A 64 4.313 7.637 -5.946 1.00 1.00 H new ATOM 0 HE1 TYR A 64 3.394 4.570 -9.746 1.00 1.00 H new ATOM 0 HE2 TYR A 64 5.841 5.732 -6.390 1.00 1.00 H new ATOM 0 HH TYR A 64 6.272 3.962 -7.690 1.00 1.00 H new ATOM 1046 N GLY A 65 0.227 7.183 -4.477 1.00 1.00 N ATOM 1047 CA GLY A 65 0.147 6.372 -3.279 1.00 1.00 C ATOM 1048 C GLY A 65 -0.959 5.330 -3.410 1.00 1.00 C ATOM 1049 O GLY A 65 -0.750 4.157 -3.092 1.00 1.00 O ATOM 0 H GLY A 65 -0.009 8.164 -4.327 1.00 1.00 H new ATOM 0 HA2 GLY A 65 1.102 5.877 -3.104 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.045 7.008 -2.415 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.134 5.735 -3.892 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.233 4.811 -4.120 1.00 1.00 C ATOM 1055 C ALA A 66 -2.872 3.797 -5.200 1.00 1.00 C ATOM 1056 O ALA A 66 -3.180 2.614 -5.046 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.503 5.582 -4.469 1.00 1.00 C ATOM 0 H ALA A 66 -2.345 6.704 -4.132 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.422 4.252 -3.203 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.320 4.880 -4.638 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -4.762 6.249 -3.646 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.336 6.168 -5.372 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.209 4.241 -6.269 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.722 3.378 -7.340 1.00 1.00 C ATOM 1065 C GLU A 67 -0.773 2.340 -6.755 1.00 1.00 C ATOM 1066 O GLU A 67 -1.008 1.148 -6.918 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.017 4.177 -8.452 1.00 1.00 C ATOM 1068 CG GLU A 67 -0.747 3.265 -9.662 1.00 1.00 C ATOM 1069 CD GLU A 67 0.620 3.479 -10.313 1.00 1.00 C ATOM 1070 OE1 GLU A 67 1.605 2.802 -9.938 1.00 1.00 O ATOM 1071 OE2 GLU A 67 0.703 4.244 -11.305 1.00 1.00 O ATOM 0 H GLU A 67 -1.993 5.227 -6.415 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.581 2.885 -7.795 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.636 5.022 -8.753 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.079 4.587 -8.078 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -0.827 2.225 -9.345 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -1.523 3.431 -10.409 1.00 1.00 H new ATOM 1078 N LEU A 68 0.269 2.790 -6.047 1.00 1.00 N ATOM 1079 CA LEU A 68 1.236 1.955 -5.352 1.00 1.00 C ATOM 1080 C LEU A 68 0.488 0.898 -4.552 1.00 1.00 C ATOM 1081 O LEU A 68 0.730 -0.290 -4.741 1.00 1.00 O ATOM 1082 CB LEU A 68 2.147 2.836 -4.474 1.00 1.00 C ATOM 1083 CG LEU A 68 3.183 2.042 -3.661 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.286 2.982 -3.173 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.567 1.358 -2.438 1.00 1.00 C ATOM 0 H LEU A 68 0.463 3.786 -5.943 1.00 1.00 H new ATOM 0 HA LEU A 68 1.884 1.438 -6.060 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.669 3.550 -5.111 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.527 3.414 -3.789 1.00 1.00 H new ATOM 0 HG LEU A 68 3.582 1.273 -4.323 1.00 1.00 H new ATOM 0 HD11 LEU A 68 5.018 2.416 -2.597 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.776 3.443 -4.030 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.851 3.758 -2.543 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.341 0.811 -1.899 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.130 2.111 -1.782 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.791 0.664 -2.761 1.00 1.00 H new ATOM 1097 N THR A 69 -0.420 1.329 -3.682 1.00 1.00 N ATOM 1098 CA THR A 69 -1.155 0.456 -2.785 1.00 1.00 C ATOM 1099 C THR A 69 -1.888 -0.606 -3.613 1.00 1.00 C ATOM 1100 O THR A 69 -1.626 -1.796 -3.448 1.00 1.00 O ATOM 1101 CB THR A 69 -2.056 1.313 -1.877 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.273 2.286 -1.217 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.765 0.515 -0.786 1.00 1.00 C ATOM 0 H THR A 69 -0.667 2.314 -3.582 1.00 1.00 H new ATOM 0 HA THR A 69 -0.496 -0.094 -2.113 1.00 1.00 H new ATOM 0 HB THR A 69 -2.807 1.748 -2.536 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.282 3.119 -1.734 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.381 1.186 -0.187 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.397 -0.246 -1.244 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.024 0.035 -0.147 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.739 -0.200 -4.559 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.503 -1.123 -5.387 1.00 1.00 C ATOM 1113 C ALA A 70 -2.601 -2.007 -6.257 1.00 1.00 C ATOM 1114 O ALA A 70 -3.046 -3.088 -6.633 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.452 -0.329 -6.295 1.00 1.00 C ATOM 0 H ALA A 70 -2.915 0.783 -4.769 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.064 -1.775 -4.717 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -5.024 -1.019 -6.915 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -5.135 0.259 -5.682 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.872 0.337 -6.934 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.383 -1.578 -6.603 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.422 -2.339 -7.405 1.00 1.00 C ATOM 1123 C ASN A 71 0.136 -3.496 -6.607 1.00 1.00 C ATOM 1124 O ASN A 71 0.173 -4.629 -7.079 1.00 1.00 O ATOM 1125 CB ASN A 71 0.782 -1.485 -7.816 1.00 1.00 C ATOM 1126 CG ASN A 71 1.604 -2.239 -8.853 1.00 1.00 C ATOM 1127 OD1 ASN A 71 1.272 -2.229 -10.038 1.00 1.00 O ATOM 1128 ND2 ASN A 71 2.674 -2.904 -8.435 1.00 1.00 N ATOM 0 H ASN A 71 -1.029 -0.663 -6.324 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.966 -2.679 -8.286 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.444 -0.533 -8.225 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.396 -1.258 -6.944 1.00 1.00 H new ATOM 0 HD21 ASN A 71 3.244 -3.424 -9.102 1.00 1.00 H new ATOM 0 HD22 ASN A 71 2.926 -2.895 -7.447 1.00 1.00 H new ATOM 1135 N VAL A 72 0.617 -3.178 -5.410 1.00 1.00 N ATOM 1136 CA VAL A 72 1.106 -4.166 -4.458 1.00 1.00 C ATOM 1137 C VAL A 72 -0.024 -5.168 -4.178 1.00 1.00 C ATOM 1138 O VAL A 72 0.193 -6.373 -4.220 1.00 1.00 O ATOM 1139 CB VAL A 72 1.593 -3.482 -3.164 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.144 -4.520 -2.182 1.00 1.00 C ATOM 1141 CG2 VAL A 72 2.710 -2.440 -3.350 1.00 1.00 C ATOM 0 H VAL A 72 0.679 -2.218 -5.071 1.00 1.00 H new ATOM 0 HA VAL A 72 1.962 -4.698 -4.874 1.00 1.00 H new ATOM 0 HB VAL A 72 0.704 -2.969 -2.796 1.00 1.00 H new ATOM 0 HG11 VAL A 72 2.483 -4.019 -1.275 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.360 -5.235 -1.931 1.00 1.00 H new ATOM 0 HG13 VAL A 72 2.981 -5.046 -2.640 1.00 1.00 H new ATOM 0 HG21 VAL A 72 2.980 -2.019 -2.381 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.583 -2.918 -3.794 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.359 -1.644 -4.007 1.00 1.00 H new ATOM 1151 N LEU A 73 -1.243 -4.685 -3.930 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.412 -5.522 -3.671 1.00 1.00 C ATOM 1153 C LEU A 73 -2.687 -6.436 -4.875 1.00 1.00 C ATOM 1154 O LEU A 73 -2.780 -7.654 -4.732 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.577 -4.595 -3.288 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.395 -3.919 -1.909 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.443 -2.815 -1.761 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.449 -4.860 -0.705 1.00 1.00 C ATOM 0 H LEU A 73 -1.447 -3.686 -3.903 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.252 -6.204 -2.836 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.684 -3.824 -4.051 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.503 -5.170 -3.283 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.381 -3.519 -1.900 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.326 -2.330 -0.792 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.311 -2.079 -2.554 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.441 -3.249 -1.831 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.311 -4.286 0.212 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.417 -5.360 -0.677 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.658 -5.605 -0.790 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.750 -5.864 -6.078 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.888 -6.585 -7.348 1.00 1.00 C ATOM 1172 C ARG A 74 -1.814 -7.673 -7.446 1.00 1.00 C ATOM 1173 O ARG A 74 -2.133 -8.805 -7.808 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.817 -5.546 -8.486 1.00 1.00 C ATOM 1175 CG ARG A 74 -2.588 -6.074 -9.910 1.00 1.00 C ATOM 1176 CD ARG A 74 -2.151 -4.938 -10.844 1.00 1.00 C ATOM 1177 NE ARG A 74 -3.207 -3.939 -11.079 1.00 1.00 N ATOM 1178 CZ ARG A 74 -3.881 -3.713 -12.211 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -3.661 -4.442 -13.300 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -4.793 -2.751 -12.247 1.00 1.00 N ATOM 0 H ARG A 74 -2.705 -4.852 -6.201 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.845 -7.102 -7.421 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.747 -4.978 -8.483 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -2.015 -4.845 -8.253 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -1.827 -6.854 -9.896 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -3.504 -6.529 -10.286 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -1.279 -4.442 -10.418 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -1.842 -5.361 -11.800 1.00 1.00 H new ATOM 0 HE ARG A 74 -3.453 -3.350 -10.284 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -2.967 -5.190 -13.282 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -4.186 -4.254 -14.154 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -4.976 -2.190 -11.415 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -5.312 -2.572 -13.107 1.00 1.00 H new ATOM 1194 N ASP A 75 -0.559 -7.358 -7.108 1.00 1.00 N ATOM 1195 CA ASP A 75 0.569 -8.289 -7.108 1.00 1.00 C ATOM 1196 C ASP A 75 0.299 -9.452 -6.156 1.00 1.00 C ATOM 1197 O ASP A 75 0.395 -10.609 -6.570 1.00 1.00 O ATOM 1198 CB ASP A 75 1.870 -7.562 -6.752 1.00 1.00 C ATOM 1199 CG ASP A 75 3.111 -8.440 -6.897 1.00 1.00 C ATOM 1200 OD1 ASP A 75 3.281 -9.450 -6.181 1.00 1.00 O ATOM 1201 OD2 ASP A 75 3.999 -8.073 -7.699 1.00 1.00 O ATOM 0 H ASP A 75 -0.294 -6.417 -6.818 1.00 1.00 H new ATOM 0 HA ASP A 75 0.685 -8.699 -8.111 1.00 1.00 H new ATOM 0 HB2 ASP A 75 1.976 -6.686 -7.393 1.00 1.00 H new ATOM 0 HB3 ASP A 75 1.807 -7.200 -5.726 1.00 1.00 H new ATOM 1206 N MET A 76 -0.132 -9.163 -4.923 1.00 1.00 N ATOM 1207 CA MET A 76 -0.522 -10.149 -3.911 1.00 1.00 C ATOM 1208 C MET A 76 -1.639 -11.090 -4.397 1.00 1.00 C ATOM 1209 O MET A 76 -1.826 -12.160 -3.810 1.00 1.00 O ATOM 1210 CB MET A 76 -0.961 -9.441 -2.610 1.00 1.00 C ATOM 1211 CG MET A 76 0.136 -8.631 -1.906 1.00 1.00 C ATOM 1212 SD MET A 76 -0.481 -7.302 -0.826 1.00 1.00 S ATOM 1213 CE MET A 76 -1.181 -8.221 0.574 1.00 1.00 C ATOM 0 H MET A 76 -0.222 -8.203 -4.592 1.00 1.00 H new ATOM 0 HA MET A 76 0.357 -10.763 -3.717 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.792 -8.774 -2.841 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.338 -10.192 -1.916 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.747 -9.311 -1.312 1.00 1.00 H new ATOM 0 HG3 MET A 76 0.789 -8.194 -2.662 1.00 1.00 H new ATOM 0 HE1 MET A 76 -1.844 -7.569 1.143 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.745 -9.076 0.202 1.00 1.00 H new ATOM 0 HE3 MET A 76 -0.375 -8.571 1.219 1.00 1.00 H new ATOM 1223 N GLY A 77 -2.344 -10.717 -5.469 1.00 1.00 N ATOM 1224 CA GLY A 77 -3.382 -11.483 -6.152 1.00 1.00 C ATOM 1225 C GLY A 77 -4.792 -10.993 -5.831 1.00 1.00 C ATOM 1226 O GLY A 77 -5.774 -11.470 -6.408 1.00 1.00 O ATOM 0 H GLY A 77 -2.192 -9.810 -5.910 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -3.219 -11.426 -7.228 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -3.295 -12.533 -5.872 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.884 -10.028 -4.924 1.00 1.00 N ATOM 1231 CA LEU A 78 -6.071 -9.341 -4.458 1.00 1.00 C ATOM 1232 C LEU A 78 -6.499 -8.392 -5.571 1.00 1.00 C ATOM 1233 O LEU A 78 -5.686 -7.623 -6.080 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.680 -8.637 -3.152 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.682 -7.661 -2.514 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -5.993 -7.124 -1.262 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -7.006 -6.447 -3.396 1.00 1.00 C ATOM 0 H LEU A 78 -4.048 -9.678 -4.456 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.920 -9.990 -4.243 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.454 -9.408 -2.415 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.755 -8.090 -3.335 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.617 -8.193 -2.336 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.654 -6.420 -0.757 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.762 -7.951 -0.591 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.070 -6.617 -1.544 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.719 -5.803 -2.881 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -6.092 -5.889 -3.597 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.438 -6.786 -4.338 1.00 1.00 H new ATOM 1249 N GLN A 79 -7.751 -8.466 -6.001 1.00 1.00 N ATOM 1250 CA GLN A 79 -8.310 -7.547 -6.989 1.00 1.00 C ATOM 1251 C GLN A 79 -9.506 -6.760 -6.455 1.00 1.00 C ATOM 1252 O GLN A 79 -9.761 -5.664 -6.947 1.00 1.00 O ATOM 1253 CB GLN A 79 -8.689 -8.315 -8.256 1.00 1.00 C ATOM 1254 CG GLN A 79 -9.622 -9.496 -7.975 1.00 1.00 C ATOM 1255 CD GLN A 79 -10.224 -10.011 -9.267 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -11.331 -9.627 -9.643 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -9.493 -10.842 -9.989 1.00 1.00 N ATOM 0 H GLN A 79 -8.413 -9.169 -5.673 1.00 1.00 H new ATOM 0 HA GLN A 79 -7.539 -6.813 -7.224 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -9.172 -7.635 -8.957 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -7.783 -8.680 -8.739 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -9.070 -10.295 -7.480 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -10.415 -9.187 -7.294 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -8.579 -11.143 -9.651 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -9.843 -11.183 -10.884 1.00 1.00 H new ATOM 1266 N GLU A 80 -10.221 -7.278 -5.458 1.00 1.00 N ATOM 1267 CA GLU A 80 -11.446 -6.694 -4.925 1.00 1.00 C ATOM 1268 C GLU A 80 -11.162 -5.312 -4.331 1.00 1.00 C ATOM 1269 O GLU A 80 -11.553 -4.297 -4.911 1.00 1.00 O ATOM 1270 CB GLU A 80 -12.129 -7.659 -3.932 1.00 1.00 C ATOM 1271 CG GLU A 80 -11.218 -8.455 -2.968 1.00 1.00 C ATOM 1272 CD GLU A 80 -10.617 -9.709 -3.613 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -11.284 -10.764 -3.631 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -9.491 -9.648 -4.159 1.00 1.00 O ATOM 0 H GLU A 80 -9.954 -8.142 -4.986 1.00 1.00 H new ATOM 0 HA GLU A 80 -12.158 -6.544 -5.737 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -12.831 -7.081 -3.331 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.716 -8.375 -4.508 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -10.411 -7.809 -2.622 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -11.794 -8.745 -2.089 1.00 1.00 H new ATOM 1281 N MET A 81 -10.391 -5.258 -3.248 1.00 1.00 N ATOM 1282 CA MET A 81 -9.938 -4.024 -2.623 1.00 1.00 C ATOM 1283 C MET A 81 -9.137 -3.205 -3.626 1.00 1.00 C ATOM 1284 O MET A 81 -9.399 -2.021 -3.710 1.00 1.00 O ATOM 1285 CB MET A 81 -9.212 -4.381 -1.323 1.00 1.00 C ATOM 1286 CG MET A 81 -8.340 -3.268 -0.751 1.00 1.00 C ATOM 1287 SD MET A 81 -7.359 -3.827 0.661 1.00 1.00 S ATOM 1288 CE MET A 81 -8.676 -4.376 1.779 1.00 1.00 C ATOM 0 H MET A 81 -10.057 -6.095 -2.770 1.00 1.00 H new ATOM 0 HA MET A 81 -10.764 -3.373 -2.336 1.00 1.00 H new ATOM 0 HB2 MET A 81 -9.953 -4.663 -0.575 1.00 1.00 H new ATOM 0 HB3 MET A 81 -8.588 -5.257 -1.500 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.674 -2.894 -1.529 1.00 1.00 H new ATOM 0 HG3 MET A 81 -8.972 -2.434 -0.445 1.00 1.00 H new ATOM 0 HE1 MET A 81 -8.261 -4.550 2.772 1.00 1.00 H new ATOM 0 HE2 MET A 81 -9.447 -3.608 1.837 1.00 1.00 H new ATOM 0 HE3 MET A 81 -9.112 -5.301 1.401 1.00 1.00 H new ATOM 1298 N ALA A 82 -8.243 -3.784 -4.435 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.463 -3.025 -5.413 1.00 1.00 C ATOM 1300 C ALA A 82 -8.365 -2.226 -6.366 1.00 1.00 C ATOM 1301 O ALA A 82 -8.075 -1.062 -6.638 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.528 -3.952 -6.198 1.00 1.00 C ATOM 0 H ALA A 82 -8.042 -4.784 -4.429 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.856 -2.307 -4.861 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.958 -3.367 -6.920 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.843 -4.446 -5.509 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -7.118 -4.703 -6.724 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.462 -2.815 -6.848 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.392 -2.121 -7.724 1.00 1.00 C ATOM 1310 C GLY A 83 -11.209 -1.093 -6.948 1.00 1.00 C ATOM 1311 O GLY A 83 -11.336 0.038 -7.407 1.00 1.00 O ATOM 0 H GLY A 83 -9.724 -3.779 -6.641 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -9.843 -1.625 -8.524 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -11.060 -2.842 -8.195 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.725 -1.441 -5.760 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.487 -0.500 -4.938 1.00 1.00 C ATOM 1317 C GLN A 84 -11.638 0.711 -4.547 1.00 1.00 C ATOM 1318 O GLN A 84 -12.154 1.822 -4.492 1.00 1.00 O ATOM 1319 CB GLN A 84 -13.022 -1.174 -3.664 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.129 -2.198 -3.940 1.00 1.00 C ATOM 1321 CD GLN A 84 -14.867 -2.593 -2.660 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -14.291 -2.678 -1.579 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -16.167 -2.808 -2.758 1.00 1.00 N ATOM 0 H GLN A 84 -11.626 -2.370 -5.350 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.329 -0.165 -5.543 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.198 -1.669 -3.150 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.405 -0.408 -2.989 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -14.839 -1.783 -4.656 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -13.696 -3.087 -4.399 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -16.629 -2.733 -3.664 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -16.708 -3.049 -1.928 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.353 0.494 -4.288 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.326 1.451 -3.909 1.00 1.00 C ATOM 1334 C LEU A 85 -9.050 2.413 -5.063 1.00 1.00 C ATOM 1335 O LEU A 85 -9.079 3.635 -4.883 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.086 0.613 -3.547 1.00 1.00 C ATOM 1337 CG LEU A 85 -6.841 1.357 -3.077 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.124 1.976 -1.724 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.701 0.359 -2.874 1.00 1.00 C ATOM 0 H LEU A 85 -9.970 -0.450 -4.345 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.628 2.070 -3.064 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.373 -0.089 -2.764 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.814 0.022 -4.421 1.00 1.00 H new ATOM 0 HG LEU A 85 -6.575 2.112 -3.817 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.240 2.511 -1.377 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -7.959 2.671 -1.809 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.376 1.192 -1.011 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -4.809 0.888 -2.538 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -5.991 -0.377 -2.124 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.489 -0.147 -3.816 1.00 1.00 H new ATOM 1351 N GLN A 86 -8.831 1.860 -6.259 1.00 1.00 N ATOM 1352 CA GLN A 86 -8.608 2.639 -7.466 1.00 1.00 C ATOM 1353 C GLN A 86 -9.862 3.458 -7.795 1.00 1.00 C ATOM 1354 O GLN A 86 -9.743 4.641 -8.121 1.00 1.00 O ATOM 1355 CB GLN A 86 -8.201 1.686 -8.605 1.00 1.00 C ATOM 1356 CG GLN A 86 -7.461 2.385 -9.755 1.00 1.00 C ATOM 1357 CD GLN A 86 -6.019 2.764 -9.399 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -5.254 1.981 -8.835 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -5.595 3.971 -9.720 1.00 1.00 N ATOM 0 H GLN A 86 -8.805 0.852 -6.411 1.00 1.00 H new ATOM 0 HA GLN A 86 -7.796 3.352 -7.324 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -7.565 0.899 -8.200 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -9.094 1.202 -9.000 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -7.454 1.730 -10.626 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -8.008 3.285 -10.037 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -6.223 4.625 -10.187 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -4.639 4.251 -9.501 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.051 2.855 -7.672 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.340 3.509 -7.861 1.00 1.00 C ATOM 1370 C ALA A 87 -12.560 4.609 -6.824 1.00 1.00 C ATOM 1371 O ALA A 87 -13.017 5.693 -7.172 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.473 2.480 -7.775 1.00 1.00 C ATOM 0 H ALA A 87 -11.139 1.868 -7.431 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.341 3.967 -8.850 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -14.431 2.981 -7.918 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -13.339 1.725 -8.550 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.456 2.001 -6.796 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.233 4.363 -5.554 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.391 5.335 -4.483 1.00 1.00 C ATOM 1380 C ALA A 88 -11.573 6.575 -4.814 1.00 1.00 C ATOM 1381 O ALA A 88 -12.105 7.686 -4.814 1.00 1.00 O ATOM 1382 CB ALA A 88 -11.967 4.735 -3.146 1.00 1.00 C ATOM 0 H ALA A 88 -11.847 3.472 -5.242 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.441 5.615 -4.395 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.093 5.477 -2.358 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -12.584 3.864 -2.926 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -10.921 4.434 -3.198 1.00 1.00 H new ATOM 1388 N THR A 89 -10.306 6.367 -5.167 1.00 1.00 N ATOM 1389 CA THR A 89 -9.383 7.428 -5.539 1.00 1.00 C ATOM 1390 C THR A 89 -9.720 8.036 -6.913 1.00 1.00 C ATOM 1391 O THR A 89 -9.099 9.022 -7.314 1.00 1.00 O ATOM 1392 CB THR A 89 -7.928 6.929 -5.420 1.00 1.00 C ATOM 1393 OG1 THR A 89 -7.786 6.109 -4.270 1.00 1.00 O ATOM 1394 CG2 THR A 89 -6.975 8.124 -5.252 1.00 1.00 C ATOM 0 H THR A 89 -9.888 5.437 -5.202 1.00 1.00 H new ATOM 0 HA THR A 89 -9.496 8.254 -4.837 1.00 1.00 H new ATOM 0 HB THR A 89 -7.688 6.368 -6.323 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.088 5.200 -4.477 1.00 1.00 H new ATOM 0 HG21 THR A 89 -5.950 7.763 -5.169 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.059 8.781 -6.118 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.240 8.676 -4.350 1.00 1.00 H new