USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 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 41 HIS :FLIP no HE2:sc= -0.197 F(o=-3.1,f=-0.22) USER MOD Set 1.2: A 44 LYS NZ :NH3+ -174:sc= -0.0243 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 31:sc= 0.37 USER MOD Single : A 7 GLN : amide:sc= -0.936 X(o=-0.94,f=-0.45) USER MOD Single : A 8 LYS NZ :NH3+ 155:sc= -0.319 (180deg=-1.21) USER MOD Single : A 14 THR OG1 : rot 94:sc= 1.31 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 76:sc= -0.677 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= -0.258 (180deg=-0.873) USER MOD Single : A 24 ASN : amide:sc= -1.88 K(o=-1.9,f=-8.1!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.271 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.948 F(o=-2.2,f=-0.95) USER MOD Single : A 34 HIS : no HD1:sc=-0.00798 X(o=-0.008,f=-0.07) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 49 SER OG : rot 30:sc= 0.353 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 63:sc= -0.773 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -9.911 -7.811 8.134 1.00 71.00 N ATOM 2 CA THR A 5 -8.790 -7.007 7.664 1.00 72.10 C ATOM 3 C THR A 5 -8.080 -7.690 6.499 1.00 11.20 C ATOM 4 O THR A 5 -7.696 -7.041 5.526 1.00 33.10 O ATOM 5 CB THR A 5 -7.800 -6.759 8.803 1.00 11.20 C ATOM 6 OG1 THR A 5 -8.486 -6.482 10.011 1.00 35.10 O ATOM 7 CG2 THR A 5 -6.857 -5.606 8.537 1.00 12.20 C ATOM 0 HA THR A 5 -9.182 -6.051 7.317 1.00 72.10 H new ATOM 0 HB THR A 5 -7.214 -7.675 8.881 1.00 11.20 H new ATOM 0 HG1 THR A 5 -9.345 -6.954 10.015 1.00 35.10 H new ATOM 0 HG21 THR A 5 -6.182 -5.485 9.384 1.00 12.20 H new ATOM 0 HG22 THR A 5 -6.277 -5.811 7.637 1.00 12.20 H new ATOM 0 HG23 THR A 5 -7.432 -4.691 8.397 1.00 12.20 H new ATOM 15 N LEU A 6 -7.910 -9.004 6.605 1.00 40.20 N ATOM 16 CA LEU A 6 -7.247 -9.776 5.560 1.00 5.12 C ATOM 17 C LEU A 6 -8.043 -9.726 4.260 1.00 44.50 C ATOM 18 O LEU A 6 -7.489 -9.468 3.191 1.00 73.00 O ATOM 19 CB LEU A 6 -7.067 -11.220 6.007 1.00 61.40 C ATOM 20 CG LEU A 6 -5.790 -11.500 6.801 1.00 3.22 C ATOM 21 CD1 LEU A 6 -4.565 -11.360 5.912 1.00 55.40 C ATOM 22 CD2 LEU A 6 -5.695 -10.570 7.999 1.00 24.20 C ATOM 0 H LEU A 6 -8.222 -9.556 7.404 1.00 40.20 H new ATOM 0 HA LEU A 6 -6.267 -9.335 5.380 1.00 5.12 H new ATOM 0 HB2 LEU A 6 -7.925 -11.505 6.616 1.00 61.40 H new ATOM 0 HB3 LEU A 6 -7.076 -11.861 5.125 1.00 61.40 H new ATOM 0 HG LEU A 6 -5.829 -12.526 7.166 1.00 3.22 H new ATOM 0 HD11 LEU A 6 -3.667 -11.563 6.495 1.00 55.40 H new ATOM 0 HD12 LEU A 6 -4.631 -12.070 5.088 1.00 55.40 H new ATOM 0 HD13 LEU A 6 -4.518 -10.346 5.515 1.00 55.40 H new ATOM 0 HD21 LEU A 6 -4.781 -10.783 8.553 1.00 24.20 H new ATOM 0 HD22 LEU A 6 -5.679 -9.535 7.656 1.00 24.20 H new ATOM 0 HD23 LEU A 6 -6.557 -10.724 8.648 1.00 24.20 H new ATOM 34 N GLN A 7 -9.344 -9.976 4.358 1.00 14.00 N ATOM 35 CA GLN A 7 -10.210 -9.960 3.190 1.00 3.13 C ATOM 36 C GLN A 7 -10.200 -8.588 2.524 1.00 62.50 C ATOM 37 O GLN A 7 -10.340 -8.478 1.306 1.00 30.10 O ATOM 38 CB GLN A 7 -11.640 -10.330 3.587 1.00 63.40 C ATOM 39 CG GLN A 7 -12.530 -10.690 2.405 1.00 4.35 C ATOM 40 CD GLN A 7 -11.950 -11.800 1.552 1.00 42.20 C ATOM 41 OE1 GLN A 7 -12.280 -12.970 1.734 1.00 44.00 O ATOM 42 NE2 GLN A 7 -11.080 -11.430 0.615 1.00 0.13 N ATOM 0 H GLN A 7 -9.820 -10.192 5.234 1.00 14.00 H new ATOM 0 HA GLN A 7 -9.832 -10.694 2.479 1.00 3.13 H new ATOM 0 HB2 GLN A 7 -11.609 -11.173 4.277 1.00 63.40 H new ATOM 0 HB3 GLN A 7 -12.086 -9.494 4.125 1.00 63.40 H new ATOM 0 HG2 GLN A 7 -13.510 -10.994 2.773 1.00 4.35 H new ATOM 0 HG3 GLN A 7 -12.682 -9.805 1.787 1.00 4.35 H new ATOM 0 HE21 GLN A 7 -10.839 -10.445 0.504 1.00 0.13 H new ATOM 0 HE22 GLN A 7 -10.655 -12.131 0.008 1.00 0.13 H new ATOM 51 N LYS A 8 -10.040 -7.545 3.331 1.00 3.13 N ATOM 52 CA LYS A 8 -10.020 -6.180 2.820 1.00 51.40 C ATOM 53 C LYS A 8 -8.634 -5.821 2.297 1.00 51.10 C ATOM 54 O LYS A 8 -8.499 -5.089 1.316 1.00 1.15 O ATOM 55 CB LYS A 8 -10.430 -5.195 3.915 1.00 20.30 C ATOM 56 CG LYS A 8 -11.940 -5.026 4.042 1.00 1.43 C ATOM 57 CD LYS A 8 -12.310 -3.602 4.425 1.00 70.30 C ATOM 58 CE LYS A 8 -12.280 -2.677 3.219 1.00 74.30 C ATOM 59 NZ LYS A 8 -13.090 -3.218 2.088 1.00 12.50 N ATOM 0 H LYS A 8 -9.922 -7.619 4.341 1.00 3.13 H new ATOM 0 HA LYS A 8 -10.733 -6.116 1.998 1.00 51.40 H new ATOM 0 HB2 LYS A 8 -10.028 -5.536 4.869 1.00 20.30 H new ATOM 0 HB3 LYS A 8 -9.979 -4.224 3.708 1.00 20.30 H new ATOM 0 HG2 LYS A 8 -12.417 -5.286 3.097 1.00 1.43 H new ATOM 0 HG3 LYS A 8 -12.323 -5.717 4.793 1.00 1.43 H new ATOM 0 HD2 LYS A 8 -13.305 -3.590 4.870 1.00 70.30 H new ATOM 0 HD3 LYS A 8 -11.618 -3.236 5.183 1.00 70.30 H new ATOM 0 HE2 LYS A 8 -12.661 -1.696 3.503 1.00 74.30 H new ATOM 0 HE3 LYS A 8 -11.249 -2.536 2.894 1.00 74.30 H new ATOM 0 HZ1 LYS A 8 -13.401 -2.435 1.478 1.00 12.50 H new ATOM 0 HZ2 LYS A 8 -12.512 -3.880 1.533 1.00 12.50 H new ATOM 0 HZ3 LYS A 8 -13.922 -3.716 2.464 1.00 12.50 H new ATOM 73 N ALA A 9 -7.604 -6.341 2.958 1.00 64.00 N ATOM 74 CA ALA A 9 -6.228 -6.075 2.559 1.00 74.10 C ATOM 75 C ALA A 9 -5.966 -6.558 1.136 1.00 13.20 C ATOM 76 O ALA A 9 -5.276 -5.894 0.362 1.00 22.40 O ATOM 77 CB ALA A 9 -5.261 -6.737 3.529 1.00 35.30 C ATOM 0 H ALA A 9 -7.697 -6.949 3.772 1.00 64.00 H new ATOM 0 HA ALA A 9 -6.070 -4.997 2.584 1.00 74.10 H new ATOM 0 HB1 ALA A 9 -4.237 -6.530 3.219 1.00 35.30 H new ATOM 0 HB2 ALA A 9 -5.424 -6.342 4.532 1.00 35.30 H new ATOM 0 HB3 ALA A 9 -5.429 -7.814 3.532 1.00 35.30 H new ATOM 83 N ILE A 10 -6.521 -7.717 0.799 1.00 30.00 N ATOM 84 CA ILE A 10 -6.347 -8.289 -0.531 1.00 11.50 C ATOM 85 C ILE A 10 -7.246 -7.595 -1.549 1.00 61.30 C ATOM 86 O ILE A 10 -6.814 -7.273 -2.656 1.00 74.40 O ATOM 87 CB ILE A 10 -6.653 -9.799 -0.539 1.00 34.30 C ATOM 88 CG1 ILE A 10 -5.917 -10.490 0.606 1.00 23.00 C ATOM 89 CG2 ILE A 10 -6.266 -10.410 -1.876 1.00 3.40 C ATOM 90 CD1 ILE A 10 -6.446 -11.880 0.909 1.00 23.40 C ATOM 0 H ILE A 10 -7.095 -8.279 1.428 1.00 30.00 H new ATOM 0 HA ILE A 10 -5.303 -8.136 -0.806 1.00 11.50 H new ATOM 0 HB ILE A 10 -7.724 -9.943 -0.397 1.00 34.30 H new ATOM 0 HG12 ILE A 10 -4.858 -10.558 0.359 1.00 23.00 H new ATOM 0 HG13 ILE A 10 -5.996 -9.875 1.503 1.00 23.00 H new ATOM 0 HG21 ILE A 10 -6.488 -11.477 -1.866 1.00 3.40 H new ATOM 0 HG22 ILE A 10 -6.832 -9.929 -2.673 1.00 3.40 H new ATOM 0 HG23 ILE A 10 -5.200 -10.263 -2.048 1.00 3.40 H new ATOM 0 HD11 ILE A 10 -5.879 -12.314 1.732 1.00 23.40 H new ATOM 0 HD12 ILE A 10 -7.498 -11.816 1.187 1.00 23.40 H new ATOM 0 HD13 ILE A 10 -6.342 -12.510 0.025 1.00 23.40 H new ATOM 102 N ASP A 11 -8.498 -7.368 -1.167 1.00 41.20 N ATOM 103 CA ASP A 11 -9.458 -6.711 -2.047 1.00 2.02 C ATOM 104 C ASP A 11 -8.980 -5.314 -2.429 1.00 42.40 C ATOM 105 O ASP A 11 -9.269 -4.826 -3.521 1.00 72.50 O ATOM 106 CB ASP A 11 -10.820 -6.626 -1.369 1.00 23.20 C ATOM 107 CG ASP A 11 -11.970 -6.792 -2.351 1.00 32.20 C ATOM 108 OD1 ASP A 11 -11.920 -7.741 -3.163 1.00 44.30 O ATOM 109 OD2 ASP A 11 -12.910 -5.974 -2.309 1.00 42.40 O ATOM 0 H ASP A 11 -8.872 -7.629 -0.255 1.00 41.20 H new ATOM 0 HA ASP A 11 -9.547 -7.305 -2.956 1.00 2.02 H new ATOM 0 HB2 ASP A 11 -10.889 -7.396 -0.600 1.00 23.20 H new ATOM 0 HB3 ASP A 11 -10.912 -5.664 -0.865 1.00 23.20 H new ATOM 114 N LEU A 12 -8.247 -4.676 -1.522 1.00 54.30 N ATOM 115 CA LEU A 12 -7.728 -3.335 -1.765 1.00 44.50 C ATOM 116 C LEU A 12 -6.602 -3.365 -2.793 1.00 12.20 C ATOM 117 O LEU A 12 -6.660 -2.678 -3.812 1.00 63.50 O ATOM 118 CB LEU A 12 -7.226 -2.716 -0.459 1.00 22.10 C ATOM 119 CG LEU A 12 -8.323 -2.244 0.497 1.00 43.30 C ATOM 120 CD1 LEU A 12 -7.829 -2.281 1.935 1.00 44.40 C ATOM 121 CD2 LEU A 12 -8.785 -0.843 0.126 1.00 61.40 C ATOM 0 H LEU A 12 -7.999 -5.066 -0.613 1.00 54.30 H new ATOM 0 HA LEU A 12 -8.540 -2.724 -2.160 1.00 44.50 H new ATOM 0 HB2 LEU A 12 -6.605 -3.448 0.057 1.00 22.10 H new ATOM 0 HB3 LEU A 12 -6.585 -1.868 -0.699 1.00 22.10 H new ATOM 0 HG LEU A 12 -9.173 -2.921 0.409 1.00 43.30 H new ATOM 0 HD11 LEU A 12 -8.622 -1.942 2.601 1.00 44.40 H new ATOM 0 HD12 LEU A 12 -7.547 -3.301 2.197 1.00 44.40 H new ATOM 0 HD13 LEU A 12 -6.963 -1.627 2.039 1.00 44.40 H new ATOM 0 HD21 LEU A 12 -9.566 -0.523 0.816 1.00 61.40 H new ATOM 0 HD22 LEU A 12 -7.942 -0.154 0.186 1.00 61.40 H new ATOM 0 HD23 LEU A 12 -9.179 -0.847 -0.890 1.00 61.40 H new ATOM 133 N VAL A 13 -5.577 -4.166 -2.518 1.00 22.50 N ATOM 134 CA VAL A 13 -4.438 -4.286 -3.418 1.00 61.30 C ATOM 135 C VAL A 13 -4.874 -4.782 -4.794 1.00 21.00 C ATOM 136 O VAL A 13 -4.350 -4.344 -5.818 1.00 4.31 O ATOM 137 CB VAL A 13 -3.371 -5.241 -2.848 1.00 72.30 C ATOM 138 CG1 VAL A 13 -3.937 -6.644 -2.685 1.00 72.40 C ATOM 139 CG2 VAL A 13 -2.136 -5.257 -3.736 1.00 70.40 C ATOM 0 H VAL A 13 -5.513 -4.741 -1.678 1.00 22.50 H new ATOM 0 HA VAL A 13 -4.005 -3.291 -3.517 1.00 61.30 H new ATOM 0 HB VAL A 13 -3.077 -4.877 -1.863 1.00 72.30 H new ATOM 0 HG11 VAL A 13 -3.168 -7.302 -2.281 1.00 72.40 H new ATOM 0 HG12 VAL A 13 -4.786 -6.617 -2.002 1.00 72.40 H new ATOM 0 HG13 VAL A 13 -4.264 -7.020 -3.655 1.00 72.40 H new ATOM 0 HG21 VAL A 13 -1.395 -5.937 -3.316 1.00 70.40 H new ATOM 0 HG22 VAL A 13 -2.411 -5.592 -4.736 1.00 70.40 H new ATOM 0 HG23 VAL A 13 -1.716 -4.253 -3.793 1.00 70.40 H new ATOM 149 N THR A 14 -5.837 -5.698 -4.809 1.00 12.40 N ATOM 150 CA THR A 14 -6.344 -6.254 -6.058 1.00 35.00 C ATOM 151 C THR A 14 -6.936 -5.158 -6.939 1.00 2.43 C ATOM 152 O THR A 14 -6.580 -5.029 -8.110 1.00 32.30 O ATOM 153 CB THR A 14 -7.400 -7.324 -5.774 1.00 60.00 C ATOM 154 OG1 THR A 14 -6.865 -8.352 -4.960 1.00 2.53 O ATOM 155 CG2 THR A 14 -7.950 -7.970 -7.027 1.00 31.10 C ATOM 0 H THR A 14 -6.282 -6.071 -3.970 1.00 12.40 H new ATOM 0 HA THR A 14 -5.509 -6.711 -6.589 1.00 35.00 H new ATOM 0 HB THR A 14 -8.212 -6.801 -5.268 1.00 60.00 H new ATOM 0 HG1 THR A 14 -7.060 -8.159 -4.019 1.00 2.53 H new ATOM 0 HG21 THR A 14 -8.694 -8.719 -6.754 1.00 31.10 H new ATOM 0 HG22 THR A 14 -8.414 -7.209 -7.655 1.00 31.10 H new ATOM 0 HG23 THR A 14 -7.139 -8.448 -7.576 1.00 31.10 H new ATOM 163 N LYS A 15 -7.842 -4.372 -6.367 1.00 23.30 N ATOM 164 CA LYS A 15 -8.484 -3.286 -7.100 1.00 52.20 C ATOM 165 C LYS A 15 -7.454 -2.263 -7.566 1.00 73.20 C ATOM 166 O LYS A 15 -7.608 -1.648 -8.622 1.00 33.40 O ATOM 167 CB LYS A 15 -9.538 -2.605 -6.225 1.00 74.40 C ATOM 168 CG LYS A 15 -10.900 -3.261 -6.300 1.00 52.10 C ATOM 169 CD LYS A 15 -12.020 -2.237 -6.170 1.00 2.30 C ATOM 170 CE LYS A 15 -13.340 -2.780 -6.697 1.00 61.40 C ATOM 171 NZ LYS A 15 -14.190 -3.320 -5.605 1.00 5.20 N ATOM 0 H LYS A 15 -8.148 -4.466 -5.399 1.00 23.30 H new ATOM 0 HA LYS A 15 -8.971 -3.711 -7.978 1.00 52.20 H new ATOM 0 HB2 LYS A 15 -9.198 -2.610 -5.190 1.00 74.40 H new ATOM 0 HB3 LYS A 15 -9.629 -1.561 -6.526 1.00 74.40 H new ATOM 0 HG2 LYS A 15 -10.998 -3.791 -7.247 1.00 52.10 H new ATOM 0 HG3 LYS A 15 -10.991 -4.004 -5.508 1.00 52.10 H new ATOM 0 HD2 LYS A 15 -12.135 -1.953 -5.124 1.00 2.30 H new ATOM 0 HD3 LYS A 15 -11.753 -1.333 -6.718 1.00 2.30 H new ATOM 0 HE2 LYS A 15 -13.877 -1.987 -7.217 1.00 61.40 H new ATOM 0 HE3 LYS A 15 -13.144 -3.565 -7.427 1.00 61.40 H new ATOM 0 HZ1 LYS A 15 -15.080 -3.680 -6.004 1.00 5.20 H new ATOM 0 HZ2 LYS A 15 -13.688 -4.094 -5.124 1.00 5.20 H new ATOM 0 HZ3 LYS A 15 -14.398 -2.565 -4.921 1.00 5.20 H new ATOM 185 N ALA A 16 -6.402 -2.085 -6.773 1.00 10.10 N ATOM 186 CA ALA A 16 -5.346 -1.137 -7.105 1.00 22.30 C ATOM 187 C ALA A 16 -4.556 -1.600 -8.323 1.00 11.50 C ATOM 188 O ALA A 16 -4.180 -0.795 -9.175 1.00 35.40 O ATOM 189 CB ALA A 16 -4.419 -0.943 -5.914 1.00 4.43 C ATOM 0 H ALA A 16 -6.259 -2.585 -5.896 1.00 10.10 H new ATOM 0 HA ALA A 16 -5.812 -0.182 -7.349 1.00 22.30 H new ATOM 0 HB1 ALA A 16 -3.635 -0.233 -6.175 1.00 4.43 H new ATOM 0 HB2 ALA A 16 -4.989 -0.559 -5.068 1.00 4.43 H new ATOM 0 HB3 ALA A 16 -3.968 -1.898 -5.644 1.00 4.43 H new ATOM 195 N THR A 17 -4.307 -2.904 -8.400 1.00 60.10 N ATOM 196 CA THR A 17 -3.562 -3.475 -9.515 1.00 75.30 C ATOM 197 C THR A 17 -4.274 -3.211 -10.830 1.00 3.43 C ATOM 198 O THR A 17 -3.645 -2.854 -11.830 1.00 72.20 O ATOM 199 CB THR A 17 -3.376 -4.980 -9.314 1.00 73.40 C ATOM 200 OG1 THR A 17 -3.497 -5.322 -7.945 1.00 2.15 O ATOM 201 CG2 THR A 17 -2.034 -5.487 -9.797 1.00 43.10 C ATOM 0 H THR A 17 -4.611 -3.584 -7.703 1.00 60.10 H new ATOM 0 HA THR A 17 -2.583 -2.998 -9.550 1.00 75.30 H new ATOM 0 HB THR A 17 -4.159 -5.450 -9.909 1.00 73.40 H new ATOM 0 HG1 THR A 17 -4.442 -5.310 -7.687 1.00 2.15 H new ATOM 0 HG21 THR A 17 -1.968 -6.561 -9.625 1.00 43.10 H new ATOM 0 HG22 THR A 17 -1.930 -5.283 -10.863 1.00 43.10 H new ATOM 0 HG23 THR A 17 -1.237 -4.982 -9.252 1.00 43.10 H new ATOM 209 N GLU A 18 -5.591 -3.388 -10.840 1.00 55.00 N ATOM 210 CA GLU A 18 -6.391 -3.169 -12.040 1.00 42.00 C ATOM 211 C GLU A 18 -6.294 -1.717 -12.490 1.00 20.20 C ATOM 212 O GLU A 18 -6.210 -1.436 -13.690 1.00 41.20 O ATOM 213 CB GLU A 18 -7.853 -3.536 -11.780 1.00 44.50 C ATOM 214 CG GLU A 18 -8.028 -4.820 -10.980 1.00 34.20 C ATOM 215 CD GLU A 18 -9.435 -5.376 -11.070 1.00 12.30 C ATOM 216 OE1 GLU A 18 -10.120 -5.083 -12.070 1.00 25.10 O ATOM 217 OE2 GLU A 18 -9.848 -6.104 -10.150 1.00 24.50 O ATOM 0 H GLU A 18 -6.129 -3.684 -10.026 1.00 55.00 H new ATOM 0 HA GLU A 18 -6.001 -3.809 -12.832 1.00 42.00 H new ATOM 0 HB2 GLU A 18 -8.335 -2.717 -11.246 1.00 44.50 H new ATOM 0 HB3 GLU A 18 -8.368 -3.640 -12.735 1.00 44.50 H new ATOM 0 HG2 GLU A 18 -7.322 -5.568 -11.341 1.00 34.20 H new ATOM 0 HG3 GLU A 18 -7.783 -4.629 -9.935 1.00 34.20 H new ATOM 224 N GLU A 19 -6.307 -0.799 -11.530 1.00 33.10 N ATOM 225 CA GLU A 19 -6.220 0.626 -11.830 1.00 44.10 C ATOM 226 C GLU A 19 -4.935 0.945 -12.590 1.00 20.40 C ATOM 227 O GLU A 19 -4.963 1.589 -13.640 1.00 32.40 O ATOM 228 CB GLU A 19 -6.285 1.447 -10.550 1.00 33.40 C ATOM 229 CG GLU A 19 -7.701 1.792 -10.120 1.00 1.54 C ATOM 230 CD GLU A 19 -8.589 0.569 -9.999 1.00 74.10 C ATOM 231 OE1 GLU A 19 -8.762 -0.141 -11.010 1.00 74.20 O ATOM 232 OE2 GLU A 19 -9.111 0.321 -8.891 1.00 75.40 O ATOM 0 H GLU A 19 -6.377 -1.016 -10.536 1.00 33.10 H new ATOM 0 HA GLU A 19 -7.070 0.888 -12.461 1.00 44.10 H new ATOM 0 HB2 GLU A 19 -5.795 0.894 -9.748 1.00 33.40 H new ATOM 0 HB3 GLU A 19 -5.722 2.370 -10.691 1.00 33.40 H new ATOM 0 HG2 GLU A 19 -7.669 2.310 -9.161 1.00 1.54 H new ATOM 0 HG3 GLU A 19 -8.137 2.483 -10.841 1.00 1.54 H new ATOM 239 N ASP A 20 -3.808 0.490 -12.050 1.00 65.00 N ATOM 240 CA ASP A 20 -2.511 0.727 -12.680 1.00 75.30 C ATOM 241 C ASP A 20 -2.485 0.186 -14.100 1.00 65.40 C ATOM 242 O ASP A 20 -1.788 0.718 -14.970 1.00 24.40 O ATOM 243 CB ASP A 20 -1.398 0.075 -11.850 1.00 2.42 C ATOM 244 CG ASP A 20 -0.021 0.576 -12.240 1.00 70.40 C ATOM 245 OD1 ASP A 20 0.065 1.664 -12.850 1.00 22.20 O ATOM 246 OD2 ASP A 20 0.971 -0.120 -11.940 1.00 55.00 O ATOM 0 H ASP A 20 -3.765 -0.043 -11.181 1.00 65.00 H new ATOM 0 HA ASP A 20 -2.346 1.804 -12.723 1.00 75.30 H new ATOM 0 HB2 ASP A 20 -1.570 0.278 -10.793 1.00 2.42 H new ATOM 0 HB3 ASP A 20 -1.438 -1.007 -11.978 1.00 2.42 H new ATOM 251 N LYS A 21 -3.251 -0.874 -14.340 1.00 74.40 N ATOM 252 CA LYS A 21 -3.318 -1.486 -15.660 1.00 22.30 C ATOM 253 C LYS A 21 -4.243 -0.697 -16.590 1.00 45.40 C ATOM 254 O LYS A 21 -4.082 -0.716 -17.810 1.00 31.10 O ATOM 255 CB LYS A 21 -3.801 -2.933 -15.550 1.00 44.40 C ATOM 256 CG LYS A 21 -2.676 -3.938 -15.370 1.00 21.40 C ATOM 257 CD LYS A 21 -3.101 -5.093 -14.480 1.00 55.10 C ATOM 258 CE LYS A 21 -1.900 -5.785 -13.850 1.00 12.20 C ATOM 259 NZ LYS A 21 -2.233 -7.157 -13.380 1.00 1.44 N ATOM 0 H LYS A 21 -3.834 -1.326 -13.636 1.00 74.40 H new ATOM 0 HA LYS A 21 -2.315 -1.474 -16.085 1.00 22.30 H new ATOM 0 HB2 LYS A 21 -4.488 -3.015 -14.708 1.00 44.40 H new ATOM 0 HB3 LYS A 21 -4.365 -3.188 -16.447 1.00 44.40 H new ATOM 0 HG2 LYS A 21 -2.369 -4.321 -16.343 1.00 21.40 H new ATOM 0 HG3 LYS A 21 -1.809 -3.441 -14.935 1.00 21.40 H new ATOM 0 HD2 LYS A 21 -3.762 -4.725 -13.696 1.00 55.10 H new ATOM 0 HD3 LYS A 21 -3.671 -5.814 -15.066 1.00 55.10 H new ATOM 0 HE2 LYS A 21 -1.089 -5.837 -14.576 1.00 12.20 H new ATOM 0 HE3 LYS A 21 -1.538 -5.191 -13.010 1.00 12.20 H new ATOM 0 HZ1 LYS A 21 -1.389 -7.594 -12.958 1.00 1.44 H new ATOM 0 HZ2 LYS A 21 -2.989 -7.106 -12.668 1.00 1.44 H new ATOM 0 HZ3 LYS A 21 -2.554 -7.732 -14.185 1.00 1.44 H new ATOM 273 N ALA A 22 -5.213 -0.005 -15.990 1.00 54.30 N ATOM 274 CA ALA A 22 -6.163 0.789 -16.770 1.00 4.32 C ATOM 275 C ALA A 22 -5.749 2.257 -16.810 1.00 13.20 C ATOM 276 O ALA A 22 -6.593 3.146 -16.910 1.00 52.40 O ATOM 277 CB ALA A 22 -7.560 0.651 -16.180 1.00 11.10 C ATOM 0 H ALA A 22 -5.361 0.022 -14.981 1.00 54.30 H new ATOM 0 HA ALA A 22 -6.167 0.413 -17.793 1.00 4.32 H new ATOM 0 HB1 ALA A 22 -8.262 1.245 -16.765 1.00 11.10 H new ATOM 0 HB2 ALA A 22 -7.863 -0.396 -16.203 1.00 11.10 H new ATOM 0 HB3 ALA A 22 -7.556 1.005 -15.149 1.00 11.10 H new ATOM 283 N LYS A 23 -4.445 2.503 -16.730 1.00 44.50 N ATOM 284 CA LYS A 23 -3.920 3.863 -16.770 1.00 14.40 C ATOM 285 C LYS A 23 -4.477 4.693 -15.610 1.00 62.30 C ATOM 286 O LYS A 23 -4.799 5.870 -15.780 1.00 34.50 O ATOM 287 CB LYS A 23 -4.260 4.530 -18.100 1.00 64.30 C ATOM 288 CG LYS A 23 -3.995 3.644 -19.310 1.00 51.20 C ATOM 289 CD LYS A 23 -4.530 4.270 -20.580 1.00 61.30 C ATOM 290 CE LYS A 23 -3.752 3.800 -21.800 1.00 10.20 C ATOM 291 NZ LYS A 23 -2.312 4.171 -21.720 1.00 10.10 N ATOM 0 H LYS A 23 -3.733 1.779 -16.637 1.00 44.50 H new ATOM 0 HA LYS A 23 -2.836 3.810 -16.671 1.00 14.40 H new ATOM 0 HB2 LYS A 23 -5.311 4.819 -18.094 1.00 64.30 H new ATOM 0 HB3 LYS A 23 -3.678 5.447 -18.197 1.00 64.30 H new ATOM 0 HG2 LYS A 23 -2.923 3.473 -19.410 1.00 51.20 H new ATOM 0 HG3 LYS A 23 -4.460 2.670 -19.159 1.00 51.20 H new ATOM 0 HD2 LYS A 23 -5.583 4.015 -20.698 1.00 61.30 H new ATOM 0 HD3 LYS A 23 -4.471 5.356 -20.505 1.00 61.30 H new ATOM 0 HE2 LYS A 23 -3.843 2.718 -21.893 1.00 10.20 H new ATOM 0 HE3 LYS A 23 -4.189 4.235 -22.699 1.00 10.20 H new ATOM 0 HZ1 LYS A 23 -1.936 4.314 -22.679 1.00 10.10 H new ATOM 0 HZ2 LYS A 23 -2.210 5.050 -21.174 1.00 10.10 H new ATOM 0 HZ3 LYS A 23 -1.783 3.409 -21.251 1.00 10.10 H new ATOM 305 N ASN A 24 -4.588 4.073 -14.440 1.00 4.40 N ATOM 306 CA ASN A 24 -5.104 4.756 -13.260 1.00 61.40 C ATOM 307 C ASN A 24 -4.087 4.723 -12.120 1.00 32.50 C ATOM 308 O ASN A 24 -4.215 3.937 -11.190 1.00 12.40 O ATOM 309 CB ASN A 24 -6.416 4.114 -12.810 1.00 15.50 C ATOM 310 CG ASN A 24 -7.493 4.181 -13.870 1.00 71.10 C ATOM 311 OD1 ASN A 24 -7.240 4.603 -15.000 1.00 73.30 O ATOM 312 ND2 ASN A 24 -8.702 3.763 -13.520 1.00 75.50 N ATOM 0 H ASN A 24 -4.328 3.099 -14.284 1.00 4.40 H new ATOM 0 HA ASN A 24 -5.288 5.797 -13.524 1.00 61.40 H new ATOM 0 HB2 ASN A 24 -6.234 3.072 -12.548 1.00 15.50 H new ATOM 0 HB3 ASN A 24 -6.769 4.613 -11.907 1.00 15.50 H new ATOM 0 HD21 ASN A 24 -9.465 3.784 -14.197 1.00 75.50 H new ATOM 0 HD22 ASN A 24 -8.869 3.421 -12.574 1.00 75.50 H new ATOM 319 N TYR A 25 -3.076 5.580 -12.220 1.00 41.50 N ATOM 320 CA TYR A 25 -2.035 5.648 -11.200 1.00 73.20 C ATOM 321 C TYR A 25 -2.575 6.261 -9.915 1.00 62.10 C ATOM 322 O TYR A 25 -2.337 5.744 -8.823 1.00 23.20 O ATOM 323 CB TYR A 25 -0.847 6.467 -11.710 1.00 15.00 C ATOM 324 CG TYR A 25 -0.287 5.970 -13.020 1.00 20.00 C ATOM 325 CD1 TYR A 25 0.105 4.646 -13.170 1.00 12.50 C ATOM 326 CD2 TYR A 25 -0.150 6.825 -14.110 1.00 55.50 C ATOM 327 CE1 TYR A 25 0.617 4.188 -14.370 1.00 23.10 C ATOM 328 CE2 TYR A 25 0.361 6.374 -15.310 1.00 65.10 C ATOM 329 CZ TYR A 25 0.743 5.056 -15.440 1.00 3.41 C ATOM 330 OH TYR A 25 1.253 4.604 -16.630 1.00 43.40 O ATOM 0 H TYR A 25 -2.955 6.234 -12.993 1.00 41.50 H new ATOM 0 HA TYR A 25 -1.702 4.632 -10.985 1.00 73.20 H new ATOM 0 HB2 TYR A 25 -1.156 7.506 -11.828 1.00 15.00 H new ATOM 0 HB3 TYR A 25 -0.058 6.453 -10.959 1.00 15.00 H new ATOM 0 HD1 TYR A 25 0.009 3.965 -12.338 1.00 12.50 H new ATOM 0 HD2 TYR A 25 -0.449 7.859 -14.015 1.00 55.50 H new ATOM 0 HE1 TYR A 25 0.918 3.156 -14.472 1.00 23.10 H new ATOM 0 HE2 TYR A 25 0.461 7.052 -16.145 1.00 65.10 H new ATOM 0 HH TYR A 25 1.273 5.339 -17.278 1.00 43.40 H new ATOM 340 N GLU A 26 -3.303 7.364 -10.050 1.00 4.31 N ATOM 341 CA GLU A 26 -3.877 8.047 -8.896 1.00 33.30 C ATOM 342 C GLU A 26 -4.868 7.146 -8.167 1.00 45.00 C ATOM 343 O GLU A 26 -4.845 7.045 -6.941 1.00 44.30 O ATOM 344 CB GLU A 26 -4.571 9.338 -9.334 1.00 3.13 C ATOM 345 CG GLU A 26 -5.647 9.124 -10.380 1.00 74.20 C ATOM 346 CD GLU A 26 -7.017 8.893 -9.780 1.00 12.00 C ATOM 347 OE1 GLU A 26 -7.243 9.341 -8.636 1.00 11.30 O ATOM 348 OE2 GLU A 26 -7.864 8.264 -10.440 1.00 5.44 O ATOM 0 H GLU A 26 -3.510 7.804 -10.947 1.00 4.31 H new ATOM 0 HA GLU A 26 -3.066 8.293 -8.211 1.00 33.30 H new ATOM 0 HB2 GLU A 26 -5.015 9.816 -8.461 1.00 3.13 H new ATOM 0 HB3 GLU A 26 -3.824 10.026 -9.729 1.00 3.13 H new ATOM 0 HG2 GLU A 26 -5.686 9.993 -11.037 1.00 74.20 H new ATOM 0 HG3 GLU A 26 -5.379 8.268 -11.000 1.00 74.20 H new ATOM 355 N GLU A 27 -5.738 6.492 -8.931 1.00 75.10 N ATOM 356 CA GLU A 27 -6.738 5.599 -8.358 1.00 25.40 C ATOM 357 C GLU A 27 -6.075 4.410 -7.669 1.00 70.00 C ATOM 358 O GLU A 27 -6.446 4.039 -6.555 1.00 61.40 O ATOM 359 CB GLU A 27 -7.694 5.105 -9.445 1.00 21.10 C ATOM 360 CG GLU A 27 -9.063 4.709 -8.918 1.00 11.40 C ATOM 361 CD GLU A 27 -10.190 5.148 -9.832 1.00 65.40 C ATOM 362 OE1 GLU A 27 -10.660 6.293 -9.678 1.00 13.30 O ATOM 363 OE2 GLU A 27 -10.590 4.349 -10.700 1.00 22.40 O ATOM 0 H GLU A 27 -5.770 6.564 -9.948 1.00 75.10 H new ATOM 0 HA GLU A 27 -7.304 6.158 -7.613 1.00 25.40 H new ATOM 0 HB2 GLU A 27 -7.815 5.888 -10.194 1.00 21.10 H new ATOM 0 HB3 GLU A 27 -7.246 4.248 -9.949 1.00 21.10 H new ATOM 0 HG2 GLU A 27 -9.101 3.627 -8.794 1.00 11.40 H new ATOM 0 HG3 GLU A 27 -9.209 5.148 -7.931 1.00 11.40 H new ATOM 370 N ALA A 28 -5.093 3.817 -8.339 1.00 31.10 N ATOM 371 CA ALA A 28 -4.378 2.670 -7.792 1.00 42.10 C ATOM 372 C ALA A 28 -3.699 3.025 -6.473 1.00 12.10 C ATOM 373 O ALA A 28 -3.705 2.235 -5.529 1.00 4.52 O ATOM 374 CB ALA A 28 -3.354 2.160 -8.794 1.00 25.30 C ATOM 0 H ALA A 28 -4.774 4.112 -9.262 1.00 31.10 H new ATOM 0 HA ALA A 28 -5.103 1.880 -7.596 1.00 42.10 H new ATOM 0 HB1 ALA A 28 -2.828 1.304 -8.372 1.00 25.30 H new ATOM 0 HB2 ALA A 28 -3.861 1.859 -9.711 1.00 25.30 H new ATOM 0 HB3 ALA A 28 -2.639 2.951 -9.018 1.00 25.30 H new ATOM 380 N LEU A 29 -3.114 4.216 -6.417 1.00 74.20 N ATOM 381 CA LEU A 29 -2.430 4.676 -5.213 1.00 74.40 C ATOM 382 C LEU A 29 -3.392 4.738 -4.031 1.00 70.10 C ATOM 383 O LEU A 29 -3.026 4.409 -2.903 1.00 44.30 O ATOM 384 CB LEU A 29 -1.804 6.051 -5.451 1.00 5.24 C ATOM 385 CG LEU A 29 -0.749 6.471 -4.425 1.00 13.40 C ATOM 386 CD1 LEU A 29 -1.396 6.756 -3.079 1.00 54.20 C ATOM 387 CD2 LEU A 29 0.319 5.396 -4.288 1.00 35.50 C ATOM 0 H LEU A 29 -3.099 4.881 -7.191 1.00 74.20 H new ATOM 0 HA LEU A 29 -1.641 3.962 -4.978 1.00 74.40 H new ATOM 0 HB2 LEU A 29 -1.349 6.059 -6.441 1.00 5.24 H new ATOM 0 HB3 LEU A 29 -2.598 6.798 -5.459 1.00 5.24 H new ATOM 0 HG LEU A 29 -0.273 7.386 -4.777 1.00 13.40 H new ATOM 0 HD11 LEU A 29 -0.630 7.053 -2.363 1.00 54.20 H new ATOM 0 HD12 LEU A 29 -2.123 7.561 -3.188 1.00 54.20 H new ATOM 0 HD13 LEU A 29 -1.900 5.858 -2.720 1.00 54.20 H new ATOM 0 HD21 LEU A 29 1.061 5.712 -3.554 1.00 35.50 H new ATOM 0 HD22 LEU A 29 -0.142 4.465 -3.960 1.00 35.50 H new ATOM 0 HD23 LEU A 29 0.805 5.241 -5.251 1.00 35.50 H new ATOM 399 N ARG A 30 -4.622 5.163 -4.298 1.00 64.20 N ATOM 400 CA ARG A 30 -5.637 5.268 -3.256 1.00 13.40 C ATOM 401 C ARG A 30 -5.921 3.905 -2.633 1.00 74.20 C ATOM 402 O ARG A 30 -5.860 3.743 -1.414 1.00 72.00 O ATOM 403 CB ARG A 30 -6.927 5.859 -3.828 1.00 53.40 C ATOM 404 CG ARG A 30 -6.737 7.220 -4.478 1.00 43.10 C ATOM 405 CD ARG A 30 -7.940 8.120 -4.248 1.00 1.02 C ATOM 406 NE ARG A 30 -7.975 9.238 -5.188 1.00 43.30 N ATOM 407 CZ ARG A 30 -7.205 10.319 -5.084 1.00 74.20 C ATOM 408 NH1 ARG A 30 -6.339 10.432 -4.084 1.00 40.40 N ATOM 409 NH2 ARG A 30 -7.300 11.289 -5.983 1.00 22.40 N ATOM 0 H ARG A 30 -4.940 5.440 -5.227 1.00 64.20 H new ATOM 0 HA ARG A 30 -5.256 5.930 -2.479 1.00 13.40 H new ATOM 0 HB2 ARG A 30 -7.338 5.168 -4.564 1.00 53.40 H new ATOM 0 HB3 ARG A 30 -7.662 5.947 -3.028 1.00 53.40 H new ATOM 0 HG2 ARG A 30 -5.843 7.696 -4.074 1.00 43.10 H new ATOM 0 HG3 ARG A 30 -6.575 7.094 -5.548 1.00 43.10 H new ATOM 0 HD2 ARG A 30 -8.854 7.535 -4.346 1.00 1.02 H new ATOM 0 HD3 ARG A 30 -7.916 8.504 -3.228 1.00 1.02 H new ATOM 0 HE ARG A 30 -8.628 9.187 -5.970 1.00 43.30 H new ATOM 0 HH11 ARG A 30 -6.261 9.688 -3.390 1.00 40.40 H new ATOM 0 HH12 ARG A 30 -5.752 11.263 -4.009 1.00 40.40 H new ATOM 0 HH21 ARG A 30 -7.963 11.207 -6.754 1.00 22.40 H new ATOM 0 HH22 ARG A 30 -6.710 12.117 -5.904 1.00 22.40 H new ATOM 423 N LEU A 31 -6.231 2.928 -3.478 1.00 70.10 N ATOM 424 CA LEU A 31 -6.525 1.578 -3.011 1.00 61.40 C ATOM 425 C LEU A 31 -5.264 0.897 -2.489 1.00 71.20 C ATOM 426 O LEU A 31 -5.324 0.078 -1.571 1.00 23.20 O ATOM 427 CB LEU A 31 -7.137 0.747 -4.141 1.00 15.10 C ATOM 428 CG LEU A 31 -8.652 0.886 -4.299 1.00 74.20 C ATOM 429 CD1 LEU A 31 -9.053 0.727 -5.757 1.00 61.40 C ATOM 430 CD2 LEU A 31 -9.373 -0.135 -3.432 1.00 25.20 C ATOM 0 H LEU A 31 -6.285 3.045 -4.490 1.00 70.10 H new ATOM 0 HA LEU A 31 -7.242 1.651 -2.193 1.00 61.40 H new ATOM 0 HB2 LEU A 31 -6.661 1.032 -5.080 1.00 15.10 H new ATOM 0 HB3 LEU A 31 -6.900 -0.303 -3.969 1.00 15.10 H new ATOM 0 HG LEU A 31 -8.943 1.884 -3.970 1.00 74.20 H new ATOM 0 HD11 LEU A 31 -10.134 0.829 -5.850 1.00 61.40 H new ATOM 0 HD12 LEU A 31 -8.563 1.496 -6.355 1.00 61.40 H new ATOM 0 HD13 LEU A 31 -8.749 -0.258 -6.113 1.00 61.40 H new ATOM 0 HD21 LEU A 31 -10.450 -0.022 -3.556 1.00 25.20 H new ATOM 0 HD22 LEU A 31 -9.076 -1.140 -3.731 1.00 25.20 H new ATOM 0 HD23 LEU A 31 -9.110 0.025 -2.386 1.00 25.20 H new ATOM 442 N TYR A 32 -4.124 1.240 -3.079 1.00 44.00 N ATOM 443 CA TYR A 32 -2.848 0.661 -2.673 1.00 15.30 C ATOM 444 C TYR A 32 -2.517 1.032 -1.231 1.00 21.40 C ATOM 445 O TYR A 32 -2.122 0.179 -0.436 1.00 22.50 O ATOM 446 CB TYR A 32 -1.730 1.135 -3.603 1.00 42.10 C ATOM 447 CG TYR A 32 -1.498 0.222 -4.786 1.00 52.40 C ATOM 448 CD1 TYR A 32 -1.444 -1.157 -4.624 1.00 0.30 C ATOM 449 CD2 TYR A 32 -1.334 0.739 -6.065 1.00 23.40 C ATOM 450 CE1 TYR A 32 -1.232 -1.995 -5.702 1.00 34.10 C ATOM 451 CE2 TYR A 32 -1.122 -0.093 -7.149 1.00 40.10 C ATOM 452 CZ TYR A 32 -1.072 -1.458 -6.962 1.00 33.40 C ATOM 453 OH TYR A 32 -0.861 -2.289 -8.038 1.00 43.50 O ATOM 0 H TYR A 32 -4.057 1.916 -3.840 1.00 44.00 H new ATOM 0 HA TYR A 32 -2.932 -0.424 -2.740 1.00 15.30 H new ATOM 0 HB2 TYR A 32 -1.971 2.134 -3.967 1.00 42.10 H new ATOM 0 HB3 TYR A 32 -0.805 1.218 -3.032 1.00 42.10 H new ATOM 0 HD1 TYR A 32 -1.570 -1.581 -3.639 1.00 0.30 H new ATOM 0 HD2 TYR A 32 -1.373 1.808 -6.215 1.00 23.40 H new ATOM 0 HE1 TYR A 32 -1.192 -3.065 -5.559 1.00 34.10 H new ATOM 0 HE2 TYR A 32 -0.996 0.324 -8.137 1.00 40.10 H new ATOM 0 HH TYR A 32 -0.770 -1.752 -8.853 1.00 43.50 H new ATOM 463 N GLN A 33 -2.681 2.309 -0.901 1.00 61.20 N ATOM 464 CA GLN A 33 -2.400 2.792 0.445 1.00 54.20 C ATOM 465 C GLN A 33 -3.278 2.086 1.472 1.00 41.50 C ATOM 466 O GLN A 33 -2.788 1.586 2.485 1.00 70.20 O ATOM 467 CB GLN A 33 -2.620 4.304 0.523 1.00 4.42 C ATOM 468 CG GLN A 33 -1.380 5.117 0.189 1.00 32.40 C ATOM 469 CD GLN A 33 -1.643 6.610 0.194 1.00 71.50 C ATOM 470 OE1 GLN A 33 -2.664 7.033 -0.542 1.00 15.10 O flip ATOM 471 NE2 GLN A 33 -0.937 7.375 0.852 1.00 44.20 N flip ATOM 0 H GLN A 33 -3.007 3.027 -1.548 1.00 61.20 H new ATOM 0 HA GLN A 33 -1.357 2.571 0.672 1.00 54.20 H new ATOM 0 HB2 GLN A 33 -3.422 4.582 -0.161 1.00 4.42 H new ATOM 0 HB3 GLN A 33 -2.954 4.563 1.528 1.00 4.42 H new ATOM 0 HG2 GLN A 33 -0.595 4.888 0.909 1.00 32.40 H new ATOM 0 HG3 GLN A 33 -1.009 4.820 -0.792 1.00 32.40 H new ATOM 0 HE21 GLN A 33 -0.162 7.006 1.404 1.00 44.20 H new ATOM 0 HE22 GLN A 33 -1.127 8.377 0.845 1.00 44.20 H new ATOM 480 N HIS A 34 -4.580 2.048 1.204 1.00 3.42 N ATOM 481 CA HIS A 34 -5.527 1.402 2.105 1.00 41.50 C ATOM 482 C HIS A 34 -5.196 -0.077 2.274 1.00 30.50 C ATOM 483 O HIS A 34 -5.362 -0.641 3.355 1.00 53.20 O ATOM 484 CB HIS A 34 -6.954 1.560 1.577 1.00 11.40 C ATOM 485 CG HIS A 34 -7.411 2.984 1.506 1.00 53.20 C ATOM 486 ND1 HIS A 34 -6.989 3.956 2.389 1.00 43.30 N ATOM 487 CD2 HIS A 34 -8.259 3.601 0.649 1.00 15.20 C ATOM 488 CE1 HIS A 34 -7.558 5.107 2.079 1.00 62.20 C ATOM 489 NE2 HIS A 34 -8.333 4.919 1.027 1.00 24.20 N ATOM 0 H HIS A 34 -5.002 2.457 0.370 1.00 3.42 H new ATOM 0 HA HIS A 34 -5.451 1.886 3.079 1.00 41.50 H new ATOM 0 HB2 HIS A 34 -7.016 1.117 0.583 1.00 11.40 H new ATOM 0 HB3 HIS A 34 -7.634 1.000 2.219 1.00 11.40 H new ATOM 0 HD2 HIS A 34 -8.780 3.142 -0.178 1.00 15.20 H new ATOM 0 HE1 HIS A 34 -7.414 6.043 2.598 1.00 62.20 H new ATOM 0 HE2 HIS A 34 -8.895 5.636 0.569 1.00 24.20 H new ATOM 498 N ALA A 35 -4.728 -0.700 1.197 1.00 23.00 N ATOM 499 CA ALA A 35 -4.374 -2.114 1.226 1.00 4.03 C ATOM 500 C ALA A 35 -3.147 -2.355 2.099 1.00 4.33 C ATOM 501 O ALA A 35 -3.167 -3.197 2.997 1.00 20.30 O ATOM 502 CB ALA A 35 -4.128 -2.625 -0.185 1.00 21.10 C ATOM 0 H ALA A 35 -4.585 -0.248 0.294 1.00 23.00 H new ATOM 0 HA ALA A 35 -5.210 -2.664 1.659 1.00 4.03 H new ATOM 0 HB1 ALA A 35 -3.865 -3.682 -0.148 1.00 21.10 H new ATOM 0 HB2 ALA A 35 -5.031 -2.497 -0.781 1.00 21.10 H new ATOM 0 HB3 ALA A 35 -3.311 -2.063 -0.638 1.00 21.10 H new ATOM 508 N VAL A 36 -2.080 -1.611 1.829 1.00 60.40 N ATOM 509 CA VAL A 36 -0.843 -1.743 2.590 1.00 63.20 C ATOM 510 C VAL A 36 -1.055 -1.363 4.051 1.00 55.20 C ATOM 511 O VAL A 36 -0.530 -2.013 4.955 1.00 32.40 O ATOM 512 CB VAL A 36 0.278 -0.866 1.999 1.00 24.40 C ATOM 513 CG1 VAL A 36 1.598 -1.135 2.707 1.00 72.20 C ATOM 514 CG2 VAL A 36 0.411 -1.103 0.502 1.00 21.00 C ATOM 0 H VAL A 36 -2.047 -0.910 1.089 1.00 60.40 H new ATOM 0 HA VAL A 36 -0.544 -2.789 2.529 1.00 63.20 H new ATOM 0 HB VAL A 36 0.014 0.180 2.156 1.00 24.40 H new ATOM 0 HG11 VAL A 36 2.377 -0.506 2.276 1.00 72.20 H new ATOM 0 HG12 VAL A 36 1.495 -0.908 3.768 1.00 72.20 H new ATOM 0 HG13 VAL A 36 1.869 -2.184 2.585 1.00 72.20 H new ATOM 0 HG21 VAL A 36 1.208 -0.475 0.104 1.00 21.00 H new ATOM 0 HG22 VAL A 36 0.650 -2.151 0.319 1.00 21.00 H new ATOM 0 HG23 VAL A 36 -0.529 -0.854 0.009 1.00 21.00 H new ATOM 524 N GLU A 37 -1.828 -0.305 4.276 1.00 61.00 N ATOM 525 CA GLU A 37 -2.109 0.162 5.629 1.00 54.00 C ATOM 526 C GLU A 37 -2.813 -0.919 6.443 1.00 10.30 C ATOM 527 O GLU A 37 -2.368 -1.278 7.533 1.00 60.50 O ATOM 528 CB GLU A 37 -2.970 1.426 5.585 1.00 41.50 C ATOM 529 CG GLU A 37 -2.778 2.334 6.789 1.00 22.10 C ATOM 530 CD GLU A 37 -3.941 3.286 6.992 1.00 1.22 C ATOM 531 OE1 GLU A 37 -4.069 4.244 6.201 1.00 43.00 O ATOM 532 OE2 GLU A 37 -4.724 3.072 7.942 1.00 34.50 O ATOM 0 H GLU A 37 -2.271 0.245 3.539 1.00 61.00 H new ATOM 0 HA GLU A 37 -1.159 0.393 6.112 1.00 54.00 H new ATOM 0 HB2 GLU A 37 -2.736 1.984 4.678 1.00 41.50 H new ATOM 0 HB3 GLU A 37 -4.020 1.139 5.520 1.00 41.50 H new ATOM 0 HG2 GLU A 37 -2.652 1.724 7.683 1.00 22.10 H new ATOM 0 HG3 GLU A 37 -1.860 2.909 6.664 1.00 22.10 H new ATOM 539 N TYR A 38 -3.914 -1.434 5.906 1.00 32.40 N ATOM 540 CA TYR A 38 -4.680 -2.475 6.582 1.00 44.10 C ATOM 541 C TYR A 38 -3.827 -3.719 6.808 1.00 34.50 C ATOM 542 O TYR A 38 -4.012 -4.441 7.787 1.00 44.50 O ATOM 543 CB TYR A 38 -5.922 -2.835 5.766 1.00 4.11 C ATOM 544 CG TYR A 38 -7.142 -2.017 6.125 1.00 23.00 C ATOM 545 CD1 TYR A 38 -7.662 -2.039 7.413 1.00 61.20 C ATOM 546 CD2 TYR A 38 -7.773 -1.222 5.176 1.00 53.20 C ATOM 547 CE1 TYR A 38 -8.777 -1.293 7.745 1.00 44.30 C ATOM 548 CE2 TYR A 38 -8.888 -0.473 5.500 1.00 64.20 C ATOM 549 CZ TYR A 38 -9.386 -0.512 6.785 1.00 21.40 C ATOM 550 OH TYR A 38 -10.490 0.233 7.112 1.00 0.20 O ATOM 0 H TYR A 38 -4.296 -1.148 5.005 1.00 32.40 H new ATOM 0 HA TYR A 38 -4.991 -2.089 7.553 1.00 44.10 H new ATOM 0 HB2 TYR A 38 -5.703 -2.699 4.707 1.00 4.11 H new ATOM 0 HB3 TYR A 38 -6.148 -3.891 5.911 1.00 4.11 H new ATOM 0 HD1 TYR A 38 -7.187 -2.649 8.167 1.00 61.20 H new ATOM 0 HD2 TYR A 38 -7.386 -1.189 4.168 1.00 53.20 H new ATOM 0 HE1 TYR A 38 -9.169 -1.321 8.751 1.00 44.30 H new ATOM 0 HE2 TYR A 38 -9.367 0.140 4.751 1.00 64.20 H new ATOM 0 HH TYR A 38 -10.797 0.727 6.323 1.00 0.20 H new ATOM 560 N PHE A 39 -2.892 -3.963 5.895 1.00 55.30 N ATOM 561 CA PHE A 39 -2.010 -5.120 5.995 1.00 50.30 C ATOM 562 C PHE A 39 -1.159 -5.048 7.259 1.00 22.50 C ATOM 563 O PHE A 39 -1.121 -5.992 8.048 1.00 31.50 O ATOM 564 CB PHE A 39 -1.107 -5.207 4.763 1.00 1.44 C ATOM 565 CG PHE A 39 -1.688 -6.034 3.651 1.00 4.10 C ATOM 566 CD1 PHE A 39 -2.116 -7.331 3.887 1.00 65.40 C ATOM 567 CD2 PHE A 39 -1.804 -5.516 2.372 1.00 70.20 C ATOM 568 CE1 PHE A 39 -2.650 -8.095 2.866 1.00 54.10 C ATOM 569 CE2 PHE A 39 -2.337 -6.274 1.347 1.00 23.40 C ATOM 570 CZ PHE A 39 -2.761 -7.566 1.595 1.00 74.20 C ATOM 0 H PHE A 39 -2.726 -3.375 5.078 1.00 55.30 H new ATOM 0 HA PHE A 39 -2.630 -6.015 6.047 1.00 50.30 H new ATOM 0 HB2 PHE A 39 -0.913 -4.200 4.393 1.00 1.44 H new ATOM 0 HB3 PHE A 39 -0.146 -5.630 5.056 1.00 1.44 H new ATOM 0 HD1 PHE A 39 -2.031 -7.749 4.879 1.00 65.40 H new ATOM 0 HD2 PHE A 39 -1.474 -4.507 2.173 1.00 70.20 H new ATOM 0 HE1 PHE A 39 -2.980 -9.104 3.062 1.00 54.10 H new ATOM 0 HE2 PHE A 39 -2.422 -5.858 0.354 1.00 23.40 H new ATOM 0 HZ PHE A 39 -3.178 -8.161 0.796 1.00 74.20 H new ATOM 580 N LEU A 40 -0.477 -3.922 7.444 1.00 3.01 N ATOM 581 CA LEU A 40 0.373 -3.728 8.613 1.00 2.24 C ATOM 582 C LEU A 40 -0.440 -3.820 9.899 1.00 13.40 C ATOM 583 O LEU A 40 0.065 -4.253 10.935 1.00 40.10 O ATOM 584 CB LEU A 40 1.077 -2.371 8.537 1.00 64.40 C ATOM 585 CG LEU A 40 1.840 -2.109 7.237 1.00 71.40 C ATOM 586 CD1 LEU A 40 2.326 -0.669 7.185 1.00 12.30 C ATOM 587 CD2 LEU A 40 3.008 -3.074 7.103 1.00 2.43 C ATOM 0 H LEU A 40 -0.496 -3.131 6.800 1.00 3.01 H new ATOM 0 HA LEU A 40 1.122 -4.519 8.622 1.00 2.24 H new ATOM 0 HB2 LEU A 40 0.333 -1.585 8.669 1.00 64.40 H new ATOM 0 HB3 LEU A 40 1.774 -2.293 9.371 1.00 64.40 H new ATOM 0 HG LEU A 40 1.162 -2.272 6.399 1.00 71.40 H new ATOM 0 HD11 LEU A 40 2.867 -0.501 6.254 1.00 12.30 H new ATOM 0 HD12 LEU A 40 1.471 0.006 7.235 1.00 12.30 H new ATOM 0 HD13 LEU A 40 2.989 -0.478 8.029 1.00 12.30 H new ATOM 0 HD21 LEU A 40 3.540 -2.874 6.173 1.00 2.43 H new ATOM 0 HD22 LEU A 40 3.687 -2.942 7.945 1.00 2.43 H new ATOM 0 HD23 LEU A 40 2.635 -4.098 7.095 1.00 2.43 H new ATOM 599 N HIS A 41 -1.702 -3.411 9.827 1.00 0.10 N ATOM 600 CA HIS A 41 -2.586 -3.448 10.986 1.00 11.50 C ATOM 601 C HIS A 41 -2.868 -4.886 11.410 1.00 10.30 C ATOM 602 O HIS A 41 -2.998 -5.179 12.598 1.00 60.00 O ATOM 603 CB HIS A 41 -3.900 -2.729 10.675 1.00 42.20 C ATOM 604 CG HIS A 41 -3.775 -1.237 10.655 1.00 45.10 C ATOM 605 ND1 HIS A 41 -2.802 -0.436 10.160 1.00 53.10 N flip ATOM 606 CD2 HIS A 41 -4.727 -0.395 11.191 1.00 14.20 C flip ATOM 607 CE1 HIS A 41 -3.181 0.862 10.404 1.00 32.30 C flip ATOM 608 NE2 HIS A 41 -4.345 0.859 11.025 1.00 52.30 N flip ATOM 0 H HIS A 41 -2.136 -3.050 8.978 1.00 0.10 H new ATOM 0 HA HIS A 41 -2.086 -2.937 11.809 1.00 11.50 H new ATOM 0 HB2 HIS A 41 -4.270 -3.068 9.707 1.00 42.20 H new ATOM 0 HB3 HIS A 41 -4.645 -3.013 11.418 1.00 42.20 H new ATOM 0 HD1 HIS A 41 -1.947 -0.739 9.693 1.00 53.10 H new ATOM 0 HD2 HIS A 41 -5.641 -0.711 11.671 1.00 14.20 H new ATOM 0 HE1 HIS A 41 -2.617 1.742 10.132 1.00 32.30 H new ATOM 617 N ALA A 42 -2.961 -5.779 10.430 1.00 30.50 N ATOM 618 CA ALA A 42 -3.228 -7.186 10.701 1.00 21.10 C ATOM 619 C ALA A 42 -2.009 -7.870 11.310 1.00 61.00 C ATOM 620 O ALA A 42 -2.139 -8.819 12.083 1.00 72.50 O ATOM 621 CB ALA A 42 -3.651 -7.897 9.424 1.00 13.20 C ATOM 0 H ALA A 42 -2.855 -5.553 9.441 1.00 30.50 H new ATOM 0 HA ALA A 42 -4.042 -7.243 11.424 1.00 21.10 H new ATOM 0 HB1 ALA A 42 -3.847 -8.947 9.640 1.00 13.20 H new ATOM 0 HB2 ALA A 42 -4.555 -7.432 9.031 1.00 13.20 H new ATOM 0 HB3 ALA A 42 -2.854 -7.822 8.685 1.00 13.20 H new ATOM 627 N ILE A 43 -0.824 -7.382 10.956 1.00 55.30 N ATOM 628 CA ILE A 43 0.419 -7.947 11.469 1.00 42.20 C ATOM 629 C ILE A 43 0.640 -7.557 12.926 1.00 73.40 C ATOM 630 O ILE A 43 1.226 -8.314 13.700 1.00 62.10 O ATOM 631 CB ILE A 43 1.631 -7.489 10.636 1.00 25.10 C ATOM 632 CG1 ILE A 43 1.369 -7.713 9.145 1.00 42.30 C ATOM 633 CG2 ILE A 43 2.887 -8.227 11.075 1.00 72.40 C ATOM 634 CD1 ILE A 43 2.267 -6.894 8.244 1.00 23.10 C ATOM 0 H ILE A 43 -0.699 -6.597 10.317 1.00 55.30 H new ATOM 0 HA ILE A 43 0.327 -9.031 11.396 1.00 42.20 H new ATOM 0 HB ILE A 43 1.783 -6.423 10.802 1.00 25.10 H new ATOM 0 HG12 ILE A 43 1.504 -8.770 8.915 1.00 42.30 H new ATOM 0 HG13 ILE A 43 0.329 -7.470 8.926 1.00 42.30 H new ATOM 0 HG21 ILE A 43 3.734 -7.892 10.476 1.00 72.40 H new ATOM 0 HG22 ILE A 43 3.082 -8.020 12.127 1.00 72.40 H new ATOM 0 HG23 ILE A 43 2.746 -9.299 10.936 1.00 72.40 H new ATOM 0 HD11 ILE A 43 2.025 -7.103 7.202 1.00 23.10 H new ATOM 0 HD12 ILE A 43 2.115 -5.834 8.446 1.00 23.10 H new ATOM 0 HD13 ILE A 43 3.308 -7.154 8.434 1.00 23.10 H new ATOM 646 N LYS A 44 0.168 -6.370 13.295 1.00 32.20 N ATOM 647 CA LYS A 44 0.315 -5.880 14.660 1.00 14.40 C ATOM 648 C LYS A 44 -0.811 -6.398 15.549 1.00 11.00 C ATOM 649 O LYS A 44 -0.581 -6.793 16.692 1.00 55.30 O ATOM 650 CB LYS A 44 0.330 -4.350 14.676 1.00 2.21 C ATOM 651 CG LYS A 44 -0.971 -3.723 14.203 1.00 75.40 C ATOM 652 CD LYS A 44 -0.910 -2.206 14.254 1.00 42.00 C ATOM 653 CE LYS A 44 -2.287 -1.586 14.087 1.00 21.20 C ATOM 654 NZ LYS A 44 -2.237 -0.323 13.299 1.00 54.10 N ATOM 0 H LYS A 44 -0.319 -5.730 12.667 1.00 32.20 H new ATOM 0 HA LYS A 44 1.262 -6.250 15.052 1.00 14.40 H new ATOM 0 HB2 LYS A 44 0.541 -4.008 15.689 1.00 2.21 H new ATOM 0 HB3 LYS A 44 1.145 -3.996 14.044 1.00 2.21 H new ATOM 0 HG2 LYS A 44 -1.182 -4.045 13.183 1.00 75.40 H new ATOM 0 HG3 LYS A 44 -1.793 -4.076 14.825 1.00 75.40 H new ATOM 0 HD2 LYS A 44 -0.481 -1.890 15.205 1.00 42.00 H new ATOM 0 HD3 LYS A 44 -0.248 -1.841 13.469 1.00 42.00 H new ATOM 0 HE2 LYS A 44 -2.947 -2.297 13.591 1.00 21.20 H new ATOM 0 HE3 LYS A 44 -2.716 -1.384 15.069 1.00 21.20 H new ATOM 0 HZ1 LYS A 44 -3.178 0.121 13.294 1.00 54.10 H new ATOM 0 HZ2 LYS A 44 -1.549 0.328 13.730 1.00 54.10 H new ATOM 0 HZ3 LYS A 44 -1.949 -0.534 12.322 1.00 54.10 H new ATOM 668 N TYR A 45 -2.029 -6.393 15.017 1.00 14.20 N ATOM 669 CA TYR A 45 -3.191 -6.863 15.762 1.00 32.10 C ATOM 670 C TYR A 45 -3.139 -8.376 15.954 1.00 43.30 C ATOM 671 O TYR A 45 -2.852 -8.863 17.047 1.00 51.50 O ATOM 672 CB TYR A 45 -4.480 -6.473 15.038 1.00 11.30 C ATOM 673 CG TYR A 45 -5.057 -5.152 15.497 1.00 34.50 C ATOM 674 CD1 TYR A 45 -4.537 -3.948 15.039 1.00 74.20 C ATOM 675 CD2 TYR A 45 -6.122 -5.111 16.388 1.00 12.10 C ATOM 676 CE1 TYR A 45 -5.062 -2.740 15.456 1.00 31.00 C ATOM 677 CE2 TYR A 45 -6.653 -3.906 16.810 1.00 12.30 C ATOM 678 CZ TYR A 45 -6.119 -2.724 16.341 1.00 11.20 C ATOM 679 OH TYR A 45 -6.644 -1.523 16.759 1.00 74.10 O ATOM 0 H TYR A 45 -2.237 -6.069 14.073 1.00 14.20 H new ATOM 0 HA TYR A 45 -3.177 -6.390 16.744 1.00 32.10 H new ATOM 0 HB2 TYR A 45 -4.284 -6.422 13.967 1.00 11.30 H new ATOM 0 HB3 TYR A 45 -5.223 -7.256 15.189 1.00 11.30 H new ATOM 0 HD1 TYR A 45 -3.709 -3.956 14.346 1.00 74.20 H new ATOM 0 HD2 TYR A 45 -6.542 -6.035 16.757 1.00 12.10 H new ATOM 0 HE1 TYR A 45 -4.646 -1.813 15.090 1.00 31.00 H new ATOM 0 HE2 TYR A 45 -7.481 -3.891 17.503 1.00 12.30 H new ATOM 0 HH TYR A 45 -7.384 -1.688 17.380 1.00 74.10 H new ATOM 689 N GLU A 46 -3.419 -9.113 14.884 1.00 3.42 N ATOM 690 CA GLU A 46 -3.404 -10.570 14.935 1.00 11.30 C ATOM 691 C GLU A 46 -2.545 -11.140 13.813 1.00 11.30 C ATOM 692 O GLU A 46 -2.931 -11.110 12.644 1.00 15.00 O ATOM 693 CB GLU A 46 -4.828 -11.110 14.835 1.00 71.50 C ATOM 694 CG GLU A 46 -5.799 -10.470 15.810 1.00 1.05 C ATOM 695 CD GLU A 46 -6.092 -11.350 17.009 1.00 21.50 C ATOM 696 OE1 GLU A 46 -5.144 -11.670 17.758 1.00 15.10 O ATOM 697 OE2 GLU A 46 -7.270 -11.720 17.200 1.00 44.40 O ATOM 0 H GLU A 46 -3.659 -8.725 13.972 1.00 3.42 H new ATOM 0 HA GLU A 46 -2.972 -10.879 15.887 1.00 11.30 H new ATOM 0 HB2 GLU A 46 -5.194 -10.956 13.820 1.00 71.50 H new ATOM 0 HB3 GLU A 46 -4.811 -12.186 15.008 1.00 71.50 H new ATOM 0 HG2 GLU A 46 -5.389 -9.520 16.153 1.00 1.05 H new ATOM 0 HG3 GLU A 46 -6.732 -10.246 15.293 1.00 1.05 H new ATOM 704 N ALA A 47 -1.379 -11.660 14.176 1.00 52.30 N ATOM 705 CA ALA A 47 -0.466 -12.250 13.200 1.00 31.20 C ATOM 706 C ALA A 47 -0.278 -13.740 13.447 1.00 30.20 C ATOM 707 O ALA A 47 -0.164 -14.180 14.591 1.00 53.00 O ATOM 708 CB ALA A 47 0.876 -11.530 13.241 1.00 25.30 C ATOM 0 H ALA A 47 -1.042 -11.686 15.138 1.00 52.30 H new ATOM 0 HA ALA A 47 -0.905 -12.132 12.209 1.00 31.20 H new ATOM 0 HB1 ALA A 47 1.551 -11.976 12.510 1.00 25.30 H new ATOM 0 HB2 ALA A 47 0.731 -10.476 13.005 1.00 25.30 H new ATOM 0 HB3 ALA A 47 1.308 -11.622 14.237 1.00 25.30 H new ATOM 714 N HIS A 48 -0.246 -14.510 12.367 1.00 70.00 N ATOM 715 CA HIS A 48 -0.072 -15.960 12.467 1.00 24.30 C ATOM 716 C HIS A 48 1.254 -16.300 13.138 1.00 70.40 C ATOM 717 O HIS A 48 1.286 -16.710 14.298 1.00 52.00 O ATOM 718 CB HIS A 48 -0.134 -16.600 11.079 1.00 63.50 C ATOM 719 CG HIS A 48 -1.529 -16.850 10.598 1.00 12.30 C ATOM 720 ND1 HIS A 48 -2.359 -17.800 11.157 1.00 25.30 N ATOM 721 CD2 HIS A 48 -2.242 -16.270 9.603 1.00 71.40 C ATOM 722 CE1 HIS A 48 -3.521 -17.790 10.527 1.00 22.30 C ATOM 723 NE2 HIS A 48 -3.475 -16.870 9.581 1.00 52.10 N ATOM 0 H HIS A 48 -0.338 -14.160 11.413 1.00 70.00 H new ATOM 0 HA HIS A 48 -0.882 -16.358 13.078 1.00 24.30 H new ATOM 0 HB2 HIS A 48 0.377 -15.953 10.366 1.00 63.50 H new ATOM 0 HB3 HIS A 48 0.410 -17.545 11.099 1.00 63.50 H new ATOM 0 HD2 HIS A 48 -1.902 -15.481 8.948 1.00 71.40 H new ATOM 0 HE1 HIS A 48 -4.365 -18.426 10.748 1.00 22.30 H new ATOM 0 HE2 HIS A 48 -4.234 -16.642 8.938 1.00 52.10 H new ATOM 732 N SER A 49 2.347 -16.130 12.402 1.00 62.30 N ATOM 733 CA SER A 49 3.676 -16.420 12.926 1.00 13.20 C ATOM 734 C SER A 49 4.737 -15.590 12.211 1.00 34.10 C ATOM 735 O SER A 49 4.420 -14.770 11.353 1.00 3.32 O ATOM 736 CB SER A 49 3.991 -17.910 12.776 1.00 44.20 C ATOM 737 OG SER A 49 3.516 -18.650 13.890 1.00 54.00 O ATOM 0 H SER A 49 2.338 -15.792 11.440 1.00 62.30 H new ATOM 0 HA SER A 49 3.688 -16.157 13.984 1.00 13.20 H new ATOM 0 HB2 SER A 49 3.535 -18.291 11.862 1.00 44.20 H new ATOM 0 HB3 SER A 49 5.068 -18.049 12.676 1.00 44.20 H new ATOM 0 HG SER A 49 2.723 -18.210 14.261 1.00 54.00 H new ATOM 743 N ASP A 50 5.997 -15.810 12.570 1.00 4.43 N ATOM 744 CA ASP A 50 7.105 -15.090 11.962 1.00 41.00 C ATOM 745 C ASP A 50 7.158 -15.330 10.458 1.00 1.23 C ATOM 746 O ASP A 50 7.489 -14.430 9.683 1.00 10.10 O ATOM 747 CB ASP A 50 8.429 -15.500 12.606 1.00 11.00 C ATOM 748 CG ASP A 50 9.398 -14.340 12.735 1.00 23.00 C ATOM 749 OD1 ASP A 50 9.293 -13.390 11.935 1.00 43.30 O ATOM 750 OD2 ASP A 50 10.261 -14.390 13.637 1.00 51.50 O ATOM 0 H ASP A 50 6.275 -16.485 13.283 1.00 4.43 H new ATOM 0 HA ASP A 50 6.944 -14.026 12.133 1.00 41.00 H new ATOM 0 HB2 ASP A 50 8.234 -15.918 13.594 1.00 11.00 H new ATOM 0 HB3 ASP A 50 8.889 -16.289 12.011 1.00 11.00 H new ATOM 755 N LYS A 51 6.830 -16.550 10.052 1.00 74.30 N ATOM 756 CA LYS A 51 6.840 -16.920 8.640 1.00 51.50 C ATOM 757 C LYS A 51 5.792 -16.130 7.866 1.00 65.30 C ATOM 758 O LYS A 51 6.077 -15.570 6.805 1.00 24.20 O ATOM 759 CB LYS A 51 6.586 -18.420 8.478 1.00 14.00 C ATOM 760 CG LYS A 51 7.301 -19.030 7.284 1.00 24.00 C ATOM 761 CD LYS A 51 8.655 -19.600 7.678 1.00 70.00 C ATOM 762 CE LYS A 51 9.696 -19.360 6.597 1.00 52.10 C ATOM 763 NZ LYS A 51 10.970 -20.070 6.882 1.00 72.30 N ATOM 0 H LYS A 51 6.553 -17.303 10.682 1.00 74.30 H new ATOM 0 HA LYS A 51 7.824 -16.682 8.236 1.00 51.50 H new ATOM 0 HB2 LYS A 51 6.905 -18.935 9.384 1.00 14.00 H new ATOM 0 HB3 LYS A 51 5.514 -18.590 8.376 1.00 14.00 H new ATOM 0 HG2 LYS A 51 6.684 -19.819 6.853 1.00 24.00 H new ATOM 0 HG3 LYS A 51 7.435 -18.272 6.512 1.00 24.00 H new ATOM 0 HD2 LYS A 51 8.986 -19.143 8.611 1.00 70.00 H new ATOM 0 HD3 LYS A 51 8.561 -20.670 7.863 1.00 70.00 H new ATOM 0 HE2 LYS A 51 9.303 -19.692 5.636 1.00 52.10 H new ATOM 0 HE3 LYS A 51 9.889 -18.291 6.511 1.00 52.10 H new ATOM 0 HZ1 LYS A 51 11.652 -19.879 6.120 1.00 72.30 H new ATOM 0 HZ2 LYS A 51 11.359 -19.735 7.787 1.00 72.30 H new ATOM 0 HZ3 LYS A 51 10.792 -21.093 6.939 1.00 72.30 H new ATOM 777 N ALA A 52 4.578 -16.080 8.404 1.00 3.15 N ATOM 778 CA ALA A 52 3.486 -15.350 7.764 1.00 13.50 C ATOM 779 C ALA A 52 3.684 -13.850 7.882 1.00 71.00 C ATOM 780 O ALA A 52 3.330 -13.090 6.977 1.00 45.20 O ATOM 781 CB ALA A 52 2.154 -15.760 8.373 1.00 62.10 C ATOM 0 H ALA A 52 4.324 -16.535 9.281 1.00 3.15 H new ATOM 0 HA ALA A 52 3.484 -15.604 6.704 1.00 13.50 H new ATOM 0 HB1 ALA A 52 1.348 -15.210 7.888 1.00 62.10 H new ATOM 0 HB2 ALA A 52 2.002 -16.830 8.228 1.00 62.10 H new ATOM 0 HB3 ALA A 52 2.157 -15.535 9.440 1.00 62.10 H new ATOM 787 N LYS A 53 4.252 -13.420 9.004 1.00 34.00 N ATOM 788 CA LYS A 53 4.497 -12.000 9.240 1.00 34.10 C ATOM 789 C LYS A 53 5.548 -11.460 8.276 1.00 15.00 C ATOM 790 O LYS A 53 5.509 -10.290 7.888 1.00 34.10 O ATOM 791 CB LYS A 53 4.949 -11.770 10.684 1.00 40.50 C ATOM 792 CG LYS A 53 3.799 -11.680 11.675 1.00 54.20 C ATOM 793 CD LYS A 53 4.288 -11.310 13.064 1.00 75.30 C ATOM 794 CE LYS A 53 4.952 -12.490 13.758 1.00 24.50 C ATOM 795 NZ LYS A 53 4.943 -12.340 15.239 1.00 54.30 N ATOM 0 H LYS A 53 4.551 -14.032 9.763 1.00 34.00 H new ATOM 0 HA LYS A 53 3.563 -11.465 9.069 1.00 34.10 H new ATOM 0 HB2 LYS A 53 5.612 -12.582 10.982 1.00 40.50 H new ATOM 0 HB3 LYS A 53 5.531 -10.850 10.731 1.00 40.50 H new ATOM 0 HG2 LYS A 53 3.079 -10.937 11.332 1.00 54.20 H new ATOM 0 HG3 LYS A 53 3.276 -12.636 11.715 1.00 54.20 H new ATOM 0 HD2 LYS A 53 4.996 -10.484 12.993 1.00 75.30 H new ATOM 0 HD3 LYS A 53 3.448 -10.960 13.664 1.00 75.30 H new ATOM 0 HE2 LYS A 53 4.436 -13.410 13.483 1.00 24.50 H new ATOM 0 HE3 LYS A 53 5.980 -12.585 13.409 1.00 24.50 H new ATOM 0 HZ1 LYS A 53 5.404 -13.164 15.674 1.00 54.30 H new ATOM 0 HZ2 LYS A 53 5.457 -11.476 15.504 1.00 54.30 H new ATOM 0 HZ3 LYS A 53 3.961 -12.275 15.575 1.00 54.30 H new ATOM 809 N GLU A 54 6.487 -12.320 7.892 1.00 43.30 N ATOM 810 CA GLU A 54 7.550 -11.930 6.972 1.00 24.10 C ATOM 811 C GLU A 54 7.029 -11.850 5.541 1.00 31.10 C ATOM 812 O GLU A 54 7.397 -10.950 4.783 1.00 40.40 O ATOM 813 CB GLU A 54 8.712 -12.920 7.052 1.00 74.10 C ATOM 814 CG GLU A 54 10.077 -12.270 6.885 1.00 23.40 C ATOM 815 CD GLU A 54 11.192 -13.290 6.750 1.00 74.50 C ATOM 816 OE1 GLU A 54 11.009 -14.280 6.005 1.00 12.40 O ATOM 817 OE2 GLU A 54 12.248 -13.100 7.390 1.00 54.40 O ATOM 0 H GLU A 54 6.533 -13.290 8.203 1.00 43.30 H new ATOM 0 HA GLU A 54 7.905 -10.942 7.265 1.00 24.10 H new ATOM 0 HB2 GLU A 54 8.677 -13.431 8.014 1.00 74.10 H new ATOM 0 HB3 GLU A 54 8.584 -13.681 6.282 1.00 74.10 H new ATOM 0 HG2 GLU A 54 10.066 -11.630 6.003 1.00 23.40 H new ATOM 0 HG3 GLU A 54 10.278 -11.628 7.743 1.00 23.40 H new ATOM 824 N SER A 55 6.171 -12.800 5.177 1.00 41.50 N ATOM 825 CA SER A 55 5.599 -12.840 3.836 1.00 63.40 C ATOM 826 C SER A 55 4.808 -11.570 3.544 1.00 1.31 C ATOM 827 O SER A 55 4.878 -11.020 2.443 1.00 44.00 O ATOM 828 CB SER A 55 4.695 -14.060 3.681 1.00 0.15 C ATOM 829 OG SER A 55 5.445 -15.210 3.318 1.00 25.50 O ATOM 0 H SER A 55 5.858 -13.551 5.792 1.00 41.50 H new ATOM 0 HA SER A 55 6.419 -12.910 3.121 1.00 63.40 H new ATOM 0 HB2 SER A 55 4.167 -14.247 4.616 1.00 0.15 H new ATOM 0 HB3 SER A 55 3.938 -13.861 2.922 1.00 0.15 H new ATOM 0 HG SER A 55 4.843 -15.978 3.227 1.00 25.50 H new ATOM 835 N ILE A 56 4.057 -11.100 4.537 1.00 1.51 N ATOM 836 CA ILE A 56 3.254 -9.900 4.386 1.00 25.10 C ATOM 837 C ILE A 56 4.126 -8.651 4.432 1.00 64.20 C ATOM 838 O ILE A 56 3.894 -7.691 3.697 1.00 62.30 O ATOM 839 CB ILE A 56 2.176 -9.801 5.482 1.00 11.40 C ATOM 840 CG1 ILE A 56 1.396 -11.110 5.583 1.00 54.30 C ATOM 841 CG2 ILE A 56 1.234 -8.640 5.197 1.00 24.10 C ATOM 842 CD1 ILE A 56 0.631 -11.260 6.879 1.00 44.10 C ATOM 0 H ILE A 56 3.991 -11.537 5.456 1.00 1.51 H new ATOM 0 HA ILE A 56 2.765 -9.966 3.414 1.00 25.10 H new ATOM 0 HB ILE A 56 2.669 -9.619 6.437 1.00 11.40 H new ATOM 0 HG12 ILE A 56 0.697 -11.172 4.749 1.00 54.30 H new ATOM 0 HG13 ILE A 56 2.089 -11.945 5.481 1.00 54.30 H new ATOM 0 HG21 ILE A 56 0.478 -8.584 5.981 1.00 24.10 H new ATOM 0 HG22 ILE A 56 1.801 -7.709 5.172 1.00 24.10 H new ATOM 0 HG23 ILE A 56 0.747 -8.794 4.234 1.00 24.10 H new ATOM 0 HD11 ILE A 56 0.101 -12.213 6.881 1.00 44.10 H new ATOM 0 HD12 ILE A 56 1.327 -11.230 7.718 1.00 44.10 H new ATOM 0 HD13 ILE A 56 -0.087 -10.445 6.974 1.00 44.10 H new ATOM 854 N ARG A 57 5.132 -8.669 5.301 1.00 75.10 N ATOM 855 CA ARG A 57 6.040 -7.538 5.443 1.00 25.40 C ATOM 856 C ARG A 57 6.766 -7.255 4.131 1.00 2.24 C ATOM 857 O ARG A 57 6.705 -6.145 3.603 1.00 35.20 O ATOM 858 CB ARG A 57 7.055 -7.808 6.557 1.00 35.30 C ATOM 859 CG ARG A 57 6.890 -6.897 7.763 1.00 73.20 C ATOM 860 CD ARG A 57 7.281 -7.600 9.054 1.00 40.10 C ATOM 861 NE ARG A 57 8.519 -7.065 9.616 1.00 0.31 N ATOM 862 CZ ARG A 57 9.734 -7.394 9.182 1.00 12.00 C ATOM 863 NH1 ARG A 57 9.879 -8.256 8.184 1.00 62.40 N ATOM 864 NH2 ARG A 57 10.807 -6.860 9.750 1.00 72.10 N ATOM 0 H ARG A 57 5.338 -9.455 5.917 1.00 75.10 H new ATOM 0 HA ARG A 57 5.450 -6.660 5.706 1.00 25.40 H new ATOM 0 HB2 ARG A 57 6.961 -8.845 6.880 1.00 35.30 H new ATOM 0 HB3 ARG A 57 8.062 -7.689 6.157 1.00 35.30 H new ATOM 0 HG2 ARG A 57 7.504 -6.006 7.633 1.00 73.20 H new ATOM 0 HG3 ARG A 57 5.854 -6.564 7.829 1.00 73.20 H new ATOM 0 HD2 ARG A 57 6.477 -7.494 9.782 1.00 40.10 H new ATOM 0 HD3 ARG A 57 7.400 -8.667 8.864 1.00 40.10 H new ATOM 0 HE ARG A 57 8.448 -6.400 10.386 1.00 0.31 H new ATOM 0 HH11 ARG A 57 9.057 -8.671 7.745 1.00 62.40 H new ATOM 0 HH12 ARG A 57 10.812 -8.504 7.856 1.00 62.40 H new ATOM 0 HH21 ARG A 57 10.701 -6.198 10.519 1.00 72.10 H new ATOM 0 HH22 ARG A 57 11.738 -7.111 9.418 1.00 72.10 H new ATOM 878 N ALA A 58 7.451 -8.268 3.609 1.00 65.40 N ATOM 879 CA ALA A 58 8.188 -8.129 2.358 1.00 30.20 C ATOM 880 C ALA A 58 7.268 -7.685 1.226 1.00 4.54 C ATOM 881 O ALA A 58 7.646 -6.862 0.392 1.00 23.20 O ATOM 882 CB ALA A 58 8.872 -9.440 2.001 1.00 62.40 C ATOM 0 H ALA A 58 7.511 -9.194 4.033 1.00 65.40 H new ATOM 0 HA ALA A 58 8.949 -7.360 2.496 1.00 30.20 H new ATOM 0 HB1 ALA A 58 9.418 -9.322 1.065 1.00 62.40 H new ATOM 0 HB2 ALA A 58 9.566 -9.716 2.795 1.00 62.40 H new ATOM 0 HB3 ALA A 58 8.122 -10.223 1.887 1.00 62.40 H new ATOM 888 N LYS A 59 6.058 -8.234 1.205 1.00 41.20 N ATOM 889 CA LYS A 59 5.082 -7.893 0.176 1.00 24.30 C ATOM 890 C LYS A 59 4.596 -6.457 0.344 1.00 13.30 C ATOM 891 O LYS A 59 4.247 -5.791 -0.630 1.00 43.40 O ATOM 892 CB LYS A 59 3.895 -8.856 0.230 1.00 32.10 C ATOM 893 CG LYS A 59 3.323 -9.193 -1.137 1.00 32.30 C ATOM 894 CD LYS A 59 2.780 -10.610 -1.179 1.00 14.30 C ATOM 895 CE LYS A 59 2.162 -10.930 -2.530 1.00 5.02 C ATOM 896 NZ LYS A 59 2.416 -12.340 -2.937 1.00 1.04 N ATOM 0 H LYS A 59 5.730 -8.917 1.888 1.00 41.20 H new ATOM 0 HA LYS A 59 5.568 -7.982 -0.796 1.00 24.30 H new ATOM 0 HB2 LYS A 59 4.207 -9.778 0.721 1.00 32.10 H new ATOM 0 HB3 LYS A 59 3.109 -8.417 0.845 1.00 32.10 H new ATOM 0 HG2 LYS A 59 2.527 -8.490 -1.383 1.00 32.30 H new ATOM 0 HG3 LYS A 59 4.097 -9.076 -1.895 1.00 32.30 H new ATOM 0 HD2 LYS A 59 3.584 -11.315 -0.969 1.00 14.30 H new ATOM 0 HD3 LYS A 59 2.032 -10.738 -0.396 1.00 14.30 H new ATOM 0 HE2 LYS A 59 1.087 -10.752 -2.489 1.00 5.02 H new ATOM 0 HE3 LYS A 59 2.568 -10.256 -3.284 1.00 5.02 H new ATOM 0 HZ1 LYS A 59 1.978 -12.518 -3.863 1.00 1.04 H new ATOM 0 HZ2 LYS A 59 3.441 -12.504 -3.001 1.00 1.04 H new ATOM 0 HZ3 LYS A 59 2.006 -12.984 -2.231 1.00 1.04 H new ATOM 910 N CYS A 60 4.577 -5.986 1.587 1.00 71.20 N ATOM 911 CA CYS A 60 4.134 -4.628 1.883 1.00 23.20 C ATOM 912 C CYS A 60 5.194 -3.610 1.476 1.00 74.50 C ATOM 913 O CYS A 60 4.875 -2.550 0.937 1.00 11.00 O ATOM 914 CB CYS A 60 3.819 -4.485 3.373 1.00 24.10 C ATOM 915 SG CYS A 60 2.267 -5.263 3.877 1.00 52.00 S ATOM 0 H CYS A 60 4.863 -6.524 2.405 1.00 71.20 H new ATOM 0 HA CYS A 60 3.229 -4.434 1.307 1.00 23.20 H new ATOM 0 HB2 CYS A 60 4.635 -4.920 3.949 1.00 24.10 H new ATOM 0 HB3 CYS A 60 3.781 -3.425 3.625 1.00 24.10 H new ATOM 0 HG CYS A 60 2.342 -6.546 3.683 1.00 52.00 H new ATOM 921 N VAL A 61 6.455 -3.938 1.736 1.00 43.30 N ATOM 922 CA VAL A 61 7.562 -3.052 1.396 1.00 51.30 C ATOM 923 C VAL A 61 7.589 -2.756 -0.100 1.00 61.20 C ATOM 924 O VAL A 61 7.787 -1.613 -0.513 1.00 4.21 O ATOM 925 CB VAL A 61 8.916 -3.657 1.812 1.00 12.10 C ATOM 926 CG1 VAL A 61 10.033 -2.641 1.631 1.00 31.20 C ATOM 927 CG2 VAL A 61 8.861 -4.152 3.250 1.00 72.10 C ATOM 0 H VAL A 61 6.736 -4.812 2.181 1.00 43.30 H new ATOM 0 HA VAL A 61 7.404 -2.124 1.946 1.00 51.30 H new ATOM 0 HB VAL A 61 9.126 -4.510 1.167 1.00 12.10 H new ATOM 0 HG11 VAL A 61 10.982 -3.086 1.930 1.00 31.20 H new ATOM 0 HG12 VAL A 61 10.086 -2.342 0.584 1.00 31.20 H new ATOM 0 HG13 VAL A 61 9.832 -1.766 2.249 1.00 31.20 H new ATOM 0 HG21 VAL A 61 9.826 -4.576 3.526 1.00 72.10 H new ATOM 0 HG22 VAL A 61 8.628 -3.319 3.913 1.00 72.10 H new ATOM 0 HG23 VAL A 61 8.089 -4.916 3.342 1.00 72.10 H new ATOM 937 N GLN A 62 7.389 -3.793 -0.907 1.00 14.40 N ATOM 938 CA GLN A 62 7.390 -3.643 -2.357 1.00 11.50 C ATOM 939 C GLN A 62 6.172 -2.851 -2.823 1.00 41.40 C ATOM 940 O GLN A 62 6.250 -2.078 -3.778 1.00 51.20 O ATOM 941 CB GLN A 62 7.408 -5.016 -3.032 1.00 64.30 C ATOM 942 CG GLN A 62 8.230 -5.054 -4.310 1.00 35.10 C ATOM 943 CD GLN A 62 9.619 -5.621 -4.094 1.00 10.30 C ATOM 944 OE1 GLN A 62 10.537 -4.907 -3.689 1.00 44.10 O ATOM 945 NE2 GLN A 62 9.781 -6.911 -4.364 1.00 61.30 N ATOM 0 H GLN A 62 7.224 -4.745 -0.581 1.00 14.40 H new ATOM 0 HA GLN A 62 8.288 -3.094 -2.640 1.00 11.50 H new ATOM 0 HB2 GLN A 62 7.806 -5.751 -2.332 1.00 64.30 H new ATOM 0 HB3 GLN A 62 6.384 -5.314 -3.259 1.00 64.30 H new ATOM 0 HG2 GLN A 62 7.708 -5.655 -5.055 1.00 35.10 H new ATOM 0 HG3 GLN A 62 8.312 -4.045 -4.715 1.00 35.10 H new ATOM 0 HE21 GLN A 62 8.992 -7.465 -4.698 1.00 61.30 H new ATOM 0 HE22 GLN A 62 10.694 -7.348 -4.238 1.00 61.30 H new ATOM 954 N TYR A 63 5.048 -3.049 -2.142 1.00 31.40 N ATOM 955 CA TYR A 63 3.814 -2.353 -2.486 1.00 42.20 C ATOM 956 C TYR A 63 3.928 -0.862 -2.183 1.00 31.20 C ATOM 957 O TYR A 63 3.355 -0.030 -2.886 1.00 72.40 O ATOM 958 CB TYR A 63 2.635 -2.952 -1.718 1.00 72.10 C ATOM 959 CG TYR A 63 2.036 -4.171 -2.381 1.00 61.50 C ATOM 960 CD1 TYR A 63 1.774 -4.185 -3.746 1.00 42.40 C ATOM 961 CD2 TYR A 63 1.731 -5.308 -1.644 1.00 60.20 C ATOM 962 CE1 TYR A 63 1.226 -5.297 -4.356 1.00 51.50 C ATOM 963 CE2 TYR A 63 1.184 -6.425 -2.247 1.00 72.30 C ATOM 964 CZ TYR A 63 0.933 -6.414 -3.603 1.00 51.50 C ATOM 965 OH TYR A 63 0.388 -7.523 -4.207 1.00 24.30 O ATOM 0 H TYR A 63 4.967 -3.685 -1.349 1.00 31.40 H new ATOM 0 HA TYR A 63 3.643 -2.476 -3.555 1.00 42.20 H new ATOM 0 HB2 TYR A 63 2.965 -3.220 -0.714 1.00 72.10 H new ATOM 0 HB3 TYR A 63 1.861 -2.192 -1.607 1.00 72.10 H new ATOM 0 HD1 TYR A 63 2.003 -3.312 -4.340 1.00 42.40 H new ATOM 0 HD2 TYR A 63 1.925 -5.320 -0.582 1.00 60.20 H new ATOM 0 HE1 TYR A 63 1.028 -5.291 -5.418 1.00 51.50 H new ATOM 0 HE2 TYR A 63 0.954 -7.302 -1.659 1.00 72.30 H new ATOM 0 HH TYR A 63 0.243 -8.223 -3.536 1.00 24.30 H new ATOM 975 N LEU A 64 4.673 -0.532 -1.133 1.00 72.50 N ATOM 976 CA LEU A 64 4.863 0.858 -0.737 1.00 32.10 C ATOM 977 C LEU A 64 5.677 1.614 -1.782 1.00 0.41 C ATOM 978 O LEU A 64 5.372 2.761 -2.111 1.00 53.10 O ATOM 979 CB LEU A 64 5.561 0.933 0.622 1.00 11.20 C ATOM 980 CG LEU A 64 5.123 2.097 1.512 1.00 2.00 C ATOM 981 CD1 LEU A 64 5.204 1.707 2.979 1.00 11.40 C ATOM 982 CD2 LEU A 64 5.975 3.327 1.237 1.00 5.54 C ATOM 0 H LEU A 64 5.155 -1.209 -0.541 1.00 72.50 H new ATOM 0 HA LEU A 64 3.881 1.325 -0.659 1.00 32.10 H new ATOM 0 HB2 LEU A 64 5.383 -0.000 1.157 1.00 11.20 H new ATOM 0 HB3 LEU A 64 6.636 1.006 0.458 1.00 11.20 H new ATOM 0 HG LEU A 64 4.086 2.338 1.279 1.00 2.00 H new ATOM 0 HD11 LEU A 64 4.889 2.548 3.597 1.00 11.40 H new ATOM 0 HD12 LEU A 64 4.551 0.854 3.165 1.00 11.40 H new ATOM 0 HD13 LEU A 64 6.231 1.439 3.228 1.00 11.40 H new ATOM 0 HD21 LEU A 64 5.650 4.146 1.879 1.00 5.54 H new ATOM 0 HD22 LEU A 64 7.021 3.098 1.442 1.00 5.54 H new ATOM 0 HD23 LEU A 64 5.866 3.619 0.193 1.00 5.54 H new ATOM 994 N ASP A 65 6.713 0.964 -2.302 1.00 51.40 N ATOM 995 CA ASP A 65 7.571 1.575 -3.310 1.00 40.50 C ATOM 996 C ASP A 65 6.772 1.933 -4.559 1.00 32.10 C ATOM 997 O ASP A 65 6.934 3.016 -5.122 1.00 12.00 O ATOM 998 CB ASP A 65 8.716 0.629 -3.677 1.00 31.40 C ATOM 999 CG ASP A 65 9.885 0.736 -2.717 1.00 75.20 C ATOM 1000 OD1 ASP A 65 9.643 0.828 -1.495 1.00 44.50 O ATOM 1001 OD2 ASP A 65 11.042 0.729 -3.187 1.00 13.10 O ATOM 0 H ASP A 65 6.979 0.014 -2.042 1.00 51.40 H new ATOM 0 HA ASP A 65 7.986 2.491 -2.891 1.00 40.50 H new ATOM 0 HB2 ASP A 65 8.348 -0.397 -3.684 1.00 31.40 H new ATOM 0 HB3 ASP A 65 9.058 0.852 -4.688 1.00 31.40 H new ATOM 1006 N ARG A 66 5.910 1.017 -4.987 1.00 22.50 N ATOM 1007 CA ARG A 66 5.085 1.237 -6.169 1.00 70.20 C ATOM 1008 C ARG A 66 4.129 2.405 -5.955 1.00 2.02 C ATOM 1009 O ARG A 66 3.806 3.135 -6.892 1.00 15.40 O ATOM 1010 CB ARG A 66 4.296 -0.029 -6.508 1.00 44.20 C ATOM 1011 CG ARG A 66 5.044 -0.987 -7.420 1.00 21.40 C ATOM 1012 CD ARG A 66 4.909 -0.585 -8.880 1.00 0.13 C ATOM 1013 NE ARG A 66 3.861 -1.341 -9.562 1.00 45.50 N ATOM 1014 CZ ARG A 66 4.013 -2.589 -10.000 1.00 4.21 C ATOM 1015 NH1 ARG A 66 5.166 -3.223 -9.832 1.00 2.50 N ATOM 1016 NH2 ARG A 66 3.008 -3.204 -10.610 1.00 71.00 N ATOM 0 H ARG A 66 5.765 0.115 -4.533 1.00 22.50 H new ATOM 0 HA ARG A 66 5.744 1.480 -7.002 1.00 70.20 H new ATOM 0 HB2 ARG A 66 4.040 -0.546 -5.583 1.00 44.20 H new ATOM 0 HB3 ARG A 66 3.358 0.255 -6.984 1.00 44.20 H new ATOM 0 HG2 ARG A 66 6.098 -1.007 -7.143 1.00 21.40 H new ATOM 0 HG3 ARG A 66 4.659 -1.997 -7.282 1.00 21.40 H new ATOM 0 HD2 ARG A 66 4.687 0.480 -8.944 1.00 0.13 H new ATOM 0 HD3 ARG A 66 5.860 -0.743 -9.389 1.00 0.13 H new ATOM 0 HE ARG A 66 2.960 -0.886 -9.711 1.00 45.50 H new ATOM 0 HH11 ARG A 66 5.942 -2.754 -9.365 1.00 2.50 H new ATOM 0 HH12 ARG A 66 5.276 -4.179 -10.170 1.00 2.50 H new ATOM 0 HH21 ARG A 66 2.120 -2.721 -10.743 1.00 71.00 H new ATOM 0 HH22 ARG A 66 3.124 -4.160 -10.946 1.00 71.00 H new ATOM 1030 N ALA A 67 3.680 2.576 -4.716 1.00 52.30 N ATOM 1031 CA ALA A 67 2.760 3.656 -4.380 1.00 1.34 C ATOM 1032 C ALA A 67 3.377 5.017 -4.684 1.00 72.20 C ATOM 1033 O ALA A 67 2.790 5.829 -5.400 1.00 71.40 O ATOM 1034 CB ALA A 67 2.362 3.572 -2.914 1.00 43.40 C ATOM 0 H ALA A 67 3.938 1.981 -3.929 1.00 52.30 H new ATOM 0 HA ALA A 67 1.867 3.545 -4.996 1.00 1.34 H new ATOM 0 HB1 ALA A 67 1.675 4.384 -2.676 1.00 43.40 H new ATOM 0 HB2 ALA A 67 1.874 2.616 -2.724 1.00 43.40 H new ATOM 0 HB3 ALA A 67 3.252 3.655 -2.290 1.00 43.40 H new ATOM 1040 N GLU A 68 4.563 5.260 -4.137 1.00 20.10 N ATOM 1041 CA GLU A 68 5.260 6.524 -4.350 1.00 12.00 C ATOM 1042 C GLU A 68 5.525 6.755 -5.834 1.00 55.30 C ATOM 1043 O GLU A 68 5.558 7.894 -6.299 1.00 14.30 O ATOM 1044 CB GLU A 68 6.578 6.541 -3.575 1.00 64.00 C ATOM 1045 CG GLU A 68 7.542 5.441 -3.990 1.00 45.40 C ATOM 1046 CD GLU A 68 8.980 5.761 -3.633 1.00 41.50 C ATOM 1047 OE1 GLU A 68 9.227 6.183 -2.483 1.00 41.20 O ATOM 1048 OE2 GLU A 68 9.860 5.590 -4.503 1.00 55.20 O ATOM 0 H GLU A 68 5.062 4.598 -3.543 1.00 20.10 H new ATOM 0 HA GLU A 68 4.622 7.328 -3.984 1.00 12.00 H new ATOM 0 HB2 GLU A 68 7.061 7.508 -3.716 1.00 64.00 H new ATOM 0 HB3 GLU A 68 6.365 6.444 -2.510 1.00 64.00 H new ATOM 0 HG2 GLU A 68 7.251 4.507 -3.509 1.00 45.40 H new ATOM 0 HG3 GLU A 68 7.465 5.282 -5.066 1.00 45.40 H new ATOM 1055 N LYS A 69 5.714 5.666 -6.573 1.00 0.13 N ATOM 1056 CA LYS A 69 5.977 5.751 -8.005 1.00 21.30 C ATOM 1057 C LYS A 69 4.751 6.264 -8.754 1.00 35.30 C ATOM 1058 O LYS A 69 4.873 6.934 -9.779 1.00 32.10 O ATOM 1059 CB LYS A 69 6.386 4.382 -8.552 1.00 71.20 C ATOM 1060 CG LYS A 69 6.881 4.424 -9.988 1.00 13.30 C ATOM 1061 CD LYS A 69 7.945 3.368 -10.240 1.00 11.40 C ATOM 1062 CE LYS A 69 7.938 2.906 -11.690 1.00 41.40 C ATOM 1063 NZ LYS A 69 6.982 1.786 -11.910 1.00 1.24 N ATOM 0 H LYS A 69 5.690 4.715 -6.204 1.00 0.13 H new ATOM 0 HA LYS A 69 6.795 6.455 -8.157 1.00 21.30 H new ATOM 0 HB2 LYS A 69 7.169 3.966 -7.918 1.00 71.20 H new ATOM 0 HB3 LYS A 69 5.533 3.706 -8.490 1.00 71.20 H new ATOM 0 HG2 LYS A 69 6.043 4.268 -10.668 1.00 13.30 H new ATOM 0 HG3 LYS A 69 7.288 5.412 -10.205 1.00 13.30 H new ATOM 0 HD2 LYS A 69 8.926 3.771 -9.990 1.00 11.40 H new ATOM 0 HD3 LYS A 69 7.775 2.514 -9.584 1.00 11.40 H new ATOM 0 HE2 LYS A 69 7.673 3.742 -12.336 1.00 41.40 H new ATOM 0 HE3 LYS A 69 8.941 2.589 -11.975 1.00 41.40 H new ATOM 0 HZ1 LYS A 69 7.007 1.500 -12.910 1.00 1.24 H new ATOM 0 HZ2 LYS A 69 7.250 0.978 -11.312 1.00 1.24 H new ATOM 0 HZ3 LYS A 69 6.021 2.096 -11.662 1.00 1.24 H new ATOM 1077 N LEU A 70 3.570 5.945 -8.234 1.00 12.20 N ATOM 1078 CA LEU A 70 2.321 6.374 -8.854 1.00 20.30 C ATOM 1079 C LEU A 70 2.020 7.830 -8.517 1.00 53.00 C ATOM 1080 O LEU A 70 1.707 8.630 -9.399 1.00 60.30 O ATOM 1081 CB LEU A 70 1.166 5.482 -8.393 1.00 51.50 C ATOM 1082 CG LEU A 70 1.276 4.014 -8.808 1.00 33.10 C ATOM 1083 CD1 LEU A 70 0.046 3.240 -8.361 1.00 14.20 C ATOM 1084 CD2 LEU A 70 1.462 3.899 -10.310 1.00 22.30 C ATOM 0 H LEU A 70 3.452 5.391 -7.386 1.00 12.20 H new ATOM 0 HA LEU A 70 2.431 6.285 -9.935 1.00 20.30 H new ATOM 0 HB2 LEU A 70 1.100 5.532 -7.306 1.00 51.50 H new ATOM 0 HB3 LEU A 70 0.234 5.887 -8.788 1.00 51.50 H new ATOM 0 HG LEU A 70 2.149 3.582 -8.319 1.00 33.10 H new ATOM 0 HD11 LEU A 70 0.142 2.198 -8.665 1.00 14.20 H new ATOM 0 HD12 LEU A 70 -0.044 3.295 -7.276 1.00 14.20 H new ATOM 0 HD13 LEU A 70 -0.843 3.672 -8.821 1.00 14.20 H new ATOM 0 HD21 LEU A 70 1.538 2.848 -10.588 1.00 22.30 H new ATOM 0 HD22 LEU A 70 0.608 4.347 -10.818 1.00 22.30 H new ATOM 0 HD23 LEU A 70 2.373 4.419 -10.605 1.00 22.30 H new ATOM 1096 N LYS A 71 2.117 8.169 -7.236 1.00 11.30 N ATOM 1097 CA LYS A 71 1.854 9.530 -6.782 1.00 41.40 C ATOM 1098 C LYS A 71 2.892 10.498 -7.341 1.00 1.35 C ATOM 1099 O LYS A 71 2.587 11.659 -7.616 1.00 13.40 O ATOM 1100 CB LYS A 71 1.854 9.590 -5.254 1.00 64.20 C ATOM 1101 CG LYS A 71 1.055 10.753 -4.691 1.00 42.10 C ATOM 1102 CD LYS A 71 1.891 12.021 -4.621 1.00 41.20 C ATOM 1103 CE LYS A 71 1.497 12.884 -3.433 1.00 51.10 C ATOM 1104 NZ LYS A 71 1.827 14.319 -3.655 1.00 3.05 N ATOM 0 H LYS A 71 2.376 7.520 -6.493 1.00 11.30 H new ATOM 0 HA LYS A 71 0.871 9.826 -7.149 1.00 41.40 H new ATOM 0 HB2 LYS A 71 1.448 8.658 -4.862 1.00 64.20 H new ATOM 0 HB3 LYS A 71 2.883 9.663 -4.902 1.00 64.20 H new ATOM 0 HG2 LYS A 71 0.178 10.928 -5.314 1.00 42.10 H new ATOM 0 HG3 LYS A 71 0.693 10.499 -3.695 1.00 42.10 H new ATOM 0 HD2 LYS A 71 2.946 11.758 -4.547 1.00 41.20 H new ATOM 0 HD3 LYS A 71 1.768 12.590 -5.542 1.00 41.20 H new ATOM 0 HE2 LYS A 71 0.428 12.782 -3.249 1.00 51.10 H new ATOM 0 HE3 LYS A 71 2.010 12.528 -2.540 1.00 51.10 H new ATOM 0 HZ1 LYS A 71 1.543 14.873 -2.822 1.00 3.05 H new ATOM 0 HZ2 LYS A 71 2.851 14.420 -3.805 1.00 3.05 H new ATOM 0 HZ3 LYS A 71 1.318 14.667 -4.493 1.00 3.05 H new ATOM 1118 N ASP A 72 4.118 10.014 -7.505 1.00 32.30 N ATOM 1119 CA ASP A 72 5.201 10.837 -8.031 1.00 42.30 C ATOM 1120 C ASP A 72 5.094 10.974 -9.547 1.00 41.00 C ATOM 1121 O ASP A 72 5.482 11.994 -10.110 1.00 60.40 O ATOM 1122 CB ASP A 72 6.556 10.234 -7.657 1.00 2.00 C ATOM 1123 CG ASP A 72 7.692 11.226 -7.809 1.00 40.30 C ATOM 1124 OD1 ASP A 72 7.477 12.423 -7.526 1.00 71.40 O ATOM 1125 OD2 ASP A 72 8.798 10.805 -8.210 1.00 4.53 O ATOM 0 H ASP A 72 4.387 9.056 -7.281 1.00 32.30 H new ATOM 0 HA ASP A 72 5.117 11.829 -7.588 1.00 42.30 H new ATOM 0 HB2 ASP A 72 6.521 9.881 -6.626 1.00 2.00 H new ATOM 0 HB3 ASP A 72 6.750 9.365 -8.286 1.00 2.00 H new ATOM 1130 N TYR A 73 4.564 9.941 -10.190 1.00 32.40 N ATOM 1131 CA TYR A 73 4.406 9.947 -11.640 1.00 32.40 C ATOM 1132 C TYR A 73 3.508 11.097 -12.080 1.00 61.20 C ATOM 1133 O TYR A 73 3.937 11.982 -12.820 1.00 13.40 O ATOM 1134 CB TYR A 73 3.822 8.615 -12.110 1.00 11.50 C ATOM 1135 CG TYR A 73 3.659 8.525 -13.610 1.00 23.40 C ATOM 1136 CD1 TYR A 73 4.736 8.203 -14.430 1.00 63.30 C ATOM 1137 CD2 TYR A 73 2.428 8.761 -14.210 1.00 64.00 C ATOM 1138 CE1 TYR A 73 4.590 8.120 -15.800 1.00 44.20 C ATOM 1139 CE2 TYR A 73 2.275 8.680 -15.580 1.00 4.20 C ATOM 1140 CZ TYR A 73 3.359 8.359 -16.370 1.00 63.20 C ATOM 1141 OH TYR A 73 3.210 8.278 -17.740 1.00 21.50 O ATOM 0 H TYR A 73 4.237 9.090 -9.732 1.00 32.40 H new ATOM 0 HA TYR A 73 5.388 10.085 -12.093 1.00 32.40 H new ATOM 0 HB2 TYR A 73 4.469 7.805 -11.773 1.00 11.50 H new ATOM 0 HB3 TYR A 73 2.851 8.466 -11.637 1.00 11.50 H new ATOM 0 HD1 TYR A 73 5.703 8.015 -13.987 1.00 63.30 H new ATOM 0 HD2 TYR A 73 1.577 9.012 -13.595 1.00 64.00 H new ATOM 0 HE1 TYR A 73 5.437 7.869 -16.422 1.00 44.20 H new ATOM 0 HE2 TYR A 73 1.311 8.867 -16.031 1.00 4.20 H new ATOM 0 HH TYR A 73 2.280 8.473 -17.980 1.00 21.50 H new ATOM 1151 N LEU A 74 2.260 11.076 -11.630 1.00 73.20 N ATOM 1152 CA LEU A 74 1.301 12.117 -11.980 1.00 42.00 C ATOM 1153 C LEU A 74 1.719 13.462 -11.390 1.00 34.30 C ATOM 1154 O LEU A 74 1.609 14.498 -12.050 1.00 61.50 O ATOM 1155 CB LEU A 74 -0.096 11.742 -11.480 1.00 32.40 C ATOM 1156 CG LEU A 74 -0.675 10.461 -12.080 1.00 74.10 C ATOM 1157 CD1 LEU A 74 -1.837 9.955 -11.240 1.00 25.00 C ATOM 1158 CD2 LEU A 74 -1.118 10.700 -13.520 1.00 44.30 C ATOM 0 H LEU A 74 1.887 10.348 -11.021 1.00 73.20 H new ATOM 0 HA LEU A 74 1.280 12.206 -13.066 1.00 42.00 H new ATOM 0 HB2 LEU A 74 -0.060 11.634 -10.396 1.00 32.40 H new ATOM 0 HB3 LEU A 74 -0.776 12.566 -11.696 1.00 32.40 H new ATOM 0 HG LEU A 74 0.104 9.698 -12.081 1.00 74.10 H new ATOM 0 HD11 LEU A 74 -2.236 9.042 -11.683 1.00 25.00 H new ATOM 0 HD12 LEU A 74 -1.490 9.746 -10.228 1.00 25.00 H new ATOM 0 HD13 LEU A 74 -2.619 10.714 -11.206 1.00 25.00 H new ATOM 0 HD21 LEU A 74 -1.528 9.778 -13.932 1.00 44.30 H new ATOM 0 HD22 LEU A 74 -1.881 11.478 -13.542 1.00 44.30 H new ATOM 0 HD23 LEU A 74 -0.262 11.015 -14.116 1.00 44.30 H new ATOM 1170 N ARG A 75 2.198 13.438 -10.150 1.00 34.00 N ATOM 1171 CA ARG A 75 2.633 14.655 -9.483 1.00 23.40 C ATOM 1172 C ARG A 75 3.799 15.301 -10.220 1.00 31.30 C ATOM 1173 O ARG A 75 3.912 16.526 -10.270 1.00 64.20 O ATOM 1174 CB ARG A 75 3.037 14.346 -8.040 1.00 73.40 C ATOM 1175 CG ARG A 75 3.433 15.578 -7.242 1.00 62.30 C ATOM 1176 CD ARG A 75 4.541 15.267 -6.250 1.00 43.40 C ATOM 1177 NE ARG A 75 5.036 16.470 -5.585 1.00 74.50 N ATOM 1178 CZ ARG A 75 6.199 16.537 -4.943 1.00 1.32 C ATOM 1179 NH1 ARG A 75 6.990 15.473 -4.875 1.00 1.43 N ATOM 1180 NH2 ARG A 75 6.574 17.671 -4.366 1.00 41.20 N ATOM 0 H ARG A 75 2.294 12.591 -9.590 1.00 34.00 H new ATOM 0 HA ARG A 75 1.799 15.357 -9.484 1.00 23.40 H new ATOM 0 HB2 ARG A 75 2.207 13.849 -7.538 1.00 73.40 H new ATOM 0 HB3 ARG A 75 3.871 13.644 -8.047 1.00 73.40 H new ATOM 0 HG2 ARG A 75 3.762 16.363 -7.923 1.00 62.30 H new ATOM 0 HG3 ARG A 75 2.563 15.962 -6.709 1.00 62.30 H new ATOM 0 HD2 ARG A 75 4.171 14.566 -5.502 1.00 43.40 H new ATOM 0 HD3 ARG A 75 5.364 14.775 -6.769 1.00 43.40 H new ATOM 0 HE ARG A 75 4.455 17.308 -5.615 1.00 74.50 H new ATOM 0 HH11 ARG A 75 6.707 14.598 -5.316 1.00 1.43 H new ATOM 0 HH12 ARG A 75 7.881 15.530 -4.381 1.00 1.43 H new ATOM 0 HH21 ARG A 75 5.970 18.492 -4.415 1.00 41.20 H new ATOM 0 HH22 ARG A 75 7.466 17.722 -3.874 1.00 41.20 H new ATOM 1195 N GLU B 115 10.198 -3.153 9.523 1.00 54.30 N ATOM 1196 CA GLU B 115 8.813 -2.700 9.546 1.00 12.40 C ATOM 1197 C GLU B 115 8.739 -1.181 9.671 1.00 71.20 C ATOM 1198 O GLU B 115 7.813 -0.551 9.162 1.00 3.12 O ATOM 1199 CB GLU B 115 8.059 -3.356 10.704 1.00 45.00 C ATOM 1200 CG GLU B 115 6.581 -3.572 10.423 1.00 31.00 C ATOM 1201 CD GLU B 115 5.719 -3.380 11.655 1.00 5.10 C ATOM 1202 OE1 GLU B 115 5.860 -4.175 12.608 1.00 71.00 O ATOM 1203 OE2 GLU B 115 4.903 -2.434 11.668 1.00 41.00 O ATOM 0 HA GLU B 115 8.346 -2.992 8.606 1.00 12.40 H new ATOM 0 HB2 GLU B 115 8.522 -4.317 10.930 1.00 45.00 H new ATOM 0 HB3 GLU B 115 8.164 -2.735 11.593 1.00 45.00 H new ATOM 0 HG2 GLU B 115 6.258 -2.879 9.646 1.00 31.00 H new ATOM 0 HG3 GLU B 115 6.432 -4.579 10.034 1.00 31.00 H new ATOM 1210 N ASP B 116 9.721 -0.601 10.353 1.00 72.30 N ATOM 1211 CA ASP B 116 9.767 0.844 10.546 1.00 24.10 C ATOM 1212 C ASP B 116 10.072 1.560 9.234 1.00 43.50 C ATOM 1213 O ASP B 116 9.641 2.693 9.019 1.00 71.10 O ATOM 1214 CB ASP B 116 10.821 1.206 11.594 1.00 3.54 C ATOM 1215 CG ASP B 116 10.401 2.380 12.456 1.00 71.20 C ATOM 1216 OD1 ASP B 116 9.400 2.248 13.191 1.00 15.20 O ATOM 1217 OD2 ASP B 116 11.072 3.431 12.395 1.00 14.10 O ATOM 0 H ASP B 116 10.495 -1.109 10.781 1.00 72.30 H new ATOM 0 HA ASP B 116 8.788 1.169 10.897 1.00 24.10 H new ATOM 0 HB2 ASP B 116 11.009 0.341 12.230 1.00 3.54 H new ATOM 0 HB3 ASP B 116 11.760 1.444 11.094 1.00 3.54 H new ATOM 1222 N GLN B 117 10.817 0.892 8.359 1.00 42.50 N ATOM 1223 CA GLN B 117 11.179 1.466 7.068 1.00 41.50 C ATOM 1224 C GLN B 117 9.935 1.817 6.258 1.00 13.30 C ATOM 1225 O GLN B 117 9.718 2.977 5.907 1.00 25.20 O ATOM 1226 CB GLN B 117 12.055 0.490 6.280 1.00 3.43 C ATOM 1227 CG GLN B 117 13.528 0.558 6.652 1.00 52.40 C ATOM 1228 CD GLN B 117 14.275 1.626 5.879 1.00 64.20 C ATOM 1229 OE1 GLN B 117 14.562 2.702 6.403 1.00 70.20 O ATOM 1230 NE2 GLN B 117 14.595 1.334 4.623 1.00 74.20 N ATOM 0 H GLN B 117 11.182 -0.047 8.520 1.00 42.50 H new ATOM 0 HA GLN B 117 11.740 2.382 7.252 1.00 41.50 H new ATOM 0 HB2 GLN B 117 11.693 -0.525 6.446 1.00 3.43 H new ATOM 0 HB3 GLN B 117 11.948 0.697 5.215 1.00 3.43 H new ATOM 0 HG2 GLN B 117 13.621 0.756 7.720 1.00 52.40 H new ATOM 0 HG3 GLN B 117 13.991 -0.411 6.466 1.00 52.40 H new ATOM 0 HE21 GLN B 117 14.337 0.429 4.228 1.00 74.20 H new ATOM 0 HE22 GLN B 117 15.098 2.014 4.054 1.00 74.20 H new ATOM 1239 N LEU B 118 9.121 0.808 5.965 1.00 22.30 N ATOM 1240 CA LEU B 118 7.898 1.011 5.197 1.00 13.20 C ATOM 1241 C LEU B 118 6.846 1.738 6.028 1.00 41.40 C ATOM 1242 O LEU B 118 6.013 2.468 5.491 1.00 32.00 O ATOM 1243 CB LEU B 118 7.345 -0.332 4.714 1.00 51.30 C ATOM 1244 CG LEU B 118 6.854 -1.267 5.820 1.00 34.20 C ATOM 1245 CD1 LEU B 118 5.664 -2.083 5.340 1.00 73.30 C ATOM 1246 CD2 LEU B 118 7.979 -2.183 6.281 1.00 61.40 C ATOM 0 H LEU B 118 9.286 -0.158 6.248 1.00 22.30 H new ATOM 0 HA LEU B 118 8.141 1.629 4.332 1.00 13.20 H new ATOM 0 HB2 LEU B 118 6.520 -0.142 4.028 1.00 51.30 H new ATOM 0 HB3 LEU B 118 8.121 -0.844 4.145 1.00 51.30 H new ATOM 0 HG LEU B 118 6.534 -0.660 6.667 1.00 34.20 H new ATOM 0 HD11 LEU B 118 5.328 -2.742 6.140 1.00 73.30 H new ATOM 0 HD12 LEU B 118 4.852 -1.412 5.058 1.00 73.30 H new ATOM 0 HD13 LEU B 118 5.957 -2.680 4.477 1.00 73.30 H new ATOM 0 HD21 LEU B 118 7.612 -2.842 7.068 1.00 61.40 H new ATOM 0 HD22 LEU B 118 8.328 -2.782 5.440 1.00 61.40 H new ATOM 0 HD23 LEU B 118 8.803 -1.582 6.665 1.00 61.40 H new ATOM 1258 N SER B 119 6.891 1.536 7.341 1.00 63.20 N ATOM 1259 CA SER B 119 5.941 2.173 8.245 1.00 42.50 C ATOM 1260 C SER B 119 6.053 3.693 8.169 1.00 32.50 C ATOM 1261 O SER B 119 5.046 4.396 8.086 1.00 43.20 O ATOM 1262 CB SER B 119 6.178 1.704 9.681 1.00 54.20 C ATOM 1263 OG SER B 119 5.309 2.365 10.585 1.00 54.30 O ATOM 0 H SER B 119 7.575 0.936 7.802 1.00 63.20 H new ATOM 0 HA SER B 119 4.936 1.885 7.937 1.00 42.50 H new ATOM 0 HB2 SER B 119 6.023 0.627 9.745 1.00 54.20 H new ATOM 0 HB3 SER B 119 7.214 1.894 9.963 1.00 54.20 H new ATOM 0 HG SER B 119 5.480 2.046 11.496 1.00 54.30 H new ATOM 1269 N ARG B 120 7.284 4.192 8.199 1.00 0.20 N ATOM 1270 CA ARG B 120 7.528 5.628 8.133 1.00 71.10 C ATOM 1271 C ARG B 120 7.183 6.176 6.752 1.00 25.20 C ATOM 1272 O ARG B 120 6.602 7.255 6.630 1.00 61.00 O ATOM 1273 CB ARG B 120 8.990 5.934 8.464 1.00 44.00 C ATOM 1274 CG ARG B 120 9.245 6.152 9.947 1.00 23.30 C ATOM 1275 CD ARG B 120 10.724 6.353 10.234 1.00 40.50 C ATOM 1276 NE ARG B 120 11.228 7.601 9.664 1.00 12.10 N ATOM 1277 CZ ARG B 120 12.521 7.900 9.561 1.00 20.40 C ATOM 1278 NH1 ARG B 120 13.443 7.045 9.987 1.00 1.22 N ATOM 1279 NH2 ARG B 120 12.893 9.056 9.030 1.00 75.40 N ATOM 0 H ARG B 120 8.128 3.623 8.269 1.00 0.20 H new ATOM 0 HA ARG B 120 6.886 6.114 8.868 1.00 71.10 H new ATOM 0 HB2 ARG B 120 9.613 5.111 8.114 1.00 44.00 H new ATOM 0 HB3 ARG B 120 9.299 6.824 7.916 1.00 44.00 H new ATOM 0 HG2 ARG B 120 8.685 7.022 10.289 1.00 23.30 H new ATOM 0 HG3 ARG B 120 8.877 5.295 10.510 1.00 23.30 H new ATOM 0 HD2 ARG B 120 10.887 6.355 11.312 1.00 40.50 H new ATOM 0 HD3 ARG B 120 11.289 5.514 9.827 1.00 40.50 H new ATOM 0 HE ARG B 120 10.549 8.283 9.325 1.00 12.10 H new ATOM 0 HH11 ARG B 120 13.162 6.154 10.396 1.00 1.22 H new ATOM 0 HH12 ARG B 120 14.432 7.279 9.906 1.00 1.22 H new ATOM 0 HH21 ARG B 120 12.189 9.716 8.701 1.00 75.40 H new ATOM 0 HH22 ARG B 120 13.884 9.286 8.951 1.00 75.40 H new ATOM 1293 N ARG B 121 7.543 5.427 5.716 1.00 14.20 N ATOM 1294 CA ARG B 121 7.271 5.838 4.344 1.00 64.20 C ATOM 1295 C ARG B 121 5.772 5.997 4.111 1.00 64.10 C ATOM 1296 O ARG B 121 5.332 6.948 3.464 1.00 51.00 O ATOM 1297 CB ARG B 121 7.845 4.817 3.360 1.00 71.30 C ATOM 1298 CG ARG B 121 9.361 4.861 3.254 1.00 54.40 C ATOM 1299 CD ARG B 121 9.929 3.515 2.833 1.00 10.10 C ATOM 1300 NE ARG B 121 11.073 3.660 1.936 1.00 13.10 N ATOM 1301 CZ ARG B 121 11.611 2.652 1.252 1.00 40.10 C ATOM 1302 NH1 ARG B 121 11.113 1.426 1.361 1.00 35.40 N ATOM 1303 NH2 ARG B 121 12.650 2.871 0.458 1.00 64.30 N ATOM 0 H ARG B 121 8.024 4.532 5.800 1.00 14.20 H new ATOM 0 HA ARG B 121 7.751 6.802 4.178 1.00 64.20 H new ATOM 0 HB2 ARG B 121 7.539 3.817 3.667 1.00 71.30 H new ATOM 0 HB3 ARG B 121 7.415 4.993 2.374 1.00 71.30 H new ATOM 0 HG2 ARG B 121 9.654 5.623 2.532 1.00 54.40 H new ATOM 0 HG3 ARG B 121 9.786 5.152 4.215 1.00 54.40 H new ATOM 0 HD2 ARG B 121 10.231 2.956 3.719 1.00 10.10 H new ATOM 0 HD3 ARG B 121 9.152 2.932 2.338 1.00 10.10 H new ATOM 0 HE ARG B 121 11.484 4.587 1.827 1.00 13.10 H new ATOM 0 HH11 ARG B 121 10.314 1.252 1.971 1.00 35.40 H new ATOM 0 HH12 ARG B 121 11.529 0.658 0.835 1.00 35.40 H new ATOM 0 HH21 ARG B 121 13.037 3.811 0.371 1.00 64.30 H new ATOM 0 HH22 ARG B 121 13.063 2.100 -0.066 1.00 64.30 H new ATOM 1317 N LEU B 122 4.993 5.061 4.642 1.00 63.20 N ATOM 1318 CA LEU B 122 3.543 5.098 4.493 1.00 32.40 C ATOM 1319 C LEU B 122 2.965 6.370 5.104 1.00 31.30 C ATOM 1320 O LEU B 122 2.120 7.033 4.501 1.00 53.10 O ATOM 1321 CB LEU B 122 2.909 3.870 5.149 1.00 15.00 C ATOM 1322 CG LEU B 122 1.665 3.328 4.444 1.00 24.20 C ATOM 1323 CD1 LEU B 122 1.258 1.987 5.036 1.00 24.30 C ATOM 1324 CD2 LEU B 122 0.521 4.325 4.542 1.00 60.50 C ATOM 0 H LEU B 122 5.342 4.267 5.180 1.00 63.20 H new ATOM 0 HA LEU B 122 3.313 5.091 3.428 1.00 32.40 H new ATOM 0 HB2 LEU B 122 3.655 3.077 5.197 1.00 15.00 H new ATOM 0 HB3 LEU B 122 2.645 4.122 6.176 1.00 15.00 H new ATOM 0 HG LEU B 122 1.903 3.180 3.391 1.00 24.20 H new ATOM 0 HD11 LEU B 122 0.371 1.617 4.522 1.00 24.30 H new ATOM 0 HD12 LEU B 122 2.073 1.273 4.914 1.00 24.30 H new ATOM 0 HD13 LEU B 122 1.038 2.109 6.097 1.00 24.30 H new ATOM 0 HD21 LEU B 122 -0.356 3.923 4.035 1.00 60.50 H new ATOM 0 HD22 LEU B 122 0.284 4.505 5.591 1.00 60.50 H new ATOM 0 HD23 LEU B 122 0.814 5.263 4.071 1.00 60.50 H new ATOM 1336 N ALA B 123 3.425 6.706 6.305 1.00 40.20 N ATOM 1337 CA ALA B 123 2.954 7.899 6.998 1.00 34.30 C ATOM 1338 C ALA B 123 3.243 9.156 6.184 1.00 75.00 C ATOM 1339 O ALA B 123 2.448 10.096 6.173 1.00 32.40 O ATOM 1340 CB ALA B 123 3.598 7.998 8.373 1.00 4.20 C ATOM 0 H ALA B 123 4.124 6.169 6.818 1.00 40.20 H new ATOM 0 HA ALA B 123 1.874 7.817 7.120 1.00 34.30 H new ATOM 0 HB1 ALA B 123 3.238 8.893 8.880 1.00 4.20 H new ATOM 0 HB2 ALA B 123 3.337 7.118 8.961 1.00 4.20 H new ATOM 0 HB3 ALA B 123 4.681 8.054 8.264 1.00 4.20 H new ATOM 1346 N ALA B 124 4.385 9.165 5.505 1.00 21.50 N ATOM 1347 CA ALA B 124 4.778 10.307 4.688 1.00 73.30 C ATOM 1348 C ALA B 124 3.995 10.343 3.380 1.00 43.20 C ATOM 1349 O ALA B 124 3.703 11.414 2.849 1.00 41.50 O ATOM 1350 CB ALA B 124 6.273 10.266 4.409 1.00 35.50 C ATOM 0 H ALA B 124 5.054 8.395 5.504 1.00 21.50 H new ATOM 0 HA ALA B 124 4.547 11.216 5.244 1.00 73.30 H new ATOM 0 HB1 ALA B 124 6.553 11.124 3.798 1.00 35.50 H new ATOM 0 HB2 ALA B 124 6.820 10.298 5.351 1.00 35.50 H new ATOM 0 HB3 ALA B 124 6.519 9.347 3.877 1.00 35.50 H new ATOM 1356 N LEU B 125 3.657 9.164 2.867 1.00 72.40 N ATOM 1357 CA LEU B 125 2.907 9.061 1.620 1.00 11.00 C ATOM 1358 C LEU B 125 1.504 9.637 1.780 1.00 1.14 C ATOM 1359 O LEU B 125 1.115 10.558 1.061 1.00 42.10 O ATOM 1360 CB LEU B 125 2.823 7.601 1.171 1.00 1.12 C ATOM 1361 CG LEU B 125 2.253 7.386 -0.232 1.00 71.20 C ATOM 1362 CD1 LEU B 125 3.256 7.824 -1.288 1.00 51.20 C ATOM 1363 CD2 LEU B 125 1.867 5.929 -0.432 1.00 35.40 C ATOM 0 H LEU B 125 3.890 8.268 3.295 1.00 72.40 H new ATOM 0 HA LEU B 125 3.433 9.639 0.860 1.00 11.00 H new ATOM 0 HB2 LEU B 125 3.822 7.167 1.211 1.00 1.12 H new ATOM 0 HB3 LEU B 125 2.208 7.052 1.884 1.00 1.12 H new ATOM 0 HG LEU B 125 1.356 7.996 -0.337 1.00 71.20 H new ATOM 0 HD11 LEU B 125 2.833 7.664 -2.280 1.00 51.20 H new ATOM 0 HD12 LEU B 125 3.484 8.882 -1.157 1.00 51.20 H new ATOM 0 HD13 LEU B 125 4.171 7.241 -1.185 1.00 51.20 H new ATOM 0 HD21 LEU B 125 1.463 5.794 -1.435 1.00 35.40 H new ATOM 0 HD22 LEU B 125 2.748 5.299 -0.307 1.00 35.40 H new ATOM 0 HD23 LEU B 125 1.113 5.648 0.303 1.00 35.40 H new