USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 618 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 46 SER OG : rot 79:sc= 0.158 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.435 K(o=-0.28,f=-1.7) USER MOD Set 2.1: A 33 ASN : amide:sc=-0.000298 K(o=-0.48,f=-4.1!) USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= -0.478 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= -0.0283 (180deg=-0.214) USER MOD Single : A 9 CYS SG : rot 180:sc= -0.13 USER MOD Single : A 14 THR OG1 : rot 64:sc= 1.28 USER MOD Single : A 17 CYS SG : rot 87:sc= -0.107 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -117:sc= -0.309 (180deg=-1.43) USER MOD Single : A 27 HIS : no HD1:sc= -0.0302 X(o=-0.03,f=-0.51) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 79:sc= 0.00576 USER MOD Single : A 45 SER OG : rot 54:sc= 0.108 USER MOD Single : A 53 GLN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -137:sc= -0.105 (180deg=-0.938!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 80:sc= 0.172 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -0.725 0.407 -2.439 1.00 0.00 N ATOM 19 CA ARG A 2 -1.626 0.211 -3.568 1.00 0.00 C ATOM 20 C ARG A 2 -1.082 0.888 -4.822 1.00 0.00 C ATOM 21 O ARG A 2 -1.140 0.327 -5.916 1.00 0.00 O ATOM 22 CB ARG A 2 -3.016 0.761 -3.240 1.00 0.00 C ATOM 23 CG ARG A 2 -4.010 0.626 -4.382 1.00 0.00 C ATOM 24 CD ARG A 2 -5.436 0.514 -3.868 1.00 0.00 C ATOM 25 NE ARG A 2 -5.709 -0.800 -3.290 1.00 0.00 N ATOM 26 CZ ARG A 2 -6.831 -1.100 -2.645 1.00 0.00 C ATOM 27 NH1 ARG A 2 -7.780 -0.187 -2.497 1.00 0.00 N ATOM 28 NH2 ARG A 2 -7.005 -2.318 -2.147 1.00 0.00 N ATOM 0 HA ARG A 2 -1.702 -0.860 -3.758 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.407 0.240 -2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.927 1.813 -2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.927 1.489 -5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.766 -0.255 -4.976 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.612 1.284 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.132 0.702 -4.686 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.000 -1.526 -3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.650 0.750 -2.879 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.640 -0.421 -2.001 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.277 -3.024 -2.259 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.866 -2.548 -1.652 1.00 0.00 H new ATOM 42 N GLU A 3 -0.556 2.098 -4.655 1.00 0.00 N ATOM 43 CA GLU A 3 -0.004 2.851 -5.774 1.00 0.00 C ATOM 44 C GLU A 3 1.060 2.037 -6.506 1.00 0.00 C ATOM 45 O GLU A 3 1.168 2.098 -7.730 1.00 0.00 O ATOM 46 CB GLU A 3 0.597 4.170 -5.283 1.00 0.00 C ATOM 47 CG GLU A 3 -0.445 5.203 -4.887 1.00 0.00 C ATOM 48 CD GLU A 3 -1.387 5.547 -6.024 1.00 0.00 C ATOM 49 OE1 GLU A 3 -2.400 4.836 -6.191 1.00 0.00 O ATOM 50 OE2 GLU A 3 -1.112 6.527 -6.747 1.00 0.00 O ATOM 0 H GLU A 3 -0.501 2.577 -3.756 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.815 3.066 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.241 3.970 -4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.229 4.586 -6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -1.023 4.826 -4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.057 6.110 -4.550 1.00 0.00 H new ATOM 57 N GLU A 4 1.842 1.277 -5.746 1.00 0.00 N ATOM 58 CA GLU A 4 2.897 0.452 -6.322 1.00 0.00 C ATOM 59 C GLU A 4 2.313 -0.613 -7.245 1.00 0.00 C ATOM 60 O GLU A 4 2.792 -0.814 -8.361 1.00 0.00 O ATOM 61 CB GLU A 4 3.718 -0.212 -5.215 1.00 0.00 C ATOM 62 CG GLU A 4 4.247 0.767 -4.179 1.00 0.00 C ATOM 63 CD GLU A 4 5.136 1.835 -4.786 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.334 1.557 -5.001 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.633 2.948 -5.046 1.00 0.00 O ATOM 0 H GLU A 4 1.765 1.216 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 4 3.548 1.099 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.101 -0.959 -4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.558 -0.741 -5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.407 1.243 -3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.808 0.220 -3.421 1.00 0.00 H new ATOM 72 N MET A 5 1.274 -1.293 -6.771 1.00 0.00 N ATOM 73 CA MET A 5 0.623 -2.338 -7.553 1.00 0.00 C ATOM 74 C MET A 5 -0.011 -1.758 -8.813 1.00 0.00 C ATOM 75 O MET A 5 0.104 -2.329 -9.897 1.00 0.00 O ATOM 76 CB MET A 5 -0.440 -3.047 -6.712 1.00 0.00 C ATOM 77 CG MET A 5 0.134 -4.054 -5.729 1.00 0.00 C ATOM 78 SD MET A 5 0.271 -3.393 -4.057 1.00 0.00 S ATOM 79 CE MET A 5 1.917 -3.941 -3.610 1.00 0.00 C ATOM 0 H MET A 5 0.865 -1.139 -5.849 1.00 0.00 H new ATOM 0 HA MET A 5 1.382 -3.062 -7.850 1.00 0.00 H new ATOM 0 HB2 MET A 5 -1.013 -2.301 -6.162 1.00 0.00 H new ATOM 0 HB3 MET A 5 -1.137 -3.557 -7.377 1.00 0.00 H new ATOM 0 HG2 MET A 5 -0.498 -4.942 -5.714 1.00 0.00 H new ATOM 0 HG3 MET A 5 1.119 -4.370 -6.072 1.00 0.00 H new ATOM 0 HE1 MET A 5 2.149 -3.608 -2.598 1.00 0.00 H new ATOM 0 HE2 MET A 5 1.963 -5.029 -3.653 1.00 0.00 H new ATOM 0 HE3 MET A 5 2.642 -3.519 -4.306 1.00 0.00 H new ATOM 89 N VAL A 6 -0.681 -0.620 -8.663 1.00 0.00 N ATOM 90 CA VAL A 6 -1.334 0.038 -9.789 1.00 0.00 C ATOM 91 C VAL A 6 -0.313 0.487 -10.829 1.00 0.00 C ATOM 92 O VAL A 6 -0.501 0.283 -12.028 1.00 0.00 O ATOM 93 CB VAL A 6 -2.153 1.258 -9.328 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.927 1.852 -10.495 1.00 0.00 C ATOM 95 CG2 VAL A 6 -3.092 0.872 -8.196 1.00 0.00 C ATOM 0 H VAL A 6 -0.786 -0.134 -7.772 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.007 -0.693 -10.237 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.465 2.017 -8.955 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.500 2.713 -10.151 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.230 2.167 -11.271 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.607 1.102 -10.900 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.663 1.746 -7.883 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.776 0.096 -8.539 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.511 0.497 -7.353 1.00 0.00 H new ATOM 105 N LYS A 7 0.769 1.101 -10.361 1.00 0.00 N ATOM 106 CA LYS A 7 1.822 1.579 -11.249 1.00 0.00 C ATOM 107 C LYS A 7 2.448 0.423 -12.022 1.00 0.00 C ATOM 108 O LYS A 7 2.653 0.510 -13.233 1.00 0.00 O ATOM 109 CB LYS A 7 2.899 2.314 -10.448 1.00 0.00 C ATOM 110 CG LYS A 7 2.537 3.751 -10.118 1.00 0.00 C ATOM 111 CD LYS A 7 3.700 4.485 -9.472 1.00 0.00 C ATOM 112 CE LYS A 7 3.690 4.323 -7.959 1.00 0.00 C ATOM 113 NZ LYS A 7 4.227 5.528 -7.269 1.00 0.00 N ATOM 0 H LYS A 7 0.939 1.279 -9.371 1.00 0.00 H new ATOM 0 HA LYS A 7 1.374 2.270 -11.963 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.083 1.772 -9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.831 2.304 -11.013 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.239 4.270 -11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.678 3.766 -9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.639 4.105 -9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.650 5.544 -9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.671 4.135 -7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.284 3.452 -7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.203 5.378 -6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.208 5.694 -7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.645 6.355 -7.512 1.00 0.00 H new ATOM 127 N LYS A 8 2.749 -0.662 -11.315 1.00 0.00 N ATOM 128 CA LYS A 8 3.349 -1.837 -11.934 1.00 0.00 C ATOM 129 C LYS A 8 2.430 -2.419 -13.003 1.00 0.00 C ATOM 130 O LYS A 8 2.866 -2.715 -14.116 1.00 0.00 O ATOM 131 CB LYS A 8 3.652 -2.899 -10.874 1.00 0.00 C ATOM 132 CG LYS A 8 4.342 -4.133 -11.429 1.00 0.00 C ATOM 133 CD LYS A 8 5.655 -3.780 -12.107 1.00 0.00 C ATOM 134 CE LYS A 8 6.630 -3.135 -11.134 1.00 0.00 C ATOM 135 NZ LYS A 8 6.956 -4.038 -9.995 1.00 0.00 N ATOM 0 H LYS A 8 2.587 -0.751 -10.312 1.00 0.00 H new ATOM 0 HA LYS A 8 4.281 -1.530 -12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.281 -2.459 -10.100 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.720 -3.199 -10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.527 -4.841 -10.622 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.684 -4.629 -12.143 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.102 -4.681 -12.528 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.465 -3.100 -12.938 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.547 -2.869 -11.661 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.202 -2.208 -10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.766 -3.654 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.134 -4.109 -9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.195 -4.983 -10.358 1.00 0.00 H new ATOM 149 N CYS A 9 1.157 -2.578 -12.659 1.00 0.00 N ATOM 150 CA CYS A 9 0.175 -3.123 -13.589 1.00 0.00 C ATOM 151 C CYS A 9 0.103 -2.281 -14.859 1.00 0.00 C ATOM 152 O CYS A 9 0.142 -2.810 -15.971 1.00 0.00 O ATOM 153 CB CYS A 9 -1.202 -3.191 -12.929 1.00 0.00 C ATOM 154 SG CYS A 9 -1.911 -4.854 -12.868 1.00 0.00 S ATOM 0 H CYS A 9 0.781 -2.337 -11.742 1.00 0.00 H new ATOM 0 HA CYS A 9 0.489 -4.131 -13.860 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.126 -2.803 -11.913 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.885 -2.536 -13.470 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.075 -4.809 -12.290 1.00 0.00 H new ATOM 160 N LEU A 10 -0.004 -0.968 -14.686 1.00 0.00 N ATOM 161 CA LEU A 10 -0.084 -0.052 -15.818 1.00 0.00 C ATOM 162 C LEU A 10 1.145 -0.183 -16.713 1.00 0.00 C ATOM 163 O LEU A 10 1.032 -0.229 -17.937 1.00 0.00 O ATOM 164 CB LEU A 10 -0.217 1.390 -15.324 1.00 0.00 C ATOM 165 CG LEU A 10 -1.420 2.172 -15.853 1.00 0.00 C ATOM 166 CD1 LEU A 10 -1.508 2.057 -17.366 1.00 0.00 C ATOM 167 CD2 LEU A 10 -2.704 1.678 -15.203 1.00 0.00 C ATOM 0 H LEU A 10 -0.037 -0.514 -13.773 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.966 -0.313 -16.403 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.268 1.377 -14.235 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.690 1.931 -15.594 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.287 3.223 -15.597 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.370 2.620 -17.724 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.600 2.459 -17.815 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.617 1.009 -17.646 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.550 2.245 -15.591 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.842 0.621 -15.428 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.641 1.814 -14.123 1.00 0.00 H new ATOM 179 N GLY A 11 2.319 -0.245 -16.092 1.00 0.00 N ATOM 180 CA GLY A 11 3.552 -0.373 -16.847 1.00 0.00 C ATOM 181 C GLY A 11 3.578 -1.621 -17.707 1.00 0.00 C ATOM 182 O GLY A 11 3.937 -1.564 -18.883 1.00 0.00 O ATOM 0 H GLY A 11 2.438 -0.209 -15.080 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.679 0.504 -17.481 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.396 -0.393 -16.158 1.00 0.00 H new ATOM 186 N GLU A 12 3.198 -2.751 -17.119 1.00 0.00 N ATOM 187 CA GLU A 12 3.182 -4.019 -17.840 1.00 0.00 C ATOM 188 C GLU A 12 2.111 -4.013 -18.928 1.00 0.00 C ATOM 189 O GLU A 12 2.336 -4.495 -20.039 1.00 0.00 O ATOM 190 CB GLU A 12 2.936 -5.178 -16.873 1.00 0.00 C ATOM 191 CG GLU A 12 4.175 -5.602 -16.103 1.00 0.00 C ATOM 192 CD GLU A 12 3.911 -6.769 -15.171 1.00 0.00 C ATOM 193 OE1 GLU A 12 2.762 -6.907 -14.702 1.00 0.00 O ATOM 194 OE2 GLU A 12 4.856 -7.544 -14.910 1.00 0.00 O ATOM 0 H GLU A 12 2.897 -2.815 -16.146 1.00 0.00 H new ATOM 0 HA GLU A 12 4.155 -4.151 -18.313 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.159 -4.890 -16.165 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.556 -6.033 -17.433 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.961 -5.875 -16.808 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.546 -4.756 -15.524 1.00 0.00 H new ATOM 201 N LEU A 13 0.947 -3.464 -18.600 1.00 0.00 N ATOM 202 CA LEU A 13 -0.160 -3.395 -19.548 1.00 0.00 C ATOM 203 C LEU A 13 0.178 -2.471 -20.714 1.00 0.00 C ATOM 204 O LEU A 13 -0.304 -2.661 -21.831 1.00 0.00 O ATOM 205 CB LEU A 13 -1.428 -2.905 -18.846 1.00 0.00 C ATOM 206 CG LEU A 13 -2.616 -3.868 -18.858 1.00 0.00 C ATOM 207 CD1 LEU A 13 -2.197 -5.240 -18.352 1.00 0.00 C ATOM 208 CD2 LEU A 13 -3.759 -3.315 -18.020 1.00 0.00 C ATOM 0 H LEU A 13 0.745 -3.060 -17.685 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.333 -4.397 -19.941 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.181 -2.678 -17.809 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.739 -1.970 -19.312 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.963 -3.973 -19.886 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.056 -5.911 -18.368 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.412 -5.640 -18.993 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.823 -5.153 -17.332 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.596 -4.013 -18.040 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.424 -3.180 -16.992 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.077 -2.355 -18.427 1.00 0.00 H new ATOM 220 N THR A 14 1.012 -1.471 -20.447 1.00 0.00 N ATOM 221 CA THR A 14 1.416 -0.518 -21.474 1.00 0.00 C ATOM 222 C THR A 14 2.227 -1.202 -22.569 1.00 0.00 C ATOM 223 O THR A 14 1.951 -1.030 -23.756 1.00 0.00 O ATOM 224 CB THR A 14 2.248 0.632 -20.876 1.00 0.00 C ATOM 225 OG1 THR A 14 1.459 1.372 -19.938 1.00 0.00 O ATOM 226 CG2 THR A 14 2.749 1.562 -21.971 1.00 0.00 C ATOM 0 H THR A 14 1.421 -1.300 -19.528 1.00 0.00 H new ATOM 0 HA THR A 14 0.502 -0.109 -21.904 1.00 0.00 H new ATOM 0 HB THR A 14 3.109 0.201 -20.365 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.212 0.791 -19.188 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.334 2.367 -21.526 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.373 1.002 -22.667 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.899 1.985 -22.506 1.00 0.00 H new ATOM 234 N GLU A 15 3.227 -1.976 -22.162 1.00 0.00 N ATOM 235 CA GLU A 15 4.078 -2.685 -23.111 1.00 0.00 C ATOM 236 C GLU A 15 3.303 -3.798 -23.810 1.00 0.00 C ATOM 237 O GLU A 15 3.471 -4.030 -25.008 1.00 0.00 O ATOM 238 CB GLU A 15 5.299 -3.269 -22.398 1.00 0.00 C ATOM 239 CG GLU A 15 4.952 -4.073 -21.156 1.00 0.00 C ATOM 240 CD GLU A 15 6.157 -4.776 -20.560 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.000 -4.088 -19.947 1.00 0.00 O ATOM 242 OE2 GLU A 15 6.256 -6.012 -20.707 1.00 0.00 O ATOM 0 H GLU A 15 3.468 -2.128 -21.183 1.00 0.00 H new ATOM 0 HA GLU A 15 4.413 -1.971 -23.863 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.844 -3.907 -23.093 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.969 -2.456 -22.119 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.516 -3.410 -20.409 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.192 -4.813 -21.407 1.00 0.00 H new ATOM 249 N VAL A 16 2.454 -4.486 -23.053 1.00 0.00 N ATOM 250 CA VAL A 16 1.652 -5.574 -23.599 1.00 0.00 C ATOM 251 C VAL A 16 0.613 -5.051 -24.584 1.00 0.00 C ATOM 252 O VAL A 16 0.403 -5.634 -25.649 1.00 0.00 O ATOM 253 CB VAL A 16 0.937 -6.359 -22.483 1.00 0.00 C ATOM 254 CG1 VAL A 16 0.052 -7.445 -23.076 1.00 0.00 C ATOM 255 CG2 VAL A 16 1.950 -6.954 -21.517 1.00 0.00 C ATOM 0 H VAL A 16 2.304 -4.309 -22.060 1.00 0.00 H new ATOM 0 HA VAL A 16 2.338 -6.242 -24.120 1.00 0.00 H new ATOM 0 HB VAL A 16 0.302 -5.669 -21.928 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.445 -7.989 -22.272 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.697 -6.990 -23.724 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.663 -8.135 -23.657 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.427 -7.505 -20.735 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.613 -7.630 -22.056 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.537 -6.154 -21.066 1.00 0.00 H new ATOM 265 N CYS A 17 -0.035 -3.950 -24.222 1.00 0.00 N ATOM 266 CA CYS A 17 -1.054 -3.347 -25.074 1.00 0.00 C ATOM 267 C CYS A 17 -0.433 -2.781 -26.347 1.00 0.00 C ATOM 268 O CYS A 17 -0.959 -2.969 -27.444 1.00 0.00 O ATOM 269 CB CYS A 17 -1.793 -2.242 -24.317 1.00 0.00 C ATOM 270 SG CYS A 17 -3.069 -2.847 -23.188 1.00 0.00 S ATOM 0 H CYS A 17 0.127 -3.456 -23.344 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.765 -4.124 -25.353 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.068 -1.658 -23.750 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.252 -1.566 -25.039 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.534 -3.122 -22.036 1.00 0.00 H new ATOM 276 N LYS A 18 0.688 -2.085 -26.193 1.00 0.00 N ATOM 277 CA LYS A 18 1.382 -1.491 -27.329 1.00 0.00 C ATOM 278 C LYS A 18 1.956 -2.569 -28.242 1.00 0.00 C ATOM 279 O LYS A 18 2.006 -2.403 -29.461 1.00 0.00 O ATOM 280 CB LYS A 18 2.503 -0.569 -26.843 1.00 0.00 C ATOM 281 CG LYS A 18 3.861 -1.246 -26.778 1.00 0.00 C ATOM 282 CD LYS A 18 4.873 -0.393 -26.032 1.00 0.00 C ATOM 283 CE LYS A 18 6.157 -1.162 -25.759 1.00 0.00 C ATOM 284 NZ LYS A 18 7.004 -0.483 -24.740 1.00 0.00 N ATOM 0 H LYS A 18 1.136 -1.918 -25.292 1.00 0.00 H new ATOM 0 HA LYS A 18 0.659 -0.906 -27.898 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.567 0.293 -27.507 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.247 -0.190 -25.853 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.764 -2.213 -26.284 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.221 -1.439 -27.788 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.099 0.499 -26.616 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.442 -0.056 -25.089 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.912 -2.167 -25.416 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.720 -1.269 -26.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.869 -1.038 -24.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.259 0.467 -25.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.476 -0.403 -23.847 1.00 0.00 H new ATOM 298 N SER A 19 2.388 -3.675 -27.644 1.00 0.00 N ATOM 299 CA SER A 19 2.961 -4.781 -28.403 1.00 0.00 C ATOM 300 C SER A 19 1.894 -5.470 -29.249 1.00 0.00 C ATOM 301 O SER A 19 2.101 -5.738 -30.433 1.00 0.00 O ATOM 302 CB SER A 19 3.611 -5.793 -27.459 1.00 0.00 C ATOM 303 OG SER A 19 4.374 -6.746 -28.179 1.00 0.00 O ATOM 0 H SER A 19 2.352 -3.829 -26.636 1.00 0.00 H new ATOM 0 HA SER A 19 3.723 -4.375 -29.069 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.252 -5.272 -26.748 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.840 -6.302 -26.880 1.00 0.00 H new ATOM 0 HG SER A 19 4.780 -7.381 -27.552 1.00 0.00 H new ATOM 309 N LEU A 20 0.752 -5.754 -28.632 1.00 0.00 N ATOM 310 CA LEU A 20 -0.349 -6.412 -29.327 1.00 0.00 C ATOM 311 C LEU A 20 -0.927 -5.508 -30.411 1.00 0.00 C ATOM 312 O LEU A 20 -1.232 -5.961 -31.513 1.00 0.00 O ATOM 313 CB LEU A 20 -1.445 -6.800 -28.333 1.00 0.00 C ATOM 314 CG LEU A 20 -1.591 -8.295 -28.045 1.00 0.00 C ATOM 315 CD1 LEU A 20 -0.268 -8.880 -27.577 1.00 0.00 C ATOM 316 CD2 LEU A 20 -2.679 -8.534 -27.007 1.00 0.00 C ATOM 0 H LEU A 20 0.564 -5.539 -27.653 1.00 0.00 H new ATOM 0 HA LEU A 20 0.040 -7.313 -29.801 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.252 -6.286 -27.391 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.398 -6.428 -28.710 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.880 -8.797 -28.968 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.391 -9.944 -27.377 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.486 -8.741 -28.352 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.051 -8.374 -26.666 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.769 -9.603 -26.814 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.419 -8.019 -26.082 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.629 -8.151 -27.381 1.00 0.00 H new ATOM 328 N GLY A 21 -1.073 -4.226 -30.090 1.00 0.00 N ATOM 329 CA GLY A 21 -1.612 -3.278 -31.048 1.00 0.00 C ATOM 330 C GLY A 21 -0.640 -2.973 -32.171 1.00 0.00 C ATOM 331 O GLY A 21 -1.050 -2.673 -33.292 1.00 0.00 O ATOM 0 H GLY A 21 -0.828 -3.827 -29.184 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.535 -3.676 -31.469 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.870 -2.352 -30.533 1.00 0.00 H new ATOM 335 N LYS A 22 0.652 -3.046 -31.869 1.00 0.00 N ATOM 336 CA LYS A 22 1.686 -2.775 -32.860 1.00 0.00 C ATOM 337 C LYS A 22 1.764 -3.900 -33.887 1.00 0.00 C ATOM 338 O LYS A 22 1.809 -3.653 -35.092 1.00 0.00 O ATOM 339 CB LYS A 22 3.043 -2.599 -32.176 1.00 0.00 C ATOM 340 CG LYS A 22 3.319 -1.173 -31.730 1.00 0.00 C ATOM 341 CD LYS A 22 4.581 -1.087 -30.888 1.00 0.00 C ATOM 342 CE LYS A 22 5.804 -1.544 -31.668 1.00 0.00 C ATOM 343 NZ LYS A 22 6.046 -3.006 -31.513 1.00 0.00 N ATOM 0 H LYS A 22 1.008 -3.291 -30.945 1.00 0.00 H new ATOM 0 HA LYS A 22 1.425 -1.852 -33.378 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.092 -3.258 -31.309 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.830 -2.915 -32.861 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.419 -0.530 -32.605 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.471 -0.800 -31.156 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.726 -0.060 -30.551 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.467 -1.702 -29.995 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.671 -1.308 -32.724 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.680 -0.993 -31.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.962 -3.159 -31.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.288 -3.424 -30.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.057 -3.457 -32.450 1.00 0.00 H new ATOM 357 N VAL A 23 1.779 -5.138 -33.402 1.00 0.00 N ATOM 358 CA VAL A 23 1.849 -6.301 -34.278 1.00 0.00 C ATOM 359 C VAL A 23 0.588 -6.429 -35.124 1.00 0.00 C ATOM 360 O VAL A 23 0.652 -6.770 -36.306 1.00 0.00 O ATOM 361 CB VAL A 23 2.046 -7.599 -33.472 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.394 -7.590 -32.766 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.913 -7.783 -32.473 1.00 0.00 C ATOM 0 H VAL A 23 1.744 -5.361 -32.407 1.00 0.00 H new ATOM 0 HA VAL A 23 2.708 -6.153 -34.932 1.00 0.00 H new ATOM 0 HB VAL A 23 2.030 -8.441 -34.164 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.515 -8.515 -32.202 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.191 -7.508 -33.505 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.442 -6.740 -32.085 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.068 -8.705 -31.912 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.894 -6.938 -31.784 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.036 -7.838 -33.006 1.00 0.00 H new ATOM 373 N PHE A 24 -0.559 -6.152 -34.513 1.00 0.00 N ATOM 374 CA PHE A 24 -1.837 -6.236 -35.210 1.00 0.00 C ATOM 375 C PHE A 24 -2.044 -5.024 -36.115 1.00 0.00 C ATOM 376 O PHE A 24 -2.950 -5.004 -36.947 1.00 0.00 O ATOM 377 CB PHE A 24 -2.986 -6.337 -34.204 1.00 0.00 C ATOM 378 CG PHE A 24 -4.029 -7.348 -34.586 1.00 0.00 C ATOM 379 CD1 PHE A 24 -3.737 -8.702 -34.576 1.00 0.00 C ATOM 380 CD2 PHE A 24 -5.302 -6.944 -34.955 1.00 0.00 C ATOM 381 CE1 PHE A 24 -4.695 -9.635 -34.926 1.00 0.00 C ATOM 382 CE2 PHE A 24 -6.264 -7.872 -35.305 1.00 0.00 C ATOM 383 CZ PHE A 24 -5.960 -9.219 -35.292 1.00 0.00 C ATOM 0 H PHE A 24 -0.630 -5.867 -33.536 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.826 -7.133 -35.829 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.581 -6.597 -33.226 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.458 -5.360 -34.104 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.749 -9.033 -34.291 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.545 -5.892 -34.969 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.455 -10.688 -34.913 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.253 -7.544 -35.589 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.710 -9.946 -35.567 1.00 0.00 H new ATOM 393 N GLY A 25 -1.196 -4.014 -35.944 1.00 0.00 N ATOM 394 CA GLY A 25 -1.302 -2.813 -36.751 1.00 0.00 C ATOM 395 C GLY A 25 -2.548 -2.011 -36.435 1.00 0.00 C ATOM 396 O GLY A 25 -3.415 -1.833 -37.292 1.00 0.00 O ATOM 0 H GLY A 25 -0.438 -4.006 -35.261 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.422 -2.191 -36.588 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.308 -3.087 -37.806 1.00 0.00 H new ATOM 400 N VAL A 26 -2.642 -1.526 -35.201 1.00 0.00 N ATOM 401 CA VAL A 26 -3.792 -0.739 -34.774 1.00 0.00 C ATOM 402 C VAL A 26 -3.368 0.399 -33.852 1.00 0.00 C ATOM 403 O VAL A 26 -2.179 0.601 -33.604 1.00 0.00 O ATOM 404 CB VAL A 26 -4.832 -1.613 -34.048 1.00 0.00 C ATOM 405 CG1 VAL A 26 -5.362 -2.694 -34.976 1.00 0.00 C ATOM 406 CG2 VAL A 26 -4.229 -2.225 -32.792 1.00 0.00 C ATOM 0 H VAL A 26 -1.935 -1.665 -34.479 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.243 -0.323 -35.675 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.669 -0.981 -33.751 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.095 -3.301 -34.446 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.833 -2.231 -35.843 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.538 -3.326 -35.306 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.977 -2.839 -32.291 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.374 -2.844 -33.063 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.903 -1.431 -32.120 1.00 0.00 H new ATOM 416 N HIS A 27 -4.348 1.140 -33.345 1.00 0.00 N ATOM 417 CA HIS A 27 -4.077 2.258 -32.448 1.00 0.00 C ATOM 418 C HIS A 27 -4.186 1.823 -30.990 1.00 0.00 C ATOM 419 O HIS A 27 -4.883 0.860 -30.669 1.00 0.00 O ATOM 420 CB HIS A 27 -5.046 3.408 -32.724 1.00 0.00 C ATOM 421 CG HIS A 27 -4.720 4.180 -33.965 1.00 0.00 C ATOM 422 ND1 HIS A 27 -3.982 3.657 -35.006 1.00 0.00 N ATOM 423 CD2 HIS A 27 -5.039 5.444 -34.330 1.00 0.00 C ATOM 424 CE1 HIS A 27 -3.859 4.566 -35.956 1.00 0.00 C ATOM 425 NE2 HIS A 27 -4.492 5.660 -35.571 1.00 0.00 N ATOM 0 H HIS A 27 -5.337 0.986 -33.540 1.00 0.00 H new ATOM 0 HA HIS A 27 -3.058 2.600 -32.631 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.057 3.008 -32.809 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.043 4.088 -31.872 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.616 6.151 -33.753 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.331 4.437 -36.889 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.563 6.524 -36.108 1.00 0.00 H new ATOM 433 N TYR A 28 -3.494 2.539 -30.111 1.00 0.00 N ATOM 434 CA TYR A 28 -3.511 2.225 -28.687 1.00 0.00 C ATOM 435 C TYR A 28 -4.873 2.539 -28.076 1.00 0.00 C ATOM 436 O TYR A 28 -5.380 1.790 -27.242 1.00 0.00 O ATOM 437 CB TYR A 28 -2.420 3.010 -27.957 1.00 0.00 C ATOM 438 CG TYR A 28 -2.610 4.509 -28.015 1.00 0.00 C ATOM 439 CD1 TYR A 28 -2.101 5.253 -29.073 1.00 0.00 C ATOM 440 CD2 TYR A 28 -3.298 5.181 -27.013 1.00 0.00 C ATOM 441 CE1 TYR A 28 -2.271 6.623 -29.130 1.00 0.00 C ATOM 442 CE2 TYR A 28 -3.475 6.550 -27.063 1.00 0.00 C ATOM 443 CZ TYR A 28 -2.960 7.267 -28.123 1.00 0.00 C ATOM 444 OH TYR A 28 -3.133 8.631 -28.175 1.00 0.00 O ATOM 0 H TYR A 28 -2.914 3.341 -30.359 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.319 1.158 -28.574 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.395 2.696 -26.914 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.452 2.758 -28.390 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.563 4.752 -29.864 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.701 4.624 -26.181 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.867 7.186 -29.958 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.014 7.057 -26.276 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.640 8.927 -27.390 1.00 0.00 H new ATOM 454 N PHE A 29 -5.462 3.653 -28.499 1.00 0.00 N ATOM 455 CA PHE A 29 -6.765 4.068 -27.995 1.00 0.00 C ATOM 456 C PHE A 29 -7.878 3.214 -28.596 1.00 0.00 C ATOM 457 O PHE A 29 -9.038 3.320 -28.201 1.00 0.00 O ATOM 458 CB PHE A 29 -7.012 5.545 -28.313 1.00 0.00 C ATOM 459 CG PHE A 29 -7.484 6.342 -27.131 1.00 0.00 C ATOM 460 CD1 PHE A 29 -8.528 5.884 -26.342 1.00 0.00 C ATOM 461 CD2 PHE A 29 -6.884 7.548 -26.807 1.00 0.00 C ATOM 462 CE1 PHE A 29 -8.965 6.616 -25.254 1.00 0.00 C ATOM 463 CE2 PHE A 29 -7.316 8.284 -25.720 1.00 0.00 C ATOM 464 CZ PHE A 29 -8.357 7.817 -24.942 1.00 0.00 C ATOM 0 H PHE A 29 -5.057 4.284 -29.190 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.769 3.930 -26.914 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.090 5.985 -28.693 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.753 5.618 -29.109 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.005 4.945 -26.580 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.069 7.917 -27.411 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.781 6.250 -24.648 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.840 9.223 -25.479 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.695 8.390 -24.091 1.00 0.00 H new ATOM 474 N ASN A 30 -7.514 2.368 -29.554 1.00 0.00 N ATOM 475 CA ASN A 30 -8.481 1.495 -30.211 1.00 0.00 C ATOM 476 C ASN A 30 -8.568 0.148 -29.501 1.00 0.00 C ATOM 477 O ASN A 30 -9.527 -0.602 -29.686 1.00 0.00 O ATOM 478 CB ASN A 30 -8.098 1.288 -31.678 1.00 0.00 C ATOM 479 CG ASN A 30 -8.876 2.195 -32.612 1.00 0.00 C ATOM 480 OD1 ASN A 30 -9.020 3.391 -32.357 1.00 0.00 O ATOM 481 ND2 ASN A 30 -9.383 1.628 -33.700 1.00 0.00 N ATOM 0 H ASN A 30 -6.557 2.268 -29.893 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.459 1.975 -30.162 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.031 1.473 -31.802 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.276 0.249 -31.954 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.917 2.188 -34.365 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.239 0.633 -33.871 1.00 0.00 H new ATOM 488 N ILE A 31 -7.560 -0.153 -28.689 1.00 0.00 N ATOM 489 CA ILE A 31 -7.524 -1.409 -27.950 1.00 0.00 C ATOM 490 C ILE A 31 -7.787 -1.182 -26.465 1.00 0.00 C ATOM 491 O ILE A 31 -8.342 -2.043 -25.783 1.00 0.00 O ATOM 492 CB ILE A 31 -6.168 -2.121 -28.117 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.019 -1.137 -27.886 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.066 -2.748 -29.499 1.00 0.00 C ATOM 495 CD1 ILE A 31 -3.700 -1.811 -27.579 1.00 0.00 C ATOM 0 H ILE A 31 -6.758 0.456 -28.526 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.311 -2.041 -28.363 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.097 -2.915 -27.373 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.902 -0.513 -28.772 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.280 -0.474 -27.061 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.103 -3.247 -29.602 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.867 -3.475 -29.629 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.155 -1.971 -30.258 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.931 -1.054 -27.427 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.800 -2.413 -26.676 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.417 -2.453 -28.413 1.00 0.00 H new ATOM 507 N PHE A 32 -7.386 -0.015 -25.971 1.00 0.00 N ATOM 508 CA PHE A 32 -7.579 0.327 -24.567 1.00 0.00 C ATOM 509 C PHE A 32 -7.773 1.831 -24.395 1.00 0.00 C ATOM 510 O PHE A 32 -7.172 2.631 -25.111 1.00 0.00 O ATOM 511 CB PHE A 32 -6.382 -0.142 -23.736 1.00 0.00 C ATOM 512 CG PHE A 32 -5.133 0.655 -23.982 1.00 0.00 C ATOM 513 CD1 PHE A 32 -4.952 1.887 -23.376 1.00 0.00 C ATOM 514 CD2 PHE A 32 -4.140 0.171 -24.818 1.00 0.00 C ATOM 515 CE1 PHE A 32 -3.803 2.623 -23.600 1.00 0.00 C ATOM 516 CE2 PHE A 32 -2.989 0.902 -25.046 1.00 0.00 C ATOM 517 CZ PHE A 32 -2.820 2.129 -24.435 1.00 0.00 C ATOM 0 H PHE A 32 -6.926 0.709 -26.522 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.478 -0.180 -24.216 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.639 -0.083 -22.678 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.184 -1.191 -23.958 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.717 2.277 -22.721 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.267 -0.789 -25.297 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.674 3.583 -23.123 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.223 0.514 -25.701 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.921 2.701 -24.610 1.00 0.00 H new ATOM 527 N ASN A 33 -8.617 2.207 -23.440 1.00 0.00 N ATOM 528 CA ASN A 33 -8.892 3.615 -23.174 1.00 0.00 C ATOM 529 C ASN A 33 -8.331 4.032 -21.818 1.00 0.00 C ATOM 530 O ASN A 33 -8.056 3.191 -20.961 1.00 0.00 O ATOM 531 CB ASN A 33 -10.399 3.878 -23.218 1.00 0.00 C ATOM 532 CG ASN A 33 -11.062 3.245 -24.426 1.00 0.00 C ATOM 533 OD1 ASN A 33 -11.316 2.040 -24.447 1.00 0.00 O ATOM 534 ND2 ASN A 33 -11.345 4.055 -25.439 1.00 0.00 N ATOM 0 H ASN A 33 -9.122 1.557 -22.838 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.403 4.208 -23.947 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.859 3.490 -22.309 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.577 4.953 -23.231 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.791 3.685 -26.278 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.116 5.047 -25.378 1.00 0.00 H new ATOM 541 N THR A 34 -8.163 5.337 -21.629 1.00 0.00 N ATOM 542 CA THR A 34 -7.635 5.866 -20.378 1.00 0.00 C ATOM 543 C THR A 34 -8.407 5.324 -19.181 1.00 0.00 C ATOM 544 O THR A 34 -7.823 4.756 -18.258 1.00 0.00 O ATOM 545 CB THR A 34 -7.687 7.406 -20.353 1.00 0.00 C ATOM 546 OG1 THR A 34 -6.963 7.938 -21.468 1.00 0.00 O ATOM 547 CG2 THR A 34 -7.101 7.946 -19.057 1.00 0.00 C ATOM 0 H THR A 34 -8.385 6.047 -22.327 1.00 0.00 H new ATOM 0 HA THR A 34 -6.596 5.543 -20.313 1.00 0.00 H new ATOM 0 HB THR A 34 -8.731 7.714 -20.417 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.002 8.917 -21.446 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.148 9.035 -19.062 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.672 7.562 -18.212 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.062 7.629 -18.967 1.00 0.00 H new ATOM 555 N VAL A 35 -9.724 5.501 -19.203 1.00 0.00 N ATOM 556 CA VAL A 35 -10.577 5.027 -18.120 1.00 0.00 C ATOM 557 C VAL A 35 -10.465 3.516 -17.953 1.00 0.00 C ATOM 558 O VAL A 35 -10.480 3.000 -16.835 1.00 0.00 O ATOM 559 CB VAL A 35 -12.052 5.397 -18.364 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.924 4.902 -17.220 1.00 0.00 C ATOM 561 CG2 VAL A 35 -12.201 6.900 -18.547 1.00 0.00 C ATOM 0 H VAL A 35 -10.223 5.969 -19.959 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.233 5.517 -17.209 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.384 4.908 -19.280 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.962 5.173 -17.411 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.840 3.818 -17.141 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.595 5.360 -16.287 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.250 7.143 -18.718 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.851 7.412 -17.651 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.609 7.223 -19.403 1.00 0.00 H new ATOM 571 N THR A 36 -10.352 2.809 -19.073 1.00 0.00 N ATOM 572 CA THR A 36 -10.238 1.356 -19.052 1.00 0.00 C ATOM 573 C THR A 36 -9.013 0.912 -18.260 1.00 0.00 C ATOM 574 O THR A 36 -9.108 0.063 -17.373 1.00 0.00 O ATOM 575 CB THR A 36 -10.150 0.778 -20.477 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.135 1.392 -21.316 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.356 -0.729 -20.464 1.00 0.00 C ATOM 0 H THR A 36 -10.337 3.220 -20.007 1.00 0.00 H new ATOM 0 HA THR A 36 -11.138 0.976 -18.569 1.00 0.00 H new ATOM 0 HB THR A 36 -9.155 0.989 -20.870 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.072 1.021 -22.221 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.289 -1.114 -21.482 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.587 -1.196 -19.848 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.339 -0.958 -20.053 1.00 0.00 H new ATOM 585 N LEU A 37 -7.863 1.493 -18.584 1.00 0.00 N ATOM 586 CA LEU A 37 -6.618 1.158 -17.901 1.00 0.00 C ATOM 587 C LEU A 37 -6.709 1.478 -16.413 1.00 0.00 C ATOM 588 O LEU A 37 -6.327 0.669 -15.567 1.00 0.00 O ATOM 589 CB LEU A 37 -5.449 1.920 -18.528 1.00 0.00 C ATOM 590 CG LEU A 37 -5.177 1.635 -20.005 1.00 0.00 C ATOM 591 CD1 LEU A 37 -3.865 2.271 -20.439 1.00 0.00 C ATOM 592 CD2 LEU A 37 -5.156 0.136 -20.265 1.00 0.00 C ATOM 0 H LEU A 37 -7.767 2.198 -19.315 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.448 0.087 -18.013 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.634 2.988 -18.413 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.546 1.690 -17.962 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.983 2.074 -20.593 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.688 2.057 -21.493 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.917 3.350 -20.291 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.048 1.862 -19.844 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.961 -0.047 -21.322 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.372 -0.326 -19.666 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.120 -0.294 -19.994 1.00 0.00 H new ATOM 604 N LYS A 38 -7.221 2.663 -16.099 1.00 0.00 N ATOM 605 CA LYS A 38 -7.367 3.091 -14.712 1.00 0.00 C ATOM 606 C LYS A 38 -8.221 2.102 -13.925 1.00 0.00 C ATOM 607 O LYS A 38 -7.918 1.781 -12.776 1.00 0.00 O ATOM 608 CB LYS A 38 -7.994 4.486 -14.651 1.00 0.00 C ATOM 609 CG LYS A 38 -7.406 5.369 -13.564 1.00 0.00 C ATOM 610 CD LYS A 38 -8.005 6.765 -13.596 1.00 0.00 C ATOM 611 CE LYS A 38 -9.506 6.734 -13.354 1.00 0.00 C ATOM 612 NZ LYS A 38 -10.095 8.101 -13.341 1.00 0.00 N ATOM 0 H LYS A 38 -7.542 3.345 -16.786 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.375 3.126 -14.261 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.864 4.976 -15.616 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.067 4.386 -14.486 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.587 4.917 -12.589 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.325 5.433 -13.690 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.526 7.385 -12.838 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.801 7.228 -14.562 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.987 6.139 -14.131 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.710 6.242 -12.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.119 8.036 -13.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.655 8.661 -12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.923 8.562 -14.257 1.00 0.00 H new ATOM 626 N LYS A 39 -9.290 1.622 -14.551 1.00 0.00 N ATOM 627 CA LYS A 39 -10.188 0.668 -13.911 1.00 0.00 C ATOM 628 C LYS A 39 -9.473 -0.652 -13.637 1.00 0.00 C ATOM 629 O LYS A 39 -9.532 -1.182 -12.527 1.00 0.00 O ATOM 630 CB LYS A 39 -11.416 0.422 -14.791 1.00 0.00 C ATOM 631 CG LYS A 39 -12.720 0.369 -14.014 1.00 0.00 C ATOM 632 CD LYS A 39 -13.032 1.703 -13.357 1.00 0.00 C ATOM 633 CE LYS A 39 -14.475 2.118 -13.595 1.00 0.00 C ATOM 634 NZ LYS A 39 -15.060 2.799 -12.407 1.00 0.00 N ATOM 0 H LYS A 39 -9.556 1.878 -15.502 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.510 1.092 -12.960 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.480 1.212 -15.539 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.285 -0.517 -15.329 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.534 0.094 -14.685 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.659 -0.408 -13.252 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.844 1.635 -12.285 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.363 2.468 -13.750 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.524 2.784 -14.456 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.070 1.238 -13.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.044 3.066 -12.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.037 2.154 -11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.508 3.653 -12.189 1.00 0.00 H new ATOM 648 N LEU A 40 -8.798 -1.176 -14.653 1.00 0.00 N ATOM 649 CA LEU A 40 -8.070 -2.433 -14.521 1.00 0.00 C ATOM 650 C LEU A 40 -7.071 -2.366 -13.370 1.00 0.00 C ATOM 651 O LEU A 40 -7.143 -3.152 -12.426 1.00 0.00 O ATOM 652 CB LEU A 40 -7.340 -2.762 -15.825 1.00 0.00 C ATOM 653 CG LEU A 40 -8.220 -2.917 -17.066 1.00 0.00 C ATOM 654 CD1 LEU A 40 -7.401 -2.711 -18.330 1.00 0.00 C ATOM 655 CD2 LEU A 40 -8.889 -4.284 -17.078 1.00 0.00 C ATOM 0 H LEU A 40 -8.739 -0.750 -15.578 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.792 -3.221 -14.306 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.610 -1.976 -16.018 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.782 -3.687 -15.682 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.998 -2.154 -17.034 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.044 -2.825 -19.203 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.970 -1.710 -18.325 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.601 -3.450 -18.370 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.511 -4.377 -17.968 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.126 -5.062 -17.086 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.510 -4.393 -16.189 1.00 0.00 H new ATOM 667 N ALA A 41 -6.142 -1.419 -13.454 1.00 0.00 N ATOM 668 CA ALA A 41 -5.132 -1.247 -12.417 1.00 0.00 C ATOM 669 C ALA A 41 -5.777 -1.035 -11.052 1.00 0.00 C ATOM 670 O ALA A 41 -5.306 -1.562 -10.045 1.00 0.00 O ATOM 671 CB ALA A 41 -4.220 -0.078 -12.758 1.00 0.00 C ATOM 0 H ALA A 41 -6.068 -0.760 -14.229 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.536 -2.158 -12.371 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.471 0.039 -11.975 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.724 -0.269 -13.710 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.811 0.835 -12.834 1.00 0.00 H new ATOM 677 N GLU A 42 -6.858 -0.261 -11.026 1.00 0.00 N ATOM 678 CA GLU A 42 -7.566 0.021 -9.783 1.00 0.00 C ATOM 679 C GLU A 42 -8.096 -1.266 -9.156 1.00 0.00 C ATOM 680 O GLU A 42 -7.968 -1.479 -7.950 1.00 0.00 O ATOM 681 CB GLU A 42 -8.722 0.991 -10.037 1.00 0.00 C ATOM 682 CG GLU A 42 -8.338 2.451 -9.872 1.00 0.00 C ATOM 683 CD GLU A 42 -9.262 3.194 -8.927 1.00 0.00 C ATOM 684 OE1 GLU A 42 -9.281 2.854 -7.725 1.00 0.00 O ATOM 685 OE2 GLU A 42 -9.966 4.116 -9.389 1.00 0.00 O ATOM 0 H GLU A 42 -7.262 0.182 -11.851 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.862 0.480 -9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.100 0.835 -11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.537 0.759 -9.352 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.316 2.514 -9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.352 2.939 -10.847 1.00 0.00 H new ATOM 692 N SER A 43 -8.691 -2.119 -9.983 1.00 0.00 N ATOM 693 CA SER A 43 -9.244 -3.383 -9.509 1.00 0.00 C ATOM 694 C SER A 43 -8.131 -4.353 -9.124 1.00 0.00 C ATOM 695 O SER A 43 -8.139 -4.925 -8.033 1.00 0.00 O ATOM 696 CB SER A 43 -10.133 -4.009 -10.585 1.00 0.00 C ATOM 697 OG SER A 43 -11.312 -3.247 -10.780 1.00 0.00 O ATOM 0 H SER A 43 -8.803 -1.958 -10.984 1.00 0.00 H new ATOM 0 HA SER A 43 -9.846 -3.179 -8.623 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.581 -4.077 -11.523 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.397 -5.026 -10.296 1.00 0.00 H new ATOM 0 HG SER A 43 -11.110 -2.469 -11.341 1.00 0.00 H new ATOM 703 N LEU A 44 -7.174 -4.534 -10.028 1.00 0.00 N ATOM 704 CA LEU A 44 -6.053 -5.435 -9.785 1.00 0.00 C ATOM 705 C LEU A 44 -6.544 -6.804 -9.326 1.00 0.00 C ATOM 706 O LEU A 44 -6.495 -7.126 -8.139 1.00 0.00 O ATOM 707 CB LEU A 44 -5.113 -4.839 -8.736 1.00 0.00 C ATOM 708 CG LEU A 44 -3.914 -4.058 -9.275 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.489 -2.983 -8.286 1.00 0.00 C ATOM 710 CD2 LEU A 44 -2.755 -4.998 -9.573 1.00 0.00 C ATOM 0 H LEU A 44 -7.152 -4.069 -10.935 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.510 -5.560 -10.722 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.692 -4.177 -8.092 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.741 -5.649 -8.108 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.210 -3.572 -10.205 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.635 -2.437 -8.686 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.316 -2.292 -8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.212 -3.448 -7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.911 -4.425 -9.956 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.460 -5.513 -8.659 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.063 -5.731 -10.318 1.00 0.00 H new ATOM 722 N SER A 45 -7.015 -7.607 -10.275 1.00 0.00 N ATOM 723 CA SER A 45 -7.517 -8.941 -9.968 1.00 0.00 C ATOM 724 C SER A 45 -7.779 -9.731 -11.247 1.00 0.00 C ATOM 725 O SER A 45 -8.324 -9.202 -12.215 1.00 0.00 O ATOM 726 CB SER A 45 -8.800 -8.849 -9.140 1.00 0.00 C ATOM 727 OG SER A 45 -8.576 -9.262 -7.803 1.00 0.00 O ATOM 0 H SER A 45 -7.059 -7.357 -11.263 1.00 0.00 H new ATOM 0 HA SER A 45 -6.756 -9.464 -9.388 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.170 -7.824 -9.150 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.573 -9.471 -9.591 1.00 0.00 H new ATOM 0 HG SER A 45 -7.828 -8.754 -7.425 1.00 0.00 H new ATOM 733 N SER A 46 -7.386 -11.001 -11.242 1.00 0.00 N ATOM 734 CA SER A 46 -7.574 -11.864 -12.402 1.00 0.00 C ATOM 735 C SER A 46 -9.058 -12.101 -12.668 1.00 0.00 C ATOM 736 O SER A 46 -9.459 -12.393 -13.794 1.00 0.00 O ATOM 737 CB SER A 46 -6.862 -13.201 -12.190 1.00 0.00 C ATOM 738 OG SER A 46 -6.148 -13.210 -10.966 1.00 0.00 O ATOM 0 H SER A 46 -6.935 -11.455 -10.447 1.00 0.00 H new ATOM 0 HA SER A 46 -7.143 -11.365 -13.269 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.592 -14.010 -12.195 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.176 -13.386 -13.016 1.00 0.00 H new ATOM 0 HG SER A 46 -6.770 -13.369 -10.226 1.00 0.00 H new ATOM 744 N ASP A 47 -9.867 -11.973 -11.622 1.00 0.00 N ATOM 745 CA ASP A 47 -11.307 -12.172 -11.741 1.00 0.00 C ATOM 746 C ASP A 47 -11.859 -11.433 -12.957 1.00 0.00 C ATOM 747 O ASP A 47 -11.984 -10.208 -12.966 1.00 0.00 O ATOM 748 CB ASP A 47 -12.016 -11.694 -10.473 1.00 0.00 C ATOM 749 CG ASP A 47 -11.755 -12.601 -9.287 1.00 0.00 C ATOM 750 OD1 ASP A 47 -10.572 -12.888 -9.010 1.00 0.00 O ATOM 751 OD2 ASP A 47 -12.733 -13.025 -8.636 1.00 0.00 O ATOM 0 H ASP A 47 -9.550 -11.732 -10.683 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.492 -13.238 -11.871 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.684 -10.684 -10.234 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.089 -11.642 -10.658 1.00 0.00 H new ATOM 756 N PRO A 48 -12.198 -12.194 -14.008 1.00 0.00 N ATOM 757 CA PRO A 48 -12.742 -11.633 -15.248 1.00 0.00 C ATOM 758 C PRO A 48 -14.153 -11.084 -15.066 1.00 0.00 C ATOM 759 O PRO A 48 -14.698 -10.441 -15.963 1.00 0.00 O ATOM 760 CB PRO A 48 -12.753 -12.829 -16.204 1.00 0.00 C ATOM 761 CG PRO A 48 -12.832 -14.022 -15.316 1.00 0.00 C ATOM 762 CD PRO A 48 -12.077 -13.660 -14.067 1.00 0.00 C ATOM 0 HA PRO A 48 -12.153 -10.789 -15.606 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.604 -12.785 -16.884 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.854 -12.852 -16.819 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.868 -14.270 -15.087 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.394 -14.896 -15.797 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.508 -14.135 -13.185 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.035 -13.975 -14.122 1.00 0.00 H new ATOM 770 N GLU A 49 -14.738 -11.342 -13.901 1.00 0.00 N ATOM 771 CA GLU A 49 -16.086 -10.874 -13.603 1.00 0.00 C ATOM 772 C GLU A 49 -16.109 -9.358 -13.430 1.00 0.00 C ATOM 773 O GLU A 49 -16.950 -8.668 -14.008 1.00 0.00 O ATOM 774 CB GLU A 49 -16.618 -11.550 -12.338 1.00 0.00 C ATOM 775 CG GLU A 49 -17.173 -12.944 -12.580 1.00 0.00 C ATOM 776 CD GLU A 49 -18.617 -12.924 -13.043 1.00 0.00 C ATOM 777 OE1 GLU A 49 -18.925 -12.172 -13.991 1.00 0.00 O ATOM 778 OE2 GLU A 49 -19.438 -13.660 -12.457 1.00 0.00 O ATOM 0 H GLU A 49 -14.300 -11.873 -13.148 1.00 0.00 H new ATOM 0 HA GLU A 49 -16.728 -11.137 -14.444 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -15.815 -11.610 -11.603 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.400 -10.927 -11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.562 -13.449 -13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.098 -13.526 -11.661 1.00 0.00 H new ATOM 785 N VAL A 50 -15.179 -8.845 -12.631 1.00 0.00 N ATOM 786 CA VAL A 50 -15.092 -7.411 -12.381 1.00 0.00 C ATOM 787 C VAL A 50 -14.696 -6.656 -13.645 1.00 0.00 C ATOM 788 O VAL A 50 -15.125 -5.523 -13.866 1.00 0.00 O ATOM 789 CB VAL A 50 -14.075 -7.096 -11.269 1.00 0.00 C ATOM 790 CG1 VAL A 50 -14.638 -7.475 -9.907 1.00 0.00 C ATOM 791 CG2 VAL A 50 -12.760 -7.815 -11.530 1.00 0.00 C ATOM 0 H VAL A 50 -14.475 -9.401 -12.146 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.082 -7.085 -12.061 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.883 -6.023 -11.270 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.905 -7.245 -9.134 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.551 -6.910 -9.721 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.861 -8.542 -9.890 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.053 -7.581 -10.734 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.933 -8.891 -11.557 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.351 -7.489 -12.486 1.00 0.00 H new ATOM 801 N LEU A 51 -13.874 -7.292 -14.474 1.00 0.00 N ATOM 802 CA LEU A 51 -13.419 -6.681 -15.718 1.00 0.00 C ATOM 803 C LEU A 51 -14.575 -6.519 -16.700 1.00 0.00 C ATOM 804 O LEU A 51 -14.691 -5.496 -17.376 1.00 0.00 O ATOM 805 CB LEU A 51 -12.313 -7.528 -16.350 1.00 0.00 C ATOM 806 CG LEU A 51 -11.235 -8.043 -15.397 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.272 -8.966 -16.129 1.00 0.00 C ATOM 808 CD2 LEU A 51 -10.485 -6.882 -14.762 1.00 0.00 C ATOM 0 H LEU A 51 -13.510 -8.230 -14.307 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.023 -5.692 -15.485 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.775 -8.385 -16.841 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.830 -6.937 -17.128 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.720 -8.612 -14.604 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.511 -9.323 -15.435 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.820 -9.816 -16.535 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.793 -8.421 -16.943 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.721 -7.268 -14.087 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.012 -6.285 -15.541 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.184 -6.260 -14.202 1.00 0.00 H new ATOM 820 N LEU A 52 -15.430 -7.533 -16.771 1.00 0.00 N ATOM 821 CA LEU A 52 -16.580 -7.503 -17.668 1.00 0.00 C ATOM 822 C LEU A 52 -17.489 -6.320 -17.349 1.00 0.00 C ATOM 823 O LEU A 52 -18.240 -5.854 -18.205 1.00 0.00 O ATOM 824 CB LEU A 52 -17.369 -8.809 -17.563 1.00 0.00 C ATOM 825 CG LEU A 52 -18.422 -9.047 -18.646 1.00 0.00 C ATOM 826 CD1 LEU A 52 -17.780 -9.041 -20.025 1.00 0.00 C ATOM 827 CD2 LEU A 52 -19.152 -10.360 -18.401 1.00 0.00 C ATOM 0 H LEU A 52 -15.349 -8.386 -16.218 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.211 -7.390 -18.687 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -16.663 -9.639 -17.583 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -17.864 -8.834 -16.592 1.00 0.00 H new ATOM 0 HG LEU A 52 -19.150 -8.237 -18.603 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.544 -9.212 -20.783 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.304 -8.076 -20.201 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.031 -9.831 -20.081 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -19.898 -10.513 -19.181 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -18.437 -11.182 -18.416 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -19.645 -10.326 -17.430 1.00 0.00 H new ATOM 839 N GLN A 53 -17.413 -5.839 -16.112 1.00 0.00 N ATOM 840 CA GLN A 53 -18.228 -4.710 -15.681 1.00 0.00 C ATOM 841 C GLN A 53 -17.603 -3.389 -16.117 1.00 0.00 C ATOM 842 O GLN A 53 -18.287 -2.369 -16.214 1.00 0.00 O ATOM 843 CB GLN A 53 -18.401 -4.729 -14.161 1.00 0.00 C ATOM 844 CG GLN A 53 -19.193 -5.923 -13.654 1.00 0.00 C ATOM 845 CD GLN A 53 -19.586 -5.785 -12.196 1.00 0.00 C ATOM 846 OE1 GLN A 53 -20.770 -5.712 -11.865 1.00 0.00 O ATOM 847 NE2 GLN A 53 -18.593 -5.750 -11.315 1.00 0.00 N ATOM 0 H GLN A 53 -16.796 -6.213 -15.391 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.207 -4.801 -16.152 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -17.417 -4.730 -13.692 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -18.902 -3.812 -13.849 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -20.092 -6.042 -14.259 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -18.600 -6.829 -13.783 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -17.626 -5.814 -11.634 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -18.797 -5.660 -10.320 1.00 0.00 H new ATOM 856 N ILE A 54 -16.300 -3.415 -16.379 1.00 0.00 N ATOM 857 CA ILE A 54 -15.583 -2.219 -16.805 1.00 0.00 C ATOM 858 C ILE A 54 -15.932 -1.853 -18.244 1.00 0.00 C ATOM 859 O ILE A 54 -15.830 -2.683 -19.148 1.00 0.00 O ATOM 860 CB ILE A 54 -14.059 -2.406 -16.689 1.00 0.00 C ATOM 861 CG1 ILE A 54 -13.671 -2.729 -15.245 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.335 -1.158 -17.171 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.208 -3.074 -15.075 1.00 0.00 C ATOM 0 H ILE A 54 -15.720 -4.251 -16.304 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.893 -1.411 -16.142 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.761 -3.243 -17.321 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.910 -1.874 -14.613 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.276 -3.564 -14.893 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.259 -1.305 -17.083 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.591 -0.968 -18.213 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.636 -0.305 -16.562 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.005 -3.291 -14.026 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.968 -3.948 -15.680 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.596 -2.231 -15.396 1.00 0.00 H new ATOM 875 N ASP A 55 -16.341 -0.606 -18.448 1.00 0.00 N ATOM 876 CA ASP A 55 -16.701 -0.128 -19.778 1.00 0.00 C ATOM 877 C ASP A 55 -15.579 -0.399 -20.776 1.00 0.00 C ATOM 878 O ASP A 55 -14.456 0.075 -20.606 1.00 0.00 O ATOM 879 CB ASP A 55 -17.015 1.368 -19.738 1.00 0.00 C ATOM 880 CG ASP A 55 -17.570 1.879 -21.053 1.00 0.00 C ATOM 881 OD1 ASP A 55 -17.921 1.044 -21.913 1.00 0.00 O ATOM 882 OD2 ASP A 55 -17.655 3.113 -21.222 1.00 0.00 O ATOM 0 H ASP A 55 -16.432 0.092 -17.710 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.590 -0.669 -20.103 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.734 1.564 -18.943 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.108 1.920 -19.491 1.00 0.00 H new ATOM 887 N GLY A 56 -15.891 -1.165 -21.817 1.00 0.00 N ATOM 888 CA GLY A 56 -14.898 -1.487 -22.825 1.00 0.00 C ATOM 889 C GLY A 56 -14.207 -2.809 -22.558 1.00 0.00 C ATOM 890 O GLY A 56 -12.983 -2.908 -22.644 1.00 0.00 O ATOM 0 H GLY A 56 -16.814 -1.568 -21.980 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.377 -1.522 -23.804 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.153 -0.692 -22.863 1.00 0.00 H new ATOM 894 N VAL A 57 -14.994 -3.830 -22.230 1.00 0.00 N ATOM 895 CA VAL A 57 -14.451 -5.153 -21.948 1.00 0.00 C ATOM 896 C VAL A 57 -15.382 -6.249 -22.455 1.00 0.00 C ATOM 897 O VAL A 57 -16.306 -6.667 -21.757 1.00 0.00 O ATOM 898 CB VAL A 57 -14.214 -5.353 -20.440 1.00 0.00 C ATOM 899 CG1 VAL A 57 -13.684 -6.752 -20.163 1.00 0.00 C ATOM 900 CG2 VAL A 57 -13.258 -4.297 -19.906 1.00 0.00 C ATOM 0 H VAL A 57 -16.009 -3.765 -22.153 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.497 -5.221 -22.470 1.00 0.00 H new ATOM 0 HB VAL A 57 -15.167 -5.242 -19.923 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.523 -6.874 -19.092 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.408 -7.490 -20.508 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.741 -6.895 -20.691 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.102 -4.454 -18.839 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.304 -4.373 -20.427 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.682 -3.306 -20.069 1.00 0.00 H new ATOM 910 N THR A 58 -15.133 -6.712 -23.676 1.00 0.00 N ATOM 911 CA THR A 58 -15.949 -7.759 -24.278 1.00 0.00 C ATOM 912 C THR A 58 -15.261 -9.115 -24.182 1.00 0.00 C ATOM 913 O THR A 58 -14.070 -9.197 -23.883 1.00 0.00 O ATOM 914 CB THR A 58 -16.253 -7.453 -25.757 1.00 0.00 C ATOM 915 OG1 THR A 58 -16.297 -6.037 -25.966 1.00 0.00 O ATOM 916 CG2 THR A 58 -17.577 -8.074 -26.176 1.00 0.00 C ATOM 0 H THR A 58 -14.372 -6.378 -24.268 1.00 0.00 H new ATOM 0 HA THR A 58 -16.886 -7.790 -23.721 1.00 0.00 H new ATOM 0 HB THR A 58 -15.458 -7.884 -26.365 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.489 -5.851 -26.909 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.771 -7.845 -27.224 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.530 -9.155 -26.044 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.380 -7.668 -25.561 1.00 0.00 H new ATOM 924 N GLU A 59 -16.018 -10.177 -24.439 1.00 0.00 N ATOM 925 CA GLU A 59 -15.479 -11.531 -24.381 1.00 0.00 C ATOM 926 C GLU A 59 -14.285 -11.682 -25.319 1.00 0.00 C ATOM 927 O GLU A 59 -13.260 -12.256 -24.949 1.00 0.00 O ATOM 928 CB GLU A 59 -16.560 -12.550 -24.747 1.00 0.00 C ATOM 929 CG GLU A 59 -17.049 -13.369 -23.565 1.00 0.00 C ATOM 930 CD GLU A 59 -18.512 -13.751 -23.684 1.00 0.00 C ATOM 931 OE1 GLU A 59 -19.368 -12.843 -23.618 1.00 0.00 O ATOM 932 OE2 GLU A 59 -18.801 -14.955 -23.843 1.00 0.00 O ATOM 0 H GLU A 59 -17.006 -10.126 -24.689 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.144 -11.718 -23.361 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.407 -12.026 -25.190 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.169 -13.224 -25.509 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.447 -14.274 -23.481 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.900 -12.800 -22.647 1.00 0.00 H new ATOM 939 N ASP A 60 -14.425 -11.163 -26.534 1.00 0.00 N ATOM 940 CA ASP A 60 -13.358 -11.239 -27.526 1.00 0.00 C ATOM 941 C ASP A 60 -12.163 -10.391 -27.103 1.00 0.00 C ATOM 942 O ASP A 60 -11.013 -10.817 -27.217 1.00 0.00 O ATOM 943 CB ASP A 60 -13.869 -10.778 -28.892 1.00 0.00 C ATOM 944 CG ASP A 60 -13.112 -11.417 -30.039 1.00 0.00 C ATOM 945 OD1 ASP A 60 -13.312 -12.626 -30.281 1.00 0.00 O ATOM 946 OD2 ASP A 60 -12.318 -10.710 -30.694 1.00 0.00 O ATOM 0 H ASP A 60 -15.267 -10.685 -26.856 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.036 -12.278 -27.599 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.928 -11.019 -28.981 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.782 -9.694 -28.962 1.00 0.00 H new ATOM 951 N LYS A 61 -12.441 -9.186 -26.616 1.00 0.00 N ATOM 952 CA LYS A 61 -11.390 -8.277 -26.176 1.00 0.00 C ATOM 953 C LYS A 61 -10.595 -8.881 -25.022 1.00 0.00 C ATOM 954 O LYS A 61 -9.365 -8.927 -25.059 1.00 0.00 O ATOM 955 CB LYS A 61 -11.992 -6.937 -25.748 1.00 0.00 C ATOM 956 CG LYS A 61 -12.323 -6.019 -26.912 1.00 0.00 C ATOM 957 CD LYS A 61 -12.193 -4.556 -26.523 1.00 0.00 C ATOM 958 CE LYS A 61 -12.316 -3.644 -27.734 1.00 0.00 C ATOM 959 NZ LYS A 61 -12.021 -2.225 -27.392 1.00 0.00 N ATOM 0 H LYS A 61 -13.386 -8.817 -26.516 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.712 -8.113 -27.014 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.899 -7.123 -25.173 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.292 -6.430 -25.084 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.657 -6.235 -27.747 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.339 -6.216 -27.255 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.964 -4.302 -25.795 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.231 -4.391 -26.039 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.631 -3.980 -28.513 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.324 -3.717 -28.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.116 -1.636 -28.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.691 -1.896 -26.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.050 -2.151 -27.026 1.00 0.00 H new ATOM 973 N LEU A 62 -11.306 -9.344 -23.999 1.00 0.00 N ATOM 974 CA LEU A 62 -10.667 -9.947 -22.835 1.00 0.00 C ATOM 975 C LEU A 62 -10.020 -11.280 -23.198 1.00 0.00 C ATOM 976 O LEU A 62 -9.063 -11.711 -22.556 1.00 0.00 O ATOM 977 CB LEU A 62 -11.690 -10.152 -21.716 1.00 0.00 C ATOM 978 CG LEU A 62 -12.814 -11.147 -22.008 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.360 -12.568 -21.710 1.00 0.00 C ATOM 980 CD2 LEU A 62 -14.056 -10.801 -21.199 1.00 0.00 C ATOM 0 H LEU A 62 -12.324 -9.313 -23.952 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.888 -9.269 -22.487 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.160 -10.485 -20.823 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.138 -9.187 -21.480 1.00 0.00 H new ATOM 0 HG LEU A 62 -13.065 -11.082 -23.067 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.173 -13.262 -21.924 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.500 -12.813 -22.333 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -12.081 -12.648 -20.659 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.846 -11.519 -21.419 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.819 -10.837 -20.136 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.394 -9.799 -21.462 1.00 0.00 H new ATOM 992 N GLU A 63 -10.550 -11.927 -24.232 1.00 0.00 N ATOM 993 CA GLU A 63 -10.022 -13.210 -24.681 1.00 0.00 C ATOM 994 C GLU A 63 -8.698 -13.027 -25.417 1.00 0.00 C ATOM 995 O GLU A 63 -7.816 -13.883 -25.354 1.00 0.00 O ATOM 996 CB GLU A 63 -11.032 -13.911 -25.591 1.00 0.00 C ATOM 997 CG GLU A 63 -10.504 -15.193 -26.214 1.00 0.00 C ATOM 998 CD GLU A 63 -11.526 -15.875 -27.101 1.00 0.00 C ATOM 999 OE1 GLU A 63 -12.513 -15.213 -27.486 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -11.340 -17.071 -27.410 1.00 0.00 O ATOM 0 H GLU A 63 -11.343 -11.584 -24.774 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.845 -13.829 -23.801 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.929 -14.139 -25.016 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.329 -13.226 -26.386 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.613 -14.967 -26.800 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.200 -15.879 -25.423 1.00 0.00 H new ATOM 1007 N LYS A 64 -8.568 -11.904 -26.116 1.00 0.00 N ATOM 1008 CA LYS A 64 -7.353 -11.606 -26.865 1.00 0.00 C ATOM 1009 C LYS A 64 -6.339 -10.877 -25.990 1.00 0.00 C ATOM 1010 O LYS A 64 -5.181 -11.284 -25.894 1.00 0.00 O ATOM 1011 CB LYS A 64 -7.683 -10.758 -28.096 1.00 0.00 C ATOM 1012 CG LYS A 64 -8.063 -11.579 -29.316 1.00 0.00 C ATOM 1013 CD LYS A 64 -9.382 -11.116 -29.911 1.00 0.00 C ATOM 1014 CE LYS A 64 -9.573 -11.645 -31.324 1.00 0.00 C ATOM 1015 NZ LYS A 64 -10.521 -12.794 -31.362 1.00 0.00 N ATOM 0 H LYS A 64 -9.289 -11.186 -26.179 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.915 -12.550 -27.188 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.504 -10.083 -27.853 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.821 -10.137 -28.340 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.277 -11.501 -30.067 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.137 -12.631 -29.039 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.205 -11.453 -29.281 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.415 -10.027 -29.922 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.946 -10.845 -31.964 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.610 -11.955 -31.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.147 -13.532 -31.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.636 -13.181 -30.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.444 -12.471 -31.718 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.782 -9.799 -25.352 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.912 -9.013 -24.484 1.00 0.00 C ATOM 1031 C TYR A 65 -6.095 -9.412 -23.023 1.00 0.00 C ATOM 1032 O TYR A 65 -5.128 -9.704 -22.322 1.00 0.00 O ATOM 1033 CB TYR A 65 -6.199 -7.521 -24.657 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.875 -7.181 -25.966 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -6.262 -7.465 -27.181 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -8.126 -6.577 -25.989 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -6.876 -7.156 -28.379 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -8.747 -6.266 -27.183 1.00 0.00 C ATOM 1039 CZ TYR A 65 -8.118 -6.557 -28.375 1.00 0.00 C ATOM 1040 OH TYR A 65 -8.733 -6.248 -29.567 1.00 0.00 O ATOM 0 H TYR A 65 -7.738 -9.449 -25.419 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.879 -9.213 -24.769 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.829 -7.183 -23.834 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.262 -6.969 -24.588 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.290 -7.935 -27.188 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.621 -6.347 -25.057 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.386 -7.382 -29.314 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.720 -5.797 -27.183 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.602 -5.832 -29.388 1.00 0.00 H new ATOM 1050 N GLY A 66 -7.346 -9.423 -22.571 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.635 -9.787 -21.197 1.00 0.00 C ATOM 1052 C GLY A 66 -6.848 -11.000 -20.741 1.00 0.00 C ATOM 1053 O GLY A 66 -6.499 -11.116 -19.567 1.00 0.00 O ATOM 0 H GLY A 66 -8.164 -9.186 -23.133 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.407 -8.944 -20.545 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.701 -9.990 -21.095 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.569 -11.906 -21.672 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.817 -13.116 -21.359 1.00 0.00 C ATOM 1059 C ALA A 67 -4.534 -12.785 -20.605 1.00 0.00 C ATOM 1060 O ALA A 67 -4.289 -13.312 -19.520 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.500 -13.884 -22.634 1.00 0.00 C ATOM 0 H ALA A 67 -6.852 -11.826 -22.649 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.434 -13.742 -20.715 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.939 -14.785 -22.386 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.429 -14.161 -23.132 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.905 -13.257 -23.298 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.719 -11.911 -21.187 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.460 -11.513 -20.568 1.00 0.00 C ATOM 1069 C GLU A 68 -2.706 -10.822 -19.230 1.00 0.00 C ATOM 1070 O GLU A 68 -1.930 -10.978 -18.286 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.681 -10.581 -21.500 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.396 -11.185 -22.865 1.00 0.00 C ATOM 1073 CD GLU A 68 -0.264 -12.193 -22.831 1.00 0.00 C ATOM 1074 OE1 GLU A 68 0.175 -12.555 -21.720 1.00 0.00 O ATOM 1075 OE2 GLU A 68 0.182 -12.621 -23.916 1.00 0.00 O ATOM 0 H GLU A 68 -3.908 -11.466 -22.085 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.871 -12.413 -20.390 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.245 -9.658 -21.631 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.737 -10.313 -21.026 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.298 -11.669 -23.239 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.147 -10.388 -23.566 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.791 -10.058 -19.155 1.00 0.00 N ATOM 1083 CA VAL A 69 -4.140 -9.343 -17.933 1.00 0.00 C ATOM 1084 C VAL A 69 -4.417 -10.313 -16.790 1.00 0.00 C ATOM 1085 O VAL A 69 -3.889 -10.156 -15.689 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.375 -8.446 -18.141 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.587 -7.542 -16.936 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -5.229 -7.626 -19.414 1.00 0.00 C ATOM 0 H VAL A 69 -4.444 -9.918 -19.926 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.285 -8.718 -17.676 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.253 -9.084 -18.246 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.464 -6.916 -17.101 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.739 -8.152 -16.046 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.710 -6.910 -16.797 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.110 -6.998 -19.545 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.342 -6.996 -19.341 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.130 -8.295 -20.269 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.247 -11.315 -17.059 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.593 -12.311 -16.052 1.00 0.00 C ATOM 1100 C ILE A 70 -4.373 -13.135 -15.653 1.00 0.00 C ATOM 1101 O ILE A 70 -4.163 -13.420 -14.474 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.697 -13.260 -16.555 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -7.954 -12.467 -16.921 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -7.014 -14.309 -15.501 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -9.127 -13.339 -17.308 1.00 0.00 C ATOM 0 H ILE A 70 -5.692 -11.459 -17.965 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.962 -11.767 -15.183 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.338 -13.769 -17.450 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.239 -11.843 -16.074 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.722 -11.796 -17.748 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.796 -14.972 -15.871 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.118 -14.890 -15.285 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.356 -13.818 -14.590 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.982 -12.710 -17.554 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.860 -13.944 -18.174 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.385 -13.992 -16.475 1.00 0.00 H new ATOM 1117 N SER A 71 -3.571 -13.512 -16.643 1.00 0.00 N ATOM 1118 CA SER A 71 -2.373 -14.305 -16.396 1.00 0.00 C ATOM 1119 C SER A 71 -1.422 -13.573 -15.454 1.00 0.00 C ATOM 1120 O SER A 71 -0.903 -14.155 -14.501 1.00 0.00 O ATOM 1121 CB SER A 71 -1.662 -14.619 -17.714 1.00 0.00 C ATOM 1122 OG SER A 71 -2.410 -15.538 -18.490 1.00 0.00 O ATOM 0 H SER A 71 -3.729 -13.281 -17.624 1.00 0.00 H new ATOM 0 HA SER A 71 -2.677 -15.239 -15.924 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.513 -13.699 -18.279 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.674 -15.031 -17.509 1.00 0.00 H new ATOM 0 HG SER A 71 -3.128 -15.063 -18.958 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.198 -12.292 -15.728 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.310 -11.478 -14.905 1.00 0.00 C ATOM 1130 C VAL A 72 -0.863 -11.317 -13.494 1.00 0.00 C ATOM 1131 O VAL A 72 -0.154 -11.529 -12.509 1.00 0.00 O ATOM 1132 CB VAL A 72 -0.095 -10.084 -15.523 1.00 0.00 C ATOM 1133 CG1 VAL A 72 0.794 -9.234 -14.627 1.00 0.00 C ATOM 1134 CG2 VAL A 72 0.501 -10.205 -16.917 1.00 0.00 C ATOM 0 H VAL A 72 -1.619 -11.795 -16.513 1.00 0.00 H new ATOM 0 HA VAL A 72 0.646 -11.999 -14.859 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.063 -9.591 -15.608 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.935 -8.253 -15.080 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.323 -9.119 -13.651 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.762 -9.721 -14.508 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.646 -9.210 -17.338 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.461 -10.718 -16.859 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.176 -10.774 -17.554 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.134 -10.941 -13.401 1.00 0.00 N ATOM 1145 CA LEU A 73 -2.784 -10.752 -12.109 1.00 0.00 C ATOM 1146 C LEU A 73 -2.796 -12.052 -11.311 1.00 0.00 C ATOM 1147 O LEU A 73 -2.778 -12.035 -10.080 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.214 -10.247 -12.305 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.356 -8.845 -12.898 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -5.760 -8.634 -13.441 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -4.021 -7.789 -11.854 1.00 0.00 C ATOM 0 H LEU A 73 -2.735 -10.761 -14.205 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.217 -10.009 -11.549 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.740 -10.948 -12.953 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.719 -10.264 -11.339 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.652 -8.748 -13.724 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.842 -7.631 -13.859 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.963 -9.369 -14.220 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.484 -8.751 -12.634 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.127 -6.797 -12.293 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.701 -7.886 -11.007 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.995 -7.927 -11.513 1.00 0.00 H new ATOM 1163 N GLN A 74 -2.825 -13.176 -12.019 1.00 0.00 N ATOM 1164 CA GLN A 74 -2.838 -14.484 -11.376 1.00 0.00 C ATOM 1165 C GLN A 74 -1.476 -14.806 -10.770 1.00 0.00 C ATOM 1166 O GLN A 74 -1.368 -15.103 -9.580 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.231 -15.567 -12.382 1.00 0.00 C ATOM 1168 CG GLN A 74 -4.653 -16.074 -12.206 1.00 0.00 C ATOM 1169 CD GLN A 74 -4.938 -16.532 -10.790 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.021 -16.834 -10.026 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.216 -16.586 -10.431 1.00 0.00 N ATOM 0 H GLN A 74 -2.840 -13.207 -13.038 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.576 -14.459 -10.574 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.117 -15.172 -13.391 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.541 -16.406 -12.288 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.353 -15.283 -12.476 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.827 -16.902 -12.894 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.944 -16.327 -11.097 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.469 -16.887 -9.490 1.00 0.00 H new ATOM 1180 N LYS A 75 -0.437 -14.746 -11.596 1.00 0.00 N ATOM 1181 CA LYS A 75 0.919 -15.030 -11.143 1.00 0.00 C ATOM 1182 C LYS A 75 1.321 -14.093 -10.009 1.00 0.00 C ATOM 1183 O LYS A 75 2.036 -14.489 -9.088 1.00 0.00 O ATOM 1184 CB LYS A 75 1.906 -14.895 -12.305 1.00 0.00 C ATOM 1185 CG LYS A 75 1.903 -13.519 -12.949 1.00 0.00 C ATOM 1186 CD LYS A 75 2.968 -13.405 -14.026 1.00 0.00 C ATOM 1187 CE LYS A 75 3.614 -12.028 -14.027 1.00 0.00 C ATOM 1188 NZ LYS A 75 4.704 -11.925 -13.018 1.00 0.00 N ATOM 0 H LYS A 75 -0.509 -14.503 -12.584 1.00 0.00 H new ATOM 0 HA LYS A 75 0.944 -16.054 -10.771 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.911 -15.116 -11.945 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.667 -15.642 -13.062 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.923 -13.322 -13.383 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.073 -12.759 -12.186 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.732 -14.166 -13.866 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.523 -13.600 -15.002 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.016 -11.816 -15.018 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.857 -11.272 -13.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.118 -10.972 -13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.317 -12.102 -12.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.440 -12.629 -13.228 1.00 0.00 H new ATOM 1202 N TYR A 76 0.857 -12.851 -10.081 1.00 0.00 N ATOM 1203 CA TYR A 76 1.169 -11.857 -9.061 1.00 0.00 C ATOM 1204 C TYR A 76 0.309 -12.064 -7.817 1.00 0.00 C ATOM 1205 O TYR A 76 0.706 -11.707 -6.708 1.00 0.00 O ATOM 1206 CB TYR A 76 0.958 -10.446 -9.611 1.00 0.00 C ATOM 1207 CG TYR A 76 0.136 -9.559 -8.704 1.00 0.00 C ATOM 1208 CD1 TYR A 76 0.738 -8.809 -7.701 1.00 0.00 C ATOM 1209 CD2 TYR A 76 -1.243 -9.470 -8.850 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -0.010 -7.997 -6.870 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -1.998 -8.660 -8.024 1.00 0.00 C ATOM 1212 CZ TYR A 76 -1.377 -7.926 -7.035 1.00 0.00 C ATOM 1213 OH TYR A 76 -2.125 -7.118 -6.210 1.00 0.00 O ATOM 0 H TYR A 76 0.263 -12.508 -10.836 1.00 0.00 H new ATOM 0 HA TYR A 76 2.216 -11.978 -8.782 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.930 -9.981 -9.777 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.467 -10.513 -10.582 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.809 -8.862 -7.569 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.733 -10.044 -9.623 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.474 -7.421 -6.095 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.069 -8.602 -8.152 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.071 -7.181 -6.460 1.00 0.00 H new ATOM 1223 N SER A 77 -0.871 -12.645 -8.012 1.00 0.00 N ATOM 1224 CA SER A 77 -1.790 -12.897 -6.908 1.00 0.00 C ATOM 1225 C SER A 77 -1.319 -14.082 -6.070 1.00 0.00 C ATOM 1226 O SER A 77 -1.617 -14.170 -4.879 1.00 0.00 O ATOM 1227 CB SER A 77 -3.199 -13.163 -7.441 1.00 0.00 C ATOM 1228 OG SER A 77 -4.051 -13.639 -6.413 1.00 0.00 O ATOM 0 H SER A 77 -1.213 -12.950 -8.923 1.00 0.00 H new ATOM 0 HA SER A 77 -1.810 -12.011 -6.274 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.611 -12.246 -7.864 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.154 -13.894 -8.248 1.00 0.00 H new ATOM 0 HG SER A 77 -4.946 -13.800 -6.778 1.00 0.00 H new