USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 584 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 43 LYS NZ :NH3+ -110:sc= 0.157 (180deg=-0.0735) USER MOD Set 1.2: A 73 SER OG : rot 97:sc= 0.152 USER MOD Set 2.1: A 30 LYS NZ :NH3+ 152:sc= 0.0739 (180deg=-0.908) USER MOD Set 2.2: A 34 SER OG : rot 62:sc= 0.198 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -151:sc= -0.0569 (180deg=-0.432) USER MOD Single : A 8 ASN : amide:sc= -3.78! C(o=-3.8!,f=-17!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= -0.0504 (180deg=-0.484) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.63! X(o=-1.6!,f=-2.1) USER MOD Single : A 23 THR OG1 : rot 105:sc= 0.779 USER MOD Single : A 27 THR OG1 : rot 170:sc= -2.39! USER MOD Single : A 28 LYS NZ :NH3+ -158:sc= 0.819 (180deg=0.5) USER MOD Single : A 29 THR OG1 : rot -11:sc= -2.88! USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 36 SER OG : rot 100:sc= -0.218! USER MOD Single : A 37 CYS SG : rot 160:sc= -2.13 USER MOD Single : A 40 SER OG : rot 109:sc= -0.849 USER MOD Single : A 41 GLN : amide:sc= -5.2! C(o=-5.2!,f=-6.9!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -53:sc= 0.96 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -4.15! C(o=-4.2!,f=-6.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 40:sc= -5.21! USER MOD Single : A 63 LYS NZ :NH3+ -111:sc= 0.503 (180deg=-4.24!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -165:sc= -0.0102 (180deg=-0.417) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -0.894 -17.825 1.829 1.00 0.00 N ATOM 21 CA VAL A 2 -0.198 -17.449 0.600 1.00 0.00 C ATOM 22 C VAL A 2 0.918 -16.460 0.902 1.00 0.00 C ATOM 23 O VAL A 2 0.710 -15.440 1.557 1.00 0.00 O ATOM 24 CB VAL A 2 -1.196 -16.862 -0.424 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.595 -16.779 0.190 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.768 -15.456 -0.871 1.00 0.00 C ATOM 0 HA VAL A 2 0.251 -18.342 0.164 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.207 -17.523 -1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.289 -16.364 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.926 -17.777 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.568 -16.137 1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.488 -15.068 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.729 -14.795 -0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.217 -15.506 -1.334 1.00 0.00 H new ATOM 36 N SER A 3 2.099 -16.777 0.398 1.00 0.00 N ATOM 37 CA SER A 3 3.270 -15.932 0.580 1.00 0.00 C ATOM 38 C SER A 3 3.475 -15.087 -0.666 1.00 0.00 C ATOM 39 O SER A 3 3.307 -15.571 -1.784 1.00 0.00 O ATOM 40 CB SER A 3 4.508 -16.793 0.832 1.00 0.00 C ATOM 41 OG SER A 3 4.737 -17.627 -0.297 1.00 0.00 O ATOM 0 H SER A 3 2.274 -17.622 -0.146 1.00 0.00 H new ATOM 0 HA SER A 3 3.115 -15.283 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.376 -16.159 1.012 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.367 -17.401 1.725 1.00 0.00 H new ATOM 0 HG SER A 3 5.531 -18.179 -0.140 1.00 0.00 H new ATOM 47 N LEU A 4 3.819 -13.820 -0.478 1.00 0.00 N ATOM 48 CA LEU A 4 4.018 -12.928 -1.615 1.00 0.00 C ATOM 49 C LEU A 4 5.294 -12.122 -1.462 1.00 0.00 C ATOM 50 O LEU A 4 5.979 -12.201 -0.444 1.00 0.00 O ATOM 51 CB LEU A 4 2.831 -11.974 -1.736 1.00 0.00 C ATOM 52 CG LEU A 4 1.551 -12.787 -1.914 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.337 -11.868 -1.769 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.542 -13.454 -3.298 1.00 0.00 C ATOM 0 H LEU A 4 3.965 -13.390 0.436 1.00 0.00 H new ATOM 0 HA LEU A 4 4.099 -13.539 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.759 -11.349 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.972 -11.304 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 4 1.508 -13.563 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.576 -12.449 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.342 -11.412 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.379 -11.087 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.626 -14.032 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.591 -12.688 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.403 -14.116 -3.388 1.00 0.00 H new ATOM 66 N THR A 5 5.596 -11.343 -2.490 1.00 0.00 N ATOM 67 CA THR A 5 6.793 -10.504 -2.483 1.00 0.00 C ATOM 68 C THR A 5 6.464 -9.096 -2.955 1.00 0.00 C ATOM 69 O THR A 5 6.071 -8.892 -4.102 1.00 0.00 O ATOM 70 CB THR A 5 7.873 -11.096 -3.396 1.00 0.00 C ATOM 71 OG1 THR A 5 8.539 -12.151 -2.716 1.00 0.00 O ATOM 72 CG2 THR A 5 8.887 -10.005 -3.773 1.00 0.00 C ATOM 0 H THR A 5 5.034 -11.272 -3.338 1.00 0.00 H new ATOM 0 HA THR A 5 7.165 -10.465 -1.459 1.00 0.00 H new ATOM 0 HB THR A 5 7.409 -11.483 -4.303 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.229 -12.532 -3.299 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.653 -10.429 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.375 -9.197 -4.296 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.353 -9.614 -2.869 1.00 0.00 H new ATOM 80 N PHE A 6 6.645 -8.126 -2.070 1.00 0.00 N ATOM 81 CA PHE A 6 6.384 -6.737 -2.418 1.00 0.00 C ATOM 82 C PHE A 6 7.684 -6.069 -2.856 1.00 0.00 C ATOM 83 O PHE A 6 8.604 -5.913 -2.052 1.00 0.00 O ATOM 84 CB PHE A 6 5.808 -5.996 -1.211 1.00 0.00 C ATOM 85 CG PHE A 6 4.392 -6.454 -0.947 1.00 0.00 C ATOM 86 CD1 PHE A 6 4.137 -7.786 -0.594 1.00 0.00 C ATOM 87 CD2 PHE A 6 3.334 -5.543 -1.043 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.825 -8.202 -0.336 1.00 0.00 C ATOM 89 CE2 PHE A 6 2.024 -5.961 -0.785 1.00 0.00 C ATOM 90 CZ PHE A 6 1.770 -7.290 -0.431 1.00 0.00 C ATOM 0 H PHE A 6 6.969 -8.273 -1.114 1.00 0.00 H new ATOM 0 HA PHE A 6 5.663 -6.702 -3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.427 -6.179 -0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.823 -4.921 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.952 -8.491 -0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.529 -4.517 -1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.628 -9.228 -0.063 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.208 -5.257 -0.859 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.759 -7.612 -0.231 1.00 0.00 H new ATOM 100 N LYS A 7 7.769 -5.686 -4.130 1.00 0.00 N ATOM 101 CA LYS A 7 8.983 -5.053 -4.643 1.00 0.00 C ATOM 102 C LYS A 7 8.750 -3.572 -4.932 1.00 0.00 C ATOM 103 O LYS A 7 7.685 -3.179 -5.409 1.00 0.00 O ATOM 104 CB LYS A 7 9.462 -5.781 -5.909 1.00 0.00 C ATOM 105 CG LYS A 7 8.719 -5.254 -7.147 1.00 0.00 C ATOM 106 CD LYS A 7 9.411 -3.992 -7.700 1.00 0.00 C ATOM 107 CE LYS A 7 9.568 -4.112 -9.219 1.00 0.00 C ATOM 108 NZ LYS A 7 10.531 -5.205 -9.533 1.00 0.00 N ATOM 0 H LYS A 7 7.024 -5.801 -4.817 1.00 0.00 H new ATOM 0 HA LYS A 7 9.757 -5.126 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.535 -5.638 -6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.293 -6.853 -5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.690 -6.026 -7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.686 -5.024 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.824 -3.107 -7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.388 -3.867 -7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.602 -4.320 -9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.923 -3.169 -9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.011 -4.997 -10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.236 -5.276 -8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.019 -6.106 -9.615 1.00 0.00 H new ATOM 122 N ASN A 8 9.758 -2.757 -4.631 1.00 0.00 N ATOM 123 CA ASN A 8 9.670 -1.316 -4.850 1.00 0.00 C ATOM 124 C ASN A 8 10.592 -0.886 -5.986 1.00 0.00 C ATOM 125 O ASN A 8 11.060 -1.715 -6.767 1.00 0.00 O ATOM 126 CB ASN A 8 10.070 -0.578 -3.571 1.00 0.00 C ATOM 127 CG ASN A 8 11.509 -0.923 -3.204 1.00 0.00 C ATOM 128 OD1 ASN A 8 12.259 -1.430 -4.040 1.00 0.00 O ATOM 129 ND2 ASN A 8 11.945 -0.679 -1.999 1.00 0.00 N ATOM 0 H ASN A 8 10.644 -3.070 -4.235 1.00 0.00 H new ATOM 0 HA ASN A 8 8.643 -1.069 -5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.970 0.498 -3.715 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.401 -0.855 -2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.907 -0.908 -1.749 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.324 -0.259 -1.307 1.00 0.00 H new ATOM 136 N PHE A 9 10.854 0.414 -6.069 1.00 0.00 N ATOM 137 CA PHE A 9 11.728 0.944 -7.109 1.00 0.00 C ATOM 138 C PHE A 9 13.189 0.754 -6.717 1.00 0.00 C ATOM 139 O PHE A 9 14.097 1.070 -7.486 1.00 0.00 O ATOM 140 CB PHE A 9 11.442 2.433 -7.320 1.00 0.00 C ATOM 141 CG PHE A 9 11.862 2.841 -8.712 1.00 0.00 C ATOM 142 CD1 PHE A 9 10.986 2.657 -9.789 1.00 0.00 C ATOM 143 CD2 PHE A 9 13.126 3.403 -8.926 1.00 0.00 C ATOM 144 CE1 PHE A 9 11.374 3.036 -11.079 1.00 0.00 C ATOM 145 CE2 PHE A 9 13.514 3.781 -10.217 1.00 0.00 C ATOM 146 CZ PHE A 9 12.638 3.598 -11.294 1.00 0.00 C ATOM 0 H PHE A 9 10.476 1.116 -5.433 1.00 0.00 H new ATOM 0 HA PHE A 9 11.536 0.404 -8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.380 2.633 -7.177 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.980 3.025 -6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 9 10.011 2.223 -9.624 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.802 3.545 -8.096 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.698 2.895 -11.909 1.00 0.00 H new ATOM 0 HE2 PHE A 9 14.489 4.214 -10.382 1.00 0.00 H new ATOM 0 HZ PHE A 9 12.937 3.890 -12.290 1.00 0.00 H new ATOM 156 N LYS A 10 13.403 0.229 -5.515 1.00 0.00 N ATOM 157 CA LYS A 10 14.754 -0.011 -5.019 1.00 0.00 C ATOM 158 C LYS A 10 15.158 -1.448 -5.311 1.00 0.00 C ATOM 159 O LYS A 10 16.184 -1.930 -4.830 1.00 0.00 O ATOM 160 CB LYS A 10 14.809 0.245 -3.511 1.00 0.00 C ATOM 161 CG LYS A 10 14.395 1.692 -3.216 1.00 0.00 C ATOM 162 CD LYS A 10 15.471 2.670 -3.724 1.00 0.00 C ATOM 163 CE LYS A 10 14.942 3.441 -4.938 1.00 0.00 C ATOM 164 NZ LYS A 10 16.071 4.139 -5.613 1.00 0.00 N ATOM 0 H LYS A 10 12.661 -0.038 -4.868 1.00 0.00 H new ATOM 0 HA LYS A 10 15.445 0.667 -5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.146 -0.446 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.817 0.062 -3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.441 1.909 -3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.250 1.825 -2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.746 3.366 -2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.374 2.123 -3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.456 2.757 -5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.189 4.164 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.713 4.662 -6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.516 4.803 -4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.774 3.440 -5.926 1.00 0.00 H new ATOM 178 N LYS A 11 14.336 -2.121 -6.106 1.00 0.00 N ATOM 179 CA LYS A 11 14.592 -3.508 -6.476 1.00 0.00 C ATOM 180 C LYS A 11 14.667 -4.404 -5.242 1.00 0.00 C ATOM 181 O LYS A 11 15.190 -5.516 -5.305 1.00 0.00 O ATOM 182 CB LYS A 11 15.900 -3.610 -7.269 1.00 0.00 C ATOM 183 CG LYS A 11 15.725 -2.954 -8.650 1.00 0.00 C ATOM 184 CD LYS A 11 16.818 -1.902 -8.868 1.00 0.00 C ATOM 185 CE LYS A 11 16.830 -1.472 -10.336 1.00 0.00 C ATOM 186 NZ LYS A 11 17.343 -2.590 -11.177 1.00 0.00 N ATOM 0 H LYS A 11 13.485 -1.728 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 11 13.763 -3.848 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.706 -3.120 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.184 -4.656 -7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.776 -3.712 -9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.741 -2.490 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.639 -1.039 -8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 11 17.790 -2.310 -8.590 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.824 -1.196 -10.653 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.458 -0.590 -10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.733 -2.208 -12.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.089 -3.098 -10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.565 -3.245 -11.395 1.00 0.00 H new ATOM 200 N GLU A 12 14.134 -3.920 -4.122 1.00 0.00 N ATOM 201 CA GLU A 12 14.141 -4.697 -2.884 1.00 0.00 C ATOM 202 C GLU A 12 12.795 -5.384 -2.688 1.00 0.00 C ATOM 203 O GLU A 12 11.745 -4.777 -2.891 1.00 0.00 O ATOM 204 CB GLU A 12 14.422 -3.788 -1.687 1.00 0.00 C ATOM 205 CG GLU A 12 15.720 -3.012 -1.923 1.00 0.00 C ATOM 206 CD GLU A 12 16.221 -2.422 -0.610 1.00 0.00 C ATOM 207 OE1 GLU A 12 15.393 -2.011 0.186 1.00 0.00 O ATOM 208 OE2 GLU A 12 17.425 -2.391 -0.418 1.00 0.00 O ATOM 0 H GLU A 12 13.696 -3.002 -4.046 1.00 0.00 H new ATOM 0 HA GLU A 12 14.926 -5.450 -2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.594 -3.095 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.503 -4.383 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.476 -3.673 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.551 -2.216 -2.648 1.00 0.00 H new ATOM 215 N LYS A 13 12.832 -6.654 -2.296 1.00 0.00 N ATOM 216 CA LYS A 13 11.610 -7.419 -2.080 1.00 0.00 C ATOM 217 C LYS A 13 11.331 -7.583 -0.589 1.00 0.00 C ATOM 218 O LYS A 13 12.238 -7.855 0.198 1.00 0.00 O ATOM 219 CB LYS A 13 11.739 -8.802 -2.734 1.00 0.00 C ATOM 220 CG LYS A 13 13.212 -9.237 -2.757 1.00 0.00 C ATOM 221 CD LYS A 13 13.901 -8.690 -4.016 1.00 0.00 C ATOM 222 CE LYS A 13 13.720 -9.675 -5.174 1.00 0.00 C ATOM 223 NZ LYS A 13 14.305 -9.093 -6.415 1.00 0.00 N ATOM 0 H LYS A 13 13.693 -7.173 -2.122 1.00 0.00 H new ATOM 0 HA LYS A 13 10.780 -6.876 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.145 -9.531 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.344 -8.771 -3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.722 -8.872 -1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.279 -10.325 -2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.479 -7.721 -4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.962 -8.533 -3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.206 -10.622 -4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.661 -9.888 -5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.183 -9.761 -7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.822 -8.200 -6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.319 -8.912 -6.269 1.00 0.00 H new ATOM 237 N VAL A 14 10.065 -7.425 -0.216 1.00 0.00 N ATOM 238 CA VAL A 14 9.653 -7.563 1.179 1.00 0.00 C ATOM 239 C VAL A 14 8.615 -8.677 1.304 1.00 0.00 C ATOM 240 O VAL A 14 7.415 -8.435 1.165 1.00 0.00 O ATOM 241 CB VAL A 14 9.055 -6.246 1.679 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.813 -6.335 3.187 1.00 0.00 C ATOM 243 CG2 VAL A 14 10.028 -5.102 1.386 1.00 0.00 C ATOM 0 H VAL A 14 9.306 -7.201 -0.859 1.00 0.00 H new ATOM 0 HA VAL A 14 10.525 -7.813 1.783 1.00 0.00 H new ATOM 0 HB VAL A 14 8.109 -6.060 1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.387 -5.397 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.121 -7.151 3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.758 -6.521 3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.603 -4.163 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.973 -5.289 1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.201 -5.038 0.312 1.00 0.00 H new ATOM 253 N PRO A 15 9.053 -9.888 1.544 1.00 0.00 N ATOM 254 CA PRO A 15 8.142 -11.063 1.673 1.00 0.00 C ATOM 255 C PRO A 15 7.014 -10.835 2.676 1.00 0.00 C ATOM 256 O PRO A 15 7.199 -10.182 3.702 1.00 0.00 O ATOM 257 CB PRO A 15 9.063 -12.196 2.137 1.00 0.00 C ATOM 258 CG PRO A 15 10.432 -11.799 1.694 1.00 0.00 C ATOM 259 CD PRO A 15 10.464 -10.271 1.716 1.00 0.00 C ATOM 0 HA PRO A 15 7.633 -11.275 0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.020 -12.319 3.219 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.768 -13.148 1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.191 -12.213 2.358 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.642 -12.178 0.694 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.870 -9.893 2.654 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.087 -9.872 0.916 1.00 0.00 H new ATOM 267 N LEU A 16 5.847 -11.394 2.367 1.00 0.00 N ATOM 268 CA LEU A 16 4.681 -11.271 3.236 1.00 0.00 C ATOM 269 C LEU A 16 3.798 -12.508 3.114 1.00 0.00 C ATOM 270 O LEU A 16 3.984 -13.331 2.219 1.00 0.00 O ATOM 271 CB LEU A 16 3.855 -10.036 2.849 1.00 0.00 C ATOM 272 CG LEU A 16 4.504 -8.764 3.403 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.743 -7.536 2.881 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.465 -8.778 4.940 1.00 0.00 C ATOM 0 H LEU A 16 5.684 -11.938 1.519 1.00 0.00 H new ATOM 0 HA LEU A 16 5.033 -11.170 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.776 -9.969 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.841 -10.133 3.237 1.00 0.00 H new ATOM 0 HG LEU A 16 5.543 -8.720 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.203 -6.629 3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.782 -7.520 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.704 -7.586 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.929 -7.869 5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.430 -8.827 5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.009 -9.647 5.310 1.00 0.00 H new ATOM 286 N ASP A 17 2.829 -12.616 4.014 1.00 0.00 N ATOM 287 CA ASP A 17 1.895 -13.739 4.007 1.00 0.00 C ATOM 288 C ASP A 17 0.484 -13.229 4.268 1.00 0.00 C ATOM 289 O ASP A 17 0.271 -12.406 5.158 1.00 0.00 O ATOM 290 CB ASP A 17 2.277 -14.753 5.082 1.00 0.00 C ATOM 291 CG ASP A 17 2.088 -14.142 6.467 1.00 0.00 C ATOM 292 OD1 ASP A 17 2.981 -13.438 6.910 1.00 0.00 O ATOM 293 OD2 ASP A 17 1.054 -14.388 7.065 1.00 0.00 O ATOM 0 H ASP A 17 2.668 -11.939 4.760 1.00 0.00 H new ATOM 0 HA ASP A 17 1.936 -14.225 3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.663 -15.648 4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.314 -15.062 4.950 1.00 0.00 H new ATOM 298 N LEU A 18 -0.473 -13.706 3.482 1.00 0.00 N ATOM 299 CA LEU A 18 -1.859 -13.266 3.633 1.00 0.00 C ATOM 300 C LEU A 18 -2.839 -14.423 3.498 1.00 0.00 C ATOM 301 O LEU A 18 -2.447 -15.568 3.266 1.00 0.00 O ATOM 302 CB LEU A 18 -2.181 -12.223 2.562 1.00 0.00 C ATOM 303 CG LEU A 18 -1.432 -10.915 2.867 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.452 -10.602 1.735 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.440 -9.773 3.002 1.00 0.00 C ATOM 0 H LEU A 18 -0.321 -14.390 2.741 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.964 -12.842 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.894 -12.597 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.255 -12.039 2.532 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.878 -11.026 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.076 -9.674 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.268 -11.415 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.000 -10.493 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.911 -8.845 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.995 -9.666 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.133 -9.993 3.814 1.00 0.00 H new ATOM 317 N GLU A 19 -4.123 -14.101 3.638 1.00 0.00 N ATOM 318 CA GLU A 19 -5.182 -15.096 3.525 1.00 0.00 C ATOM 319 C GLU A 19 -6.192 -14.655 2.465 1.00 0.00 C ATOM 320 O GLU A 19 -6.380 -13.459 2.245 1.00 0.00 O ATOM 321 CB GLU A 19 -5.887 -15.256 4.875 1.00 0.00 C ATOM 322 CG GLU A 19 -4.940 -15.937 5.866 1.00 0.00 C ATOM 323 CD GLU A 19 -5.656 -16.175 7.191 1.00 0.00 C ATOM 324 OE1 GLU A 19 -6.370 -15.286 7.625 1.00 0.00 O ATOM 325 OE2 GLU A 19 -5.479 -17.243 7.754 1.00 0.00 O ATOM 0 H GLU A 19 -4.454 -13.156 3.830 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.747 -16.052 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.191 -14.281 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.794 -15.849 4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.591 -16.885 5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.059 -15.315 6.026 1.00 0.00 H new ATOM 332 N PRO A 20 -6.843 -15.582 1.812 1.00 0.00 N ATOM 333 CA PRO A 20 -7.851 -15.258 0.765 1.00 0.00 C ATOM 334 C PRO A 20 -8.858 -14.228 1.259 1.00 0.00 C ATOM 335 O PRO A 20 -9.440 -13.480 0.472 1.00 0.00 O ATOM 336 CB PRO A 20 -8.547 -16.596 0.466 1.00 0.00 C ATOM 337 CG PRO A 20 -8.001 -17.598 1.440 1.00 0.00 C ATOM 338 CD PRO A 20 -6.698 -17.029 1.996 1.00 0.00 C ATOM 0 HA PRO A 20 -7.387 -14.821 -0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.628 -16.502 0.574 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.355 -16.910 -0.560 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.714 -17.780 2.244 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.824 -18.554 0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.564 -17.287 3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.831 -17.416 1.460 1.00 0.00 H new ATOM 346 N SER A 21 -9.065 -14.205 2.569 1.00 0.00 N ATOM 347 CA SER A 21 -10.016 -13.270 3.164 1.00 0.00 C ATOM 348 C SER A 21 -9.351 -11.932 3.467 1.00 0.00 C ATOM 349 O SER A 21 -10.002 -10.888 3.423 1.00 0.00 O ATOM 350 CB SER A 21 -10.594 -13.858 4.451 1.00 0.00 C ATOM 351 OG SER A 21 -9.591 -13.859 5.460 1.00 0.00 O ATOM 0 H SER A 21 -8.593 -14.816 3.236 1.00 0.00 H new ATOM 0 HA SER A 21 -10.819 -13.103 2.447 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.454 -13.273 4.778 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.948 -14.873 4.273 1.00 0.00 H new ATOM 0 HG SER A 21 -9.959 -14.234 6.287 1.00 0.00 H new ATOM 357 N ASN A 22 -8.052 -11.956 3.750 1.00 0.00 N ATOM 358 CA ASN A 22 -7.338 -10.721 4.023 1.00 0.00 C ATOM 359 C ASN A 22 -7.321 -9.885 2.757 1.00 0.00 C ATOM 360 O ASN A 22 -7.132 -10.415 1.663 1.00 0.00 O ATOM 361 CB ASN A 22 -5.907 -11.010 4.478 1.00 0.00 C ATOM 362 CG ASN A 22 -5.909 -11.539 5.908 1.00 0.00 C ATOM 363 OD1 ASN A 22 -5.137 -12.439 6.238 1.00 0.00 O ATOM 364 ND2 ASN A 22 -6.731 -11.027 6.782 1.00 0.00 N ATOM 0 H ASN A 22 -7.484 -12.802 3.795 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.842 -10.181 4.825 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.446 -11.740 3.813 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.308 -10.101 4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.735 -11.372 7.742 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.370 -10.281 6.506 1.00 0.00 H new ATOM 371 N THR A 23 -7.547 -8.588 2.899 1.00 0.00 N ATOM 372 CA THR A 23 -7.585 -7.712 1.735 1.00 0.00 C ATOM 373 C THR A 23 -6.507 -6.643 1.788 1.00 0.00 C ATOM 374 O THR A 23 -5.909 -6.378 2.831 1.00 0.00 O ATOM 375 CB THR A 23 -8.965 -7.054 1.625 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.822 -5.712 1.178 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.646 -7.069 2.990 1.00 0.00 C ATOM 0 H THR A 23 -7.705 -8.123 3.793 1.00 0.00 H new ATOM 0 HA THR A 23 -7.395 -8.326 0.855 1.00 0.00 H new ATOM 0 HB THR A 23 -9.573 -7.608 0.910 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.086 -5.651 0.236 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.627 -6.601 2.912 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.761 -8.099 3.328 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.037 -6.518 3.706 1.00 0.00 H new ATOM 385 N ILE A 24 -6.278 -6.039 0.631 1.00 0.00 N ATOM 386 CA ILE A 24 -5.290 -4.993 0.474 1.00 0.00 C ATOM 387 C ILE A 24 -5.205 -4.120 1.712 1.00 0.00 C ATOM 388 O ILE A 24 -4.118 -3.762 2.152 1.00 0.00 O ATOM 389 CB ILE A 24 -5.687 -4.135 -0.727 1.00 0.00 C ATOM 390 CG1 ILE A 24 -6.005 -5.028 -1.935 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.561 -3.174 -1.074 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.979 -6.155 -2.048 1.00 0.00 C ATOM 0 H ILE A 24 -6.778 -6.266 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.312 -5.450 0.321 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.577 -3.561 -0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.006 -5.447 -1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.002 -4.432 -2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.852 -2.566 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.360 -2.526 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.662 -3.740 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.218 -6.779 -2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.983 -5.729 -2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.003 -6.761 -1.142 1.00 0.00 H new ATOM 404 N LEU A 25 -6.350 -3.778 2.273 1.00 0.00 N ATOM 405 CA LEU A 25 -6.364 -2.946 3.462 1.00 0.00 C ATOM 406 C LEU A 25 -5.320 -3.447 4.448 1.00 0.00 C ATOM 407 O LEU A 25 -4.530 -2.676 4.986 1.00 0.00 O ATOM 408 CB LEU A 25 -7.745 -2.990 4.119 1.00 0.00 C ATOM 409 CG LEU A 25 -7.872 -1.844 5.124 1.00 0.00 C ATOM 410 CD1 LEU A 25 -9.339 -1.680 5.528 1.00 0.00 C ATOM 411 CD2 LEU A 25 -7.022 -2.129 6.375 1.00 0.00 C ATOM 0 H LEU A 25 -7.269 -4.058 1.931 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.136 -1.919 3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.523 -2.909 3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.889 -3.946 4.622 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.513 -0.926 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.430 -0.863 6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.937 -1.456 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.696 -2.604 5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.124 -1.304 7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.364 -3.051 6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.976 -2.234 6.088 1.00 0.00 H new ATOM 423 N GLU A 26 -5.344 -4.751 4.678 1.00 0.00 N ATOM 424 CA GLU A 26 -4.419 -5.383 5.613 1.00 0.00 C ATOM 425 C GLU A 26 -3.008 -5.517 5.040 1.00 0.00 C ATOM 426 O GLU A 26 -2.036 -5.216 5.732 1.00 0.00 O ATOM 427 CB GLU A 26 -4.943 -6.765 6.005 1.00 0.00 C ATOM 428 CG GLU A 26 -6.208 -6.611 6.853 1.00 0.00 C ATOM 429 CD GLU A 26 -5.837 -6.179 8.268 1.00 0.00 C ATOM 430 OE1 GLU A 26 -5.258 -6.983 8.979 1.00 0.00 O ATOM 431 OE2 GLU A 26 -6.139 -5.051 8.620 1.00 0.00 O ATOM 0 H GLU A 26 -5.995 -5.396 4.230 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.357 -4.738 6.490 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.161 -7.350 5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.182 -7.309 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.871 -5.874 6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.753 -7.554 6.883 1.00 0.00 H new ATOM 438 N THR A 27 -2.876 -5.963 3.790 1.00 0.00 N ATOM 439 CA THR A 27 -1.546 -6.102 3.217 1.00 0.00 C ATOM 440 C THR A 27 -0.838 -4.760 3.309 1.00 0.00 C ATOM 441 O THR A 27 0.311 -4.675 3.741 1.00 0.00 O ATOM 442 CB THR A 27 -1.642 -6.608 1.767 1.00 0.00 C ATOM 443 OG1 THR A 27 -0.780 -7.724 1.606 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.237 -5.516 0.780 1.00 0.00 C ATOM 0 H THR A 27 -3.647 -6.225 3.176 1.00 0.00 H new ATOM 0 HA THR A 27 -0.966 -6.840 3.771 1.00 0.00 H new ATOM 0 HB THR A 27 -2.675 -6.893 1.566 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.953 -8.149 0.740 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.313 -5.899 -0.238 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.899 -4.658 0.895 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.209 -5.211 0.977 1.00 0.00 H new ATOM 452 N LYS A 28 -1.552 -3.713 2.928 1.00 0.00 N ATOM 453 CA LYS A 28 -1.008 -2.369 2.999 1.00 0.00 C ATOM 454 C LYS A 28 -0.595 -2.049 4.435 1.00 0.00 C ATOM 455 O LYS A 28 0.455 -1.453 4.664 1.00 0.00 O ATOM 456 CB LYS A 28 -2.049 -1.361 2.530 1.00 0.00 C ATOM 457 CG LYS A 28 -2.122 -1.373 1.002 1.00 0.00 C ATOM 458 CD LYS A 28 -2.784 -0.084 0.528 1.00 0.00 C ATOM 459 CE LYS A 28 -2.676 0.028 -0.994 1.00 0.00 C ATOM 460 NZ LYS A 28 -3.141 1.377 -1.426 1.00 0.00 N ATOM 0 H LYS A 28 -2.505 -3.768 2.568 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.133 -2.308 2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.023 -1.606 2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.789 -0.363 2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.122 -1.461 0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.691 -2.237 0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.832 -0.071 0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.306 0.775 0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.645 -0.131 -1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.278 -0.746 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.424 1.343 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.954 1.666 -0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.370 2.064 -1.307 1.00 0.00 H new ATOM 474 N THR A 29 -1.426 -2.454 5.403 1.00 0.00 N ATOM 475 CA THR A 29 -1.122 -2.202 6.806 1.00 0.00 C ATOM 476 C THR A 29 0.171 -2.902 7.205 1.00 0.00 C ATOM 477 O THR A 29 1.131 -2.261 7.630 1.00 0.00 O ATOM 478 CB THR A 29 -2.273 -2.704 7.688 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.488 -2.635 6.961 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.380 -1.832 8.936 1.00 0.00 C ATOM 0 H THR A 29 -2.302 -2.951 5.238 1.00 0.00 H new ATOM 0 HA THR A 29 -0.999 -1.128 6.947 1.00 0.00 H new ATOM 0 HB THR A 29 -2.080 -3.736 7.982 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.348 -2.123 6.137 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.198 -2.190 9.561 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.446 -1.882 9.496 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.572 -0.800 8.643 1.00 0.00 H new ATOM 488 N LYS A 30 0.190 -4.223 7.065 1.00 0.00 N ATOM 489 CA LYS A 30 1.374 -4.992 7.412 1.00 0.00 C ATOM 490 C LYS A 30 2.591 -4.428 6.691 1.00 0.00 C ATOM 491 O LYS A 30 3.550 -3.987 7.324 1.00 0.00 O ATOM 492 CB LYS A 30 1.179 -6.459 7.024 1.00 0.00 C ATOM 493 CG LYS A 30 2.415 -7.269 7.429 1.00 0.00 C ATOM 494 CD LYS A 30 2.466 -7.420 8.956 1.00 0.00 C ATOM 495 CE LYS A 30 3.290 -8.656 9.322 1.00 0.00 C ATOM 496 NZ LYS A 30 4.521 -8.702 8.482 1.00 0.00 N ATOM 0 H LYS A 30 -0.593 -4.777 6.717 1.00 0.00 H new ATOM 0 HA LYS A 30 1.533 -4.926 8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.292 -6.860 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.014 -6.542 5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.386 -8.252 6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.318 -6.772 7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.907 -6.530 9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.456 -7.512 9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.559 -8.627 10.378 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.699 -9.559 9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.274 -9.201 8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.317 -9.205 7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.831 -7.733 8.268 1.00 0.00 H new ATOM 510 N LEU A 31 2.542 -4.438 5.363 1.00 0.00 N ATOM 511 CA LEU A 31 3.646 -3.917 4.570 1.00 0.00 C ATOM 512 C LEU A 31 4.138 -2.599 5.154 1.00 0.00 C ATOM 513 O LEU A 31 5.297 -2.223 4.980 1.00 0.00 O ATOM 514 CB LEU A 31 3.183 -3.700 3.129 1.00 0.00 C ATOM 515 CG LEU A 31 4.338 -3.155 2.282 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.486 -4.172 2.262 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.840 -2.906 0.853 1.00 0.00 C ATOM 0 H LEU A 31 1.758 -4.798 4.819 1.00 0.00 H new ATOM 0 HA LEU A 31 4.464 -4.637 4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.825 -4.640 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.346 -3.002 3.109 1.00 0.00 H new ATOM 0 HG LEU A 31 4.698 -2.220 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.306 -3.783 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.835 -4.347 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.134 -5.110 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.657 -2.518 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.482 -3.842 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.026 -2.181 0.872 1.00 0.00 H new ATOM 529 N ALA A 32 3.245 -1.903 5.849 1.00 0.00 N ATOM 530 CA ALA A 32 3.591 -0.623 6.459 1.00 0.00 C ATOM 531 C ALA A 32 4.324 -0.842 7.781 1.00 0.00 C ATOM 532 O ALA A 32 5.276 -0.132 8.103 1.00 0.00 O ATOM 533 CB ALA A 32 2.317 0.205 6.693 1.00 0.00 C ATOM 0 H ALA A 32 2.282 -2.201 6.004 1.00 0.00 H new ATOM 0 HA ALA A 32 4.251 -0.080 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.582 1.159 7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.819 0.384 5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.646 -0.340 7.357 1.00 0.00 H new ATOM 539 N GLN A 33 3.868 -1.830 8.541 1.00 0.00 N ATOM 540 CA GLN A 33 4.476 -2.142 9.831 1.00 0.00 C ATOM 541 C GLN A 33 5.760 -2.942 9.644 1.00 0.00 C ATOM 542 O GLN A 33 6.559 -3.080 10.570 1.00 0.00 O ATOM 543 CB GLN A 33 3.495 -2.938 10.694 1.00 0.00 C ATOM 544 CG GLN A 33 2.282 -2.066 11.023 1.00 0.00 C ATOM 545 CD GLN A 33 1.433 -2.740 12.095 1.00 0.00 C ATOM 546 OE1 GLN A 33 1.492 -3.958 12.262 1.00 0.00 O ATOM 547 NE2 GLN A 33 0.640 -2.016 12.838 1.00 0.00 N ATOM 0 H GLN A 33 3.081 -2.428 8.288 1.00 0.00 H new ATOM 0 HA GLN A 33 4.719 -1.204 10.330 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.177 -3.838 10.167 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.983 -3.263 11.613 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.611 -1.086 11.370 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.686 -1.903 10.125 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.592 -1.007 12.699 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.069 -2.460 13.557 1.00 0.00 H new ATOM 556 N SER A 34 5.948 -3.469 8.442 1.00 0.00 N ATOM 557 CA SER A 34 7.135 -4.257 8.141 1.00 0.00 C ATOM 558 C SER A 34 8.315 -3.333 7.896 1.00 0.00 C ATOM 559 O SER A 34 9.397 -3.525 8.452 1.00 0.00 O ATOM 560 CB SER A 34 6.892 -5.121 6.903 1.00 0.00 C ATOM 561 OG SER A 34 5.869 -6.067 7.184 1.00 0.00 O ATOM 0 H SER A 34 5.298 -3.366 7.663 1.00 0.00 H new ATOM 0 HA SER A 34 7.354 -4.906 8.989 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.602 -4.495 6.059 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.810 -5.635 6.618 1.00 0.00 H new ATOM 0 HG SER A 34 5.037 -5.595 7.399 1.00 0.00 H new ATOM 567 N ILE A 35 8.092 -2.318 7.069 1.00 0.00 N ATOM 568 CA ILE A 35 9.126 -1.355 6.762 1.00 0.00 C ATOM 569 C ILE A 35 8.941 -0.113 7.625 1.00 0.00 C ATOM 570 O ILE A 35 9.805 0.762 7.665 1.00 0.00 O ATOM 571 CB ILE A 35 9.066 -0.992 5.281 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.793 -0.187 4.992 1.00 0.00 C ATOM 573 CG2 ILE A 35 9.057 -2.275 4.447 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.564 -0.101 3.478 1.00 0.00 C ATOM 0 H ILE A 35 7.202 -2.146 6.602 1.00 0.00 H new ATOM 0 HA ILE A 35 10.104 -1.787 6.976 1.00 0.00 H new ATOM 0 HB ILE A 35 9.937 -0.389 5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.936 -0.660 5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.882 0.815 5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.014 -2.020 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.964 -2.845 4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.186 -2.875 4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.658 0.472 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.416 0.392 3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.455 -1.105 3.069 1.00 0.00 H new ATOM 586 N SER A 36 7.807 -0.058 8.329 1.00 0.00 N ATOM 587 CA SER A 36 7.511 1.072 9.214 1.00 0.00 C ATOM 588 C SER A 36 6.855 2.217 8.448 1.00 0.00 C ATOM 589 O SER A 36 6.886 3.367 8.885 1.00 0.00 O ATOM 590 CB SER A 36 8.792 1.570 9.893 1.00 0.00 C ATOM 591 OG SER A 36 9.687 0.480 10.062 1.00 0.00 O ATOM 0 H SER A 36 7.084 -0.777 8.304 1.00 0.00 H new ATOM 0 HA SER A 36 6.813 0.723 9.975 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.258 2.348 9.289 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.556 2.015 10.860 1.00 0.00 H new ATOM 0 HG SER A 36 10.364 0.499 9.353 1.00 0.00 H new ATOM 597 N CYS A 37 6.250 1.891 7.315 1.00 0.00 N ATOM 598 CA CYS A 37 5.569 2.891 6.501 1.00 0.00 C ATOM 599 C CYS A 37 4.085 2.893 6.837 1.00 0.00 C ATOM 600 O CYS A 37 3.652 2.176 7.736 1.00 0.00 O ATOM 601 CB CYS A 37 5.762 2.584 5.015 1.00 0.00 C ATOM 602 SG CYS A 37 7.360 3.233 4.466 1.00 0.00 S ATOM 0 H CYS A 37 6.216 0.944 6.938 1.00 0.00 H new ATOM 0 HA CYS A 37 5.993 3.872 6.714 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.717 1.508 4.846 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.956 3.032 4.433 1.00 0.00 H new ATOM 0 HG CYS A 37 7.720 2.631 3.371 1.00 0.00 H new ATOM 608 N GLU A 38 3.310 3.695 6.114 1.00 0.00 N ATOM 609 CA GLU A 38 1.871 3.764 6.353 1.00 0.00 C ATOM 610 C GLU A 38 1.103 3.221 5.146 1.00 0.00 C ATOM 611 O GLU A 38 1.585 3.270 4.015 1.00 0.00 O ATOM 612 CB GLU A 38 1.456 5.212 6.640 1.00 0.00 C ATOM 613 CG GLU A 38 1.130 5.926 5.330 1.00 0.00 C ATOM 614 CD GLU A 38 1.043 7.431 5.561 1.00 0.00 C ATOM 615 OE1 GLU A 38 1.781 7.925 6.398 1.00 0.00 O ATOM 616 OE2 GLU A 38 0.240 8.067 4.897 1.00 0.00 O ATOM 0 H GLU A 38 3.648 4.300 5.366 1.00 0.00 H new ATOM 0 HA GLU A 38 1.630 3.149 7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.588 5.227 7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.260 5.734 7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.897 5.708 4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.186 5.556 4.931 1.00 0.00 H new ATOM 623 N GLU A 39 -0.094 2.707 5.404 1.00 0.00 N ATOM 624 CA GLU A 39 -0.937 2.154 4.343 1.00 0.00 C ATOM 625 C GLU A 39 -1.619 3.268 3.559 1.00 0.00 C ATOM 626 O GLU A 39 -2.086 3.064 2.438 1.00 0.00 O ATOM 627 CB GLU A 39 -2.005 1.215 4.928 1.00 0.00 C ATOM 628 CG GLU A 39 -2.668 1.846 6.158 1.00 0.00 C ATOM 629 CD GLU A 39 -3.378 3.139 5.771 1.00 0.00 C ATOM 630 OE1 GLU A 39 -4.048 3.141 4.751 1.00 0.00 O ATOM 631 OE2 GLU A 39 -3.241 4.108 6.498 1.00 0.00 O ATOM 0 H GLU A 39 -0.505 2.660 6.336 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.293 1.587 3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.760 1.000 4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.549 0.264 5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.382 1.147 6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.916 2.050 6.920 1.00 0.00 H new ATOM 638 N SER A 40 -1.702 4.434 4.179 1.00 0.00 N ATOM 639 CA SER A 40 -2.365 5.581 3.560 1.00 0.00 C ATOM 640 C SER A 40 -1.492 6.259 2.504 1.00 0.00 C ATOM 641 O SER A 40 -1.939 7.192 1.839 1.00 0.00 O ATOM 642 CB SER A 40 -2.753 6.600 4.634 1.00 0.00 C ATOM 643 OG SER A 40 -1.661 6.792 5.522 1.00 0.00 O ATOM 0 H SER A 40 -1.321 4.616 5.108 1.00 0.00 H new ATOM 0 HA SER A 40 -3.256 5.205 3.058 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.028 7.547 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.626 6.249 5.185 1.00 0.00 H new ATOM 0 HG SER A 40 -1.276 7.682 5.379 1.00 0.00 H new ATOM 649 N GLN A 41 -0.258 5.790 2.338 1.00 0.00 N ATOM 650 CA GLN A 41 0.638 6.374 1.340 1.00 0.00 C ATOM 651 C GLN A 41 1.065 5.301 0.352 1.00 0.00 C ATOM 652 O GLN A 41 1.353 5.578 -0.813 1.00 0.00 O ATOM 653 CB GLN A 41 1.867 6.979 2.027 1.00 0.00 C ATOM 654 CG GLN A 41 2.946 5.909 2.169 1.00 0.00 C ATOM 655 CD GLN A 41 4.009 6.360 3.161 1.00 0.00 C ATOM 656 OE1 GLN A 41 4.745 5.536 3.702 1.00 0.00 O ATOM 657 NE2 GLN A 41 4.133 7.628 3.435 1.00 0.00 N ATOM 0 H GLN A 41 0.142 5.018 2.872 1.00 0.00 H new ATOM 0 HA GLN A 41 0.114 7.166 0.805 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.246 7.819 1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.594 7.369 3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.498 4.974 2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.403 5.713 1.199 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.521 8.309 2.985 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.842 7.939 4.099 1.00 0.00 H new ATOM 666 N ILE A 42 1.111 4.077 0.847 1.00 0.00 N ATOM 667 CA ILE A 42 1.508 2.936 0.055 1.00 0.00 C ATOM 668 C ILE A 42 0.522 2.672 -1.078 1.00 0.00 C ATOM 669 O ILE A 42 -0.685 2.867 -0.936 1.00 0.00 O ATOM 670 CB ILE A 42 1.603 1.725 0.992 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.068 1.418 1.282 1.00 0.00 C ATOM 672 CG2 ILE A 42 0.932 0.498 0.379 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.152 0.507 2.500 1.00 0.00 C ATOM 0 H ILE A 42 0.873 3.850 1.812 1.00 0.00 H new ATOM 0 HA ILE A 42 2.473 3.130 -0.412 1.00 0.00 H new ATOM 0 HB ILE A 42 1.085 1.968 1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.530 0.937 0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.617 2.342 1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.016 -0.344 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.121 0.713 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.421 0.248 -0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.197 0.282 2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.704 1.006 3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.615 -0.420 2.299 1.00 0.00 H new ATOM 685 N LYS A 43 1.062 2.202 -2.193 1.00 0.00 N ATOM 686 CA LYS A 43 0.261 1.872 -3.364 1.00 0.00 C ATOM 687 C LYS A 43 0.557 0.437 -3.784 1.00 0.00 C ATOM 688 O LYS A 43 1.703 0.093 -4.070 1.00 0.00 O ATOM 689 CB LYS A 43 0.590 2.827 -4.517 1.00 0.00 C ATOM 690 CG LYS A 43 0.390 4.284 -4.066 1.00 0.00 C ATOM 691 CD LYS A 43 -0.614 4.981 -4.990 1.00 0.00 C ATOM 692 CE LYS A 43 -0.778 6.440 -4.559 1.00 0.00 C ATOM 693 NZ LYS A 43 0.411 7.224 -4.999 1.00 0.00 N ATOM 0 H LYS A 43 2.062 2.039 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.796 1.973 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.619 2.676 -4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.050 2.611 -5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.030 4.310 -3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.343 4.814 -4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.268 4.933 -6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.576 4.469 -4.952 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.685 6.859 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.887 6.501 -3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.975 7.495 -4.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.992 6.644 -5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.097 8.081 -5.498 1.00 0.00 H new ATOM 707 N LEU A 44 -0.473 -0.403 -3.796 1.00 0.00 N ATOM 708 CA LEU A 44 -0.291 -1.805 -4.161 1.00 0.00 C ATOM 709 C LEU A 44 -0.596 -2.026 -5.641 1.00 0.00 C ATOM 710 O LEU A 44 -1.750 -1.968 -6.067 1.00 0.00 O ATOM 711 CB LEU A 44 -1.206 -2.686 -3.296 1.00 0.00 C ATOM 712 CG LEU A 44 -0.362 -3.548 -2.347 1.00 0.00 C ATOM 713 CD1 LEU A 44 0.527 -4.496 -3.168 1.00 0.00 C ATOM 714 CD2 LEU A 44 0.510 -2.643 -1.456 1.00 0.00 C ATOM 0 H LEU A 44 -1.431 -0.143 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 44 0.749 -2.079 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.889 -2.061 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.818 -3.325 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.021 -4.138 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.126 -5.108 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.100 -5.141 -3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.186 -3.912 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.107 -3.260 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.171 -2.044 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.130 -1.984 -0.870 1.00 0.00 H new ATOM 726 N ILE A 45 0.459 -2.264 -6.419 1.00 0.00 N ATOM 727 CA ILE A 45 0.323 -2.476 -7.853 1.00 0.00 C ATOM 728 C ILE A 45 0.327 -3.962 -8.180 1.00 0.00 C ATOM 729 O ILE A 45 1.288 -4.673 -7.887 1.00 0.00 O ATOM 730 CB ILE A 45 1.498 -1.821 -8.586 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.534 -0.292 -8.383 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.388 -2.122 -10.082 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.691 0.150 -7.193 1.00 0.00 C ATOM 0 H ILE A 45 1.418 -2.314 -6.076 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.621 -2.035 -8.172 1.00 0.00 H new ATOM 0 HB ILE A 45 2.417 -2.234 -8.171 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.565 0.029 -8.235 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.173 0.201 -9.285 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.222 -1.658 -10.609 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.414 -3.200 -10.239 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.449 -1.722 -10.465 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.747 1.234 -7.090 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.346 -0.146 -7.352 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.068 -0.321 -6.285 1.00 0.00 H new ATOM 745 N TYR A 46 -0.746 -4.416 -8.816 1.00 0.00 N ATOM 746 CA TYR A 46 -0.861 -5.811 -9.217 1.00 0.00 C ATOM 747 C TYR A 46 -0.813 -5.895 -10.734 1.00 0.00 C ATOM 748 O TYR A 46 -1.757 -5.498 -11.418 1.00 0.00 O ATOM 749 CB TYR A 46 -2.178 -6.396 -8.703 1.00 0.00 C ATOM 750 CG TYR A 46 -2.281 -7.855 -9.085 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.390 -8.789 -8.542 1.00 0.00 C ATOM 752 CD2 TYR A 46 -3.276 -8.276 -9.978 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.493 -10.142 -8.890 1.00 0.00 C ATOM 754 CE2 TYR A 46 -3.378 -9.628 -10.326 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.487 -10.561 -9.782 1.00 0.00 C ATOM 756 OH TYR A 46 -2.590 -11.893 -10.126 1.00 0.00 O ATOM 0 H TYR A 46 -1.549 -3.838 -9.065 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.036 -6.383 -8.792 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.234 -6.291 -7.620 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.019 -5.842 -9.121 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.623 -8.466 -7.854 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.964 -7.557 -10.398 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.806 -10.862 -8.470 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.144 -9.952 -11.015 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.333 -12.012 -10.754 1.00 0.00 H new ATOM 766 N SER A 47 0.297 -6.397 -11.253 1.00 0.00 N ATOM 767 CA SER A 47 0.467 -6.508 -12.692 1.00 0.00 C ATOM 768 C SER A 47 0.301 -5.147 -13.358 1.00 0.00 C ATOM 769 O SER A 47 -0.230 -5.049 -14.465 1.00 0.00 O ATOM 770 CB SER A 47 -0.549 -7.494 -13.269 1.00 0.00 C ATOM 771 OG SER A 47 -0.314 -7.650 -14.663 1.00 0.00 O ATOM 0 H SER A 47 1.088 -6.732 -10.703 1.00 0.00 H new ATOM 0 HA SER A 47 1.474 -6.875 -12.891 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.466 -8.457 -12.765 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.563 -7.131 -13.098 1.00 0.00 H new ATOM 0 HG SER A 47 -0.299 -6.769 -15.093 1.00 0.00 H new ATOM 777 N GLY A 48 0.762 -4.098 -12.680 1.00 0.00 N ATOM 778 CA GLY A 48 0.657 -2.750 -13.228 1.00 0.00 C ATOM 779 C GLY A 48 -0.735 -2.176 -13.002 1.00 0.00 C ATOM 780 O GLY A 48 -1.216 -1.366 -13.795 1.00 0.00 O ATOM 0 H GLY A 48 1.206 -4.154 -11.763 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.401 -2.105 -12.761 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.877 -2.769 -14.295 1.00 0.00 H new ATOM 784 N LYS A 49 -1.383 -2.604 -11.921 1.00 0.00 N ATOM 785 CA LYS A 49 -2.730 -2.124 -11.611 1.00 0.00 C ATOM 786 C LYS A 49 -2.809 -1.639 -10.170 1.00 0.00 C ATOM 787 O LYS A 49 -2.544 -2.393 -9.236 1.00 0.00 O ATOM 788 CB LYS A 49 -3.744 -3.250 -11.834 1.00 0.00 C ATOM 789 CG LYS A 49 -5.177 -2.702 -11.738 1.00 0.00 C ATOM 790 CD LYS A 49 -5.555 -1.936 -13.015 1.00 0.00 C ATOM 791 CE LYS A 49 -5.441 -2.852 -14.240 1.00 0.00 C ATOM 792 NZ LYS A 49 -6.462 -2.454 -15.251 1.00 0.00 N ATOM 0 H LYS A 49 -1.004 -3.274 -11.252 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.962 -1.289 -12.272 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.585 -3.703 -12.812 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.596 -4.034 -11.091 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.876 -3.524 -11.581 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.262 -2.042 -10.874 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.573 -1.555 -12.931 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.901 -1.073 -13.136 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.441 -2.782 -14.669 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.589 -3.891 -13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.387 -3.074 -16.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.412 -2.543 -14.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.300 -1.468 -15.538 1.00 0.00 H new ATOM 806 N VAL A 50 -3.180 -0.377 -10.001 1.00 0.00 N ATOM 807 CA VAL A 50 -3.291 0.204 -8.670 1.00 0.00 C ATOM 808 C VAL A 50 -4.454 -0.418 -7.900 1.00 0.00 C ATOM 809 O VAL A 50 -5.575 0.090 -7.938 1.00 0.00 O ATOM 810 CB VAL A 50 -3.502 1.714 -8.779 1.00 0.00 C ATOM 811 CG1 VAL A 50 -3.292 2.359 -7.408 1.00 0.00 C ATOM 812 CG2 VAL A 50 -2.499 2.298 -9.776 1.00 0.00 C ATOM 0 H VAL A 50 -3.408 0.261 -10.764 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.366 -0.000 -8.130 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.516 1.915 -9.123 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.442 3.436 -7.486 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.006 1.943 -6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.278 2.158 -7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.649 3.375 -9.854 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.485 2.097 -9.432 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.648 1.839 -10.753 1.00 0.00 H new ATOM 822 N LEU A 51 -4.183 -1.516 -7.199 1.00 0.00 N ATOM 823 CA LEU A 51 -5.216 -2.188 -6.423 1.00 0.00 C ATOM 824 C LEU A 51 -5.947 -1.194 -5.533 1.00 0.00 C ATOM 825 O LEU A 51 -5.538 -0.041 -5.400 1.00 0.00 O ATOM 826 CB LEU A 51 -4.598 -3.275 -5.542 1.00 0.00 C ATOM 827 CG LEU A 51 -4.050 -4.420 -6.403 1.00 0.00 C ATOM 828 CD1 LEU A 51 -3.375 -5.458 -5.492 1.00 0.00 C ATOM 829 CD2 LEU A 51 -5.198 -5.082 -7.182 1.00 0.00 C ATOM 0 H LEU A 51 -3.263 -1.955 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.921 -2.638 -7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.796 -2.850 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.347 -3.659 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.322 -4.026 -7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.983 -6.275 -6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.557 -4.987 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.105 -5.850 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.803 -5.894 -7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.932 -5.479 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.674 -4.343 -7.827 1.00 0.00 H new ATOM 841 N GLN A 52 -7.026 -1.662 -4.919 1.00 0.00 N ATOM 842 CA GLN A 52 -7.820 -0.822 -4.026 1.00 0.00 C ATOM 843 C GLN A 52 -7.828 -1.410 -2.618 1.00 0.00 C ATOM 844 O GLN A 52 -7.382 -2.537 -2.402 1.00 0.00 O ATOM 845 CB GLN A 52 -9.261 -0.699 -4.544 1.00 0.00 C ATOM 846 CG GLN A 52 -9.291 -0.945 -6.053 1.00 0.00 C ATOM 847 CD GLN A 52 -8.363 0.036 -6.762 1.00 0.00 C ATOM 848 OE1 GLN A 52 -7.968 1.048 -6.182 1.00 0.00 O ATOM 849 NE2 GLN A 52 -7.988 -0.204 -7.988 1.00 0.00 N ATOM 0 H GLN A 52 -7.372 -2.616 -5.021 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.370 0.170 -3.997 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.903 -1.419 -4.036 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.655 0.292 -4.320 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.984 -1.969 -6.269 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.308 -0.831 -6.428 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.316 -1.043 -8.467 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.367 0.447 -8.468 1.00 0.00 H new ATOM 858 N ASP A 53 -8.331 -0.636 -1.668 1.00 0.00 N ATOM 859 CA ASP A 53 -8.391 -1.072 -0.278 1.00 0.00 C ATOM 860 C ASP A 53 -9.589 -1.986 -0.037 1.00 0.00 C ATOM 861 O ASP A 53 -9.705 -2.607 1.019 1.00 0.00 O ATOM 862 CB ASP A 53 -8.515 0.148 0.629 1.00 0.00 C ATOM 863 CG ASP A 53 -7.296 1.050 0.461 1.00 0.00 C ATOM 864 OD1 ASP A 53 -6.579 0.869 -0.509 1.00 0.00 O ATOM 865 OD2 ASP A 53 -7.098 1.907 1.305 1.00 0.00 O ATOM 0 H ASP A 53 -8.704 0.299 -1.833 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.478 -1.625 -0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.423 0.701 0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.603 -0.169 1.668 1.00 0.00 H new ATOM 870 N SER A 54 -10.492 -2.036 -1.007 1.00 0.00 N ATOM 871 CA SER A 54 -11.702 -2.849 -0.876 1.00 0.00 C ATOM 872 C SER A 54 -11.598 -4.179 -1.621 1.00 0.00 C ATOM 873 O SER A 54 -12.603 -4.870 -1.790 1.00 0.00 O ATOM 874 CB SER A 54 -12.902 -2.067 -1.411 1.00 0.00 C ATOM 875 OG SER A 54 -12.751 -1.877 -2.812 1.00 0.00 O ATOM 0 H SER A 54 -10.414 -1.529 -1.888 1.00 0.00 H new ATOM 0 HA SER A 54 -11.828 -3.074 0.183 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.825 -2.608 -1.203 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.977 -1.103 -0.907 1.00 0.00 H new ATOM 0 HG SER A 54 -13.519 -1.377 -3.159 1.00 0.00 H new ATOM 881 N LYS A 55 -10.398 -4.549 -2.067 1.00 0.00 N ATOM 882 CA LYS A 55 -10.231 -5.810 -2.785 1.00 0.00 C ATOM 883 C LYS A 55 -9.591 -6.863 -1.891 1.00 0.00 C ATOM 884 O LYS A 55 -8.746 -6.550 -1.053 1.00 0.00 O ATOM 885 CB LYS A 55 -9.344 -5.611 -4.016 1.00 0.00 C ATOM 886 CG LYS A 55 -9.878 -4.462 -4.877 1.00 0.00 C ATOM 887 CD LYS A 55 -11.027 -4.950 -5.772 1.00 0.00 C ATOM 888 CE LYS A 55 -12.028 -3.812 -5.993 1.00 0.00 C ATOM 889 NZ LYS A 55 -13.121 -4.280 -6.891 1.00 0.00 N ATOM 0 H LYS A 55 -9.543 -4.005 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.221 -6.147 -3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.322 -5.396 -3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.313 -6.529 -4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.227 -3.652 -4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.075 -4.058 -5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.635 -5.293 -6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.526 -5.801 -5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.441 -3.486 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.525 -2.951 -6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.801 -3.508 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.719 -4.570 -7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.607 -5.089 -6.454 1.00 0.00 H new ATOM 903 N THR A 56 -9.982 -8.117 -2.088 1.00 0.00 N ATOM 904 CA THR A 56 -9.414 -9.210 -1.311 1.00 0.00 C ATOM 905 C THR A 56 -8.430 -9.991 -2.165 1.00 0.00 C ATOM 906 O THR A 56 -8.615 -10.135 -3.372 1.00 0.00 O ATOM 907 CB THR A 56 -10.508 -10.143 -0.792 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.352 -10.538 -1.864 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.327 -9.422 0.272 1.00 0.00 C ATOM 0 H THR A 56 -10.683 -8.400 -2.773 1.00 0.00 H new ATOM 0 HA THR A 56 -8.894 -8.785 -0.452 1.00 0.00 H new ATOM 0 HB THR A 56 -10.050 -11.030 -0.356 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.050 -11.137 -1.527 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.107 -10.087 0.643 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.676 -9.131 1.097 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.784 -8.532 -0.161 1.00 0.00 H new ATOM 917 N VAL A 57 -7.381 -10.489 -1.532 1.00 0.00 N ATOM 918 CA VAL A 57 -6.368 -11.253 -2.257 1.00 0.00 C ATOM 919 C VAL A 57 -7.044 -12.226 -3.212 1.00 0.00 C ATOM 920 O VAL A 57 -6.500 -12.570 -4.262 1.00 0.00 O ATOM 921 CB VAL A 57 -5.475 -12.017 -1.266 1.00 0.00 C ATOM 922 CG1 VAL A 57 -5.044 -13.366 -1.859 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.227 -11.181 -0.958 1.00 0.00 C ATOM 0 H VAL A 57 -7.206 -10.383 -0.533 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.745 -10.567 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.041 -12.197 -0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.413 -13.893 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.927 -13.967 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.486 -13.197 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.592 -11.721 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.675 -10.998 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.526 -10.229 -0.520 1.00 0.00 H new ATOM 933 N SER A 58 -8.231 -12.663 -2.833 1.00 0.00 N ATOM 934 CA SER A 58 -8.985 -13.598 -3.649 1.00 0.00 C ATOM 935 C SER A 58 -9.457 -12.928 -4.931 1.00 0.00 C ATOM 936 O SER A 58 -9.442 -13.536 -6.001 1.00 0.00 O ATOM 937 CB SER A 58 -10.187 -14.106 -2.861 1.00 0.00 C ATOM 938 OG SER A 58 -10.777 -15.199 -3.553 1.00 0.00 O ATOM 0 H SER A 58 -8.693 -12.386 -1.967 1.00 0.00 H new ATOM 0 HA SER A 58 -8.339 -14.435 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.877 -14.417 -1.864 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.916 -13.306 -2.733 1.00 0.00 H new ATOM 0 HG SER A 58 -11.549 -15.528 -3.047 1.00 0.00 H new ATOM 944 N GLU A 59 -9.879 -11.672 -4.819 1.00 0.00 N ATOM 945 CA GLU A 59 -10.355 -10.938 -5.981 1.00 0.00 C ATOM 946 C GLU A 59 -9.185 -10.289 -6.721 1.00 0.00 C ATOM 947 O GLU A 59 -9.209 -10.163 -7.945 1.00 0.00 O ATOM 948 CB GLU A 59 -11.390 -9.894 -5.539 1.00 0.00 C ATOM 949 CG GLU A 59 -10.714 -8.552 -5.252 1.00 0.00 C ATOM 950 CD GLU A 59 -10.479 -7.797 -6.557 1.00 0.00 C ATOM 951 OE1 GLU A 59 -11.419 -7.675 -7.324 1.00 0.00 O ATOM 952 OE2 GLU A 59 -9.362 -7.352 -6.769 1.00 0.00 O ATOM 0 H GLU A 59 -9.900 -11.148 -3.944 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.836 -11.628 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.143 -9.769 -6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.909 -10.244 -4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.337 -7.957 -4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.765 -8.715 -4.741 1.00 0.00 H new ATOM 959 N CYS A 60 -8.160 -9.881 -5.973 1.00 0.00 N ATOM 960 CA CYS A 60 -6.992 -9.255 -6.582 1.00 0.00 C ATOM 961 C CYS A 60 -6.294 -10.235 -7.521 1.00 0.00 C ATOM 962 O CYS A 60 -5.612 -9.829 -8.462 1.00 0.00 O ATOM 963 CB CYS A 60 -6.019 -8.797 -5.494 1.00 0.00 C ATOM 964 SG CYS A 60 -6.956 -8.134 -4.094 1.00 0.00 S ATOM 0 H CYS A 60 -8.116 -9.972 -4.958 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.320 -8.390 -7.158 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.400 -9.633 -5.169 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.346 -8.036 -5.889 1.00 0.00 H new ATOM 0 HG CYS A 60 -8.005 -8.873 -3.885 1.00 0.00 H new ATOM 970 N GLY A 61 -6.481 -11.528 -7.266 1.00 0.00 N ATOM 971 CA GLY A 61 -5.879 -12.561 -8.105 1.00 0.00 C ATOM 972 C GLY A 61 -4.563 -13.066 -7.519 1.00 0.00 C ATOM 973 O GLY A 61 -3.886 -13.895 -8.126 1.00 0.00 O ATOM 0 H GLY A 61 -7.041 -11.884 -6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.574 -13.394 -8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.704 -12.162 -9.104 1.00 0.00 H new ATOM 977 N LEU A 62 -4.201 -12.568 -6.341 1.00 0.00 N ATOM 978 CA LEU A 62 -2.964 -12.989 -5.705 1.00 0.00 C ATOM 979 C LEU A 62 -3.061 -14.434 -5.244 1.00 0.00 C ATOM 980 O LEU A 62 -4.075 -14.855 -4.686 1.00 0.00 O ATOM 981 CB LEU A 62 -2.655 -12.087 -4.512 1.00 0.00 C ATOM 982 CG LEU A 62 -2.204 -10.722 -5.019 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.457 -9.665 -3.941 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.709 -10.762 -5.370 1.00 0.00 C ATOM 0 H LEU A 62 -4.741 -11.881 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.159 -12.909 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.539 -11.981 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.876 -12.534 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.771 -10.466 -5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.134 -8.690 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.521 -9.631 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.896 -9.921 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.394 -9.783 -5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.134 -11.023 -4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.537 -11.508 -6.146 1.00 0.00 H new ATOM 996 N LYS A 63 -1.996 -15.183 -5.484 1.00 0.00 N ATOM 997 CA LYS A 63 -1.950 -16.588 -5.094 1.00 0.00 C ATOM 998 C LYS A 63 -0.775 -16.841 -4.152 1.00 0.00 C ATOM 999 O LYS A 63 -0.266 -15.913 -3.524 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.853 -17.477 -6.341 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.656 -17.056 -7.199 1.00 0.00 C ATOM 1002 CD LYS A 63 0.635 -17.639 -6.617 1.00 0.00 C ATOM 1003 CE LYS A 63 1.704 -17.714 -7.709 1.00 0.00 C ATOM 1004 NZ LYS A 63 3.041 -17.920 -7.082 1.00 0.00 N ATOM 0 H LYS A 63 -1.152 -14.844 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.869 -16.838 -4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.748 -18.521 -6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.772 -17.401 -6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.792 -17.403 -8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.589 -15.969 -7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.986 -17.019 -5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.446 -18.633 -6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.482 -18.532 -8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.704 -16.796 -8.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.617 -17.063 -7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.922 -18.117 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.518 -18.724 -7.537 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.359 -18.097 -4.046 1.00 0.00 N ATOM 1019 CA ASP A 64 0.744 -18.457 -3.161 1.00 0.00 C ATOM 1020 C ASP A 64 2.096 -18.229 -3.828 1.00 0.00 C ATOM 1021 O ASP A 64 2.366 -18.747 -4.911 1.00 0.00 O ATOM 1022 CB ASP A 64 0.621 -19.925 -2.752 1.00 0.00 C ATOM 1023 CG ASP A 64 0.637 -20.814 -3.990 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -0.370 -20.856 -4.678 1.00 0.00 O ATOM 1025 OD2 ASP A 64 1.655 -21.440 -4.233 1.00 0.00 O ATOM 0 H ASP A 64 -0.765 -18.880 -4.558 1.00 0.00 H new ATOM 0 HA ASP A 64 0.687 -17.817 -2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.442 -20.196 -2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.303 -20.080 -2.195 1.00 0.00 H new ATOM 1030 N GLY A 65 2.950 -17.472 -3.148 1.00 0.00 N ATOM 1031 CA GLY A 65 4.295 -17.199 -3.655 1.00 0.00 C ATOM 1032 C GLY A 65 4.313 -16.158 -4.779 1.00 0.00 C ATOM 1033 O GLY A 65 5.362 -15.911 -5.373 1.00 0.00 O ATOM 0 H GLY A 65 2.739 -17.038 -2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.922 -16.850 -2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.735 -18.127 -4.020 1.00 0.00 H new ATOM 1037 N ASP A 66 3.166 -15.552 -5.083 1.00 0.00 N ATOM 1038 CA ASP A 66 3.120 -14.555 -6.152 1.00 0.00 C ATOM 1039 C ASP A 66 3.982 -13.342 -5.802 1.00 0.00 C ATOM 1040 O ASP A 66 4.684 -13.332 -4.789 1.00 0.00 O ATOM 1041 CB ASP A 66 1.672 -14.100 -6.407 1.00 0.00 C ATOM 1042 CG ASP A 66 1.393 -14.014 -7.907 1.00 0.00 C ATOM 1043 OD1 ASP A 66 2.343 -13.866 -8.659 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.235 -14.091 -8.280 1.00 0.00 O ATOM 0 H ASP A 66 2.276 -15.728 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 66 3.513 -15.019 -7.056 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.978 -14.800 -5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.503 -13.128 -5.944 1.00 0.00 H new ATOM 1049 N GLN A 67 3.909 -12.318 -6.646 1.00 0.00 N ATOM 1050 CA GLN A 67 4.668 -11.088 -6.431 1.00 0.00 C ATOM 1051 C GLN A 67 3.752 -9.887 -6.620 1.00 0.00 C ATOM 1052 O GLN A 67 2.915 -9.879 -7.523 1.00 0.00 O ATOM 1053 CB GLN A 67 5.833 -11.007 -7.421 1.00 0.00 C ATOM 1054 CG GLN A 67 6.633 -12.311 -7.381 1.00 0.00 C ATOM 1055 CD GLN A 67 7.712 -12.293 -8.460 1.00 0.00 C ATOM 1056 OE1 GLN A 67 7.401 -12.287 -9.650 1.00 0.00 O ATOM 1057 NE2 GLN A 67 8.969 -12.284 -8.111 1.00 0.00 N ATOM 0 H GLN A 67 3.332 -12.314 -7.487 1.00 0.00 H new ATOM 0 HA GLN A 67 5.066 -11.088 -5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.456 -10.831 -8.428 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.478 -10.165 -7.171 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.090 -12.437 -6.400 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.968 -13.161 -7.534 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.224 -12.289 -7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.697 -12.272 -8.826 1.00 0.00 H new ATOM 1066 N VAL A 68 3.891 -8.881 -5.759 1.00 0.00 N ATOM 1067 CA VAL A 68 3.042 -7.702 -5.847 1.00 0.00 C ATOM 1068 C VAL A 68 3.881 -6.433 -5.934 1.00 0.00 C ATOM 1069 O VAL A 68 4.596 -6.086 -4.997 1.00 0.00 O ATOM 1070 CB VAL A 68 2.134 -7.636 -4.609 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.699 -7.300 -5.028 1.00 0.00 C ATOM 1072 CG2 VAL A 68 2.145 -8.989 -3.890 1.00 0.00 C ATOM 0 H VAL A 68 4.575 -8.860 -5.003 1.00 0.00 H new ATOM 0 HA VAL A 68 2.436 -7.775 -6.750 1.00 0.00 H new ATOM 0 HB VAL A 68 2.506 -6.860 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.063 -7.255 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.684 -6.335 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.327 -8.070 -5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.500 -8.940 -3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.780 -9.763 -4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.162 -9.228 -3.580 1.00 0.00 H new ATOM 1082 N VAL A 69 3.775 -5.731 -7.053 1.00 0.00 N ATOM 1083 CA VAL A 69 4.514 -4.496 -7.223 1.00 0.00 C ATOM 1084 C VAL A 69 3.881 -3.416 -6.365 1.00 0.00 C ATOM 1085 O VAL A 69 2.662 -3.365 -6.231 1.00 0.00 O ATOM 1086 CB VAL A 69 4.503 -4.071 -8.693 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.301 -2.776 -8.858 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.139 -5.173 -9.544 1.00 0.00 C ATOM 0 H VAL A 69 3.191 -5.994 -7.846 1.00 0.00 H new ATOM 0 HA VAL A 69 5.549 -4.648 -6.915 1.00 0.00 H new ATOM 0 HB VAL A 69 3.475 -3.906 -9.016 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.292 -2.474 -9.905 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.850 -1.991 -8.251 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.329 -2.939 -8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.133 -4.873 -10.592 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.167 -5.336 -9.220 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.571 -6.096 -9.427 1.00 0.00 H new ATOM 1098 N PHE A 70 4.705 -2.569 -5.770 1.00 0.00 N ATOM 1099 CA PHE A 70 4.188 -1.504 -4.914 1.00 0.00 C ATOM 1100 C PHE A 70 5.154 -0.324 -4.843 1.00 0.00 C ATOM 1101 O PHE A 70 6.271 -0.388 -5.355 1.00 0.00 O ATOM 1102 CB PHE A 70 3.932 -2.052 -3.504 1.00 0.00 C ATOM 1103 CG PHE A 70 5.204 -1.987 -2.693 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.237 -2.901 -2.933 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.352 -1.009 -1.704 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.416 -2.837 -2.183 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.530 -0.943 -0.956 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.563 -1.857 -1.194 1.00 0.00 C ATOM 0 H PHE A 70 5.721 -2.593 -5.859 1.00 0.00 H new ATOM 0 HA PHE A 70 3.253 -1.147 -5.347 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.148 -1.473 -3.015 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.579 -3.082 -3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.124 -3.656 -3.697 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.555 -0.304 -1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.212 -3.543 -2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.644 -0.186 -0.194 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.473 -1.806 -0.615 1.00 0.00 H new ATOM 1118 N MET A 71 4.707 0.750 -4.195 1.00 0.00 N ATOM 1119 CA MET A 71 5.525 1.952 -4.045 1.00 0.00 C ATOM 1120 C MET A 71 5.010 2.798 -2.880 1.00 0.00 C ATOM 1121 O MET A 71 3.804 2.885 -2.654 1.00 0.00 O ATOM 1122 CB MET A 71 5.483 2.784 -5.332 1.00 0.00 C ATOM 1123 CG MET A 71 6.255 2.067 -6.443 1.00 0.00 C ATOM 1124 SD MET A 71 6.669 3.252 -7.749 1.00 0.00 S ATOM 1125 CE MET A 71 4.986 3.522 -8.355 1.00 0.00 C ATOM 0 H MET A 71 3.784 0.813 -3.766 1.00 0.00 H new ATOM 0 HA MET A 71 6.552 1.648 -3.845 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.449 2.942 -5.639 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.916 3.768 -5.153 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.164 1.621 -6.040 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.655 1.254 -6.851 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.024 4.011 -9.328 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.476 2.564 -8.450 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.443 4.154 -7.652 1.00 0.00 H new ATOM 1135 N VAL A 72 5.930 3.418 -2.142 1.00 0.00 N ATOM 1136 CA VAL A 72 5.549 4.252 -1.003 1.00 0.00 C ATOM 1137 C VAL A 72 5.604 5.731 -1.369 1.00 0.00 C ATOM 1138 O VAL A 72 6.568 6.197 -1.975 1.00 0.00 O ATOM 1139 CB VAL A 72 6.481 3.992 0.181 1.00 0.00 C ATOM 1140 CG1 VAL A 72 5.904 4.649 1.440 1.00 0.00 C ATOM 1141 CG2 VAL A 72 6.609 2.484 0.407 1.00 0.00 C ATOM 0 H VAL A 72 6.934 3.360 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 72 4.527 3.993 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 72 7.464 4.413 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.568 4.464 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.811 5.723 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.921 4.228 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.273 2.298 1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.626 2.063 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.019 2.016 -0.488 1.00 0.00 H new ATOM 1151 N SER A 73 4.562 6.464 -0.989 1.00 0.00 N ATOM 1152 CA SER A 73 4.498 7.896 -1.273 1.00 0.00 C ATOM 1153 C SER A 73 4.945 8.699 -0.055 1.00 0.00 C ATOM 1154 O SER A 73 5.049 8.162 1.049 1.00 0.00 O ATOM 1155 CB SER A 73 3.071 8.291 -1.649 1.00 0.00 C ATOM 1156 OG SER A 73 2.748 7.734 -2.916 1.00 0.00 O ATOM 0 H SER A 73 3.755 6.094 -0.487 1.00 0.00 H new ATOM 0 HA SER A 73 5.165 8.114 -2.107 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.371 7.934 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.979 9.377 -1.682 1.00 0.00 H new ATOM 0 HG SER A 73 2.259 6.894 -2.789 1.00 0.00 H new