USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 773 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 38 HIS : no HD1:sc= -0.0416 X(o=-0.31,f=-0.26) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= -0.265 USER MOD Set 2.1: A 79 GLN : amide:sc= 0.544 K(o=1.5,f=-5.4!) USER MOD Set 2.2: A 95 LYS NZ :NH3+ -158:sc= 0.972 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.0702 X(o=-0.07,f=-0.032) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 0.145 (180deg=0.0635) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0967 USER MOD Single : A 27 THR OG1 : rot 72:sc= 0.0712 USER MOD Single : A 30 GLN : amide:sc= -0.0997 K(o=-0.1,f=-1.1) USER MOD Single : A 32 THR OG1 : rot 79:sc= 1.05 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.6) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.156) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 149:sc= 0.0545 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -60:sc= 0.0966 USER MOD Single : A 70 ASN : amide:sc= -0.0383 X(o=-0.038,f=-0.44) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 94 MET CE :methyl -176:sc= 0 (180deg=-0.0209) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00224 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -158:sc= -0.07 (180deg=-0.396) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N HIS A 14 0.828 -0.481 -6.950 1.00 53.11 N ATOM 28 CA HIS A 14 1.665 -0.977 -8.036 1.00 64.32 C ATOM 29 C HIS A 14 0.874 -1.062 -9.338 1.00 34.34 C ATOM 30 O HIS A 14 -0.263 -1.534 -9.353 1.00 21.11 O ATOM 31 CB HIS A 14 2.236 -2.351 -7.682 1.00 14.12 C ATOM 32 CG HIS A 14 1.197 -3.426 -7.595 1.00 72.52 C ATOM 33 ND1 HIS A 14 0.494 -3.703 -6.442 1.00 10.25 N ATOM 34 CD2 HIS A 14 0.742 -4.295 -8.528 1.00 71.03 C ATOM 35 CE1 HIS A 14 -0.347 -4.696 -6.668 1.00 71.02 C ATOM 36 NE2 HIS A 14 -0.217 -5.073 -7.927 1.00 63.23 N ATOM 0 HA HIS A 14 2.487 -0.275 -8.177 1.00 64.32 H new ATOM 0 HB2 HIS A 14 2.976 -2.632 -8.431 1.00 14.12 H new ATOM 0 HB3 HIS A 14 2.758 -2.284 -6.728 1.00 14.12 H new ATOM 0 HD2 HIS A 14 1.072 -4.364 -9.554 1.00 71.03 H new ATOM 0 HE1 HIS A 14 -1.025 -5.126 -5.946 1.00 71.02 H new ATOM 0 HE2 HIS A 14 -0.743 -5.820 -8.379 1.00 63.23 H new ATOM 44 N GLN A 15 1.482 -0.602 -10.426 1.00 30.01 N ATOM 45 CA GLN A 15 0.832 -0.625 -11.731 1.00 63.21 C ATOM 46 C GLN A 15 1.767 -1.193 -12.794 1.00 50.44 C ATOM 47 O GLN A 15 2.910 -0.755 -12.929 1.00 63.43 O ATOM 48 CB GLN A 15 0.386 0.783 -12.127 1.00 55.20 C ATOM 49 CG GLN A 15 1.504 1.811 -12.083 1.00 4.32 C ATOM 50 CD GLN A 15 1.299 2.851 -10.999 1.00 52.32 C ATOM 51 OE1 GLN A 15 0.641 3.869 -11.216 1.00 53.12 O ATOM 52 NE2 GLN A 15 1.862 2.601 -9.823 1.00 63.42 N ATOM 0 H GLN A 15 2.423 -0.209 -10.430 1.00 30.01 H new ATOM 0 HA GLN A 15 -0.044 -1.270 -11.661 1.00 63.21 H new ATOM 0 HB2 GLN A 15 -0.029 0.753 -13.134 1.00 55.20 H new ATOM 0 HB3 GLN A 15 -0.416 1.102 -11.461 1.00 55.20 H new ATOM 0 HG2 GLN A 15 2.454 1.302 -11.918 1.00 4.32 H new ATOM 0 HG3 GLN A 15 1.573 2.309 -13.050 1.00 4.32 H new ATOM 0 HE21 GLN A 15 2.399 1.745 -9.686 1.00 63.42 H new ATOM 0 HE22 GLN A 15 1.757 3.265 -9.056 1.00 63.42 H new ATOM 61 N THR A 16 1.274 -2.170 -13.548 1.00 74.24 N ATOM 62 CA THR A 16 2.065 -2.799 -14.599 1.00 13.24 C ATOM 63 C THR A 16 1.178 -3.280 -15.742 1.00 0.34 C ATOM 64 O THR A 16 0.260 -4.073 -15.537 1.00 34.54 O ATOM 65 CB THR A 16 2.874 -3.991 -14.055 1.00 32.51 C ATOM 66 OG1 THR A 16 3.768 -3.549 -13.028 1.00 30.23 O ATOM 67 CG2 THR A 16 3.664 -4.662 -15.168 1.00 42.35 C ATOM 0 H THR A 16 0.330 -2.543 -13.451 1.00 74.24 H new ATOM 0 HA THR A 16 2.754 -2.042 -14.972 1.00 13.24 H new ATOM 0 HB THR A 16 2.175 -4.716 -13.639 1.00 32.51 H new ATOM 0 HG1 THR A 16 4.277 -4.313 -12.686 1.00 30.23 H new ATOM 0 HG21 THR A 16 4.227 -5.501 -14.760 1.00 42.35 H new ATOM 0 HG22 THR A 16 2.978 -5.024 -15.934 1.00 42.35 H new ATOM 0 HG23 THR A 16 4.354 -3.943 -15.609 1.00 42.35 H new ATOM 75 N VAL A 17 1.459 -2.794 -16.947 1.00 31.41 N ATOM 76 CA VAL A 17 0.688 -3.177 -18.124 1.00 14.53 C ATOM 77 C VAL A 17 1.523 -4.023 -19.077 1.00 60.23 C ATOM 78 O VAL A 17 2.738 -3.851 -19.174 1.00 64.51 O ATOM 79 CB VAL A 17 0.164 -1.940 -18.877 1.00 51.44 C ATOM 80 CG1 VAL A 17 -0.780 -2.355 -19.995 1.00 61.35 C ATOM 81 CG2 VAL A 17 -0.524 -0.982 -17.916 1.00 72.21 C ATOM 0 H VAL A 17 2.214 -2.135 -17.134 1.00 31.41 H new ATOM 0 HA VAL A 17 -0.159 -3.764 -17.770 1.00 14.53 H new ATOM 0 HB VAL A 17 1.013 -1.423 -19.324 1.00 51.44 H new ATOM 0 HG11 VAL A 17 -1.140 -1.468 -20.516 1.00 61.35 H new ATOM 0 HG12 VAL A 17 -0.251 -2.998 -20.698 1.00 61.35 H new ATOM 0 HG13 VAL A 17 -1.627 -2.897 -19.574 1.00 61.35 H new ATOM 0 HG21 VAL A 17 -0.888 -0.114 -18.466 1.00 72.21 H new ATOM 0 HG22 VAL A 17 -1.364 -1.487 -17.438 1.00 72.21 H new ATOM 0 HG23 VAL A 17 0.186 -0.658 -17.155 1.00 72.21 H new ATOM 91 N TYR A 18 0.864 -4.937 -19.780 1.00 74.22 N ATOM 92 CA TYR A 18 1.546 -5.813 -20.726 1.00 13.22 C ATOM 93 C TYR A 18 1.161 -5.469 -22.162 1.00 4.24 C ATOM 94 O TYR A 18 -0.018 -5.327 -22.484 1.00 72.02 O ATOM 95 CB TYR A 18 1.209 -7.276 -20.432 1.00 50.25 C ATOM 96 CG TYR A 18 1.302 -7.637 -18.967 1.00 44.42 C ATOM 97 CD1 TYR A 18 2.470 -8.172 -18.437 1.00 11.45 C ATOM 98 CD2 TYR A 18 0.223 -7.444 -18.114 1.00 4.35 C ATOM 99 CE1 TYR A 18 2.560 -8.503 -17.099 1.00 31.55 C ATOM 100 CE2 TYR A 18 0.305 -7.771 -16.774 1.00 72.20 C ATOM 101 CZ TYR A 18 1.475 -8.301 -16.271 1.00 51.03 C ATOM 102 OH TYR A 18 1.559 -8.630 -14.938 1.00 5.12 O ATOM 0 H TYR A 18 -0.142 -5.091 -19.713 1.00 74.22 H new ATOM 0 HA TYR A 18 2.620 -5.664 -20.611 1.00 13.22 H new ATOM 0 HB2 TYR A 18 0.199 -7.485 -20.786 1.00 50.25 H new ATOM 0 HB3 TYR A 18 1.885 -7.917 -20.999 1.00 50.25 H new ATOM 0 HD1 TYR A 18 3.321 -8.332 -19.082 1.00 11.45 H new ATOM 0 HD2 TYR A 18 -0.695 -7.031 -18.505 1.00 4.35 H new ATOM 0 HE1 TYR A 18 3.475 -8.918 -16.703 1.00 31.55 H new ATOM 0 HE2 TYR A 18 -0.543 -7.612 -16.124 1.00 72.20 H new ATOM 0 HH TYR A 18 0.709 -8.424 -14.496 1.00 5.12 H new ATOM 112 N VAL A 19 2.167 -5.336 -23.021 1.00 30.41 N ATOM 113 CA VAL A 19 1.936 -5.011 -24.423 1.00 44.12 C ATOM 114 C VAL A 19 2.710 -5.952 -25.340 1.00 42.51 C ATOM 115 O VAL A 19 3.797 -6.417 -24.996 1.00 72.44 O ATOM 116 CB VAL A 19 2.342 -3.558 -24.736 1.00 74.22 C ATOM 117 CG1 VAL A 19 1.941 -3.186 -26.155 1.00 53.15 C ATOM 118 CG2 VAL A 19 1.719 -2.603 -23.729 1.00 75.14 C ATOM 0 H VAL A 19 3.149 -5.448 -22.770 1.00 30.41 H new ATOM 0 HA VAL A 19 0.868 -5.129 -24.604 1.00 44.12 H new ATOM 0 HB VAL A 19 3.426 -3.476 -24.657 1.00 74.22 H new ATOM 0 HG11 VAL A 19 2.236 -2.156 -26.358 1.00 53.15 H new ATOM 0 HG12 VAL A 19 2.439 -3.852 -26.860 1.00 53.15 H new ATOM 0 HG13 VAL A 19 0.861 -3.283 -26.265 1.00 53.15 H new ATOM 0 HG21 VAL A 19 2.016 -1.581 -23.965 1.00 75.14 H new ATOM 0 HG22 VAL A 19 0.633 -2.685 -23.774 1.00 75.14 H new ATOM 0 HG23 VAL A 19 2.061 -2.858 -22.726 1.00 75.14 H new ATOM 128 N LYS A 20 2.144 -6.227 -26.510 1.00 33.20 N ATOM 129 CA LYS A 20 2.780 -7.111 -27.479 1.00 71.24 C ATOM 130 C LYS A 20 4.219 -6.680 -27.746 1.00 74.33 C ATOM 131 O LYS A 20 4.594 -5.525 -27.544 1.00 73.21 O ATOM 132 CB LYS A 20 1.988 -7.120 -28.789 1.00 32.42 C ATOM 133 CG LYS A 20 1.557 -5.738 -29.249 1.00 20.42 C ATOM 134 CD LYS A 20 1.225 -5.723 -30.731 1.00 41.55 C ATOM 135 CE LYS A 20 2.347 -5.099 -31.547 1.00 43.02 C ATOM 136 NZ LYS A 20 2.219 -5.412 -32.997 1.00 62.43 N ATOM 0 H LYS A 20 1.245 -5.850 -26.810 1.00 33.20 H new ATOM 0 HA LYS A 20 2.792 -8.118 -27.062 1.00 71.24 H new ATOM 0 HB2 LYS A 20 2.596 -7.580 -29.568 1.00 32.42 H new ATOM 0 HB3 LYS A 20 1.103 -7.745 -28.665 1.00 32.42 H new ATOM 0 HG2 LYS A 20 0.686 -5.418 -28.677 1.00 20.42 H new ATOM 0 HG3 LYS A 20 2.353 -5.021 -29.046 1.00 20.42 H new ATOM 0 HD2 LYS A 20 1.046 -6.742 -31.075 1.00 41.55 H new ATOM 0 HD3 LYS A 20 0.302 -5.165 -30.893 1.00 41.55 H new ATOM 0 HE2 LYS A 20 2.340 -4.018 -31.407 1.00 43.02 H new ATOM 0 HE3 LYS A 20 3.307 -5.462 -31.181 1.00 43.02 H new ATOM 0 HZ1 LYS A 20 3.134 -5.260 -33.467 1.00 62.43 H new ATOM 0 HZ2 LYS A 20 1.930 -6.404 -33.114 1.00 62.43 H new ATOM 0 HZ3 LYS A 20 1.503 -4.791 -33.424 1.00 62.43 H new ATOM 150 N PRO A 21 5.044 -7.629 -28.213 1.00 4.23 N ATOM 151 CA PRO A 21 6.454 -7.370 -28.519 1.00 44.13 C ATOM 152 C PRO A 21 6.627 -6.479 -29.745 1.00 0.13 C ATOM 153 O PRO A 21 5.687 -6.272 -30.512 1.00 34.12 O ATOM 154 CB PRO A 21 7.021 -8.766 -28.789 1.00 71.02 C ATOM 155 CG PRO A 21 5.848 -9.572 -29.229 1.00 32.31 C ATOM 156 CD PRO A 21 4.665 -9.027 -28.477 1.00 42.12 C ATOM 0 HA PRO A 21 6.956 -6.840 -27.709 1.00 44.13 H new ATOM 0 HB2 PRO A 21 7.793 -8.738 -29.558 1.00 71.02 H new ATOM 0 HB3 PRO A 21 7.478 -9.188 -27.894 1.00 71.02 H new ATOM 0 HG2 PRO A 21 5.699 -9.488 -30.305 1.00 32.31 H new ATOM 0 HG3 PRO A 21 5.997 -10.629 -29.009 1.00 32.31 H new ATOM 0 HD2 PRO A 21 3.750 -9.091 -29.066 1.00 42.12 H new ATOM 0 HD3 PRO A 21 4.488 -9.577 -27.553 1.00 42.12 H new ATOM 164 N VAL A 22 7.835 -5.954 -29.923 1.00 50.44 N ATOM 165 CA VAL A 22 8.131 -5.086 -31.057 1.00 2.11 C ATOM 166 C VAL A 22 9.033 -5.788 -32.066 1.00 32.31 C ATOM 167 O VAL A 22 9.775 -6.713 -31.734 1.00 70.04 O ATOM 168 CB VAL A 22 8.809 -3.780 -30.602 1.00 13.42 C ATOM 169 CG1 VAL A 22 7.792 -2.845 -29.965 1.00 2.44 C ATOM 170 CG2 VAL A 22 9.948 -4.078 -29.639 1.00 32.22 C ATOM 0 H VAL A 22 8.624 -6.114 -29.297 1.00 50.44 H new ATOM 0 HA VAL A 22 7.178 -4.847 -31.530 1.00 2.11 H new ATOM 0 HB VAL A 22 9.226 -3.283 -31.478 1.00 13.42 H new ATOM 0 HG11 VAL A 22 8.289 -1.928 -29.650 1.00 2.44 H new ATOM 0 HG12 VAL A 22 7.014 -2.606 -30.690 1.00 2.44 H new ATOM 0 HG13 VAL A 22 7.344 -3.331 -29.099 1.00 2.44 H new ATOM 0 HG21 VAL A 22 10.415 -3.144 -29.328 1.00 32.22 H new ATOM 0 HG22 VAL A 22 9.558 -4.598 -28.764 1.00 32.22 H new ATOM 0 HG23 VAL A 22 10.688 -4.707 -30.134 1.00 32.22 H new ATOM 180 N PRO A 23 8.969 -5.340 -33.329 1.00 22.34 N ATOM 181 CA PRO A 23 9.774 -5.911 -34.413 1.00 23.25 C ATOM 182 C PRO A 23 11.257 -5.585 -34.268 1.00 14.44 C ATOM 183 O PRO A 23 11.655 -4.739 -33.467 1.00 2.33 O ATOM 184 CB PRO A 23 9.201 -5.248 -35.667 1.00 72.23 C ATOM 185 CG PRO A 23 8.614 -3.967 -35.184 1.00 74.11 C ATOM 186 CD PRO A 23 8.107 -4.242 -33.795 1.00 50.42 C ATOM 0 HA PRO A 23 9.723 -7.000 -34.429 1.00 23.25 H new ATOM 0 HB2 PRO A 23 9.977 -5.072 -36.411 1.00 72.23 H new ATOM 0 HB3 PRO A 23 8.445 -5.877 -36.137 1.00 72.23 H new ATOM 0 HG2 PRO A 23 9.361 -3.173 -35.177 1.00 74.11 H new ATOM 0 HG3 PRO A 23 7.805 -3.638 -35.837 1.00 74.11 H new ATOM 0 HD2 PRO A 23 8.193 -3.364 -33.155 1.00 50.42 H new ATOM 0 HD3 PRO A 23 7.056 -4.531 -33.801 1.00 50.42 H new ATOM 194 N PRO A 24 12.095 -6.269 -35.060 1.00 74.31 N ATOM 195 CA PRO A 24 13.546 -6.068 -35.039 1.00 4.11 C ATOM 196 C PRO A 24 13.952 -4.715 -35.613 1.00 44.13 C ATOM 197 O PRO A 24 15.057 -4.230 -35.367 1.00 65.13 O ATOM 198 CB PRO A 24 14.075 -7.203 -35.919 1.00 71.03 C ATOM 199 CG PRO A 24 12.944 -7.533 -36.831 1.00 60.12 C ATOM 200 CD PRO A 24 11.689 -7.292 -36.038 1.00 61.54 C ATOM 0 HA PRO A 24 13.944 -6.077 -34.024 1.00 4.11 H new ATOM 0 HB2 PRO A 24 14.957 -6.892 -36.479 1.00 71.03 H new ATOM 0 HB3 PRO A 24 14.365 -8.066 -35.320 1.00 71.03 H new ATOM 0 HG2 PRO A 24 12.968 -6.908 -37.724 1.00 60.12 H new ATOM 0 HG3 PRO A 24 13.002 -8.569 -37.165 1.00 60.12 H new ATOM 0 HD2 PRO A 24 10.874 -6.941 -36.672 1.00 61.54 H new ATOM 0 HD3 PRO A 24 11.343 -8.202 -35.548 1.00 61.54 H new ATOM 208 N THR A 25 13.052 -4.108 -36.380 1.00 73.33 N ATOM 209 CA THR A 25 13.316 -2.811 -36.990 1.00 65.53 C ATOM 210 C THR A 25 13.032 -1.676 -36.014 1.00 31.13 C ATOM 211 O THR A 25 13.802 -0.721 -35.916 1.00 22.43 O ATOM 212 CB THR A 25 12.470 -2.605 -38.261 1.00 2.13 C ATOM 213 OG1 THR A 25 11.257 -3.359 -38.169 1.00 35.22 O ATOM 214 CG2 THR A 25 13.243 -3.028 -39.501 1.00 5.24 C ATOM 0 H THR A 25 12.133 -4.495 -36.594 1.00 73.33 H new ATOM 0 HA THR A 25 14.372 -2.798 -37.260 1.00 65.53 H new ATOM 0 HB THR A 25 12.233 -1.544 -38.345 1.00 2.13 H new ATOM 0 HG1 THR A 25 10.724 -3.221 -38.980 1.00 35.22 H new ATOM 0 HG21 THR A 25 12.625 -2.873 -40.385 1.00 5.24 H new ATOM 0 HG22 THR A 25 14.152 -2.432 -39.584 1.00 5.24 H new ATOM 0 HG23 THR A 25 13.507 -4.083 -39.423 1.00 5.24 H new ATOM 222 N ALA A 26 11.921 -1.787 -35.292 1.00 41.45 N ATOM 223 CA ALA A 26 11.537 -0.770 -34.321 1.00 73.12 C ATOM 224 C ALA A 26 12.621 -0.581 -33.266 1.00 31.44 C ATOM 225 O ALA A 26 12.846 -1.456 -32.428 1.00 42.20 O ATOM 226 CB ALA A 26 10.216 -1.141 -33.663 1.00 71.34 C ATOM 0 H ALA A 26 11.272 -2.571 -35.361 1.00 41.45 H new ATOM 0 HA ALA A 26 11.414 0.175 -34.851 1.00 73.12 H new ATOM 0 HB1 ALA A 26 9.941 -0.373 -32.940 1.00 71.34 H new ATOM 0 HB2 ALA A 26 9.439 -1.218 -34.424 1.00 71.34 H new ATOM 0 HB3 ALA A 26 10.320 -2.099 -33.153 1.00 71.34 H new ATOM 232 N THR A 27 13.292 0.566 -33.311 1.00 73.51 N ATOM 233 CA THR A 27 14.354 0.868 -32.360 1.00 52.11 C ATOM 234 C THR A 27 13.794 1.511 -31.096 1.00 73.15 C ATOM 235 O THR A 27 12.605 1.826 -31.022 1.00 62.22 O ATOM 236 CB THR A 27 15.409 1.807 -32.976 1.00 34.32 C ATOM 237 OG1 THR A 27 14.967 2.266 -34.258 1.00 72.01 O ATOM 238 CG2 THR A 27 16.747 1.097 -33.119 1.00 14.31 C ATOM 0 H THR A 27 13.118 1.301 -33.996 1.00 73.51 H new ATOM 0 HA THR A 27 14.827 -0.080 -32.103 1.00 52.11 H new ATOM 0 HB THR A 27 15.538 2.660 -32.310 1.00 34.32 H new ATOM 0 HG1 THR A 27 14.234 2.906 -34.141 1.00 72.01 H new ATOM 0 HG21 THR A 27 17.476 1.779 -33.556 1.00 14.31 H new ATOM 0 HG22 THR A 27 17.095 0.775 -32.137 1.00 14.31 H new ATOM 0 HG23 THR A 27 16.630 0.228 -33.766 1.00 14.31 H new ATOM 246 N LEU A 28 14.656 1.704 -30.105 1.00 10.14 N ATOM 247 CA LEU A 28 14.247 2.311 -28.843 1.00 1.13 C ATOM 248 C LEU A 28 13.868 3.775 -29.040 1.00 53.23 C ATOM 249 O LEU A 28 12.880 4.251 -28.481 1.00 62.22 O ATOM 250 CB LEU A 28 15.372 2.198 -27.812 1.00 14.41 C ATOM 251 CG LEU A 28 14.956 1.746 -26.412 1.00 12.55 C ATOM 252 CD1 LEU A 28 16.007 0.825 -25.814 1.00 23.50 C ATOM 253 CD2 LEU A 28 14.724 2.950 -25.509 1.00 63.05 C ATOM 0 H LEU A 28 15.643 1.449 -30.150 1.00 10.14 H new ATOM 0 HA LEU A 28 13.372 1.774 -28.477 1.00 1.13 H new ATOM 0 HB2 LEU A 28 16.117 1.498 -28.192 1.00 14.41 H new ATOM 0 HB3 LEU A 28 15.860 3.169 -27.729 1.00 14.41 H new ATOM 0 HG LEU A 28 14.021 1.192 -26.493 1.00 12.55 H new ATOM 0 HD11 LEU A 28 15.693 0.514 -24.818 1.00 23.50 H new ATOM 0 HD12 LEU A 28 16.124 -0.053 -26.448 1.00 23.50 H new ATOM 0 HD13 LEU A 28 16.958 1.353 -25.747 1.00 23.50 H new ATOM 0 HD21 LEU A 28 14.429 2.609 -24.517 1.00 63.05 H new ATOM 0 HD22 LEU A 28 15.643 3.531 -25.434 1.00 63.05 H new ATOM 0 HD23 LEU A 28 13.934 3.573 -25.929 1.00 63.05 H new ATOM 265 N GLU A 29 14.658 4.483 -29.841 1.00 43.20 N ATOM 266 CA GLU A 29 14.404 5.893 -30.113 1.00 75.11 C ATOM 267 C GLU A 29 13.072 6.076 -30.836 1.00 62.43 C ATOM 268 O GLU A 29 12.318 7.003 -30.544 1.00 3.21 O ATOM 269 CB GLU A 29 15.538 6.486 -30.952 1.00 15.44 C ATOM 270 CG GLU A 29 15.884 7.918 -30.580 1.00 40.42 C ATOM 271 CD GLU A 29 17.328 8.075 -30.146 1.00 3.32 C ATOM 272 OE1 GLU A 29 17.791 7.259 -29.322 1.00 24.30 O ATOM 273 OE2 GLU A 29 17.995 9.014 -30.629 1.00 22.02 O ATOM 0 H GLU A 29 15.479 4.104 -30.313 1.00 43.20 H new ATOM 0 HA GLU A 29 14.355 6.418 -29.159 1.00 75.11 H new ATOM 0 HB2 GLU A 29 16.426 5.865 -30.838 1.00 15.44 H new ATOM 0 HB3 GLU A 29 15.257 6.450 -32.005 1.00 15.44 H new ATOM 0 HG2 GLU A 29 15.692 8.568 -31.434 1.00 40.42 H new ATOM 0 HG3 GLU A 29 15.228 8.249 -29.774 1.00 40.42 H new ATOM 280 N GLN A 30 12.792 5.184 -31.781 1.00 51.25 N ATOM 281 CA GLN A 30 11.553 5.248 -32.547 1.00 73.23 C ATOM 282 C GLN A 30 10.347 4.965 -31.657 1.00 23.02 C ATOM 283 O GLN A 30 9.354 5.693 -31.689 1.00 71.52 O ATOM 284 CB GLN A 30 11.592 4.249 -33.705 1.00 21.30 C ATOM 285 CG GLN A 30 10.261 4.096 -34.423 1.00 13.52 C ATOM 286 CD GLN A 30 10.416 4.007 -35.928 1.00 63.41 C ATOM 287 OE1 GLN A 30 11.488 3.673 -36.434 1.00 71.42 O ATOM 288 NE2 GLN A 30 9.344 4.305 -36.653 1.00 65.11 N ATOM 0 H GLN A 30 13.406 4.410 -32.034 1.00 51.25 H new ATOM 0 HA GLN A 30 11.456 6.256 -32.949 1.00 73.23 H new ATOM 0 HB2 GLN A 30 12.348 4.567 -34.423 1.00 21.30 H new ATOM 0 HB3 GLN A 30 11.904 3.276 -33.324 1.00 21.30 H new ATOM 0 HG2 GLN A 30 9.758 3.200 -34.060 1.00 13.52 H new ATOM 0 HG3 GLN A 30 9.621 4.943 -34.177 1.00 13.52 H new ATOM 0 HE21 GLN A 30 8.476 4.577 -36.192 1.00 65.11 H new ATOM 0 HE22 GLN A 30 9.389 4.262 -37.671 1.00 65.11 H new ATOM 297 N LEU A 31 10.441 3.904 -30.863 1.00 13.12 N ATOM 298 CA LEU A 31 9.357 3.524 -29.963 1.00 2.43 C ATOM 299 C LEU A 31 9.019 4.664 -29.006 1.00 61.44 C ATOM 300 O LEU A 31 7.864 5.077 -28.899 1.00 42.42 O ATOM 301 CB LEU A 31 9.741 2.274 -29.169 1.00 44.33 C ATOM 302 CG LEU A 31 8.964 1.001 -29.505 1.00 11.12 C ATOM 303 CD1 LEU A 31 9.509 -0.180 -28.718 1.00 21.45 C ATOM 304 CD2 LEU A 31 7.481 1.192 -29.224 1.00 55.43 C ATOM 0 H LEU A 31 11.256 3.292 -30.824 1.00 13.12 H new ATOM 0 HA LEU A 31 8.476 3.307 -30.567 1.00 2.43 H new ATOM 0 HB2 LEU A 31 10.802 2.080 -29.326 1.00 44.33 H new ATOM 0 HB3 LEU A 31 9.609 2.487 -28.108 1.00 44.33 H new ATOM 0 HG LEU A 31 9.088 0.792 -30.568 1.00 11.12 H new ATOM 0 HD11 LEU A 31 8.944 -1.077 -28.970 1.00 21.45 H new ATOM 0 HD12 LEU A 31 10.559 -0.330 -28.968 1.00 21.45 H new ATOM 0 HD13 LEU A 31 9.415 0.020 -27.651 1.00 21.45 H new ATOM 0 HD21 LEU A 31 6.943 0.276 -29.469 1.00 55.43 H new ATOM 0 HD22 LEU A 31 7.338 1.426 -28.169 1.00 55.43 H new ATOM 0 HD23 LEU A 31 7.098 2.011 -29.832 1.00 55.43 H new ATOM 316 N THR A 32 10.035 5.169 -28.314 1.00 0.33 N ATOM 317 CA THR A 32 9.846 6.261 -27.367 1.00 44.43 C ATOM 318 C THR A 32 9.270 7.493 -28.057 1.00 23.14 C ATOM 319 O THR A 32 8.369 8.144 -27.531 1.00 15.33 O ATOM 320 CB THR A 32 11.171 6.644 -26.680 1.00 14.11 C ATOM 321 OG1 THR A 32 11.827 5.469 -26.193 1.00 25.40 O ATOM 322 CG2 THR A 32 10.924 7.607 -25.528 1.00 50.24 C ATOM 0 H THR A 32 10.997 4.839 -28.391 1.00 0.33 H new ATOM 0 HA THR A 32 9.143 5.908 -26.613 1.00 44.43 H new ATOM 0 HB THR A 32 11.807 7.137 -27.415 1.00 14.11 H new ATOM 0 HG1 THR A 32 12.279 5.015 -26.935 1.00 25.40 H new ATOM 0 HG21 THR A 32 11.874 7.863 -25.058 1.00 50.24 H new ATOM 0 HG22 THR A 32 10.450 8.513 -25.906 1.00 50.24 H new ATOM 0 HG23 THR A 32 10.271 7.136 -24.793 1.00 50.24 H new ATOM 330 N GLU A 33 9.797 7.806 -29.237 1.00 32.34 N ATOM 331 CA GLU A 33 9.333 8.960 -29.997 1.00 44.32 C ATOM 332 C GLU A 33 7.826 8.892 -30.225 1.00 41.23 C ATOM 333 O GLU A 33 7.089 9.807 -29.857 1.00 2.13 O ATOM 334 CB GLU A 33 10.061 9.039 -31.341 1.00 74.21 C ATOM 335 CG GLU A 33 9.653 10.235 -32.185 1.00 32.11 C ATOM 336 CD GLU A 33 10.626 10.511 -33.314 1.00 42.23 C ATOM 337 OE1 GLU A 33 10.217 11.150 -34.307 1.00 33.54 O ATOM 338 OE2 GLU A 33 11.796 10.089 -33.206 1.00 44.33 O ATOM 0 H GLU A 33 10.544 7.277 -29.686 1.00 32.34 H new ATOM 0 HA GLU A 33 9.554 9.857 -29.418 1.00 44.32 H new ATOM 0 HB2 GLU A 33 11.135 9.082 -31.161 1.00 74.21 H new ATOM 0 HB3 GLU A 33 9.868 8.125 -31.903 1.00 74.21 H new ATOM 0 HG2 GLU A 33 8.660 10.060 -32.600 1.00 32.11 H new ATOM 0 HG3 GLU A 33 9.581 11.117 -31.548 1.00 32.11 H new ATOM 345 N PHE A 34 7.375 7.802 -30.836 1.00 72.31 N ATOM 346 CA PHE A 34 5.956 7.614 -31.115 1.00 71.25 C ATOM 347 C PHE A 34 5.136 7.676 -29.830 1.00 73.13 C ATOM 348 O PHE A 34 4.072 8.294 -29.789 1.00 12.23 O ATOM 349 CB PHE A 34 5.726 6.273 -31.817 1.00 14.44 C ATOM 350 CG PHE A 34 5.487 6.403 -33.294 1.00 33.12 C ATOM 351 CD1 PHE A 34 6.375 7.103 -34.094 1.00 64.50 C ATOM 352 CD2 PHE A 34 4.373 5.825 -33.882 1.00 40.31 C ATOM 353 CE1 PHE A 34 6.159 7.223 -35.454 1.00 12.22 C ATOM 354 CE2 PHE A 34 4.151 5.942 -35.241 1.00 45.32 C ATOM 355 CZ PHE A 34 5.045 6.643 -36.028 1.00 13.11 C ATOM 0 H PHE A 34 7.971 7.035 -31.148 1.00 72.31 H new ATOM 0 HA PHE A 34 5.630 8.421 -31.772 1.00 71.25 H new ATOM 0 HB2 PHE A 34 6.592 5.632 -31.652 1.00 14.44 H new ATOM 0 HB3 PHE A 34 4.870 5.775 -31.361 1.00 14.44 H new ATOM 0 HD1 PHE A 34 7.247 7.561 -33.650 1.00 64.50 H new ATOM 0 HD2 PHE A 34 3.671 5.277 -33.271 1.00 40.31 H new ATOM 0 HE1 PHE A 34 6.860 7.770 -36.067 1.00 12.22 H new ATOM 0 HE2 PHE A 34 3.280 5.486 -35.688 1.00 45.32 H new ATOM 0 HZ PHE A 34 4.873 6.737 -37.090 1.00 13.11 H new ATOM 365 N PHE A 35 5.638 7.030 -28.783 1.00 41.21 N ATOM 366 CA PHE A 35 4.952 7.010 -27.496 1.00 62.14 C ATOM 367 C PHE A 35 4.654 8.427 -27.016 1.00 42.45 C ATOM 368 O PHE A 35 3.509 8.764 -26.715 1.00 43.40 O ATOM 369 CB PHE A 35 5.798 6.274 -26.455 1.00 41.11 C ATOM 370 CG PHE A 35 5.241 4.934 -26.069 1.00 20.22 C ATOM 371 CD1 PHE A 35 4.031 4.838 -25.400 1.00 42.14 C ATOM 372 CD2 PHE A 35 5.928 3.770 -26.374 1.00 34.52 C ATOM 373 CE1 PHE A 35 3.516 3.606 -25.044 1.00 15.22 C ATOM 374 CE2 PHE A 35 5.417 2.535 -26.020 1.00 72.01 C ATOM 375 CZ PHE A 35 4.210 2.453 -25.353 1.00 50.23 C ATOM 0 H PHE A 35 6.517 6.513 -28.800 1.00 41.21 H new ATOM 0 HA PHE A 35 4.007 6.483 -27.625 1.00 62.14 H new ATOM 0 HB2 PHE A 35 6.806 6.140 -26.847 1.00 41.11 H new ATOM 0 HB3 PHE A 35 5.882 6.894 -25.563 1.00 41.11 H new ATOM 0 HD1 PHE A 35 3.484 5.736 -25.154 1.00 42.14 H new ATOM 0 HD2 PHE A 35 6.873 3.828 -26.894 1.00 34.52 H new ATOM 0 HE1 PHE A 35 2.571 3.545 -24.524 1.00 15.22 H new ATOM 0 HE2 PHE A 35 5.961 1.635 -26.265 1.00 72.01 H new ATOM 0 HZ PHE A 35 3.810 1.489 -25.074 1.00 50.23 H new ATOM 385 N SER A 36 5.694 9.253 -26.948 1.00 15.22 N ATOM 386 CA SER A 36 5.545 10.633 -26.500 1.00 41.15 C ATOM 387 C SER A 36 4.517 11.372 -27.351 1.00 41.55 C ATOM 388 O SER A 36 3.739 12.180 -26.844 1.00 54.11 O ATOM 389 CB SER A 36 6.891 11.359 -26.561 1.00 33.30 C ATOM 390 OG SER A 36 6.906 12.478 -25.692 1.00 22.22 O ATOM 0 H SER A 36 6.648 8.991 -27.197 1.00 15.22 H new ATOM 0 HA SER A 36 5.194 10.619 -25.468 1.00 41.15 H new ATOM 0 HB2 SER A 36 7.691 10.671 -26.288 1.00 33.30 H new ATOM 0 HB3 SER A 36 7.086 11.685 -27.583 1.00 33.30 H new ATOM 0 HG SER A 36 7.777 12.924 -25.748 1.00 22.22 H new ATOM 396 N LYS A 37 4.520 11.090 -28.650 1.00 5.31 N ATOM 397 CA LYS A 37 3.589 11.726 -29.574 1.00 33.01 C ATOM 398 C LYS A 37 2.145 11.413 -29.192 1.00 64.03 C ATOM 399 O LYS A 37 1.254 12.247 -29.358 1.00 23.35 O ATOM 400 CB LYS A 37 3.861 11.260 -31.006 1.00 42.40 C ATOM 401 CG LYS A 37 3.133 12.077 -32.060 1.00 22.21 C ATOM 402 CD LYS A 37 2.586 11.194 -33.169 1.00 44.44 C ATOM 403 CE LYS A 37 3.542 11.129 -34.351 1.00 74.33 C ATOM 404 NZ LYS A 37 2.906 11.619 -35.606 1.00 23.32 N ATOM 0 H LYS A 37 5.158 10.424 -29.086 1.00 5.31 H new ATOM 0 HA LYS A 37 3.737 12.804 -29.515 1.00 33.01 H new ATOM 0 HB2 LYS A 37 4.933 11.308 -31.197 1.00 42.40 H new ATOM 0 HB3 LYS A 37 3.567 10.215 -31.101 1.00 42.40 H new ATOM 0 HG2 LYS A 37 2.315 12.627 -31.595 1.00 22.21 H new ATOM 0 HG3 LYS A 37 3.814 12.816 -32.484 1.00 22.21 H new ATOM 0 HD2 LYS A 37 2.413 10.189 -32.784 1.00 44.44 H new ATOM 0 HD3 LYS A 37 1.622 11.579 -33.500 1.00 44.44 H new ATOM 0 HE2 LYS A 37 4.428 11.727 -34.135 1.00 74.33 H new ATOM 0 HE3 LYS A 37 3.877 10.101 -34.491 1.00 74.33 H new ATOM 0 HZ1 LYS A 37 3.589 11.559 -36.388 1.00 23.32 H new ATOM 0 HZ2 LYS A 37 2.075 11.033 -35.826 1.00 23.32 H new ATOM 0 HZ3 LYS A 37 2.609 12.608 -35.481 1.00 23.32 H new ATOM 418 N HIS A 38 1.922 10.207 -28.680 1.00 34.10 N ATOM 419 CA HIS A 38 0.586 9.785 -28.273 1.00 1.12 C ATOM 420 C HIS A 38 0.651 8.893 -27.037 1.00 24.21 C ATOM 421 O HIS A 38 1.135 7.764 -27.099 1.00 65.42 O ATOM 422 CB HIS A 38 -0.108 9.043 -29.415 1.00 40.35 C ATOM 423 CG HIS A 38 -1.603 9.089 -29.339 1.00 10.33 C ATOM 424 ND1 HIS A 38 -2.405 9.360 -30.428 1.00 4.15 N ATOM 425 CD2 HIS A 38 -2.442 8.895 -28.295 1.00 13.34 C ATOM 426 CE1 HIS A 38 -3.672 9.332 -30.056 1.00 51.41 C ATOM 427 NE2 HIS A 38 -3.722 9.052 -28.766 1.00 73.04 N ATOM 0 H HIS A 38 2.648 9.505 -28.537 1.00 34.10 H new ATOM 0 HA HIS A 38 0.010 10.677 -28.026 1.00 1.12 H new ATOM 0 HB2 HIS A 38 0.213 9.473 -30.364 1.00 40.35 H new ATOM 0 HB3 HIS A 38 0.216 8.002 -29.411 1.00 40.35 H new ATOM 0 HD2 HIS A 38 -2.157 8.660 -27.280 1.00 13.34 H new ATOM 0 HE1 HIS A 38 -4.523 9.508 -30.698 1.00 51.41 H new ATOM 0 HE2 HIS A 38 -4.573 8.966 -28.210 1.00 73.04 H new ATOM 435 N GLY A 39 0.161 9.409 -25.914 1.00 21.44 N ATOM 436 CA GLY A 39 0.174 8.646 -24.679 1.00 63.43 C ATOM 437 C GLY A 39 1.345 9.007 -23.787 1.00 22.21 C ATOM 438 O GLY A 39 2.457 9.232 -24.268 1.00 35.24 O ATOM 0 H GLY A 39 -0.245 10.342 -25.837 1.00 21.44 H new ATOM 0 HA2 GLY A 39 -0.757 8.819 -24.139 1.00 63.43 H new ATOM 0 HA3 GLY A 39 0.214 7.582 -24.913 1.00 63.43 H new ATOM 442 N THR A 40 1.097 9.065 -22.482 1.00 62.41 N ATOM 443 CA THR A 40 2.138 9.404 -21.520 1.00 65.15 C ATOM 444 C THR A 40 2.530 8.192 -20.684 1.00 24.53 C ATOM 445 O THR A 40 1.719 7.659 -19.926 1.00 62.23 O ATOM 446 CB THR A 40 1.687 10.538 -20.581 1.00 23.13 C ATOM 447 OG1 THR A 40 0.621 11.279 -21.184 1.00 42.42 O ATOM 448 CG2 THR A 40 2.846 11.472 -20.264 1.00 72.25 C ATOM 0 H THR A 40 0.183 8.881 -22.067 1.00 62.41 H new ATOM 0 HA THR A 40 3.002 9.740 -22.094 1.00 65.15 H new ATOM 0 HB THR A 40 1.337 10.091 -19.650 1.00 23.13 H new ATOM 0 HG1 THR A 40 0.339 11.997 -20.580 1.00 42.42 H new ATOM 0 HG21 THR A 40 2.503 12.265 -19.599 1.00 72.25 H new ATOM 0 HG22 THR A 40 3.643 10.910 -19.778 1.00 72.25 H new ATOM 0 HG23 THR A 40 3.223 11.911 -21.188 1.00 72.25 H new ATOM 456 N VAL A 41 3.780 7.760 -20.825 1.00 32.24 N ATOM 457 CA VAL A 41 4.280 6.611 -20.080 1.00 21.42 C ATOM 458 C VAL A 41 5.427 7.010 -19.159 1.00 24.23 C ATOM 459 O VAL A 41 6.225 7.887 -19.490 1.00 33.14 O ATOM 460 CB VAL A 41 4.761 5.494 -21.026 1.00 53.42 C ATOM 461 CG1 VAL A 41 3.590 4.913 -21.804 1.00 60.20 C ATOM 462 CG2 VAL A 41 5.830 6.021 -21.971 1.00 41.41 C ATOM 0 H VAL A 41 4.464 8.189 -21.448 1.00 32.24 H new ATOM 0 HA VAL A 41 3.450 6.237 -19.481 1.00 21.42 H new ATOM 0 HB VAL A 41 5.199 4.697 -20.426 1.00 53.42 H new ATOM 0 HG11 VAL A 41 3.949 4.126 -22.467 1.00 60.20 H new ATOM 0 HG12 VAL A 41 2.861 4.498 -21.108 1.00 60.20 H new ATOM 0 HG13 VAL A 41 3.120 5.699 -22.395 1.00 60.20 H new ATOM 0 HG21 VAL A 41 6.159 5.219 -22.632 1.00 41.41 H new ATOM 0 HG22 VAL A 41 5.419 6.837 -22.566 1.00 41.41 H new ATOM 0 HG23 VAL A 41 6.679 6.385 -21.393 1.00 41.41 H new ATOM 472 N GLN A 42 5.504 6.360 -18.002 1.00 61.41 N ATOM 473 CA GLN A 42 6.555 6.647 -17.033 1.00 15.53 C ATOM 474 C GLN A 42 7.861 5.968 -17.428 1.00 44.13 C ATOM 475 O GLN A 42 8.892 6.624 -17.581 1.00 74.21 O ATOM 476 CB GLN A 42 6.129 6.188 -15.637 1.00 4.21 C ATOM 477 CG GLN A 42 6.840 6.923 -14.512 1.00 24.11 C ATOM 478 CD GLN A 42 8.347 6.766 -14.573 1.00 40.22 C ATOM 479 OE1 GLN A 42 8.875 5.665 -14.418 1.00 21.34 O ATOM 480 NE2 GLN A 42 9.049 7.870 -14.801 1.00 55.41 N ATOM 0 H GLN A 42 4.851 5.631 -17.713 1.00 61.41 H new ATOM 0 HA GLN A 42 6.718 7.725 -17.020 1.00 15.53 H new ATOM 0 HB2 GLN A 42 5.054 6.329 -15.530 1.00 4.21 H new ATOM 0 HB3 GLN A 42 6.321 5.119 -15.540 1.00 4.21 H new ATOM 0 HG2 GLN A 42 6.587 7.982 -14.558 1.00 24.11 H new ATOM 0 HG3 GLN A 42 6.478 6.550 -13.554 1.00 24.11 H new ATOM 0 HE21 GLN A 42 8.570 8.762 -14.924 1.00 55.41 H new ATOM 0 HE22 GLN A 42 10.067 7.826 -14.853 1.00 55.41 H new ATOM 489 N ALA A 43 7.812 4.650 -17.592 1.00 55.22 N ATOM 490 CA ALA A 43 8.991 3.882 -17.972 1.00 0.45 C ATOM 491 C ALA A 43 8.599 2.565 -18.633 1.00 4.33 C ATOM 492 O ALA A 43 7.463 2.110 -18.507 1.00 34.20 O ATOM 493 CB ALA A 43 9.867 3.624 -16.754 1.00 53.34 C ATOM 0 H ALA A 43 6.968 4.092 -17.467 1.00 55.22 H new ATOM 0 HA ALA A 43 9.558 4.467 -18.697 1.00 0.45 H new ATOM 0 HB1 ALA A 43 10.744 3.049 -17.052 1.00 53.34 H new ATOM 0 HB2 ALA A 43 10.184 4.575 -16.326 1.00 53.34 H new ATOM 0 HB3 ALA A 43 9.301 3.063 -16.011 1.00 53.34 H new ATOM 499 N VAL A 44 9.548 1.958 -19.338 1.00 71.45 N ATOM 500 CA VAL A 44 9.302 0.692 -20.020 1.00 11.25 C ATOM 501 C VAL A 44 10.526 -0.214 -19.954 1.00 32.45 C ATOM 502 O VAL A 44 11.662 0.255 -20.011 1.00 3.14 O ATOM 503 CB VAL A 44 8.920 0.914 -21.495 1.00 71.11 C ATOM 504 CG1 VAL A 44 10.005 1.699 -22.216 1.00 10.45 C ATOM 505 CG2 VAL A 44 8.667 -0.418 -22.185 1.00 52.13 C ATOM 0 H VAL A 44 10.494 2.322 -19.452 1.00 71.45 H new ATOM 0 HA VAL A 44 8.470 0.212 -19.506 1.00 11.25 H new ATOM 0 HB VAL A 44 8.000 1.497 -21.530 1.00 71.11 H new ATOM 0 HG11 VAL A 44 9.717 1.846 -23.257 1.00 10.45 H new ATOM 0 HG12 VAL A 44 10.133 2.669 -21.735 1.00 10.45 H new ATOM 0 HG13 VAL A 44 10.943 1.146 -22.174 1.00 10.45 H new ATOM 0 HG21 VAL A 44 8.398 -0.243 -23.227 1.00 52.13 H new ATOM 0 HG22 VAL A 44 9.569 -1.028 -22.141 1.00 52.13 H new ATOM 0 HG23 VAL A 44 7.852 -0.939 -21.683 1.00 52.13 H new ATOM 515 N TRP A 45 10.286 -1.515 -19.833 1.00 74.05 N ATOM 516 CA TRP A 45 11.369 -2.489 -19.760 1.00 42.42 C ATOM 517 C TRP A 45 10.864 -3.890 -20.084 1.00 64.34 C ATOM 518 O TRP A 45 9.659 -4.115 -20.196 1.00 63.42 O ATOM 519 CB TRP A 45 12.005 -2.471 -18.369 1.00 72.11 C ATOM 520 CG TRP A 45 13.152 -1.514 -18.252 1.00 64.04 C ATOM 521 CD1 TRP A 45 14.200 -1.381 -19.119 1.00 11.15 C ATOM 522 CD2 TRP A 45 13.369 -0.558 -17.208 1.00 75.53 C ATOM 523 NE1 TRP A 45 15.054 -0.400 -18.676 1.00 23.13 N ATOM 524 CE2 TRP A 45 14.566 0.120 -17.506 1.00 43.44 C ATOM 525 CE3 TRP A 45 12.666 -0.209 -16.052 1.00 41.21 C ATOM 526 CZ2 TRP A 45 15.075 1.126 -16.689 1.00 12.12 C ATOM 527 CZ3 TRP A 45 13.172 0.789 -15.241 1.00 42.35 C ATOM 528 CH2 TRP A 45 14.367 1.448 -15.563 1.00 35.00 C ATOM 0 H TRP A 45 9.351 -1.920 -19.783 1.00 74.05 H new ATOM 0 HA TRP A 45 12.122 -2.215 -20.499 1.00 42.42 H new ATOM 0 HB2 TRP A 45 11.245 -2.207 -17.633 1.00 72.11 H new ATOM 0 HB3 TRP A 45 12.352 -3.475 -18.123 1.00 72.11 H new ATOM 0 HD1 TRP A 45 14.337 -1.961 -20.019 1.00 11.15 H new ATOM 0 HE1 TRP A 45 15.912 -0.106 -19.143 1.00 23.13 H new ATOM 0 HE3 TRP A 45 11.744 -0.710 -15.797 1.00 41.21 H new ATOM 0 HZ2 TRP A 45 15.996 1.634 -16.935 1.00 12.12 H new ATOM 0 HZ3 TRP A 45 12.638 1.066 -14.344 1.00 42.35 H new ATOM 0 HH2 TRP A 45 14.736 2.225 -14.910 1.00 35.00 H new ATOM 539 N ARG A 46 11.793 -4.829 -20.234 1.00 61.10 N ATOM 540 CA ARG A 46 11.441 -6.209 -20.546 1.00 41.04 C ATOM 541 C ARG A 46 12.585 -7.155 -20.194 1.00 22.12 C ATOM 542 O ARG A 46 13.755 -6.835 -20.404 1.00 63.51 O ATOM 543 CB ARG A 46 11.091 -6.345 -22.029 1.00 61.24 C ATOM 544 CG ARG A 46 12.163 -5.802 -22.960 1.00 55.45 C ATOM 545 CD ARG A 46 11.939 -4.329 -23.267 1.00 61.02 C ATOM 546 NE ARG A 46 11.431 -4.123 -24.621 1.00 12.13 N ATOM 547 CZ ARG A 46 11.380 -2.935 -25.214 1.00 32.34 C ATOM 548 NH1 ARG A 46 11.804 -1.853 -24.576 1.00 24.34 N ATOM 549 NH2 ARG A 46 10.904 -2.828 -26.448 1.00 33.44 N ATOM 0 H ARG A 46 12.795 -4.659 -20.144 1.00 61.10 H new ATOM 0 HA ARG A 46 10.571 -6.480 -19.948 1.00 41.04 H new ATOM 0 HB2 ARG A 46 10.921 -7.397 -22.259 1.00 61.24 H new ATOM 0 HB3 ARG A 46 10.155 -5.821 -22.222 1.00 61.24 H new ATOM 0 HG2 ARG A 46 13.144 -5.935 -22.504 1.00 55.45 H new ATOM 0 HG3 ARG A 46 12.163 -6.373 -23.889 1.00 55.45 H new ATOM 0 HD2 ARG A 46 11.234 -3.912 -22.548 1.00 61.02 H new ATOM 0 HD3 ARG A 46 12.877 -3.787 -23.145 1.00 61.02 H new ATOM 0 HE ARG A 46 11.097 -4.935 -25.140 1.00 12.13 H new ATOM 0 HH11 ARG A 46 12.171 -1.931 -23.627 1.00 24.34 H new ATOM 0 HH12 ARG A 46 11.764 -0.942 -25.034 1.00 24.34 H new ATOM 0 HH21 ARG A 46 10.577 -3.658 -26.942 1.00 33.44 H new ATOM 0 HH22 ARG A 46 10.865 -1.916 -26.902 1.00 33.44 H new ATOM 563 N ARG A 47 12.238 -8.320 -19.656 1.00 64.02 N ATOM 564 CA ARG A 47 13.236 -9.312 -19.273 1.00 1.42 C ATOM 565 C ARG A 47 12.716 -10.726 -19.511 1.00 20.30 C ATOM 566 O ARG A 47 11.515 -10.936 -19.684 1.00 22.34 O ATOM 567 CB ARG A 47 13.619 -9.138 -17.802 1.00 21.51 C ATOM 568 CG ARG A 47 12.462 -9.357 -16.841 1.00 72.33 C ATOM 569 CD ARG A 47 12.074 -8.069 -16.133 1.00 44.40 C ATOM 570 NE ARG A 47 12.654 -7.984 -14.795 1.00 44.44 N ATOM 571 CZ ARG A 47 12.243 -8.718 -13.768 1.00 31.11 C ATOM 572 NH1 ARG A 47 11.255 -9.588 -13.924 1.00 54.12 N ATOM 573 NH2 ARG A 47 12.821 -8.584 -12.581 1.00 51.41 N ATOM 0 H ARG A 47 11.274 -8.600 -19.476 1.00 64.02 H new ATOM 0 HA ARG A 47 14.120 -9.160 -19.892 1.00 1.42 H new ATOM 0 HB2 ARG A 47 14.419 -9.837 -17.559 1.00 21.51 H new ATOM 0 HB3 ARG A 47 14.017 -8.134 -17.655 1.00 21.51 H new ATOM 0 HG2 ARG A 47 11.603 -9.746 -17.387 1.00 72.33 H new ATOM 0 HG3 ARG A 47 12.738 -10.110 -16.103 1.00 72.33 H new ATOM 0 HD2 ARG A 47 12.404 -7.216 -16.726 1.00 44.40 H new ATOM 0 HD3 ARG A 47 10.988 -8.007 -16.062 1.00 44.40 H new ATOM 0 HE ARG A 47 13.417 -7.324 -14.641 1.00 44.44 H new ATOM 0 HH11 ARG A 47 10.809 -9.695 -14.835 1.00 54.12 H new ATOM 0 HH12 ARG A 47 10.941 -10.151 -13.133 1.00 54.12 H new ATOM 0 HH21 ARG A 47 13.582 -7.916 -12.457 1.00 51.41 H new ATOM 0 HH22 ARG A 47 12.504 -9.149 -11.793 1.00 51.41 H new ATOM 587 N TYR A 48 13.628 -11.692 -19.519 1.00 74.34 N ATOM 588 CA TYR A 48 13.262 -13.087 -19.739 1.00 52.54 C ATOM 589 C TYR A 48 14.140 -14.018 -18.910 1.00 5.33 C ATOM 590 O TYR A 48 15.366 -13.999 -19.024 1.00 23.12 O ATOM 591 CB TYR A 48 13.383 -13.440 -21.223 1.00 3.43 C ATOM 592 CG TYR A 48 14.731 -13.100 -21.817 1.00 64.34 C ATOM 593 CD1 TYR A 48 15.726 -14.064 -21.928 1.00 23.14 C ATOM 594 CD2 TYR A 48 15.011 -11.816 -22.268 1.00 73.12 C ATOM 595 CE1 TYR A 48 16.960 -13.759 -22.470 1.00 12.43 C ATOM 596 CE2 TYR A 48 16.241 -11.502 -22.813 1.00 33.11 C ATOM 597 CZ TYR A 48 17.212 -12.476 -22.911 1.00 71.53 C ATOM 598 OH TYR A 48 18.439 -12.167 -23.452 1.00 71.30 O ATOM 0 H TYR A 48 14.626 -11.535 -19.376 1.00 74.34 H new ATOM 0 HA TYR A 48 12.227 -13.218 -19.424 1.00 52.54 H new ATOM 0 HB2 TYR A 48 13.197 -14.506 -21.351 1.00 3.43 H new ATOM 0 HB3 TYR A 48 12.607 -12.913 -21.778 1.00 3.43 H new ATOM 0 HD1 TYR A 48 15.531 -15.069 -21.585 1.00 23.14 H new ATOM 0 HD2 TYR A 48 14.254 -11.050 -22.191 1.00 73.12 H new ATOM 0 HE1 TYR A 48 17.722 -14.520 -22.548 1.00 12.43 H new ATOM 0 HE2 TYR A 48 16.441 -10.499 -23.160 1.00 33.11 H new ATOM 0 HH TYR A 48 18.453 -11.223 -23.714 1.00 71.30 H new ATOM 608 N PHE A 49 13.504 -14.832 -18.075 1.00 24.55 N ATOM 609 CA PHE A 49 14.226 -15.772 -17.224 1.00 45.24 C ATOM 610 C PHE A 49 14.582 -17.040 -17.995 1.00 2.10 C ATOM 611 O PHE A 49 13.702 -17.766 -18.457 1.00 4.22 O ATOM 612 CB PHE A 49 13.389 -16.127 -15.994 1.00 72.13 C ATOM 613 CG PHE A 49 13.634 -15.222 -14.821 1.00 33.43 C ATOM 614 CD1 PHE A 49 12.827 -14.118 -14.600 1.00 40.45 C ATOM 615 CD2 PHE A 49 14.671 -15.476 -13.938 1.00 30.41 C ATOM 616 CE1 PHE A 49 13.049 -13.283 -13.521 1.00 64.22 C ATOM 617 CE2 PHE A 49 14.898 -14.646 -12.857 1.00 11.13 C ATOM 618 CZ PHE A 49 14.087 -13.547 -12.649 1.00 31.32 C ATOM 0 H PHE A 49 12.490 -14.860 -17.969 1.00 24.55 H new ATOM 0 HA PHE A 49 15.150 -15.294 -16.899 1.00 45.24 H new ATOM 0 HB2 PHE A 49 12.333 -16.087 -16.259 1.00 72.13 H new ATOM 0 HB3 PHE A 49 13.605 -17.154 -15.701 1.00 72.13 H new ATOM 0 HD1 PHE A 49 12.014 -13.907 -15.279 1.00 40.45 H new ATOM 0 HD2 PHE A 49 15.309 -16.333 -14.097 1.00 30.41 H new ATOM 0 HE1 PHE A 49 12.412 -12.426 -13.360 1.00 64.22 H new ATOM 0 HE2 PHE A 49 15.709 -14.856 -12.175 1.00 11.13 H new ATOM 0 HZ PHE A 49 14.264 -12.896 -11.806 1.00 31.32 H new ATOM 628 N ALA A 50 15.879 -17.299 -18.130 1.00 32.13 N ATOM 629 CA ALA A 50 16.352 -18.479 -18.842 1.00 72.35 C ATOM 630 C ALA A 50 16.213 -19.732 -17.984 1.00 13.33 C ATOM 631 O ALA A 50 16.003 -20.829 -18.499 1.00 34.14 O ATOM 632 CB ALA A 50 17.799 -18.291 -19.274 1.00 13.33 C ATOM 0 H ALA A 50 16.620 -16.707 -17.755 1.00 32.13 H new ATOM 0 HA ALA A 50 15.733 -18.608 -19.730 1.00 72.35 H new ATOM 0 HB1 ALA A 50 18.139 -19.180 -19.805 1.00 13.33 H new ATOM 0 HB2 ALA A 50 17.873 -17.425 -19.932 1.00 13.33 H new ATOM 0 HB3 ALA A 50 18.424 -18.132 -18.395 1.00 13.33 H new ATOM 638 N GLY A 51 16.332 -19.560 -16.671 1.00 1.24 N ATOM 639 CA GLY A 51 16.218 -20.685 -15.762 1.00 33.33 C ATOM 640 C GLY A 51 17.524 -21.437 -15.602 1.00 62.24 C ATOM 641 O GLY A 51 18.001 -22.074 -16.542 1.00 24.44 O ATOM 0 H GLY A 51 16.505 -18.661 -16.221 1.00 1.24 H new ATOM 0 HA2 GLY A 51 15.886 -20.328 -14.787 1.00 33.33 H new ATOM 0 HA3 GLY A 51 15.452 -21.368 -16.129 1.00 33.33 H new ATOM 645 N LYS A 52 18.106 -21.362 -14.410 1.00 65.54 N ATOM 646 CA LYS A 52 19.366 -22.041 -14.130 1.00 4.40 C ATOM 647 C LYS A 52 19.332 -22.706 -12.758 1.00 25.01 C ATOM 648 O LYS A 52 20.232 -22.512 -11.940 1.00 31.22 O ATOM 649 CB LYS A 52 20.530 -21.048 -14.199 1.00 34.52 C ATOM 650 CG LYS A 52 20.899 -20.641 -15.615 1.00 34.13 C ATOM 651 CD LYS A 52 20.517 -19.197 -15.897 1.00 24.51 C ATOM 652 CE LYS A 52 21.343 -18.615 -17.034 1.00 73.10 C ATOM 653 NZ LYS A 52 21.303 -19.478 -18.247 1.00 21.42 N ATOM 0 H LYS A 52 17.725 -20.838 -13.622 1.00 65.54 H new ATOM 0 HA LYS A 52 19.510 -22.814 -14.885 1.00 4.40 H new ATOM 0 HB2 LYS A 52 20.270 -20.156 -13.630 1.00 34.52 H new ATOM 0 HB3 LYS A 52 21.403 -21.490 -13.718 1.00 34.52 H new ATOM 0 HG2 LYS A 52 21.971 -20.771 -15.764 1.00 34.13 H new ATOM 0 HG3 LYS A 52 20.396 -21.297 -16.326 1.00 34.13 H new ATOM 0 HD2 LYS A 52 19.458 -19.142 -16.150 1.00 24.51 H new ATOM 0 HD3 LYS A 52 20.661 -18.599 -14.997 1.00 24.51 H new ATOM 0 HE2 LYS A 52 20.970 -17.622 -17.283 1.00 73.10 H new ATOM 0 HE3 LYS A 52 22.376 -18.495 -16.708 1.00 73.10 H new ATOM 0 HZ1 LYS A 52 21.702 -18.959 -19.055 1.00 21.42 H new ATOM 0 HZ2 LYS A 52 21.861 -20.339 -18.079 1.00 21.42 H new ATOM 0 HZ3 LYS A 52 20.318 -19.739 -18.455 1.00 21.42 H new ATOM 667 N LYS A 53 18.290 -23.493 -12.512 1.00 41.54 N ATOM 668 CA LYS A 53 18.140 -24.190 -11.241 1.00 14.43 C ATOM 669 C LYS A 53 17.424 -25.523 -11.432 1.00 51.14 C ATOM 670 O LYS A 53 16.994 -25.854 -12.537 1.00 55.14 O ATOM 671 CB LYS A 53 17.364 -23.321 -10.248 1.00 2.31 C ATOM 672 CG LYS A 53 15.943 -23.015 -10.688 1.00 32.33 C ATOM 673 CD LYS A 53 15.780 -21.555 -11.073 1.00 40.42 C ATOM 674 CE LYS A 53 14.712 -21.376 -12.141 1.00 15.31 C ATOM 675 NZ LYS A 53 13.369 -21.129 -11.546 1.00 11.40 N ATOM 0 H LYS A 53 17.536 -23.664 -13.178 1.00 41.54 H new ATOM 0 HA LYS A 53 19.136 -24.386 -10.843 1.00 14.43 H new ATOM 0 HB2 LYS A 53 17.336 -23.825 -9.282 1.00 2.31 H new ATOM 0 HB3 LYS A 53 17.900 -22.383 -10.103 1.00 2.31 H new ATOM 0 HG2 LYS A 53 15.680 -23.647 -11.536 1.00 32.33 H new ATOM 0 HG3 LYS A 53 15.251 -23.259 -9.882 1.00 32.33 H new ATOM 0 HD2 LYS A 53 15.515 -20.972 -10.191 1.00 40.42 H new ATOM 0 HD3 LYS A 53 16.730 -21.166 -11.438 1.00 40.42 H new ATOM 0 HE2 LYS A 53 14.982 -20.541 -12.788 1.00 15.31 H new ATOM 0 HE3 LYS A 53 14.673 -22.266 -12.769 1.00 15.31 H new ATOM 0 HZ1 LYS A 53 12.669 -21.012 -12.306 1.00 11.40 H new ATOM 0 HZ2 LYS A 53 13.100 -21.937 -10.948 1.00 11.40 H new ATOM 0 HZ3 LYS A 53 13.399 -20.265 -10.967 1.00 11.40 H new ATOM 689 N ASP A 54 17.299 -26.283 -10.350 1.00 61.12 N ATOM 690 CA ASP A 54 16.633 -27.579 -10.399 1.00 31.40 C ATOM 691 C ASP A 54 15.184 -27.464 -9.935 1.00 3.20 C ATOM 692 O ASP A 54 14.601 -28.429 -9.444 1.00 32.44 O ATOM 693 CB ASP A 54 17.380 -28.594 -9.531 1.00 50.45 C ATOM 694 CG ASP A 54 17.213 -30.016 -10.030 1.00 2.34 C ATOM 695 OD1 ASP A 54 16.433 -30.223 -10.983 1.00 22.21 O ATOM 696 OD2 ASP A 54 17.863 -30.921 -9.467 1.00 21.12 O ATOM 0 H ASP A 54 17.650 -26.024 -9.428 1.00 61.12 H new ATOM 0 HA ASP A 54 16.638 -27.923 -11.433 1.00 31.40 H new ATOM 0 HB2 ASP A 54 18.440 -28.341 -9.512 1.00 50.45 H new ATOM 0 HB3 ASP A 54 17.018 -28.527 -8.505 1.00 50.45 H new ATOM 701 N ALA A 55 14.611 -26.276 -10.094 1.00 14.43 N ATOM 702 CA ALA A 55 13.230 -26.034 -9.692 1.00 24.00 C ATOM 703 C ALA A 55 12.356 -25.711 -10.899 1.00 31.42 C ATOM 704 O ALA A 55 12.842 -25.329 -11.963 1.00 52.53 O ATOM 705 CB ALA A 55 13.167 -24.904 -8.675 1.00 32.44 C ATOM 0 H ALA A 55 15.081 -25.466 -10.498 1.00 14.43 H new ATOM 0 HA ALA A 55 12.846 -26.944 -9.232 1.00 24.00 H new ATOM 0 HB1 ALA A 55 12.130 -24.734 -8.384 1.00 32.44 H new ATOM 0 HB2 ALA A 55 13.752 -25.173 -7.795 1.00 32.44 H new ATOM 0 HB3 ALA A 55 13.574 -23.994 -9.116 1.00 32.44 H new ATOM 711 N PRO A 56 11.034 -25.869 -10.732 1.00 64.42 N ATOM 712 CA PRO A 56 10.064 -25.600 -11.798 1.00 23.32 C ATOM 713 C PRO A 56 9.946 -24.113 -12.112 1.00 11.12 C ATOM 714 O PRO A 56 10.434 -23.257 -11.374 1.00 24.24 O ATOM 715 CB PRO A 56 8.749 -26.132 -11.223 1.00 1.23 C ATOM 716 CG PRO A 56 8.926 -26.063 -9.745 1.00 43.42 C ATOM 717 CD PRO A 56 10.385 -26.322 -9.490 1.00 63.55 C ATOM 0 HA PRO A 56 10.353 -26.067 -12.740 1.00 23.32 H new ATOM 0 HB2 PRO A 56 7.902 -25.529 -11.549 1.00 1.23 H new ATOM 0 HB3 PRO A 56 8.558 -27.154 -11.552 1.00 1.23 H new ATOM 0 HG2 PRO A 56 8.630 -25.086 -9.362 1.00 43.42 H new ATOM 0 HG3 PRO A 56 8.304 -26.804 -9.243 1.00 43.42 H new ATOM 0 HD2 PRO A 56 10.746 -25.769 -8.623 1.00 63.55 H new ATOM 0 HD3 PRO A 56 10.578 -27.377 -9.297 1.00 63.55 H new ATOM 725 N PRO A 57 9.282 -23.795 -13.233 1.00 14.11 N ATOM 726 CA PRO A 57 9.083 -22.410 -13.669 1.00 52.33 C ATOM 727 C PRO A 57 8.118 -21.650 -12.765 1.00 50.04 C ATOM 728 O PRO A 57 6.906 -21.857 -12.823 1.00 44.13 O ATOM 729 CB PRO A 57 8.493 -22.562 -15.074 1.00 13.54 C ATOM 730 CG PRO A 57 7.840 -23.901 -15.067 1.00 51.45 C ATOM 731 CD PRO A 57 8.673 -24.763 -14.160 1.00 60.34 C ATOM 0 HA PRO A 57 10.010 -21.837 -13.640 1.00 52.33 H new ATOM 0 HB2 PRO A 57 7.774 -21.772 -15.289 1.00 13.54 H new ATOM 0 HB3 PRO A 57 9.269 -22.504 -15.838 1.00 13.54 H new ATOM 0 HG2 PRO A 57 6.814 -23.833 -14.706 1.00 51.45 H new ATOM 0 HG3 PRO A 57 7.797 -24.320 -16.072 1.00 51.45 H new ATOM 0 HD2 PRO A 57 8.064 -25.496 -13.632 1.00 60.34 H new ATOM 0 HD3 PRO A 57 9.429 -25.318 -14.716 1.00 60.34 H new ATOM 739 N GLU A 58 8.664 -20.770 -11.932 1.00 32.14 N ATOM 740 CA GLU A 58 7.850 -19.980 -11.015 1.00 74.14 C ATOM 741 C GLU A 58 7.551 -18.603 -11.602 1.00 71.40 C ATOM 742 O GLU A 58 6.422 -18.118 -11.530 1.00 40.12 O ATOM 743 CB GLU A 58 8.559 -19.830 -9.668 1.00 51.50 C ATOM 744 CG GLU A 58 7.650 -19.340 -8.553 1.00 60.11 C ATOM 745 CD GLU A 58 7.103 -20.473 -7.707 1.00 20.13 C ATOM 746 OE1 GLU A 58 5.865 -20.627 -7.652 1.00 32.34 O ATOM 747 OE2 GLU A 58 7.912 -21.205 -7.100 1.00 22.15 O ATOM 0 H GLU A 58 9.666 -20.586 -11.873 1.00 32.14 H new ATOM 0 HA GLU A 58 6.906 -20.504 -10.863 1.00 74.14 H new ATOM 0 HB2 GLU A 58 8.985 -20.792 -9.382 1.00 51.50 H new ATOM 0 HB3 GLU A 58 9.390 -19.134 -9.780 1.00 51.50 H new ATOM 0 HG2 GLU A 58 8.202 -18.650 -7.916 1.00 60.11 H new ATOM 0 HG3 GLU A 58 6.820 -18.781 -8.985 1.00 60.11 H new ATOM 754 N SER A 59 8.571 -17.980 -12.182 1.00 4.42 N ATOM 755 CA SER A 59 8.420 -16.657 -12.777 1.00 63.01 C ATOM 756 C SER A 59 7.856 -16.759 -14.191 1.00 12.11 C ATOM 757 O SER A 59 7.815 -17.840 -14.778 1.00 75.11 O ATOM 758 CB SER A 59 9.766 -15.930 -12.804 1.00 62.04 C ATOM 759 OG SER A 59 10.834 -16.841 -12.997 1.00 23.21 O ATOM 0 H SER A 59 9.511 -18.370 -12.253 1.00 4.42 H new ATOM 0 HA SER A 59 7.720 -16.088 -12.165 1.00 63.01 H new ATOM 0 HB2 SER A 59 9.767 -15.189 -13.604 1.00 62.04 H new ATOM 0 HB3 SER A 59 9.910 -15.389 -11.869 1.00 62.04 H new ATOM 0 HG SER A 59 11.560 -16.396 -13.483 1.00 23.21 H new ATOM 765 N ARG A 60 7.422 -15.625 -14.731 1.00 51.21 N ATOM 766 CA ARG A 60 6.858 -15.585 -16.075 1.00 65.31 C ATOM 767 C ARG A 60 7.855 -14.989 -17.065 1.00 13.40 C ATOM 768 O ARG A 60 8.220 -13.817 -16.965 1.00 42.24 O ATOM 769 CB ARG A 60 5.564 -14.771 -16.085 1.00 13.44 C ATOM 770 CG ARG A 60 4.416 -15.442 -15.348 1.00 3.12 C ATOM 771 CD ARG A 60 4.043 -16.769 -15.989 1.00 71.15 C ATOM 772 NE ARG A 60 4.177 -17.885 -15.057 1.00 10.13 N ATOM 773 CZ ARG A 60 3.987 -19.155 -15.398 1.00 14.44 C ATOM 774 NH1 ARG A 60 3.656 -19.468 -16.643 1.00 3.22 N ATOM 775 NH2 ARG A 60 4.127 -20.114 -14.492 1.00 23.21 N ATOM 0 H ARG A 60 7.450 -14.722 -14.258 1.00 51.21 H new ATOM 0 HA ARG A 60 6.637 -16.608 -16.379 1.00 65.31 H new ATOM 0 HB2 ARG A 60 5.754 -13.797 -15.634 1.00 13.44 H new ATOM 0 HB3 ARG A 60 5.266 -14.591 -17.118 1.00 13.44 H new ATOM 0 HG2 ARG A 60 4.696 -15.605 -14.307 1.00 3.12 H new ATOM 0 HG3 ARG A 60 3.549 -14.782 -15.345 1.00 3.12 H new ATOM 0 HD2 ARG A 60 3.016 -16.721 -16.351 1.00 71.15 H new ATOM 0 HD3 ARG A 60 4.679 -16.943 -16.857 1.00 71.15 H new ATOM 0 HE ARG A 60 4.430 -17.678 -14.091 1.00 10.13 H new ATOM 0 HH11 ARG A 60 3.547 -18.733 -17.342 1.00 3.22 H new ATOM 0 HH12 ARG A 60 3.511 -20.444 -16.902 1.00 3.22 H new ATOM 0 HH21 ARG A 60 4.381 -19.877 -13.533 1.00 23.21 H new ATOM 0 HH22 ARG A 60 3.981 -21.089 -14.754 1.00 23.21 H new ATOM 789 N THR A 61 8.292 -15.803 -18.021 1.00 33.13 N ATOM 790 CA THR A 61 9.247 -15.357 -19.027 1.00 75.14 C ATOM 791 C THR A 61 8.606 -15.311 -20.410 1.00 2.50 C ATOM 792 O THR A 61 8.361 -16.347 -21.028 1.00 23.03 O ATOM 793 CB THR A 61 10.481 -16.277 -19.077 1.00 4.43 C ATOM 794 OG1 THR A 61 11.283 -15.959 -20.220 1.00 71.41 O ATOM 795 CG2 THR A 61 10.065 -17.739 -19.132 1.00 44.24 C ATOM 0 H THR A 61 7.999 -16.775 -18.119 1.00 33.13 H new ATOM 0 HA THR A 61 9.562 -14.354 -18.741 1.00 75.14 H new ATOM 0 HB THR A 61 11.063 -16.117 -18.170 1.00 4.43 H new ATOM 0 HG1 THR A 61 12.066 -16.547 -20.244 1.00 71.41 H new ATOM 0 HG21 THR A 61 10.954 -18.369 -19.167 1.00 44.24 H new ATOM 0 HG22 THR A 61 9.480 -17.985 -18.245 1.00 44.24 H new ATOM 0 HG23 THR A 61 9.462 -17.912 -20.023 1.00 44.24 H new ATOM 803 N LYS A 62 8.337 -14.102 -20.892 1.00 4.21 N ATOM 804 CA LYS A 62 7.727 -13.919 -22.203 1.00 41.14 C ATOM 805 C LYS A 62 8.356 -12.738 -22.936 1.00 71.12 C ATOM 806 O LYS A 62 8.936 -11.837 -22.329 1.00 72.54 O ATOM 807 CB LYS A 62 6.219 -13.700 -22.061 1.00 2.22 C ATOM 808 CG LYS A 62 5.844 -12.781 -20.911 1.00 40.11 C ATOM 809 CD LYS A 62 5.484 -13.568 -19.662 1.00 63.34 C ATOM 810 CE LYS A 62 3.977 -13.680 -19.489 1.00 3.34 C ATOM 811 NZ LYS A 62 3.465 -15.008 -19.926 1.00 23.04 N ATOM 0 H LYS A 62 8.532 -13.234 -20.393 1.00 4.21 H new ATOM 0 HA LYS A 62 7.903 -14.822 -22.787 1.00 41.14 H new ATOM 0 HB2 LYS A 62 5.832 -13.282 -22.990 1.00 2.22 H new ATOM 0 HB3 LYS A 62 5.732 -14.665 -21.918 1.00 2.22 H new ATOM 0 HG2 LYS A 62 6.676 -12.112 -20.693 1.00 40.11 H new ATOM 0 HG3 LYS A 62 5.000 -12.156 -21.204 1.00 40.11 H new ATOM 0 HD2 LYS A 62 5.920 -14.565 -19.721 1.00 63.34 H new ATOM 0 HD3 LYS A 62 5.917 -13.082 -18.787 1.00 63.34 H new ATOM 0 HE2 LYS A 62 3.719 -13.518 -18.443 1.00 3.34 H new ATOM 0 HE3 LYS A 62 3.486 -12.895 -20.064 1.00 3.34 H new ATOM 0 HZ1 LYS A 62 2.434 -15.044 -19.792 1.00 23.04 H new ATOM 0 HZ2 LYS A 62 3.689 -15.153 -20.931 1.00 23.04 H new ATOM 0 HZ3 LYS A 62 3.914 -15.756 -19.360 1.00 23.04 H new ATOM 825 N PRO A 63 8.239 -12.739 -24.272 1.00 74.44 N ATOM 826 CA PRO A 63 8.788 -11.674 -25.116 1.00 53.12 C ATOM 827 C PRO A 63 8.034 -10.359 -24.953 1.00 54.43 C ATOM 828 O PRO A 63 8.535 -9.295 -25.318 1.00 23.24 O ATOM 829 CB PRO A 63 8.611 -12.219 -26.536 1.00 23.14 C ATOM 830 CG PRO A 63 7.473 -13.175 -26.436 1.00 12.34 C ATOM 831 CD PRO A 63 7.560 -13.781 -25.062 1.00 44.23 C ATOM 0 HA PRO A 63 9.822 -11.443 -24.859 1.00 53.12 H new ATOM 0 HB2 PRO A 63 8.394 -11.418 -27.243 1.00 23.14 H new ATOM 0 HB3 PRO A 63 9.516 -12.716 -26.885 1.00 23.14 H new ATOM 0 HG2 PRO A 63 6.521 -12.664 -26.577 1.00 12.34 H new ATOM 0 HG3 PRO A 63 7.540 -13.943 -27.206 1.00 12.34 H new ATOM 0 HD2 PRO A 63 6.573 -14.010 -24.661 1.00 44.23 H new ATOM 0 HD3 PRO A 63 8.126 -14.713 -25.069 1.00 44.23 H new ATOM 839 N SER A 64 6.826 -10.438 -24.403 1.00 61.33 N ATOM 840 CA SER A 64 6.001 -9.254 -24.195 1.00 43.12 C ATOM 841 C SER A 64 6.770 -8.186 -23.423 1.00 52.53 C ATOM 842 O SER A 64 7.675 -8.494 -22.648 1.00 14.25 O ATOM 843 CB SER A 64 4.722 -9.623 -23.441 1.00 64.22 C ATOM 844 OG SER A 64 3.586 -9.517 -24.282 1.00 23.25 O ATOM 0 H SER A 64 6.397 -11.310 -24.093 1.00 61.33 H new ATOM 0 HA SER A 64 5.734 -8.851 -25.172 1.00 43.12 H new ATOM 0 HB2 SER A 64 4.802 -10.641 -23.059 1.00 64.22 H new ATOM 0 HB3 SER A 64 4.602 -8.967 -22.579 1.00 64.22 H new ATOM 0 HG SER A 64 3.499 -8.594 -24.600 1.00 23.25 H new ATOM 850 N VAL A 65 6.402 -6.927 -23.642 1.00 43.11 N ATOM 851 CA VAL A 65 7.055 -5.812 -22.967 1.00 42.53 C ATOM 852 C VAL A 65 6.193 -5.277 -21.829 1.00 71.03 C ATOM 853 O VAL A 65 4.964 -5.296 -21.905 1.00 62.50 O ATOM 854 CB VAL A 65 7.361 -4.664 -23.948 1.00 0.33 C ATOM 855 CG1 VAL A 65 8.428 -5.084 -24.947 1.00 23.55 C ATOM 856 CG2 VAL A 65 6.093 -4.223 -24.664 1.00 22.04 C ATOM 0 H VAL A 65 5.655 -6.654 -24.281 1.00 43.11 H new ATOM 0 HA VAL A 65 7.992 -6.193 -22.561 1.00 42.53 H new ATOM 0 HB VAL A 65 7.744 -3.817 -23.379 1.00 0.33 H new ATOM 0 HG11 VAL A 65 8.630 -4.260 -25.631 1.00 23.55 H new ATOM 0 HG12 VAL A 65 9.342 -5.346 -24.414 1.00 23.55 H new ATOM 0 HG13 VAL A 65 8.077 -5.947 -25.512 1.00 23.55 H new ATOM 0 HG21 VAL A 65 6.328 -3.412 -25.353 1.00 22.04 H new ATOM 0 HG22 VAL A 65 5.679 -5.063 -25.221 1.00 22.04 H new ATOM 0 HG23 VAL A 65 5.363 -3.878 -23.932 1.00 22.04 H new ATOM 866 N PHE A 66 6.845 -4.799 -20.774 1.00 71.34 N ATOM 867 CA PHE A 66 6.138 -4.259 -19.619 1.00 31.20 C ATOM 868 C PHE A 66 6.255 -2.739 -19.572 1.00 12.51 C ATOM 869 O PHE A 66 7.356 -2.189 -19.579 1.00 42.30 O ATOM 870 CB PHE A 66 6.691 -4.865 -18.327 1.00 51.32 C ATOM 871 CG PHE A 66 6.855 -6.357 -18.387 1.00 2.52 C ATOM 872 CD1 PHE A 66 8.050 -6.951 -18.015 1.00 3.41 C ATOM 873 CD2 PHE A 66 5.814 -7.165 -18.815 1.00 44.32 C ATOM 874 CE1 PHE A 66 8.205 -8.323 -18.068 1.00 73.22 C ATOM 875 CE2 PHE A 66 5.963 -8.538 -18.870 1.00 53.31 C ATOM 876 CZ PHE A 66 7.160 -9.118 -18.497 1.00 53.54 C ATOM 0 H PHE A 66 7.862 -4.775 -20.695 1.00 71.34 H new ATOM 0 HA PHE A 66 5.084 -4.522 -19.713 1.00 31.20 H new ATOM 0 HB2 PHE A 66 7.656 -4.410 -18.106 1.00 51.32 H new ATOM 0 HB3 PHE A 66 6.024 -4.614 -17.503 1.00 51.32 H new ATOM 0 HD1 PHE A 66 8.871 -6.334 -17.679 1.00 3.41 H new ATOM 0 HD2 PHE A 66 4.876 -6.717 -19.109 1.00 44.32 H new ATOM 0 HE1 PHE A 66 9.142 -8.773 -17.774 1.00 73.22 H new ATOM 0 HE2 PHE A 66 5.144 -9.157 -19.205 1.00 53.31 H new ATOM 0 HZ PHE A 66 7.279 -10.191 -18.541 1.00 53.54 H new ATOM 886 N VAL A 67 5.110 -2.064 -19.524 1.00 62.24 N ATOM 887 CA VAL A 67 5.083 -0.607 -19.476 1.00 33.23 C ATOM 888 C VAL A 67 4.363 -0.113 -18.226 1.00 2.40 C ATOM 889 O VAL A 67 3.351 -0.679 -17.814 1.00 20.52 O ATOM 890 CB VAL A 67 4.392 -0.017 -20.720 1.00 5.03 C ATOM 891 CG1 VAL A 67 5.170 -0.368 -21.979 1.00 3.50 C ATOM 892 CG2 VAL A 67 2.956 -0.510 -20.816 1.00 4.43 C ATOM 0 H VAL A 67 4.189 -2.503 -19.517 1.00 62.24 H new ATOM 0 HA VAL A 67 6.120 -0.271 -19.452 1.00 33.23 H new ATOM 0 HB VAL A 67 4.373 1.069 -20.624 1.00 5.03 H new ATOM 0 HG11 VAL A 67 4.667 0.057 -22.848 1.00 3.50 H new ATOM 0 HG12 VAL A 67 6.179 0.039 -21.909 1.00 3.50 H new ATOM 0 HG13 VAL A 67 5.222 -1.452 -22.084 1.00 3.50 H new ATOM 0 HG21 VAL A 67 2.483 -0.083 -21.701 1.00 4.43 H new ATOM 0 HG22 VAL A 67 2.949 -1.597 -20.890 1.00 4.43 H new ATOM 0 HG23 VAL A 67 2.406 -0.203 -19.927 1.00 4.43 H new ATOM 902 N VAL A 68 4.892 0.949 -17.626 1.00 42.23 N ATOM 903 CA VAL A 68 4.300 1.522 -16.424 1.00 12.33 C ATOM 904 C VAL A 68 3.937 2.988 -16.635 1.00 31.14 C ATOM 905 O VAL A 68 4.809 3.830 -16.847 1.00 3.32 O ATOM 906 CB VAL A 68 5.253 1.409 -15.219 1.00 44.15 C ATOM 907 CG1 VAL A 68 4.559 1.862 -13.944 1.00 45.31 C ATOM 908 CG2 VAL A 68 5.767 -0.016 -15.079 1.00 40.13 C ATOM 0 H VAL A 68 5.730 1.430 -17.953 1.00 42.23 H new ATOM 0 HA VAL A 68 3.394 0.952 -16.216 1.00 12.33 H new ATOM 0 HB VAL A 68 6.107 2.064 -15.391 1.00 44.15 H new ATOM 0 HG11 VAL A 68 5.248 1.775 -13.104 1.00 45.31 H new ATOM 0 HG12 VAL A 68 4.245 2.901 -14.050 1.00 45.31 H new ATOM 0 HG13 VAL A 68 3.685 1.236 -13.763 1.00 45.31 H new ATOM 0 HG21 VAL A 68 6.439 -0.078 -14.223 1.00 40.13 H new ATOM 0 HG22 VAL A 68 4.926 -0.693 -14.930 1.00 40.13 H new ATOM 0 HG23 VAL A 68 6.305 -0.299 -15.984 1.00 40.13 H new ATOM 918 N PHE A 69 2.643 3.286 -16.574 1.00 62.03 N ATOM 919 CA PHE A 69 2.164 4.651 -16.759 1.00 72.31 C ATOM 920 C PHE A 69 2.243 5.437 -15.454 1.00 24.33 C ATOM 921 O PHE A 69 2.084 4.877 -14.370 1.00 11.54 O ATOM 922 CB PHE A 69 0.723 4.642 -17.275 1.00 45.35 C ATOM 923 CG PHE A 69 0.606 4.237 -18.717 1.00 52.41 C ATOM 924 CD1 PHE A 69 0.936 2.953 -19.119 1.00 1.30 C ATOM 925 CD2 PHE A 69 0.166 5.141 -19.670 1.00 55.45 C ATOM 926 CE1 PHE A 69 0.829 2.577 -20.445 1.00 13.32 C ATOM 927 CE2 PHE A 69 0.056 4.771 -20.997 1.00 53.05 C ATOM 928 CZ PHE A 69 0.389 3.488 -21.385 1.00 72.13 C ATOM 0 H PHE A 69 1.908 2.601 -16.398 1.00 62.03 H new ATOM 0 HA PHE A 69 2.804 5.138 -17.495 1.00 72.31 H new ATOM 0 HB2 PHE A 69 0.131 3.960 -16.665 1.00 45.35 H new ATOM 0 HB3 PHE A 69 0.294 5.636 -17.149 1.00 45.35 H new ATOM 0 HD1 PHE A 69 1.281 2.237 -18.388 1.00 1.30 H new ATOM 0 HD2 PHE A 69 -0.094 6.146 -19.373 1.00 55.45 H new ATOM 0 HE1 PHE A 69 1.089 1.573 -20.745 1.00 13.32 H new ATOM 0 HE2 PHE A 69 -0.290 5.485 -21.730 1.00 53.05 H new ATOM 0 HZ PHE A 69 0.305 3.198 -22.422 1.00 72.13 H new ATOM 938 N ASN A 70 2.492 6.737 -15.567 1.00 51.42 N ATOM 939 CA ASN A 70 2.594 7.601 -14.397 1.00 1.15 C ATOM 940 C ASN A 70 1.225 8.145 -14.001 1.00 32.15 C ATOM 941 O ASN A 70 0.880 8.187 -12.820 1.00 30.14 O ATOM 942 CB ASN A 70 3.555 8.759 -14.674 1.00 14.33 C ATOM 943 CG ASN A 70 3.431 9.871 -13.649 1.00 62.43 C ATOM 944 OD1 ASN A 70 2.583 10.754 -13.774 1.00 72.14 O ATOM 945 ND2 ASN A 70 4.280 9.831 -12.629 1.00 11.33 N ATOM 0 H ASN A 70 2.627 7.216 -16.457 1.00 51.42 H new ATOM 0 HA ASN A 70 2.982 7.006 -13.570 1.00 1.15 H new ATOM 0 HB2 ASN A 70 4.579 8.385 -14.678 1.00 14.33 H new ATOM 0 HB3 ASN A 70 3.358 9.161 -15.668 1.00 14.33 H new ATOM 0 HD21 ASN A 70 4.245 10.552 -11.908 1.00 11.33 H new ATOM 0 HD22 ASN A 70 4.967 9.079 -12.566 1.00 11.33 H new ATOM 952 N SER A 71 0.448 8.560 -14.996 1.00 63.13 N ATOM 953 CA SER A 71 -0.882 9.104 -14.752 1.00 53.23 C ATOM 954 C SER A 71 -1.887 7.986 -14.489 1.00 4.30 C ATOM 955 O SER A 71 -1.989 7.034 -15.262 1.00 23.21 O ATOM 956 CB SER A 71 -1.339 9.945 -15.946 1.00 33.00 C ATOM 957 OG SER A 71 -0.670 11.194 -15.976 1.00 72.21 O ATOM 0 H SER A 71 0.717 8.530 -15.979 1.00 63.13 H new ATOM 0 HA SER A 71 -0.831 9.739 -13.867 1.00 53.23 H new ATOM 0 HB2 SER A 71 -1.146 9.403 -16.872 1.00 33.00 H new ATOM 0 HB3 SER A 71 -2.415 10.107 -15.890 1.00 33.00 H new ATOM 0 HG SER A 71 -0.978 11.712 -16.749 1.00 72.21 H new ATOM 963 N SER A 72 -2.626 8.110 -13.392 1.00 13.34 N ATOM 964 CA SER A 72 -3.620 7.109 -13.023 1.00 14.33 C ATOM 965 C SER A 72 -4.704 7.001 -14.091 1.00 33.21 C ATOM 966 O SER A 72 -5.031 5.906 -14.549 1.00 13.53 O ATOM 967 CB SER A 72 -4.251 7.459 -11.674 1.00 12.44 C ATOM 968 OG SER A 72 -5.635 7.156 -11.664 1.00 15.32 O ATOM 0 H SER A 72 -2.555 8.894 -12.743 1.00 13.34 H new ATOM 0 HA SER A 72 -3.117 6.146 -12.942 1.00 14.33 H new ATOM 0 HB2 SER A 72 -3.749 6.906 -10.880 1.00 12.44 H new ATOM 0 HB3 SER A 72 -4.106 8.519 -11.465 1.00 12.44 H new ATOM 0 HG SER A 72 -6.014 7.387 -10.790 1.00 15.32 H new ATOM 974 N GLU A 73 -5.257 8.145 -14.482 1.00 73.44 N ATOM 975 CA GLU A 73 -6.305 8.178 -15.496 1.00 11.21 C ATOM 976 C GLU A 73 -5.856 7.463 -16.767 1.00 22.12 C ATOM 977 O GLU A 73 -6.482 6.497 -17.201 1.00 63.41 O ATOM 978 CB GLU A 73 -6.687 9.624 -15.819 1.00 44.31 C ATOM 979 CG GLU A 73 -8.164 9.811 -16.123 1.00 64.34 C ATOM 980 CD GLU A 73 -8.437 11.052 -16.950 1.00 2.44 C ATOM 981 OE1 GLU A 73 -8.306 12.168 -16.404 1.00 14.15 O ATOM 982 OE2 GLU A 73 -8.781 10.909 -18.141 1.00 51.02 O ATOM 0 H GLU A 73 -4.997 9.060 -14.113 1.00 73.44 H new ATOM 0 HA GLU A 73 -7.177 7.659 -15.097 1.00 11.21 H new ATOM 0 HB2 GLU A 73 -6.415 10.259 -14.976 1.00 44.31 H new ATOM 0 HB3 GLU A 73 -6.103 9.962 -16.675 1.00 44.31 H new ATOM 0 HG2 GLU A 73 -8.535 8.935 -16.655 1.00 64.34 H new ATOM 0 HG3 GLU A 73 -8.719 9.874 -15.187 1.00 64.34 H new ATOM 989 N GLU A 74 -4.767 7.946 -17.358 1.00 13.24 N ATOM 990 CA GLU A 74 -4.235 7.354 -18.579 1.00 73.13 C ATOM 991 C GLU A 74 -3.863 5.891 -18.357 1.00 72.33 C ATOM 992 O GLU A 74 -4.004 5.061 -19.255 1.00 24.42 O ATOM 993 CB GLU A 74 -3.011 8.136 -19.060 1.00 71.43 C ATOM 994 CG GLU A 74 -3.016 8.415 -20.554 1.00 5.12 C ATOM 995 CD GLU A 74 -3.858 9.622 -20.919 1.00 33.40 C ATOM 996 OE1 GLU A 74 -5.029 9.680 -20.487 1.00 24.25 O ATOM 997 OE2 GLU A 74 -3.348 10.507 -21.637 1.00 35.11 O ATOM 0 H GLU A 74 -4.237 8.745 -17.011 1.00 13.24 H new ATOM 0 HA GLU A 74 -5.011 7.402 -19.343 1.00 73.13 H new ATOM 0 HB2 GLU A 74 -2.961 9.083 -18.522 1.00 71.43 H new ATOM 0 HB3 GLU A 74 -2.110 7.577 -18.806 1.00 71.43 H new ATOM 0 HG2 GLU A 74 -1.993 8.575 -20.893 1.00 5.12 H new ATOM 0 HG3 GLU A 74 -3.394 7.540 -21.082 1.00 5.12 H new ATOM 1004 N ALA A 75 -3.387 5.583 -17.155 1.00 54.21 N ATOM 1005 CA ALA A 75 -2.996 4.221 -16.814 1.00 13.21 C ATOM 1006 C ALA A 75 -4.161 3.254 -16.996 1.00 63.43 C ATOM 1007 O ALA A 75 -4.048 2.262 -17.716 1.00 23.44 O ATOM 1008 CB ALA A 75 -2.478 4.163 -15.384 1.00 53.24 C ATOM 0 H ALA A 75 -3.263 6.259 -16.401 1.00 54.21 H new ATOM 0 HA ALA A 75 -2.197 3.918 -17.491 1.00 13.21 H new ATOM 0 HB1 ALA A 75 -2.190 3.140 -15.143 1.00 53.24 H new ATOM 0 HB2 ALA A 75 -1.612 4.817 -15.284 1.00 53.24 H new ATOM 0 HB3 ALA A 75 -3.261 4.490 -14.700 1.00 53.24 H new ATOM 1014 N GLU A 76 -5.278 3.549 -16.340 1.00 31.04 N ATOM 1015 CA GLU A 76 -6.462 2.703 -16.429 1.00 74.02 C ATOM 1016 C GLU A 76 -7.017 2.692 -17.851 1.00 11.33 C ATOM 1017 O GLU A 76 -7.450 1.655 -18.352 1.00 21.03 O ATOM 1018 CB GLU A 76 -7.537 3.187 -15.454 1.00 55.41 C ATOM 1019 CG GLU A 76 -7.103 3.144 -13.999 1.00 12.23 C ATOM 1020 CD GLU A 76 -8.276 3.191 -13.038 1.00 63.53 C ATOM 1021 OE1 GLU A 76 -9.430 3.214 -13.514 1.00 15.33 O ATOM 1022 OE2 GLU A 76 -8.039 3.203 -11.812 1.00 52.34 O ATOM 0 H GLU A 76 -5.388 4.367 -15.741 1.00 31.04 H new ATOM 0 HA GLU A 76 -6.172 1.687 -16.163 1.00 74.02 H new ATOM 0 HB2 GLU A 76 -7.815 4.209 -15.711 1.00 55.41 H new ATOM 0 HB3 GLU A 76 -8.429 2.573 -15.576 1.00 55.41 H new ATOM 0 HG2 GLU A 76 -6.529 2.234 -13.822 1.00 12.23 H new ATOM 0 HG3 GLU A 76 -6.439 3.984 -13.797 1.00 12.23 H new ATOM 1029 N ALA A 77 -7.001 3.855 -18.495 1.00 30.14 N ATOM 1030 CA ALA A 77 -7.501 3.980 -19.858 1.00 64.12 C ATOM 1031 C ALA A 77 -6.804 2.994 -20.790 1.00 51.45 C ATOM 1032 O ALA A 77 -7.456 2.259 -21.532 1.00 52.10 O ATOM 1033 CB ALA A 77 -7.316 5.405 -20.359 1.00 64.55 C ATOM 0 H ALA A 77 -6.647 4.724 -18.094 1.00 30.14 H new ATOM 0 HA ALA A 77 -8.565 3.744 -19.852 1.00 64.12 H new ATOM 0 HB1 ALA A 77 -7.694 5.484 -21.378 1.00 64.55 H new ATOM 0 HB2 ALA A 77 -7.865 6.091 -19.714 1.00 64.55 H new ATOM 0 HB3 ALA A 77 -6.257 5.661 -20.344 1.00 64.55 H new ATOM 1039 N PHE A 78 -5.476 2.985 -20.749 1.00 1.13 N ATOM 1040 CA PHE A 78 -4.691 2.091 -21.591 1.00 62.34 C ATOM 1041 C PHE A 78 -4.873 0.638 -21.161 1.00 1.33 C ATOM 1042 O PHE A 78 -4.946 -0.262 -21.996 1.00 73.41 O ATOM 1043 CB PHE A 78 -3.210 2.470 -21.533 1.00 24.11 C ATOM 1044 CG PHE A 78 -2.815 3.503 -22.549 1.00 63.02 C ATOM 1045 CD1 PHE A 78 -2.043 3.155 -23.646 1.00 52.33 C ATOM 1046 CD2 PHE A 78 -3.215 4.822 -22.407 1.00 64.01 C ATOM 1047 CE1 PHE A 78 -1.678 4.103 -24.584 1.00 13.44 C ATOM 1048 CE2 PHE A 78 -2.853 5.774 -23.341 1.00 52.23 C ATOM 1049 CZ PHE A 78 -2.083 5.415 -24.430 1.00 71.22 C ATOM 0 H PHE A 78 -4.921 3.587 -20.141 1.00 1.13 H new ATOM 0 HA PHE A 78 -5.046 2.195 -22.616 1.00 62.34 H new ATOM 0 HB2 PHE A 78 -2.978 2.845 -20.536 1.00 24.11 H new ATOM 0 HB3 PHE A 78 -2.608 1.574 -21.685 1.00 24.11 H new ATOM 0 HD1 PHE A 78 -1.723 2.131 -23.770 1.00 52.33 H new ATOM 0 HD2 PHE A 78 -3.816 5.109 -21.557 1.00 64.01 H new ATOM 0 HE1 PHE A 78 -1.077 3.819 -25.435 1.00 13.44 H new ATOM 0 HE2 PHE A 78 -3.172 6.799 -23.219 1.00 52.23 H new ATOM 0 HZ PHE A 78 -1.798 6.158 -25.160 1.00 71.22 H new ATOM 1059 N GLN A 79 -4.944 0.420 -19.852 1.00 12.04 N ATOM 1060 CA GLN A 79 -5.116 -0.923 -19.310 1.00 13.33 C ATOM 1061 C GLN A 79 -6.360 -1.588 -19.889 1.00 72.32 C ATOM 1062 O GLN A 79 -6.326 -2.752 -20.289 1.00 24.31 O ATOM 1063 CB GLN A 79 -5.215 -0.871 -17.784 1.00 61.11 C ATOM 1064 CG GLN A 79 -4.290 -1.852 -17.081 1.00 75.02 C ATOM 1065 CD GLN A 79 -3.887 -1.384 -15.697 1.00 34.54 C ATOM 1066 OE1 GLN A 79 -4.039 -2.112 -14.715 1.00 2.24 O ATOM 1067 NE2 GLN A 79 -3.370 -0.164 -15.611 1.00 34.43 N ATOM 0 H GLN A 79 -4.885 1.155 -19.147 1.00 12.04 H new ATOM 0 HA GLN A 79 -4.245 -1.515 -19.591 1.00 13.33 H new ATOM 0 HB2 GLN A 79 -4.983 0.139 -17.447 1.00 61.11 H new ATOM 0 HB3 GLN A 79 -6.243 -1.078 -17.488 1.00 61.11 H new ATOM 0 HG2 GLN A 79 -4.785 -2.820 -17.003 1.00 75.02 H new ATOM 0 HG3 GLN A 79 -3.395 -1.999 -17.686 1.00 75.02 H new ATOM 0 HE21 GLN A 79 -3.262 0.405 -16.451 1.00 34.43 H new ATOM 0 HE22 GLN A 79 -3.081 0.205 -14.705 1.00 34.43 H new ATOM 1076 N LYS A 80 -7.459 -0.842 -19.932 1.00 21.33 N ATOM 1077 CA LYS A 80 -8.715 -1.359 -20.463 1.00 3.40 C ATOM 1078 C LYS A 80 -8.556 -1.782 -21.920 1.00 12.41 C ATOM 1079 O LYS A 80 -8.612 -2.968 -22.241 1.00 74.20 O ATOM 1080 CB LYS A 80 -9.815 -0.302 -20.345 1.00 12.35 C ATOM 1081 CG LYS A 80 -11.210 -0.845 -20.600 1.00 34.10 C ATOM 1082 CD LYS A 80 -12.280 0.168 -20.229 1.00 11.22 C ATOM 1083 CE LYS A 80 -12.820 0.884 -21.457 1.00 72.15 C ATOM 1084 NZ LYS A 80 -13.689 2.036 -21.091 1.00 1.51 N ATOM 0 H LYS A 80 -7.505 0.123 -19.605 1.00 21.33 H new ATOM 0 HA LYS A 80 -8.996 -2.234 -19.877 1.00 3.40 H new ATOM 0 HB2 LYS A 80 -9.781 0.136 -19.347 1.00 12.35 H new ATOM 0 HB3 LYS A 80 -9.612 0.502 -21.053 1.00 12.35 H new ATOM 0 HG2 LYS A 80 -11.310 -1.113 -21.652 1.00 34.10 H new ATOM 0 HG3 LYS A 80 -11.357 -1.758 -20.023 1.00 34.10 H new ATOM 0 HD2 LYS A 80 -13.097 -0.337 -19.712 1.00 11.22 H new ATOM 0 HD3 LYS A 80 -11.866 0.898 -19.534 1.00 11.22 H new ATOM 0 HE2 LYS A 80 -11.988 1.236 -22.067 1.00 72.15 H new ATOM 0 HE3 LYS A 80 -13.387 0.181 -22.067 1.00 72.15 H new ATOM 0 HZ1 LYS A 80 -14.037 2.497 -21.956 1.00 1.51 H new ATOM 0 HZ2 LYS A 80 -14.497 1.697 -20.531 1.00 1.51 H new ATOM 0 HZ3 LYS A 80 -13.141 2.720 -20.531 1.00 1.51 H new ATOM 1098 N ALA A 81 -8.357 -0.803 -22.797 1.00 24.20 N ATOM 1099 CA ALA A 81 -8.186 -1.075 -24.219 1.00 33.01 C ATOM 1100 C ALA A 81 -6.881 -0.481 -24.739 1.00 34.42 C ATOM 1101 O ALA A 81 -6.294 0.415 -24.132 1.00 62.44 O ATOM 1102 CB ALA A 81 -9.368 -0.528 -25.006 1.00 1.00 C ATOM 0 H ALA A 81 -8.310 0.185 -22.548 1.00 24.20 H new ATOM 0 HA ALA A 81 -8.142 -2.156 -24.355 1.00 33.01 H new ATOM 0 HB1 ALA A 81 -9.228 -0.738 -26.066 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -10.286 -1.003 -24.661 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -9.438 0.549 -24.856 1.00 1.00 H new ATOM 1108 N PRO A 82 -6.415 -0.991 -25.888 1.00 71.35 N ATOM 1109 CA PRO A 82 -5.174 -0.526 -26.515 1.00 72.01 C ATOM 1110 C PRO A 82 -5.303 0.885 -27.079 1.00 73.22 C ATOM 1111 O PRO A 82 -6.398 1.435 -27.195 1.00 55.13 O ATOM 1112 CB PRO A 82 -4.947 -1.535 -27.644 1.00 11.41 C ATOM 1113 CG PRO A 82 -6.305 -2.057 -27.964 1.00 21.43 C ATOM 1114 CD PRO A 82 -7.064 -2.061 -26.666 1.00 3.15 C ATOM 0 HA PRO A 82 -4.352 -0.473 -25.801 1.00 72.01 H new ATOM 0 HB2 PRO A 82 -4.490 -1.061 -28.513 1.00 11.41 H new ATOM 0 HB3 PRO A 82 -4.279 -2.337 -27.330 1.00 11.41 H new ATOM 0 HG2 PRO A 82 -6.800 -1.428 -28.704 1.00 21.43 H new ATOM 0 HG3 PRO A 82 -6.248 -3.061 -28.386 1.00 21.43 H new ATOM 0 HD2 PRO A 82 -8.124 -1.860 -26.820 1.00 3.15 H new ATOM 0 HD3 PRO A 82 -6.992 -3.025 -26.162 1.00 3.15 H new ATOM 1122 N PRO A 83 -4.160 1.486 -27.439 1.00 65.12 N ATOM 1123 CA PRO A 83 -4.119 2.840 -27.998 1.00 51.44 C ATOM 1124 C PRO A 83 -4.710 2.906 -29.403 1.00 21.34 C ATOM 1125 O PRO A 83 -5.310 3.909 -29.787 1.00 74.32 O ATOM 1126 CB PRO A 83 -2.624 3.166 -28.032 1.00 23.22 C ATOM 1127 CG PRO A 83 -1.949 1.840 -28.105 1.00 60.34 C ATOM 1128 CD PRO A 83 -2.818 0.889 -27.329 1.00 2.33 C ATOM 0 HA PRO A 83 -4.709 3.541 -27.408 1.00 51.44 H new ATOM 0 HB2 PRO A 83 -2.373 3.786 -28.893 1.00 23.22 H new ATOM 0 HB3 PRO A 83 -2.319 3.717 -27.143 1.00 23.22 H new ATOM 0 HG2 PRO A 83 -1.841 1.514 -29.139 1.00 60.34 H new ATOM 0 HG3 PRO A 83 -0.947 1.888 -27.679 1.00 60.34 H new ATOM 0 HD2 PRO A 83 -2.790 -0.116 -27.750 1.00 2.33 H new ATOM 0 HD3 PRO A 83 -2.498 0.809 -26.290 1.00 2.33 H new ATOM 1136 N MET A 84 -4.536 1.830 -30.163 1.00 41.15 N ATOM 1137 CA MET A 84 -5.054 1.766 -31.525 1.00 70.31 C ATOM 1138 C MET A 84 -4.411 2.835 -32.403 1.00 14.35 C ATOM 1139 O MET A 84 -4.868 3.978 -32.440 1.00 74.11 O ATOM 1140 CB MET A 84 -6.574 1.936 -31.524 1.00 14.53 C ATOM 1141 CG MET A 84 -7.327 0.679 -31.928 1.00 15.43 C ATOM 1142 SD MET A 84 -8.421 0.947 -33.336 1.00 14.42 S ATOM 1143 CE MET A 84 -10.025 0.791 -32.553 1.00 61.24 C ATOM 0 H MET A 84 -4.041 0.991 -29.860 1.00 41.15 H new ATOM 0 HA MET A 84 -4.806 0.787 -31.935 1.00 70.31 H new ATOM 0 HB2 MET A 84 -6.897 2.238 -30.528 1.00 14.53 H new ATOM 0 HB3 MET A 84 -6.841 2.744 -32.205 1.00 14.53 H new ATOM 0 HG2 MET A 84 -6.611 -0.106 -32.173 1.00 15.43 H new ATOM 0 HG3 MET A 84 -7.913 0.323 -31.080 1.00 15.43 H new ATOM 0 HE1 MET A 84 -10.809 0.932 -33.297 1.00 61.24 H new ATOM 0 HE2 MET A 84 -10.119 -0.201 -32.111 1.00 61.24 H new ATOM 0 HE3 MET A 84 -10.125 1.547 -31.774 1.00 61.24 H new ATOM 1153 N TYR A 85 -3.350 2.458 -33.106 1.00 22.41 N ATOM 1154 CA TYR A 85 -2.643 3.386 -33.981 1.00 20.53 C ATOM 1155 C TYR A 85 -2.665 2.896 -35.426 1.00 2.04 C ATOM 1156 O TYR A 85 -2.295 1.758 -35.713 1.00 24.52 O ATOM 1157 CB TYR A 85 -1.198 3.561 -33.512 1.00 24.12 C ATOM 1158 CG TYR A 85 -0.787 5.006 -33.344 1.00 44.34 C ATOM 1159 CD1 TYR A 85 -0.114 5.430 -32.204 1.00 55.24 C ATOM 1160 CD2 TYR A 85 -1.071 5.948 -34.325 1.00 41.23 C ATOM 1161 CE1 TYR A 85 0.263 6.750 -32.047 1.00 34.13 C ATOM 1162 CE2 TYR A 85 -0.696 7.270 -34.177 1.00 34.42 C ATOM 1163 CZ TYR A 85 -0.030 7.666 -33.036 1.00 32.42 C ATOM 1164 OH TYR A 85 0.343 8.981 -32.883 1.00 43.24 O ATOM 0 H TYR A 85 -2.960 1.516 -33.087 1.00 22.41 H new ATOM 0 HA TYR A 85 -3.152 4.349 -33.935 1.00 20.53 H new ATOM 0 HB2 TYR A 85 -1.068 3.042 -32.562 1.00 24.12 H new ATOM 0 HB3 TYR A 85 -0.531 3.084 -34.230 1.00 24.12 H new ATOM 0 HD1 TYR A 85 0.118 4.716 -31.428 1.00 55.24 H new ATOM 0 HD2 TYR A 85 -1.594 5.642 -35.219 1.00 41.23 H new ATOM 0 HE1 TYR A 85 0.784 7.063 -31.155 1.00 34.13 H new ATOM 0 HE2 TYR A 85 -0.923 7.989 -34.950 1.00 34.42 H new ATOM 0 HH TYR A 85 0.063 9.494 -33.670 1.00 43.24 H new ATOM 1174 N ASP A 86 -3.101 3.765 -36.331 1.00 24.01 N ATOM 1175 CA ASP A 86 -3.170 3.424 -37.747 1.00 62.31 C ATOM 1176 C ASP A 86 -1.815 2.940 -38.256 1.00 55.43 C ATOM 1177 O ASP A 86 -1.731 1.945 -38.976 1.00 50.45 O ATOM 1178 CB ASP A 86 -3.634 4.631 -38.563 1.00 1.54 C ATOM 1179 CG ASP A 86 -5.079 4.997 -38.285 1.00 61.43 C ATOM 1180 OD1 ASP A 86 -5.519 4.842 -37.126 1.00 65.24 O ATOM 1181 OD2 ASP A 86 -5.770 5.438 -39.227 1.00 10.02 O ATOM 0 H ASP A 86 -3.412 4.711 -36.109 1.00 24.01 H new ATOM 0 HA ASP A 86 -3.892 2.616 -37.866 1.00 62.31 H new ATOM 0 HB2 ASP A 86 -2.996 5.485 -38.337 1.00 1.54 H new ATOM 0 HB3 ASP A 86 -3.515 4.416 -39.625 1.00 1.54 H new ATOM 1186 N ASP A 87 -0.759 3.652 -37.878 1.00 71.35 N ATOM 1187 CA ASP A 87 0.592 3.296 -38.297 1.00 32.52 C ATOM 1188 C ASP A 87 0.892 1.834 -37.978 1.00 52.14 C ATOM 1189 O ASP A 87 1.130 1.028 -38.878 1.00 32.01 O ATOM 1190 CB ASP A 87 1.616 4.201 -37.611 1.00 23.42 C ATOM 1191 CG ASP A 87 2.031 5.370 -38.482 1.00 71.00 C ATOM 1192 OD1 ASP A 87 1.895 6.526 -38.028 1.00 62.23 O ATOM 1193 OD2 ASP A 87 2.492 5.129 -39.617 1.00 52.52 O ATOM 0 H ASP A 87 -0.812 4.479 -37.283 1.00 71.35 H new ATOM 0 HA ASP A 87 0.661 3.435 -39.376 1.00 32.52 H new ATOM 0 HB2 ASP A 87 1.196 4.578 -36.678 1.00 23.42 H new ATOM 0 HB3 ASP A 87 2.497 3.615 -37.350 1.00 23.42 H new ATOM 1198 N VAL A 88 0.880 1.499 -36.692 1.00 13.40 N ATOM 1199 CA VAL A 88 1.150 0.135 -36.254 1.00 43.24 C ATOM 1200 C VAL A 88 0.090 -0.347 -35.270 1.00 45.32 C ATOM 1201 O VAL A 88 -0.207 0.328 -34.285 1.00 32.22 O ATOM 1202 CB VAL A 88 2.537 0.022 -35.594 1.00 44.32 C ATOM 1203 CG1 VAL A 88 2.814 -1.414 -35.176 1.00 4.44 C ATOM 1204 CG2 VAL A 88 3.618 0.530 -36.537 1.00 24.34 C ATOM 0 H VAL A 88 0.686 2.154 -35.935 1.00 13.40 H new ATOM 0 HA VAL A 88 1.127 -0.494 -37.144 1.00 43.24 H new ATOM 0 HB VAL A 88 2.546 0.644 -34.699 1.00 44.32 H new ATOM 0 HG11 VAL A 88 3.798 -1.474 -34.712 1.00 4.44 H new ATOM 0 HG12 VAL A 88 2.056 -1.738 -34.463 1.00 4.44 H new ATOM 0 HG13 VAL A 88 2.787 -2.060 -36.053 1.00 4.44 H new ATOM 0 HG21 VAL A 88 4.592 0.443 -36.055 1.00 24.34 H new ATOM 0 HG22 VAL A 88 3.611 -0.063 -37.451 1.00 24.34 H new ATOM 0 HG23 VAL A 88 3.426 1.575 -36.781 1.00 24.34 H new ATOM 1214 N GLN A 89 -0.475 -1.518 -35.544 1.00 40.24 N ATOM 1215 CA GLN A 89 -1.502 -2.090 -34.682 1.00 55.04 C ATOM 1216 C GLN A 89 -0.936 -2.422 -33.306 1.00 45.30 C ATOM 1217 O GLN A 89 0.015 -3.196 -33.184 1.00 50.34 O ATOM 1218 CB GLN A 89 -2.091 -3.349 -35.322 1.00 12.15 C ATOM 1219 CG GLN A 89 -3.517 -3.169 -35.819 1.00 25.24 C ATOM 1220 CD GLN A 89 -4.323 -4.451 -35.753 1.00 53.04 C ATOM 1221 OE1 GLN A 89 -3.923 -5.479 -36.301 1.00 2.33 O ATOM 1222 NE2 GLN A 89 -5.467 -4.397 -35.082 1.00 34.15 N ATOM 0 H GLN A 89 -0.239 -2.089 -36.356 1.00 40.24 H new ATOM 0 HA GLN A 89 -2.292 -1.349 -34.560 1.00 55.04 H new ATOM 0 HB2 GLN A 89 -1.459 -3.651 -36.157 1.00 12.15 H new ATOM 0 HB3 GLN A 89 -2.068 -4.161 -34.595 1.00 12.15 H new ATOM 0 HG2 GLN A 89 -4.012 -2.402 -35.223 1.00 25.24 H new ATOM 0 HG3 GLN A 89 -3.497 -2.809 -36.848 1.00 25.24 H new ATOM 0 HE21 GLN A 89 -5.760 -3.524 -34.643 1.00 34.15 H new ATOM 0 HE22 GLN A 89 -6.053 -5.228 -35.005 1.00 34.15 H new ATOM 1231 N LEU A 90 -1.524 -1.832 -32.272 1.00 1.55 N ATOM 1232 CA LEU A 90 -1.077 -2.064 -30.902 1.00 73.04 C ATOM 1233 C LEU A 90 -1.997 -3.051 -30.190 1.00 2.42 C ATOM 1234 O LEU A 90 -3.219 -2.988 -30.327 1.00 11.02 O ATOM 1235 CB LEU A 90 -1.029 -0.745 -30.130 1.00 12.33 C ATOM 1236 CG LEU A 90 0.358 -0.273 -29.693 1.00 41.20 C ATOM 1237 CD1 LEU A 90 1.046 -1.340 -28.856 1.00 61.01 C ATOM 1238 CD2 LEU A 90 1.206 0.086 -30.905 1.00 75.41 C ATOM 0 H LEU A 90 -2.312 -1.189 -32.355 1.00 1.55 H new ATOM 0 HA LEU A 90 -0.075 -2.492 -30.940 1.00 73.04 H new ATOM 0 HB2 LEU A 90 -1.477 0.032 -30.750 1.00 12.33 H new ATOM 0 HB3 LEU A 90 -1.654 -0.844 -29.242 1.00 12.33 H new ATOM 0 HG LEU A 90 0.240 0.620 -29.080 1.00 41.20 H new ATOM 0 HD11 LEU A 90 2.032 -0.986 -28.554 1.00 61.01 H new ATOM 0 HD12 LEU A 90 0.448 -1.548 -27.969 1.00 61.01 H new ATOM 0 HD13 LEU A 90 1.152 -2.252 -29.444 1.00 61.01 H new ATOM 0 HD21 LEU A 90 2.190 0.420 -30.575 1.00 75.41 H new ATOM 0 HD22 LEU A 90 1.316 -0.790 -31.545 1.00 75.41 H new ATOM 0 HD23 LEU A 90 0.721 0.885 -31.465 1.00 75.41 H new ATOM 1250 N THR A 91 -1.401 -3.961 -29.426 1.00 31.31 N ATOM 1251 CA THR A 91 -2.166 -4.961 -28.691 1.00 2.44 C ATOM 1252 C THR A 91 -1.769 -4.983 -27.219 1.00 14.21 C ATOM 1253 O THR A 91 -0.718 -5.511 -26.857 1.00 75.23 O ATOM 1254 CB THR A 91 -1.969 -6.368 -29.285 1.00 1.11 C ATOM 1255 OG1 THR A 91 -1.950 -6.298 -30.715 1.00 52.40 O ATOM 1256 CG2 THR A 91 -3.078 -7.306 -28.833 1.00 25.33 C ATOM 0 H THR A 91 -0.391 -4.026 -29.300 1.00 31.31 H new ATOM 0 HA THR A 91 -3.216 -4.682 -28.778 1.00 2.44 H new ATOM 0 HB THR A 91 -1.016 -6.759 -28.928 1.00 1.11 H new ATOM 0 HG1 THR A 91 -1.823 -7.197 -31.085 1.00 52.40 H new ATOM 0 HG21 THR A 91 -2.918 -8.294 -29.265 1.00 25.33 H new ATOM 0 HG22 THR A 91 -3.071 -7.380 -27.746 1.00 25.33 H new ATOM 0 HG23 THR A 91 -4.041 -6.917 -29.164 1.00 25.33 H new ATOM 1264 N ALA A 92 -2.618 -4.406 -26.374 1.00 24.34 N ATOM 1265 CA ALA A 92 -2.357 -4.363 -24.940 1.00 45.22 C ATOM 1266 C ALA A 92 -3.344 -5.238 -24.176 1.00 2.14 C ATOM 1267 O ALA A 92 -4.512 -5.341 -24.547 1.00 53.13 O ATOM 1268 CB ALA A 92 -2.419 -2.929 -24.436 1.00 1.32 C ATOM 0 H ALA A 92 -3.492 -3.962 -26.658 1.00 24.34 H new ATOM 0 HA ALA A 92 -1.355 -4.755 -24.766 1.00 45.22 H new ATOM 0 HB1 ALA A 92 -2.222 -2.911 -23.364 1.00 1.32 H new ATOM 0 HB2 ALA A 92 -1.670 -2.329 -24.952 1.00 1.32 H new ATOM 0 HB3 ALA A 92 -3.410 -2.518 -24.630 1.00 1.32 H new ATOM 1274 N GLU A 93 -2.865 -5.867 -23.106 1.00 55.34 N ATOM 1275 CA GLU A 93 -3.707 -6.734 -22.291 1.00 73.41 C ATOM 1276 C GLU A 93 -3.862 -6.173 -20.880 1.00 60.25 C ATOM 1277 O GLU A 93 -3.146 -5.254 -20.485 1.00 43.00 O ATOM 1278 CB GLU A 93 -3.116 -8.144 -22.229 1.00 23.11 C ATOM 1279 CG GLU A 93 -3.628 -9.068 -23.321 1.00 32.01 C ATOM 1280 CD GLU A 93 -4.969 -9.688 -22.979 1.00 21.34 C ATOM 1281 OE1 GLU A 93 -5.796 -8.999 -22.345 1.00 72.54 O ATOM 1282 OE2 GLU A 93 -5.191 -10.862 -23.343 1.00 42.32 O ATOM 0 H GLU A 93 -1.900 -5.792 -22.785 1.00 55.34 H new ATOM 0 HA GLU A 93 -4.692 -6.781 -22.755 1.00 73.41 H new ATOM 0 HB2 GLU A 93 -2.030 -8.077 -22.301 1.00 23.11 H new ATOM 0 HB3 GLU A 93 -3.345 -8.582 -21.257 1.00 23.11 H new ATOM 0 HG2 GLU A 93 -3.717 -8.509 -24.252 1.00 32.01 H new ATOM 0 HG3 GLU A 93 -2.899 -9.860 -23.493 1.00 32.01 H new ATOM 1289 N MET A 94 -4.803 -6.733 -20.127 1.00 62.21 N ATOM 1290 CA MET A 94 -5.052 -6.289 -18.760 1.00 65.44 C ATOM 1291 C MET A 94 -4.469 -7.276 -17.754 1.00 31.52 C ATOM 1292 O MET A 94 -4.350 -8.469 -18.036 1.00 32.15 O ATOM 1293 CB MET A 94 -6.553 -6.125 -18.520 1.00 55.34 C ATOM 1294 CG MET A 94 -6.898 -4.969 -17.595 1.00 41.23 C ATOM 1295 SD MET A 94 -8.671 -4.651 -17.511 1.00 22.33 S ATOM 1296 CE MET A 94 -8.684 -2.962 -16.917 1.00 12.43 C ATOM 0 H MET A 94 -5.405 -7.494 -20.440 1.00 62.21 H new ATOM 0 HA MET A 94 -4.562 -5.325 -18.622 1.00 65.44 H new ATOM 0 HB2 MET A 94 -7.051 -5.974 -19.478 1.00 55.34 H new ATOM 0 HB3 MET A 94 -6.948 -7.049 -18.097 1.00 55.34 H new ATOM 0 HG2 MET A 94 -6.524 -5.186 -16.594 1.00 41.23 H new ATOM 0 HG3 MET A 94 -6.387 -4.069 -17.938 1.00 41.23 H new ATOM 0 HE1 MET A 94 -9.713 -2.645 -16.745 1.00 12.43 H new ATOM 0 HE2 MET A 94 -8.125 -2.900 -15.984 1.00 12.43 H new ATOM 0 HE3 MET A 94 -8.223 -2.311 -17.660 1.00 12.43 H new ATOM 1306 N LYS A 95 -4.107 -6.772 -16.579 1.00 62.21 N ATOM 1307 CA LYS A 95 -3.537 -7.609 -15.530 1.00 15.15 C ATOM 1308 C LYS A 95 -4.521 -8.695 -15.106 1.00 61.44 C ATOM 1309 O LYS A 95 -4.125 -9.820 -14.797 1.00 12.23 O ATOM 1310 CB LYS A 95 -3.154 -6.754 -14.319 1.00 64.35 C ATOM 1311 CG LYS A 95 -4.308 -5.942 -13.758 1.00 23.34 C ATOM 1312 CD LYS A 95 -3.852 -5.033 -12.629 1.00 52.40 C ATOM 1313 CE LYS A 95 -4.910 -3.993 -12.289 1.00 64.44 C ATOM 1314 NZ LYS A 95 -4.305 -2.669 -11.977 1.00 12.25 N ATOM 0 H LYS A 95 -4.198 -5.787 -16.329 1.00 62.21 H new ATOM 0 HA LYS A 95 -2.642 -8.088 -15.928 1.00 15.15 H new ATOM 0 HB2 LYS A 95 -2.763 -7.403 -13.536 1.00 64.35 H new ATOM 0 HB3 LYS A 95 -2.349 -6.077 -14.603 1.00 64.35 H new ATOM 0 HG2 LYS A 95 -4.752 -5.342 -14.552 1.00 23.34 H new ATOM 0 HG3 LYS A 95 -5.085 -6.615 -13.394 1.00 23.34 H new ATOM 0 HD2 LYS A 95 -3.631 -5.631 -11.745 1.00 52.40 H new ATOM 0 HD3 LYS A 95 -2.927 -4.533 -12.914 1.00 52.40 H new ATOM 0 HE2 LYS A 95 -5.600 -3.889 -13.127 1.00 64.44 H new ATOM 0 HE3 LYS A 95 -5.495 -4.335 -11.435 1.00 64.44 H new ATOM 0 HZ1 LYS A 95 -4.971 -2.109 -11.407 1.00 12.25 H new ATOM 0 HZ2 LYS A 95 -3.423 -2.807 -11.443 1.00 12.25 H new ATOM 0 HZ3 LYS A 95 -4.098 -2.165 -12.863 1.00 12.25 H new ATOM 1328 N THR A 96 -5.806 -8.353 -15.097 1.00 24.45 N ATOM 1329 CA THR A 96 -6.845 -9.299 -14.712 1.00 35.40 C ATOM 1330 C THR A 96 -6.891 -10.486 -15.668 1.00 45.43 C ATOM 1331 O THR A 96 -6.959 -11.639 -15.242 1.00 11.13 O ATOM 1332 CB THR A 96 -8.231 -8.628 -14.679 1.00 74.11 C ATOM 1333 OG1 THR A 96 -8.137 -7.339 -14.063 1.00 42.23 O ATOM 1334 CG2 THR A 96 -9.231 -9.487 -13.919 1.00 3.23 C ATOM 0 H THR A 96 -6.151 -7.428 -15.352 1.00 24.45 H new ATOM 0 HA THR A 96 -6.595 -9.652 -13.711 1.00 35.40 H new ATOM 0 HB THR A 96 -8.580 -8.515 -15.706 1.00 74.11 H new ATOM 0 HG1 THR A 96 -9.022 -6.918 -14.048 1.00 42.23 H new ATOM 0 HG21 THR A 96 -10.202 -8.992 -13.909 1.00 3.23 H new ATOM 0 HG22 THR A 96 -9.323 -10.457 -14.408 1.00 3.23 H new ATOM 0 HG23 THR A 96 -8.885 -9.628 -12.895 1.00 3.23 H new ATOM 1342 N THR A 97 -6.851 -10.196 -16.965 1.00 70.23 N ATOM 1343 CA THR A 97 -6.888 -11.239 -17.983 1.00 22.24 C ATOM 1344 C THR A 97 -5.735 -12.221 -17.805 1.00 74.13 C ATOM 1345 O THR A 97 -5.944 -13.432 -17.734 1.00 35.32 O ATOM 1346 CB THR A 97 -6.825 -10.643 -19.401 1.00 53.44 C ATOM 1347 OG1 THR A 97 -7.744 -9.550 -19.514 1.00 74.45 O ATOM 1348 CG2 THR A 97 -7.153 -11.698 -20.447 1.00 44.21 C ATOM 0 H THR A 97 -6.793 -9.247 -17.335 1.00 70.23 H new ATOM 0 HA THR A 97 -7.834 -11.767 -17.861 1.00 22.24 H new ATOM 0 HB THR A 97 -5.811 -10.284 -19.576 1.00 53.44 H new ATOM 0 HG1 THR A 97 -7.697 -9.175 -20.418 1.00 74.45 H new ATOM 0 HG21 THR A 97 -7.102 -11.253 -21.441 1.00 44.21 H new ATOM 0 HG22 THR A 97 -6.435 -12.515 -20.378 1.00 44.21 H new ATOM 0 HG23 THR A 97 -8.158 -12.083 -20.273 1.00 44.21 H new ATOM 1356 N TYR A 98 -4.519 -11.692 -17.734 1.00 51.24 N ATOM 1357 CA TYR A 98 -3.333 -12.523 -17.567 1.00 4.51 C ATOM 1358 C TYR A 98 -3.436 -13.371 -16.303 1.00 63.23 C ATOM 1359 O TYR A 98 -3.226 -14.585 -16.337 1.00 41.40 O ATOM 1360 CB TYR A 98 -2.078 -11.650 -17.508 1.00 23.03 C ATOM 1361 CG TYR A 98 -1.238 -11.711 -18.764 1.00 11.23 C ATOM 1362 CD1 TYR A 98 -1.187 -10.635 -19.641 1.00 53.25 C ATOM 1363 CD2 TYR A 98 -0.497 -12.844 -19.073 1.00 65.23 C ATOM 1364 CE1 TYR A 98 -0.422 -10.686 -20.791 1.00 12.04 C ATOM 1365 CE2 TYR A 98 0.272 -12.904 -20.219 1.00 45.43 C ATOM 1366 CZ TYR A 98 0.306 -11.822 -21.075 1.00 22.22 C ATOM 1367 OH TYR A 98 1.070 -11.878 -22.218 1.00 71.02 O ATOM 0 H TYR A 98 -4.329 -10.691 -17.789 1.00 51.24 H new ATOM 0 HA TYR A 98 -3.264 -13.190 -18.426 1.00 4.51 H new ATOM 0 HB2 TYR A 98 -2.373 -10.616 -17.328 1.00 23.03 H new ATOM 0 HB3 TYR A 98 -1.469 -11.960 -16.659 1.00 23.03 H new ATOM 0 HD1 TYR A 98 -1.755 -9.743 -19.420 1.00 53.25 H new ATOM 0 HD2 TYR A 98 -0.522 -13.693 -18.406 1.00 65.23 H new ATOM 0 HE1 TYR A 98 -0.395 -9.841 -21.463 1.00 12.04 H new ATOM 0 HE2 TYR A 98 0.843 -13.793 -20.444 1.00 45.43 H new ATOM 0 HH TYR A 98 1.520 -12.747 -22.268 1.00 71.02 H new ATOM 1377 N LEU A 99 -3.761 -12.725 -15.189 1.00 42.44 N ATOM 1378 CA LEU A 99 -3.893 -13.418 -13.913 1.00 33.31 C ATOM 1379 C LEU A 99 -4.856 -14.595 -14.030 1.00 74.32 C ATOM 1380 O LEU A 99 -4.602 -15.673 -13.494 1.00 65.34 O ATOM 1381 CB LEU A 99 -4.381 -12.451 -12.833 1.00 22.33 C ATOM 1382 CG LEU A 99 -4.666 -13.065 -11.462 1.00 35.14 C ATOM 1383 CD1 LEU A 99 -3.381 -13.206 -10.661 1.00 41.24 C ATOM 1384 CD2 LEU A 99 -5.681 -12.223 -10.701 1.00 62.32 C ATOM 0 H LEU A 99 -3.938 -11.722 -15.144 1.00 42.44 H new ATOM 0 HA LEU A 99 -2.912 -13.801 -13.633 1.00 33.31 H new ATOM 0 HB2 LEU A 99 -3.633 -11.668 -12.710 1.00 22.33 H new ATOM 0 HB3 LEU A 99 -5.291 -11.969 -13.189 1.00 22.33 H new ATOM 0 HG LEU A 99 -5.087 -14.059 -11.612 1.00 35.14 H new ATOM 0 HD11 LEU A 99 -3.605 -13.645 -9.689 1.00 41.24 H new ATOM 0 HD12 LEU A 99 -2.686 -13.851 -11.199 1.00 41.24 H new ATOM 0 HD13 LEU A 99 -2.930 -12.224 -10.521 1.00 41.24 H new ATOM 0 HD21 LEU A 99 -5.872 -12.675 -9.728 1.00 62.32 H new ATOM 0 HD22 LEU A 99 -5.288 -11.216 -10.563 1.00 62.32 H new ATOM 0 HD23 LEU A 99 -6.611 -12.175 -11.267 1.00 62.32 H new ATOM 1396 N GLU A 100 -5.962 -14.381 -14.736 1.00 52.52 N ATOM 1397 CA GLU A 100 -6.962 -15.425 -14.925 1.00 13.25 C ATOM 1398 C GLU A 100 -6.402 -16.570 -15.764 1.00 11.33 C ATOM 1399 O GLU A 100 -6.655 -17.741 -15.482 1.00 22.20 O ATOM 1400 CB GLU A 100 -8.212 -14.850 -15.595 1.00 62.23 C ATOM 1401 CG GLU A 100 -9.448 -15.716 -15.422 1.00 14.22 C ATOM 1402 CD GLU A 100 -10.669 -15.134 -16.108 1.00 41.11 C ATOM 1403 OE1 GLU A 100 -10.678 -15.080 -17.356 1.00 2.01 O ATOM 1404 OE2 GLU A 100 -11.614 -14.732 -15.398 1.00 74.33 O ATOM 0 H GLU A 100 -6.188 -13.494 -15.186 1.00 52.52 H new ATOM 0 HA GLU A 100 -7.232 -15.815 -13.944 1.00 13.25 H new ATOM 0 HB2 GLU A 100 -8.412 -13.860 -15.184 1.00 62.23 H new ATOM 0 HB3 GLU A 100 -8.016 -14.720 -16.659 1.00 62.23 H new ATOM 0 HG2 GLU A 100 -9.250 -16.710 -15.823 1.00 14.22 H new ATOM 0 HG3 GLU A 100 -9.656 -15.837 -14.359 1.00 14.22 H new ATOM 1411 N ARG A 101 -5.641 -16.221 -16.796 1.00 22.52 N ATOM 1412 CA ARG A 101 -5.046 -17.219 -17.677 1.00 51.24 C ATOM 1413 C ARG A 101 -4.137 -18.162 -16.896 1.00 24.24 C ATOM 1414 O ARG A 101 -4.326 -19.379 -16.910 1.00 1.31 O ATOM 1415 CB ARG A 101 -4.253 -16.536 -18.793 1.00 24.20 C ATOM 1416 CG ARG A 101 -4.732 -16.897 -20.190 1.00 5.04 C ATOM 1417 CD ARG A 101 -5.989 -16.128 -20.563 1.00 75.50 C ATOM 1418 NE ARG A 101 -5.874 -15.493 -21.873 1.00 11.12 N ATOM 1419 CZ ARG A 101 -6.814 -14.715 -22.398 1.00 34.23 C ATOM 1420 NH1 ARG A 101 -7.933 -14.478 -21.727 1.00 54.24 N ATOM 1421 NH2 ARG A 101 -6.636 -14.173 -23.595 1.00 40.54 N ATOM 0 H ARG A 101 -5.422 -15.256 -17.043 1.00 22.52 H new ATOM 0 HA ARG A 101 -5.853 -17.804 -18.119 1.00 51.24 H new ATOM 0 HB2 ARG A 101 -4.317 -15.456 -18.664 1.00 24.20 H new ATOM 0 HB3 ARG A 101 -3.201 -16.806 -18.698 1.00 24.20 H new ATOM 0 HG2 ARG A 101 -3.945 -16.682 -20.913 1.00 5.04 H new ATOM 0 HG3 ARG A 101 -4.930 -17.968 -20.243 1.00 5.04 H new ATOM 0 HD2 ARG A 101 -6.842 -16.806 -20.563 1.00 75.50 H new ATOM 0 HD3 ARG A 101 -6.186 -15.367 -19.808 1.00 75.50 H new ATOM 0 HE ARG A 101 -5.025 -15.656 -22.415 1.00 11.12 H new ATOM 0 HH11 ARG A 101 -8.073 -14.893 -20.806 1.00 54.24 H new ATOM 0 HH12 ARG A 101 -8.654 -13.880 -22.132 1.00 54.24 H new ATOM 0 HH21 ARG A 101 -5.776 -14.353 -24.114 1.00 40.54 H new ATOM 0 HH22 ARG A 101 -7.359 -13.576 -23.997 1.00 40.54 H new ATOM 1435 N LYS A 102 -3.148 -17.593 -16.214 1.00 71.12 N ATOM 1436 CA LYS A 102 -2.209 -18.381 -15.425 1.00 62.55 C ATOM 1437 C LYS A 102 -2.937 -19.174 -14.345 1.00 30.41 C ATOM 1438 O LYS A 102 -2.619 -20.337 -14.094 1.00 53.53 O ATOM 1439 CB LYS A 102 -1.159 -17.471 -14.785 1.00 0.24 C ATOM 1440 CG LYS A 102 -1.752 -16.390 -13.897 1.00 24.32 C ATOM 1441 CD LYS A 102 -0.679 -15.453 -13.368 1.00 52.31 C ATOM 1442 CE LYS A 102 0.257 -16.164 -12.403 1.00 34.12 C ATOM 1443 NZ LYS A 102 0.156 -15.611 -11.024 1.00 5.31 N ATOM 0 H LYS A 102 -2.976 -16.588 -16.192 1.00 71.12 H new ATOM 0 HA LYS A 102 -1.712 -19.084 -16.094 1.00 62.55 H new ATOM 0 HB2 LYS A 102 -0.474 -18.080 -14.195 1.00 0.24 H new ATOM 0 HB3 LYS A 102 -0.570 -17.000 -15.572 1.00 0.24 H new ATOM 0 HG2 LYS A 102 -2.490 -15.819 -14.461 1.00 24.32 H new ATOM 0 HG3 LYS A 102 -2.277 -16.852 -13.061 1.00 24.32 H new ATOM 0 HD2 LYS A 102 -0.105 -15.048 -14.202 1.00 52.31 H new ATOM 0 HD3 LYS A 102 -1.149 -14.608 -12.865 1.00 52.31 H new ATOM 0 HE2 LYS A 102 0.021 -17.228 -12.386 1.00 34.12 H new ATOM 0 HE3 LYS A 102 1.284 -16.071 -12.757 1.00 34.12 H new ATOM 0 HZ1 LYS A 102 0.809 -16.122 -10.396 1.00 5.31 H new ATOM 0 HZ2 LYS A 102 0.406 -14.601 -11.036 1.00 5.31 H new ATOM 0 HZ3 LYS A 102 -0.817 -15.723 -10.676 1.00 5.31 H new ATOM 1457 N ALA A 103 -3.916 -18.539 -13.709 1.00 42.31 N ATOM 1458 CA ALA A 103 -4.691 -19.186 -12.658 1.00 71.24 C ATOM 1459 C ALA A 103 -5.349 -20.463 -13.169 1.00 61.54 C ATOM 1460 O ALA A 103 -5.296 -21.504 -12.515 1.00 11.15 O ATOM 1461 CB ALA A 103 -5.742 -18.231 -12.113 1.00 11.31 C ATOM 0 H ALA A 103 -4.191 -17.576 -13.904 1.00 42.31 H new ATOM 0 HA ALA A 103 -4.009 -19.457 -11.852 1.00 71.24 H new ATOM 0 HB1 ALA A 103 -6.313 -18.728 -11.329 1.00 11.31 H new ATOM 0 HB2 ALA A 103 -5.253 -17.348 -11.702 1.00 11.31 H new ATOM 0 HB3 ALA A 103 -6.414 -17.932 -12.917 1.00 11.31 H new ATOM 1467 N GLU A 104 -5.969 -20.376 -14.342 1.00 63.22 N ATOM 1468 CA GLU A 104 -6.638 -21.526 -14.939 1.00 51.01 C ATOM 1469 C GLU A 104 -5.625 -22.582 -15.371 1.00 44.20 C ATOM 1470 O GLU A 104 -5.885 -23.781 -15.278 1.00 50.22 O ATOM 1471 CB GLU A 104 -7.478 -21.088 -16.141 1.00 11.13 C ATOM 1472 CG GLU A 104 -8.369 -22.187 -16.693 1.00 75.34 C ATOM 1473 CD GLU A 104 -9.661 -21.651 -17.281 1.00 23.54 C ATOM 1474 OE1 GLU A 104 -10.626 -21.459 -16.512 1.00 74.22 O ATOM 1475 OE2 GLU A 104 -9.706 -21.425 -18.508 1.00 10.33 O ATOM 0 H GLU A 104 -6.022 -19.522 -14.897 1.00 63.22 H new ATOM 0 HA GLU A 104 -7.294 -21.963 -14.186 1.00 51.01 H new ATOM 0 HB2 GLU A 104 -8.099 -20.240 -15.850 1.00 11.13 H new ATOM 0 HB3 GLU A 104 -6.813 -20.740 -16.931 1.00 11.13 H new ATOM 0 HG2 GLU A 104 -7.826 -22.738 -17.461 1.00 75.34 H new ATOM 0 HG3 GLU A 104 -8.602 -22.894 -15.897 1.00 75.34 H new ATOM 1482 N GLU A 105 -4.469 -22.126 -15.844 1.00 3.12 N ATOM 1483 CA GLU A 105 -3.417 -23.031 -16.291 1.00 61.23 C ATOM 1484 C GLU A 105 -2.961 -23.940 -15.154 1.00 23.14 C ATOM 1485 O GLU A 105 -2.984 -25.165 -15.276 1.00 73.13 O ATOM 1486 CB GLU A 105 -2.226 -22.237 -16.833 1.00 73.20 C ATOM 1487 CG GLU A 105 -1.056 -23.109 -17.258 1.00 53.51 C ATOM 1488 CD GLU A 105 -0.582 -22.803 -18.666 1.00 14.23 C ATOM 1489 OE1 GLU A 105 0.641 -22.868 -18.906 1.00 65.11 O ATOM 1490 OE2 GLU A 105 -1.434 -22.498 -19.526 1.00 73.22 O ATOM 0 H GLU A 105 -4.238 -21.136 -15.927 1.00 3.12 H new ATOM 0 HA GLU A 105 -3.823 -23.653 -17.089 1.00 61.23 H new ATOM 0 HB2 GLU A 105 -2.554 -21.643 -17.686 1.00 73.20 H new ATOM 0 HB3 GLU A 105 -1.888 -21.538 -16.068 1.00 73.20 H new ATOM 0 HG2 GLU A 105 -0.230 -22.967 -16.561 1.00 53.51 H new ATOM 0 HG3 GLU A 105 -1.348 -24.157 -17.197 1.00 53.51 H new ATOM 1497 N ILE A 106 -2.546 -23.331 -14.048 1.00 23.10 N ATOM 1498 CA ILE A 106 -2.085 -24.085 -12.889 1.00 3.45 C ATOM 1499 C ILE A 106 -3.213 -24.918 -12.290 1.00 51.41 C ATOM 1500 O ILE A 106 -2.988 -26.022 -11.795 1.00 52.35 O ATOM 1501 CB ILE A 106 -1.517 -23.153 -11.801 1.00 70.22 C ATOM 1502 CG1 ILE A 106 -1.009 -23.972 -10.612 1.00 40.54 C ATOM 1503 CG2 ILE A 106 -2.575 -22.157 -11.352 1.00 14.11 C ATOM 1504 CD1 ILE A 106 0.326 -23.500 -10.081 1.00 4.03 C ATOM 0 H ILE A 106 -2.520 -22.318 -13.930 1.00 23.10 H new ATOM 0 HA ILE A 106 -1.294 -24.748 -13.239 1.00 3.45 H new ATOM 0 HB ILE A 106 -0.678 -22.597 -12.220 1.00 70.22 H new ATOM 0 HG12 ILE A 106 -1.746 -23.929 -9.810 1.00 40.54 H new ATOM 0 HG13 ILE A 106 -0.924 -25.017 -10.911 1.00 40.54 H new ATOM 0 HG21 ILE A 106 -2.159 -21.506 -10.583 1.00 14.11 H new ATOM 0 HG22 ILE A 106 -2.893 -21.556 -12.204 1.00 14.11 H new ATOM 0 HG23 ILE A 106 -3.432 -22.695 -10.947 1.00 14.11 H new ATOM 0 HD11 ILE A 106 0.625 -24.125 -9.240 1.00 4.03 H new ATOM 0 HD12 ILE A 106 1.076 -23.569 -10.869 1.00 4.03 H new ATOM 0 HD13 ILE A 106 0.241 -22.465 -9.751 1.00 4.03 H new ATOM 1516 N ALA A 107 -4.428 -24.381 -12.341 1.00 30.25 N ATOM 1517 CA ALA A 107 -5.593 -25.077 -11.807 1.00 42.51 C ATOM 1518 C ALA A 107 -5.841 -26.384 -12.552 1.00 4.20 C ATOM 1519 O ALA A 107 -6.186 -27.398 -11.947 1.00 14.02 O ATOM 1520 CB ALA A 107 -6.822 -24.183 -11.883 1.00 4.51 C ATOM 0 H ALA A 107 -4.631 -23.467 -12.746 1.00 30.25 H new ATOM 0 HA ALA A 107 -5.395 -25.317 -10.762 1.00 42.51 H new ATOM 0 HB1 ALA A 107 -7.684 -24.715 -11.481 1.00 4.51 H new ATOM 0 HB2 ALA A 107 -6.650 -23.278 -11.300 1.00 4.51 H new ATOM 0 HB3 ALA A 107 -7.013 -23.915 -12.922 1.00 4.51 H new ATOM 1526 N ALA A 108 -5.662 -26.352 -13.869 1.00 30.34 N ATOM 1527 CA ALA A 108 -5.865 -27.535 -14.696 1.00 31.35 C ATOM 1528 C ALA A 108 -4.864 -28.630 -14.343 1.00 32.34 C ATOM 1529 O ALA A 108 -5.211 -29.810 -14.291 1.00 73.44 O ATOM 1530 CB ALA A 108 -5.757 -27.174 -16.169 1.00 41.25 C ATOM 0 H ALA A 108 -5.377 -25.520 -14.386 1.00 30.34 H new ATOM 0 HA ALA A 108 -6.867 -27.918 -14.500 1.00 31.35 H new ATOM 0 HB1 ALA A 108 -5.911 -28.067 -16.775 1.00 41.25 H new ATOM 0 HB2 ALA A 108 -6.515 -26.432 -16.418 1.00 41.25 H new ATOM 0 HB3 ALA A 108 -4.768 -26.764 -16.372 1.00 41.25 H new ATOM 1536 N LYS A 109 -3.620 -28.232 -14.100 1.00 61.22 N ATOM 1537 CA LYS A 109 -2.567 -29.179 -13.751 1.00 74.03 C ATOM 1538 C LYS A 109 -2.805 -29.771 -12.366 1.00 13.33 C ATOM 1539 O LYS A 109 -2.774 -30.988 -12.185 1.00 65.22 O ATOM 1540 CB LYS A 109 -1.200 -28.493 -13.797 1.00 12.13 C ATOM 1541 CG LYS A 109 -0.836 -27.952 -15.169 1.00 34.04 C ATOM 1542 CD LYS A 109 0.638 -28.157 -15.476 1.00 35.11 C ATOM 1543 CE LYS A 109 1.492 -27.052 -14.873 1.00 74.32 C ATOM 1544 NZ LYS A 109 1.247 -25.740 -15.533 1.00 13.34 N ATOM 0 H LYS A 109 -3.316 -27.259 -14.138 1.00 61.22 H new ATOM 0 HA LYS A 109 -2.585 -29.989 -14.480 1.00 74.03 H new ATOM 0 HB2 LYS A 109 -1.190 -27.674 -13.078 1.00 12.13 H new ATOM 0 HB3 LYS A 109 -0.436 -29.203 -13.481 1.00 12.13 H new ATOM 0 HG2 LYS A 109 -1.439 -28.449 -15.929 1.00 34.04 H new ATOM 0 HG3 LYS A 109 -1.074 -26.889 -15.217 1.00 34.04 H new ATOM 0 HD2 LYS A 109 0.961 -29.122 -15.086 1.00 35.11 H new ATOM 0 HD3 LYS A 109 0.786 -28.184 -16.556 1.00 35.11 H new ATOM 0 HE2 LYS A 109 1.278 -26.968 -13.807 1.00 74.32 H new ATOM 0 HE3 LYS A 109 2.546 -27.315 -14.967 1.00 74.32 H new ATOM 0 HZ1 LYS A 109 2.065 -25.116 -15.380 1.00 13.34 H new ATOM 0 HZ2 LYS A 109 1.108 -25.885 -16.553 1.00 13.34 H new ATOM 0 HZ3 LYS A 109 0.396 -25.301 -15.127 1.00 13.34 H new ATOM 1558 N LYS A 110 -3.045 -28.902 -11.390 1.00 11.25 N ATOM 1559 CA LYS A 110 -3.291 -29.338 -10.020 1.00 55.41 C ATOM 1560 C LYS A 110 -4.747 -29.756 -9.836 1.00 2.54 C ATOM 1561 O LYS A 110 -5.053 -30.943 -9.726 1.00 64.24 O ATOM 1562 CB LYS A 110 -2.943 -28.218 -9.036 1.00 64.44 C ATOM 1563 CG LYS A 110 -1.617 -28.425 -8.325 1.00 23.31 C ATOM 1564 CD LYS A 110 -0.592 -27.382 -8.740 1.00 35.41 C ATOM 1565 CE LYS A 110 0.242 -27.859 -9.919 1.00 11.11 C ATOM 1566 NZ LYS A 110 1.360 -28.742 -9.486 1.00 45.42 N ATOM 0 H LYS A 110 -3.074 -27.891 -11.522 1.00 11.25 H new ATOM 0 HA LYS A 110 -2.655 -30.200 -9.820 1.00 55.41 H new ATOM 0 HB2 LYS A 110 -2.914 -27.270 -9.573 1.00 64.44 H new ATOM 0 HB3 LYS A 110 -3.736 -28.139 -8.293 1.00 64.44 H new ATOM 0 HG2 LYS A 110 -1.770 -28.377 -7.247 1.00 23.31 H new ATOM 0 HG3 LYS A 110 -1.235 -29.421 -8.549 1.00 23.31 H new ATOM 0 HD2 LYS A 110 -1.101 -26.455 -9.004 1.00 35.41 H new ATOM 0 HD3 LYS A 110 0.062 -27.158 -7.897 1.00 35.41 H new ATOM 0 HE2 LYS A 110 -0.395 -28.397 -10.620 1.00 11.11 H new ATOM 0 HE3 LYS A 110 0.645 -26.997 -10.451 1.00 11.11 H new ATOM 0 HZ1 LYS A 110 1.905 -29.046 -10.318 1.00 45.42 H new ATOM 0 HZ2 LYS A 110 1.983 -28.221 -8.836 1.00 45.42 H new ATOM 0 HZ3 LYS A 110 0.975 -29.577 -9.001 1.00 45.42 H new