USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 725 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: B 58 SER OG : rot 180:sc= 0.482 USER MOD Set 1.2: B 61 ASN : amide:sc= 0.62 X(o=1.1,f=1.1) USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0.552 USER MOD Set 2.2: A 61 ASN : amide:sc= 0.615 X(o=1.2,f=1.1) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -118:sc= -0.168 (180deg=-0.34) USER MOD Single : A 52 SER OG : rot -58:sc= 1.03 USER MOD Single : A 53 LYS NZ :NH3+ -122:sc= 1.03 (180deg=-0.0878) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc=-0.00709 X(o=-0.0071,f=-0.024) USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.06) USER MOD Single : A 69 GLN : amide:sc= 0.74 K(o=0.74,f=-0.043) USER MOD Single : A 72 MET CE :methyl 171:sc= 0 (180deg=-0.146) USER MOD Single : A 78 ASN : amide:sc= 0.789 K(o=0.79,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 THR OG1 : rot -33:sc= 1.02 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 MET CE :methyl -118:sc= -0.162 (180deg=-0.332) USER MOD Single : B 52 SER OG : rot -31:sc= 1.02 USER MOD Single : B 53 LYS NZ :NH3+ -122:sc= 1.02 (180deg=-0.0883) USER MOD Single : B 54 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc=-0.00054 X(o=-0.00054,f=-0.21) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 66 GLN : amide:sc=-0.00747 X(o=-0.0075,f=-0.023) USER MOD Single : B 68 LYS NZ :NH3+ -175:sc= 1.2 (180deg=1.06) USER MOD Single : B 69 GLN : amide:sc= 0.732 K(o=0.73,f=-0.029) USER MOD Single : B 72 MET CE :methyl 169:sc=-1.57e-05 (180deg=-0.156) USER MOD Single : B 78 ASN : amide:sc= 0.787 K(o=0.79,f=0) USER MOD Single : B 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 40 -6.716 -13.717 -94.391 1.00 0.00 N ATOM 35 CA LEU A 40 -6.382 -12.527 -93.618 1.00 0.00 C ATOM 36 C LEU A 40 -4.874 -12.362 -93.484 1.00 0.00 C ATOM 37 O LEU A 40 -4.348 -11.256 -93.603 1.00 0.00 O ATOM 38 CB LEU A 40 -7.021 -12.605 -92.225 1.00 0.00 C ATOM 39 CG LEU A 40 -6.767 -11.401 -91.309 1.00 0.00 C ATOM 40 CD1 LEU A 40 -7.292 -10.136 -91.975 1.00 0.00 C ATOM 41 CD2 LEU A 40 -7.442 -11.633 -89.966 1.00 0.00 C ATOM 0 HA LEU A 40 -6.776 -11.661 -94.150 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.098 -12.726 -92.345 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.653 -13.502 -91.726 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.697 -11.281 -91.139 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.112 -9.280 -91.324 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.778 -9.985 -92.924 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.363 -10.236 -92.154 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.261 -10.777 -89.315 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.515 -11.756 -90.114 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.034 -12.532 -89.504 1.00 0.00 H new ATOM 53 N PRO A 41 -4.183 -13.469 -93.235 1.00 0.00 N ATOM 54 CA PRO A 41 -2.727 -13.460 -93.147 1.00 0.00 C ATOM 55 C PRO A 41 -2.105 -12.819 -94.381 1.00 0.00 C ATOM 56 O PRO A 41 -1.079 -12.145 -94.292 1.00 0.00 O ATOM 57 CB PRO A 41 -2.379 -14.948 -93.047 1.00 0.00 C ATOM 58 CG PRO A 41 -3.567 -15.559 -92.385 1.00 0.00 C ATOM 59 CD PRO A 41 -4.743 -14.839 -92.990 1.00 0.00 C ATOM 0 HA PRO A 41 -2.348 -12.878 -92.306 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.204 -15.383 -94.031 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.472 -15.106 -92.463 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.618 -16.632 -92.572 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.532 -15.425 -91.304 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.080 -15.312 -93.912 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.598 -14.815 -92.314 1.00 0.00 H new ATOM 67 N THR A 42 -2.732 -13.035 -95.533 1.00 0.00 N ATOM 68 CA THR A 42 -2.208 -12.529 -96.796 1.00 0.00 C ATOM 69 C THR A 42 -2.450 -11.031 -96.933 1.00 0.00 C ATOM 70 O THR A 42 -1.640 -10.312 -97.517 1.00 0.00 O ATOM 71 CB THR A 42 -2.837 -13.267 -97.993 1.00 0.00 C ATOM 72 OG1 THR A 42 -4.250 -13.028 -98.015 1.00 0.00 O ATOM 73 CG2 THR A 42 -2.582 -14.763 -97.891 1.00 0.00 C ATOM 0 H THR A 42 -3.604 -13.557 -95.618 1.00 0.00 H new ATOM 0 HA THR A 42 -1.133 -12.711 -96.795 1.00 0.00 H new ATOM 0 HB THR A 42 -2.383 -12.893 -98.911 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.649 -13.496 -98.778 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.033 -15.268 -98.745 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.508 -14.949 -97.885 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.021 -15.145 -96.970 1.00 0.00 H new ATOM 81 N LEU A 43 -3.571 -10.568 -96.392 1.00 0.00 N ATOM 82 CA LEU A 43 -3.823 -9.137 -96.260 1.00 0.00 C ATOM 83 C LEU A 43 -2.825 -8.487 -95.311 1.00 0.00 C ATOM 84 O LEU A 43 -2.345 -7.382 -95.561 1.00 0.00 O ATOM 85 CB LEU A 43 -5.251 -8.895 -95.754 1.00 0.00 C ATOM 86 CG LEU A 43 -6.373 -9.220 -96.748 1.00 0.00 C ATOM 87 CD1 LEU A 43 -7.720 -9.112 -96.046 1.00 0.00 C ATOM 88 CD2 LEU A 43 -6.295 -8.269 -97.932 1.00 0.00 C ATOM 0 H LEU A 43 -4.320 -11.162 -96.037 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.706 -8.685 -97.245 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.404 -9.491 -94.854 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.341 -7.849 -95.462 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.259 -10.239 -97.119 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.518 -9.343 -96.752 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.755 -9.817 -95.216 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.853 -8.099 -95.667 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.093 -8.501 -98.638 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.407 -7.243 -97.582 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.330 -8.381 -98.426 1.00 0.00 H new ATOM 100 N ARG A 44 -2.515 -9.181 -94.221 1.00 0.00 N ATOM 101 CA ARG A 44 -1.547 -8.687 -93.248 1.00 0.00 C ATOM 102 C ARG A 44 -0.154 -8.593 -93.856 1.00 0.00 C ATOM 103 O ARG A 44 0.582 -7.639 -93.601 1.00 0.00 O ATOM 104 CB ARG A 44 -1.504 -9.596 -92.028 1.00 0.00 C ATOM 105 CG ARG A 44 -2.739 -9.537 -91.142 1.00 0.00 C ATOM 106 CD ARG A 44 -2.760 -10.646 -90.155 1.00 0.00 C ATOM 107 NE ARG A 44 -1.731 -10.489 -89.140 1.00 0.00 N ATOM 108 CZ ARG A 44 -1.358 -11.450 -88.273 1.00 0.00 C ATOM 109 NH1 ARG A 44 -1.938 -12.630 -88.311 1.00 0.00 N ATOM 110 NH2 ARG A 44 -0.410 -11.209 -87.385 1.00 0.00 N ATOM 0 H ARG A 44 -2.920 -10.088 -93.989 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.866 -7.689 -92.946 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.364 -10.624 -92.363 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.632 -9.335 -91.429 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.765 -8.582 -90.617 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.634 -9.584 -91.762 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.738 -10.687 -89.676 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.618 -11.595 -90.672 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.258 -9.587 -89.080 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.670 -12.817 -88.997 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.656 -13.358 -87.655 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.040 -10.294 -87.355 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.129 -11.938 -86.729 1.00 0.00 H new ATOM 124 N LYS A 45 0.203 -9.588 -94.661 1.00 0.00 N ATOM 125 CA LYS A 45 1.465 -9.567 -95.391 1.00 0.00 C ATOM 126 C LYS A 45 1.487 -8.447 -96.423 1.00 0.00 C ATOM 127 O LYS A 45 2.502 -7.773 -96.600 1.00 0.00 O ATOM 128 CB LYS A 45 1.713 -10.914 -96.072 1.00 0.00 C ATOM 129 CG LYS A 45 2.062 -12.047 -95.117 1.00 0.00 C ATOM 130 CD LYS A 45 2.239 -13.363 -95.861 1.00 0.00 C ATOM 131 CE LYS A 45 2.570 -14.499 -94.906 1.00 0.00 C ATOM 132 NZ LYS A 45 2.732 -15.796 -95.618 1.00 0.00 N ATOM 0 H LYS A 45 -0.364 -10.420 -94.824 1.00 0.00 H new ATOM 0 HA LYS A 45 2.262 -9.382 -94.671 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.822 -11.192 -96.636 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.523 -10.800 -96.792 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.979 -11.804 -94.581 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.275 -12.152 -94.371 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.326 -13.599 -96.408 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.035 -13.262 -96.599 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.488 -14.264 -94.367 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.778 -14.590 -94.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.957 -16.544 -94.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.848 -16.034 -96.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.505 -15.718 -96.310 1.00 0.00 H new ATOM 146 N GLU A 46 0.362 -8.252 -97.101 1.00 0.00 N ATOM 147 CA GLU A 46 0.229 -7.175 -98.075 1.00 0.00 C ATOM 148 C GLU A 46 0.401 -5.812 -97.415 1.00 0.00 C ATOM 149 O GLU A 46 0.986 -4.900 -97.998 1.00 0.00 O ATOM 150 CB GLU A 46 -1.118 -7.257 -98.777 1.00 0.00 C ATOM 0 H GLU A 46 -0.473 -8.827 -96.994 1.00 0.00 H new ATOM 0 HA GLU A 46 1.019 -7.293 -98.817 1.00 0.00 H new ATOM 155 N LEU A 47 -0.113 -5.682 -96.197 1.00 0.00 N ATOM 156 CA LEU A 47 0.053 -4.457 -95.423 1.00 0.00 C ATOM 157 C LEU A 47 1.518 -4.218 -95.078 1.00 0.00 C ATOM 158 O LEU A 47 2.021 -3.101 -95.203 1.00 0.00 O ATOM 159 CB LEU A 47 -0.777 -4.528 -94.135 1.00 0.00 C ATOM 160 CG LEU A 47 -2.297 -4.431 -94.317 1.00 0.00 C ATOM 161 CD1 LEU A 47 -2.990 -4.807 -93.015 1.00 0.00 C ATOM 162 CD2 LEU A 47 -2.668 -3.018 -94.745 1.00 0.00 C ATOM 0 H LEU A 47 -0.648 -6.410 -95.724 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.297 -3.625 -96.034 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.549 -5.466 -93.629 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.457 -3.723 -93.473 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.624 -5.123 -95.093 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.070 -4.738 -93.145 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.722 -5.828 -92.742 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.675 -4.125 -92.225 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.748 -2.949 -94.874 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.348 -2.310 -93.980 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.174 -2.782 -95.687 1.00 0.00 H new ATOM 174 N MET A 48 2.198 -5.273 -94.644 1.00 0.00 N ATOM 175 CA MET A 48 3.623 -5.197 -94.345 1.00 0.00 C ATOM 176 C MET A 48 4.420 -4.760 -95.568 1.00 0.00 C ATOM 177 O MET A 48 5.363 -3.976 -95.460 1.00 0.00 O ATOM 178 CB MET A 48 4.129 -6.543 -93.832 1.00 0.00 C ATOM 179 CG MET A 48 3.606 -6.930 -92.456 1.00 0.00 C ATOM 180 SD MET A 48 4.149 -8.571 -91.941 1.00 0.00 S ATOM 181 CE MET A 48 5.891 -8.273 -91.647 1.00 0.00 C ATOM 0 H MET A 48 1.784 -6.193 -94.491 1.00 0.00 H new ATOM 0 HA MET A 48 3.765 -4.447 -93.567 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.848 -7.318 -94.545 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.218 -6.519 -93.799 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.941 -6.195 -91.724 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.516 -6.898 -92.464 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.485 -8.885 -92.326 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.114 -7.220 -91.819 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.136 -8.532 -90.617 1.00 0.00 H new ATOM 191 N GLU A 49 4.035 -5.272 -96.732 1.00 0.00 N ATOM 192 CA GLU A 49 4.692 -4.913 -97.983 1.00 0.00 C ATOM 193 C GLU A 49 4.669 -3.405 -98.203 1.00 0.00 C ATOM 194 O GLU A 49 5.714 -2.778 -98.374 1.00 0.00 O ATOM 195 CB GLU A 49 4.020 -5.620 -99.161 1.00 0.00 C ATOM 196 CG GLU A 49 4.629 -5.297-100.519 1.00 0.00 C ATOM 197 CD GLU A 49 3.939 -6.003-101.652 1.00 0.00 C ATOM 198 OE1 GLU A 49 3.112 -6.843-101.389 1.00 0.00 O ATOM 199 OE2 GLU A 49 4.239 -5.701-102.784 1.00 0.00 O ATOM 0 H GLU A 49 3.270 -5.938 -96.835 1.00 0.00 H new ATOM 0 HA GLU A 49 5.731 -5.236 -97.918 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.072 -6.697 -99.000 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.964 -5.350 -99.177 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.582 -4.221-100.686 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.683 -5.573-100.514 1.00 0.00 H new ATOM 206 N VAL A 50 3.473 -2.830 -98.197 1.00 0.00 N ATOM 207 CA VAL A 50 3.294 -1.430 -98.564 1.00 0.00 C ATOM 208 C VAL A 50 3.876 -0.504 -97.503 1.00 0.00 C ATOM 209 O VAL A 50 4.256 0.629 -97.796 1.00 0.00 O ATOM 210 CB VAL A 50 1.799 -1.113 -98.752 1.00 0.00 C ATOM 211 CG1 VAL A 50 1.233 -1.896 -99.928 1.00 0.00 C ATOM 212 CG2 VAL A 50 1.037 -1.433 -97.475 1.00 0.00 C ATOM 0 H VAL A 50 2.611 -3.312 -97.942 1.00 0.00 H new ATOM 0 HA VAL A 50 3.824 -1.264 -99.502 1.00 0.00 H new ATOM 0 HB VAL A 50 1.687 -0.050 -98.968 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.175 -1.660-100.047 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.770 -1.625-100.837 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.348 -2.964 -99.743 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.020 -1.206 -97.615 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.153 -2.490 -97.237 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.431 -0.832 -96.656 1.00 0.00 H new ATOM 222 N LEU A 51 3.944 -0.994 -96.270 1.00 0.00 N ATOM 223 CA LEU A 51 4.598 -0.264 -95.190 1.00 0.00 C ATOM 224 C LEU A 51 6.106 -0.218 -95.391 1.00 0.00 C ATOM 225 O LEU A 51 6.745 0.804 -95.141 1.00 0.00 O ATOM 226 CB LEU A 51 4.275 -0.916 -93.839 1.00 0.00 C ATOM 227 CG LEU A 51 3.155 -0.248 -93.030 1.00 0.00 C ATOM 228 CD1 LEU A 51 1.856 -0.302 -93.821 1.00 0.00 C ATOM 229 CD2 LEU A 51 3.010 -0.952 -91.689 1.00 0.00 C ATOM 0 H LEU A 51 3.554 -1.895 -95.993 1.00 0.00 H new ATOM 0 HA LEU A 51 4.219 0.758 -95.199 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.001 -1.956 -94.014 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.181 -0.923 -93.233 1.00 0.00 H new ATOM 0 HG LEU A 51 3.400 0.798 -92.845 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.060 0.172 -93.247 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.984 0.224 -94.767 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.592 -1.341 -94.017 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.215 -0.478 -91.113 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.764 -2.001 -91.854 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.948 -0.882 -91.138 1.00 0.00 H new ATOM 241 N SER A 52 6.672 -1.331 -95.846 1.00 0.00 N ATOM 242 CA SER A 52 8.104 -1.412 -96.107 1.00 0.00 C ATOM 243 C SER A 52 8.508 -0.490 -97.251 1.00 0.00 C ATOM 244 O SER A 52 9.631 0.011 -97.290 1.00 0.00 O ATOM 245 CB SER A 52 8.496 -2.840 -96.434 1.00 0.00 C ATOM 246 OG SER A 52 7.982 -3.230 -97.678 1.00 0.00 O ATOM 0 H SER A 52 6.159 -2.191 -96.042 1.00 0.00 H new ATOM 0 HA SER A 52 8.628 -1.091 -95.207 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.582 -2.930 -96.441 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.126 -3.509 -95.658 1.00 0.00 H new ATOM 0 HG SER A 52 7.006 -3.137 -97.673 1.00 0.00 H new ATOM 252 N LYS A 53 7.586 -0.272 -98.182 1.00 0.00 N ATOM 253 CA LYS A 53 7.887 0.467 -99.401 1.00 0.00 C ATOM 254 C LYS A 53 7.896 1.969 -99.146 1.00 0.00 C ATOM 255 O LYS A 53 8.692 2.703 -99.732 1.00 0.00 O ATOM 256 CB LYS A 53 6.879 0.126-100.499 1.00 0.00 C ATOM 257 CG LYS A 53 7.040 -1.268-101.091 1.00 0.00 C ATOM 258 CD LYS A 53 5.990 -1.541-102.156 1.00 0.00 C ATOM 259 CE LYS A 53 6.224 -2.883-102.835 1.00 0.00 C ATOM 260 NZ LYS A 53 5.157 -3.201-103.822 1.00 0.00 N ATOM 0 H LYS A 53 6.622 -0.598 -98.115 1.00 0.00 H new ATOM 0 HA LYS A 53 8.882 0.171 -99.732 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.872 0.221-100.093 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.970 0.860-101.300 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.035 -1.369-101.524 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.960 -2.013-100.299 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.999 -1.528-101.703 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.010 -0.746-102.901 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.191 -2.871-103.338 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.266 -3.669-102.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.706 -4.102-103.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.444 -2.444-103.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.574 -3.279-104.771 1.00 0.00 H new ATOM 274 N TYR A 54 7.006 2.420 -98.269 1.00 0.00 N ATOM 275 CA TYR A 54 6.844 3.845 -98.005 1.00 0.00 C ATOM 276 C TYR A 54 7.917 4.353 -97.049 1.00 0.00 C ATOM 277 O TYR A 54 8.445 5.452 -97.220 1.00 0.00 O ATOM 278 CB TYR A 54 5.452 4.130 -97.440 1.00 0.00 C ATOM 279 CG TYR A 54 4.358 4.137 -98.485 1.00 0.00 C ATOM 280 CD1 TYR A 54 3.235 3.341 -98.318 1.00 0.00 C ATOM 281 CD2 TYR A 54 4.478 4.939 -99.610 1.00 0.00 C ATOM 282 CE1 TYR A 54 2.236 3.346 -99.273 1.00 0.00 C ATOM 283 CE2 TYR A 54 3.480 4.944-100.565 1.00 0.00 C ATOM 284 CZ TYR A 54 2.363 4.152-100.399 1.00 0.00 C ATOM 285 OH TYR A 54 1.368 4.158-101.350 1.00 0.00 O ATOM 0 H TYR A 54 6.385 1.818 -97.728 1.00 0.00 H new ATOM 0 HA TYR A 54 6.955 4.375 -98.951 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.216 3.380 -96.685 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.466 5.096 -96.935 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.141 2.717 -97.442 1.00 0.00 H new ATOM 0 HD2 TYR A 54 5.352 5.560 -99.739 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.361 2.727 -99.145 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.574 5.568-101.441 1.00 0.00 H new ATOM 0 HH TYR A 54 1.610 4.775-102.072 1.00 0.00 H new ATOM 295 N VAL A 55 8.234 3.546 -96.042 1.00 0.00 N ATOM 296 CA VAL A 55 9.188 3.944 -95.013 1.00 0.00 C ATOM 297 C VAL A 55 10.580 3.404 -95.314 1.00 0.00 C ATOM 298 O VAL A 55 11.540 3.708 -94.606 1.00 0.00 O ATOM 299 CB VAL A 55 8.729 3.435 -93.634 1.00 0.00 C ATOM 300 CG1 VAL A 55 9.725 3.841 -92.558 1.00 0.00 C ATOM 301 CG2 VAL A 55 7.343 3.974 -93.317 1.00 0.00 C ATOM 0 H VAL A 55 7.844 2.612 -95.916 1.00 0.00 H new ATOM 0 HA VAL A 55 9.231 5.033 -95.004 1.00 0.00 H new ATOM 0 HB VAL A 55 8.682 2.346 -93.657 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.385 3.473 -91.590 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.701 3.414 -92.786 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.803 4.928 -92.526 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.026 3.609 -92.340 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.370 5.064 -93.307 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.639 3.636 -94.077 1.00 0.00 H new ATOM 311 N ASN A 56 10.683 2.601 -96.368 1.00 0.00 N ATOM 312 CA ASN A 56 11.972 2.098 -96.825 1.00 0.00 C ATOM 313 C ASN A 56 12.616 1.200 -95.776 1.00 0.00 C ATOM 314 O ASN A 56 13.839 1.177 -95.631 1.00 0.00 O ATOM 315 CB ASN A 56 12.897 3.247 -97.184 1.00 0.00 C ATOM 316 CG ASN A 56 12.366 4.084 -98.314 1.00 0.00 C ATOM 317 OD1 ASN A 56 11.911 3.555 -99.335 1.00 0.00 O ATOM 318 ND2 ASN A 56 12.416 5.382 -98.153 1.00 0.00 N ATOM 0 H ASN A 56 9.887 2.285 -96.922 1.00 0.00 H new ATOM 0 HA ASN A 56 11.800 1.499 -97.719 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.044 3.878 -96.307 1.00 0.00 H new ATOM 0 HB3 ASN A 56 13.874 2.850 -97.459 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.071 6.001 -98.887 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.800 5.775 -97.294 1.00 0.00 H new ATOM 325 N VAL A 57 11.787 0.461 -95.048 1.00 0.00 N ATOM 326 CA VAL A 57 12.276 -0.542 -94.110 1.00 0.00 C ATOM 327 C VAL A 57 12.082 -1.950 -94.658 1.00 0.00 C ATOM 328 O VAL A 57 11.490 -2.137 -95.721 1.00 0.00 O ATOM 329 CB VAL A 57 11.545 -0.414 -92.760 1.00 0.00 C ATOM 330 CG1 VAL A 57 11.841 0.934 -92.121 1.00 0.00 C ATOM 331 CG2 VAL A 57 10.050 -0.598 -92.962 1.00 0.00 C ATOM 0 H VAL A 57 10.771 0.538 -95.090 1.00 0.00 H new ATOM 0 HA VAL A 57 13.342 -0.368 -93.966 1.00 0.00 H new ATOM 0 HB VAL A 57 11.904 -1.193 -92.087 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.317 1.008 -91.168 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.914 1.029 -91.953 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.505 1.732 -92.783 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.539 -0.506 -92.003 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.679 0.165 -93.646 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.858 -1.585 -93.382 1.00 0.00 H new ATOM 341 N SER A 58 12.583 -2.939 -93.925 1.00 0.00 N ATOM 342 CA SER A 58 12.397 -4.337 -94.295 1.00 0.00 C ATOM 343 C SER A 58 11.256 -4.968 -93.506 1.00 0.00 C ATOM 344 O SER A 58 10.766 -4.390 -92.536 1.00 0.00 O ATOM 345 CB SER A 58 13.677 -5.114 -94.060 1.00 0.00 C ATOM 346 OG SER A 58 13.935 -5.255 -92.690 1.00 0.00 O ATOM 0 H SER A 58 13.122 -2.798 -93.070 1.00 0.00 H new ATOM 0 HA SER A 58 12.142 -4.374 -95.354 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.599 -6.098 -94.522 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.511 -4.602 -94.540 1.00 0.00 H new ATOM 0 HG SER A 58 14.765 -5.761 -92.564 1.00 0.00 H new ATOM 352 N LEU A 59 10.838 -6.157 -93.927 1.00 0.00 N ATOM 353 CA LEU A 59 9.745 -6.861 -93.270 1.00 0.00 C ATOM 354 C LEU A 59 10.109 -7.231 -91.838 1.00 0.00 C ATOM 355 O LEU A 59 9.236 -7.357 -90.979 1.00 0.00 O ATOM 356 CB LEU A 59 9.384 -8.129 -94.055 1.00 0.00 C ATOM 357 CG LEU A 59 8.790 -7.901 -95.451 1.00 0.00 C ATOM 358 CD1 LEU A 59 8.596 -9.241 -96.146 1.00 0.00 C ATOM 359 CD2 LEU A 59 7.470 -7.154 -95.325 1.00 0.00 C ATOM 0 H LEU A 59 11.241 -6.653 -94.722 1.00 0.00 H new ATOM 0 HA LEU A 59 8.885 -6.192 -93.244 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.282 -8.739 -94.157 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.671 -8.707 -93.467 1.00 0.00 H new ATOM 0 HG LEU A 59 9.471 -7.298 -96.052 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.174 -9.079 -97.138 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.558 -9.745 -96.239 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.917 -9.860 -95.560 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.048 -6.992 -96.317 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.775 -7.742 -94.726 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.641 -6.192 -94.842 1.00 0.00 H new ATOM 371 N ASP A 60 11.402 -7.400 -91.586 1.00 0.00 N ATOM 372 CA ASP A 60 11.884 -7.759 -90.258 1.00 0.00 C ATOM 373 C ASP A 60 11.717 -6.602 -89.281 1.00 0.00 C ATOM 374 O ASP A 60 11.762 -6.793 -88.065 1.00 0.00 O ATOM 375 CB ASP A 60 13.355 -8.178 -90.315 1.00 0.00 C ATOM 376 CG ASP A 60 13.562 -9.517 -91.012 1.00 0.00 C ATOM 377 OD1 ASP A 60 12.603 -10.228 -91.186 1.00 0.00 O ATOM 378 OD2 ASP A 60 14.679 -9.813 -91.363 1.00 0.00 O ATOM 0 H ASP A 60 12.137 -7.294 -92.286 1.00 0.00 H new ATOM 0 HA ASP A 60 11.286 -8.599 -89.906 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.927 -7.410 -90.836 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.751 -8.237 -89.301 1.00 0.00 H new ATOM 383 N ASN A 61 11.524 -5.402 -89.819 1.00 0.00 N ATOM 384 CA ASN A 61 11.360 -4.211 -88.995 1.00 0.00 C ATOM 385 C ASN A 61 9.890 -3.837 -88.855 1.00 0.00 C ATOM 386 O ASN A 61 9.558 -2.769 -88.341 1.00 0.00 O ATOM 387 CB ASN A 61 12.154 -3.051 -89.568 1.00 0.00 C ATOM 388 CG ASN A 61 13.637 -3.227 -89.397 1.00 0.00 C ATOM 389 OD1 ASN A 61 14.190 -2.941 -88.328 1.00 0.00 O ATOM 390 ND2 ASN A 61 14.294 -3.693 -90.429 1.00 0.00 N ATOM 0 H ASN A 61 11.477 -5.229 -90.823 1.00 0.00 H new ATOM 0 HA ASN A 61 11.745 -4.436 -88.000 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.924 -2.946 -90.628 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.843 -2.127 -89.081 1.00 0.00 H new ATOM 0 HD21 ASN A 61 15.303 -3.833 -90.370 1.00 0.00 H new ATOM 0 HD22 ASN A 61 13.797 -3.916 -91.292 1.00 0.00 H new ATOM 397 N ILE A 62 9.013 -4.721 -89.316 1.00 0.00 N ATOM 398 CA ILE A 62 7.578 -4.470 -89.276 1.00 0.00 C ATOM 399 C ILE A 62 6.856 -5.525 -88.447 1.00 0.00 C ATOM 400 O ILE A 62 7.134 -6.719 -88.566 1.00 0.00 O ATOM 401 CB ILE A 62 6.985 -4.440 -90.696 1.00 0.00 C ATOM 402 CG1 ILE A 62 7.646 -3.336 -91.527 1.00 0.00 C ATOM 403 CG2 ILE A 62 5.479 -4.237 -90.640 1.00 0.00 C ATOM 404 CD1 ILE A 62 7.289 -3.381 -92.995 1.00 0.00 C ATOM 0 H ILE A 62 9.272 -5.620 -89.723 1.00 0.00 H new ATOM 0 HA ILE A 62 7.433 -3.496 -88.808 1.00 0.00 H new ATOM 0 HB ILE A 62 7.184 -5.399 -91.175 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.356 -2.366 -91.122 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.728 -3.415 -91.423 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.076 -4.218 -91.653 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.022 -5.055 -90.083 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.257 -3.292 -90.144 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.795 -2.569 -93.517 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.604 -4.336 -93.417 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.211 -3.271 -93.111 1.00 0.00 H new ATOM 416 N ARG A 63 5.929 -5.078 -87.606 1.00 0.00 N ATOM 417 CA ARG A 63 5.089 -5.989 -86.838 1.00 0.00 C ATOM 418 C ARG A 63 3.611 -5.731 -87.104 1.00 0.00 C ATOM 419 O ARG A 63 3.205 -4.598 -87.363 1.00 0.00 O ATOM 420 CB ARG A 63 5.366 -5.845 -85.349 1.00 0.00 C ATOM 421 CG ARG A 63 6.789 -6.179 -84.928 1.00 0.00 C ATOM 422 CD ARG A 63 7.081 -7.627 -85.081 1.00 0.00 C ATOM 423 NE ARG A 63 8.426 -7.958 -84.638 1.00 0.00 N ATOM 424 CZ ARG A 63 9.525 -7.896 -85.416 1.00 0.00 C ATOM 425 NH1 ARG A 63 9.422 -7.517 -86.670 1.00 0.00 N ATOM 426 NH2 ARG A 63 10.706 -8.219 -84.918 1.00 0.00 N ATOM 0 H ARG A 63 5.741 -4.090 -87.439 1.00 0.00 H new ATOM 0 HA ARG A 63 5.331 -7.004 -87.155 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.145 -4.820 -85.050 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.679 -6.491 -84.802 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.491 -5.601 -85.528 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.940 -5.885 -83.889 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.357 -8.206 -84.508 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.962 -7.913 -86.126 1.00 0.00 H new ATOM 0 HE ARG A 63 8.546 -8.258 -83.671 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.510 -7.270 -87.055 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.254 -7.470 -87.259 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.786 -8.515 -83.945 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.538 -8.172 -85.507 1.00 0.00 H new ATOM 440 N ILE A 64 2.810 -6.789 -87.037 1.00 0.00 N ATOM 441 CA ILE A 64 1.379 -6.683 -87.295 1.00 0.00 C ATOM 442 C ILE A 64 0.604 -7.763 -86.552 1.00 0.00 C ATOM 443 O ILE A 64 0.946 -8.944 -86.619 1.00 0.00 O ATOM 444 CB ILE A 64 1.083 -6.784 -88.803 1.00 0.00 C ATOM 445 CG1 ILE A 64 -0.407 -6.556 -89.071 1.00 0.00 C ATOM 446 CG2 ILE A 64 1.524 -8.136 -89.342 1.00 0.00 C ATOM 447 CD1 ILE A 64 -0.733 -6.306 -90.526 1.00 0.00 C ATOM 0 H ILE A 64 3.128 -7.730 -86.806 1.00 0.00 H new ATOM 0 HA ILE A 64 1.056 -5.707 -86.933 1.00 0.00 H new ATOM 0 HB ILE A 64 1.648 -6.008 -89.320 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.966 -7.426 -88.727 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.747 -5.705 -88.481 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.308 -8.191 -90.409 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.595 -8.260 -89.182 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.986 -8.928 -88.822 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.807 -6.153 -90.637 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.203 -5.418 -90.870 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.425 -7.166 -91.121 1.00 0.00 H new ATOM 459 N SER A 65 -0.442 -7.352 -85.843 1.00 0.00 N ATOM 460 CA SER A 65 -1.248 -8.279 -85.058 1.00 0.00 C ATOM 461 C SER A 65 -2.621 -7.696 -84.754 1.00 0.00 C ATOM 462 O SER A 65 -2.763 -6.489 -84.553 1.00 0.00 O ATOM 463 CB SER A 65 -0.536 -8.623 -83.763 1.00 0.00 C ATOM 464 OG SER A 65 -1.299 -9.508 -82.991 1.00 0.00 O ATOM 0 H SER A 65 -0.752 -6.381 -85.796 1.00 0.00 H new ATOM 0 HA SER A 65 -1.386 -9.186 -85.647 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.433 -9.070 -83.984 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.345 -7.712 -83.196 1.00 0.00 H new ATOM 0 HG SER A 65 -0.819 -9.717 -82.162 1.00 0.00 H new ATOM 470 N GLN A 66 -3.632 -8.558 -84.722 1.00 0.00 N ATOM 471 CA GLN A 66 -4.992 -8.133 -84.414 1.00 0.00 C ATOM 472 C GLN A 66 -5.401 -8.566 -83.012 1.00 0.00 C ATOM 473 O GLN A 66 -5.076 -9.670 -82.574 1.00 0.00 O ATOM 474 CB GLN A 66 -5.976 -8.698 -85.443 1.00 0.00 C ATOM 475 CG GLN A 66 -7.414 -8.251 -85.240 1.00 0.00 C ATOM 476 CD GLN A 66 -8.334 -8.747 -86.338 1.00 0.00 C ATOM 477 OE1 GLN A 66 -8.081 -8.528 -87.526 1.00 0.00 O ATOM 478 NE2 GLN A 66 -9.410 -9.420 -85.948 1.00 0.00 N ATOM 0 H GLN A 66 -3.534 -9.557 -84.906 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.017 -7.044 -84.457 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.652 -8.400 -86.440 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.937 -9.787 -85.407 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.772 -8.615 -84.277 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.451 -7.162 -85.203 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -9.580 -9.578 -84.955 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.066 -9.779 -86.642 1.00 0.00 H new ATOM 487 N GLU A 67 -6.113 -7.690 -82.312 1.00 0.00 N ATOM 488 CA GLU A 67 -6.496 -7.946 -80.929 1.00 0.00 C ATOM 489 C GLU A 67 -7.950 -7.564 -80.680 1.00 0.00 C ATOM 490 O GLU A 67 -8.436 -6.558 -81.199 1.00 0.00 O ATOM 491 CB GLU A 67 -5.585 -7.174 -79.971 1.00 0.00 C ATOM 492 CG GLU A 67 -5.834 -7.462 -78.498 1.00 0.00 C ATOM 493 CD GLU A 67 -4.858 -6.763 -77.592 1.00 0.00 C ATOM 494 OE1 GLU A 67 -4.059 -6.002 -78.085 1.00 0.00 O ATOM 495 OE2 GLU A 67 -4.910 -6.991 -76.407 1.00 0.00 O ATOM 0 H GLU A 67 -6.437 -6.796 -82.680 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.385 -9.015 -80.746 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.547 -7.412 -80.205 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.715 -6.106 -80.147 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.847 -7.154 -78.239 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.774 -8.537 -78.328 1.00 0.00 H new ATOM 502 N LYS A 68 -8.641 -8.373 -79.884 1.00 0.00 N ATOM 503 CA LYS A 68 -10.037 -8.115 -79.556 1.00 0.00 C ATOM 504 C LYS A 68 -10.167 -7.417 -78.208 1.00 0.00 C ATOM 505 O LYS A 68 -9.729 -7.940 -77.183 1.00 0.00 O ATOM 506 CB LYS A 68 -10.837 -9.420 -79.551 1.00 0.00 C ATOM 507 CG LYS A 68 -12.344 -9.234 -79.439 1.00 0.00 C ATOM 508 CD LYS A 68 -13.059 -10.572 -79.323 1.00 0.00 C ATOM 509 CE LYS A 68 -12.812 -11.441 -80.547 1.00 0.00 C ATOM 510 NZ LYS A 68 -13.413 -10.855 -81.776 1.00 0.00 N ATOM 0 H LYS A 68 -8.256 -9.214 -79.454 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.442 -7.454 -80.323 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.618 -9.970 -80.467 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.497 -10.037 -78.720 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.573 -8.620 -78.568 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.712 -8.697 -80.313 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.716 -11.093 -78.429 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.129 -10.405 -79.203 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.739 -11.566 -80.692 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.229 -12.434 -80.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.403 -11.562 -82.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.394 -10.571 -81.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.863 -10.022 -82.068 1.00 0.00 H new ATOM 524 N GLN A 69 -10.771 -6.234 -78.216 1.00 0.00 N ATOM 525 CA GLN A 69 -10.930 -5.447 -76.999 1.00 0.00 C ATOM 526 C GLN A 69 -12.310 -4.804 -76.935 1.00 0.00 C ATOM 527 O GLN A 69 -12.720 -4.099 -77.858 1.00 0.00 O ATOM 528 CB GLN A 69 -9.847 -4.369 -76.911 1.00 0.00 C ATOM 529 CG GLN A 69 -9.950 -3.481 -75.683 1.00 0.00 C ATOM 530 CD GLN A 69 -9.607 -4.221 -74.404 1.00 0.00 C ATOM 531 OE1 GLN A 69 -8.533 -4.816 -74.284 1.00 0.00 O ATOM 532 NE2 GLN A 69 -10.519 -4.187 -73.439 1.00 0.00 N ATOM 0 H GLN A 69 -11.159 -5.799 -79.053 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.827 -6.124 -76.151 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.869 -4.851 -76.916 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.899 -3.744 -77.803 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.280 -2.629 -75.797 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.962 -3.083 -75.609 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.394 -3.682 -73.582 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.344 -4.665 -72.555 1.00 0.00 H new ATOM 541 N ASP A 70 -13.023 -5.051 -75.841 1.00 0.00 N ATOM 542 CA ASP A 70 -14.364 -4.506 -75.661 1.00 0.00 C ATOM 543 C ASP A 70 -15.311 -5.004 -76.746 1.00 0.00 C ATOM 544 O ASP A 70 -16.282 -4.331 -77.091 1.00 0.00 O ATOM 545 CB ASP A 70 -14.327 -2.976 -75.671 1.00 0.00 C ATOM 546 CG ASP A 70 -13.462 -2.397 -74.559 1.00 0.00 C ATOM 547 OD1 ASP A 70 -13.228 -3.087 -73.595 1.00 0.00 O ATOM 548 OD2 ASP A 70 -13.043 -1.272 -74.684 1.00 0.00 O ATOM 0 H ASP A 70 -12.694 -5.626 -75.065 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.734 -4.849 -74.695 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.949 -2.633 -76.634 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.342 -2.592 -75.572 1.00 0.00 H new ATOM 553 N GLY A 71 -15.021 -6.185 -77.280 1.00 0.00 N ATOM 554 CA GLY A 71 -15.886 -6.808 -78.275 1.00 0.00 C ATOM 555 C GLY A 71 -15.446 -6.449 -79.689 1.00 0.00 C ATOM 556 O GLY A 71 -15.855 -7.089 -80.658 1.00 0.00 O ATOM 0 H GLY A 71 -14.193 -6.731 -77.040 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -15.868 -7.891 -78.150 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.916 -6.486 -78.119 1.00 0.00 H new ATOM 560 N MET A 72 -14.612 -5.421 -79.800 1.00 0.00 N ATOM 561 CA MET A 72 -14.221 -4.889 -81.100 1.00 0.00 C ATOM 562 C MET A 72 -12.830 -5.369 -81.496 1.00 0.00 C ATOM 563 O MET A 72 -11.972 -5.587 -80.641 1.00 0.00 O ATOM 564 CB MET A 72 -14.272 -3.363 -81.083 1.00 0.00 C ATOM 565 CG MET A 72 -15.658 -2.782 -80.842 1.00 0.00 C ATOM 566 SD MET A 72 -15.649 -0.981 -80.734 1.00 0.00 S ATOM 567 CE MET A 72 -15.370 -0.540 -82.446 1.00 0.00 C ATOM 0 H MET A 72 -14.193 -4.939 -79.004 1.00 0.00 H new ATOM 0 HA MET A 72 -14.928 -5.258 -81.843 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.599 -2.998 -80.308 1.00 0.00 H new ATOM 0 HB3 MET A 72 -13.895 -2.989 -82.035 1.00 0.00 H new ATOM 0 HG2 MET A 72 -16.322 -3.090 -81.650 1.00 0.00 H new ATOM 0 HG3 MET A 72 -16.065 -3.195 -79.919 1.00 0.00 H new ATOM 0 HE1 MET A 72 -15.497 0.535 -82.570 1.00 0.00 H new ATOM 0 HE2 MET A 72 -14.357 -0.821 -82.734 1.00 0.00 H new ATOM 0 HE3 MET A 72 -16.086 -1.065 -83.078 1.00 0.00 H new ATOM 577 N ASP A 73 -12.615 -5.533 -82.796 1.00 0.00 N ATOM 578 CA ASP A 73 -11.330 -5.998 -83.307 1.00 0.00 C ATOM 579 C ASP A 73 -10.494 -4.839 -83.834 1.00 0.00 C ATOM 580 O ASP A 73 -10.960 -4.047 -84.654 1.00 0.00 O ATOM 581 CB ASP A 73 -11.538 -7.032 -84.417 1.00 0.00 C ATOM 582 CG ASP A 73 -12.125 -8.340 -83.906 1.00 0.00 C ATOM 583 OD1 ASP A 73 -12.069 -8.572 -82.721 1.00 0.00 O ATOM 584 OD2 ASP A 73 -12.626 -9.095 -84.705 1.00 0.00 O ATOM 0 H ASP A 73 -13.314 -5.351 -83.516 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.793 -6.462 -82.480 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.200 -6.615 -85.176 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.583 -7.233 -84.903 1.00 0.00 H new ATOM 589 N VAL A 74 -9.257 -4.744 -83.360 1.00 0.00 N ATOM 590 CA VAL A 74 -8.338 -3.708 -83.816 1.00 0.00 C ATOM 591 C VAL A 74 -7.053 -4.314 -84.364 1.00 0.00 C ATOM 592 O VAL A 74 -6.374 -5.079 -83.679 1.00 0.00 O ATOM 593 CB VAL A 74 -7.998 -2.749 -82.659 1.00 0.00 C ATOM 594 CG1 VAL A 74 -7.006 -1.691 -83.119 1.00 0.00 C ATOM 595 CG2 VAL A 74 -9.270 -2.103 -82.131 1.00 0.00 C ATOM 0 H VAL A 74 -8.867 -5.373 -82.659 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.831 -3.156 -84.616 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.535 -3.318 -81.852 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.777 -1.022 -82.290 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.090 -2.174 -83.459 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.439 -1.118 -83.938 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.022 -1.426 -81.313 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.753 -1.543 -82.932 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.948 -2.876 -81.769 1.00 0.00 H new ATOM 605 N LEU A 75 -6.723 -3.968 -85.604 1.00 0.00 N ATOM 606 CA LEU A 75 -5.465 -4.389 -86.208 1.00 0.00 C ATOM 607 C LEU A 75 -4.374 -3.349 -85.991 1.00 0.00 C ATOM 608 O LEU A 75 -4.563 -2.168 -86.279 1.00 0.00 O ATOM 609 CB LEU A 75 -5.655 -4.634 -87.710 1.00 0.00 C ATOM 610 CG LEU A 75 -4.406 -5.097 -88.472 1.00 0.00 C ATOM 611 CD1 LEU A 75 -3.996 -6.480 -87.983 1.00 0.00 C ATOM 612 CD2 LEU A 75 -4.698 -5.109 -89.965 1.00 0.00 C ATOM 0 H LEU A 75 -7.311 -3.396 -86.211 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.156 -5.316 -85.726 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.436 -5.382 -87.841 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.016 -3.713 -88.167 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.581 -4.409 -88.289 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.109 -6.809 -88.524 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.776 -6.438 -86.916 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.810 -7.184 -88.158 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.811 -5.438 -90.507 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.522 -5.793 -90.169 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.970 -4.105 -90.291 1.00 0.00 H new ATOM 624 N GLU A 76 -3.231 -3.795 -85.481 1.00 0.00 N ATOM 625 CA GLU A 76 -2.150 -2.889 -85.113 1.00 0.00 C ATOM 626 C GLU A 76 -0.893 -3.173 -85.926 1.00 0.00 C ATOM 627 O GLU A 76 -0.471 -4.321 -86.053 1.00 0.00 O ATOM 628 CB GLU A 76 -1.841 -3.006 -83.619 1.00 0.00 C ATOM 629 CG GLU A 76 -0.682 -2.139 -83.147 1.00 0.00 C ATOM 630 CD GLU A 76 -0.393 -2.297 -81.681 1.00 0.00 C ATOM 631 OE1 GLU A 76 -1.309 -2.563 -80.939 1.00 0.00 O ATOM 632 OE2 GLU A 76 0.745 -2.151 -81.301 1.00 0.00 O ATOM 0 H GLU A 76 -3.029 -4.781 -85.313 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.478 -1.873 -85.332 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.733 -2.738 -83.054 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.618 -4.047 -83.387 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.211 -2.393 -83.718 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.908 -1.094 -83.357 1.00 0.00 H new ATOM 639 N LEU A 77 -0.298 -2.118 -86.473 1.00 0.00 N ATOM 640 CA LEU A 77 0.963 -2.239 -87.195 1.00 0.00 C ATOM 641 C LEU A 77 2.039 -1.356 -86.577 1.00 0.00 C ATOM 642 O LEU A 77 1.762 -0.239 -86.140 1.00 0.00 O ATOM 643 CB LEU A 77 0.768 -1.862 -88.669 1.00 0.00 C ATOM 644 CG LEU A 77 -0.319 -2.644 -89.418 1.00 0.00 C ATOM 645 CD1 LEU A 77 -1.670 -1.981 -89.192 1.00 0.00 C ATOM 646 CD2 LEU A 77 0.023 -2.697 -90.899 1.00 0.00 C ATOM 0 H LEU A 77 -0.669 -1.169 -86.430 1.00 0.00 H new ATOM 0 HA LEU A 77 1.289 -3.277 -87.126 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.529 -0.800 -88.725 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.715 -2.003 -89.189 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.370 -3.665 -89.040 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.442 -2.537 -89.724 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.898 -1.974 -88.126 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.639 -0.957 -89.563 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.749 -3.253 -91.431 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.079 -1.683 -91.296 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.984 -3.193 -91.033 1.00 0.00 H new ATOM 658 N ASN A 78 3.266 -1.863 -86.542 1.00 0.00 N ATOM 659 CA ASN A 78 4.385 -1.123 -85.972 1.00 0.00 C ATOM 660 C ASN A 78 5.600 -1.166 -86.890 1.00 0.00 C ATOM 661 O ASN A 78 5.954 -2.221 -87.418 1.00 0.00 O ATOM 662 CB ASN A 78 4.736 -1.661 -84.597 1.00 0.00 C ATOM 663 CG ASN A 78 3.665 -1.387 -83.578 1.00 0.00 C ATOM 664 OD1 ASN A 78 3.415 -0.230 -83.219 1.00 0.00 O ATOM 665 ND2 ASN A 78 3.027 -2.427 -83.106 1.00 0.00 N ATOM 0 H ASN A 78 3.511 -2.785 -86.902 1.00 0.00 H new ATOM 0 HA ASN A 78 4.080 -0.082 -85.870 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.903 -2.736 -84.663 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.672 -1.213 -84.264 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.289 -2.301 -82.413 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.267 -3.363 -83.431 1.00 0.00 H new ATOM 672 N ILE A 79 6.235 -0.014 -87.078 1.00 0.00 N ATOM 673 CA ILE A 79 7.506 0.053 -87.791 1.00 0.00 C ATOM 674 C ILE A 79 8.616 0.576 -86.889 1.00 0.00 C ATOM 675 O ILE A 79 8.564 1.713 -86.420 1.00 0.00 O ATOM 676 CB ILE A 79 7.389 0.950 -89.036 1.00 0.00 C ATOM 677 CG1 ILE A 79 6.342 0.389 -90.003 1.00 0.00 C ATOM 678 CG2 ILE A 79 8.738 1.082 -89.725 1.00 0.00 C ATOM 679 CD1 ILE A 79 6.053 1.291 -91.181 1.00 0.00 C ATOM 0 H ILE A 79 5.890 0.887 -86.746 1.00 0.00 H new ATOM 0 HA ILE A 79 7.757 -0.960 -88.104 1.00 0.00 H new ATOM 0 HB ILE A 79 7.067 1.942 -88.719 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.684 -0.578 -90.373 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.415 0.212 -89.457 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.637 1.720 -90.603 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.457 1.525 -89.036 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.088 0.096 -90.031 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.302 0.826 -91.820 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.680 2.250 -90.822 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.968 1.448 -91.752 1.00 0.00 H new ATOM 691 N THR A 80 9.620 -0.260 -86.651 1.00 0.00 N ATOM 692 CA THR A 80 10.704 0.085 -85.737 1.00 0.00 C ATOM 693 C THR A 80 11.871 0.721 -86.480 1.00 0.00 C ATOM 694 O THR A 80 12.478 0.098 -87.351 1.00 0.00 O ATOM 695 CB THR A 80 11.194 -1.156 -84.967 1.00 0.00 C ATOM 696 OG1 THR A 80 10.117 -1.698 -84.193 1.00 0.00 O ATOM 697 CG2 THR A 80 12.343 -0.787 -84.041 1.00 0.00 C ATOM 0 H THR A 80 9.707 -1.182 -87.078 1.00 0.00 H new ATOM 0 HA THR A 80 10.308 0.809 -85.025 1.00 0.00 H new ATOM 0 HB THR A 80 11.542 -1.898 -85.686 1.00 0.00 H new ATOM 0 HG1 THR A 80 10.430 -2.488 -83.705 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.677 -1.675 -83.504 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.169 -0.385 -84.628 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.007 -0.036 -83.326 1.00 0.00 H new ATOM 705 N LEU A 81 12.180 1.965 -86.132 1.00 0.00 N ATOM 706 CA LEU A 81 13.322 2.661 -86.712 1.00 0.00 C ATOM 707 C LEU A 81 14.468 2.766 -85.715 1.00 0.00 C ATOM 708 O LEU A 81 14.251 2.772 -84.503 1.00 0.00 O ATOM 709 CB LEU A 81 12.909 4.065 -87.175 1.00 0.00 C ATOM 710 CG LEU A 81 11.754 4.119 -88.183 1.00 0.00 C ATOM 711 CD1 LEU A 81 11.415 5.572 -88.489 1.00 0.00 C ATOM 712 CD2 LEU A 81 12.149 3.372 -89.448 1.00 0.00 C ATOM 0 H LEU A 81 11.655 2.513 -85.450 1.00 0.00 H new ATOM 0 HA LEU A 81 13.665 2.083 -87.570 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.630 4.649 -86.298 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.778 4.552 -87.619 1.00 0.00 H new ATOM 0 HG LEU A 81 10.870 3.640 -87.763 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.594 5.611 -89.205 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.119 6.078 -87.570 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.289 6.068 -88.911 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.328 3.410 -90.164 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.033 3.837 -89.884 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.369 2.333 -89.203 1.00 0.00 H new ATOM 725 N ASP B 38 9.117 16.730 -93.298 1.00 0.00 N ATOM 726 CA ASP B 38 8.152 17.655 -93.880 1.00 0.00 C ATOM 727 C ASP B 38 7.159 16.924 -94.775 1.00 0.00 C ATOM 728 O ASP B 38 5.969 17.238 -94.784 1.00 0.00 O ATOM 729 CB ASP B 38 8.868 18.742 -94.684 1.00 0.00 C ATOM 730 CG ASP B 38 9.668 19.697 -93.808 1.00 0.00 C ATOM 731 OD1 ASP B 38 9.404 19.755 -92.631 1.00 0.00 O ATOM 732 OD2 ASP B 38 10.538 20.358 -94.325 1.00 0.00 O ATOM 0 HA ASP B 38 7.603 18.119 -93.060 1.00 0.00 H new ATOM 0 HB2 ASP B 38 9.537 18.272 -95.405 1.00 0.00 H new ATOM 0 HB3 ASP B 38 8.132 19.310 -95.254 1.00 0.00 H new ATOM 737 N TYR B 39 7.656 15.948 -95.527 1.00 0.00 N ATOM 738 CA TYR B 39 6.801 15.118 -96.367 1.00 0.00 C ATOM 739 C TYR B 39 6.505 13.780 -95.702 1.00 0.00 C ATOM 740 O TYR B 39 6.095 12.825 -96.361 1.00 0.00 O ATOM 741 CB TYR B 39 7.448 14.898 -97.737 1.00 0.00 C ATOM 742 CG TYR B 39 7.546 16.153 -98.574 1.00 0.00 C ATOM 743 CD1 TYR B 39 8.772 16.783 -98.739 1.00 0.00 C ATOM 744 CD2 TYR B 39 6.411 16.676 -99.177 1.00 0.00 C ATOM 745 CE1 TYR B 39 8.862 17.930 -99.504 1.00 0.00 C ATOM 746 CE2 TYR B 39 6.502 17.823 -99.942 1.00 0.00 C ATOM 747 CZ TYR B 39 7.721 18.449-100.106 1.00 0.00 C ATOM 748 OH TYR B 39 7.810 19.591-100.868 1.00 0.00 O ATOM 0 H TYR B 39 8.647 15.712 -95.572 1.00 0.00 H new ATOM 0 HA TYR B 39 5.856 15.643 -96.504 1.00 0.00 H new ATOM 0 HB2 TYR B 39 8.448 14.488 -97.595 1.00 0.00 H new ATOM 0 HB3 TYR B 39 6.873 14.151 -98.284 1.00 0.00 H new ATOM 0 HD1 TYR B 39 9.656 16.377 -98.269 1.00 0.00 H new ATOM 0 HD2 TYR B 39 5.457 16.187 -99.048 1.00 0.00 H new ATOM 0 HE1 TYR B 39 9.815 18.422 -99.634 1.00 0.00 H new ATOM 0 HE2 TYR B 39 5.619 18.230-100.412 1.00 0.00 H new ATOM 0 HH TYR B 39 6.924 19.820-101.218 1.00 0.00 H new ATOM 758 N LEU B 40 6.716 13.717 -94.391 1.00 0.00 N ATOM 759 CA LEU B 40 6.382 12.527 -93.618 1.00 0.00 C ATOM 760 C LEU B 40 4.874 12.362 -93.484 1.00 0.00 C ATOM 761 O LEU B 40 4.348 11.256 -93.603 1.00 0.00 O ATOM 762 CB LEU B 40 7.021 12.605 -92.225 1.00 0.00 C ATOM 763 CG LEU B 40 6.767 11.401 -91.309 1.00 0.00 C ATOM 764 CD1 LEU B 40 7.292 10.136 -91.975 1.00 0.00 C ATOM 765 CD2 LEU B 40 7.442 11.633 -89.966 1.00 0.00 C ATOM 0 H LEU B 40 7.117 14.477 -93.842 1.00 0.00 H new ATOM 0 HA LEU B 40 6.776 11.661 -94.150 1.00 0.00 H new ATOM 0 HB2 LEU B 40 8.098 12.726 -92.345 1.00 0.00 H new ATOM 0 HB3 LEU B 40 6.653 13.502 -91.726 1.00 0.00 H new ATOM 0 HG LEU B 40 5.697 11.281 -91.139 1.00 0.00 H new ATOM 0 HD11 LEU B 40 7.112 9.280 -91.324 1.00 0.00 H new ATOM 0 HD12 LEU B 40 6.778 9.985 -92.924 1.00 0.00 H new ATOM 0 HD13 LEU B 40 8.363 10.236 -92.154 1.00 0.00 H new ATOM 0 HD21 LEU B 40 7.261 10.777 -89.315 1.00 0.00 H new ATOM 0 HD22 LEU B 40 8.515 11.756 -90.114 1.00 0.00 H new ATOM 0 HD23 LEU B 40 7.034 12.532 -89.504 1.00 0.00 H new ATOM 777 N PRO B 41 4.183 13.469 -93.235 1.00 0.00 N ATOM 778 CA PRO B 41 2.727 13.460 -93.147 1.00 0.00 C ATOM 779 C PRO B 41 2.105 12.819 -94.381 1.00 0.00 C ATOM 780 O PRO B 41 1.079 12.145 -94.292 1.00 0.00 O ATOM 781 CB PRO B 41 2.379 14.948 -93.047 1.00 0.00 C ATOM 782 CG PRO B 41 3.567 15.559 -92.385 1.00 0.00 C ATOM 783 CD PRO B 41 4.743 14.839 -92.990 1.00 0.00 C ATOM 0 HA PRO B 41 2.348 12.878 -92.306 1.00 0.00 H new ATOM 0 HB2 PRO B 41 2.204 15.383 -94.031 1.00 0.00 H new ATOM 0 HB3 PRO B 41 1.472 15.106 -92.463 1.00 0.00 H new ATOM 0 HG2 PRO B 41 3.618 16.632 -92.572 1.00 0.00 H new ATOM 0 HG3 PRO B 41 3.532 15.425 -91.304 1.00 0.00 H new ATOM 0 HD2 PRO B 41 5.080 15.312 -93.912 1.00 0.00 H new ATOM 0 HD3 PRO B 41 5.598 14.815 -92.314 1.00 0.00 H new ATOM 791 N THR B 42 2.732 13.035 -95.533 1.00 0.00 N ATOM 792 CA THR B 42 2.208 12.529 -96.796 1.00 0.00 C ATOM 793 C THR B 42 2.450 11.031 -96.933 1.00 0.00 C ATOM 794 O THR B 42 1.640 10.312 -97.517 1.00 0.00 O ATOM 795 CB THR B 42 2.837 13.267 -97.993 1.00 0.00 C ATOM 796 OG1 THR B 42 4.250 13.028 -98.015 1.00 0.00 O ATOM 797 CG2 THR B 42 2.582 14.763 -97.891 1.00 0.00 C ATOM 0 H THR B 42 3.604 13.557 -95.618 1.00 0.00 H new ATOM 0 HA THR B 42 1.133 12.711 -96.795 1.00 0.00 H new ATOM 0 HB THR B 42 2.383 12.893 -98.911 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.580 12.935 -97.097 1.00 0.00 H new ATOM 0 HG21 THR B 42 3.033 15.268 -98.745 1.00 0.00 H new ATOM 0 HG22 THR B 42 1.508 14.949 -97.885 1.00 0.00 H new ATOM 0 HG23 THR B 42 3.021 15.145 -96.970 1.00 0.00 H new ATOM 805 N LEU B 43 3.571 10.568 -96.392 1.00 0.00 N ATOM 806 CA LEU B 43 3.823 9.137 -96.260 1.00 0.00 C ATOM 807 C LEU B 43 2.825 8.487 -95.311 1.00 0.00 C ATOM 808 O LEU B 43 2.345 7.382 -95.561 1.00 0.00 O ATOM 809 CB LEU B 43 5.251 8.895 -95.754 1.00 0.00 C ATOM 810 CG LEU B 43 6.373 9.220 -96.748 1.00 0.00 C ATOM 811 CD1 LEU B 43 7.720 9.112 -96.046 1.00 0.00 C ATOM 812 CD2 LEU B 43 6.295 8.269 -97.932 1.00 0.00 C ATOM 0 H LEU B 43 4.320 11.162 -96.037 1.00 0.00 H new ATOM 0 HA LEU B 43 3.706 8.685 -97.245 1.00 0.00 H new ATOM 0 HB2 LEU B 43 5.404 9.491 -94.854 1.00 0.00 H new ATOM 0 HB3 LEU B 43 5.341 7.849 -95.462 1.00 0.00 H new ATOM 0 HG LEU B 43 6.259 10.239 -97.119 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.518 9.343 -96.752 1.00 0.00 H new ATOM 0 HD12 LEU B 43 7.755 9.817 -95.216 1.00 0.00 H new ATOM 0 HD13 LEU B 43 7.853 8.099 -95.667 1.00 0.00 H new ATOM 0 HD21 LEU B 43 7.093 8.501 -98.638 1.00 0.00 H new ATOM 0 HD22 LEU B 43 6.407 7.243 -97.582 1.00 0.00 H new ATOM 0 HD23 LEU B 43 5.330 8.381 -98.426 1.00 0.00 H new ATOM 824 N ARG B 44 2.515 9.181 -94.221 1.00 0.00 N ATOM 825 CA ARG B 44 1.547 8.687 -93.248 1.00 0.00 C ATOM 826 C ARG B 44 0.154 8.593 -93.856 1.00 0.00 C ATOM 827 O ARG B 44 -0.582 7.639 -93.601 1.00 0.00 O ATOM 828 CB ARG B 44 1.504 9.596 -92.028 1.00 0.00 C ATOM 829 CG ARG B 44 2.739 9.537 -91.142 1.00 0.00 C ATOM 830 CD ARG B 44 2.760 10.646 -90.155 1.00 0.00 C ATOM 831 NE ARG B 44 1.731 10.489 -89.140 1.00 0.00 N ATOM 832 CZ ARG B 44 1.358 11.450 -88.273 1.00 0.00 C ATOM 833 NH1 ARG B 44 1.938 12.630 -88.311 1.00 0.00 N ATOM 834 NH2 ARG B 44 0.410 11.209 -87.385 1.00 0.00 N ATOM 0 H ARG B 44 2.920 10.088 -93.989 1.00 0.00 H new ATOM 0 HA ARG B 44 1.866 7.689 -92.946 1.00 0.00 H new ATOM 0 HB2 ARG B 44 1.364 10.624 -92.363 1.00 0.00 H new ATOM 0 HB3 ARG B 44 0.632 9.335 -91.429 1.00 0.00 H new ATOM 0 HG2 ARG B 44 2.765 8.582 -90.617 1.00 0.00 H new ATOM 0 HG3 ARG B 44 3.634 9.584 -91.762 1.00 0.00 H new ATOM 0 HD2 ARG B 44 3.738 10.687 -89.676 1.00 0.00 H new ATOM 0 HD3 ARG B 44 2.618 11.595 -90.672 1.00 0.00 H new ATOM 0 HE ARG B 44 1.258 9.587 -89.080 1.00 0.00 H new ATOM 0 HH11 ARG B 44 2.670 12.817 -88.997 1.00 0.00 H new ATOM 0 HH12 ARG B 44 1.656 13.358 -87.655 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -0.040 10.294 -87.355 1.00 0.00 H new ATOM 0 HH22 ARG B 44 0.129 11.938 -86.729 1.00 0.00 H new ATOM 848 N LYS B 45 -0.203 9.588 -94.661 1.00 0.00 N ATOM 849 CA LYS B 45 -1.465 9.567 -95.391 1.00 0.00 C ATOM 850 C LYS B 45 -1.487 8.447 -96.423 1.00 0.00 C ATOM 851 O LYS B 45 -2.502 7.773 -96.600 1.00 0.00 O ATOM 852 CB LYS B 45 -1.713 10.914 -96.072 1.00 0.00 C ATOM 853 CG LYS B 45 -2.062 12.047 -95.117 1.00 0.00 C ATOM 854 CD LYS B 45 -2.239 13.363 -95.861 1.00 0.00 C ATOM 855 CE LYS B 45 -2.570 14.499 -94.906 1.00 0.00 C ATOM 856 NZ LYS B 45 -2.732 15.796 -95.618 1.00 0.00 N ATOM 0 H LYS B 45 0.364 10.420 -94.824 1.00 0.00 H new ATOM 0 HA LYS B 45 -2.262 9.382 -94.671 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -0.822 11.192 -96.636 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -2.523 10.800 -96.792 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -2.979 11.804 -94.581 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -1.275 12.152 -94.371 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -1.326 13.599 -96.408 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -3.035 13.262 -96.599 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -3.488 14.264 -94.367 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -1.778 14.590 -94.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -2.957 16.544 -94.931 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -1.848 16.034 -96.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -3.505 15.718 -96.310 1.00 0.00 H new ATOM 870 N GLU B 46 -0.362 8.252 -97.101 1.00 0.00 N ATOM 871 CA GLU B 46 -0.229 7.175 -98.075 1.00 0.00 C ATOM 872 C GLU B 46 -0.401 5.812 -97.415 1.00 0.00 C ATOM 873 O GLU B 46 -0.986 4.900 -97.998 1.00 0.00 O ATOM 874 CB GLU B 46 1.118 7.257 -98.777 1.00 0.00 C ATOM 0 H GLU B 46 0.473 8.827 -96.994 1.00 0.00 H new ATOM 0 HA GLU B 46 -1.019 7.293 -98.817 1.00 0.00 H new ATOM 879 N LEU B 47 0.113 5.682 -96.197 1.00 0.00 N ATOM 880 CA LEU B 47 -0.053 4.457 -95.423 1.00 0.00 C ATOM 881 C LEU B 47 -1.518 4.218 -95.078 1.00 0.00 C ATOM 882 O LEU B 47 -2.021 3.101 -95.203 1.00 0.00 O ATOM 883 CB LEU B 47 0.777 4.528 -94.135 1.00 0.00 C ATOM 884 CG LEU B 47 2.297 4.431 -94.317 1.00 0.00 C ATOM 885 CD1 LEU B 47 2.990 4.807 -93.015 1.00 0.00 C ATOM 886 CD2 LEU B 47 2.668 3.018 -94.745 1.00 0.00 C ATOM 0 H LEU B 47 0.648 6.410 -95.724 1.00 0.00 H new ATOM 0 HA LEU B 47 0.297 3.625 -96.034 1.00 0.00 H new ATOM 0 HB2 LEU B 47 0.549 5.466 -93.629 1.00 0.00 H new ATOM 0 HB3 LEU B 47 0.457 3.723 -93.473 1.00 0.00 H new ATOM 0 HG LEU B 47 2.624 5.123 -95.093 1.00 0.00 H new ATOM 0 HD11 LEU B 47 4.070 4.738 -93.145 1.00 0.00 H new ATOM 0 HD12 LEU B 47 2.722 5.828 -92.742 1.00 0.00 H new ATOM 0 HD13 LEU B 47 2.675 4.125 -92.225 1.00 0.00 H new ATOM 0 HD21 LEU B 47 3.748 2.949 -94.874 1.00 0.00 H new ATOM 0 HD22 LEU B 47 2.348 2.310 -93.980 1.00 0.00 H new ATOM 0 HD23 LEU B 47 2.174 2.782 -95.687 1.00 0.00 H new ATOM 898 N MET B 48 -2.198 5.273 -94.644 1.00 0.00 N ATOM 899 CA MET B 48 -3.623 5.197 -94.345 1.00 0.00 C ATOM 900 C MET B 48 -4.420 4.760 -95.568 1.00 0.00 C ATOM 901 O MET B 48 -5.363 3.976 -95.460 1.00 0.00 O ATOM 902 CB MET B 48 -4.129 6.543 -93.832 1.00 0.00 C ATOM 903 CG MET B 48 -3.606 6.930 -92.456 1.00 0.00 C ATOM 904 SD MET B 48 -4.149 8.571 -91.941 1.00 0.00 S ATOM 905 CE MET B 48 -5.891 8.273 -91.647 1.00 0.00 C ATOM 0 H MET B 48 -1.784 6.193 -94.491 1.00 0.00 H new ATOM 0 HA MET B 48 -3.765 4.447 -93.567 1.00 0.00 H new ATOM 0 HB2 MET B 48 -3.848 7.318 -94.545 1.00 0.00 H new ATOM 0 HB3 MET B 48 -5.218 6.519 -93.799 1.00 0.00 H new ATOM 0 HG2 MET B 48 -3.941 6.195 -91.724 1.00 0.00 H new ATOM 0 HG3 MET B 48 -2.516 6.898 -92.464 1.00 0.00 H new ATOM 0 HE1 MET B 48 -6.485 8.885 -92.326 1.00 0.00 H new ATOM 0 HE2 MET B 48 -6.114 7.220 -91.819 1.00 0.00 H new ATOM 0 HE3 MET B 48 -6.136 8.532 -90.617 1.00 0.00 H new ATOM 915 N GLU B 49 -4.035 5.272 -96.732 1.00 0.00 N ATOM 916 CA GLU B 49 -4.692 4.913 -97.983 1.00 0.00 C ATOM 917 C GLU B 49 -4.669 3.405 -98.203 1.00 0.00 C ATOM 918 O GLU B 49 -5.714 2.778 -98.374 1.00 0.00 O ATOM 919 CB GLU B 49 -4.020 5.620 -99.161 1.00 0.00 C ATOM 920 CG GLU B 49 -4.629 5.297-100.519 1.00 0.00 C ATOM 921 CD GLU B 49 -3.939 6.003-101.652 1.00 0.00 C ATOM 922 OE1 GLU B 49 -3.112 6.843-101.389 1.00 0.00 O ATOM 923 OE2 GLU B 49 -4.239 5.701-102.784 1.00 0.00 O ATOM 0 H GLU B 49 -3.270 5.938 -96.835 1.00 0.00 H new ATOM 0 HA GLU B 49 -5.731 5.236 -97.918 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -4.072 6.697 -99.000 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -2.964 5.350 -99.177 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -4.582 4.221-100.686 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -5.683 5.573-100.514 1.00 0.00 H new ATOM 930 N VAL B 50 -3.473 2.830 -98.197 1.00 0.00 N ATOM 931 CA VAL B 50 -3.294 1.430 -98.564 1.00 0.00 C ATOM 932 C VAL B 50 -3.876 0.504 -97.503 1.00 0.00 C ATOM 933 O VAL B 50 -4.256 -0.629 -97.796 1.00 0.00 O ATOM 934 CB VAL B 50 -1.799 1.113 -98.752 1.00 0.00 C ATOM 935 CG1 VAL B 50 -1.233 1.896 -99.928 1.00 0.00 C ATOM 936 CG2 VAL B 50 -1.037 1.433 -97.475 1.00 0.00 C ATOM 0 H VAL B 50 -2.611 3.312 -97.942 1.00 0.00 H new ATOM 0 HA VAL B 50 -3.824 1.264 -99.502 1.00 0.00 H new ATOM 0 HB VAL B 50 -1.687 0.050 -98.968 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -0.175 1.660-100.047 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -1.770 1.625-100.837 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -1.348 2.964 -99.743 1.00 0.00 H new ATOM 0 HG21 VAL B 50 0.020 1.206 -97.615 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -1.153 2.490 -97.237 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -1.431 0.832 -96.656 1.00 0.00 H new ATOM 946 N LEU B 51 -3.944 0.994 -96.270 1.00 0.00 N ATOM 947 CA LEU B 51 -4.598 0.264 -95.190 1.00 0.00 C ATOM 948 C LEU B 51 -6.106 0.218 -95.391 1.00 0.00 C ATOM 949 O LEU B 51 -6.745 -0.804 -95.141 1.00 0.00 O ATOM 950 CB LEU B 51 -4.275 0.916 -93.839 1.00 0.00 C ATOM 951 CG LEU B 51 -3.155 0.248 -93.030 1.00 0.00 C ATOM 952 CD1 LEU B 51 -1.856 0.302 -93.821 1.00 0.00 C ATOM 953 CD2 LEU B 51 -3.010 0.952 -91.689 1.00 0.00 C ATOM 0 H LEU B 51 -3.554 1.895 -95.993 1.00 0.00 H new ATOM 0 HA LEU B 51 -4.219 -0.758 -95.199 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -4.001 1.956 -94.014 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -5.181 0.923 -93.233 1.00 0.00 H new ATOM 0 HG LEU B 51 -3.400 -0.798 -92.845 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -1.060 -0.172 -93.247 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.984 -0.224 -94.767 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -1.592 1.341 -94.017 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -2.215 0.478 -91.113 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -2.764 2.001 -91.854 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -3.948 0.882 -91.138 1.00 0.00 H new ATOM 965 N SER B 52 -6.672 1.331 -95.846 1.00 0.00 N ATOM 966 CA SER B 52 -8.104 1.412 -96.107 1.00 0.00 C ATOM 967 C SER B 52 -8.508 0.490 -97.251 1.00 0.00 C ATOM 968 O SER B 52 -9.631 -0.011 -97.290 1.00 0.00 O ATOM 969 CB SER B 52 -8.496 2.840 -96.434 1.00 0.00 C ATOM 970 OG SER B 52 -7.982 3.230 -97.678 1.00 0.00 O ATOM 0 H SER B 52 -6.159 2.191 -96.042 1.00 0.00 H new ATOM 0 HA SER B 52 -8.628 1.091 -95.207 1.00 0.00 H new ATOM 0 HB2 SER B 52 -9.582 2.930 -96.441 1.00 0.00 H new ATOM 0 HB3 SER B 52 -8.126 3.509 -95.658 1.00 0.00 H new ATOM 0 HG SER B 52 -7.136 2.763 -97.843 1.00 0.00 H new ATOM 976 N LYS B 53 -7.586 0.272 -98.182 1.00 0.00 N ATOM 977 CA LYS B 53 -7.887 -0.467 -99.401 1.00 0.00 C ATOM 978 C LYS B 53 -7.896 -1.969 -99.146 1.00 0.00 C ATOM 979 O LYS B 53 -8.692 -2.703 -99.732 1.00 0.00 O ATOM 980 CB LYS B 53 -6.879 -0.126-100.499 1.00 0.00 C ATOM 981 CG LYS B 53 -7.040 1.268-101.091 1.00 0.00 C ATOM 982 CD LYS B 53 -5.990 1.541-102.156 1.00 0.00 C ATOM 983 CE LYS B 53 -6.224 2.883-102.835 1.00 0.00 C ATOM 984 NZ LYS B 53 -5.157 3.201-103.822 1.00 0.00 N ATOM 0 H LYS B 53 -6.622 0.598 -98.115 1.00 0.00 H new ATOM 0 HA LYS B 53 -8.882 -0.171 -99.732 1.00 0.00 H new ATOM 0 HB2 LYS B 53 -5.872 -0.221-100.093 1.00 0.00 H new ATOM 0 HB3 LYS B 53 -6.970 -0.860-101.300 1.00 0.00 H new ATOM 0 HG2 LYS B 53 -8.035 1.369-101.524 1.00 0.00 H new ATOM 0 HG3 LYS B 53 -6.960 2.013-100.299 1.00 0.00 H new ATOM 0 HD2 LYS B 53 -4.999 1.528-101.703 1.00 0.00 H new ATOM 0 HD3 LYS B 53 -6.010 0.746-102.901 1.00 0.00 H new ATOM 0 HE2 LYS B 53 -7.191 2.871-103.338 1.00 0.00 H new ATOM 0 HE3 LYS B 53 -6.266 3.669-102.081 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 -4.706 4.102-103.567 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 -4.444 2.444-103.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 -5.574 3.279-104.771 1.00 0.00 H new ATOM 998 N TYR B 54 -7.006 -2.420 -98.269 1.00 0.00 N ATOM 999 CA TYR B 54 -6.844 -3.845 -98.005 1.00 0.00 C ATOM 1000 C TYR B 54 -7.917 -4.353 -97.049 1.00 0.00 C ATOM 1001 O TYR B 54 -8.445 -5.452 -97.220 1.00 0.00 O ATOM 1002 CB TYR B 54 -5.452 -4.130 -97.440 1.00 0.00 C ATOM 1003 CG TYR B 54 -4.358 -4.137 -98.485 1.00 0.00 C ATOM 1004 CD1 TYR B 54 -3.235 -3.341 -98.318 1.00 0.00 C ATOM 1005 CD2 TYR B 54 -4.478 -4.939 -99.610 1.00 0.00 C ATOM 1006 CE1 TYR B 54 -2.236 -3.346 -99.273 1.00 0.00 C ATOM 1007 CE2 TYR B 54 -3.480 -4.944-100.565 1.00 0.00 C ATOM 1008 CZ TYR B 54 -2.363 -4.152-100.399 1.00 0.00 C ATOM 1009 OH TYR B 54 -1.368 -4.158-101.350 1.00 0.00 O ATOM 0 H TYR B 54 -6.385 -1.818 -97.728 1.00 0.00 H new ATOM 0 HA TYR B 54 -6.955 -4.375 -98.951 1.00 0.00 H new ATOM 0 HB2 TYR B 54 -5.216 -3.380 -96.685 1.00 0.00 H new ATOM 0 HB3 TYR B 54 -5.466 -5.096 -96.935 1.00 0.00 H new ATOM 0 HD1 TYR B 54 -3.141 -2.717 -97.442 1.00 0.00 H new ATOM 0 HD2 TYR B 54 -5.352 -5.560 -99.739 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -1.361 -2.727 -99.145 1.00 0.00 H new ATOM 0 HE2 TYR B 54 -3.574 -5.568-101.441 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.610 -4.775-102.072 1.00 0.00 H new ATOM 1019 N VAL B 55 -8.234 -3.546 -96.042 1.00 0.00 N ATOM 1020 CA VAL B 55 -9.188 -3.944 -95.013 1.00 0.00 C ATOM 1021 C VAL B 55 -10.580 -3.404 -95.314 1.00 0.00 C ATOM 1022 O VAL B 55 -11.540 -3.708 -94.606 1.00 0.00 O ATOM 1023 CB VAL B 55 -8.729 -3.435 -93.634 1.00 0.00 C ATOM 1024 CG1 VAL B 55 -9.725 -3.841 -92.558 1.00 0.00 C ATOM 1025 CG2 VAL B 55 -7.343 -3.974 -93.317 1.00 0.00 C ATOM 0 H VAL B 55 -7.844 -2.612 -95.916 1.00 0.00 H new ATOM 0 HA VAL B 55 -9.231 -5.033 -95.004 1.00 0.00 H new ATOM 0 HB VAL B 55 -8.682 -2.346 -93.657 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -9.385 -3.473 -91.590 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -10.701 -3.414 -92.786 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -9.803 -4.928 -92.526 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -7.026 -3.609 -92.340 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -7.370 -5.064 -93.307 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -6.639 -3.636 -94.077 1.00 0.00 H new ATOM 1035 N ASN B 56 -10.683 -2.601 -96.368 1.00 0.00 N ATOM 1036 CA ASN B 56 -11.972 -2.098 -96.825 1.00 0.00 C ATOM 1037 C ASN B 56 -12.616 -1.200 -95.776 1.00 0.00 C ATOM 1038 O ASN B 56 -13.839 -1.177 -95.631 1.00 0.00 O ATOM 1039 CB ASN B 56 -12.897 -3.247 -97.184 1.00 0.00 C ATOM 1040 CG ASN B 56 -12.366 -4.084 -98.314 1.00 0.00 C ATOM 1041 OD1 ASN B 56 -11.911 -3.555 -99.335 1.00 0.00 O ATOM 1042 ND2 ASN B 56 -12.416 -5.382 -98.153 1.00 0.00 N ATOM 0 H ASN B 56 -9.887 -2.285 -96.922 1.00 0.00 H new ATOM 0 HA ASN B 56 -11.800 -1.499 -97.719 1.00 0.00 H new ATOM 0 HB2 ASN B 56 -13.044 -3.878 -96.307 1.00 0.00 H new ATOM 0 HB3 ASN B 56 -13.874 -2.850 -97.459 1.00 0.00 H new ATOM 0 HD21 ASN B 56 -12.071 -6.001 -98.887 1.00 0.00 H new ATOM 0 HD22 ASN B 56 -12.800 -5.775 -97.294 1.00 0.00 H new ATOM 1049 N VAL B 57 -11.787 -0.461 -95.048 1.00 0.00 N ATOM 1050 CA VAL B 57 -12.276 0.542 -94.110 1.00 0.00 C ATOM 1051 C VAL B 57 -12.082 1.950 -94.658 1.00 0.00 C ATOM 1052 O VAL B 57 -11.490 2.137 -95.721 1.00 0.00 O ATOM 1053 CB VAL B 57 -11.545 0.414 -92.760 1.00 0.00 C ATOM 1054 CG1 VAL B 57 -11.841 -0.934 -92.121 1.00 0.00 C ATOM 1055 CG2 VAL B 57 -10.050 0.598 -92.962 1.00 0.00 C ATOM 0 H VAL B 57 -10.771 -0.538 -95.090 1.00 0.00 H new ATOM 0 HA VAL B 57 -13.342 0.368 -93.966 1.00 0.00 H new ATOM 0 HB VAL B 57 -11.904 1.193 -92.087 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -11.317 -1.008 -91.168 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -12.914 -1.029 -91.953 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -11.505 -1.732 -92.783 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -9.539 0.506 -92.003 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -9.679 -0.165 -93.646 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -9.858 1.585 -93.382 1.00 0.00 H new ATOM 1065 N SER B 58 -12.583 2.939 -93.925 1.00 0.00 N ATOM 1066 CA SER B 58 -12.397 4.337 -94.295 1.00 0.00 C ATOM 1067 C SER B 58 -11.256 4.968 -93.506 1.00 0.00 C ATOM 1068 O SER B 58 -10.766 4.390 -92.536 1.00 0.00 O ATOM 1069 CB SER B 58 -13.677 5.114 -94.060 1.00 0.00 C ATOM 1070 OG SER B 58 -13.935 5.255 -92.690 1.00 0.00 O ATOM 0 H SER B 58 -13.122 2.798 -93.070 1.00 0.00 H new ATOM 0 HA SER B 58 -12.142 4.374 -95.354 1.00 0.00 H new ATOM 0 HB2 SER B 58 -13.599 6.098 -94.522 1.00 0.00 H new ATOM 0 HB3 SER B 58 -14.511 4.602 -94.540 1.00 0.00 H new ATOM 0 HG SER B 58 -14.765 5.761 -92.564 1.00 0.00 H new ATOM 1076 N LEU B 59 -10.838 6.157 -93.927 1.00 0.00 N ATOM 1077 CA LEU B 59 -9.745 6.861 -93.270 1.00 0.00 C ATOM 1078 C LEU B 59 -10.109 7.231 -91.838 1.00 0.00 C ATOM 1079 O LEU B 59 -9.236 7.357 -90.979 1.00 0.00 O ATOM 1080 CB LEU B 59 -9.384 8.129 -94.055 1.00 0.00 C ATOM 1081 CG LEU B 59 -8.790 7.901 -95.451 1.00 0.00 C ATOM 1082 CD1 LEU B 59 -8.596 9.241 -96.146 1.00 0.00 C ATOM 1083 CD2 LEU B 59 -7.470 7.154 -95.325 1.00 0.00 C ATOM 0 H LEU B 59 -11.241 6.653 -94.722 1.00 0.00 H new ATOM 0 HA LEU B 59 -8.885 6.192 -93.244 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -10.282 8.739 -94.157 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -8.671 8.707 -93.467 1.00 0.00 H new ATOM 0 HG LEU B 59 -9.471 7.298 -96.052 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -8.174 9.079 -97.138 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -9.558 9.745 -96.239 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -7.917 9.860 -95.560 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -7.048 6.992 -96.317 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -6.775 7.742 -94.726 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -7.641 6.192 -94.842 1.00 0.00 H new ATOM 1095 N ASP B 60 -11.402 7.400 -91.586 1.00 0.00 N ATOM 1096 CA ASP B 60 -11.884 7.759 -90.258 1.00 0.00 C ATOM 1097 C ASP B 60 -11.717 6.602 -89.281 1.00 0.00 C ATOM 1098 O ASP B 60 -11.762 6.793 -88.065 1.00 0.00 O ATOM 1099 CB ASP B 60 -13.355 8.178 -90.315 1.00 0.00 C ATOM 1100 CG ASP B 60 -13.562 9.517 -91.012 1.00 0.00 C ATOM 1101 OD1 ASP B 60 -12.603 10.228 -91.186 1.00 0.00 O ATOM 1102 OD2 ASP B 60 -14.679 9.813 -91.363 1.00 0.00 O ATOM 0 H ASP B 60 -12.137 7.294 -92.286 1.00 0.00 H new ATOM 0 HA ASP B 60 -11.286 8.599 -89.906 1.00 0.00 H new ATOM 0 HB2 ASP B 60 -13.927 7.410 -90.836 1.00 0.00 H new ATOM 0 HB3 ASP B 60 -13.751 8.237 -89.301 1.00 0.00 H new ATOM 1107 N ASN B 61 -11.524 5.402 -89.819 1.00 0.00 N ATOM 1108 CA ASN B 61 -11.360 4.211 -88.995 1.00 0.00 C ATOM 1109 C ASN B 61 -9.890 3.837 -88.855 1.00 0.00 C ATOM 1110 O ASN B 61 -9.558 2.769 -88.341 1.00 0.00 O ATOM 1111 CB ASN B 61 -12.154 3.051 -89.568 1.00 0.00 C ATOM 1112 CG ASN B 61 -13.637 3.227 -89.397 1.00 0.00 C ATOM 1113 OD1 ASN B 61 -14.190 2.941 -88.328 1.00 0.00 O ATOM 1114 ND2 ASN B 61 -14.294 3.693 -90.429 1.00 0.00 N ATOM 0 H ASN B 61 -11.477 5.229 -90.823 1.00 0.00 H new ATOM 0 HA ASN B 61 -11.745 4.436 -88.000 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -11.924 2.946 -90.628 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -11.843 2.127 -89.081 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -15.303 3.833 -90.370 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -13.797 3.916 -91.292 1.00 0.00 H new ATOM 1121 N ILE B 62 -9.013 4.721 -89.316 1.00 0.00 N ATOM 1122 CA ILE B 62 -7.578 4.470 -89.276 1.00 0.00 C ATOM 1123 C ILE B 62 -6.856 5.525 -88.447 1.00 0.00 C ATOM 1124 O ILE B 62 -7.134 6.719 -88.566 1.00 0.00 O ATOM 1125 CB ILE B 62 -6.985 4.440 -90.696 1.00 0.00 C ATOM 1126 CG1 ILE B 62 -7.646 3.336 -91.527 1.00 0.00 C ATOM 1127 CG2 ILE B 62 -5.479 4.237 -90.640 1.00 0.00 C ATOM 1128 CD1 ILE B 62 -7.289 3.381 -92.995 1.00 0.00 C ATOM 0 H ILE B 62 -9.272 5.620 -89.723 1.00 0.00 H new ATOM 0 HA ILE B 62 -7.433 3.496 -88.808 1.00 0.00 H new ATOM 0 HB ILE B 62 -7.184 5.399 -91.175 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -7.356 2.366 -91.122 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -8.728 3.415 -91.423 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -5.076 4.218 -91.653 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -5.022 5.055 -90.083 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -5.257 3.292 -90.144 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -7.795 2.569 -93.517 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -7.604 4.336 -93.417 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -6.211 3.271 -93.111 1.00 0.00 H new ATOM 1140 N ARG B 63 -5.929 5.078 -87.606 1.00 0.00 N ATOM 1141 CA ARG B 63 -5.089 5.989 -86.838 1.00 0.00 C ATOM 1142 C ARG B 63 -3.611 5.731 -87.104 1.00 0.00 C ATOM 1143 O ARG B 63 -3.205 4.598 -87.363 1.00 0.00 O ATOM 1144 CB ARG B 63 -5.366 5.845 -85.349 1.00 0.00 C ATOM 1145 CG ARG B 63 -6.789 6.179 -84.928 1.00 0.00 C ATOM 1146 CD ARG B 63 -7.081 7.627 -85.081 1.00 0.00 C ATOM 1147 NE ARG B 63 -8.426 7.958 -84.638 1.00 0.00 N ATOM 1148 CZ ARG B 63 -9.525 7.896 -85.416 1.00 0.00 C ATOM 1149 NH1 ARG B 63 -9.422 7.517 -86.670 1.00 0.00 N ATOM 1150 NH2 ARG B 63 -10.706 8.219 -84.918 1.00 0.00 N ATOM 0 H ARG B 63 -5.741 4.090 -87.439 1.00 0.00 H new ATOM 0 HA ARG B 63 -5.331 7.004 -87.155 1.00 0.00 H new ATOM 0 HB2 ARG B 63 -5.145 4.820 -85.050 1.00 0.00 H new ATOM 0 HB3 ARG B 63 -4.679 6.491 -84.802 1.00 0.00 H new ATOM 0 HG2 ARG B 63 -7.491 5.601 -85.528 1.00 0.00 H new ATOM 0 HG3 ARG B 63 -6.940 5.885 -83.889 1.00 0.00 H new ATOM 0 HD2 ARG B 63 -6.357 8.206 -84.508 1.00 0.00 H new ATOM 0 HD3 ARG B 63 -6.962 7.913 -86.126 1.00 0.00 H new ATOM 0 HE ARG B 63 -8.546 8.258 -83.671 1.00 0.00 H new ATOM 0 HH11 ARG B 63 -8.510 7.270 -87.055 1.00 0.00 H new ATOM 0 HH12 ARG B 63 -10.254 7.470 -87.259 1.00 0.00 H new ATOM 0 HH21 ARG B 63 -10.786 8.515 -83.945 1.00 0.00 H new ATOM 0 HH22 ARG B 63 -11.538 8.172 -85.507 1.00 0.00 H new ATOM 1164 N ILE B 64 -2.810 6.789 -87.037 1.00 0.00 N ATOM 1165 CA ILE B 64 -1.379 6.683 -87.295 1.00 0.00 C ATOM 1166 C ILE B 64 -0.604 7.763 -86.552 1.00 0.00 C ATOM 1167 O ILE B 64 -0.946 8.944 -86.619 1.00 0.00 O ATOM 1168 CB ILE B 64 -1.083 6.784 -88.803 1.00 0.00 C ATOM 1169 CG1 ILE B 64 0.407 6.556 -89.071 1.00 0.00 C ATOM 1170 CG2 ILE B 64 -1.524 8.136 -89.342 1.00 0.00 C ATOM 1171 CD1 ILE B 64 0.733 6.306 -90.526 1.00 0.00 C ATOM 0 H ILE B 64 -3.128 7.730 -86.806 1.00 0.00 H new ATOM 0 HA ILE B 64 -1.056 5.707 -86.933 1.00 0.00 H new ATOM 0 HB ILE B 64 -1.648 6.008 -89.320 1.00 0.00 H new ATOM 0 HG12 ILE B 64 0.966 7.426 -88.727 1.00 0.00 H new ATOM 0 HG13 ILE B 64 0.747 5.705 -88.481 1.00 0.00 H new ATOM 0 HG21 ILE B 64 -1.308 8.191 -90.409 1.00 0.00 H new ATOM 0 HG22 ILE B 64 -2.595 8.260 -89.182 1.00 0.00 H new ATOM 0 HG23 ILE B 64 -0.986 8.928 -88.822 1.00 0.00 H new ATOM 0 HD11 ILE B 64 1.807 6.153 -90.637 1.00 0.00 H new ATOM 0 HD12 ILE B 64 0.203 5.418 -90.870 1.00 0.00 H new ATOM 0 HD13 ILE B 64 0.425 7.166 -91.121 1.00 0.00 H new ATOM 1183 N SER B 65 0.442 7.352 -85.843 1.00 0.00 N ATOM 1184 CA SER B 65 1.248 8.279 -85.058 1.00 0.00 C ATOM 1185 C SER B 65 2.621 7.696 -84.754 1.00 0.00 C ATOM 1186 O SER B 65 2.763 6.489 -84.553 1.00 0.00 O ATOM 1187 CB SER B 65 0.536 8.623 -83.763 1.00 0.00 C ATOM 1188 OG SER B 65 1.299 9.508 -82.991 1.00 0.00 O ATOM 0 H SER B 65 0.752 6.381 -85.796 1.00 0.00 H new ATOM 0 HA SER B 65 1.386 9.186 -85.647 1.00 0.00 H new ATOM 0 HB2 SER B 65 -0.433 9.070 -83.984 1.00 0.00 H new ATOM 0 HB3 SER B 65 0.345 7.712 -83.196 1.00 0.00 H new ATOM 0 HG SER B 65 0.819 9.717 -82.162 1.00 0.00 H new ATOM 1194 N GLN B 66 3.632 8.558 -84.722 1.00 0.00 N ATOM 1195 CA GLN B 66 4.992 8.133 -84.414 1.00 0.00 C ATOM 1196 C GLN B 66 5.401 8.566 -83.012 1.00 0.00 C ATOM 1197 O GLN B 66 5.076 9.670 -82.574 1.00 0.00 O ATOM 1198 CB GLN B 66 5.976 8.698 -85.443 1.00 0.00 C ATOM 1199 CG GLN B 66 7.414 8.251 -85.240 1.00 0.00 C ATOM 1200 CD GLN B 66 8.334 8.747 -86.338 1.00 0.00 C ATOM 1201 OE1 GLN B 66 8.081 8.528 -87.526 1.00 0.00 O ATOM 1202 NE2 GLN B 66 9.410 9.420 -85.948 1.00 0.00 N ATOM 0 H GLN B 66 3.534 9.557 -84.906 1.00 0.00 H new ATOM 0 HA GLN B 66 5.017 7.044 -84.457 1.00 0.00 H new ATOM 0 HB2 GLN B 66 5.652 8.400 -86.440 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.937 9.787 -85.407 1.00 0.00 H new ATOM 0 HG2 GLN B 66 7.772 8.615 -84.277 1.00 0.00 H new ATOM 0 HG3 GLN B 66 7.451 7.162 -85.203 1.00 0.00 H new ATOM 0 HE21 GLN B 66 9.580 9.578 -84.955 1.00 0.00 H new ATOM 0 HE22 GLN B 66 10.066 9.779 -86.642 1.00 0.00 H new ATOM 1211 N GLU B 67 6.113 7.690 -82.312 1.00 0.00 N ATOM 1212 CA GLU B 67 6.496 7.946 -80.929 1.00 0.00 C ATOM 1213 C GLU B 67 7.950 7.564 -80.680 1.00 0.00 C ATOM 1214 O GLU B 67 8.436 6.558 -81.199 1.00 0.00 O ATOM 1215 CB GLU B 67 5.585 7.174 -79.971 1.00 0.00 C ATOM 1216 CG GLU B 67 5.834 7.462 -78.498 1.00 0.00 C ATOM 1217 CD GLU B 67 4.858 6.763 -77.592 1.00 0.00 C ATOM 1218 OE1 GLU B 67 4.059 6.002 -78.085 1.00 0.00 O ATOM 1219 OE2 GLU B 67 4.910 6.991 -76.407 1.00 0.00 O ATOM 0 H GLU B 67 6.437 6.796 -82.680 1.00 0.00 H new ATOM 0 HA GLU B 67 6.385 9.015 -80.746 1.00 0.00 H new ATOM 0 HB2 GLU B 67 4.547 7.412 -80.205 1.00 0.00 H new ATOM 0 HB3 GLU B 67 5.715 6.106 -80.147 1.00 0.00 H new ATOM 0 HG2 GLU B 67 6.847 7.154 -78.239 1.00 0.00 H new ATOM 0 HG3 GLU B 67 5.774 8.537 -78.328 1.00 0.00 H new ATOM 1226 N LYS B 68 8.641 8.373 -79.884 1.00 0.00 N ATOM 1227 CA LYS B 68 10.037 8.115 -79.556 1.00 0.00 C ATOM 1228 C LYS B 68 10.167 7.417 -78.208 1.00 0.00 C ATOM 1229 O LYS B 68 9.729 7.940 -77.183 1.00 0.00 O ATOM 1230 CB LYS B 68 10.837 9.420 -79.551 1.00 0.00 C ATOM 1231 CG LYS B 68 12.344 9.234 -79.439 1.00 0.00 C ATOM 1232 CD LYS B 68 13.059 10.572 -79.323 1.00 0.00 C ATOM 1233 CE LYS B 68 12.812 11.441 -80.547 1.00 0.00 C ATOM 1234 NZ LYS B 68 13.413 10.855 -81.776 1.00 0.00 N ATOM 0 H LYS B 68 8.256 9.214 -79.454 1.00 0.00 H new ATOM 0 HA LYS B 68 10.442 7.454 -80.323 1.00 0.00 H new ATOM 0 HB2 LYS B 68 10.618 9.970 -80.467 1.00 0.00 H new ATOM 0 HB3 LYS B 68 10.497 10.037 -78.720 1.00 0.00 H new ATOM 0 HG2 LYS B 68 12.573 8.620 -78.568 1.00 0.00 H new ATOM 0 HG3 LYS B 68 12.712 8.697 -80.313 1.00 0.00 H new ATOM 0 HD2 LYS B 68 12.716 11.093 -78.429 1.00 0.00 H new ATOM 0 HD3 LYS B 68 14.129 10.405 -79.203 1.00 0.00 H new ATOM 0 HE2 LYS B 68 11.739 11.566 -80.692 1.00 0.00 H new ATOM 0 HE3 LYS B 68 13.229 12.434 -80.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 13.296 11.517 -82.569 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 14.426 10.680 -81.618 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 12.938 9.958 -82.001 1.00 0.00 H new ATOM 1248 N GLN B 69 10.771 6.234 -78.216 1.00 0.00 N ATOM 1249 CA GLN B 69 10.930 5.447 -76.999 1.00 0.00 C ATOM 1250 C GLN B 69 12.310 4.804 -76.935 1.00 0.00 C ATOM 1251 O GLN B 69 12.720 4.099 -77.858 1.00 0.00 O ATOM 1252 CB GLN B 69 9.847 4.369 -76.911 1.00 0.00 C ATOM 1253 CG GLN B 69 9.950 3.481 -75.683 1.00 0.00 C ATOM 1254 CD GLN B 69 9.607 4.221 -74.404 1.00 0.00 C ATOM 1255 OE1 GLN B 69 8.533 4.816 -74.284 1.00 0.00 O ATOM 1256 NE2 GLN B 69 10.519 4.187 -73.439 1.00 0.00 N ATOM 0 H GLN B 69 11.159 5.799 -79.053 1.00 0.00 H new ATOM 0 HA GLN B 69 10.827 6.124 -76.151 1.00 0.00 H new ATOM 0 HB2 GLN B 69 8.869 4.851 -76.916 1.00 0.00 H new ATOM 0 HB3 GLN B 69 9.899 3.744 -77.803 1.00 0.00 H new ATOM 0 HG2 GLN B 69 9.280 2.629 -75.797 1.00 0.00 H new ATOM 0 HG3 GLN B 69 10.962 3.083 -75.609 1.00 0.00 H new ATOM 0 HE21 GLN B 69 11.394 3.682 -73.582 1.00 0.00 H new ATOM 0 HE22 GLN B 69 10.344 4.665 -72.555 1.00 0.00 H new ATOM 1265 N ASP B 70 13.023 5.051 -75.841 1.00 0.00 N ATOM 1266 CA ASP B 70 14.364 4.506 -75.661 1.00 0.00 C ATOM 1267 C ASP B 70 15.311 5.004 -76.746 1.00 0.00 C ATOM 1268 O ASP B 70 16.282 4.331 -77.091 1.00 0.00 O ATOM 1269 CB ASP B 70 14.327 2.976 -75.671 1.00 0.00 C ATOM 1270 CG ASP B 70 13.462 2.397 -74.559 1.00 0.00 C ATOM 1271 OD1 ASP B 70 13.228 3.087 -73.595 1.00 0.00 O ATOM 1272 OD2 ASP B 70 13.043 1.272 -74.684 1.00 0.00 O ATOM 0 H ASP B 70 12.694 5.626 -75.065 1.00 0.00 H new ATOM 0 HA ASP B 70 14.734 4.849 -74.695 1.00 0.00 H new ATOM 0 HB2 ASP B 70 13.949 2.633 -76.634 1.00 0.00 H new ATOM 0 HB3 ASP B 70 15.342 2.592 -75.572 1.00 0.00 H new ATOM 1277 N GLY B 71 15.021 6.185 -77.280 1.00 0.00 N ATOM 1278 CA GLY B 71 15.886 6.808 -78.275 1.00 0.00 C ATOM 1279 C GLY B 71 15.446 6.449 -79.689 1.00 0.00 C ATOM 1280 O GLY B 71 15.855 7.089 -80.658 1.00 0.00 O ATOM 0 H GLY B 71 14.193 6.731 -77.040 1.00 0.00 H new ATOM 0 HA2 GLY B 71 15.868 7.891 -78.150 1.00 0.00 H new ATOM 0 HA3 GLY B 71 16.916 6.486 -78.119 1.00 0.00 H new ATOM 1284 N MET B 72 14.612 5.421 -79.800 1.00 0.00 N ATOM 1285 CA MET B 72 14.221 4.889 -81.100 1.00 0.00 C ATOM 1286 C MET B 72 12.830 5.369 -81.496 1.00 0.00 C ATOM 1287 O MET B 72 11.972 5.587 -80.641 1.00 0.00 O ATOM 1288 CB MET B 72 14.272 3.363 -81.083 1.00 0.00 C ATOM 1289 CG MET B 72 15.658 2.782 -80.842 1.00 0.00 C ATOM 1290 SD MET B 72 15.649 0.981 -80.734 1.00 0.00 S ATOM 1291 CE MET B 72 15.370 0.540 -82.446 1.00 0.00 C ATOM 0 H MET B 72 14.193 4.939 -79.004 1.00 0.00 H new ATOM 0 HA MET B 72 14.928 5.258 -81.843 1.00 0.00 H new ATOM 0 HB2 MET B 72 13.599 2.998 -80.308 1.00 0.00 H new ATOM 0 HB3 MET B 72 13.895 2.989 -82.035 1.00 0.00 H new ATOM 0 HG2 MET B 72 16.322 3.090 -81.650 1.00 0.00 H new ATOM 0 HG3 MET B 72 16.065 3.195 -79.919 1.00 0.00 H new ATOM 0 HE1 MET B 72 15.532 -0.530 -82.577 1.00 0.00 H new ATOM 0 HE2 MET B 72 14.346 0.789 -82.723 1.00 0.00 H new ATOM 0 HE3 MET B 72 16.062 1.092 -83.081 1.00 0.00 H new ATOM 1301 N ASP B 73 12.615 5.533 -82.796 1.00 0.00 N ATOM 1302 CA ASP B 73 11.330 5.998 -83.307 1.00 0.00 C ATOM 1303 C ASP B 73 10.494 4.839 -83.834 1.00 0.00 C ATOM 1304 O ASP B 73 10.960 4.047 -84.654 1.00 0.00 O ATOM 1305 CB ASP B 73 11.538 7.032 -84.417 1.00 0.00 C ATOM 1306 CG ASP B 73 12.125 8.340 -83.906 1.00 0.00 C ATOM 1307 OD1 ASP B 73 12.069 8.572 -82.721 1.00 0.00 O ATOM 1308 OD2 ASP B 73 12.626 9.095 -84.705 1.00 0.00 O ATOM 0 H ASP B 73 13.314 5.351 -83.516 1.00 0.00 H new ATOM 0 HA ASP B 73 10.793 6.462 -82.480 1.00 0.00 H new ATOM 0 HB2 ASP B 73 12.200 6.615 -85.176 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.583 7.233 -84.903 1.00 0.00 H new ATOM 1313 N VAL B 74 9.257 4.744 -83.360 1.00 0.00 N ATOM 1314 CA VAL B 74 8.338 3.708 -83.816 1.00 0.00 C ATOM 1315 C VAL B 74 7.053 4.314 -84.364 1.00 0.00 C ATOM 1316 O VAL B 74 6.374 5.079 -83.679 1.00 0.00 O ATOM 1317 CB VAL B 74 7.998 2.749 -82.659 1.00 0.00 C ATOM 1318 CG1 VAL B 74 7.006 1.691 -83.119 1.00 0.00 C ATOM 1319 CG2 VAL B 74 9.270 2.103 -82.131 1.00 0.00 C ATOM 0 H VAL B 74 8.867 5.373 -82.659 1.00 0.00 H new ATOM 0 HA VAL B 74 8.831 3.156 -84.616 1.00 0.00 H new ATOM 0 HB VAL B 74 7.535 3.318 -81.852 1.00 0.00 H new ATOM 0 HG11 VAL B 74 6.777 1.022 -82.290 1.00 0.00 H new ATOM 0 HG12 VAL B 74 6.090 2.174 -83.459 1.00 0.00 H new ATOM 0 HG13 VAL B 74 7.439 1.118 -83.938 1.00 0.00 H new ATOM 0 HG21 VAL B 74 9.022 1.426 -81.313 1.00 0.00 H new ATOM 0 HG22 VAL B 74 9.753 1.543 -82.932 1.00 0.00 H new ATOM 0 HG23 VAL B 74 9.948 2.876 -81.769 1.00 0.00 H new ATOM 1329 N LEU B 75 6.723 3.968 -85.604 1.00 0.00 N ATOM 1330 CA LEU B 75 5.465 4.389 -86.208 1.00 0.00 C ATOM 1331 C LEU B 75 4.374 3.349 -85.991 1.00 0.00 C ATOM 1332 O LEU B 75 4.563 2.168 -86.279 1.00 0.00 O ATOM 1333 CB LEU B 75 5.655 4.634 -87.710 1.00 0.00 C ATOM 1334 CG LEU B 75 4.406 5.097 -88.472 1.00 0.00 C ATOM 1335 CD1 LEU B 75 3.996 6.480 -87.983 1.00 0.00 C ATOM 1336 CD2 LEU B 75 4.698 5.109 -89.965 1.00 0.00 C ATOM 0 H LEU B 75 7.311 3.396 -86.211 1.00 0.00 H new ATOM 0 HA LEU B 75 5.156 5.316 -85.726 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.436 5.382 -87.841 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.016 3.713 -88.167 1.00 0.00 H new ATOM 0 HG LEU B 75 3.581 4.409 -88.289 1.00 0.00 H new ATOM 0 HD11 LEU B 75 3.109 6.809 -88.524 1.00 0.00 H new ATOM 0 HD12 LEU B 75 3.776 6.438 -86.916 1.00 0.00 H new ATOM 0 HD13 LEU B 75 4.810 7.184 -88.158 1.00 0.00 H new ATOM 0 HD21 LEU B 75 3.811 5.438 -90.507 1.00 0.00 H new ATOM 0 HD22 LEU B 75 5.522 5.793 -90.169 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.970 4.105 -90.291 1.00 0.00 H new ATOM 1348 N GLU B 76 3.231 3.795 -85.481 1.00 0.00 N ATOM 1349 CA GLU B 76 2.150 2.889 -85.113 1.00 0.00 C ATOM 1350 C GLU B 76 0.893 3.173 -85.926 1.00 0.00 C ATOM 1351 O GLU B 76 0.471 4.321 -86.053 1.00 0.00 O ATOM 1352 CB GLU B 76 1.841 3.006 -83.619 1.00 0.00 C ATOM 1353 CG GLU B 76 0.682 2.139 -83.147 1.00 0.00 C ATOM 1354 CD GLU B 76 0.393 2.297 -81.681 1.00 0.00 C ATOM 1355 OE1 GLU B 76 1.309 2.563 -80.939 1.00 0.00 O ATOM 1356 OE2 GLU B 76 -0.745 2.151 -81.301 1.00 0.00 O ATOM 0 H GLU B 76 3.029 4.781 -85.313 1.00 0.00 H new ATOM 0 HA GLU B 76 2.478 1.873 -85.332 1.00 0.00 H new ATOM 0 HB2 GLU B 76 2.733 2.738 -83.054 1.00 0.00 H new ATOM 0 HB3 GLU B 76 1.618 4.047 -83.387 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -0.211 2.393 -83.718 1.00 0.00 H new ATOM 0 HG3 GLU B 76 0.908 1.094 -83.357 1.00 0.00 H new ATOM 1363 N LEU B 77 0.298 2.118 -86.473 1.00 0.00 N ATOM 1364 CA LEU B 77 -0.963 2.239 -87.195 1.00 0.00 C ATOM 1365 C LEU B 77 -2.039 1.356 -86.577 1.00 0.00 C ATOM 1366 O LEU B 77 -1.762 0.239 -86.140 1.00 0.00 O ATOM 1367 CB LEU B 77 -0.768 1.862 -88.669 1.00 0.00 C ATOM 1368 CG LEU B 77 0.319 2.644 -89.418 1.00 0.00 C ATOM 1369 CD1 LEU B 77 1.670 1.981 -89.192 1.00 0.00 C ATOM 1370 CD2 LEU B 77 -0.023 2.697 -90.899 1.00 0.00 C ATOM 0 H LEU B 77 0.669 1.169 -86.430 1.00 0.00 H new ATOM 0 HA LEU B 77 -1.289 3.277 -87.126 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -0.529 0.800 -88.725 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -1.715 2.003 -89.189 1.00 0.00 H new ATOM 0 HG LEU B 77 0.370 3.665 -89.040 1.00 0.00 H new ATOM 0 HD11 LEU B 77 2.442 2.537 -89.724 1.00 0.00 H new ATOM 0 HD12 LEU B 77 1.898 1.974 -88.126 1.00 0.00 H new ATOM 0 HD13 LEU B 77 1.639 0.957 -89.563 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.749 3.253 -91.431 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -0.079 1.683 -91.296 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -0.984 3.193 -91.033 1.00 0.00 H new ATOM 1382 N ASN B 78 -3.266 1.863 -86.542 1.00 0.00 N ATOM 1383 CA ASN B 78 -4.385 1.123 -85.972 1.00 0.00 C ATOM 1384 C ASN B 78 -5.600 1.166 -86.890 1.00 0.00 C ATOM 1385 O ASN B 78 -5.954 2.221 -87.418 1.00 0.00 O ATOM 1386 CB ASN B 78 -4.736 1.661 -84.597 1.00 0.00 C ATOM 1387 CG ASN B 78 -3.665 1.387 -83.578 1.00 0.00 C ATOM 1388 OD1 ASN B 78 -3.415 0.230 -83.219 1.00 0.00 O ATOM 1389 ND2 ASN B 78 -3.027 2.427 -83.106 1.00 0.00 N ATOM 0 H ASN B 78 -3.511 2.785 -86.902 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.080 0.082 -85.870 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -4.903 2.736 -84.663 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -5.672 1.213 -84.264 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -2.289 2.301 -82.413 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -3.267 3.363 -83.431 1.00 0.00 H new ATOM 1396 N ILE B 79 -6.235 0.014 -87.078 1.00 0.00 N ATOM 1397 CA ILE B 79 -7.506 -0.053 -87.791 1.00 0.00 C ATOM 1398 C ILE B 79 -8.616 -0.576 -86.889 1.00 0.00 C ATOM 1399 O ILE B 79 -8.564 -1.713 -86.420 1.00 0.00 O ATOM 1400 CB ILE B 79 -7.389 -0.950 -89.036 1.00 0.00 C ATOM 1401 CG1 ILE B 79 -6.342 -0.389 -90.003 1.00 0.00 C ATOM 1402 CG2 ILE B 79 -8.738 -1.082 -89.725 1.00 0.00 C ATOM 1403 CD1 ILE B 79 -6.053 -1.291 -91.181 1.00 0.00 C ATOM 0 H ILE B 79 -5.890 -0.887 -86.746 1.00 0.00 H new ATOM 0 HA ILE B 79 -7.757 0.960 -88.104 1.00 0.00 H new ATOM 0 HB ILE B 79 -7.067 -1.942 -88.719 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -6.684 0.578 -90.373 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -5.415 -0.212 -89.457 1.00 0.00 H new ATOM 0 HG21 ILE B 79 -8.637 -1.720 -90.603 1.00 0.00 H new ATOM 0 HG22 ILE B 79 -9.457 -1.525 -89.036 1.00 0.00 H new ATOM 0 HG23 ILE B 79 -9.088 -0.096 -90.031 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -5.302 -0.826 -91.820 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -5.680 -2.250 -90.822 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -6.968 -1.448 -91.752 1.00 0.00 H new ATOM 1415 N THR B 80 -9.620 0.260 -86.651 1.00 0.00 N ATOM 1416 CA THR B 80 -10.704 -0.085 -85.737 1.00 0.00 C ATOM 1417 C THR B 80 -11.871 -0.721 -86.480 1.00 0.00 C ATOM 1418 O THR B 80 -12.478 -0.098 -87.351 1.00 0.00 O ATOM 1419 CB THR B 80 -11.194 1.156 -84.967 1.00 0.00 C ATOM 1420 OG1 THR B 80 -10.117 1.698 -84.193 1.00 0.00 O ATOM 1421 CG2 THR B 80 -12.343 0.787 -84.041 1.00 0.00 C ATOM 0 H THR B 80 -9.707 1.182 -87.078 1.00 0.00 H new ATOM 0 HA THR B 80 -10.308 -0.809 -85.025 1.00 0.00 H new ATOM 0 HB THR B 80 -11.542 1.898 -85.686 1.00 0.00 H new ATOM 0 HG1 THR B 80 -10.430 2.488 -83.705 1.00 0.00 H new ATOM 0 HG21 THR B 80 -12.677 1.675 -83.504 1.00 0.00 H new ATOM 0 HG22 THR B 80 -13.169 0.385 -84.628 1.00 0.00 H new ATOM 0 HG23 THR B 80 -12.007 0.036 -83.326 1.00 0.00 H new ATOM 1429 N LEU B 81 -12.180 -1.965 -86.132 1.00 0.00 N ATOM 1430 CA LEU B 81 -13.322 -2.661 -86.712 1.00 0.00 C ATOM 1431 C LEU B 81 -14.468 -2.766 -85.715 1.00 0.00 C ATOM 1432 O LEU B 81 -14.251 -2.772 -84.503 1.00 0.00 O ATOM 1433 CB LEU B 81 -12.909 -4.065 -87.175 1.00 0.00 C ATOM 1434 CG LEU B 81 -11.754 -4.119 -88.183 1.00 0.00 C ATOM 1435 CD1 LEU B 81 -11.415 -5.572 -88.489 1.00 0.00 C ATOM 1436 CD2 LEU B 81 -12.149 -3.372 -89.448 1.00 0.00 C ATOM 0 H LEU B 81 -11.655 -2.513 -85.450 1.00 0.00 H new ATOM 0 HA LEU B 81 -13.665 -2.083 -87.570 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -12.630 -4.649 -86.298 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -13.778 -4.552 -87.619 1.00 0.00 H new ATOM 0 HG LEU B 81 -10.870 -3.640 -87.763 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -10.594 -5.611 -89.205 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -11.119 -6.078 -87.570 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -12.289 -6.068 -88.911 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -11.328 -3.410 -90.164 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -13.033 -3.837 -89.884 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -12.369 -2.333 -89.203 1.00 0.00 H new