USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 587 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.112) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 154:sc=-0.00763 (180deg=-0.17) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.4) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.0041) USER MOD Single : A 37 TYR OH : rot 92:sc= -1.41 USER MOD Single : A 38 GLN : amide:sc= -0.0548 K(o=-0.055,f=-0.57) USER MOD Single : A 39 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.0092) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -2.06 X(o=-2.1,f=-2.2) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= -0.21 (180deg=-0.367) USER MOD Single : A 59 GLN : amide:sc= -1.93 K(o=-1.9,f=-8.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 150:sc= -1.35 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 132:sc= -0.97! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -2.870 12.232 4.784 1.00 40.10 N ATOM 2 CA ASN A 10 -2.068 11.151 4.223 1.00 33.40 C ATOM 3 C ASN A 10 -2.518 9.800 4.768 1.00 51.40 C ATOM 4 O ASN A 10 -2.433 8.782 4.080 1.00 11.30 O ATOM 5 CB ASN A 10 -0.587 11.372 4.536 1.00 21.20 C ATOM 6 CG ASN A 10 -0.033 12.615 3.867 1.00 1.31 C ATOM 7 OD1 ASN A 10 -0.007 13.693 4.460 1.00 61.30 O ATOM 8 ND2 ASN A 10 0.412 12.470 2.624 1.00 5.15 N ATOM 0 HA ASN A 10 -2.208 11.151 3.142 1.00 33.40 H new ATOM 0 HB2 ASN A 10 -0.455 11.454 5.615 1.00 21.20 H new ATOM 0 HB3 ASN A 10 -0.016 10.502 4.210 1.00 21.20 H new ATOM 0 HD21 ASN A 10 0.795 13.272 2.123 1.00 5.15 H new ATOM 0 HD22 ASN A 10 0.371 11.557 2.171 1.00 5.15 H new ATOM 15 N LEU A 11 -2.999 9.797 6.007 1.00 61.40 N ATOM 16 CA LEU A 11 -3.463 8.571 6.644 1.00 34.20 C ATOM 17 C LEU A 11 -4.785 8.110 6.038 1.00 11.20 C ATOM 18 O LEU A 11 -4.965 6.929 5.742 1.00 62.30 O ATOM 19 CB LEU A 11 -3.626 8.784 8.150 1.00 64.40 C ATOM 20 CG LEU A 11 -3.894 7.513 8.959 1.00 33.10 C ATOM 21 CD1 LEU A 11 -2.586 6.827 9.323 1.00 70.10 C ATOM 22 CD2 LEU A 11 -4.694 7.838 10.211 1.00 64.40 C ATOM 0 H LEU A 11 -3.077 10.631 6.590 1.00 61.40 H new ATOM 0 HA LEU A 11 -2.715 7.797 6.472 1.00 34.20 H new ATOM 0 HB2 LEU A 11 -2.722 9.257 8.534 1.00 64.40 H new ATOM 0 HB3 LEU A 11 -4.447 9.482 8.316 1.00 64.40 H new ATOM 0 HG LEU A 11 -4.480 6.830 8.344 1.00 33.10 H new ATOM 0 HD11 LEU A 11 -2.796 5.925 9.898 1.00 70.10 H new ATOM 0 HD12 LEU A 11 -2.049 6.560 8.413 1.00 70.10 H new ATOM 0 HD13 LEU A 11 -1.974 7.504 9.920 1.00 70.10 H new ATOM 0 HD21 LEU A 11 -4.876 6.923 10.774 1.00 64.40 H new ATOM 0 HD22 LEU A 11 -4.134 8.539 10.829 1.00 64.40 H new ATOM 0 HD23 LEU A 11 -5.647 8.285 9.928 1.00 64.40 H new ATOM 34 N GLN A 12 -5.707 9.050 5.857 1.00 1.20 N ATOM 35 CA GLN A 12 -7.013 8.740 5.287 1.00 11.50 C ATOM 36 C GLN A 12 -6.870 8.163 3.882 1.00 13.10 C ATOM 37 O GLN A 12 -7.678 7.340 3.453 1.00 42.30 O ATOM 38 CB GLN A 12 -7.886 9.995 5.249 1.00 21.50 C ATOM 39 CG GLN A 12 -9.374 9.698 5.151 1.00 14.30 C ATOM 40 CD GLN A 12 -10.210 10.957 5.090 1.00 44.40 C ATOM 41 OE1 GLN A 12 -9.795 12.023 5.538 1.00 42.00 O ATOM 42 NE2 GLN A 12 -11.410 10.839 4.532 1.00 5.51 N ATOM 0 H GLN A 12 -5.574 10.032 6.097 1.00 1.20 H new ATOM 0 HA GLN A 12 -7.491 7.992 5.920 1.00 11.50 H new ATOM 0 HB2 GLN A 12 -7.700 10.584 6.147 1.00 21.50 H new ATOM 0 HB3 GLN A 12 -7.589 10.608 4.398 1.00 21.50 H new ATOM 0 HG2 GLN A 12 -9.564 9.096 4.263 1.00 14.30 H new ATOM 0 HG3 GLN A 12 -9.680 9.103 6.011 1.00 14.30 H new ATOM 0 HE21 GLN A 12 -11.718 9.936 4.172 1.00 5.51 H new ATOM 0 HE22 GLN A 12 -12.023 11.651 4.464 1.00 5.51 H new ATOM 51 N LYS A 13 -5.837 8.602 3.170 1.00 42.20 N ATOM 52 CA LYS A 13 -5.588 8.129 1.813 1.00 23.10 C ATOM 53 C LYS A 13 -4.959 6.740 1.828 1.00 21.30 C ATOM 54 O LYS A 13 -5.181 5.937 0.921 1.00 13.20 O ATOM 55 CB LYS A 13 -4.676 9.106 1.069 1.00 52.30 C ATOM 56 CG LYS A 13 -4.398 8.704 -0.370 1.00 30.50 C ATOM 57 CD LYS A 13 -5.540 9.101 -1.290 1.00 32.30 C ATOM 58 CE LYS A 13 -5.243 10.402 -2.018 1.00 34.30 C ATOM 59 NZ LYS A 13 -5.649 11.591 -1.218 1.00 72.00 N ATOM 0 H LYS A 13 -5.159 9.284 3.510 1.00 42.20 H new ATOM 0 HA LYS A 13 -6.545 8.069 1.295 1.00 23.10 H new ATOM 0 HB2 LYS A 13 -5.133 10.096 1.079 1.00 52.30 H new ATOM 0 HB3 LYS A 13 -3.730 9.186 1.604 1.00 52.30 H new ATOM 0 HG2 LYS A 13 -3.476 9.176 -0.709 1.00 30.50 H new ATOM 0 HG3 LYS A 13 -4.243 7.626 -0.424 1.00 30.50 H new ATOM 0 HD2 LYS A 13 -5.715 8.308 -2.017 1.00 32.30 H new ATOM 0 HD3 LYS A 13 -6.456 9.209 -0.709 1.00 32.30 H new ATOM 0 HE2 LYS A 13 -4.177 10.460 -2.239 1.00 34.30 H new ATOM 0 HE3 LYS A 13 -5.767 10.411 -2.974 1.00 34.30 H new ATOM 0 HZ1 LYS A 13 -5.573 12.446 -1.805 1.00 72.00 H new ATOM 0 HZ2 LYS A 13 -6.632 11.476 -0.899 1.00 72.00 H new ATOM 0 HZ3 LYS A 13 -5.026 11.682 -0.391 1.00 72.00 H new ATOM 73 N ALA A 14 -4.173 6.462 2.863 1.00 73.40 N ATOM 74 CA ALA A 14 -3.512 5.170 2.996 1.00 12.10 C ATOM 75 C ALA A 14 -4.521 4.064 3.285 1.00 53.40 C ATOM 76 O ALA A 14 -4.380 2.940 2.804 1.00 63.40 O ATOM 77 CB ALA A 14 -2.460 5.227 4.093 1.00 74.30 C ATOM 0 H ALA A 14 -3.979 7.115 3.622 1.00 73.40 H new ATOM 0 HA ALA A 14 -3.023 4.941 2.049 1.00 12.10 H new ATOM 0 HB1 ALA A 14 -1.974 4.255 4.182 1.00 74.30 H new ATOM 0 HB2 ALA A 14 -1.716 5.984 3.845 1.00 74.30 H new ATOM 0 HB3 ALA A 14 -2.935 5.483 5.040 1.00 74.30 H new ATOM 83 N ILE A 15 -5.539 4.391 4.074 1.00 40.40 N ATOM 84 CA ILE A 15 -6.573 3.425 4.427 1.00 65.00 C ATOM 85 C ILE A 15 -7.559 3.232 3.280 1.00 25.50 C ATOM 86 O ILE A 15 -8.011 2.118 3.018 1.00 32.00 O ATOM 87 CB ILE A 15 -7.346 3.864 5.685 1.00 13.10 C ATOM 88 CG1 ILE A 15 -6.373 4.258 6.797 1.00 23.10 C ATOM 89 CG2 ILE A 15 -8.271 2.751 6.153 1.00 71.10 C ATOM 90 CD1 ILE A 15 -7.021 5.044 7.917 1.00 32.10 C ATOM 0 H ILE A 15 -5.670 5.317 4.481 1.00 40.40 H new ATOM 0 HA ILE A 15 -6.068 2.481 4.631 1.00 65.00 H new ATOM 0 HB ILE A 15 -7.953 4.734 5.435 1.00 13.10 H new ATOM 0 HG12 ILE A 15 -5.922 3.356 7.211 1.00 23.10 H new ATOM 0 HG13 ILE A 15 -5.565 4.851 6.368 1.00 23.10 H new ATOM 0 HG21 ILE A 15 -8.810 3.076 7.043 1.00 71.10 H new ATOM 0 HG22 ILE A 15 -8.984 2.514 5.363 1.00 71.10 H new ATOM 0 HG23 ILE A 15 -7.683 1.864 6.389 1.00 71.10 H new ATOM 0 HD11 ILE A 15 -6.272 5.289 8.670 1.00 32.10 H new ATOM 0 HD12 ILE A 15 -7.448 5.964 7.517 1.00 32.10 H new ATOM 0 HD13 ILE A 15 -7.810 4.446 8.372 1.00 32.10 H new ATOM 102 N ASP A 16 -7.889 4.325 2.600 1.00 13.20 N ATOM 103 CA ASP A 16 -8.822 4.276 1.480 1.00 0.42 C ATOM 104 C ASP A 16 -8.268 3.419 0.347 1.00 34.10 C ATOM 105 O ASP A 16 -8.977 2.585 -0.217 1.00 44.30 O ATOM 106 CB ASP A 16 -9.114 5.689 0.971 1.00 73.00 C ATOM 107 CG ASP A 16 -10.530 5.835 0.453 1.00 32.10 C ATOM 108 OD1 ASP A 16 -11.430 5.184 1.013 1.00 5.52 O ATOM 109 OD2 ASP A 16 -10.730 6.600 -0.513 1.00 64.00 O ATOM 0 H ASP A 16 -7.524 5.255 2.805 1.00 13.20 H new ATOM 0 HA ASP A 16 -9.750 3.825 1.832 1.00 0.42 H new ATOM 0 HB2 ASP A 16 -8.949 6.404 1.777 1.00 73.00 H new ATOM 0 HB3 ASP A 16 -8.412 5.938 0.176 1.00 73.00 H new ATOM 114 N LEU A 17 -6.997 3.629 0.020 1.00 54.20 N ATOM 115 CA LEU A 17 -6.348 2.875 -1.046 1.00 4.21 C ATOM 116 C LEU A 17 -6.091 1.434 -0.615 1.00 45.30 C ATOM 117 O LEU A 17 -6.147 0.513 -1.429 1.00 24.40 O ATOM 118 CB LEU A 17 -5.031 3.543 -1.443 1.00 61.30 C ATOM 119 CG LEU A 17 -5.174 4.768 -2.348 1.00 22.40 C ATOM 120 CD1 LEU A 17 -4.063 5.770 -2.069 1.00 22.20 C ATOM 121 CD2 LEU A 17 -5.164 4.353 -3.811 1.00 31.40 C ATOM 0 H LEU A 17 -6.396 4.315 0.478 1.00 54.20 H new ATOM 0 HA LEU A 17 -7.016 2.864 -1.907 1.00 4.21 H new ATOM 0 HB2 LEU A 17 -4.504 3.840 -0.536 1.00 61.30 H new ATOM 0 HB3 LEU A 17 -4.406 2.807 -1.949 1.00 61.30 H new ATOM 0 HG LEU A 17 -6.130 5.246 -2.133 1.00 22.40 H new ATOM 0 HD11 LEU A 17 -4.181 6.635 -2.722 1.00 22.20 H new ATOM 0 HD12 LEU A 17 -4.115 6.091 -1.029 1.00 22.20 H new ATOM 0 HD13 LEU A 17 -3.096 5.303 -2.256 1.00 22.20 H new ATOM 0 HD21 LEU A 17 -5.267 5.237 -4.441 1.00 31.40 H new ATOM 0 HD22 LEU A 17 -4.224 3.851 -4.040 1.00 31.40 H new ATOM 0 HD23 LEU A 17 -5.994 3.673 -4.002 1.00 31.40 H new ATOM 133 N ALA A 18 -5.808 1.249 0.670 1.00 41.10 N ATOM 134 CA ALA A 18 -5.542 -0.079 1.210 1.00 23.40 C ATOM 135 C ALA A 18 -6.787 -0.957 1.146 1.00 73.40 C ATOM 136 O ALA A 18 -6.728 -2.105 0.706 1.00 4.23 O ATOM 137 CB ALA A 18 -5.040 0.024 2.642 1.00 11.20 C ATOM 0 H ALA A 18 -5.757 2.002 1.357 1.00 41.10 H new ATOM 0 HA ALA A 18 -4.769 -0.544 0.598 1.00 23.40 H new ATOM 0 HB1 ALA A 18 -4.846 -0.975 3.032 1.00 11.20 H new ATOM 0 HB2 ALA A 18 -4.120 0.608 2.664 1.00 11.20 H new ATOM 0 HB3 ALA A 18 -5.795 0.513 3.258 1.00 11.20 H new ATOM 143 N SER A 19 -7.915 -0.409 1.589 1.00 53.40 N ATOM 144 CA SER A 19 -9.175 -1.143 1.582 1.00 4.21 C ATOM 145 C SER A 19 -9.570 -1.533 0.161 1.00 44.30 C ATOM 146 O SER A 19 -9.996 -2.660 -0.088 1.00 33.10 O ATOM 147 CB SER A 19 -10.280 -0.301 2.218 1.00 44.20 C ATOM 148 OG SER A 19 -11.350 -1.117 2.660 1.00 20.40 O ATOM 0 H SER A 19 -7.982 0.540 1.957 1.00 53.40 H new ATOM 0 HA SER A 19 -9.040 -2.054 2.164 1.00 4.21 H new ATOM 0 HB2 SER A 19 -9.875 0.261 3.060 1.00 44.20 H new ATOM 0 HB3 SER A 19 -10.648 0.428 1.496 1.00 44.20 H new ATOM 0 HG SER A 19 -12.044 -0.556 3.065 1.00 20.40 H new ATOM 154 N LYS A 20 -9.424 -0.593 -0.767 1.00 1.12 N ATOM 155 CA LYS A 20 -9.766 -0.839 -2.164 1.00 52.30 C ATOM 156 C LYS A 20 -8.878 -1.928 -2.757 1.00 2.02 C ATOM 157 O LYS A 20 -9.333 -2.747 -3.556 1.00 44.10 O ATOM 158 CB LYS A 20 -9.627 0.448 -2.978 1.00 55.00 C ATOM 159 CG LYS A 20 -10.350 0.404 -4.313 1.00 40.10 C ATOM 160 CD LYS A 20 -9.888 1.518 -5.237 1.00 60.40 C ATOM 161 CE LYS A 20 -10.470 2.861 -4.827 1.00 11.00 C ATOM 162 NZ LYS A 20 -9.544 3.622 -3.944 1.00 73.30 N ATOM 0 H LYS A 20 -9.072 0.345 -0.578 1.00 1.12 H new ATOM 0 HA LYS A 20 -10.801 -1.177 -2.205 1.00 52.30 H new ATOM 0 HB2 LYS A 20 -10.014 1.282 -2.392 1.00 55.00 H new ATOM 0 HB3 LYS A 20 -8.569 0.645 -3.153 1.00 55.00 H new ATOM 0 HG2 LYS A 20 -10.176 -0.561 -4.790 1.00 40.10 H new ATOM 0 HG3 LYS A 20 -11.424 0.489 -4.149 1.00 40.10 H new ATOM 0 HD2 LYS A 20 -8.799 1.573 -5.225 1.00 60.40 H new ATOM 0 HD3 LYS A 20 -10.185 1.289 -6.261 1.00 60.40 H new ATOM 0 HE2 LYS A 20 -10.687 3.450 -5.718 1.00 11.00 H new ATOM 0 HE3 LYS A 20 -11.417 2.704 -4.310 1.00 11.00 H new ATOM 0 HZ1 LYS A 20 -9.734 4.640 -4.038 1.00 73.30 H new ATOM 0 HZ2 LYS A 20 -9.690 3.332 -2.956 1.00 73.30 H new ATOM 0 HZ3 LYS A 20 -8.561 3.426 -4.221 1.00 73.30 H new ATOM 176 N ALA A 21 -7.610 -1.932 -2.361 1.00 62.40 N ATOM 177 CA ALA A 21 -6.658 -2.920 -2.853 1.00 13.40 C ATOM 178 C ALA A 21 -7.035 -4.323 -2.390 1.00 4.31 C ATOM 179 O ALA A 21 -7.055 -5.265 -3.182 1.00 3.43 O ATOM 180 CB ALA A 21 -5.250 -2.571 -2.395 1.00 41.30 C ATOM 0 H ALA A 21 -7.218 -1.261 -1.700 1.00 62.40 H new ATOM 0 HA ALA A 21 -6.687 -2.905 -3.943 1.00 13.40 H new ATOM 0 HB1 ALA A 21 -4.550 -3.318 -2.770 1.00 41.30 H new ATOM 0 HB2 ALA A 21 -4.975 -1.589 -2.781 1.00 41.30 H new ATOM 0 HB3 ALA A 21 -5.215 -2.556 -1.306 1.00 41.30 H new ATOM 186 N ALA A 22 -7.332 -4.455 -1.101 1.00 51.30 N ATOM 187 CA ALA A 22 -7.708 -5.743 -0.532 1.00 15.00 C ATOM 188 C ALA A 22 -8.958 -6.298 -1.207 1.00 54.10 C ATOM 189 O ALA A 22 -9.124 -7.512 -1.328 1.00 50.40 O ATOM 190 CB ALA A 22 -7.930 -5.613 0.967 1.00 42.30 C ATOM 0 H ALA A 22 -7.319 -3.686 -0.432 1.00 51.30 H new ATOM 0 HA ALA A 22 -6.891 -6.442 -0.708 1.00 15.00 H new ATOM 0 HB1 ALA A 22 -8.210 -6.583 1.379 1.00 42.30 H new ATOM 0 HB2 ALA A 22 -7.012 -5.269 1.442 1.00 42.30 H new ATOM 0 HB3 ALA A 22 -8.728 -4.894 1.156 1.00 42.30 H new ATOM 196 N GLN A 23 -9.835 -5.401 -1.645 1.00 2.14 N ATOM 197 CA GLN A 23 -11.070 -5.800 -2.308 1.00 35.00 C ATOM 198 C GLN A 23 -10.820 -6.080 -3.788 1.00 12.30 C ATOM 199 O GLN A 23 -11.490 -6.927 -4.386 1.00 72.50 O ATOM 200 CB GLN A 23 -12.130 -4.712 -2.151 1.00 72.30 C ATOM 201 CG GLN A 23 -12.870 -4.775 -0.827 1.00 5.40 C ATOM 202 CD GLN A 23 -14.210 -4.069 -0.878 1.00 11.40 C ATOM 203 OE1 GLN A 23 -15.050 -4.351 -1.741 1.00 64.40 O ATOM 204 NE2 GLN A 23 -14.430 -3.144 0.051 1.00 20.40 N ATOM 0 H GLN A 23 -9.713 -4.393 -1.553 1.00 2.14 H new ATOM 0 HA GLN A 23 -11.431 -6.715 -1.839 1.00 35.00 H new ATOM 0 HB2 GLN A 23 -11.654 -3.736 -2.246 1.00 72.30 H new ATOM 0 HB3 GLN A 23 -12.850 -4.797 -2.965 1.00 72.30 H new ATOM 0 HG2 GLN A 23 -13.023 -5.818 -0.549 1.00 5.40 H new ATOM 0 HG3 GLN A 23 -12.255 -4.324 -0.048 1.00 5.40 H new ATOM 0 HE21 GLN A 23 -13.713 -2.939 0.747 1.00 20.40 H new ATOM 0 HE22 GLN A 23 -15.316 -2.639 0.068 1.00 20.40 H new ATOM 213 N GLU A 24 -9.874 -5.363 -4.372 1.00 21.40 N ATOM 214 CA GLU A 24 -9.544 -5.535 -5.782 1.00 4.44 C ATOM 215 C GLU A 24 -8.877 -6.885 -6.024 1.00 50.20 C ATOM 216 O GLU A 24 -9.194 -7.580 -6.989 1.00 24.40 O ATOM 217 CB GLU A 24 -8.625 -4.406 -6.253 1.00 71.10 C ATOM 218 CG GLU A 24 -9.369 -3.146 -6.664 1.00 22.00 C ATOM 219 CD GLU A 24 -10.020 -3.277 -8.022 1.00 40.40 C ATOM 220 OE1 GLU A 24 -11.030 -4.005 -8.124 1.00 2.12 O ATOM 221 OE2 GLU A 24 -9.536 -2.651 -8.984 1.00 5.32 O ATOM 0 H GLU A 24 -9.319 -4.654 -3.893 1.00 21.40 H new ATOM 0 HA GLU A 24 -10.471 -5.501 -6.354 1.00 4.44 H new ATOM 0 HB2 GLU A 24 -7.926 -4.160 -5.453 1.00 71.10 H new ATOM 0 HB3 GLU A 24 -8.033 -4.759 -7.097 1.00 71.10 H new ATOM 0 HG2 GLU A 24 -10.132 -2.919 -5.919 1.00 22.00 H new ATOM 0 HG3 GLU A 24 -8.675 -2.306 -6.677 1.00 22.00 H new ATOM 228 N ASP A 25 -7.952 -7.248 -5.142 1.00 53.00 N ATOM 229 CA ASP A 25 -7.240 -8.515 -5.260 1.00 44.20 C ATOM 230 C ASP A 25 -8.167 -9.690 -4.968 1.00 15.20 C ATOM 231 O ASP A 25 -8.182 -10.680 -5.700 1.00 71.50 O ATOM 232 CB ASP A 25 -6.045 -8.544 -4.305 1.00 22.00 C ATOM 233 CG ASP A 25 -4.894 -9.371 -4.843 1.00 2.32 C ATOM 234 OD1 ASP A 25 -4.240 -8.921 -5.808 1.00 41.10 O ATOM 235 OD2 ASP A 25 -4.646 -10.460 -4.301 1.00 72.10 O ATOM 0 H ASP A 25 -7.678 -6.683 -4.338 1.00 53.00 H new ATOM 0 HA ASP A 25 -6.880 -8.606 -6.285 1.00 44.20 H new ATOM 0 HB2 ASP A 25 -5.703 -7.525 -4.124 1.00 22.00 H new ATOM 0 HB3 ASP A 25 -6.361 -8.949 -3.344 1.00 22.00 H new ATOM 240 N LYS A 26 -8.941 -9.574 -3.893 1.00 41.40 N ATOM 241 CA LYS A 26 -9.872 -10.620 -3.504 1.00 70.10 C ATOM 242 C LYS A 26 -10.890 -10.870 -4.604 1.00 54.20 C ATOM 243 O LYS A 26 -11.370 -12.000 -4.778 1.00 70.40 O ATOM 244 CB LYS A 26 -10.580 -10.250 -2.203 1.00 52.40 C ATOM 245 CG LYS A 26 -10.900 -11.440 -1.319 1.00 24.00 C ATOM 246 CD LYS A 26 -10.940 -11.050 0.150 1.00 2.34 C ATOM 247 CE LYS A 26 -10.690 -12.250 1.050 1.00 72.40 C ATOM 248 NZ LYS A 26 -11.510 -12.190 2.291 1.00 24.10 N ATOM 0 H LYS A 26 -8.939 -8.762 -3.276 1.00 41.40 H new ATOM 0 HA LYS A 26 -9.305 -11.537 -3.344 1.00 70.10 H new ATOM 0 HB2 LYS A 26 -9.954 -9.553 -1.645 1.00 52.40 H new ATOM 0 HB3 LYS A 26 -11.506 -9.727 -2.441 1.00 52.40 H new ATOM 0 HG2 LYS A 26 -11.862 -11.863 -1.610 1.00 24.00 H new ATOM 0 HG3 LYS A 26 -10.151 -12.218 -1.469 1.00 24.00 H new ATOM 0 HD2 LYS A 26 -10.189 -10.284 0.345 1.00 2.34 H new ATOM 0 HD3 LYS A 26 -11.910 -10.613 0.386 1.00 2.34 H new ATOM 0 HE2 LYS A 26 -10.920 -13.166 0.506 1.00 72.40 H new ATOM 0 HE3 LYS A 26 -9.633 -12.293 1.314 1.00 72.40 H new ATOM 0 HZ1 LYS A 26 -11.312 -13.025 2.879 1.00 24.10 H new ATOM 0 HZ2 LYS A 26 -11.273 -11.328 2.823 1.00 24.10 H new ATOM 0 HZ3 LYS A 26 -12.519 -12.175 2.040 1.00 24.10 H new ATOM 262 N ALA A 27 -11.230 -9.828 -5.343 1.00 41.30 N ATOM 263 CA ALA A 27 -12.200 -9.937 -6.427 1.00 61.00 C ATOM 264 C ALA A 27 -11.580 -10.590 -7.656 1.00 61.20 C ATOM 265 O ALA A 27 -12.260 -11.290 -8.405 1.00 3.23 O ATOM 266 CB ALA A 27 -12.750 -8.564 -6.780 1.00 23.10 C ATOM 0 H ALA A 27 -10.848 -8.891 -5.214 1.00 41.30 H new ATOM 0 HA ALA A 27 -13.019 -10.570 -6.086 1.00 61.00 H new ATOM 0 HB1 ALA A 27 -13.473 -8.659 -7.590 1.00 23.10 H new ATOM 0 HB2 ALA A 27 -13.239 -8.132 -5.907 1.00 23.10 H new ATOM 0 HB3 ALA A 27 -11.933 -7.915 -7.097 1.00 23.10 H new ATOM 272 N GLY A 28 -10.290 -10.350 -7.856 1.00 14.40 N ATOM 273 CA GLY A 28 -9.602 -10.920 -8.996 1.00 33.40 C ATOM 274 C GLY A 28 -8.578 -9.982 -9.591 1.00 51.30 C ATOM 275 O GLY A 28 -7.583 -10.410 -10.170 1.00 52.00 O ATOM 0 H GLY A 28 -9.709 -9.771 -7.249 1.00 14.40 H new ATOM 0 HA2 GLY A 28 -9.109 -11.844 -8.692 1.00 33.40 H new ATOM 0 HA3 GLY A 28 -10.333 -11.185 -9.760 1.00 33.40 H new ATOM 279 N ASN A 29 -8.821 -8.684 -9.448 1.00 54.50 N ATOM 280 CA ASN A 29 -7.913 -7.673 -9.976 1.00 23.00 C ATOM 281 C ASN A 29 -6.608 -7.647 -9.186 1.00 22.10 C ATOM 282 O ASN A 29 -6.580 -7.230 -8.028 1.00 53.50 O ATOM 283 CB ASN A 29 -8.573 -6.294 -9.937 1.00 43.20 C ATOM 284 CG ASN A 29 -9.668 -6.147 -10.970 1.00 21.40 C ATOM 285 OD1 ASN A 29 -9.898 -7.047 -11.780 1.00 13.10 O ATOM 286 ND2 ASN A 29 -10.350 -5.009 -10.950 1.00 4.42 N ATOM 0 H ASN A 29 -9.640 -8.307 -8.971 1.00 54.50 H new ATOM 0 HA ASN A 29 -7.686 -7.930 -11.010 1.00 23.00 H new ATOM 0 HB2 ASN A 29 -8.989 -6.122 -8.944 1.00 43.20 H new ATOM 0 HB3 ASN A 29 -7.816 -5.528 -10.103 1.00 43.20 H new ATOM 0 HD21 ASN A 29 -11.100 -4.852 -11.624 1.00 4.42 H new ATOM 0 HD22 ASN A 29 -10.125 -4.291 -10.261 1.00 4.42 H new ATOM 293 N TYR A 30 -5.530 -8.097 -9.819 1.00 31.40 N ATOM 294 CA TYR A 30 -4.221 -8.125 -9.176 1.00 73.00 C ATOM 295 C TYR A 30 -3.376 -6.932 -9.609 1.00 71.30 C ATOM 296 O TYR A 30 -2.581 -6.406 -8.830 1.00 74.10 O ATOM 297 CB TYR A 30 -3.494 -9.429 -9.509 1.00 15.30 C ATOM 298 CG TYR A 30 -3.886 -10.580 -8.619 1.00 23.30 C ATOM 299 CD1 TYR A 30 -5.213 -10.800 -8.266 1.00 31.40 C ATOM 300 CD2 TYR A 30 -2.928 -11.460 -8.131 1.00 60.30 C ATOM 301 CE1 TYR A 30 -5.574 -11.850 -7.453 1.00 65.40 C ATOM 302 CE2 TYR A 30 -3.282 -12.520 -7.318 1.00 53.20 C ATOM 303 CZ TYR A 30 -4.605 -12.710 -6.982 1.00 13.30 C ATOM 304 OH TYR A 30 -4.961 -13.770 -6.172 1.00 21.00 O ATOM 0 H TYR A 30 -5.537 -8.447 -10.777 1.00 31.40 H new ATOM 0 HA TYR A 30 -4.372 -8.067 -8.098 1.00 73.00 H new ATOM 0 HB2 TYR A 30 -3.699 -9.696 -10.546 1.00 15.30 H new ATOM 0 HB3 TYR A 30 -2.419 -9.267 -9.428 1.00 15.30 H new ATOM 0 HD1 TYR A 30 -5.976 -10.133 -8.638 1.00 31.40 H new ATOM 0 HD2 TYR A 30 -1.890 -11.313 -8.391 1.00 60.30 H new ATOM 0 HE1 TYR A 30 -6.610 -11.999 -7.186 1.00 65.40 H new ATOM 0 HE2 TYR A 30 -2.526 -13.196 -6.948 1.00 53.20 H new ATOM 0 HH TYR A 30 -4.160 -14.279 -5.928 1.00 21.00 H new ATOM 314 N GLU A 31 -3.553 -6.511 -10.850 1.00 5.30 N ATOM 315 CA GLU A 31 -2.806 -5.379 -11.390 1.00 51.30 C ATOM 316 C GLU A 31 -3.198 -4.085 -10.690 1.00 5.43 C ATOM 317 O GLU A 31 -2.344 -3.359 -10.180 1.00 43.10 O ATOM 318 CB GLU A 31 -3.049 -5.249 -12.890 1.00 22.30 C ATOM 319 CG GLU A 31 -2.194 -6.185 -13.730 1.00 35.10 C ATOM 320 CD GLU A 31 -1.694 -5.534 -15.010 1.00 73.10 C ATOM 321 OE1 GLU A 31 -2.457 -5.499 -15.990 1.00 22.20 O ATOM 322 OE2 GLU A 31 -0.538 -5.059 -15.020 1.00 5.12 O ATOM 0 H GLU A 31 -4.208 -6.935 -11.507 1.00 5.30 H new ATOM 0 HA GLU A 31 -1.746 -5.561 -11.214 1.00 51.30 H new ATOM 0 HB2 GLU A 31 -4.101 -5.447 -13.097 1.00 22.30 H new ATOM 0 HB3 GLU A 31 -2.852 -4.221 -13.193 1.00 22.30 H new ATOM 0 HG2 GLU A 31 -1.341 -6.519 -13.140 1.00 35.10 H new ATOM 0 HG3 GLU A 31 -2.774 -7.073 -13.982 1.00 35.10 H new ATOM 329 N GLU A 32 -4.497 -3.802 -10.660 1.00 73.40 N ATOM 330 CA GLU A 32 -5.003 -2.594 -10.020 1.00 71.20 C ATOM 331 C GLU A 32 -4.737 -2.625 -8.520 1.00 21.30 C ATOM 332 O GLU A 32 -4.294 -1.635 -7.938 1.00 52.10 O ATOM 333 CB GLU A 32 -6.502 -2.442 -10.280 1.00 54.10 C ATOM 334 CG GLU A 32 -7.020 -1.032 -10.050 1.00 34.40 C ATOM 335 CD GLU A 32 -7.086 -0.218 -11.320 1.00 1.21 C ATOM 336 OE1 GLU A 32 -6.029 -0.022 -11.960 1.00 33.50 O ATOM 337 OE2 GLU A 32 -8.196 0.223 -11.690 1.00 42.30 O ATOM 0 H GLU A 32 -5.218 -4.394 -11.072 1.00 73.40 H new ATOM 0 HA GLU A 32 -4.480 -1.739 -10.448 1.00 71.20 H new ATOM 0 HB2 GLU A 32 -6.715 -2.735 -11.308 1.00 54.10 H new ATOM 0 HB3 GLU A 32 -7.046 -3.130 -9.633 1.00 54.10 H new ATOM 0 HG2 GLU A 32 -8.014 -1.083 -9.605 1.00 34.40 H new ATOM 0 HG3 GLU A 32 -6.375 -0.525 -9.332 1.00 34.40 H new ATOM 344 N ALA A 33 -5.012 -3.767 -7.899 1.00 1.33 N ATOM 345 CA ALA A 33 -4.802 -3.927 -6.465 1.00 52.30 C ATOM 346 C ALA A 33 -3.338 -3.715 -6.098 1.00 60.10 C ATOM 347 O ALA A 33 -3.026 -3.164 -5.042 1.00 50.00 O ATOM 348 CB ALA A 33 -5.267 -5.303 -6.015 1.00 44.40 C ATOM 0 H ALA A 33 -5.381 -4.595 -8.366 1.00 1.33 H new ATOM 0 HA ALA A 33 -5.392 -3.169 -5.949 1.00 52.30 H new ATOM 0 HB1 ALA A 33 -5.105 -5.409 -4.942 1.00 44.40 H new ATOM 0 HB2 ALA A 33 -6.328 -5.418 -6.234 1.00 44.40 H new ATOM 0 HB3 ALA A 33 -4.702 -6.069 -6.545 1.00 44.40 H new ATOM 354 N LEU A 34 -2.443 -4.155 -6.976 1.00 5.11 N ATOM 355 CA LEU A 34 -1.010 -4.013 -6.744 1.00 65.40 C ATOM 356 C LEU A 34 -0.624 -2.544 -6.609 1.00 52.00 C ATOM 357 O LEU A 34 0.049 -2.154 -5.654 1.00 14.10 O ATOM 358 CB LEU A 34 -0.221 -4.658 -7.885 1.00 51.40 C ATOM 359 CG LEU A 34 1.299 -4.530 -7.774 1.00 2.01 C ATOM 360 CD1 LEU A 34 1.824 -5.387 -6.632 1.00 13.40 C ATOM 361 CD2 LEU A 34 1.963 -4.922 -9.086 1.00 31.20 C ATOM 0 H LEU A 34 -2.684 -4.613 -7.855 1.00 5.11 H new ATOM 0 HA LEU A 34 -0.766 -4.521 -5.811 1.00 65.40 H new ATOM 0 HB2 LEU A 34 -0.479 -5.716 -7.932 1.00 51.40 H new ATOM 0 HB3 LEU A 34 -0.540 -4.210 -8.826 1.00 51.40 H new ATOM 0 HG LEU A 34 1.543 -3.489 -7.562 1.00 2.01 H new ATOM 0 HD11 LEU A 34 2.907 -5.284 -6.568 1.00 13.40 H new ATOM 0 HD12 LEU A 34 1.372 -5.061 -5.695 1.00 13.40 H new ATOM 0 HD13 LEU A 34 1.569 -6.431 -6.814 1.00 13.40 H new ATOM 0 HD21 LEU A 34 3.044 -4.825 -8.990 1.00 31.20 H new ATOM 0 HD22 LEU A 34 1.711 -5.955 -9.327 1.00 31.20 H new ATOM 0 HD23 LEU A 34 1.610 -4.267 -9.883 1.00 31.20 H new ATOM 373 N GLN A 35 -1.053 -1.734 -7.571 1.00 4.30 N ATOM 374 CA GLN A 35 -0.752 -0.307 -7.559 1.00 61.20 C ATOM 375 C GLN A 35 -1.319 0.358 -6.309 1.00 50.50 C ATOM 376 O GLN A 35 -0.749 1.319 -5.792 1.00 4.32 O ATOM 377 CB GLN A 35 -1.319 0.365 -8.811 1.00 3.03 C ATOM 378 CG GLN A 35 -0.366 0.351 -9.994 1.00 54.30 C ATOM 379 CD GLN A 35 0.335 1.680 -10.190 1.00 12.10 C ATOM 380 OE1 GLN A 35 1.562 1.763 -10.140 1.00 72.20 O ATOM 381 NE2 GLN A 35 -0.445 2.731 -10.420 1.00 4.24 N ATOM 0 H GLN A 35 -1.610 -2.041 -8.368 1.00 4.30 H new ATOM 0 HA GLN A 35 0.332 -0.189 -7.551 1.00 61.20 H new ATOM 0 HB2 GLN A 35 -2.244 -0.136 -9.095 1.00 3.03 H new ATOM 0 HB3 GLN A 35 -1.576 1.398 -8.574 1.00 3.03 H new ATOM 0 HG2 GLN A 35 0.379 -0.431 -9.847 1.00 54.30 H new ATOM 0 HG3 GLN A 35 -0.919 0.099 -10.899 1.00 54.30 H new ATOM 0 HE21 GLN A 35 -1.458 2.617 -10.453 1.00 4.24 H new ATOM 0 HE22 GLN A 35 -0.031 3.652 -10.563 1.00 4.24 H new ATOM 390 N LEU A 36 -2.445 -0.159 -5.828 1.00 11.20 N ATOM 391 CA LEU A 36 -3.089 0.385 -4.639 1.00 52.30 C ATOM 392 C LEU A 36 -2.352 -0.047 -3.375 1.00 60.00 C ATOM 393 O LEU A 36 -2.219 0.727 -2.427 1.00 42.30 O ATOM 394 CB LEU A 36 -4.549 -0.069 -4.571 1.00 51.00 C ATOM 395 CG LEU A 36 -5.392 0.278 -5.800 1.00 42.30 C ATOM 396 CD1 LEU A 36 -6.576 -0.668 -5.918 1.00 30.10 C ATOM 397 CD2 LEU A 36 -5.866 1.722 -5.729 1.00 75.50 C ATOM 0 H LEU A 36 -2.930 -0.954 -6.244 1.00 11.20 H new ATOM 0 HA LEU A 36 -3.056 1.473 -4.704 1.00 52.30 H new ATOM 0 HB2 LEU A 36 -4.572 -1.149 -4.427 1.00 51.00 H new ATOM 0 HB3 LEU A 36 -5.013 0.380 -3.692 1.00 51.00 H new ATOM 0 HG LEU A 36 -4.771 0.163 -6.689 1.00 42.30 H new ATOM 0 HD11 LEU A 36 -7.164 -0.406 -6.797 1.00 30.10 H new ATOM 0 HD12 LEU A 36 -6.215 -1.692 -6.014 1.00 30.10 H new ATOM 0 HD13 LEU A 36 -7.198 -0.585 -5.027 1.00 30.10 H new ATOM 0 HD21 LEU A 36 -6.464 1.952 -6.611 1.00 75.50 H new ATOM 0 HD22 LEU A 36 -6.471 1.863 -4.833 1.00 75.50 H new ATOM 0 HD23 LEU A 36 -5.003 2.387 -5.692 1.00 75.50 H new ATOM 409 N TYR A 37 -1.875 -1.287 -3.369 1.00 32.40 N ATOM 410 CA TYR A 37 -1.150 -1.822 -2.222 1.00 62.00 C ATOM 411 C TYR A 37 0.106 -1.003 -1.942 1.00 41.00 C ATOM 412 O TYR A 37 0.414 -0.694 -0.791 1.00 14.20 O ATOM 413 CB TYR A 37 -0.776 -3.285 -2.465 1.00 5.31 C ATOM 414 CG TYR A 37 -1.947 -4.236 -2.360 1.00 73.00 C ATOM 415 CD1 TYR A 37 -2.861 -4.130 -1.319 1.00 51.10 C ATOM 416 CD2 TYR A 37 -2.138 -5.239 -3.302 1.00 21.50 C ATOM 417 CE1 TYR A 37 -3.933 -4.997 -1.220 1.00 32.10 C ATOM 418 CE2 TYR A 37 -3.207 -6.110 -3.209 1.00 60.10 C ATOM 419 CZ TYR A 37 -4.101 -5.985 -2.167 1.00 52.40 C ATOM 420 OH TYR A 37 -5.167 -6.850 -2.071 1.00 34.10 O ATOM 0 H TYR A 37 -1.977 -1.941 -4.145 1.00 32.40 H new ATOM 0 HA TYR A 37 -1.803 -1.762 -1.351 1.00 62.00 H new ATOM 0 HB2 TYR A 37 -0.332 -3.378 -3.456 1.00 5.31 H new ATOM 0 HB3 TYR A 37 -0.013 -3.581 -1.745 1.00 5.31 H new ATOM 0 HD1 TYR A 37 -2.732 -3.358 -0.575 1.00 51.10 H new ATOM 0 HD2 TYR A 37 -1.440 -5.340 -4.120 1.00 21.50 H new ATOM 0 HE1 TYR A 37 -4.635 -4.901 -0.405 1.00 32.10 H new ATOM 0 HE2 TYR A 37 -3.341 -6.885 -3.949 1.00 60.10 H new ATOM 0 HH TYR A 37 -5.925 -6.493 -2.579 1.00 34.10 H new ATOM 430 N GLN A 38 0.828 -0.655 -3.003 1.00 11.50 N ATOM 431 CA GLN A 38 2.051 0.128 -2.871 1.00 21.30 C ATOM 432 C GLN A 38 1.745 1.533 -2.363 1.00 31.30 C ATOM 433 O GLN A 38 2.436 2.050 -1.485 1.00 72.30 O ATOM 434 CB GLN A 38 2.778 0.206 -4.214 1.00 33.40 C ATOM 435 CG GLN A 38 3.211 -1.149 -4.751 1.00 60.20 C ATOM 436 CD GLN A 38 3.743 -1.071 -6.169 1.00 72.50 C ATOM 437 OE1 GLN A 38 4.148 -0.006 -6.635 1.00 53.20 O ATOM 438 NE2 GLN A 38 3.745 -2.203 -6.863 1.00 34.20 N ATOM 0 H GLN A 38 0.587 -0.903 -3.963 1.00 11.50 H new ATOM 0 HA GLN A 38 2.695 -0.369 -2.145 1.00 21.30 H new ATOM 0 HB2 GLN A 38 2.125 0.685 -4.944 1.00 33.40 H new ATOM 0 HB3 GLN A 38 3.656 0.842 -4.106 1.00 33.40 H new ATOM 0 HG2 GLN A 38 3.981 -1.565 -4.100 1.00 60.20 H new ATOM 0 HG3 GLN A 38 2.364 -1.835 -4.722 1.00 60.20 H new ATOM 0 HE21 GLN A 38 3.400 -3.063 -6.437 1.00 34.20 H new ATOM 0 HE22 GLN A 38 4.092 -2.213 -7.822 1.00 34.20 H new ATOM 447 N HIS A 39 0.706 2.145 -2.921 1.00 62.30 N ATOM 448 CA HIS A 39 0.309 3.491 -2.524 1.00 64.30 C ATOM 449 C HIS A 39 -0.058 3.536 -1.044 1.00 40.10 C ATOM 450 O HIS A 39 0.314 4.468 -0.331 1.00 71.10 O ATOM 451 CB HIS A 39 -0.875 3.966 -3.369 1.00 72.40 C ATOM 452 CG HIS A 39 -0.468 4.691 -4.614 1.00 11.10 C ATOM 453 ND1 HIS A 39 -1.342 5.450 -5.363 1.00 32.50 N ATOM 454 CD2 HIS A 39 0.729 4.771 -5.243 1.00 42.10 C ATOM 455 CE1 HIS A 39 -0.701 5.965 -6.398 1.00 41.10 C ATOM 456 NE2 HIS A 39 0.557 5.568 -6.347 1.00 22.40 N ATOM 0 H HIS A 39 0.124 1.731 -3.649 1.00 62.30 H new ATOM 0 HA HIS A 39 1.156 4.156 -2.690 1.00 64.30 H new ATOM 0 HB2 HIS A 39 -1.485 3.105 -3.643 1.00 72.40 H new ATOM 0 HB3 HIS A 39 -1.502 4.622 -2.765 1.00 72.40 H new ATOM 0 HD2 HIS A 39 1.648 4.296 -4.933 1.00 42.10 H new ATOM 0 HE1 HIS A 39 -1.133 6.602 -7.156 1.00 41.10 H new ATOM 0 HE2 HIS A 39 1.284 5.814 -7.019 1.00 22.40 H new ATOM 465 N ALA A 40 -0.789 2.523 -0.590 1.00 2.24 N ATOM 466 CA ALA A 40 -1.205 2.447 0.805 1.00 63.50 C ATOM 467 C ALA A 40 0.001 2.422 1.738 1.00 20.30 C ATOM 468 O ALA A 40 0.023 3.111 2.758 1.00 74.20 O ATOM 469 CB ALA A 40 -2.074 1.218 1.029 1.00 14.10 C ATOM 0 H ALA A 40 -1.105 1.744 -1.168 1.00 2.24 H new ATOM 0 HA ALA A 40 -1.789 3.339 1.034 1.00 63.50 H new ATOM 0 HB1 ALA A 40 -2.378 1.173 2.075 1.00 14.10 H new ATOM 0 HB2 ALA A 40 -2.959 1.278 0.396 1.00 14.10 H new ATOM 0 HB3 ALA A 40 -1.508 0.321 0.777 1.00 14.10 H new ATOM 475 N VAL A 41 1.002 1.624 1.381 1.00 13.00 N ATOM 476 CA VAL A 41 2.212 1.510 2.186 1.00 24.00 C ATOM 477 C VAL A 41 2.999 2.816 2.180 1.00 1.23 C ATOM 478 O VAL A 41 3.565 3.215 3.198 1.00 33.50 O ATOM 479 CB VAL A 41 3.120 0.372 1.680 1.00 41.40 C ATOM 480 CG1 VAL A 41 4.295 0.165 2.623 1.00 1.32 C ATOM 481 CG2 VAL A 41 2.325 -0.915 1.517 1.00 21.50 C ATOM 0 H VAL A 41 0.999 1.047 0.540 1.00 13.00 H new ATOM 0 HA VAL A 41 1.895 1.284 3.204 1.00 24.00 H new ATOM 0 HB VAL A 41 3.513 0.655 0.704 1.00 41.40 H new ATOM 0 HG11 VAL A 41 4.924 -0.642 2.249 1.00 1.32 H new ATOM 0 HG12 VAL A 41 4.880 1.083 2.683 1.00 1.32 H new ATOM 0 HG13 VAL A 41 3.924 -0.094 3.615 1.00 1.32 H new ATOM 0 HG21 VAL A 41 2.983 -1.706 1.159 1.00 21.50 H new ATOM 0 HG22 VAL A 41 1.899 -1.204 2.478 1.00 21.50 H new ATOM 0 HG23 VAL A 41 1.522 -0.758 0.797 1.00 21.50 H new ATOM 491 N GLN A 42 3.031 3.476 1.028 1.00 42.20 N ATOM 492 CA GLN A 42 3.750 4.737 0.889 1.00 43.10 C ATOM 493 C GLN A 42 3.183 5.793 1.833 1.00 72.20 C ATOM 494 O GLN A 42 3.925 6.452 2.561 1.00 44.20 O ATOM 495 CB GLN A 42 3.676 5.235 -0.556 1.00 35.50 C ATOM 496 CG GLN A 42 4.750 4.648 -1.457 1.00 72.30 C ATOM 497 CD GLN A 42 5.030 5.515 -2.669 1.00 32.50 C ATOM 498 OE1 GLN A 42 4.148 5.751 -3.495 1.00 61.10 O ATOM 499 NE2 GLN A 42 6.264 5.993 -2.782 1.00 15.40 N ATOM 0 H GLN A 42 2.567 3.159 0.177 1.00 42.20 H new ATOM 0 HA GLN A 42 4.793 4.562 1.152 1.00 43.10 H new ATOM 0 HB2 GLN A 42 2.696 4.991 -0.966 1.00 35.50 H new ATOM 0 HB3 GLN A 42 3.762 6.322 -0.562 1.00 35.50 H new ATOM 0 HG2 GLN A 42 5.669 4.521 -0.885 1.00 72.30 H new ATOM 0 HG3 GLN A 42 4.440 3.657 -1.787 1.00 72.30 H new ATOM 0 HE21 GLN A 42 6.963 5.772 -2.073 1.00 15.40 H new ATOM 0 HE22 GLN A 42 6.512 6.581 -3.577 1.00 15.40 H new ATOM 508 N TYR A 43 1.863 5.948 1.814 1.00 33.20 N ATOM 509 CA TYR A 43 1.196 6.924 2.668 1.00 4.44 C ATOM 510 C TYR A 43 1.254 6.497 4.131 1.00 65.10 C ATOM 511 O TYR A 43 1.452 7.322 5.022 1.00 72.10 O ATOM 512 CB TYR A 43 -0.260 7.102 2.234 1.00 34.50 C ATOM 513 CG TYR A 43 -0.413 7.624 0.823 1.00 25.30 C ATOM 514 CD1 TYR A 43 0.058 8.883 0.473 1.00 4.22 C ATOM 515 CD2 TYR A 43 -1.027 6.857 -0.159 1.00 74.20 C ATOM 516 CE1 TYR A 43 -0.080 9.363 -0.816 1.00 63.00 C ATOM 517 CE2 TYR A 43 -1.169 7.330 -1.449 1.00 71.40 C ATOM 518 CZ TYR A 43 -0.694 8.583 -1.773 1.00 31.30 C ATOM 519 OH TYR A 43 -0.833 9.058 -3.057 1.00 34.40 O ATOM 0 H TYR A 43 1.235 5.411 1.217 1.00 33.20 H new ATOM 0 HA TYR A 43 1.718 7.876 2.565 1.00 4.44 H new ATOM 0 HB2 TYR A 43 -0.774 6.144 2.316 1.00 34.50 H new ATOM 0 HB3 TYR A 43 -0.754 7.789 2.922 1.00 34.50 H new ATOM 0 HD1 TYR A 43 0.540 9.497 1.220 1.00 4.22 H new ATOM 0 HD2 TYR A 43 -1.400 5.874 0.090 1.00 74.20 H new ATOM 0 HE1 TYR A 43 0.291 10.344 -1.072 1.00 63.00 H new ATOM 0 HE2 TYR A 43 -1.650 6.721 -2.200 1.00 71.40 H new ATOM 0 HH TYR A 43 -1.286 8.385 -3.607 1.00 34.40 H new ATOM 529 N PHE A 44 1.080 5.201 4.371 1.00 11.40 N ATOM 530 CA PHE A 44 1.113 4.663 5.726 1.00 20.30 C ATOM 531 C PHE A 44 2.462 4.931 6.385 1.00 24.10 C ATOM 532 O PHE A 44 2.531 5.523 7.463 1.00 32.50 O ATOM 533 CB PHE A 44 0.831 3.160 5.707 1.00 62.40 C ATOM 534 CG PHE A 44 -0.631 2.822 5.762 1.00 53.20 C ATOM 535 CD1 PHE A 44 -1.466 3.447 6.674 1.00 33.40 C ATOM 536 CD2 PHE A 44 -1.170 1.879 4.902 1.00 51.40 C ATOM 537 CE1 PHE A 44 -2.812 3.139 6.727 1.00 72.30 C ATOM 538 CE2 PHE A 44 -2.516 1.566 4.950 1.00 62.20 C ATOM 539 CZ PHE A 44 -3.338 2.196 5.864 1.00 10.30 C ATOM 0 H PHE A 44 0.915 4.504 3.645 1.00 11.40 H new ATOM 0 HA PHE A 44 0.339 5.163 6.308 1.00 20.30 H new ATOM 0 HB2 PHE A 44 1.261 2.730 4.803 1.00 62.40 H new ATOM 0 HB3 PHE A 44 1.335 2.693 6.553 1.00 62.40 H new ATOM 0 HD1 PHE A 44 -1.060 4.184 7.351 1.00 33.40 H new ATOM 0 HD2 PHE A 44 -0.532 1.383 4.186 1.00 51.40 H new ATOM 0 HE1 PHE A 44 -3.452 3.634 7.442 1.00 72.30 H new ATOM 0 HE2 PHE A 44 -2.924 0.830 4.274 1.00 62.20 H new ATOM 0 HZ PHE A 44 -4.389 1.952 5.904 1.00 10.30 H new ATOM 549 N LEU A 45 3.532 4.492 5.732 1.00 60.30 N ATOM 550 CA LEU A 45 4.880 4.684 6.255 1.00 52.30 C ATOM 551 C LEU A 45 5.193 6.168 6.421 1.00 64.40 C ATOM 552 O LEU A 45 5.925 6.560 7.329 1.00 25.30 O ATOM 553 CB LEU A 45 5.907 4.035 5.325 1.00 25.30 C ATOM 554 CG LEU A 45 5.785 2.517 5.185 1.00 5.33 C ATOM 555 CD1 LEU A 45 6.795 1.991 4.177 1.00 15.50 C ATOM 556 CD2 LEU A 45 5.974 1.841 6.534 1.00 73.00 C ATOM 0 H LEU A 45 3.492 4.000 4.839 1.00 60.30 H new ATOM 0 HA LEU A 45 4.935 4.208 7.234 1.00 52.30 H new ATOM 0 HB2 LEU A 45 5.814 4.484 4.336 1.00 25.30 H new ATOM 0 HB3 LEU A 45 6.906 4.272 5.690 1.00 25.30 H new ATOM 0 HG LEU A 45 4.784 2.284 4.821 1.00 5.33 H new ATOM 0 HD11 LEU A 45 6.693 0.909 4.091 1.00 15.50 H new ATOM 0 HD12 LEU A 45 6.613 2.451 3.206 1.00 15.50 H new ATOM 0 HD13 LEU A 45 7.803 2.235 4.511 1.00 15.50 H new ATOM 0 HD21 LEU A 45 5.884 0.761 6.416 1.00 73.00 H new ATOM 0 HD22 LEU A 45 6.962 2.082 6.926 1.00 73.00 H new ATOM 0 HD23 LEU A 45 5.212 2.195 7.228 1.00 73.00 H new ATOM 568 N HIS A 46 4.633 6.988 5.537 1.00 73.10 N ATOM 569 CA HIS A 46 4.853 8.428 5.586 1.00 13.40 C ATOM 570 C HIS A 46 4.350 9.011 6.903 1.00 44.10 C ATOM 571 O HIS A 46 5.011 9.849 7.515 1.00 74.50 O ATOM 572 CB HIS A 46 4.151 9.113 4.411 1.00 75.50 C ATOM 573 CG HIS A 46 4.385 10.590 4.353 1.00 72.50 C ATOM 574 ND1 HIS A 46 5.398 11.164 3.613 1.00 23.10 N ATOM 575 CD2 HIS A 46 3.730 11.616 4.948 1.00 52.20 C ATOM 576 CE1 HIS A 46 5.357 12.477 3.756 1.00 2.45 C ATOM 577 NE2 HIS A 46 4.354 12.776 4.561 1.00 13.30 N ATOM 0 H HIS A 46 4.024 6.680 4.779 1.00 73.10 H new ATOM 0 HA HIS A 46 5.926 8.609 5.515 1.00 13.40 H new ATOM 0 HB2 HIS A 46 4.495 8.662 3.480 1.00 75.50 H new ATOM 0 HB3 HIS A 46 3.079 8.926 4.479 1.00 75.50 H new ATOM 0 HD2 HIS A 46 2.876 11.536 5.604 1.00 52.20 H new ATOM 0 HE1 HIS A 46 6.029 13.185 3.293 1.00 2.45 H new ATOM 0 HE2 HIS A 46 4.086 13.717 4.849 1.00 13.30 H new ATOM 586 N VAL A 47 3.175 8.562 7.333 1.00 10.50 N ATOM 587 CA VAL A 47 2.584 9.038 8.577 1.00 71.50 C ATOM 588 C VAL A 47 3.476 8.714 9.770 1.00 1.32 C ATOM 589 O VAL A 47 3.826 9.595 10.554 1.00 3.12 O ATOM 590 CB VAL A 47 1.191 8.422 8.810 1.00 73.10 C ATOM 591 CG1 VAL A 47 0.503 9.088 9.992 1.00 42.20 C ATOM 592 CG2 VAL A 47 0.340 8.535 7.555 1.00 11.20 C ATOM 0 H VAL A 47 2.614 7.869 6.838 1.00 10.50 H new ATOM 0 HA VAL A 47 2.484 10.119 8.485 1.00 71.50 H new ATOM 0 HB VAL A 47 1.316 7.364 9.041 1.00 73.10 H new ATOM 0 HG11 VAL A 47 -0.479 8.640 10.141 1.00 42.20 H new ATOM 0 HG12 VAL A 47 1.106 8.948 10.890 1.00 42.20 H new ATOM 0 HG13 VAL A 47 0.389 10.154 9.794 1.00 42.20 H new ATOM 0 HG21 VAL A 47 -0.640 8.095 7.739 1.00 11.20 H new ATOM 0 HG22 VAL A 47 0.222 9.585 7.289 1.00 11.20 H new ATOM 0 HG23 VAL A 47 0.827 8.006 6.736 1.00 11.20 H new ATOM 602 N VAL A 48 3.843 7.443 9.899 1.00 1.11 N ATOM 603 CA VAL A 48 4.695 7.001 10.996 1.00 72.30 C ATOM 604 C VAL A 48 6.112 7.545 10.844 1.00 74.40 C ATOM 605 O VAL A 48 6.768 7.880 11.830 1.00 61.10 O ATOM 606 CB VAL A 48 4.754 5.465 11.080 1.00 62.20 C ATOM 607 CG1 VAL A 48 5.479 5.024 12.342 1.00 42.00 C ATOM 608 CG2 VAL A 48 3.353 4.873 11.027 1.00 24.50 C ATOM 0 H VAL A 48 3.563 6.701 9.257 1.00 1.11 H new ATOM 0 HA VAL A 48 4.255 7.390 11.914 1.00 72.30 H new ATOM 0 HB VAL A 48 5.314 5.095 10.221 1.00 62.20 H new ATOM 0 HG11 VAL A 48 5.510 3.935 12.382 1.00 42.00 H new ATOM 0 HG12 VAL A 48 6.496 5.416 12.333 1.00 42.00 H new ATOM 0 HG13 VAL A 48 4.951 5.405 13.217 1.00 42.00 H new ATOM 0 HG21 VAL A 48 3.415 3.786 11.088 1.00 24.50 H new ATOM 0 HG22 VAL A 48 2.767 5.250 11.865 1.00 24.50 H new ATOM 0 HG23 VAL A 48 2.873 5.158 10.091 1.00 24.50 H new ATOM 618 N LYS A 49 6.577 7.628 9.602 1.00 15.50 N ATOM 619 CA LYS A 49 7.917 8.131 9.320 1.00 21.10 C ATOM 620 C LYS A 49 8.072 9.569 9.803 1.00 12.40 C ATOM 621 O LYS A 49 9.157 9.983 10.212 1.00 21.10 O ATOM 622 CB LYS A 49 8.208 8.050 7.820 1.00 2.42 C ATOM 623 CG LYS A 49 9.595 8.542 7.440 1.00 3.33 C ATOM 624 CD LYS A 49 10.682 7.729 8.124 1.00 43.40 C ATOM 625 CE LYS A 49 11.263 8.467 9.319 1.00 43.40 C ATOM 626 NZ LYS A 49 12.686 8.102 9.559 1.00 74.00 N ATOM 0 H LYS A 49 6.046 7.354 8.775 1.00 15.50 H new ATOM 0 HA LYS A 49 8.633 7.508 9.857 1.00 21.10 H new ATOM 0 HB2 LYS A 49 8.096 7.016 7.492 1.00 2.42 H new ATOM 0 HB3 LYS A 49 7.464 8.637 7.282 1.00 2.42 H new ATOM 0 HG2 LYS A 49 9.720 8.481 6.359 1.00 3.33 H new ATOM 0 HG3 LYS A 49 9.697 9.592 7.714 1.00 3.33 H new ATOM 0 HD2 LYS A 49 10.272 6.773 8.450 1.00 43.40 H new ATOM 0 HD3 LYS A 49 11.476 7.508 7.410 1.00 43.40 H new ATOM 0 HE2 LYS A 49 11.187 9.542 9.154 1.00 43.40 H new ATOM 0 HE3 LYS A 49 10.675 8.239 10.208 1.00 43.40 H new ATOM 0 HZ1 LYS A 49 13.045 8.627 10.382 1.00 74.00 H new ATOM 0 HZ2 LYS A 49 12.756 7.081 9.742 1.00 74.00 H new ATOM 0 HZ3 LYS A 49 13.252 8.343 8.721 1.00 74.00 H new ATOM 640 N TYR A 50 6.981 10.327 9.753 1.00 22.40 N ATOM 641 CA TYR A 50 6.998 11.719 10.185 1.00 72.10 C ATOM 642 C TYR A 50 6.351 11.872 11.558 1.00 22.20 C ATOM 643 O TYR A 50 7.018 12.214 12.534 1.00 72.20 O ATOM 644 CB TYR A 50 6.273 12.599 9.165 1.00 63.50 C ATOM 645 CG TYR A 50 7.063 12.834 7.897 1.00 30.40 C ATOM 646 CD1 TYR A 50 7.543 11.768 7.148 1.00 70.00 C ATOM 647 CD2 TYR A 50 7.329 14.123 7.450 1.00 73.00 C ATOM 648 CE1 TYR A 50 8.266 11.978 5.989 1.00 60.30 C ATOM 649 CE2 TYR A 50 8.051 14.341 6.292 1.00 72.10 C ATOM 650 CZ TYR A 50 8.517 13.266 5.566 1.00 63.20 C ATOM 651 OH TYR A 50 9.237 13.479 4.413 1.00 10.30 O ATOM 0 H TYR A 50 6.075 10.000 9.418 1.00 22.40 H new ATOM 0 HA TYR A 50 8.038 12.038 10.257 1.00 72.10 H new ATOM 0 HB2 TYR A 50 5.321 12.134 8.909 1.00 63.50 H new ATOM 0 HB3 TYR A 50 6.045 13.561 9.625 1.00 63.50 H new ATOM 0 HD1 TYR A 50 7.348 10.758 7.477 1.00 70.00 H new ATOM 0 HD2 TYR A 50 6.966 14.968 8.017 1.00 73.00 H new ATOM 0 HE1 TYR A 50 8.632 11.138 5.418 1.00 60.30 H new ATOM 0 HE2 TYR A 50 8.249 15.349 5.958 1.00 72.10 H new ATOM 0 HH TYR A 50 9.324 14.442 4.255 1.00 10.30 H new ATOM 661 N GLU A 51 5.049 11.617 11.625 1.00 0.45 N ATOM 662 CA GLU A 51 4.313 11.727 12.879 1.00 35.00 C ATOM 663 C GLU A 51 3.028 10.907 12.830 1.00 21.40 C ATOM 664 O GLU A 51 2.006 11.366 12.319 1.00 71.30 O ATOM 665 CB GLU A 51 3.986 13.192 13.176 1.00 41.40 C ATOM 666 CG GLU A 51 3.421 13.943 11.982 1.00 3.52 C ATOM 667 CD GLU A 51 2.569 15.129 12.389 1.00 21.40 C ATOM 668 OE1 GLU A 51 1.487 14.909 12.973 1.00 61.20 O ATOM 669 OE2 GLU A 51 2.983 16.277 12.124 1.00 35.00 O ATOM 0 H GLU A 51 4.482 11.333 10.826 1.00 0.45 H new ATOM 0 HA GLU A 51 4.943 11.334 13.677 1.00 35.00 H new ATOM 0 HB2 GLU A 51 3.269 13.237 13.995 1.00 41.40 H new ATOM 0 HB3 GLU A 51 4.891 13.696 13.517 1.00 41.40 H new ATOM 0 HG2 GLU A 51 4.242 14.289 11.353 1.00 3.52 H new ATOM 0 HG3 GLU A 51 2.823 13.261 11.378 1.00 3.52 H new ATOM 676 N ALA A 52 3.086 9.692 13.365 1.00 32.20 N ATOM 677 CA ALA A 52 1.927 8.808 13.383 1.00 62.00 C ATOM 678 C ALA A 52 0.823 9.369 14.273 1.00 63.00 C ATOM 679 O ALA A 52 0.890 10.516 14.714 1.00 42.10 O ATOM 680 CB ALA A 52 2.332 7.419 13.852 1.00 73.10 C ATOM 0 H ALA A 52 3.924 9.297 13.792 1.00 32.20 H new ATOM 0 HA ALA A 52 1.537 8.738 12.367 1.00 62.00 H new ATOM 0 HB1 ALA A 52 1.457 6.769 13.861 1.00 73.10 H new ATOM 0 HB2 ALA A 52 3.081 7.010 13.174 1.00 73.10 H new ATOM 0 HB3 ALA A 52 2.748 7.481 14.858 1.00 73.10 H new ATOM 686 N GLN A 53 -0.193 8.552 14.532 1.00 30.10 N ATOM 687 CA GLN A 53 -1.312 8.967 15.370 1.00 14.40 C ATOM 688 C GLN A 53 -1.055 8.621 16.833 1.00 74.00 C ATOM 689 O GLN A 53 -1.475 9.344 17.736 1.00 64.20 O ATOM 690 CB GLN A 53 -2.605 8.302 14.896 1.00 55.30 C ATOM 691 CG GLN A 53 -2.876 8.488 13.412 1.00 14.40 C ATOM 692 CD GLN A 53 -3.752 9.693 13.127 1.00 0.03 C ATOM 693 OE1 GLN A 53 -4.676 9.996 13.881 1.00 60.20 O ATOM 694 NE2 GLN A 53 -3.464 10.387 12.031 1.00 64.10 N ATOM 0 H GLN A 53 -0.264 7.600 14.174 1.00 30.10 H new ATOM 0 HA GLN A 53 -1.415 10.049 15.285 1.00 14.40 H new ATOM 0 HB2 GLN A 53 -2.558 7.236 15.117 1.00 55.30 H new ATOM 0 HB3 GLN A 53 -3.442 8.709 15.464 1.00 55.30 H new ATOM 0 HG2 GLN A 53 -1.929 8.599 12.884 1.00 14.40 H new ATOM 0 HG3 GLN A 53 -3.357 7.592 13.019 1.00 14.40 H new ATOM 0 HE21 GLN A 53 -2.688 10.099 11.434 1.00 64.10 H new ATOM 0 HE22 GLN A 53 -4.019 11.207 11.786 1.00 64.10 H new ATOM 703 N GLY A 54 -0.362 7.509 17.059 1.00 32.50 N ATOM 704 CA GLY A 54 -0.061 7.086 18.414 1.00 45.20 C ATOM 705 C GLY A 54 0.616 5.730 18.462 1.00 21.20 C ATOM 706 O GLY A 54 0.893 5.131 17.424 1.00 44.00 O ATOM 0 H GLY A 54 -0.004 6.894 16.328 1.00 32.50 H new ATOM 0 HA2 GLY A 54 0.583 7.827 18.888 1.00 45.20 H new ATOM 0 HA3 GLY A 54 -0.984 7.049 18.993 1.00 45.20 H new ATOM 710 N ASP A 55 0.881 5.246 19.671 1.00 53.00 N ATOM 711 CA ASP A 55 1.529 3.952 19.851 1.00 74.20 C ATOM 712 C ASP A 55 0.695 2.835 19.233 1.00 4.24 C ATOM 713 O ASP A 55 1.178 2.079 18.390 1.00 41.20 O ATOM 714 CB ASP A 55 1.755 3.673 21.338 1.00 31.30 C ATOM 715 CG ASP A 55 2.965 2.794 21.585 1.00 63.40 C ATOM 716 OD1 ASP A 55 3.919 2.859 20.781 1.00 1.21 O ATOM 717 OD2 ASP A 55 2.959 2.041 22.581 1.00 11.30 O ATOM 0 H ASP A 55 0.657 5.730 20.540 1.00 53.00 H new ATOM 0 HA ASP A 55 2.493 3.984 19.344 1.00 74.20 H new ATOM 0 HB2 ASP A 55 1.882 4.618 21.867 1.00 31.30 H new ATOM 0 HB3 ASP A 55 0.869 3.192 21.753 1.00 31.30 H new ATOM 722 N LYS A 56 -0.560 2.737 19.658 1.00 71.40 N ATOM 723 CA LYS A 56 -1.463 1.712 19.146 1.00 23.30 C ATOM 724 C LYS A 56 -1.649 1.854 17.638 1.00 3.21 C ATOM 725 O LYS A 56 -1.861 0.867 16.934 1.00 71.00 O ATOM 726 CB LYS A 56 -2.818 1.799 19.849 1.00 70.10 C ATOM 727 CG LYS A 56 -2.816 1.210 21.250 1.00 62.30 C ATOM 728 CD LYS A 56 -3.804 1.925 22.157 1.00 71.40 C ATOM 729 CE LYS A 56 -3.316 1.958 23.596 1.00 0.52 C ATOM 730 NZ LYS A 56 -3.701 3.221 24.285 1.00 44.40 N ATOM 0 H LYS A 56 -0.975 3.355 20.356 1.00 71.40 H new ATOM 0 HA LYS A 56 -1.018 0.738 19.349 1.00 23.30 H new ATOM 0 HB2 LYS A 56 -3.123 2.844 19.904 1.00 70.10 H new ATOM 0 HB3 LYS A 56 -3.564 1.280 19.247 1.00 70.10 H new ATOM 0 HG2 LYS A 56 -3.067 0.150 21.201 1.00 62.30 H new ATOM 0 HG3 LYS A 56 -1.814 1.281 21.674 1.00 62.30 H new ATOM 0 HD2 LYS A 56 -3.956 2.944 21.800 1.00 71.40 H new ATOM 0 HD3 LYS A 56 -4.771 1.423 22.111 1.00 71.40 H new ATOM 0 HE2 LYS A 56 -3.729 1.108 24.139 1.00 0.52 H new ATOM 0 HE3 LYS A 56 -2.231 1.851 23.614 1.00 0.52 H new ATOM 0 HZ1 LYS A 56 -3.349 3.204 25.264 1.00 44.40 H new ATOM 0 HZ2 LYS A 56 -3.286 4.031 23.782 1.00 44.40 H new ATOM 0 HZ3 LYS A 56 -4.737 3.311 24.291 1.00 44.40 H new ATOM 744 N ALA A 57 -1.568 3.088 17.151 1.00 55.10 N ATOM 745 CA ALA A 57 -1.727 3.358 15.727 1.00 23.20 C ATOM 746 C ALA A 57 -0.498 2.913 14.943 1.00 4.32 C ATOM 747 O ALA A 57 -0.615 2.314 13.874 1.00 73.20 O ATOM 748 CB ALA A 57 -1.994 4.838 15.499 1.00 20.40 C ATOM 0 H ALA A 57 -1.393 3.916 17.721 1.00 55.10 H new ATOM 0 HA ALA A 57 -2.581 2.785 15.366 1.00 23.20 H new ATOM 0 HB1 ALA A 57 -2.111 5.026 14.432 1.00 20.40 H new ATOM 0 HB2 ALA A 57 -2.906 5.128 16.021 1.00 20.40 H new ATOM 0 HB3 ALA A 57 -1.157 5.422 15.881 1.00 20.40 H new ATOM 754 N LYS A 58 0.681 3.211 15.480 1.00 5.41 N ATOM 755 CA LYS A 58 1.933 2.841 14.830 1.00 3.32 C ATOM 756 C LYS A 58 2.028 1.329 14.651 1.00 23.10 C ATOM 757 O LYS A 58 2.257 0.839 13.545 1.00 55.00 O ATOM 758 CB LYS A 58 3.124 3.345 15.646 1.00 14.30 C ATOM 759 CG LYS A 58 3.247 4.860 15.671 1.00 60.30 C ATOM 760 CD LYS A 58 3.968 5.340 16.920 1.00 73.50 C ATOM 761 CE LYS A 58 3.676 6.805 17.202 1.00 41.50 C ATOM 762 NZ LYS A 58 4.662 7.705 16.542 1.00 20.30 N ATOM 0 H LYS A 58 0.795 3.708 16.364 1.00 5.41 H new ATOM 0 HA LYS A 58 1.953 3.307 13.845 1.00 3.32 H new ATOM 0 HB2 LYS A 58 3.034 2.979 16.669 1.00 14.30 H new ATOM 0 HB3 LYS A 58 4.040 2.921 15.236 1.00 14.30 H new ATOM 0 HG2 LYS A 58 3.787 5.197 14.786 1.00 60.30 H new ATOM 0 HG3 LYS A 58 2.254 5.307 15.628 1.00 60.30 H new ATOM 0 HD2 LYS A 58 3.661 4.736 17.774 1.00 73.50 H new ATOM 0 HD3 LYS A 58 5.042 5.198 16.799 1.00 73.50 H new ATOM 0 HE2 LYS A 58 2.672 7.049 16.854 1.00 41.50 H new ATOM 0 HE3 LYS A 58 3.691 6.977 18.278 1.00 41.50 H new ATOM 0 HZ1 LYS A 58 4.328 8.688 16.600 1.00 20.30 H new ATOM 0 HZ2 LYS A 58 5.582 7.623 17.021 1.00 20.30 H new ATOM 0 HZ3 LYS A 58 4.766 7.433 15.544 1.00 20.30 H new ATOM 776 N GLN A 59 1.850 0.597 15.745 1.00 63.40 N ATOM 777 CA GLN A 59 1.915 -0.860 15.709 1.00 71.40 C ATOM 778 C GLN A 59 0.862 -1.428 14.763 1.00 52.10 C ATOM 779 O GLN A 59 1.078 -2.457 14.123 1.00 24.20 O ATOM 780 CB GLN A 59 1.721 -1.435 17.113 1.00 12.30 C ATOM 781 CG GLN A 59 0.449 -0.959 17.795 1.00 62.30 C ATOM 782 CD GLN A 59 -0.700 -1.936 17.634 1.00 31.20 C ATOM 783 OE1 GLN A 59 -0.867 -2.547 16.579 1.00 61.30 O ATOM 784 NE2 GLN A 59 -1.499 -2.087 18.684 1.00 21.20 N ATOM 0 H GLN A 59 1.660 0.988 16.668 1.00 63.40 H new ATOM 0 HA GLN A 59 2.900 -1.146 15.340 1.00 71.40 H new ATOM 0 HB2 GLN A 59 1.705 -2.523 17.052 1.00 12.30 H new ATOM 0 HB3 GLN A 59 2.578 -1.163 17.730 1.00 12.30 H new ATOM 0 HG2 GLN A 59 0.645 -0.807 18.856 1.00 62.30 H new ATOM 0 HG3 GLN A 59 0.160 0.008 17.382 1.00 62.30 H new ATOM 0 HE21 GLN A 59 -1.323 -1.560 19.539 1.00 21.20 H new ATOM 0 HE22 GLN A 59 -2.289 -2.730 18.635 1.00 21.20 H new ATOM 793 N SER A 60 -0.278 -0.751 14.680 1.00 54.40 N ATOM 794 CA SER A 60 -1.366 -1.188 13.812 1.00 71.20 C ATOM 795 C SER A 60 -0.964 -1.087 12.344 1.00 64.30 C ATOM 796 O SER A 60 -1.158 -2.025 11.571 1.00 32.30 O ATOM 797 CB SER A 60 -2.620 -0.350 14.069 1.00 11.50 C ATOM 798 OG SER A 60 -3.742 -0.893 13.395 1.00 14.20 O ATOM 0 H SER A 60 -0.473 0.103 15.203 1.00 54.40 H new ATOM 0 HA SER A 60 -1.583 -2.232 14.040 1.00 71.20 H new ATOM 0 HB2 SER A 60 -2.820 -0.308 15.140 1.00 11.50 H new ATOM 0 HB3 SER A 60 -2.452 0.674 13.736 1.00 11.50 H new ATOM 0 HG SER A 60 -4.531 -0.341 13.576 1.00 14.20 H new ATOM 804 N ILE A 61 -0.403 0.058 11.967 1.00 3.13 N ATOM 805 CA ILE A 61 0.026 0.281 10.592 1.00 30.40 C ATOM 806 C ILE A 61 1.248 -0.567 10.254 1.00 23.30 C ATOM 807 O ILE A 61 1.405 -1.024 9.122 1.00 13.40 O ATOM 808 CB ILE A 61 0.358 1.765 10.339 1.00 41.20 C ATOM 809 CG1 ILE A 61 -0.803 2.653 10.792 1.00 0.03 C ATOM 810 CG2 ILE A 61 0.666 1.999 8.868 1.00 64.30 C ATOM 811 CD1 ILE A 61 -0.403 4.093 11.034 1.00 74.10 C ATOM 0 H ILE A 61 -0.235 0.845 12.594 1.00 3.13 H new ATOM 0 HA ILE A 61 -0.805 -0.011 9.950 1.00 30.40 H new ATOM 0 HB ILE A 61 1.242 2.027 10.920 1.00 41.20 H new ATOM 0 HG12 ILE A 61 -1.588 2.624 10.036 1.00 0.03 H new ATOM 0 HG13 ILE A 61 -1.227 2.243 11.709 1.00 0.03 H new ATOM 0 HG21 ILE A 61 0.898 3.052 8.708 1.00 64.30 H new ATOM 0 HG22 ILE A 61 1.521 1.390 8.574 1.00 64.30 H new ATOM 0 HG23 ILE A 61 -0.200 1.723 8.267 1.00 64.30 H new ATOM 0 HD11 ILE A 61 -1.275 4.664 11.352 1.00 74.10 H new ATOM 0 HD12 ILE A 61 0.360 4.133 11.811 1.00 74.10 H new ATOM 0 HD13 ILE A 61 -0.006 4.520 10.113 1.00 74.10 H new ATOM 823 N ARG A 62 2.110 -0.776 11.244 1.00 41.10 N ATOM 824 CA ARG A 62 3.317 -1.571 11.051 1.00 1.22 C ATOM 825 C ARG A 62 2.970 -2.986 10.599 1.00 45.50 C ATOM 826 O ARG A 62 3.564 -3.511 9.658 1.00 65.20 O ATOM 827 CB ARG A 62 4.132 -1.621 12.345 1.00 43.40 C ATOM 828 CG ARG A 62 5.039 -0.418 12.540 1.00 53.50 C ATOM 829 CD ARG A 62 5.444 -0.256 13.997 1.00 51.30 C ATOM 830 NE ARG A 62 6.541 0.696 14.157 1.00 60.30 N ATOM 831 CZ ARG A 62 6.943 1.172 15.334 1.00 73.40 C ATOM 832 NH1 ARG A 62 6.342 0.787 16.453 1.00 3.02 N ATOM 833 NH2 ARG A 62 7.949 2.034 15.391 1.00 43.30 N ATOM 0 H ARG A 62 1.995 -0.406 12.188 1.00 41.10 H new ATOM 0 HA ARG A 62 3.914 -1.097 10.272 1.00 1.22 H new ATOM 0 HB2 ARG A 62 3.449 -1.692 13.192 1.00 43.40 H new ATOM 0 HB3 ARG A 62 4.738 -2.527 12.348 1.00 43.40 H new ATOM 0 HG2 ARG A 62 5.931 -0.530 11.924 1.00 53.50 H new ATOM 0 HG3 ARG A 62 4.528 0.483 12.201 1.00 53.50 H new ATOM 0 HD2 ARG A 62 4.585 0.080 14.577 1.00 51.30 H new ATOM 0 HD3 ARG A 62 5.742 -1.224 14.400 1.00 51.30 H new ATOM 0 HE ARG A 62 7.027 1.014 13.319 1.00 60.30 H new ATOM 0 HH11 ARG A 62 5.568 0.123 16.414 1.00 3.02 H new ATOM 0 HH12 ARG A 62 6.654 1.155 17.352 1.00 3.02 H new ATOM 0 HH21 ARG A 62 8.414 2.332 14.534 1.00 43.30 H new ATOM 0 HH22 ARG A 62 8.257 2.399 16.292 1.00 43.30 H new ATOM 847 N ALA A 63 2.004 -3.597 11.277 1.00 74.20 N ATOM 848 CA ALA A 63 1.577 -4.951 10.945 1.00 32.20 C ATOM 849 C ALA A 63 0.861 -4.985 9.599 1.00 4.31 C ATOM 850 O ALA A 63 0.933 -5.976 8.872 1.00 3.42 O ATOM 851 CB ALA A 63 0.675 -5.502 12.039 1.00 63.40 C ATOM 0 H ALA A 63 1.502 -3.176 12.059 1.00 74.20 H new ATOM 0 HA ALA A 63 2.465 -5.579 10.871 1.00 32.20 H new ATOM 0 HB1 ALA A 63 0.363 -6.513 11.779 1.00 63.40 H new ATOM 0 HB2 ALA A 63 1.219 -5.522 12.983 1.00 63.40 H new ATOM 0 HB3 ALA A 63 -0.204 -4.866 12.140 1.00 63.40 H new ATOM 857 N LYS A 64 0.171 -3.897 9.274 1.00 42.20 N ATOM 858 CA LYS A 64 -0.558 -3.802 8.015 1.00 1.41 C ATOM 859 C LYS A 64 0.395 -3.537 6.853 1.00 52.40 C ATOM 860 O LYS A 64 0.249 -4.110 5.774 1.00 13.50 O ATOM 861 CB LYS A 64 -1.608 -2.692 8.092 1.00 1.44 C ATOM 862 CG LYS A 64 -2.757 -3.008 9.034 1.00 61.50 C ATOM 863 CD LYS A 64 -3.796 -1.898 9.038 1.00 75.30 C ATOM 864 CE LYS A 64 -3.201 -0.579 9.504 1.00 54.30 C ATOM 865 NZ LYS A 64 -4.223 0.502 9.562 1.00 3.45 N ATOM 0 H LYS A 64 0.101 -3.069 9.865 1.00 42.20 H new ATOM 0 HA LYS A 64 -1.058 -4.755 7.841 1.00 1.41 H new ATOM 0 HB2 LYS A 64 -1.126 -1.769 8.416 1.00 1.44 H new ATOM 0 HB3 LYS A 64 -2.007 -2.510 7.094 1.00 1.44 H new ATOM 0 HG2 LYS A 64 -3.226 -3.946 8.736 1.00 61.50 H new ATOM 0 HG3 LYS A 64 -2.372 -3.151 10.044 1.00 61.50 H new ATOM 0 HD2 LYS A 64 -4.207 -1.779 8.035 1.00 75.30 H new ATOM 0 HD3 LYS A 64 -4.624 -2.176 9.690 1.00 75.30 H new ATOM 0 HE2 LYS A 64 -2.755 -0.710 10.490 1.00 54.30 H new ATOM 0 HE3 LYS A 64 -2.399 -0.284 8.828 1.00 54.30 H new ATOM 0 HZ1 LYS A 64 -3.777 1.385 9.884 1.00 3.45 H new ATOM 0 HZ2 LYS A 64 -4.631 0.645 8.616 1.00 3.45 H new ATOM 0 HZ3 LYS A 64 -4.976 0.232 10.226 1.00 3.45 H new ATOM 879 N CYS A 65 1.371 -2.664 7.083 1.00 61.20 N ATOM 880 CA CYS A 65 2.348 -2.323 6.056 1.00 53.30 C ATOM 881 C CYS A 65 3.153 -3.550 5.642 1.00 25.20 C ATOM 882 O CYS A 65 3.589 -3.661 4.496 1.00 11.50 O ATOM 883 CB CYS A 65 3.290 -1.228 6.562 1.00 33.30 C ATOM 884 SG CYS A 65 2.729 0.452 6.201 1.00 64.30 S ATOM 0 H CYS A 65 1.506 -2.180 7.971 1.00 61.20 H new ATOM 0 HA CYS A 65 1.808 -1.954 5.184 1.00 53.30 H new ATOM 0 HB2 CYS A 65 3.410 -1.336 7.640 1.00 33.30 H new ATOM 0 HB3 CYS A 65 4.274 -1.375 6.116 1.00 33.30 H new ATOM 0 HG CYS A 65 3.153 1.260 7.127 1.00 64.30 H new ATOM 890 N THR A 66 3.346 -4.470 6.582 1.00 42.10 N ATOM 891 CA THR A 66 4.099 -5.690 6.313 1.00 43.10 C ATOM 892 C THR A 66 3.221 -6.732 5.629 1.00 41.10 C ATOM 893 O THR A 66 3.702 -7.536 4.830 1.00 14.20 O ATOM 894 CB THR A 66 4.667 -6.260 7.614 1.00 14.10 C ATOM 895 OG1 THR A 66 5.382 -7.458 7.366 1.00 70.10 O ATOM 896 CG2 THR A 66 3.605 -6.565 8.648 1.00 22.30 C ATOM 0 H THR A 66 2.992 -4.394 7.536 1.00 42.10 H new ATOM 0 HA THR A 66 4.922 -5.439 5.644 1.00 43.10 H new ATOM 0 HB THR A 66 5.322 -5.483 8.008 1.00 14.10 H new ATOM 0 HG1 THR A 66 5.739 -7.807 8.210 1.00 70.10 H new ATOM 0 HG21 THR A 66 4.076 -6.966 9.546 1.00 22.30 H new ATOM 0 HG22 THR A 66 3.067 -5.650 8.898 1.00 22.30 H new ATOM 0 HG23 THR A 66 2.906 -7.299 8.246 1.00 22.30 H new ATOM 904 N GLU A 67 1.930 -6.712 5.946 1.00 63.50 N ATOM 905 CA GLU A 67 0.985 -7.655 5.361 1.00 60.30 C ATOM 906 C GLU A 67 0.711 -7.315 3.900 1.00 12.30 C ATOM 907 O GLU A 67 0.745 -8.188 3.032 1.00 65.30 O ATOM 908 CB GLU A 67 -0.325 -7.653 6.152 1.00 73.10 C ATOM 909 CG GLU A 67 -1.355 -8.639 5.626 1.00 63.40 C ATOM 910 CD GLU A 67 -0.907 -10.080 5.766 1.00 34.40 C ATOM 911 OE1 GLU A 67 -1.138 -10.670 6.842 1.00 65.10 O ATOM 912 OE2 GLU A 67 -0.324 -10.610 4.801 1.00 72.30 O ATOM 0 H GLU A 67 1.515 -6.053 6.605 1.00 63.50 H new ATOM 0 HA GLU A 67 1.427 -8.650 5.407 1.00 60.30 H new ATOM 0 HB2 GLU A 67 -0.110 -7.886 7.195 1.00 73.10 H new ATOM 0 HB3 GLU A 67 -0.751 -6.650 6.131 1.00 73.10 H new ATOM 0 HG2 GLU A 67 -2.293 -8.500 6.164 1.00 63.40 H new ATOM 0 HG3 GLU A 67 -1.555 -8.425 4.576 1.00 63.40 H new ATOM 919 N TYR A 68 0.439 -6.041 3.635 1.00 24.30 N ATOM 920 CA TYR A 68 0.159 -5.586 2.278 1.00 72.50 C ATOM 921 C TYR A 68 1.388 -5.741 1.388 1.00 52.00 C ATOM 922 O TYR A 68 1.286 -6.185 0.245 1.00 12.20 O ATOM 923 CB TYR A 68 -0.294 -4.125 2.292 1.00 33.20 C ATOM 924 CG TYR A 68 -1.631 -3.911 2.966 1.00 44.00 C ATOM 925 CD1 TYR A 68 -2.692 -4.779 2.738 1.00 14.20 C ATOM 926 CD2 TYR A 68 -1.832 -2.842 3.829 1.00 4.34 C ATOM 927 CE1 TYR A 68 -3.915 -4.586 3.352 1.00 15.30 C ATOM 928 CE2 TYR A 68 -3.052 -2.643 4.447 1.00 60.40 C ATOM 929 CZ TYR A 68 -4.090 -3.518 4.205 1.00 73.00 C ATOM 930 OH TYR A 68 -5.307 -3.323 4.818 1.00 52.40 O ATOM 0 H TYR A 68 0.407 -5.306 4.342 1.00 24.30 H new ATOM 0 HA TYR A 68 -0.642 -6.204 1.872 1.00 72.50 H new ATOM 0 HB2 TYR A 68 0.460 -3.525 2.801 1.00 33.20 H new ATOM 0 HB3 TYR A 68 -0.352 -3.762 1.266 1.00 33.20 H new ATOM 0 HD1 TYR A 68 -2.559 -5.618 2.071 1.00 14.20 H new ATOM 0 HD2 TYR A 68 -1.021 -2.155 4.021 1.00 4.34 H new ATOM 0 HE1 TYR A 68 -4.730 -5.269 3.164 1.00 15.30 H new ATOM 0 HE2 TYR A 68 -3.192 -1.807 5.116 1.00 60.40 H new ATOM 0 HH TYR A 68 -5.262 -2.527 5.388 1.00 52.40 H new ATOM 940 N LEU A 69 2.548 -5.371 1.920 1.00 53.30 N ATOM 941 CA LEU A 69 3.797 -5.469 1.174 1.00 15.10 C ATOM 942 C LEU A 69 4.080 -6.913 0.772 1.00 41.10 C ATOM 943 O LEU A 69 4.564 -7.178 -0.328 1.00 53.00 O ATOM 944 CB LEU A 69 4.958 -4.923 2.008 1.00 23.20 C ATOM 945 CG LEU A 69 5.141 -3.405 1.948 1.00 3.41 C ATOM 946 CD1 LEU A 69 6.020 -2.928 3.093 1.00 31.10 C ATOM 947 CD2 LEU A 69 5.735 -2.994 0.609 1.00 15.20 C ATOM 0 H LEU A 69 2.649 -5.001 2.865 1.00 53.30 H new ATOM 0 HA LEU A 69 3.697 -4.872 0.268 1.00 15.10 H new ATOM 0 HB2 LEU A 69 4.807 -5.215 3.047 1.00 23.20 H new ATOM 0 HB3 LEU A 69 5.880 -5.398 1.674 1.00 23.20 H new ATOM 0 HG LEU A 69 4.163 -2.935 2.049 1.00 3.41 H new ATOM 0 HD11 LEU A 69 6.139 -1.846 3.034 1.00 31.10 H new ATOM 0 HD12 LEU A 69 5.554 -3.191 4.043 1.00 31.10 H new ATOM 0 HD13 LEU A 69 6.998 -3.405 3.024 1.00 31.10 H new ATOM 0 HD21 LEU A 69 5.859 -1.911 0.583 1.00 15.20 H new ATOM 0 HD22 LEU A 69 6.705 -3.473 0.479 1.00 15.20 H new ATOM 0 HD23 LEU A 69 5.067 -3.302 -0.195 1.00 15.20 H new ATOM 959 N ASP A 70 3.774 -7.842 1.672 1.00 62.50 N ATOM 960 CA ASP A 70 3.995 -9.260 1.411 1.00 2.54 C ATOM 961 C ASP A 70 3.198 -9.721 0.195 1.00 50.50 C ATOM 962 O ASP A 70 3.723 -10.400 -0.680 1.00 44.30 O ATOM 963 CB ASP A 70 3.607 -10.090 2.635 1.00 40.50 C ATOM 964 CG ASP A 70 4.454 -11.340 2.777 1.00 72.10 C ATOM 965 OD1 ASP A 70 4.419 -12.180 1.860 1.00 33.30 O ATOM 966 OD2 ASP A 70 5.152 -11.470 3.804 1.00 62.20 O ATOM 0 H ASP A 70 3.373 -7.639 2.587 1.00 62.50 H new ATOM 0 HA ASP A 70 5.055 -9.405 1.203 1.00 2.54 H new ATOM 0 HB2 ASP A 70 3.711 -9.480 3.532 1.00 40.50 H new ATOM 0 HB3 ASP A 70 2.557 -10.372 2.561 1.00 40.50 H new ATOM 971 N ARG A 71 1.926 -9.337 0.149 1.00 20.10 N ATOM 972 CA ARG A 71 1.055 -9.711 -0.960 1.00 24.40 C ATOM 973 C ARG A 71 1.449 -8.971 -2.234 1.00 63.20 C ATOM 974 O ARG A 71 1.625 -9.580 -3.289 1.00 51.40 O ATOM 975 CB ARG A 71 -0.404 -9.413 -0.613 1.00 55.10 C ATOM 976 CG ARG A 71 -1.393 -10.350 -1.284 1.00 61.50 C ATOM 977 CD ARG A 71 -2.770 -10.260 -0.645 1.00 30.40 C ATOM 978 NE ARG A 71 -3.836 -10.560 -1.595 1.00 32.10 N ATOM 979 CZ ARG A 71 -5.087 -10.840 -1.240 1.00 31.20 C ATOM 980 NH1 ARG A 71 -5.432 -10.870 0.041 1.00 71.50 N ATOM 981 NH2 ARG A 71 -5.996 -11.110 -2.169 1.00 72.20 N ATOM 0 H ARG A 71 1.476 -8.768 0.866 1.00 20.10 H new ATOM 0 HA ARG A 71 1.168 -10.781 -1.133 1.00 24.40 H new ATOM 0 HB2 ARG A 71 -0.532 -9.477 0.468 1.00 55.10 H new ATOM 0 HB3 ARG A 71 -0.635 -8.388 -0.901 1.00 55.10 H new ATOM 0 HG2 ARG A 71 -1.466 -10.105 -2.344 1.00 61.50 H new ATOM 0 HG3 ARG A 71 -1.027 -11.375 -1.218 1.00 61.50 H new ATOM 0 HD2 ARG A 71 -2.826 -10.954 0.194 1.00 30.40 H new ATOM 0 HD3 ARG A 71 -2.917 -9.259 -0.240 1.00 30.40 H new ATOM 0 HE ARG A 71 -3.609 -10.555 -2.589 1.00 32.10 H new ATOM 0 HH11 ARG A 71 -4.736 -10.678 0.761 1.00 71.50 H new ATOM 0 HH12 ARG A 71 -6.393 -11.085 0.305 1.00 71.50 H new ATOM 0 HH21 ARG A 71 -5.735 -11.103 -3.155 1.00 72.20 H new ATOM 0 HH22 ARG A 71 -6.955 -11.325 -1.897 1.00 72.20 H new ATOM 995 N ALA A 72 1.584 -7.653 -2.129 1.00 25.20 N ATOM 996 CA ALA A 72 1.956 -6.829 -3.272 1.00 44.00 C ATOM 997 C ALA A 72 3.323 -7.231 -3.817 1.00 33.10 C ATOM 998 O ALA A 72 3.557 -7.191 -5.025 1.00 33.30 O ATOM 999 CB ALA A 72 1.952 -5.358 -2.886 1.00 62.10 C ATOM 0 H ALA A 72 1.441 -7.133 -1.263 1.00 25.20 H new ATOM 0 HA ALA A 72 1.219 -6.989 -4.059 1.00 44.00 H new ATOM 0 HB1 ALA A 72 2.232 -4.754 -3.749 1.00 62.10 H new ATOM 0 HB2 ALA A 72 0.955 -5.072 -2.551 1.00 62.10 H new ATOM 0 HB3 ALA A 72 2.667 -5.191 -2.080 1.00 62.10 H new ATOM 1005 N GLU A 73 4.222 -7.618 -2.918 1.00 42.20 N ATOM 1006 CA GLU A 73 5.566 -8.027 -3.308 1.00 53.30 C ATOM 1007 C GLU A 73 5.518 -9.231 -4.243 1.00 13.20 C ATOM 1008 O GLU A 73 6.159 -9.240 -5.293 1.00 4.11 O ATOM 1009 CB GLU A 73 6.400 -8.360 -2.070 1.00 32.00 C ATOM 1010 CG GLU A 73 7.085 -7.151 -1.454 1.00 63.40 C ATOM 1011 CD GLU A 73 8.559 -7.078 -1.798 1.00 71.10 C ATOM 1012 OE1 GLU A 73 9.238 -8.125 -1.728 1.00 71.10 O ATOM 1013 OE2 GLU A 73 9.036 -5.975 -2.137 1.00 63.50 O ATOM 0 H GLU A 73 4.044 -7.657 -1.914 1.00 42.20 H new ATOM 0 HA GLU A 73 6.032 -7.197 -3.838 1.00 53.30 H new ATOM 0 HB2 GLU A 73 5.756 -8.822 -1.322 1.00 32.00 H new ATOM 0 HB3 GLU A 73 7.156 -9.097 -2.339 1.00 32.00 H new ATOM 0 HG2 GLU A 73 6.590 -6.243 -1.798 1.00 63.40 H new ATOM 0 HG3 GLU A 73 6.970 -7.186 -0.371 1.00 63.40 H new ATOM 1020 N LYS A 74 4.754 -10.240 -3.852 1.00 72.30 N ATOM 1021 CA LYS A 74 4.623 -11.450 -4.655 1.00 72.10 C ATOM 1022 C LYS A 74 3.733 -11.210 -5.870 1.00 74.50 C ATOM 1023 O LYS A 74 3.936 -11.800 -6.931 1.00 34.30 O ATOM 1024 CB LYS A 74 4.048 -12.590 -3.810 1.00 44.30 C ATOM 1025 CG LYS A 74 4.149 -13.950 -4.475 1.00 42.30 C ATOM 1026 CD LYS A 74 3.932 -15.080 -3.476 1.00 11.40 C ATOM 1027 CE LYS A 74 2.456 -15.410 -3.322 1.00 44.30 C ATOM 1028 NZ LYS A 74 2.247 -16.800 -2.837 1.00 20.00 N ATOM 0 H LYS A 74 4.216 -10.247 -2.986 1.00 72.30 H new ATOM 0 HA LYS A 74 5.617 -11.728 -5.005 1.00 72.10 H new ATOM 0 HB2 LYS A 74 4.571 -12.622 -2.854 1.00 44.30 H new ATOM 0 HB3 LYS A 74 3.001 -12.378 -3.593 1.00 44.30 H new ATOM 0 HG2 LYS A 74 3.409 -14.022 -5.273 1.00 42.30 H new ATOM 0 HG3 LYS A 74 5.130 -14.057 -4.939 1.00 42.30 H new ATOM 0 HD2 LYS A 74 4.472 -15.968 -3.806 1.00 11.40 H new ATOM 0 HD3 LYS A 74 4.346 -14.796 -2.508 1.00 11.40 H new ATOM 0 HE2 LYS A 74 1.998 -14.709 -2.624 1.00 44.30 H new ATOM 0 HE3 LYS A 74 1.953 -15.280 -4.280 1.00 44.30 H new ATOM 0 HZ1 LYS A 74 1.228 -16.986 -2.745 1.00 20.00 H new ATOM 0 HZ2 LYS A 74 2.662 -17.470 -3.515 1.00 20.00 H new ATOM 0 HZ3 LYS A 74 2.705 -16.917 -1.911 1.00 20.00 H new ATOM 1042 N LEU A 75 2.747 -10.330 -5.706 1.00 52.50 N ATOM 1043 CA LEU A 75 1.827 -10.010 -6.790 1.00 43.40 C ATOM 1044 C LEU A 75 2.575 -9.415 -7.979 1.00 40.10 C ATOM 1045 O LEU A 75 2.428 -9.875 -9.111 1.00 62.30 O ATOM 1046 CB LEU A 75 0.753 -9.035 -6.300 1.00 52.40 C ATOM 1047 CG LEU A 75 -0.675 -9.582 -6.318 1.00 33.50 C ATOM 1048 CD1 LEU A 75 -1.023 -10.210 -4.977 1.00 13.10 C ATOM 1049 CD2 LEU A 75 -1.664 -8.480 -6.665 1.00 60.40 C ATOM 0 H LEU A 75 2.567 -9.829 -4.836 1.00 52.50 H new ATOM 0 HA LEU A 75 1.347 -10.933 -7.115 1.00 43.40 H new ATOM 0 HB2 LEU A 75 0.997 -8.732 -5.282 1.00 52.40 H new ATOM 0 HB3 LEU A 75 0.790 -8.138 -6.917 1.00 52.40 H new ATOM 0 HG LEU A 75 -0.738 -10.354 -7.085 1.00 33.50 H new ATOM 0 HD11 LEU A 75 -2.043 -10.594 -5.009 1.00 13.10 H new ATOM 0 HD12 LEU A 75 -0.334 -11.028 -4.769 1.00 13.10 H new ATOM 0 HD13 LEU A 75 -0.942 -9.459 -4.191 1.00 13.10 H new ATOM 0 HD21 LEU A 75 -2.675 -8.888 -6.673 1.00 60.40 H new ATOM 0 HD22 LEU A 75 -1.599 -7.686 -5.922 1.00 60.40 H new ATOM 0 HD23 LEU A 75 -1.428 -8.076 -7.649 1.00 60.40 H new ATOM 1061 N LYS A 76 3.378 -8.391 -7.712 1.00 63.40 N ATOM 1062 CA LYS A 76 4.151 -7.733 -8.759 1.00 11.40 C ATOM 1063 C LYS A 76 5.257 -8.647 -9.277 1.00 61.30 C ATOM 1064 O LYS A 76 5.677 -8.538 -10.420 1.00 13.20 O ATOM 1065 CB LYS A 76 4.756 -6.430 -8.232 1.00 15.20 C ATOM 1066 CG LYS A 76 5.758 -6.636 -7.108 1.00 13.20 C ATOM 1067 CD LYS A 76 6.001 -5.349 -6.336 1.00 31.40 C ATOM 1068 CE LYS A 76 7.389 -5.326 -5.716 1.00 41.40 C ATOM 1069 NZ LYS A 76 7.934 -3.943 -5.627 1.00 52.50 N ATOM 0 H LYS A 76 3.511 -7.999 -6.780 1.00 63.40 H new ATOM 0 HA LYS A 76 3.477 -7.506 -9.585 1.00 11.40 H new ATOM 0 HB2 LYS A 76 5.247 -5.908 -9.054 1.00 15.20 H new ATOM 0 HB3 LYS A 76 3.953 -5.783 -7.878 1.00 15.20 H new ATOM 0 HG2 LYS A 76 5.391 -7.405 -6.429 1.00 13.20 H new ATOM 0 HG3 LYS A 76 6.700 -6.998 -7.520 1.00 13.20 H new ATOM 0 HD2 LYS A 76 5.885 -4.495 -7.004 1.00 31.40 H new ATOM 0 HD3 LYS A 76 5.250 -5.245 -5.553 1.00 31.40 H new ATOM 0 HE2 LYS A 76 7.349 -5.765 -4.719 1.00 41.40 H new ATOM 0 HE3 LYS A 76 8.062 -5.944 -6.310 1.00 41.40 H new ATOM 0 HZ1 LYS A 76 8.881 -3.970 -5.199 1.00 52.50 H new ATOM 0 HZ2 LYS A 76 7.996 -3.532 -6.580 1.00 52.50 H new ATOM 0 HZ3 LYS A 76 7.305 -3.359 -5.039 1.00 52.50 H new ATOM 1083 N GLU A 77 5.726 -9.548 -8.418 1.00 63.30 N ATOM 1084 CA GLU A 77 6.786 -10.480 -8.787 1.00 22.00 C ATOM 1085 C GLU A 77 6.416 -11.260 -10.040 1.00 22.50 C ATOM 1086 O GLU A 77 7.168 -11.280 -11.010 1.00 40.40 O ATOM 1087 CB GLU A 77 7.069 -11.440 -7.633 1.00 25.30 C ATOM 1088 CG GLU A 77 8.149 -10.950 -6.682 1.00 24.20 C ATOM 1089 CD GLU A 77 8.185 -11.740 -5.387 1.00 1.50 C ATOM 1090 OE1 GLU A 77 8.357 -12.970 -5.447 1.00 14.30 O ATOM 1091 OE2 GLU A 77 8.043 -11.120 -4.312 1.00 13.40 O ATOM 0 H GLU A 77 5.388 -9.652 -7.461 1.00 63.30 H new ATOM 0 HA GLU A 77 7.686 -9.904 -8.999 1.00 22.00 H new ATOM 0 HB2 GLU A 77 6.149 -11.601 -7.072 1.00 25.30 H new ATOM 0 HB3 GLU A 77 7.367 -12.406 -8.040 1.00 25.30 H new ATOM 0 HG2 GLU A 77 9.120 -11.019 -7.173 1.00 24.20 H new ATOM 0 HG3 GLU A 77 7.980 -9.897 -6.457 1.00 24.20 H new ATOM 1098 N TYR A 78 5.257 -11.910 -10.010 1.00 14.10 N ATOM 1099 CA TYR A 78 4.797 -12.700 -11.150 1.00 41.50 C ATOM 1100 C TYR A 78 4.402 -11.800 -12.310 1.00 31.30 C ATOM 1101 O TYR A 78 4.582 -12.150 -13.480 1.00 33.10 O ATOM 1102 CB TYR A 78 3.619 -13.590 -10.740 1.00 50.00 C ATOM 1103 CG TYR A 78 2.283 -12.880 -10.680 1.00 31.30 C ATOM 1104 CD1 TYR A 78 1.578 -12.600 -11.850 1.00 30.40 C ATOM 1105 CD2 TYR A 78 1.727 -12.500 -9.475 1.00 72.50 C ATOM 1106 CE1 TYR A 78 0.358 -11.950 -11.800 1.00 63.20 C ATOM 1107 CE2 TYR A 78 0.506 -11.850 -9.424 1.00 62.10 C ATOM 1108 CZ TYR A 78 -0.173 -11.580 -10.590 1.00 44.10 C ATOM 1109 OH TYR A 78 -1.388 -10.940 -10.540 1.00 50.50 O ATOM 0 H TYR A 78 4.620 -11.907 -9.213 1.00 14.10 H new ATOM 0 HA TYR A 78 5.619 -13.336 -11.478 1.00 41.50 H new ATOM 0 HB2 TYR A 78 3.544 -14.418 -11.445 1.00 50.00 H new ATOM 0 HB3 TYR A 78 3.830 -14.022 -9.762 1.00 50.00 H new ATOM 0 HD1 TYR A 78 1.989 -12.894 -12.805 1.00 30.40 H new ATOM 0 HD2 TYR A 78 2.254 -12.713 -8.557 1.00 72.50 H new ATOM 0 HE1 TYR A 78 -0.177 -11.734 -12.713 1.00 63.20 H new ATOM 0 HE2 TYR A 78 0.088 -11.556 -8.473 1.00 62.10 H new ATOM 0 HH TYR A 78 -1.958 -11.372 -9.870 1.00 50.50 H new ATOM 1119 N LEU A 79 3.864 -10.620 -11.990 1.00 43.50 N ATOM 1120 CA LEU A 79 3.444 -9.673 -13.010 1.00 73.30 C ATOM 1121 C LEU A 79 4.646 -9.125 -13.770 1.00 34.20 C ATOM 1122 O LEU A 79 4.568 -8.867 -14.970 1.00 62.20 O ATOM 1123 CB LEU A 79 2.664 -8.523 -12.360 1.00 42.00 C ATOM 1124 CG LEU A 79 1.244 -8.873 -11.920 1.00 3.21 C ATOM 1125 CD1 LEU A 79 0.616 -7.707 -11.170 1.00 3.30 C ATOM 1126 CD2 LEU A 79 0.392 -9.266 -13.120 1.00 73.50 C ATOM 0 H LEU A 79 3.712 -10.304 -11.032 1.00 43.50 H new ATOM 0 HA LEU A 79 2.799 -10.192 -13.720 1.00 73.30 H new ATOM 0 HB2 LEU A 79 3.221 -8.172 -11.491 1.00 42.00 H new ATOM 0 HB3 LEU A 79 2.616 -7.693 -13.065 1.00 42.00 H new ATOM 0 HG LEU A 79 1.293 -9.727 -11.245 1.00 3.21 H new ATOM 0 HD11 LEU A 79 -0.396 -7.974 -10.864 1.00 3.30 H new ATOM 0 HD12 LEU A 79 1.214 -7.478 -10.288 1.00 3.30 H new ATOM 0 HD13 LEU A 79 0.580 -6.833 -11.821 1.00 3.30 H new ATOM 0 HD21 LEU A 79 -0.616 -9.512 -12.786 1.00 73.50 H new ATOM 0 HD22 LEU A 79 0.348 -8.434 -13.823 1.00 73.50 H new ATOM 0 HD23 LEU A 79 0.833 -10.134 -13.611 1.00 73.50 H new ATOM 1138 N LYS A 80 5.758 -8.949 -13.060 1.00 74.00 N ATOM 1139 CA LYS A 80 6.977 -8.431 -13.670 1.00 71.20 C ATOM 1140 C LYS A 80 7.697 -9.522 -14.460 1.00 65.40 C ATOM 1141 O LYS A 80 8.191 -9.283 -15.560 1.00 53.10 O ATOM 1142 CB LYS A 80 7.906 -7.862 -12.600 1.00 15.10 C ATOM 1143 CG LYS A 80 7.718 -6.373 -12.360 1.00 62.10 C ATOM 1144 CD LYS A 80 7.960 -6.008 -10.900 1.00 3.33 C ATOM 1145 CE LYS A 80 9.361 -5.458 -10.690 1.00 61.20 C ATOM 1146 NZ LYS A 80 10.298 -6.500 -10.190 1.00 4.23 N ATOM 0 H LYS A 80 5.839 -9.157 -12.065 1.00 74.00 H new ATOM 0 HA LYS A 80 6.698 -7.634 -14.359 1.00 71.20 H new ATOM 0 HB2 LYS A 80 7.739 -8.396 -11.665 1.00 15.10 H new ATOM 0 HB3 LYS A 80 8.940 -8.047 -12.893 1.00 15.10 H new ATOM 0 HG2 LYS A 80 8.403 -5.812 -12.995 1.00 62.10 H new ATOM 0 HG3 LYS A 80 6.707 -6.082 -12.646 1.00 62.10 H new ATOM 0 HD2 LYS A 80 7.226 -5.268 -10.582 1.00 3.33 H new ATOM 0 HD3 LYS A 80 7.816 -6.889 -10.275 1.00 3.33 H new ATOM 0 HE2 LYS A 80 9.737 -5.053 -11.630 1.00 61.20 H new ATOM 0 HE3 LYS A 80 9.324 -4.632 -9.979 1.00 61.20 H new ATOM 0 HZ1 LYS A 80 11.242 -6.084 -10.060 1.00 4.23 H new ATOM 0 HZ2 LYS A 80 9.954 -6.869 -9.281 1.00 4.23 H new ATOM 0 HZ3 LYS A 80 10.354 -7.277 -10.880 1.00 4.23 H new ATOM 1160 N ASN A 81 7.753 -10.710 -13.880 1.00 4.10 N ATOM 1161 CA ASN A 81 8.413 -11.840 -14.530 1.00 32.30 C ATOM 1162 C ASN A 81 7.756 -12.160 -15.870 1.00 34.10 C ATOM 1163 O ASN A 81 8.433 -12.500 -16.840 1.00 53.00 O ATOM 1164 CB ASN A 81 8.373 -13.070 -13.620 1.00 11.10 C ATOM 1165 CG ASN A 81 9.431 -13.030 -12.540 1.00 65.10 C ATOM 1166 OD1 ASN A 81 10.002 -11.970 -12.260 1.00 60.20 O ATOM 1167 ND2 ASN A 81 9.697 -14.170 -11.920 1.00 63.20 N ATOM 0 H ASN A 81 7.353 -10.920 -12.966 1.00 4.10 H new ATOM 0 HA ASN A 81 9.452 -11.566 -14.715 1.00 32.30 H new ATOM 0 HB2 ASN A 81 7.389 -13.143 -13.157 1.00 11.10 H new ATOM 0 HB3 ASN A 81 8.509 -13.968 -14.223 1.00 11.10 H new ATOM 0 HD21 ASN A 81 10.397 -14.196 -11.179 1.00 63.20 H new ATOM 0 HD22 ASN A 81 9.201 -15.022 -12.184 1.00 63.20 H new TER 1174 ASN A 81