USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 797 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 27 HIS :FLIP no HD1:sc= -6.87! C(o=-20!,f=-16!) USER MOD Set 1.2: A 106 MET CE :methyl 169:sc= -8.75! (180deg=-7.92!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.848 USER MOD Single : A 8 LYS NZ :NH3+ -141:sc= -0.983 (180deg=-2.76!) USER MOD Single : A 13 THR OG1 : rot 106:sc= 1.03 USER MOD Single : A 19 CYS SG : rot 94:sc= -0.88 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -56:sc= -0.926! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -60:sc= -2.47 USER MOD Single : A 37 SER OG : rot -9:sc= 0.305! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc=-0.00273 X(o=-0.0027,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 139:sc= -3.49! (180deg=-5.87!) USER MOD Single : A 56 SER OG : rot -108:sc= 0.999 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -3.74! C(o=-3.7!,f=-5.8!) USER MOD Single : A 70 ASN :FLIP amide:sc= -14.3! C(o=-16!,f=-14!) USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0572) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 120:sc= -0.735 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 155:sc= -0.11 (180deg=-0.809) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 2 5.019 -3.146 -0.191 1.00 73.30 N ATOM 30 CA ALA A 2 6.176 -3.609 0.556 1.00 34.05 C ATOM 31 C ALA A 2 6.440 -5.078 0.221 1.00 62.04 C ATOM 32 O ALA A 2 7.591 -5.510 0.171 1.00 50.40 O ATOM 33 CB ALA A 2 5.940 -3.386 2.052 1.00 61.13 C ATOM 0 HA ALA A 2 7.064 -3.042 0.277 1.00 34.05 H new ATOM 0 HB1 ALA A 2 6.808 -3.733 2.613 1.00 61.13 H new ATOM 0 HB2 ALA A 2 5.787 -2.324 2.242 1.00 61.13 H new ATOM 0 HB3 ALA A 2 5.057 -3.942 2.368 1.00 61.13 H new ATOM 39 N PHE A 3 5.356 -5.806 -0.001 1.00 54.24 N ATOM 40 CA PHE A 3 5.456 -7.217 -0.331 1.00 70.33 C ATOM 41 C PHE A 3 6.017 -7.412 -1.741 1.00 72.44 C ATOM 42 O PHE A 3 6.277 -8.540 -2.159 1.00 42.43 O ATOM 43 CB PHE A 3 4.039 -7.792 -0.275 1.00 1.32 C ATOM 44 CG PHE A 3 3.657 -8.374 1.088 1.00 44.41 C ATOM 45 CD1 PHE A 3 4.250 -9.515 1.530 1.00 4.12 C ATOM 46 CD2 PHE A 3 2.725 -7.750 1.857 1.00 42.32 C ATOM 47 CE1 PHE A 3 3.896 -10.055 2.795 1.00 42.13 C ATOM 48 CE2 PHE A 3 2.371 -8.290 3.121 1.00 11.24 C ATOM 49 CZ PHE A 3 2.964 -9.431 3.564 1.00 71.14 C ATOM 0 H PHE A 3 4.403 -5.445 0.041 1.00 54.24 H new ATOM 0 HA PHE A 3 6.125 -7.716 0.370 1.00 70.33 H new ATOM 0 HB2 PHE A 3 3.329 -7.007 -0.535 1.00 1.32 H new ATOM 0 HB3 PHE A 3 3.944 -8.571 -1.031 1.00 1.32 H new ATOM 0 HD1 PHE A 3 4.990 -10.011 0.919 1.00 4.12 H new ATOM 0 HD2 PHE A 3 2.254 -6.844 1.506 1.00 42.32 H new ATOM 0 HE1 PHE A 3 4.367 -10.961 3.146 1.00 42.13 H new ATOM 0 HE2 PHE A 3 1.630 -7.795 3.731 1.00 11.24 H new ATOM 0 HZ PHE A 3 2.695 -9.841 4.526 1.00 71.14 H new ATOM 59 N ALA A 4 6.186 -6.297 -2.436 1.00 2.11 N ATOM 60 CA ALA A 4 6.711 -6.331 -3.790 1.00 43.03 C ATOM 61 C ALA A 4 8.125 -6.917 -3.770 1.00 53.41 C ATOM 62 O ALA A 4 8.660 -7.292 -4.812 1.00 51.10 O ATOM 63 CB ALA A 4 6.672 -4.923 -4.389 1.00 31.52 C ATOM 0 H ALA A 4 5.968 -5.364 -2.086 1.00 2.11 H new ATOM 0 HA ALA A 4 6.097 -6.972 -4.423 1.00 43.03 H new ATOM 0 HB1 ALA A 4 7.066 -4.949 -5.405 1.00 31.52 H new ATOM 0 HB2 ALA A 4 5.643 -4.564 -4.408 1.00 31.52 H new ATOM 0 HB3 ALA A 4 7.279 -4.252 -3.781 1.00 31.52 H new ATOM 69 N SER A 5 8.689 -6.976 -2.573 1.00 31.42 N ATOM 70 CA SER A 5 10.030 -7.510 -2.403 1.00 52.12 C ATOM 71 C SER A 5 9.960 -8.989 -2.018 1.00 74.15 C ATOM 72 O SER A 5 10.641 -9.822 -2.614 1.00 24.13 O ATOM 73 CB SER A 5 10.806 -6.723 -1.346 1.00 10.34 C ATOM 74 OG SER A 5 9.946 -6.171 -0.352 1.00 74.14 O ATOM 0 H SER A 5 8.242 -6.663 -1.711 1.00 31.42 H new ATOM 0 HA SER A 5 10.559 -7.413 -3.351 1.00 52.12 H new ATOM 0 HB2 SER A 5 11.536 -7.378 -0.870 1.00 10.34 H new ATOM 0 HB3 SER A 5 11.364 -5.921 -1.829 1.00 10.34 H new ATOM 0 HG SER A 5 10.480 -5.677 0.305 1.00 74.14 H new ATOM 80 N VAL A 6 9.129 -9.271 -1.025 1.00 52.55 N ATOM 81 CA VAL A 6 8.961 -10.635 -0.554 1.00 54.33 C ATOM 82 C VAL A 6 8.362 -11.487 -1.675 1.00 44.25 C ATOM 83 O VAL A 6 8.994 -12.431 -2.147 1.00 20.34 O ATOM 84 CB VAL A 6 8.116 -10.647 0.722 1.00 63.34 C ATOM 85 CG1 VAL A 6 8.265 -11.977 1.464 1.00 14.21 C ATOM 86 CG2 VAL A 6 8.476 -9.469 1.629 1.00 64.20 C ATOM 0 H VAL A 6 8.565 -8.578 -0.534 1.00 52.55 H new ATOM 0 HA VAL A 6 9.926 -11.071 -0.294 1.00 54.33 H new ATOM 0 HB VAL A 6 7.070 -10.539 0.434 1.00 63.34 H new ATOM 0 HG11 VAL A 6 7.655 -11.960 2.367 1.00 14.21 H new ATOM 0 HG12 VAL A 6 7.937 -12.792 0.819 1.00 14.21 H new ATOM 0 HG13 VAL A 6 9.310 -12.127 1.735 1.00 14.21 H new ATOM 0 HG21 VAL A 6 7.861 -9.501 2.528 1.00 64.20 H new ATOM 0 HG22 VAL A 6 9.528 -9.532 1.906 1.00 64.20 H new ATOM 0 HG23 VAL A 6 8.295 -8.534 1.099 1.00 64.20 H new ATOM 96 N LEU A 7 7.151 -11.122 -2.070 1.00 63.53 N ATOM 97 CA LEU A 7 6.461 -11.842 -3.127 1.00 52.32 C ATOM 98 C LEU A 7 6.381 -10.956 -4.373 1.00 32.54 C ATOM 99 O LEU A 7 6.772 -9.791 -4.336 1.00 14.30 O ATOM 100 CB LEU A 7 5.099 -12.338 -2.637 1.00 0.43 C ATOM 101 CG LEU A 7 5.075 -12.956 -1.237 1.00 54.33 C ATOM 102 CD1 LEU A 7 3.717 -12.738 -0.566 1.00 23.54 C ATOM 103 CD2 LEU A 7 5.460 -14.436 -1.285 1.00 3.53 C ATOM 0 H LEU A 7 6.630 -10.338 -1.677 1.00 63.53 H new ATOM 0 HA LEU A 7 7.018 -12.736 -3.406 1.00 52.32 H new ATOM 0 HB2 LEU A 7 4.401 -11.501 -2.655 1.00 0.43 H new ATOM 0 HB3 LEU A 7 4.727 -13.078 -3.346 1.00 0.43 H new ATOM 0 HG LEU A 7 5.822 -12.449 -0.626 1.00 54.33 H new ATOM 0 HD11 LEU A 7 3.726 -13.186 0.427 1.00 23.54 H new ATOM 0 HD12 LEU A 7 3.521 -11.669 -0.480 1.00 23.54 H new ATOM 0 HD13 LEU A 7 2.935 -13.203 -1.167 1.00 23.54 H new ATOM 0 HD21 LEU A 7 5.435 -14.851 -0.278 1.00 3.53 H new ATOM 0 HD22 LEU A 7 4.754 -14.975 -1.917 1.00 3.53 H new ATOM 0 HD23 LEU A 7 6.465 -14.537 -1.695 1.00 3.53 H new ATOM 115 N LYS A 8 5.872 -11.544 -5.445 1.00 72.04 N ATOM 116 CA LYS A 8 5.736 -10.823 -6.700 1.00 35.23 C ATOM 117 C LYS A 8 4.396 -10.085 -6.716 1.00 15.13 C ATOM 118 O LYS A 8 3.361 -10.662 -6.387 1.00 34.45 O ATOM 119 CB LYS A 8 5.930 -11.770 -7.886 1.00 22.13 C ATOM 120 CG LYS A 8 6.920 -12.885 -7.541 1.00 2.52 C ATOM 121 CD LYS A 8 7.627 -13.398 -8.797 1.00 32.32 C ATOM 122 CE LYS A 8 8.743 -12.444 -9.227 1.00 73.12 C ATOM 123 NZ LYS A 8 8.218 -11.419 -10.157 1.00 64.44 N ATOM 0 H LYS A 8 5.549 -12.511 -5.471 1.00 72.04 H new ATOM 0 HA LYS A 8 6.518 -10.069 -6.793 1.00 35.23 H new ATOM 0 HB2 LYS A 8 4.971 -12.205 -8.169 1.00 22.13 H new ATOM 0 HB3 LYS A 8 6.293 -11.210 -8.748 1.00 22.13 H new ATOM 0 HG2 LYS A 8 7.658 -12.514 -6.830 1.00 2.52 H new ATOM 0 HG3 LYS A 8 6.393 -13.706 -7.055 1.00 2.52 H new ATOM 0 HD2 LYS A 8 8.043 -14.387 -8.606 1.00 32.32 H new ATOM 0 HD3 LYS A 8 6.905 -13.507 -9.606 1.00 32.32 H new ATOM 0 HE2 LYS A 8 9.175 -11.961 -8.350 1.00 73.12 H new ATOM 0 HE3 LYS A 8 9.544 -13.005 -9.709 1.00 73.12 H new ATOM 0 HZ1 LYS A 8 8.919 -11.236 -10.903 1.00 64.44 H new ATOM 0 HZ2 LYS A 8 7.335 -11.760 -10.587 1.00 64.44 H new ATOM 0 HZ3 LYS A 8 8.031 -10.539 -9.635 1.00 64.44 H new ATOM 136 N ASP A 9 4.458 -8.819 -7.102 1.00 23.11 N ATOM 137 CA ASP A 9 3.263 -7.996 -7.165 1.00 54.22 C ATOM 138 C ASP A 9 2.203 -8.707 -8.010 1.00 44.51 C ATOM 139 O ASP A 9 1.015 -8.653 -7.696 1.00 43.12 O ATOM 140 CB ASP A 9 3.559 -6.644 -7.817 1.00 53.14 C ATOM 141 CG ASP A 9 4.541 -5.757 -7.050 1.00 23.10 C ATOM 142 OD1 ASP A 9 4.269 -5.335 -5.916 1.00 64.11 O ATOM 143 OD2 ASP A 9 5.642 -5.498 -7.671 1.00 54.04 O ATOM 0 H ASP A 9 5.318 -8.343 -7.374 1.00 23.11 H new ATOM 0 HA ASP A 9 2.910 -7.835 -6.146 1.00 54.22 H new ATOM 0 HB2 ASP A 9 3.956 -6.819 -8.817 1.00 53.14 H new ATOM 0 HB3 ASP A 9 2.621 -6.102 -7.937 1.00 53.14 H new ATOM 149 N ALA A 10 2.672 -9.356 -9.065 1.00 42.15 N ATOM 150 CA ALA A 10 1.780 -10.076 -9.958 1.00 21.41 C ATOM 151 C ALA A 10 1.172 -11.267 -9.213 1.00 5.41 C ATOM 152 O ALA A 10 -0.011 -11.563 -9.370 1.00 21.22 O ATOM 153 CB ALA A 10 2.547 -10.503 -11.211 1.00 52.14 C ATOM 0 H ALA A 10 3.658 -9.398 -9.322 1.00 42.15 H new ATOM 0 HA ALA A 10 0.960 -9.434 -10.280 1.00 21.41 H new ATOM 0 HB1 ALA A 10 1.878 -11.043 -11.881 1.00 52.14 H new ATOM 0 HB2 ALA A 10 2.934 -9.620 -11.719 1.00 52.14 H new ATOM 0 HB3 ALA A 10 3.376 -11.151 -10.927 1.00 52.14 H new ATOM 159 N GLU A 11 2.010 -11.916 -8.418 1.00 71.41 N ATOM 160 CA GLU A 11 1.570 -13.068 -7.648 1.00 41.34 C ATOM 161 C GLU A 11 0.523 -12.647 -6.615 1.00 42.21 C ATOM 162 O GLU A 11 -0.615 -13.111 -6.655 1.00 31.21 O ATOM 163 CB GLU A 11 2.755 -13.763 -6.976 1.00 5.01 C ATOM 164 CG GLU A 11 3.453 -14.719 -7.946 1.00 34.12 C ATOM 165 CD GLU A 11 2.668 -16.025 -8.088 1.00 13.23 C ATOM 166 OE1 GLU A 11 1.490 -16.001 -8.474 1.00 35.13 O ATOM 167 OE2 GLU A 11 3.325 -17.092 -7.782 1.00 12.01 O ATOM 0 H GLU A 11 2.991 -11.667 -8.290 1.00 71.41 H new ATOM 0 HA GLU A 11 1.111 -13.783 -8.331 1.00 41.34 H new ATOM 0 HB2 GLU A 11 3.466 -13.016 -6.621 1.00 5.01 H new ATOM 0 HB3 GLU A 11 2.409 -14.315 -6.102 1.00 5.01 H new ATOM 0 HG2 GLU A 11 3.554 -14.243 -8.922 1.00 34.12 H new ATOM 0 HG3 GLU A 11 4.461 -14.933 -7.590 1.00 34.12 H new ATOM 175 N VAL A 12 0.946 -11.772 -5.714 1.00 73.21 N ATOM 176 CA VAL A 12 0.059 -11.284 -4.672 1.00 13.50 C ATOM 177 C VAL A 12 -1.182 -10.661 -5.315 1.00 51.10 C ATOM 178 O VAL A 12 -2.282 -10.758 -4.773 1.00 22.33 O ATOM 179 CB VAL A 12 0.810 -10.313 -3.758 1.00 54.34 C ATOM 180 CG1 VAL A 12 2.121 -10.927 -3.266 1.00 5.12 C ATOM 181 CG2 VAL A 12 1.060 -8.978 -4.464 1.00 34.22 C ATOM 0 H VAL A 12 1.891 -11.389 -5.684 1.00 73.21 H new ATOM 0 HA VAL A 12 -0.279 -12.107 -4.042 1.00 13.50 H new ATOM 0 HB VAL A 12 0.184 -10.119 -2.887 1.00 54.34 H new ATOM 0 HG11 VAL A 12 2.635 -10.217 -2.619 1.00 5.12 H new ATOM 0 HG12 VAL A 12 1.909 -11.839 -2.708 1.00 5.12 H new ATOM 0 HG13 VAL A 12 2.755 -11.164 -4.120 1.00 5.12 H new ATOM 0 HG21 VAL A 12 1.595 -8.306 -3.793 1.00 34.22 H new ATOM 0 HG22 VAL A 12 1.657 -9.147 -5.360 1.00 34.22 H new ATOM 0 HG23 VAL A 12 0.106 -8.529 -4.742 1.00 34.22 H new ATOM 191 N THR A 13 -0.964 -10.035 -6.462 1.00 41.30 N ATOM 192 CA THR A 13 -2.051 -9.396 -7.185 1.00 22.23 C ATOM 193 C THR A 13 -3.220 -10.368 -7.357 1.00 63.05 C ATOM 194 O THR A 13 -4.374 -9.999 -7.149 1.00 34.23 O ATOM 195 CB THR A 13 -1.494 -8.873 -8.510 1.00 72.34 C ATOM 196 OG1 THR A 13 -1.065 -7.548 -8.209 1.00 34.44 O ATOM 197 CG2 THR A 13 -2.583 -8.681 -9.568 1.00 14.34 C ATOM 0 H THR A 13 -0.050 -9.956 -6.909 1.00 41.30 H new ATOM 0 HA THR A 13 -2.453 -8.549 -6.629 1.00 22.23 H new ATOM 0 HB THR A 13 -0.741 -9.566 -8.885 1.00 72.34 H new ATOM 0 HG1 THR A 13 -0.086 -7.523 -8.166 1.00 34.44 H new ATOM 0 HG21 THR A 13 -2.134 -8.308 -10.489 1.00 14.34 H new ATOM 0 HG22 THR A 13 -3.073 -9.635 -9.763 1.00 14.34 H new ATOM 0 HG23 THR A 13 -3.319 -7.963 -9.207 1.00 14.34 H new ATOM 205 N ALA A 14 -2.880 -11.591 -7.737 1.00 44.11 N ATOM 206 CA ALA A 14 -3.886 -12.619 -7.940 1.00 55.34 C ATOM 207 C ALA A 14 -4.670 -12.822 -6.642 1.00 72.53 C ATOM 208 O ALA A 14 -5.841 -13.199 -6.672 1.00 41.13 O ATOM 209 CB ALA A 14 -3.213 -13.905 -8.423 1.00 11.01 C ATOM 0 H ALA A 14 -1.921 -11.893 -7.910 1.00 44.11 H new ATOM 0 HA ALA A 14 -4.596 -12.315 -8.710 1.00 55.34 H new ATOM 0 HB1 ALA A 14 -3.968 -14.676 -8.575 1.00 11.01 H new ATOM 0 HB2 ALA A 14 -2.695 -13.714 -9.363 1.00 11.01 H new ATOM 0 HB3 ALA A 14 -2.495 -14.243 -7.676 1.00 11.01 H new ATOM 215 N ALA A 15 -3.993 -12.565 -5.533 1.00 51.20 N ATOM 216 CA ALA A 15 -4.611 -12.715 -4.227 1.00 34.33 C ATOM 217 C ALA A 15 -5.493 -11.498 -3.941 1.00 52.14 C ATOM 218 O ALA A 15 -6.397 -11.563 -3.110 1.00 74.11 O ATOM 219 CB ALA A 15 -3.525 -12.910 -3.167 1.00 11.41 C ATOM 0 H ALA A 15 -3.022 -12.254 -5.512 1.00 51.20 H new ATOM 0 HA ALA A 15 -5.250 -13.598 -4.205 1.00 34.33 H new ATOM 0 HB1 ALA A 15 -3.989 -13.023 -2.187 1.00 11.41 H new ATOM 0 HB2 ALA A 15 -2.946 -13.804 -3.399 1.00 11.41 H new ATOM 0 HB3 ALA A 15 -2.865 -12.043 -3.158 1.00 11.41 H new ATOM 225 N LEU A 16 -5.199 -10.416 -4.647 1.00 0.21 N ATOM 226 CA LEU A 16 -5.954 -9.185 -4.480 1.00 22.41 C ATOM 227 C LEU A 16 -7.191 -9.225 -5.380 1.00 4.23 C ATOM 228 O LEU A 16 -8.224 -8.647 -5.046 1.00 42.44 O ATOM 229 CB LEU A 16 -5.057 -7.970 -4.721 1.00 3.44 C ATOM 230 CG LEU A 16 -4.107 -7.600 -3.579 1.00 61.42 C ATOM 231 CD1 LEU A 16 -2.856 -6.898 -4.112 1.00 34.50 C ATOM 232 CD2 LEU A 16 -4.825 -6.765 -2.517 1.00 43.13 C ATOM 0 H LEU A 16 -4.448 -10.366 -5.336 1.00 0.21 H new ATOM 0 HA LEU A 16 -6.309 -9.091 -3.454 1.00 22.41 H new ATOM 0 HB2 LEU A 16 -4.463 -8.154 -5.616 1.00 3.44 H new ATOM 0 HB3 LEU A 16 -5.693 -7.110 -4.931 1.00 3.44 H new ATOM 0 HG LEU A 16 -3.778 -8.520 -3.096 1.00 61.42 H new ATOM 0 HD11 LEU A 16 -2.198 -6.646 -3.280 1.00 34.50 H new ATOM 0 HD12 LEU A 16 -2.332 -7.561 -4.801 1.00 34.50 H new ATOM 0 HD13 LEU A 16 -3.145 -5.986 -4.635 1.00 34.50 H new ATOM 0 HD21 LEU A 16 -4.128 -6.516 -1.717 1.00 43.13 H new ATOM 0 HD22 LEU A 16 -5.202 -5.847 -2.969 1.00 43.13 H new ATOM 0 HD23 LEU A 16 -5.658 -7.336 -2.107 1.00 43.13 H new ATOM 244 N ASP A 17 -7.044 -9.913 -6.503 1.00 14.44 N ATOM 245 CA ASP A 17 -8.137 -10.035 -7.453 1.00 22.11 C ATOM 246 C ASP A 17 -9.068 -11.165 -7.010 1.00 33.03 C ATOM 247 O ASP A 17 -10.263 -11.139 -7.301 1.00 31.44 O ATOM 248 CB ASP A 17 -7.615 -10.373 -8.851 1.00 33.11 C ATOM 249 CG ASP A 17 -8.581 -10.058 -9.995 1.00 50.10 C ATOM 250 OD1 ASP A 17 -9.210 -10.961 -10.567 1.00 13.53 O ATOM 251 OD2 ASP A 17 -8.676 -8.808 -10.299 1.00 52.22 O ATOM 0 H ASP A 17 -6.185 -10.391 -6.776 1.00 14.44 H new ATOM 0 HA ASP A 17 -8.665 -9.082 -7.485 1.00 22.11 H new ATOM 0 HB2 ASP A 17 -6.687 -9.826 -9.018 1.00 33.11 H new ATOM 0 HB3 ASP A 17 -7.370 -11.435 -8.884 1.00 33.11 H new ATOM 257 N GLY A 18 -8.486 -12.130 -6.313 1.00 40.11 N ATOM 258 CA GLY A 18 -9.249 -13.267 -5.827 1.00 0.01 C ATOM 259 C GLY A 18 -10.119 -12.873 -4.632 1.00 11.33 C ATOM 260 O GLY A 18 -10.984 -13.639 -4.209 1.00 43.12 O ATOM 0 H GLY A 18 -7.495 -12.148 -6.073 1.00 40.11 H new ATOM 0 HA2 GLY A 18 -9.879 -13.656 -6.627 1.00 0.01 H new ATOM 0 HA3 GLY A 18 -8.569 -14.069 -5.538 1.00 0.01 H new ATOM 264 N CYS A 19 -9.860 -11.678 -4.120 1.00 71.24 N ATOM 265 CA CYS A 19 -10.609 -11.173 -2.982 1.00 41.02 C ATOM 266 C CYS A 19 -11.179 -9.802 -3.352 1.00 65.12 C ATOM 267 O CYS A 19 -11.457 -8.985 -2.476 1.00 54.12 O ATOM 268 CB CYS A 19 -9.746 -11.111 -1.720 1.00 51.12 C ATOM 269 SG CYS A 19 -9.009 -12.752 -1.385 1.00 3.22 S ATOM 0 H CYS A 19 -9.142 -11.045 -4.473 1.00 71.24 H new ATOM 0 HA CYS A 19 -11.427 -11.855 -2.750 1.00 41.02 H new ATOM 0 HB2 CYS A 19 -8.958 -10.368 -1.844 1.00 51.12 H new ATOM 0 HB3 CYS A 19 -10.351 -10.795 -0.871 1.00 51.12 H new ATOM 0 HG CYS A 19 -7.825 -12.813 -1.919 1.00 3.22 H new ATOM 275 N LYS A 20 -11.334 -9.593 -4.651 1.00 55.51 N ATOM 276 CA LYS A 20 -11.866 -8.335 -5.148 1.00 1.43 C ATOM 277 C LYS A 20 -13.370 -8.277 -4.873 1.00 21.34 C ATOM 278 O LYS A 20 -13.953 -7.196 -4.813 1.00 2.23 O ATOM 279 CB LYS A 20 -11.503 -8.144 -6.622 1.00 24.23 C ATOM 280 CG LYS A 20 -11.287 -6.665 -6.947 1.00 12.45 C ATOM 281 CD LYS A 20 -11.632 -6.368 -8.407 1.00 62.25 C ATOM 282 CE LYS A 20 -13.132 -6.119 -8.577 1.00 43.42 C ATOM 283 NZ LYS A 20 -13.535 -6.322 -9.987 1.00 4.22 N ATOM 0 H LYS A 20 -11.101 -10.273 -5.374 1.00 55.51 H new ATOM 0 HA LYS A 20 -11.413 -7.496 -4.621 1.00 1.43 H new ATOM 0 HB2 LYS A 20 -10.598 -8.707 -6.853 1.00 24.23 H new ATOM 0 HB3 LYS A 20 -12.298 -8.546 -7.251 1.00 24.23 H new ATOM 0 HG2 LYS A 20 -11.905 -6.051 -6.292 1.00 12.45 H new ATOM 0 HG3 LYS A 20 -10.249 -6.394 -6.753 1.00 12.45 H new ATOM 0 HD2 LYS A 20 -11.074 -5.495 -8.746 1.00 62.25 H new ATOM 0 HD3 LYS A 20 -11.325 -7.205 -9.034 1.00 62.25 H new ATOM 0 HE2 LYS A 20 -13.694 -6.794 -7.931 1.00 43.42 H new ATOM 0 HE3 LYS A 20 -13.376 -5.103 -8.266 1.00 43.42 H new ATOM 0 HZ1 LYS A 20 -14.556 -6.149 -10.085 1.00 4.22 H new ATOM 0 HZ2 LYS A 20 -13.012 -5.661 -10.596 1.00 4.22 H new ATOM 0 HZ3 LYS A 20 -13.321 -7.299 -10.272 1.00 4.22 H new ATOM 296 N ALA A 21 -13.955 -9.455 -4.713 1.00 31.13 N ATOM 297 CA ALA A 21 -15.380 -9.553 -4.445 1.00 51.34 C ATOM 298 C ALA A 21 -15.625 -9.389 -2.944 1.00 53.21 C ATOM 299 O ALA A 21 -14.867 -9.909 -2.127 1.00 40.02 O ATOM 300 CB ALA A 21 -15.910 -10.884 -4.981 1.00 31.32 C ATOM 0 H ALA A 21 -13.468 -10.350 -4.764 1.00 31.13 H new ATOM 0 HA ALA A 21 -15.922 -8.757 -4.956 1.00 51.34 H new ATOM 0 HB1 ALA A 21 -16.979 -10.958 -4.780 1.00 31.32 H new ATOM 0 HB2 ALA A 21 -15.738 -10.938 -6.056 1.00 31.32 H new ATOM 0 HB3 ALA A 21 -15.391 -11.707 -4.489 1.00 31.32 H new ATOM 306 N ALA A 22 -16.688 -8.664 -2.626 1.00 44.32 N ATOM 307 CA ALA A 22 -17.042 -8.425 -1.237 1.00 53.35 C ATOM 308 C ALA A 22 -17.550 -9.726 -0.614 1.00 74.32 C ATOM 309 O ALA A 22 -18.285 -10.479 -1.252 1.00 64.13 O ATOM 310 CB ALA A 22 -18.076 -7.299 -1.161 1.00 22.22 C ATOM 0 H ALA A 22 -17.315 -8.235 -3.306 1.00 44.32 H new ATOM 0 HA ALA A 22 -16.169 -8.106 -0.667 1.00 53.35 H new ATOM 0 HB1 ALA A 22 -18.342 -7.119 -0.119 1.00 22.22 H new ATOM 0 HB2 ALA A 22 -17.656 -6.390 -1.590 1.00 22.22 H new ATOM 0 HB3 ALA A 22 -18.967 -7.585 -1.719 1.00 22.22 H new ATOM 316 N GLY A 23 -17.139 -9.951 0.625 1.00 34.41 N ATOM 317 CA GLY A 23 -17.544 -11.149 1.342 1.00 62.02 C ATOM 318 C GLY A 23 -17.046 -12.408 0.630 1.00 71.53 C ATOM 319 O GLY A 23 -17.552 -13.503 0.871 1.00 75.33 O ATOM 0 H GLY A 23 -16.530 -9.324 1.151 1.00 34.41 H new ATOM 0 HA2 GLY A 23 -17.149 -11.121 2.357 1.00 62.02 H new ATOM 0 HA3 GLY A 23 -18.631 -11.179 1.424 1.00 62.02 H new ATOM 323 N SER A 24 -16.060 -12.211 -0.233 1.00 73.32 N ATOM 324 CA SER A 24 -15.489 -13.318 -0.982 1.00 4.40 C ATOM 325 C SER A 24 -14.054 -13.578 -0.517 1.00 34.40 C ATOM 326 O SER A 24 -13.523 -14.670 -0.715 1.00 2.13 O ATOM 327 CB SER A 24 -15.516 -13.037 -2.486 1.00 33.42 C ATOM 328 OG SER A 24 -14.338 -12.367 -2.926 1.00 14.23 O ATOM 0 H SER A 24 -15.642 -11.302 -0.430 1.00 73.32 H new ATOM 0 HA SER A 24 -16.093 -14.206 -0.794 1.00 4.40 H new ATOM 0 HB2 SER A 24 -15.622 -13.977 -3.028 1.00 33.42 H new ATOM 0 HB3 SER A 24 -16.389 -12.430 -2.726 1.00 33.42 H new ATOM 0 HG SER A 24 -14.220 -11.541 -2.412 1.00 14.23 H new ATOM 334 N PHE A 25 -13.469 -12.558 0.092 1.00 10.21 N ATOM 335 CA PHE A 25 -12.107 -12.663 0.587 1.00 42.11 C ATOM 336 C PHE A 25 -11.949 -13.877 1.504 1.00 23.40 C ATOM 337 O PHE A 25 -12.802 -14.135 2.352 1.00 51.14 O ATOM 338 CB PHE A 25 -11.823 -11.392 1.390 1.00 54.10 C ATOM 339 CG PHE A 25 -10.695 -11.541 2.412 1.00 4.51 C ATOM 340 CD1 PHE A 25 -9.442 -11.106 2.110 1.00 62.14 C ATOM 341 CD2 PHE A 25 -10.944 -12.107 3.623 1.00 0.01 C ATOM 342 CE1 PHE A 25 -8.394 -11.244 3.058 1.00 32.02 C ATOM 343 CE2 PHE A 25 -9.896 -12.245 4.572 1.00 53.03 C ATOM 344 CZ PHE A 25 -8.644 -11.811 4.269 1.00 5.42 C ATOM 0 H PHE A 25 -13.913 -11.654 0.254 1.00 10.21 H new ATOM 0 HA PHE A 25 -11.416 -12.779 -0.248 1.00 42.11 H new ATOM 0 HB2 PHE A 25 -11.570 -10.587 0.700 1.00 54.10 H new ATOM 0 HB3 PHE A 25 -12.733 -11.092 1.910 1.00 54.10 H new ATOM 0 HD1 PHE A 25 -9.244 -10.655 1.149 1.00 62.14 H new ATOM 0 HD2 PHE A 25 -11.939 -12.452 3.863 1.00 0.01 H new ATOM 0 HE1 PHE A 25 -7.399 -10.899 2.818 1.00 32.02 H new ATOM 0 HE2 PHE A 25 -10.094 -12.695 5.534 1.00 53.03 H new ATOM 0 HZ PHE A 25 -7.847 -11.916 4.990 1.00 5.42 H new ATOM 354 N ASP A 26 -10.851 -14.591 1.303 1.00 21.44 N ATOM 355 CA ASP A 26 -10.570 -15.773 2.102 1.00 50.43 C ATOM 356 C ASP A 26 -9.083 -15.799 2.459 1.00 24.33 C ATOM 357 O ASP A 26 -8.264 -16.294 1.686 1.00 25.04 O ATOM 358 CB ASP A 26 -10.893 -17.051 1.326 1.00 22.21 C ATOM 359 CG ASP A 26 -11.333 -18.237 2.188 1.00 42.54 C ATOM 360 OD1 ASP A 26 -11.473 -19.366 1.696 1.00 24.31 O ATOM 361 OD2 ASP A 26 -11.538 -17.960 3.431 1.00 62.40 O ATOM 0 H ASP A 26 -10.145 -14.374 0.599 1.00 21.44 H new ATOM 0 HA ASP A 26 -11.188 -15.730 2.999 1.00 50.43 H new ATOM 0 HB2 ASP A 26 -11.682 -16.832 0.606 1.00 22.21 H new ATOM 0 HB3 ASP A 26 -10.012 -17.344 0.754 1.00 22.21 H new ATOM 367 N HIS A 27 -8.779 -15.261 3.631 1.00 3.20 N ATOM 368 CA HIS A 27 -7.404 -15.217 4.100 1.00 12.44 C ATOM 369 C HIS A 27 -6.727 -16.562 3.833 1.00 60.24 C ATOM 370 O HIS A 27 -5.696 -16.620 3.164 1.00 73.32 O ATOM 371 CB HIS A 27 -7.346 -14.806 5.573 1.00 31.42 C ATOM 372 CG HIS A 27 -7.676 -15.923 6.535 1.00 12.32 C ATOM 373 ND1 HIS A 27 -6.864 -16.769 7.230 1.00 1.01 N flip ATOM 374 CD2 HIS A 27 -8.975 -16.266 6.868 1.00 22.45 C flip ATOM 375 CE1 HIS A 27 -7.625 -17.584 7.950 1.00 31.35 C flip ATOM 376 NE2 HIS A 27 -8.934 -17.274 7.726 1.00 22.52 N flip ATOM 0 H HIS A 27 -9.461 -14.852 4.270 1.00 3.20 H new ATOM 0 HA HIS A 27 -6.852 -14.456 3.548 1.00 12.44 H new ATOM 0 HB2 HIS A 27 -6.347 -14.431 5.796 1.00 31.42 H new ATOM 0 HB3 HIS A 27 -8.040 -13.982 5.737 1.00 31.42 H new ATOM 0 HD2 HIS A 27 -9.870 -15.792 6.492 1.00 22.45 H new ATOM 0 HE1 HIS A 27 -7.267 -18.364 8.605 1.00 31.35 H new ATOM 0 HE2 HIS A 27 -9.740 -17.737 8.146 1.00 22.52 H new ATOM 384 N LYS A 28 -7.334 -17.611 4.369 1.00 41.25 N ATOM 385 CA LYS A 28 -6.803 -18.952 4.196 1.00 64.22 C ATOM 386 C LYS A 28 -6.306 -19.118 2.758 1.00 34.31 C ATOM 387 O LYS A 28 -5.199 -19.604 2.532 1.00 10.30 O ATOM 388 CB LYS A 28 -7.839 -19.997 4.613 1.00 34.02 C ATOM 389 CG LYS A 28 -9.117 -19.863 3.783 1.00 74.54 C ATOM 390 CD LYS A 28 -10.333 -20.371 4.561 1.00 2.12 C ATOM 391 CE LYS A 28 -10.097 -21.791 5.081 1.00 54.43 C ATOM 392 NZ LYS A 28 -11.158 -22.174 6.039 1.00 73.53 N ATOM 0 H LYS A 28 -8.189 -17.559 4.923 1.00 41.25 H new ATOM 0 HA LYS A 28 -5.945 -19.109 4.850 1.00 64.22 H new ATOM 0 HB2 LYS A 28 -7.423 -20.997 4.488 1.00 34.02 H new ATOM 0 HB3 LYS A 28 -8.074 -19.879 5.671 1.00 34.02 H new ATOM 0 HG2 LYS A 28 -9.268 -18.819 3.507 1.00 74.54 H new ATOM 0 HG3 LYS A 28 -9.013 -20.426 2.856 1.00 74.54 H new ATOM 0 HD2 LYS A 28 -10.539 -19.703 5.397 1.00 2.12 H new ATOM 0 HD3 LYS A 28 -11.213 -20.357 3.918 1.00 2.12 H new ATOM 0 HE2 LYS A 28 -10.081 -22.492 4.247 1.00 54.43 H new ATOM 0 HE3 LYS A 28 -9.122 -21.850 5.566 1.00 54.43 H new ATOM 0 HZ1 LYS A 28 -10.983 -23.140 6.382 1.00 73.53 H new ATOM 0 HZ2 LYS A 28 -11.154 -21.515 6.843 1.00 73.53 H new ATOM 0 HZ3 LYS A 28 -12.083 -22.137 5.565 1.00 73.53 H new ATOM 405 N LYS A 29 -7.150 -18.706 1.823 1.00 10.15 N ATOM 406 CA LYS A 29 -6.811 -18.803 0.414 1.00 51.02 C ATOM 407 C LYS A 29 -5.638 -17.868 0.110 1.00 35.32 C ATOM 408 O LYS A 29 -4.600 -18.309 -0.379 1.00 45.23 O ATOM 409 CB LYS A 29 -8.045 -18.543 -0.453 1.00 21.40 C ATOM 410 CG LYS A 29 -9.199 -19.465 -0.054 1.00 61.53 C ATOM 411 CD LYS A 29 -9.059 -20.837 -0.717 1.00 62.31 C ATOM 412 CE LYS A 29 -8.251 -21.792 0.164 1.00 44.10 C ATOM 413 NZ LYS A 29 -8.678 -23.191 -0.060 1.00 62.11 N ATOM 0 H LYS A 29 -8.068 -18.304 2.014 1.00 10.15 H new ATOM 0 HA LYS A 29 -6.485 -19.814 0.170 1.00 51.02 H new ATOM 0 HB2 LYS A 29 -8.354 -17.503 -0.350 1.00 21.40 H new ATOM 0 HB3 LYS A 29 -7.796 -18.699 -1.503 1.00 21.40 H new ATOM 0 HG2 LYS A 29 -9.218 -19.581 1.030 1.00 61.53 H new ATOM 0 HG3 LYS A 29 -10.147 -19.012 -0.343 1.00 61.53 H new ATOM 0 HD2 LYS A 29 -10.047 -21.257 -0.904 1.00 62.31 H new ATOM 0 HD3 LYS A 29 -8.571 -20.729 -1.685 1.00 62.31 H new ATOM 0 HE2 LYS A 29 -7.189 -21.690 -0.058 1.00 44.10 H new ATOM 0 HE3 LYS A 29 -8.384 -21.529 1.213 1.00 44.10 H new ATOM 0 HZ1 LYS A 29 -8.120 -23.826 0.546 1.00 62.11 H new ATOM 0 HZ2 LYS A 29 -9.687 -23.288 0.174 1.00 62.11 H new ATOM 0 HZ3 LYS A 29 -8.528 -23.444 -1.058 1.00 62.11 H new ATOM 426 N PHE A 30 -5.844 -16.595 0.413 1.00 33.13 N ATOM 427 CA PHE A 30 -4.817 -15.594 0.179 1.00 71.51 C ATOM 428 C PHE A 30 -3.431 -16.140 0.526 1.00 25.31 C ATOM 429 O PHE A 30 -2.568 -16.254 -0.344 1.00 35.01 O ATOM 430 CB PHE A 30 -5.130 -14.410 1.095 1.00 43.52 C ATOM 431 CG PHE A 30 -4.567 -13.075 0.600 1.00 30.42 C ATOM 432 CD1 PHE A 30 -5.401 -12.141 0.070 1.00 4.51 C ATOM 433 CD2 PHE A 30 -3.234 -12.824 0.691 1.00 65.43 C ATOM 434 CE1 PHE A 30 -4.878 -10.902 -0.389 1.00 34.41 C ATOM 435 CE2 PHE A 30 -2.711 -11.586 0.232 1.00 73.23 C ATOM 436 CZ PHE A 30 -3.545 -10.651 -0.298 1.00 62.45 C ATOM 0 H PHE A 30 -6.707 -16.234 0.819 1.00 33.13 H new ATOM 0 HA PHE A 30 -4.811 -15.305 -0.872 1.00 71.51 H new ATOM 0 HB2 PHE A 30 -6.211 -14.320 1.200 1.00 43.52 H new ATOM 0 HB3 PHE A 30 -4.730 -14.616 2.088 1.00 43.52 H new ATOM 0 HD1 PHE A 30 -6.460 -12.341 -0.002 1.00 4.51 H new ATOM 0 HD2 PHE A 30 -2.572 -13.566 1.113 1.00 65.43 H new ATOM 0 HE1 PHE A 30 -5.540 -10.160 -0.810 1.00 34.41 H new ATOM 0 HE2 PHE A 30 -1.652 -11.387 0.304 1.00 73.23 H new ATOM 0 HZ PHE A 30 -3.148 -9.709 -0.647 1.00 62.45 H new ATOM 446 N PHE A 31 -3.259 -16.463 1.799 1.00 22.55 N ATOM 447 CA PHE A 31 -1.992 -16.995 2.272 1.00 3.45 C ATOM 448 C PHE A 31 -1.539 -18.178 1.415 1.00 62.01 C ATOM 449 O PHE A 31 -0.345 -18.356 1.178 1.00 71.44 O ATOM 450 CB PHE A 31 -2.216 -17.476 3.707 1.00 32.22 C ATOM 451 CG PHE A 31 -2.238 -16.352 4.745 1.00 44.12 C ATOM 452 CD1 PHE A 31 -3.169 -16.359 5.736 1.00 41.11 C ATOM 453 CD2 PHE A 31 -1.325 -15.346 4.676 1.00 54.51 C ATOM 454 CE1 PHE A 31 -3.189 -15.315 6.699 1.00 62.52 C ATOM 455 CE2 PHE A 31 -1.345 -14.302 5.639 1.00 73.02 C ATOM 456 CZ PHE A 31 -2.277 -14.309 6.630 1.00 64.11 C ATOM 0 H PHE A 31 -3.976 -16.367 2.518 1.00 22.55 H new ATOM 0 HA PHE A 31 -1.222 -16.225 2.216 1.00 3.45 H new ATOM 0 HB2 PHE A 31 -3.160 -18.018 3.754 1.00 32.22 H new ATOM 0 HB3 PHE A 31 -1.429 -18.183 3.969 1.00 32.22 H new ATOM 0 HD1 PHE A 31 -3.893 -17.158 5.791 1.00 41.11 H new ATOM 0 HD2 PHE A 31 -0.585 -15.341 3.889 1.00 54.51 H new ATOM 0 HE1 PHE A 31 -3.929 -15.320 7.486 1.00 62.52 H new ATOM 0 HE2 PHE A 31 -0.621 -13.503 5.584 1.00 73.02 H new ATOM 0 HZ PHE A 31 -2.292 -13.515 7.362 1.00 64.11 H new ATOM 466 N LYS A 32 -2.516 -18.956 0.973 1.00 11.04 N ATOM 467 CA LYS A 32 -2.233 -20.117 0.147 1.00 20.32 C ATOM 468 C LYS A 32 -1.939 -19.661 -1.283 1.00 43.21 C ATOM 469 O LYS A 32 -1.292 -20.377 -2.046 1.00 52.44 O ATOM 470 CB LYS A 32 -3.371 -21.135 0.246 1.00 62.40 C ATOM 471 CG LYS A 32 -2.945 -22.490 -0.324 1.00 34.24 C ATOM 472 CD LYS A 32 -3.280 -22.588 -1.813 1.00 70.14 C ATOM 473 CE LYS A 32 -3.593 -24.032 -2.211 1.00 42.02 C ATOM 474 NZ LYS A 32 -3.321 -24.243 -3.651 1.00 22.44 N ATOM 0 H LYS A 32 -3.505 -18.805 1.172 1.00 11.04 H new ATOM 0 HA LYS A 32 -1.343 -20.632 0.507 1.00 20.32 H new ATOM 0 HB2 LYS A 32 -3.669 -21.252 1.288 1.00 62.40 H new ATOM 0 HB3 LYS A 32 -4.242 -20.766 -0.296 1.00 62.40 H new ATOM 0 HG2 LYS A 32 -1.874 -22.629 -0.179 1.00 34.24 H new ATOM 0 HG3 LYS A 32 -3.447 -23.291 0.219 1.00 34.24 H new ATOM 0 HD2 LYS A 32 -4.135 -21.951 -2.040 1.00 70.14 H new ATOM 0 HD3 LYS A 32 -2.442 -22.218 -2.403 1.00 70.14 H new ATOM 0 HE2 LYS A 32 -2.990 -24.718 -1.616 1.00 42.02 H new ATOM 0 HE3 LYS A 32 -4.638 -24.257 -1.995 1.00 42.02 H new ATOM 0 HZ1 LYS A 32 -3.539 -25.228 -3.905 1.00 22.44 H new ATOM 0 HZ2 LYS A 32 -3.915 -23.601 -4.214 1.00 22.44 H new ATOM 0 HZ3 LYS A 32 -2.318 -24.048 -3.847 1.00 22.44 H new ATOM 487 N ALA A 33 -2.427 -18.472 -1.603 1.00 54.40 N ATOM 488 CA ALA A 33 -2.225 -17.911 -2.928 1.00 61.02 C ATOM 489 C ALA A 33 -0.790 -17.393 -3.044 1.00 51.41 C ATOM 490 O ALA A 33 -0.018 -17.872 -3.873 1.00 21.53 O ATOM 491 CB ALA A 33 -3.263 -16.816 -3.184 1.00 22.33 C ATOM 0 H ALA A 33 -2.962 -17.881 -0.967 1.00 54.40 H new ATOM 0 HA ALA A 33 -2.363 -18.675 -3.693 1.00 61.02 H new ATOM 0 HB1 ALA A 33 -3.111 -16.396 -4.178 1.00 22.33 H new ATOM 0 HB2 ALA A 33 -4.264 -17.242 -3.119 1.00 22.33 H new ATOM 0 HB3 ALA A 33 -3.154 -16.030 -2.437 1.00 22.33 H new ATOM 497 N CYS A 34 -0.476 -16.420 -2.201 1.00 55.44 N ATOM 498 CA CYS A 34 0.852 -15.831 -2.199 1.00 10.11 C ATOM 499 C CYS A 34 1.862 -16.925 -1.847 1.00 33.13 C ATOM 500 O CYS A 34 3.051 -16.792 -2.131 1.00 71.01 O ATOM 501 CB CYS A 34 0.942 -14.642 -1.241 1.00 13.54 C ATOM 502 SG CYS A 34 0.266 -15.104 0.396 1.00 72.01 S ATOM 0 H CYS A 34 -1.119 -16.025 -1.515 1.00 55.44 H new ATOM 0 HA CYS A 34 1.078 -15.434 -3.189 1.00 10.11 H new ATOM 0 HB2 CYS A 34 1.980 -14.325 -1.139 1.00 13.54 H new ATOM 0 HB3 CYS A 34 0.388 -13.795 -1.646 1.00 13.54 H new ATOM 0 HG CYS A 34 -0.977 -15.463 0.267 1.00 72.01 H new ATOM 508 N GLY A 35 1.351 -17.982 -1.233 1.00 34.12 N ATOM 509 CA GLY A 35 2.193 -19.099 -0.839 1.00 11.42 C ATOM 510 C GLY A 35 2.541 -19.024 0.649 1.00 23.22 C ATOM 511 O GLY A 35 3.085 -19.974 1.211 1.00 10.33 O ATOM 0 H GLY A 35 0.364 -18.089 -0.999 1.00 34.12 H new ATOM 0 HA2 GLY A 35 1.680 -20.038 -1.050 1.00 11.42 H new ATOM 0 HA3 GLY A 35 3.108 -19.096 -1.431 1.00 11.42 H new ATOM 515 N LEU A 36 2.214 -17.887 1.245 1.00 40.12 N ATOM 516 CA LEU A 36 2.486 -17.676 2.657 1.00 74.24 C ATOM 517 C LEU A 36 2.186 -18.964 3.427 1.00 50.22 C ATOM 518 O LEU A 36 2.809 -19.238 4.451 1.00 24.01 O ATOM 519 CB LEU A 36 1.719 -16.458 3.174 1.00 55.43 C ATOM 520 CG LEU A 36 2.449 -15.117 3.082 1.00 43.50 C ATOM 521 CD1 LEU A 36 1.510 -13.956 3.417 1.00 60.32 C ATOM 522 CD2 LEU A 36 3.701 -15.113 3.962 1.00 50.11 C ATOM 0 H LEU A 36 1.763 -17.102 0.776 1.00 40.12 H new ATOM 0 HA LEU A 36 3.541 -17.449 2.812 1.00 74.24 H new ATOM 0 HB2 LEU A 36 0.785 -16.379 2.618 1.00 55.43 H new ATOM 0 HB3 LEU A 36 1.456 -16.635 4.217 1.00 55.43 H new ATOM 0 HG LEU A 36 2.778 -14.978 2.052 1.00 43.50 H new ATOM 0 HD11 LEU A 36 2.055 -13.015 3.344 1.00 60.32 H new ATOM 0 HD12 LEU A 36 0.676 -13.948 2.715 1.00 60.32 H new ATOM 0 HD13 LEU A 36 1.129 -14.077 4.431 1.00 60.32 H new ATOM 0 HD21 LEU A 36 4.201 -14.148 3.878 1.00 50.11 H new ATOM 0 HD22 LEU A 36 3.417 -15.286 5.000 1.00 50.11 H new ATOM 0 HD23 LEU A 36 4.378 -15.902 3.635 1.00 50.11 H new ATOM 534 N SER A 37 1.231 -19.720 2.904 1.00 5.43 N ATOM 535 CA SER A 37 0.842 -20.972 3.530 1.00 54.30 C ATOM 536 C SER A 37 1.939 -22.019 3.333 1.00 24.12 C ATOM 537 O SER A 37 2.211 -22.435 2.208 1.00 60.11 O ATOM 538 CB SER A 37 -0.485 -21.481 2.963 1.00 13.35 C ATOM 539 OG SER A 37 -0.294 -22.327 1.833 1.00 24.43 O ATOM 0 H SER A 37 0.716 -19.489 2.054 1.00 5.43 H new ATOM 0 HA SER A 37 0.707 -20.794 4.597 1.00 54.30 H new ATOM 0 HB2 SER A 37 -1.024 -22.027 3.737 1.00 13.35 H new ATOM 0 HB3 SER A 37 -1.107 -20.632 2.679 1.00 13.35 H new ATOM 0 HG SER A 37 0.645 -22.294 1.555 1.00 24.43 H new ATOM 545 N GLY A 38 2.541 -22.415 4.445 1.00 31.42 N ATOM 546 CA GLY A 38 3.603 -23.406 4.409 1.00 21.32 C ATOM 547 C GLY A 38 4.979 -22.737 4.440 1.00 74.03 C ATOM 548 O GLY A 38 5.984 -23.389 4.715 1.00 23.42 O ATOM 0 H GLY A 38 2.313 -22.067 5.377 1.00 31.42 H new ATOM 0 HA2 GLY A 38 3.504 -24.081 5.259 1.00 21.32 H new ATOM 0 HA3 GLY A 38 3.509 -24.012 3.508 1.00 21.32 H new ATOM 552 N LYS A 39 4.978 -21.444 4.153 1.00 44.51 N ATOM 553 CA LYS A 39 6.214 -20.679 4.144 1.00 11.30 C ATOM 554 C LYS A 39 6.921 -20.844 5.491 1.00 72.32 C ATOM 555 O LYS A 39 6.520 -21.671 6.309 1.00 51.22 O ATOM 556 CB LYS A 39 5.939 -19.221 3.769 1.00 61.12 C ATOM 557 CG LYS A 39 5.975 -19.030 2.251 1.00 10.52 C ATOM 558 CD LYS A 39 7.324 -19.464 1.676 1.00 43.05 C ATOM 559 CE LYS A 39 7.716 -18.594 0.480 1.00 40.43 C ATOM 560 NZ LYS A 39 8.797 -19.239 -0.299 1.00 1.54 N ATOM 0 H LYS A 39 4.142 -20.906 3.925 1.00 44.51 H new ATOM 0 HA LYS A 39 6.891 -21.059 3.379 1.00 11.30 H new ATOM 0 HB2 LYS A 39 4.965 -18.920 4.154 1.00 61.12 H new ATOM 0 HB3 LYS A 39 6.681 -18.575 4.238 1.00 61.12 H new ATOM 0 HG2 LYS A 39 5.175 -19.609 1.789 1.00 10.52 H new ATOM 0 HG3 LYS A 39 5.792 -17.983 2.008 1.00 10.52 H new ATOM 0 HD2 LYS A 39 8.091 -19.395 2.447 1.00 43.05 H new ATOM 0 HD3 LYS A 39 7.273 -20.509 1.369 1.00 43.05 H new ATOM 0 HE2 LYS A 39 6.848 -18.431 -0.158 1.00 40.43 H new ATOM 0 HE3 LYS A 39 8.045 -17.615 0.828 1.00 40.43 H new ATOM 0 HZ1 LYS A 39 9.051 -18.635 -1.107 1.00 1.54 H new ATOM 0 HZ2 LYS A 39 9.630 -19.373 0.309 1.00 1.54 H new ATOM 0 HZ3 LYS A 39 8.470 -20.163 -0.647 1.00 1.54 H new ATOM 573 N SER A 40 7.960 -20.045 5.679 1.00 25.04 N ATOM 574 CA SER A 40 8.727 -20.093 6.913 1.00 51.40 C ATOM 575 C SER A 40 8.263 -18.985 7.861 1.00 55.24 C ATOM 576 O SER A 40 8.021 -17.857 7.432 1.00 22.34 O ATOM 577 CB SER A 40 10.226 -19.960 6.636 1.00 73.14 C ATOM 578 OG SER A 40 10.674 -20.900 5.663 1.00 73.22 O ATOM 0 H SER A 40 8.289 -19.361 4.998 1.00 25.04 H new ATOM 0 HA SER A 40 8.556 -21.061 7.384 1.00 51.40 H new ATOM 0 HB2 SER A 40 10.443 -18.949 6.290 1.00 73.14 H new ATOM 0 HB3 SER A 40 10.780 -20.106 7.563 1.00 73.14 H new ATOM 0 HG SER A 40 11.635 -20.782 5.513 1.00 73.22 H new ATOM 584 N THR A 41 8.151 -19.345 9.131 1.00 44.22 N ATOM 585 CA THR A 41 7.720 -18.395 10.143 1.00 62.42 C ATOM 586 C THR A 41 8.589 -17.137 10.098 1.00 21.01 C ATOM 587 O THR A 41 8.192 -16.086 10.598 1.00 11.14 O ATOM 588 CB THR A 41 7.747 -19.105 11.498 1.00 12.52 C ATOM 589 OG1 THR A 41 6.560 -19.893 11.501 1.00 62.53 O ATOM 590 CG2 THR A 41 7.554 -18.138 12.669 1.00 61.04 C ATOM 0 H THR A 41 8.351 -20.281 9.483 1.00 44.22 H new ATOM 0 HA THR A 41 6.701 -18.054 9.958 1.00 62.42 H new ATOM 0 HB THR A 41 8.695 -19.631 11.613 1.00 12.52 H new ATOM 0 HG1 THR A 41 6.499 -20.389 12.344 1.00 62.53 H new ATOM 0 HG21 THR A 41 7.581 -18.692 13.607 1.00 61.04 H new ATOM 0 HG22 THR A 41 8.352 -17.395 12.663 1.00 61.04 H new ATOM 0 HG23 THR A 41 6.591 -17.637 12.572 1.00 61.04 H new ATOM 598 N ASP A 42 9.759 -17.286 9.494 1.00 1.34 N ATOM 599 CA ASP A 42 10.688 -16.174 9.378 1.00 73.21 C ATOM 600 C ASP A 42 10.049 -15.068 8.535 1.00 24.22 C ATOM 601 O ASP A 42 9.831 -13.960 9.022 1.00 52.10 O ATOM 602 CB ASP A 42 11.982 -16.608 8.687 1.00 52.14 C ATOM 603 CG ASP A 42 13.007 -17.285 9.599 1.00 53.01 C ATOM 604 OD1 ASP A 42 13.964 -16.650 10.065 1.00 24.32 O ATOM 605 OD2 ASP A 42 12.789 -18.535 9.830 1.00 71.42 O ATOM 0 H ASP A 42 10.085 -18.159 9.080 1.00 1.34 H new ATOM 0 HA ASP A 42 10.917 -15.819 10.383 1.00 73.21 H new ATOM 0 HB2 ASP A 42 11.731 -17.292 7.877 1.00 52.14 H new ATOM 0 HB3 ASP A 42 12.445 -15.732 8.233 1.00 52.14 H new ATOM 611 N GLU A 43 9.768 -15.408 7.286 1.00 44.32 N ATOM 612 CA GLU A 43 9.159 -14.457 6.371 1.00 64.22 C ATOM 613 C GLU A 43 7.821 -13.968 6.927 1.00 73.00 C ATOM 614 O GLU A 43 7.519 -12.777 6.870 1.00 52.00 O ATOM 615 CB GLU A 43 8.984 -15.070 4.980 1.00 22.10 C ATOM 616 CG GLU A 43 7.675 -15.857 4.888 1.00 1.34 C ATOM 617 CD GLU A 43 7.486 -16.445 3.489 1.00 70.42 C ATOM 618 OE1 GLU A 43 6.544 -16.064 2.778 1.00 63.01 O ATOM 619 OE2 GLU A 43 8.361 -17.329 3.146 1.00 20.13 O ATOM 0 H GLU A 43 9.951 -16.328 6.886 1.00 44.32 H new ATOM 0 HA GLU A 43 9.824 -13.599 6.273 1.00 64.22 H new ATOM 0 HB2 GLU A 43 8.992 -14.281 4.228 1.00 22.10 H new ATOM 0 HB3 GLU A 43 9.824 -15.728 4.761 1.00 22.10 H new ATOM 0 HG2 GLU A 43 7.676 -16.659 5.626 1.00 1.34 H new ATOM 0 HG3 GLU A 43 6.836 -15.204 5.128 1.00 1.34 H new ATOM 627 N VAL A 44 7.054 -14.912 7.452 1.00 31.23 N ATOM 628 CA VAL A 44 5.754 -14.592 8.018 1.00 24.23 C ATOM 629 C VAL A 44 5.853 -13.281 8.800 1.00 14.23 C ATOM 630 O VAL A 44 5.044 -12.375 8.604 1.00 41.10 O ATOM 631 CB VAL A 44 5.253 -15.760 8.870 1.00 74.00 C ATOM 632 CG1 VAL A 44 4.002 -15.366 9.659 1.00 44.22 C ATOM 633 CG2 VAL A 44 4.989 -16.995 8.006 1.00 24.11 C ATOM 0 H VAL A 44 7.308 -15.899 7.497 1.00 31.23 H new ATOM 0 HA VAL A 44 5.018 -14.445 7.227 1.00 24.23 H new ATOM 0 HB VAL A 44 6.035 -16.012 9.586 1.00 74.00 H new ATOM 0 HG11 VAL A 44 3.666 -16.214 10.256 1.00 44.22 H new ATOM 0 HG12 VAL A 44 4.235 -14.529 10.317 1.00 44.22 H new ATOM 0 HG13 VAL A 44 3.212 -15.074 8.967 1.00 44.22 H new ATOM 0 HG21 VAL A 44 4.634 -17.811 8.636 1.00 24.11 H new ATOM 0 HG22 VAL A 44 4.233 -16.760 7.256 1.00 24.11 H new ATOM 0 HG23 VAL A 44 5.912 -17.295 7.509 1.00 24.11 H new ATOM 643 N LYS A 45 6.850 -13.221 9.670 1.00 31.14 N ATOM 644 CA LYS A 45 7.064 -12.036 10.483 1.00 42.31 C ATOM 645 C LYS A 45 7.344 -10.840 9.570 1.00 71.43 C ATOM 646 O LYS A 45 6.693 -9.803 9.683 1.00 43.33 O ATOM 647 CB LYS A 45 8.161 -12.288 11.519 1.00 2.44 C ATOM 648 CG LYS A 45 7.843 -13.522 12.365 1.00 31.14 C ATOM 649 CD LYS A 45 9.126 -14.210 12.836 1.00 41.10 C ATOM 650 CE LYS A 45 8.855 -15.110 14.043 1.00 12.54 C ATOM 651 NZ LYS A 45 10.054 -15.193 14.907 1.00 32.21 N ATOM 0 H LYS A 45 7.519 -13.974 9.830 1.00 31.14 H new ATOM 0 HA LYS A 45 6.166 -11.799 11.054 1.00 42.31 H new ATOM 0 HB2 LYS A 45 9.118 -12.425 11.015 1.00 2.44 H new ATOM 0 HB3 LYS A 45 8.263 -11.416 12.165 1.00 2.44 H new ATOM 0 HG2 LYS A 45 7.244 -13.231 13.228 1.00 31.14 H new ATOM 0 HG3 LYS A 45 7.244 -14.222 11.783 1.00 31.14 H new ATOM 0 HD2 LYS A 45 9.544 -14.803 12.023 1.00 41.10 H new ATOM 0 HD3 LYS A 45 9.871 -13.458 13.098 1.00 41.10 H new ATOM 0 HE2 LYS A 45 8.014 -14.718 14.615 1.00 12.54 H new ATOM 0 HE3 LYS A 45 8.573 -16.107 13.705 1.00 12.54 H new ATOM 0 HZ1 LYS A 45 9.853 -15.808 15.722 1.00 32.21 H new ATOM 0 HZ2 LYS A 45 10.847 -15.588 14.363 1.00 32.21 H new ATOM 0 HZ3 LYS A 45 10.305 -14.242 15.245 1.00 32.21 H new ATOM 664 N LYS A 46 8.313 -11.026 8.685 1.00 34.22 N ATOM 665 CA LYS A 46 8.686 -9.976 7.753 1.00 64.11 C ATOM 666 C LYS A 46 7.462 -9.572 6.929 1.00 63.43 C ATOM 667 O LYS A 46 7.425 -8.483 6.358 1.00 23.33 O ATOM 668 CB LYS A 46 9.882 -10.414 6.904 1.00 1.45 C ATOM 669 CG LYS A 46 10.928 -11.132 7.760 1.00 75.53 C ATOM 670 CD LYS A 46 12.332 -10.940 7.185 1.00 4.12 C ATOM 671 CE LYS A 46 13.391 -11.538 8.114 1.00 62.25 C ATOM 672 NZ LYS A 46 14.750 -11.176 7.651 1.00 32.15 N ATOM 0 H LYS A 46 8.851 -11.888 8.594 1.00 34.22 H new ATOM 0 HA LYS A 46 9.015 -9.087 8.292 1.00 64.11 H new ATOM 0 HB2 LYS A 46 9.544 -11.075 6.106 1.00 1.45 H new ATOM 0 HB3 LYS A 46 10.332 -9.543 6.427 1.00 1.45 H new ATOM 0 HG2 LYS A 46 10.893 -10.749 8.780 1.00 75.53 H new ATOM 0 HG3 LYS A 46 10.694 -12.195 7.811 1.00 75.53 H new ATOM 0 HD2 LYS A 46 12.395 -11.412 6.204 1.00 4.12 H new ATOM 0 HD3 LYS A 46 12.528 -9.877 7.041 1.00 4.12 H new ATOM 0 HE2 LYS A 46 13.238 -11.176 9.131 1.00 62.25 H new ATOM 0 HE3 LYS A 46 13.287 -12.623 8.143 1.00 62.25 H new ATOM 0 HZ1 LYS A 46 15.457 -11.590 8.292 1.00 32.15 H new ATOM 0 HZ2 LYS A 46 14.898 -11.543 6.689 1.00 32.15 H new ATOM 0 HZ3 LYS A 46 14.851 -10.141 7.646 1.00 32.15 H new ATOM 685 N ALA A 47 6.490 -10.472 6.892 1.00 23.12 N ATOM 686 CA ALA A 47 5.268 -10.223 6.147 1.00 32.32 C ATOM 687 C ALA A 47 4.284 -9.456 7.032 1.00 13.42 C ATOM 688 O ALA A 47 3.572 -8.574 6.555 1.00 54.24 O ATOM 689 CB ALA A 47 4.693 -11.552 5.652 1.00 54.43 C ATOM 0 H ALA A 47 6.524 -11.375 7.366 1.00 23.12 H new ATOM 0 HA ALA A 47 5.471 -9.608 5.270 1.00 32.32 H new ATOM 0 HB1 ALA A 47 3.776 -11.366 5.093 1.00 54.43 H new ATOM 0 HB2 ALA A 47 5.419 -12.044 5.005 1.00 54.43 H new ATOM 0 HB3 ALA A 47 4.474 -12.194 6.505 1.00 54.43 H new ATOM 695 N PHE A 48 4.276 -9.819 8.306 1.00 14.13 N ATOM 696 CA PHE A 48 3.391 -9.175 9.262 1.00 34.43 C ATOM 697 C PHE A 48 3.775 -7.708 9.464 1.00 22.21 C ATOM 698 O PHE A 48 2.959 -6.905 9.912 1.00 12.24 O ATOM 699 CB PHE A 48 3.550 -9.919 10.590 1.00 74.12 C ATOM 700 CG PHE A 48 2.961 -9.179 11.792 1.00 11.44 C ATOM 701 CD1 PHE A 48 3.675 -8.194 12.401 1.00 23.32 C ATOM 702 CD2 PHE A 48 1.723 -9.505 12.252 1.00 3.55 C ATOM 703 CE1 PHE A 48 3.129 -7.507 13.517 1.00 30.12 C ATOM 704 CE2 PHE A 48 1.177 -8.817 13.369 1.00 70.34 C ATOM 705 CZ PHE A 48 1.891 -7.833 13.977 1.00 24.14 C ATOM 0 H PHE A 48 4.868 -10.551 8.699 1.00 14.13 H new ATOM 0 HA PHE A 48 2.364 -9.207 8.898 1.00 34.43 H new ATOM 0 HB2 PHE A 48 3.072 -10.895 10.507 1.00 74.12 H new ATOM 0 HB3 PHE A 48 4.610 -10.098 10.770 1.00 74.12 H new ATOM 0 HD1 PHE A 48 4.658 -7.935 12.035 1.00 23.32 H new ATOM 0 HD2 PHE A 48 1.155 -10.286 11.768 1.00 3.55 H new ATOM 0 HE1 PHE A 48 3.696 -6.726 14.001 1.00 30.12 H new ATOM 0 HE2 PHE A 48 0.194 -9.076 13.735 1.00 70.34 H new ATOM 0 HZ PHE A 48 1.475 -7.310 14.825 1.00 24.14 H new ATOM 715 N ALA A 49 5.019 -7.403 9.123 1.00 34.42 N ATOM 716 CA ALA A 49 5.521 -6.047 9.261 1.00 24.13 C ATOM 717 C ALA A 49 5.148 -5.240 8.016 1.00 23.30 C ATOM 718 O ALA A 49 5.380 -4.033 7.962 1.00 73.44 O ATOM 719 CB ALA A 49 7.032 -6.084 9.501 1.00 30.30 C ATOM 0 H ALA A 49 5.694 -8.072 8.752 1.00 34.42 H new ATOM 0 HA ALA A 49 5.066 -5.555 10.121 1.00 24.13 H new ATOM 0 HB1 ALA A 49 7.409 -5.067 9.605 1.00 30.30 H new ATOM 0 HB2 ALA A 49 7.242 -6.643 10.413 1.00 30.30 H new ATOM 0 HB3 ALA A 49 7.523 -6.569 8.657 1.00 30.30 H new ATOM 725 N ILE A 50 4.577 -5.939 7.046 1.00 22.42 N ATOM 726 CA ILE A 50 4.170 -5.303 5.805 1.00 71.20 C ATOM 727 C ILE A 50 2.886 -4.505 6.043 1.00 22.41 C ATOM 728 O ILE A 50 2.825 -3.315 5.738 1.00 60.52 O ATOM 729 CB ILE A 50 4.051 -6.339 4.686 1.00 62.44 C ATOM 730 CG1 ILE A 50 5.314 -7.200 4.599 1.00 55.22 C ATOM 731 CG2 ILE A 50 3.722 -5.669 3.350 1.00 13.24 C ATOM 732 CD1 ILE A 50 6.474 -6.411 3.989 1.00 51.13 C ATOM 0 H ILE A 50 4.387 -6.940 7.095 1.00 22.42 H new ATOM 0 HA ILE A 50 4.929 -4.595 5.473 1.00 71.20 H new ATOM 0 HB ILE A 50 3.222 -7.005 4.925 1.00 62.44 H new ATOM 0 HG12 ILE A 50 5.590 -7.549 5.594 1.00 55.22 H new ATOM 0 HG13 ILE A 50 5.114 -8.085 3.995 1.00 55.22 H new ATOM 0 HG21 ILE A 50 3.643 -6.428 2.572 1.00 13.24 H new ATOM 0 HG22 ILE A 50 2.775 -5.136 3.434 1.00 13.24 H new ATOM 0 HG23 ILE A 50 4.513 -4.965 3.091 1.00 13.24 H new ATOM 0 HD11 ILE A 50 7.359 -7.045 3.939 1.00 51.13 H new ATOM 0 HD12 ILE A 50 6.204 -6.085 2.985 1.00 51.13 H new ATOM 0 HD13 ILE A 50 6.687 -5.540 4.609 1.00 51.13 H new ATOM 744 N ILE A 51 1.892 -5.193 6.586 1.00 4.13 N ATOM 745 CA ILE A 51 0.614 -4.563 6.869 1.00 73.40 C ATOM 746 C ILE A 51 0.811 -3.466 7.916 1.00 10.25 C ATOM 747 O ILE A 51 0.618 -2.286 7.628 1.00 4.40 O ATOM 748 CB ILE A 51 -0.424 -5.614 7.267 1.00 34.34 C ATOM 749 CG1 ILE A 51 -0.258 -6.890 6.440 1.00 74.33 C ATOM 750 CG2 ILE A 51 -1.843 -5.048 7.170 1.00 24.42 C ATOM 751 CD1 ILE A 51 0.180 -8.062 7.320 1.00 30.15 C ATOM 0 H ILE A 51 1.946 -6.180 6.837 1.00 4.13 H new ATOM 0 HA ILE A 51 0.220 -4.082 5.974 1.00 73.40 H new ATOM 0 HB ILE A 51 -0.255 -5.883 8.310 1.00 34.34 H new ATOM 0 HG12 ILE A 51 -1.199 -7.133 5.947 1.00 74.33 H new ATOM 0 HG13 ILE A 51 0.480 -6.725 5.655 1.00 74.33 H new ATOM 0 HG21 ILE A 51 -2.561 -5.815 7.458 1.00 24.42 H new ATOM 0 HG22 ILE A 51 -1.940 -4.192 7.837 1.00 24.42 H new ATOM 0 HG23 ILE A 51 -2.040 -4.733 6.145 1.00 24.42 H new ATOM 0 HD11 ILE A 51 0.290 -8.956 6.707 1.00 30.15 H new ATOM 0 HD12 ILE A 51 1.134 -7.826 7.792 1.00 30.15 H new ATOM 0 HD13 ILE A 51 -0.571 -8.240 8.089 1.00 30.15 H new ATOM 763 N ASP A 52 1.193 -3.894 9.111 1.00 54.32 N ATOM 764 CA ASP A 52 1.418 -2.962 10.203 1.00 61.02 C ATOM 765 C ASP A 52 2.120 -1.713 9.665 1.00 22.33 C ATOM 766 O ASP A 52 3.321 -1.737 9.401 1.00 23.32 O ATOM 767 CB ASP A 52 2.312 -3.581 11.279 1.00 44.20 C ATOM 768 CG ASP A 52 1.752 -4.843 11.938 1.00 0.54 C ATOM 769 OD1 ASP A 52 1.823 -5.007 13.165 1.00 23.44 O ATOM 770 OD2 ASP A 52 1.217 -5.690 11.127 1.00 73.24 O ATOM 0 H ASP A 52 1.352 -4.874 9.347 1.00 54.32 H new ATOM 0 HA ASP A 52 0.451 -2.712 10.638 1.00 61.02 H new ATOM 0 HB2 ASP A 52 3.278 -3.820 10.834 1.00 44.20 H new ATOM 0 HB3 ASP A 52 2.493 -2.835 12.053 1.00 44.20 H new ATOM 776 N GLN A 53 1.341 -0.652 9.519 1.00 12.13 N ATOM 777 CA GLN A 53 1.873 0.604 9.018 1.00 33.11 C ATOM 778 C GLN A 53 2.390 1.461 10.175 1.00 32.13 C ATOM 779 O GLN A 53 3.115 2.425 10.027 1.00 14.01 O ATOM 780 CB GLN A 53 0.820 1.359 8.204 1.00 2.21 C ATOM 781 CG GLN A 53 0.134 0.431 7.200 1.00 53.11 C ATOM 782 CD GLN A 53 -0.826 1.212 6.299 1.00 22.43 C ATOM 783 OE1 GLN A 53 -0.426 1.987 5.446 1.00 24.33 O ATOM 784 NE2 GLN A 53 -2.111 0.965 6.536 1.00 72.55 N ATOM 0 H GLN A 53 0.345 -0.636 9.739 1.00 12.13 H new ATOM 0 HA GLN A 53 2.709 0.383 8.354 1.00 33.11 H new ATOM 0 HB2 GLN A 53 0.076 1.789 8.875 1.00 2.21 H new ATOM 0 HB3 GLN A 53 1.290 2.189 7.676 1.00 2.21 H new ATOM 0 HG2 GLN A 53 0.886 -0.069 6.589 1.00 53.11 H new ATOM 0 HG3 GLN A 53 -0.413 -0.347 7.733 1.00 53.11 H new ATOM 0 HE21 GLN A 53 -2.377 0.304 7.266 1.00 72.55 H new ATOM 0 HE22 GLN A 53 -2.830 1.437 5.988 1.00 72.55 H new ATOM 793 N ASP A 54 1.995 1.084 11.360 1.00 60.21 N ATOM 794 CA ASP A 54 2.436 1.834 12.570 1.00 74.32 C ATOM 795 C ASP A 54 3.244 0.914 13.491 1.00 70.34 C ATOM 796 O ASP A 54 3.727 1.401 14.512 1.00 75.13 O ATOM 797 CB ASP A 54 1.142 2.276 13.254 1.00 13.12 C ATOM 798 CG ASP A 54 0.268 1.053 13.535 1.00 34.13 C ATOM 799 OD1 ASP A 54 -0.048 0.345 12.593 1.00 72.13 O ATOM 800 OD2 ASP A 54 -0.074 0.844 14.688 1.00 62.00 O ATOM 0 H ASP A 54 1.385 0.287 11.543 1.00 60.21 H new ATOM 0 HA ASP A 54 3.076 2.682 12.324 1.00 74.32 H new ATOM 0 HB2 ASP A 54 1.370 2.795 14.185 1.00 13.12 H new ATOM 0 HB3 ASP A 54 0.605 2.981 12.619 1.00 13.12 H new ATOM 805 N LYS A 55 3.371 -0.356 13.132 1.00 13.43 N ATOM 806 CA LYS A 55 4.117 -1.294 13.953 1.00 1.01 C ATOM 807 C LYS A 55 3.783 -1.053 15.427 1.00 65.32 C ATOM 808 O LYS A 55 4.657 -1.144 16.288 1.00 63.33 O ATOM 809 CB LYS A 55 5.612 -1.209 13.639 1.00 21.12 C ATOM 810 CG LYS A 55 5.844 -0.828 12.176 1.00 63.14 C ATOM 811 CD LYS A 55 5.259 -1.883 11.235 1.00 63.41 C ATOM 812 CE LYS A 55 5.948 -3.235 11.432 1.00 62.35 C ATOM 813 NZ LYS A 55 5.301 -3.992 12.526 1.00 22.43 N ATOM 0 H LYS A 55 2.970 -0.756 12.284 1.00 13.43 H new ATOM 0 HA LYS A 55 3.824 -2.318 13.723 1.00 1.01 H new ATOM 0 HB2 LYS A 55 6.083 -0.472 14.290 1.00 21.12 H new ATOM 0 HB3 LYS A 55 6.086 -2.168 13.848 1.00 21.12 H new ATOM 0 HG2 LYS A 55 5.387 0.140 11.972 1.00 63.14 H new ATOM 0 HG3 LYS A 55 6.913 -0.722 11.989 1.00 63.14 H new ATOM 0 HD2 LYS A 55 4.189 -1.986 11.418 1.00 63.41 H new ATOM 0 HD3 LYS A 55 5.376 -1.558 10.201 1.00 63.41 H new ATOM 0 HE2 LYS A 55 5.903 -3.811 10.508 1.00 62.35 H new ATOM 0 HE3 LYS A 55 7.003 -3.082 11.662 1.00 62.35 H new ATOM 0 HZ1 LYS A 55 5.222 -4.993 12.256 1.00 22.43 H new ATOM 0 HZ2 LYS A 55 5.873 -3.910 13.390 1.00 22.43 H new ATOM 0 HZ3 LYS A 55 4.352 -3.605 12.702 1.00 22.43 H new ATOM 826 N SER A 56 2.517 -0.751 15.672 1.00 1.20 N ATOM 827 CA SER A 56 2.057 -0.496 17.027 1.00 62.33 C ATOM 828 C SER A 56 2.438 -1.666 17.937 1.00 52.22 C ATOM 829 O SER A 56 2.484 -1.518 19.157 1.00 3.10 O ATOM 830 CB SER A 56 0.545 -0.267 17.061 1.00 71.40 C ATOM 831 OG SER A 56 -0.140 -1.083 16.115 1.00 72.43 O ATOM 0 H SER A 56 1.795 -0.677 14.955 1.00 1.20 H new ATOM 0 HA SER A 56 2.542 0.410 17.389 1.00 62.33 H new ATOM 0 HB2 SER A 56 0.169 -0.479 18.062 1.00 71.40 H new ATOM 0 HB3 SER A 56 0.333 0.782 16.856 1.00 71.40 H new ATOM 0 HG SER A 56 -0.462 -0.526 15.375 1.00 72.43 H new ATOM 837 N GLY A 57 2.700 -2.802 17.308 1.00 23.11 N ATOM 838 CA GLY A 57 3.075 -3.996 18.046 1.00 64.40 C ATOM 839 C GLY A 57 2.107 -5.146 17.758 1.00 43.43 C ATOM 840 O GLY A 57 2.473 -6.314 17.874 1.00 22.21 O ATOM 0 H GLY A 57 2.660 -2.921 16.296 1.00 23.11 H new ATOM 0 HA2 GLY A 57 4.088 -4.292 17.775 1.00 64.40 H new ATOM 0 HA3 GLY A 57 3.081 -3.780 19.114 1.00 64.40 H new ATOM 844 N PHE A 58 0.891 -4.774 17.387 1.00 11.52 N ATOM 845 CA PHE A 58 -0.132 -5.759 17.081 1.00 15.34 C ATOM 846 C PHE A 58 -1.055 -5.263 15.966 1.00 13.33 C ATOM 847 O PHE A 58 -1.068 -4.074 15.649 1.00 33.41 O ATOM 848 CB PHE A 58 -0.955 -5.960 18.356 1.00 44.21 C ATOM 849 CG PHE A 58 -0.271 -6.839 19.405 1.00 71.30 C ATOM 850 CD1 PHE A 58 -0.676 -8.125 19.583 1.00 73.45 C ATOM 851 CD2 PHE A 58 0.741 -6.335 20.160 1.00 44.11 C ATOM 852 CE1 PHE A 58 -0.042 -8.941 20.556 1.00 30.51 C ATOM 853 CE2 PHE A 58 1.376 -7.151 21.134 1.00 74.14 C ATOM 854 CZ PHE A 58 0.970 -8.437 21.311 1.00 25.22 C ATOM 0 H PHE A 58 0.591 -3.804 17.291 1.00 11.52 H new ATOM 0 HA PHE A 58 0.333 -6.686 16.746 1.00 15.34 H new ATOM 0 HB2 PHE A 58 -1.168 -4.986 18.796 1.00 44.21 H new ATOM 0 HB3 PHE A 58 -1.913 -6.407 18.091 1.00 44.21 H new ATOM 0 HD1 PHE A 58 -1.480 -8.525 18.984 1.00 73.45 H new ATOM 0 HD2 PHE A 58 1.062 -5.314 20.019 1.00 44.11 H new ATOM 0 HE1 PHE A 58 -0.364 -9.962 20.697 1.00 30.51 H new ATOM 0 HE2 PHE A 58 2.180 -6.751 21.733 1.00 74.14 H new ATOM 0 HZ PHE A 58 1.452 -9.058 22.052 1.00 25.22 H new ATOM 864 N ILE A 59 -1.805 -6.198 15.402 1.00 22.32 N ATOM 865 CA ILE A 59 -2.729 -5.871 14.329 1.00 25.23 C ATOM 866 C ILE A 59 -4.138 -5.719 14.904 1.00 32.43 C ATOM 867 O ILE A 59 -4.922 -6.667 14.894 1.00 20.32 O ATOM 868 CB ILE A 59 -2.631 -6.904 13.205 1.00 60.22 C ATOM 869 CG1 ILE A 59 -1.246 -6.877 12.554 1.00 34.21 C ATOM 870 CG2 ILE A 59 -3.750 -6.706 12.180 1.00 21.41 C ATOM 871 CD1 ILE A 59 -1.161 -7.883 11.404 1.00 14.03 C ATOM 0 H ILE A 59 -1.792 -7.183 15.668 1.00 22.32 H new ATOM 0 HA ILE A 59 -2.465 -4.915 13.876 1.00 25.23 H new ATOM 0 HB ILE A 59 -2.763 -7.895 13.639 1.00 60.22 H new ATOM 0 HG12 ILE A 59 -1.035 -5.875 12.181 1.00 34.21 H new ATOM 0 HG13 ILE A 59 -0.485 -7.107 13.300 1.00 34.21 H new ATOM 0 HG21 ILE A 59 -3.658 -7.453 11.392 1.00 21.41 H new ATOM 0 HG22 ILE A 59 -4.717 -6.815 12.671 1.00 21.41 H new ATOM 0 HG23 ILE A 59 -3.674 -5.709 11.746 1.00 21.41 H new ATOM 0 HD11 ILE A 59 -0.167 -7.844 10.959 1.00 14.03 H new ATOM 0 HD12 ILE A 59 -1.349 -8.887 11.784 1.00 14.03 H new ATOM 0 HD13 ILE A 59 -1.907 -7.636 10.649 1.00 14.03 H new ATOM 883 N GLU A 60 -4.418 -4.520 15.392 1.00 3.31 N ATOM 884 CA GLU A 60 -5.719 -4.232 15.970 1.00 12.43 C ATOM 885 C GLU A 60 -6.826 -4.502 14.949 1.00 44.13 C ATOM 886 O GLU A 60 -6.567 -4.554 13.747 1.00 23.33 O ATOM 887 CB GLU A 60 -5.785 -2.791 16.482 1.00 73.13 C ATOM 888 CG GLU A 60 -4.705 -2.533 17.534 1.00 42.43 C ATOM 889 CD GLU A 60 -3.436 -1.969 16.890 1.00 54.11 C ATOM 890 OE1 GLU A 60 -3.503 -0.968 16.162 1.00 53.43 O ATOM 891 OE2 GLU A 60 -2.352 -2.609 17.170 1.00 10.14 O ATOM 0 H GLU A 60 -3.765 -3.736 15.399 1.00 3.31 H new ATOM 0 HA GLU A 60 -5.870 -4.894 16.823 1.00 12.43 H new ATOM 0 HB2 GLU A 60 -5.659 -2.099 15.649 1.00 73.13 H new ATOM 0 HB3 GLU A 60 -6.769 -2.598 16.910 1.00 73.13 H new ATOM 0 HG2 GLU A 60 -5.080 -1.833 18.281 1.00 42.43 H new ATOM 0 HG3 GLU A 60 -4.471 -3.461 18.055 1.00 42.43 H new ATOM 899 N GLU A 61 -8.035 -4.667 15.464 1.00 52.44 N ATOM 900 CA GLU A 61 -9.182 -4.930 14.611 1.00 21.30 C ATOM 901 C GLU A 61 -9.201 -3.956 13.431 1.00 33.42 C ATOM 902 O GLU A 61 -9.339 -4.371 12.281 1.00 30.34 O ATOM 903 CB GLU A 61 -10.486 -4.853 15.407 1.00 32.20 C ATOM 904 CG GLU A 61 -11.682 -5.256 14.541 1.00 24.43 C ATOM 905 CD GLU A 61 -12.287 -4.038 13.840 1.00 25.24 C ATOM 906 OE1 GLU A 61 -12.860 -4.172 12.749 1.00 20.31 O ATOM 907 OE2 GLU A 61 -12.146 -2.921 14.470 1.00 63.20 O ATOM 0 H GLU A 61 -8.246 -4.624 16.461 1.00 52.44 H new ATOM 0 HA GLU A 61 -9.094 -5.943 14.219 1.00 21.30 H new ATOM 0 HB2 GLU A 61 -10.425 -5.508 16.276 1.00 32.20 H new ATOM 0 HB3 GLU A 61 -10.629 -3.839 15.781 1.00 32.20 H new ATOM 0 HG2 GLU A 61 -11.367 -5.988 13.798 1.00 24.43 H new ATOM 0 HG3 GLU A 61 -12.439 -5.736 15.161 1.00 24.43 H new ATOM 915 N GLU A 62 -9.061 -2.680 13.757 1.00 54.35 N ATOM 916 CA GLU A 62 -9.061 -1.643 12.738 1.00 71.51 C ATOM 917 C GLU A 62 -7.967 -1.916 11.704 1.00 4.20 C ATOM 918 O GLU A 62 -8.094 -1.529 10.543 1.00 33.33 O ATOM 919 CB GLU A 62 -8.891 -0.258 13.365 1.00 65.41 C ATOM 920 CG GLU A 62 -9.955 -0.006 14.434 1.00 13.42 C ATOM 921 CD GLU A 62 -9.888 1.435 14.946 1.00 64.24 C ATOM 922 OE1 GLU A 62 -10.387 2.353 14.279 1.00 13.42 O ATOM 923 OE2 GLU A 62 -9.291 1.583 16.080 1.00 43.35 O ATOM 0 H GLU A 62 -8.947 -2.340 14.712 1.00 54.35 H new ATOM 0 HA GLU A 62 -10.025 -1.659 12.230 1.00 71.51 H new ATOM 0 HB2 GLU A 62 -7.899 -0.175 13.808 1.00 65.41 H new ATOM 0 HB3 GLU A 62 -8.960 0.506 12.591 1.00 65.41 H new ATOM 0 HG2 GLU A 62 -10.944 -0.203 14.021 1.00 13.42 H new ATOM 0 HG3 GLU A 62 -9.812 -0.698 15.264 1.00 13.42 H new ATOM 931 N GLU A 63 -6.916 -2.579 12.163 1.00 65.23 N ATOM 932 CA GLU A 63 -5.800 -2.908 11.292 1.00 4.30 C ATOM 933 C GLU A 63 -6.101 -4.181 10.500 1.00 73.50 C ATOM 934 O GLU A 63 -5.659 -4.328 9.361 1.00 35.04 O ATOM 935 CB GLU A 63 -4.504 -3.054 12.093 1.00 51.13 C ATOM 936 CG GLU A 63 -3.945 -1.685 12.486 1.00 32.13 C ATOM 937 CD GLU A 63 -2.459 -1.780 12.837 1.00 10.04 C ATOM 938 OE1 GLU A 63 -2.123 -1.417 13.985 1.00 2.22 O ATOM 939 OE2 GLU A 63 -1.693 -2.214 11.950 1.00 42.40 O ATOM 0 H GLU A 63 -6.813 -2.897 13.127 1.00 65.23 H new ATOM 0 HA GLU A 63 -5.662 -2.089 10.586 1.00 4.30 H new ATOM 0 HB2 GLU A 63 -4.691 -3.645 12.989 1.00 51.13 H new ATOM 0 HB3 GLU A 63 -3.766 -3.596 11.502 1.00 51.13 H new ATOM 0 HG2 GLU A 63 -4.084 -0.982 11.665 1.00 32.13 H new ATOM 0 HG3 GLU A 63 -4.499 -1.293 13.339 1.00 32.13 H new ATOM 946 N LEU A 64 -6.852 -5.070 11.134 1.00 62.51 N ATOM 947 CA LEU A 64 -7.218 -6.327 10.503 1.00 62.04 C ATOM 948 C LEU A 64 -7.904 -6.040 9.165 1.00 22.25 C ATOM 949 O LEU A 64 -7.530 -6.604 8.138 1.00 21.33 O ATOM 950 CB LEU A 64 -8.059 -7.180 11.455 1.00 65.03 C ATOM 951 CG LEU A 64 -7.290 -8.197 12.300 1.00 25.33 C ATOM 952 CD1 LEU A 64 -8.210 -8.868 13.322 1.00 5.23 C ATOM 953 CD2 LEU A 64 -6.576 -9.220 11.413 1.00 13.15 C ATOM 0 H LEU A 64 -7.217 -4.945 12.078 1.00 62.51 H new ATOM 0 HA LEU A 64 -6.328 -6.917 10.286 1.00 62.04 H new ATOM 0 HB2 LEU A 64 -8.600 -6.513 12.127 1.00 65.03 H new ATOM 0 HB3 LEU A 64 -8.806 -7.715 10.868 1.00 65.03 H new ATOM 0 HG LEU A 64 -6.521 -7.664 12.859 1.00 25.33 H new ATOM 0 HD11 LEU A 64 -7.638 -9.586 13.910 1.00 5.23 H new ATOM 0 HD12 LEU A 64 -8.632 -8.112 13.984 1.00 5.23 H new ATOM 0 HD13 LEU A 64 -9.016 -9.385 12.802 1.00 5.23 H new ATOM 0 HD21 LEU A 64 -6.037 -9.931 12.039 1.00 13.15 H new ATOM 0 HD22 LEU A 64 -7.310 -9.753 10.808 1.00 13.15 H new ATOM 0 HD23 LEU A 64 -5.872 -8.706 10.759 1.00 13.15 H new ATOM 965 N LYS A 65 -8.896 -5.164 9.222 1.00 44.43 N ATOM 966 CA LYS A 65 -9.637 -4.795 8.028 1.00 73.12 C ATOM 967 C LYS A 65 -8.672 -4.219 6.990 1.00 4.34 C ATOM 968 O LYS A 65 -9.003 -4.133 5.809 1.00 50.41 O ATOM 969 CB LYS A 65 -10.791 -3.855 8.383 1.00 73.33 C ATOM 970 CG LYS A 65 -10.350 -2.392 8.308 1.00 23.23 C ATOM 971 CD LYS A 65 -11.522 -1.451 8.591 1.00 51.44 C ATOM 972 CE LYS A 65 -12.050 -1.644 10.014 1.00 41.43 C ATOM 973 NZ LYS A 65 -12.627 -0.381 10.528 1.00 22.41 N ATOM 0 H LYS A 65 -9.204 -4.699 10.076 1.00 44.43 H new ATOM 0 HA LYS A 65 -10.099 -5.675 7.580 1.00 73.12 H new ATOM 0 HB2 LYS A 65 -11.624 -4.023 7.701 1.00 73.33 H new ATOM 0 HB3 LYS A 65 -11.151 -4.079 9.387 1.00 73.33 H new ATOM 0 HG2 LYS A 65 -9.552 -2.212 9.028 1.00 23.23 H new ATOM 0 HG3 LYS A 65 -9.941 -2.182 7.320 1.00 23.23 H new ATOM 0 HD2 LYS A 65 -11.204 -0.417 8.455 1.00 51.44 H new ATOM 0 HD3 LYS A 65 -12.322 -1.636 7.874 1.00 51.44 H new ATOM 0 HE2 LYS A 65 -12.808 -2.428 10.024 1.00 41.43 H new ATOM 0 HE3 LYS A 65 -11.242 -1.974 10.667 1.00 41.43 H new ATOM 0 HZ1 LYS A 65 -12.981 -0.529 11.495 1.00 22.41 H new ATOM 0 HZ2 LYS A 65 -11.894 0.357 10.537 1.00 22.41 H new ATOM 0 HZ3 LYS A 65 -13.412 -0.083 9.914 1.00 22.41 H new ATOM 986 N LEU A 66 -7.496 -3.839 7.470 1.00 53.14 N ATOM 987 CA LEU A 66 -6.480 -3.273 6.599 1.00 72.15 C ATOM 988 C LEU A 66 -5.528 -4.382 6.146 1.00 51.24 C ATOM 989 O LEU A 66 -4.363 -4.122 5.849 1.00 50.40 O ATOM 990 CB LEU A 66 -5.777 -2.101 7.286 1.00 21.32 C ATOM 991 CG LEU A 66 -6.669 -0.925 7.686 1.00 13.42 C ATOM 992 CD1 LEU A 66 -5.842 0.208 8.298 1.00 72.22 C ATOM 993 CD2 LEU A 66 -7.509 -0.445 6.500 1.00 21.34 C ATOM 0 H LEU A 66 -7.225 -3.912 8.451 1.00 53.14 H new ATOM 0 HA LEU A 66 -6.937 -2.857 5.701 1.00 72.15 H new ATOM 0 HB2 LEU A 66 -5.280 -2.475 8.181 1.00 21.32 H new ATOM 0 HB3 LEU A 66 -4.998 -1.730 6.620 1.00 21.32 H new ATOM 0 HG LEU A 66 -7.362 -1.269 8.454 1.00 13.42 H new ATOM 0 HD11 LEU A 66 -6.501 1.032 8.573 1.00 72.22 H new ATOM 0 HD12 LEU A 66 -5.326 -0.157 9.186 1.00 72.22 H new ATOM 0 HD13 LEU A 66 -5.109 0.557 7.571 1.00 72.22 H new ATOM 0 HD21 LEU A 66 -8.134 0.392 6.812 1.00 21.34 H new ATOM 0 HD22 LEU A 66 -6.850 -0.125 5.693 1.00 21.34 H new ATOM 0 HD23 LEU A 66 -8.142 -1.260 6.149 1.00 21.34 H new ATOM 1005 N PHE A 67 -6.059 -5.595 6.107 1.00 54.14 N ATOM 1006 CA PHE A 67 -5.271 -6.744 5.695 1.00 74.22 C ATOM 1007 C PHE A 67 -5.041 -6.738 4.182 1.00 10.43 C ATOM 1008 O PHE A 67 -4.374 -7.623 3.649 1.00 41.55 O ATOM 1009 CB PHE A 67 -6.071 -7.993 6.071 1.00 11.15 C ATOM 1010 CG PHE A 67 -5.444 -9.302 5.589 1.00 73.45 C ATOM 1011 CD1 PHE A 67 -6.189 -10.192 4.879 1.00 14.11 C ATOM 1012 CD2 PHE A 67 -4.142 -9.577 5.869 1.00 51.13 C ATOM 1013 CE1 PHE A 67 -5.608 -11.407 4.431 1.00 63.30 C ATOM 1014 CE2 PHE A 67 -3.560 -10.792 5.421 1.00 74.34 C ATOM 1015 CZ PHE A 67 -4.306 -11.682 4.711 1.00 5.11 C ATOM 0 H PHE A 67 -7.026 -5.807 6.354 1.00 54.14 H new ATOM 0 HA PHE A 67 -4.297 -6.721 6.184 1.00 74.22 H new ATOM 0 HB2 PHE A 67 -6.178 -8.031 7.155 1.00 11.15 H new ATOM 0 HB3 PHE A 67 -7.075 -7.908 5.655 1.00 11.15 H new ATOM 0 HD1 PHE A 67 -7.223 -9.974 4.656 1.00 14.11 H new ATOM 0 HD2 PHE A 67 -3.550 -8.871 6.432 1.00 51.13 H new ATOM 0 HE1 PHE A 67 -6.200 -12.113 3.868 1.00 63.30 H new ATOM 0 HE2 PHE A 67 -2.526 -11.010 5.643 1.00 74.34 H new ATOM 0 HZ PHE A 67 -3.864 -12.607 4.370 1.00 5.11 H new ATOM 1025 N LEU A 68 -5.606 -5.729 3.534 1.00 21.52 N ATOM 1026 CA LEU A 68 -5.470 -5.596 2.094 1.00 75.03 C ATOM 1027 C LEU A 68 -4.743 -4.289 1.773 1.00 10.31 C ATOM 1028 O LEU A 68 -4.391 -4.036 0.622 1.00 65.50 O ATOM 1029 CB LEU A 68 -6.835 -5.723 1.413 1.00 21.41 C ATOM 1030 CG LEU A 68 -7.383 -7.145 1.269 1.00 5.23 C ATOM 1031 CD1 LEU A 68 -8.611 -7.169 0.357 1.00 23.53 C ATOM 1032 CD2 LEU A 68 -6.293 -8.106 0.790 1.00 72.23 C ATOM 0 H LEU A 68 -6.158 -4.997 3.980 1.00 21.52 H new ATOM 0 HA LEU A 68 -4.862 -6.407 1.693 1.00 75.03 H new ATOM 0 HB2 LEU A 68 -7.557 -5.132 1.977 1.00 21.41 H new ATOM 0 HB3 LEU A 68 -6.766 -5.279 0.420 1.00 21.41 H new ATOM 0 HG LEU A 68 -7.706 -7.489 2.252 1.00 5.23 H new ATOM 0 HD11 LEU A 68 -8.981 -8.191 0.271 1.00 23.53 H new ATOM 0 HD12 LEU A 68 -9.391 -6.535 0.780 1.00 23.53 H new ATOM 0 HD13 LEU A 68 -8.338 -6.798 -0.631 1.00 23.53 H new ATOM 0 HD21 LEU A 68 -6.708 -9.109 0.696 1.00 72.23 H new ATOM 0 HD22 LEU A 68 -5.917 -7.776 -0.179 1.00 72.23 H new ATOM 0 HD23 LEU A 68 -5.476 -8.118 1.511 1.00 72.23 H new ATOM 1044 N GLN A 69 -4.540 -3.492 2.812 1.00 41.22 N ATOM 1045 CA GLN A 69 -3.861 -2.217 2.655 1.00 2.34 C ATOM 1046 C GLN A 69 -2.348 -2.400 2.795 1.00 73.34 C ATOM 1047 O GLN A 69 -1.593 -1.433 2.721 1.00 4.42 O ATOM 1048 CB GLN A 69 -4.383 -1.190 3.662 1.00 35.00 C ATOM 1049 CG GLN A 69 -5.800 -0.739 3.300 1.00 41.10 C ATOM 1050 CD GLN A 69 -6.062 0.688 3.786 1.00 42.25 C ATOM 1051 OE1 GLN A 69 -5.186 1.370 4.292 1.00 65.15 O ATOM 1052 NE2 GLN A 69 -7.313 1.100 3.604 1.00 51.52 N ATOM 0 H GLN A 69 -4.834 -3.704 3.765 1.00 41.22 H new ATOM 0 HA GLN A 69 -4.071 -1.837 1.655 1.00 2.34 H new ATOM 0 HB2 GLN A 69 -4.379 -1.622 4.663 1.00 35.00 H new ATOM 0 HB3 GLN A 69 -3.717 -0.327 3.685 1.00 35.00 H new ATOM 0 HG2 GLN A 69 -5.937 -0.790 2.220 1.00 41.10 H new ATOM 0 HG3 GLN A 69 -6.527 -1.418 3.746 1.00 41.10 H new ATOM 0 HE21 GLN A 69 -7.997 0.478 3.174 1.00 51.52 H new ATOM 0 HE22 GLN A 69 -7.588 2.038 3.895 1.00 51.52 H new ATOM 1061 N ASN A 70 -1.952 -3.649 2.993 1.00 3.21 N ATOM 1062 CA ASN A 70 -0.543 -3.972 3.143 1.00 1.42 C ATOM 1063 C ASN A 70 0.084 -4.158 1.760 1.00 55.32 C ATOM 1064 O ASN A 70 1.164 -3.636 1.488 1.00 30.34 O ATOM 1065 CB ASN A 70 -0.356 -5.273 3.926 1.00 74.14 C ATOM 1066 CG ASN A 70 -0.795 -6.480 3.094 1.00 33.23 C ATOM 1067 OD1 ASN A 70 -2.094 -6.754 3.181 1.00 40.04 O flip ATOM 1068 ND2 ASN A 70 -0.007 -7.121 2.419 1.00 1.42 N flip ATOM 0 H ASN A 70 -2.582 -4.449 3.053 1.00 3.21 H new ATOM 0 HA ASN A 70 -0.066 -3.154 3.683 1.00 1.42 H new ATOM 0 HB2 ASN A 70 0.690 -5.384 4.210 1.00 74.14 H new ATOM 0 HB3 ASN A 70 -0.934 -5.233 4.849 1.00 74.14 H new ATOM 0 HD21 ASN A 70 0.978 -6.857 2.396 1.00 1.42 H new ATOM 0 HD22 ASN A 70 -0.333 -7.921 1.877 1.00 1.42 H new ATOM 1075 N PHE A 71 -0.622 -4.903 0.921 1.00 1.44 N ATOM 1076 CA PHE A 71 -0.148 -5.164 -0.427 1.00 75.03 C ATOM 1077 C PHE A 71 -0.473 -3.995 -1.359 1.00 15.52 C ATOM 1078 O PHE A 71 -0.221 -4.065 -2.561 1.00 10.14 O ATOM 1079 CB PHE A 71 -0.879 -6.414 -0.923 1.00 43.32 C ATOM 1080 CG PHE A 71 -0.704 -7.636 -0.020 1.00 24.21 C ATOM 1081 CD1 PHE A 71 0.532 -8.173 0.166 1.00 61.35 C ATOM 1082 CD2 PHE A 71 -1.784 -8.186 0.597 1.00 4.24 C ATOM 1083 CE1 PHE A 71 0.695 -9.308 1.004 1.00 55.13 C ATOM 1084 CE2 PHE A 71 -1.621 -9.320 1.436 1.00 71.53 C ATOM 1085 CZ PHE A 71 -0.385 -9.858 1.621 1.00 14.51 C ATOM 0 H PHE A 71 -1.518 -5.334 1.149 1.00 1.44 H new ATOM 0 HA PHE A 71 0.934 -5.299 -0.421 1.00 75.03 H new ATOM 0 HB2 PHE A 71 -1.942 -6.190 -1.012 1.00 43.32 H new ATOM 0 HB3 PHE A 71 -0.521 -6.659 -1.923 1.00 43.32 H new ATOM 0 HD1 PHE A 71 1.390 -7.736 -0.324 1.00 61.35 H new ATOM 0 HD2 PHE A 71 -2.765 -7.760 0.449 1.00 4.24 H new ATOM 0 HE1 PHE A 71 1.676 -9.734 1.151 1.00 55.13 H new ATOM 0 HE2 PHE A 71 -2.478 -9.756 1.927 1.00 71.53 H new ATOM 0 HZ PHE A 71 -0.262 -10.722 2.258 1.00 14.51 H new ATOM 1095 N LYS A 72 -1.029 -2.946 -0.769 1.00 23.33 N ATOM 1096 CA LYS A 72 -1.391 -1.763 -1.531 1.00 21.23 C ATOM 1097 C LYS A 72 -1.895 -0.681 -0.574 1.00 52.45 C ATOM 1098 O LYS A 72 -2.435 -0.988 0.487 1.00 2.44 O ATOM 1099 CB LYS A 72 -2.388 -2.121 -2.635 1.00 23.52 C ATOM 1100 CG LYS A 72 -2.591 -0.946 -3.593 1.00 2.23 C ATOM 1101 CD LYS A 72 -1.503 -0.920 -4.668 1.00 25.41 C ATOM 1102 CE LYS A 72 -1.731 -2.021 -5.705 1.00 72.35 C ATOM 1103 NZ LYS A 72 -2.825 -1.644 -6.629 1.00 22.23 N ATOM 0 H LYS A 72 -1.237 -2.891 0.228 1.00 23.33 H new ATOM 0 HA LYS A 72 -0.518 -1.356 -2.042 1.00 21.23 H new ATOM 0 HB2 LYS A 72 -2.027 -2.988 -3.189 1.00 23.52 H new ATOM 0 HB3 LYS A 72 -3.343 -2.402 -2.191 1.00 23.52 H new ATOM 0 HG2 LYS A 72 -3.571 -1.022 -4.064 1.00 2.23 H new ATOM 0 HG3 LYS A 72 -2.577 -0.010 -3.034 1.00 2.23 H new ATOM 0 HD2 LYS A 72 -1.496 0.052 -5.160 1.00 25.41 H new ATOM 0 HD3 LYS A 72 -0.525 -1.049 -4.204 1.00 25.41 H new ATOM 0 HE2 LYS A 72 -0.814 -2.193 -6.269 1.00 72.35 H new ATOM 0 HE3 LYS A 72 -1.977 -2.957 -5.203 1.00 72.35 H new ATOM 0 HZ1 LYS A 72 -2.856 -2.315 -7.423 1.00 22.23 H new ATOM 0 HZ2 LYS A 72 -3.732 -1.667 -6.121 1.00 22.23 H new ATOM 0 HZ3 LYS A 72 -2.657 -0.685 -6.993 1.00 22.23 H new ATOM 1116 N ALA A 73 -1.701 0.564 -0.985 1.00 74.05 N ATOM 1117 CA ALA A 73 -2.130 1.694 -0.179 1.00 22.14 C ATOM 1118 C ALA A 73 -3.439 2.250 -0.742 1.00 32.12 C ATOM 1119 O ALA A 73 -3.773 3.411 -0.514 1.00 15.50 O ATOM 1120 CB ALA A 73 -1.019 2.745 -0.141 1.00 24.13 C ATOM 0 H ALA A 73 -1.252 0.815 -1.866 1.00 74.05 H new ATOM 0 HA ALA A 73 -2.320 1.382 0.848 1.00 22.14 H new ATOM 0 HB1 ALA A 73 -1.341 3.593 0.464 1.00 24.13 H new ATOM 0 HB2 ALA A 73 -0.120 2.309 0.295 1.00 24.13 H new ATOM 0 HB3 ALA A 73 -0.803 3.083 -1.154 1.00 24.13 H new ATOM 1126 N GLY A 74 -4.145 1.394 -1.466 1.00 51.24 N ATOM 1127 CA GLY A 74 -5.411 1.785 -2.064 1.00 4.41 C ATOM 1128 C GLY A 74 -6.362 0.592 -2.163 1.00 74.50 C ATOM 1129 O GLY A 74 -7.323 0.621 -2.931 1.00 21.02 O ATOM 0 H GLY A 74 -3.865 0.431 -1.652 1.00 51.24 H new ATOM 0 HA2 GLY A 74 -5.871 2.573 -1.467 1.00 4.41 H new ATOM 0 HA3 GLY A 74 -5.236 2.198 -3.057 1.00 4.41 H new ATOM 1133 N ALA A 75 -6.062 -0.431 -1.375 1.00 55.42 N ATOM 1134 CA ALA A 75 -6.879 -1.632 -1.365 1.00 34.25 C ATOM 1135 C ALA A 75 -8.034 -1.450 -0.378 1.00 14.32 C ATOM 1136 O ALA A 75 -7.854 -0.878 0.696 1.00 5.21 O ATOM 1137 CB ALA A 75 -6.006 -2.841 -1.022 1.00 43.35 C ATOM 0 H ALA A 75 -5.265 -0.452 -0.739 1.00 55.42 H new ATOM 0 HA ALA A 75 -7.311 -1.810 -2.350 1.00 34.25 H new ATOM 0 HB1 ALA A 75 -6.619 -3.742 -1.015 1.00 43.35 H new ATOM 0 HB2 ALA A 75 -5.218 -2.944 -1.768 1.00 43.35 H new ATOM 0 HB3 ALA A 75 -5.558 -2.699 -0.039 1.00 43.35 H new ATOM 1143 N ARG A 76 -9.196 -1.946 -0.777 1.00 61.42 N ATOM 1144 CA ARG A 76 -10.380 -1.845 0.059 1.00 72.44 C ATOM 1145 C ARG A 76 -10.074 -2.338 1.474 1.00 13.04 C ATOM 1146 O ARG A 76 -8.945 -2.726 1.770 1.00 10.42 O ATOM 1147 CB ARG A 76 -11.535 -2.665 -0.521 1.00 22.11 C ATOM 1148 CG ARG A 76 -11.202 -4.158 -0.520 1.00 65.41 C ATOM 1149 CD ARG A 76 -12.466 -5.002 -0.346 1.00 22.24 C ATOM 1150 NE ARG A 76 -12.129 -6.441 -0.429 1.00 35.00 N ATOM 1151 CZ ARG A 76 -12.960 -7.436 -0.050 1.00 41.30 C ATOM 1152 NH1 ARG A 76 -12.556 -8.687 -0.168 1.00 41.32 N ATOM 1153 NH2 ARG A 76 -14.185 -7.155 0.443 1.00 51.04 N ATOM 0 H ARG A 76 -9.343 -2.419 -1.669 1.00 61.42 H new ATOM 0 HA ARG A 76 -10.674 -0.796 0.092 1.00 72.44 H new ATOM 0 HB2 ARG A 76 -12.439 -2.490 0.062 1.00 22.11 H new ATOM 0 HB3 ARG A 76 -11.744 -2.336 -1.539 1.00 22.11 H new ATOM 0 HG2 ARG A 76 -10.708 -4.425 -1.454 1.00 65.41 H new ATOM 0 HG3 ARG A 76 -10.501 -4.377 0.285 1.00 65.41 H new ATOM 0 HD2 ARG A 76 -12.930 -4.783 0.616 1.00 22.24 H new ATOM 0 HD3 ARG A 76 -13.194 -4.745 -1.116 1.00 22.24 H new ATOM 0 HE ARG A 76 -11.212 -6.697 -0.795 1.00 35.00 H new ATOM 0 HH11 ARG A 76 -11.629 -8.890 -0.541 1.00 41.32 H new ATOM 0 HH12 ARG A 76 -13.171 -9.450 0.114 1.00 41.32 H new ATOM 0 HH21 ARG A 76 -14.489 -6.185 0.532 1.00 51.04 H new ATOM 0 HH22 ARG A 76 -14.807 -7.912 0.727 1.00 51.04 H new ATOM 1166 N ALA A 77 -11.100 -2.307 2.312 1.00 14.20 N ATOM 1167 CA ALA A 77 -10.955 -2.745 3.690 1.00 74.43 C ATOM 1168 C ALA A 77 -11.980 -3.843 3.981 1.00 34.25 C ATOM 1169 O ALA A 77 -13.182 -3.633 3.823 1.00 31.40 O ATOM 1170 CB ALA A 77 -11.104 -1.545 4.626 1.00 15.32 C ATOM 0 H ALA A 77 -12.035 -1.985 2.063 1.00 14.20 H new ATOM 0 HA ALA A 77 -9.964 -3.166 3.857 1.00 74.43 H new ATOM 0 HB1 ALA A 77 -10.995 -1.874 5.659 1.00 15.32 H new ATOM 0 HB2 ALA A 77 -10.335 -0.807 4.397 1.00 15.32 H new ATOM 0 HB3 ALA A 77 -12.088 -1.097 4.490 1.00 15.32 H new ATOM 1176 N LEU A 78 -11.468 -4.990 4.403 1.00 70.13 N ATOM 1177 CA LEU A 78 -12.324 -6.121 4.718 1.00 21.20 C ATOM 1178 C LEU A 78 -13.532 -5.633 5.520 1.00 22.23 C ATOM 1179 O LEU A 78 -13.384 -4.853 6.459 1.00 5.34 O ATOM 1180 CB LEU A 78 -11.523 -7.220 5.420 1.00 41.15 C ATOM 1181 CG LEU A 78 -10.812 -8.220 4.505 1.00 11.30 C ATOM 1182 CD1 LEU A 78 -10.396 -7.559 3.189 1.00 22.24 C ATOM 1183 CD2 LEU A 78 -9.626 -8.870 5.220 1.00 12.03 C ATOM 0 H LEU A 78 -10.471 -5.160 4.534 1.00 70.13 H new ATOM 0 HA LEU A 78 -12.709 -6.573 3.804 1.00 21.20 H new ATOM 0 HB2 LEU A 78 -10.776 -6.747 6.058 1.00 41.15 H new ATOM 0 HB3 LEU A 78 -12.198 -7.772 6.074 1.00 41.15 H new ATOM 0 HG LEU A 78 -11.514 -9.016 4.258 1.00 11.30 H new ATOM 0 HD11 LEU A 78 -9.893 -8.291 2.557 1.00 22.24 H new ATOM 0 HD12 LEU A 78 -11.281 -7.183 2.675 1.00 22.24 H new ATOM 0 HD13 LEU A 78 -9.718 -6.731 3.396 1.00 22.24 H new ATOM 0 HD21 LEU A 78 -9.138 -9.576 4.548 1.00 12.03 H new ATOM 0 HD22 LEU A 78 -8.914 -8.100 5.517 1.00 12.03 H new ATOM 0 HD23 LEU A 78 -9.980 -9.398 6.106 1.00 12.03 H new ATOM 1195 N SER A 79 -14.700 -6.113 5.121 1.00 73.22 N ATOM 1196 CA SER A 79 -15.933 -5.736 5.791 1.00 51.42 C ATOM 1197 C SER A 79 -15.881 -6.160 7.260 1.00 54.01 C ATOM 1198 O SER A 79 -15.009 -6.930 7.657 1.00 64.41 O ATOM 1199 CB SER A 79 -17.148 -6.359 5.101 1.00 51.32 C ATOM 1200 OG SER A 79 -18.362 -5.709 5.468 1.00 50.44 O ATOM 0 H SER A 79 -14.819 -6.760 4.342 1.00 73.22 H new ATOM 0 HA SER A 79 -16.034 -4.652 5.736 1.00 51.42 H new ATOM 0 HB2 SER A 79 -17.019 -6.303 4.020 1.00 51.32 H new ATOM 0 HB3 SER A 79 -17.210 -7.416 5.360 1.00 51.32 H new ATOM 0 HG SER A 79 -19.114 -6.135 5.005 1.00 50.44 H new ATOM 1206 N ASP A 80 -16.827 -5.638 8.027 1.00 74.51 N ATOM 1207 CA ASP A 80 -16.901 -5.954 9.444 1.00 42.45 C ATOM 1208 C ASP A 80 -16.992 -7.471 9.620 1.00 52.40 C ATOM 1209 O ASP A 80 -16.713 -7.992 10.699 1.00 52.43 O ATOM 1210 CB ASP A 80 -18.141 -5.328 10.084 1.00 54.45 C ATOM 1211 CG ASP A 80 -19.369 -5.249 9.173 1.00 4.32 C ATOM 1212 OD1 ASP A 80 -19.570 -4.257 8.457 1.00 0.42 O ATOM 1213 OD2 ASP A 80 -20.148 -6.276 9.219 1.00 41.24 O ATOM 0 H ASP A 80 -17.549 -4.998 7.694 1.00 74.51 H new ATOM 0 HA ASP A 80 -16.008 -5.556 9.925 1.00 42.45 H new ATOM 0 HB2 ASP A 80 -18.403 -5.903 10.972 1.00 54.45 H new ATOM 0 HB3 ASP A 80 -17.890 -4.321 10.418 1.00 54.45 H new ATOM 1219 N ALA A 81 -17.384 -8.137 8.544 1.00 51.11 N ATOM 1220 CA ALA A 81 -17.516 -9.584 8.566 1.00 2.23 C ATOM 1221 C ALA A 81 -16.167 -10.220 8.223 1.00 53.31 C ATOM 1222 O ALA A 81 -15.586 -10.932 9.041 1.00 55.43 O ATOM 1223 CB ALA A 81 -18.624 -10.011 7.602 1.00 52.42 C ATOM 0 H ALA A 81 -17.615 -7.701 7.651 1.00 51.11 H new ATOM 0 HA ALA A 81 -17.800 -9.928 9.561 1.00 2.23 H new ATOM 0 HB1 ALA A 81 -18.723 -11.096 7.619 1.00 52.42 H new ATOM 0 HB2 ALA A 81 -19.567 -9.556 7.907 1.00 52.42 H new ATOM 0 HB3 ALA A 81 -18.374 -9.685 6.592 1.00 52.42 H new ATOM 1229 N GLU A 82 -15.708 -9.940 7.012 1.00 53.20 N ATOM 1230 CA GLU A 82 -14.439 -10.476 6.550 1.00 10.44 C ATOM 1231 C GLU A 82 -13.366 -10.299 7.626 1.00 23.33 C ATOM 1232 O GLU A 82 -12.586 -11.215 7.887 1.00 54.34 O ATOM 1233 CB GLU A 82 -14.012 -9.818 5.237 1.00 64.13 C ATOM 1234 CG GLU A 82 -14.978 -10.175 4.105 1.00 2.32 C ATOM 1235 CD GLU A 82 -16.111 -9.151 4.009 1.00 33.42 C ATOM 1236 OE1 GLU A 82 -17.233 -9.425 4.462 1.00 40.42 O ATOM 1237 OE2 GLU A 82 -15.794 -8.038 3.441 1.00 3.30 O ATOM 0 H GLU A 82 -16.192 -9.349 6.337 1.00 53.20 H new ATOM 0 HA GLU A 82 -14.564 -11.542 6.360 1.00 10.44 H new ATOM 0 HB2 GLU A 82 -13.978 -8.736 5.363 1.00 64.13 H new ATOM 0 HB3 GLU A 82 -13.004 -10.141 4.975 1.00 64.13 H new ATOM 0 HG2 GLU A 82 -14.437 -10.214 3.159 1.00 2.32 H new ATOM 0 HG3 GLU A 82 -15.394 -11.168 4.276 1.00 2.32 H new ATOM 1245 N THR A 83 -13.360 -9.116 8.223 1.00 64.23 N ATOM 1246 CA THR A 83 -12.395 -8.808 9.265 1.00 63.24 C ATOM 1247 C THR A 83 -12.646 -9.678 10.498 1.00 63.12 C ATOM 1248 O THR A 83 -11.716 -9.995 11.238 1.00 62.52 O ATOM 1249 CB THR A 83 -12.473 -7.308 9.553 1.00 13.22 C ATOM 1250 OG1 THR A 83 -11.926 -6.701 8.386 1.00 2.41 O ATOM 1251 CG2 THR A 83 -11.527 -6.877 10.676 1.00 73.01 C ATOM 0 H THR A 83 -14.008 -8.359 8.005 1.00 64.23 H new ATOM 0 HA THR A 83 -11.379 -9.039 8.945 1.00 63.24 H new ATOM 0 HB THR A 83 -13.496 -7.043 9.819 1.00 13.22 H new ATOM 0 HG1 THR A 83 -12.598 -6.118 7.975 1.00 2.41 H new ATOM 0 HG21 THR A 83 -11.622 -5.804 10.840 1.00 73.01 H new ATOM 0 HG22 THR A 83 -11.784 -7.408 11.592 1.00 73.01 H new ATOM 0 HG23 THR A 83 -10.500 -7.112 10.397 1.00 73.01 H new ATOM 1259 N LYS A 84 -13.907 -10.039 10.681 1.00 72.10 N ATOM 1260 CA LYS A 84 -14.292 -10.866 11.812 1.00 74.21 C ATOM 1261 C LYS A 84 -13.770 -12.289 11.599 1.00 11.53 C ATOM 1262 O LYS A 84 -13.274 -12.918 12.533 1.00 52.53 O ATOM 1263 CB LYS A 84 -15.804 -10.794 12.039 1.00 43.43 C ATOM 1264 CG LYS A 84 -16.153 -9.715 13.067 1.00 64.24 C ATOM 1265 CD LYS A 84 -17.668 -9.537 13.181 1.00 41.40 C ATOM 1266 CE LYS A 84 -18.023 -8.589 14.329 1.00 71.52 C ATOM 1267 NZ LYS A 84 -19.347 -7.969 14.098 1.00 31.53 N ATOM 0 H LYS A 84 -14.676 -9.774 10.065 1.00 72.10 H new ATOM 0 HA LYS A 84 -13.837 -10.492 12.729 1.00 74.21 H new ATOM 0 HB2 LYS A 84 -16.307 -10.580 11.096 1.00 43.43 H new ATOM 0 HB3 LYS A 84 -16.170 -11.761 12.383 1.00 43.43 H new ATOM 0 HG2 LYS A 84 -15.741 -9.987 14.039 1.00 64.24 H new ATOM 0 HG3 LYS A 84 -15.693 -8.770 12.778 1.00 64.24 H new ATOM 0 HD2 LYS A 84 -18.063 -9.144 12.244 1.00 41.40 H new ATOM 0 HD3 LYS A 84 -18.140 -10.506 13.345 1.00 41.40 H new ATOM 0 HE2 LYS A 84 -18.031 -9.136 15.272 1.00 71.52 H new ATOM 0 HE3 LYS A 84 -17.262 -7.814 14.417 1.00 71.52 H new ATOM 0 HZ1 LYS A 84 -19.573 -7.329 14.886 1.00 31.53 H new ATOM 0 HZ2 LYS A 84 -19.328 -7.430 13.209 1.00 31.53 H new ATOM 0 HZ3 LYS A 84 -20.072 -8.712 14.037 1.00 31.53 H new ATOM 1280 N ALA A 85 -13.899 -12.754 10.366 1.00 54.15 N ATOM 1281 CA ALA A 85 -13.447 -14.090 10.018 1.00 24.25 C ATOM 1282 C ALA A 85 -11.924 -14.158 10.147 1.00 5.44 C ATOM 1283 O ALA A 85 -11.389 -15.076 10.767 1.00 35.02 O ATOM 1284 CB ALA A 85 -13.929 -14.443 8.610 1.00 44.01 C ATOM 0 H ALA A 85 -14.311 -12.229 9.594 1.00 54.15 H new ATOM 0 HA ALA A 85 -13.869 -14.827 10.701 1.00 24.25 H new ATOM 0 HB1 ALA A 85 -13.589 -15.446 8.350 1.00 44.01 H new ATOM 0 HB2 ALA A 85 -15.018 -14.409 8.579 1.00 44.01 H new ATOM 0 HB3 ALA A 85 -13.524 -13.726 7.896 1.00 44.01 H new ATOM 1290 N PHE A 86 -11.267 -13.173 9.552 1.00 11.40 N ATOM 1291 CA PHE A 86 -9.816 -13.108 9.593 1.00 71.55 C ATOM 1292 C PHE A 86 -9.318 -12.862 11.018 1.00 24.40 C ATOM 1293 O PHE A 86 -8.139 -13.059 11.310 1.00 50.11 O ATOM 1294 CB PHE A 86 -9.396 -11.933 8.708 1.00 65.21 C ATOM 1295 CG PHE A 86 -7.888 -11.849 8.461 1.00 41.24 C ATOM 1296 CD1 PHE A 86 -7.161 -12.987 8.297 1.00 1.41 C ATOM 1297 CD2 PHE A 86 -7.275 -10.636 8.404 1.00 21.22 C ATOM 1298 CE1 PHE A 86 -5.762 -12.908 8.068 1.00 61.34 C ATOM 1299 CE2 PHE A 86 -5.876 -10.558 8.175 1.00 43.22 C ATOM 1300 CZ PHE A 86 -5.149 -11.696 8.011 1.00 3.43 C ATOM 0 H PHE A 86 -11.713 -12.413 9.039 1.00 11.40 H new ATOM 0 HA PHE A 86 -9.391 -14.050 9.247 1.00 71.55 H new ATOM 0 HB2 PHE A 86 -9.907 -12.013 7.749 1.00 65.21 H new ATOM 0 HB3 PHE A 86 -9.730 -11.005 9.171 1.00 65.21 H new ATOM 0 HD1 PHE A 86 -7.648 -13.950 8.341 1.00 1.41 H new ATOM 0 HD2 PHE A 86 -7.852 -9.732 8.533 1.00 21.22 H new ATOM 0 HE1 PHE A 86 -5.184 -13.811 7.939 1.00 61.34 H new ATOM 0 HE2 PHE A 86 -5.389 -9.595 8.131 1.00 43.22 H new ATOM 0 HZ PHE A 86 -4.085 -11.637 7.836 1.00 3.43 H new ATOM 1310 N LEU A 87 -10.240 -12.436 11.868 1.00 72.00 N ATOM 1311 CA LEU A 87 -9.909 -12.161 13.256 1.00 73.11 C ATOM 1312 C LEU A 87 -9.964 -13.464 14.056 1.00 11.24 C ATOM 1313 O LEU A 87 -8.982 -13.851 14.687 1.00 4.43 O ATOM 1314 CB LEU A 87 -10.811 -11.058 13.813 1.00 33.24 C ATOM 1315 CG LEU A 87 -10.655 -10.754 15.305 1.00 74.12 C ATOM 1316 CD1 LEU A 87 -9.249 -10.238 15.615 1.00 22.40 C ATOM 1317 CD2 LEU A 87 -11.739 -9.786 15.783 1.00 13.02 C ATOM 0 H LEU A 87 -11.217 -12.274 11.622 1.00 72.00 H new ATOM 0 HA LEU A 87 -8.891 -11.779 13.337 1.00 73.11 H new ATOM 0 HB2 LEU A 87 -10.619 -10.142 13.254 1.00 33.24 H new ATOM 0 HB3 LEU A 87 -11.848 -11.335 13.625 1.00 33.24 H new ATOM 0 HG LEU A 87 -10.786 -11.684 15.859 1.00 74.12 H new ATOM 0 HD11 LEU A 87 -9.165 -10.030 16.682 1.00 22.40 H new ATOM 0 HD12 LEU A 87 -8.514 -10.992 15.334 1.00 22.40 H new ATOM 0 HD13 LEU A 87 -9.064 -9.324 15.051 1.00 22.40 H new ATOM 0 HD21 LEU A 87 -11.606 -9.587 16.846 1.00 13.02 H new ATOM 0 HD22 LEU A 87 -11.664 -8.852 15.226 1.00 13.02 H new ATOM 0 HD23 LEU A 87 -12.721 -10.229 15.617 1.00 13.02 H new ATOM 1329 N LYS A 88 -11.123 -14.104 14.005 1.00 64.43 N ATOM 1330 CA LYS A 88 -11.318 -15.356 14.717 1.00 14.53 C ATOM 1331 C LYS A 88 -10.535 -16.466 14.014 1.00 12.11 C ATOM 1332 O LYS A 88 -10.249 -17.503 14.611 1.00 12.52 O ATOM 1333 CB LYS A 88 -12.811 -15.657 14.870 1.00 64.31 C ATOM 1334 CG LYS A 88 -13.363 -15.051 16.161 1.00 33.04 C ATOM 1335 CD LYS A 88 -14.891 -14.984 16.126 1.00 75.34 C ATOM 1336 CE LYS A 88 -15.507 -16.346 16.453 1.00 75.15 C ATOM 1337 NZ LYS A 88 -15.152 -16.759 17.829 1.00 53.42 N ATOM 0 H LYS A 88 -11.936 -13.779 13.482 1.00 64.43 H new ATOM 0 HA LYS A 88 -10.925 -15.283 15.731 1.00 14.53 H new ATOM 0 HB2 LYS A 88 -13.356 -15.257 14.015 1.00 64.31 H new ATOM 0 HB3 LYS A 88 -12.970 -16.735 14.873 1.00 64.31 H new ATOM 0 HG2 LYS A 88 -13.041 -15.648 17.014 1.00 33.04 H new ATOM 0 HG3 LYS A 88 -12.955 -14.050 16.301 1.00 33.04 H new ATOM 0 HD2 LYS A 88 -15.242 -14.241 16.842 1.00 75.34 H new ATOM 0 HD3 LYS A 88 -15.222 -14.659 15.140 1.00 75.34 H new ATOM 0 HE2 LYS A 88 -16.591 -16.295 16.351 1.00 75.15 H new ATOM 0 HE3 LYS A 88 -15.154 -17.092 15.741 1.00 75.15 H new ATOM 0 HZ1 LYS A 88 -15.870 -17.419 18.189 1.00 53.42 H new ATOM 0 HZ2 LYS A 88 -14.223 -17.227 17.822 1.00 53.42 H new ATOM 0 HZ3 LYS A 88 -15.113 -15.921 18.444 1.00 53.42 H new ATOM 1350 N ALA A 89 -10.211 -16.211 12.755 1.00 25.01 N ATOM 1351 CA ALA A 89 -9.466 -17.176 11.964 1.00 21.12 C ATOM 1352 C ALA A 89 -8.095 -17.404 12.604 1.00 31.42 C ATOM 1353 O ALA A 89 -7.608 -18.533 12.651 1.00 13.04 O ATOM 1354 CB ALA A 89 -9.360 -16.680 10.521 1.00 72.34 C ATOM 0 H ALA A 89 -10.451 -15.350 12.263 1.00 25.01 H new ATOM 0 HA ALA A 89 -9.983 -18.135 11.942 1.00 21.12 H new ATOM 0 HB1 ALA A 89 -8.801 -17.404 9.928 1.00 72.34 H new ATOM 0 HB2 ALA A 89 -10.360 -16.562 10.102 1.00 72.34 H new ATOM 0 HB3 ALA A 89 -8.844 -15.720 10.503 1.00 72.34 H new ATOM 1360 N GLY A 90 -7.511 -16.315 13.081 1.00 53.32 N ATOM 1361 CA GLY A 90 -6.206 -16.382 13.716 1.00 51.21 C ATOM 1362 C GLY A 90 -6.311 -16.096 15.215 1.00 23.35 C ATOM 1363 O GLY A 90 -5.873 -16.901 16.036 1.00 34.42 O ATOM 0 H GLY A 90 -7.918 -15.381 13.040 1.00 53.32 H new ATOM 0 HA2 GLY A 90 -5.772 -17.370 13.560 1.00 51.21 H new ATOM 0 HA3 GLY A 90 -5.534 -15.661 13.251 1.00 51.21 H new ATOM 1367 N ASP A 91 -6.893 -14.948 15.528 1.00 42.25 N ATOM 1368 CA ASP A 91 -7.060 -14.546 16.914 1.00 75.12 C ATOM 1369 C ASP A 91 -7.841 -15.628 17.663 1.00 24.21 C ATOM 1370 O ASP A 91 -9.065 -15.696 17.565 1.00 1.14 O ATOM 1371 CB ASP A 91 -7.848 -13.238 17.017 1.00 60.50 C ATOM 1372 CG ASP A 91 -7.435 -12.324 18.172 1.00 64.01 C ATOM 1373 OD1 ASP A 91 -6.269 -12.315 18.593 1.00 5.14 O ATOM 1374 OD2 ASP A 91 -8.380 -11.588 18.650 1.00 33.41 O ATOM 0 H ASP A 91 -7.255 -14.283 14.845 1.00 42.25 H new ATOM 0 HA ASP A 91 -6.069 -14.405 17.346 1.00 75.12 H new ATOM 0 HB2 ASP A 91 -7.736 -12.690 16.082 1.00 60.50 H new ATOM 0 HB3 ASP A 91 -8.906 -13.476 17.123 1.00 60.50 H new ATOM 1380 N SER A 92 -7.100 -16.448 18.394 1.00 3.34 N ATOM 1381 CA SER A 92 -7.707 -17.523 19.160 1.00 64.31 C ATOM 1382 C SER A 92 -7.970 -17.061 20.594 1.00 14.52 C ATOM 1383 O SER A 92 -8.383 -17.792 21.472 1.00 21.23 O ATOM 1384 CB SER A 92 -6.819 -18.769 19.159 1.00 65.11 C ATOM 1385 OG SER A 92 -7.565 -19.957 19.408 1.00 71.13 O ATOM 0 H SER A 92 -6.085 -16.389 18.472 1.00 3.34 H new ATOM 0 HA SER A 92 -8.655 -17.784 18.690 1.00 64.31 H new ATOM 0 HB2 SER A 92 -6.314 -18.853 18.197 1.00 65.11 H new ATOM 0 HB3 SER A 92 -6.044 -18.662 19.918 1.00 65.11 H new ATOM 0 HG SER A 92 -6.962 -20.730 19.398 1.00 71.13 H new ATOM 1391 N ASP A 93 -7.719 -15.801 20.822 1.00 20.00 N ATOM 1392 CA ASP A 93 -7.941 -15.227 22.179 1.00 53.21 C ATOM 1393 C ASP A 93 -8.896 -14.031 22.092 1.00 61.44 C ATOM 1394 O ASP A 93 -9.105 -13.385 23.117 1.00 24.33 O ATOM 1395 CB ASP A 93 -6.558 -14.776 22.649 1.00 20.04 C ATOM 1396 CG ASP A 93 -5.756 -14.255 21.456 1.00 54.53 C ATOM 1397 OD1 ASP A 93 -6.329 -13.541 20.648 1.00 72.11 O ATOM 1398 OD2 ASP A 93 -4.583 -14.578 21.367 1.00 51.32 O ATOM 0 H ASP A 93 -7.369 -15.143 20.126 1.00 20.00 H new ATOM 0 HA ASP A 93 -8.389 -15.945 22.866 1.00 53.21 H new ATOM 0 HB2 ASP A 93 -6.656 -13.995 23.403 1.00 20.04 H new ATOM 0 HB3 ASP A 93 -6.033 -15.608 23.118 1.00 20.04 H new ATOM 1403 N GLY A 94 -9.437 -13.763 20.912 1.00 4.43 N ATOM 1404 CA GLY A 94 -10.348 -12.643 20.744 1.00 22.34 C ATOM 1405 C GLY A 94 -9.911 -11.448 21.594 1.00 31.44 C ATOM 1406 O GLY A 94 -10.569 -11.107 22.576 1.00 1.10 O ATOM 0 H GLY A 94 -9.262 -14.302 20.064 1.00 4.43 H new ATOM 0 HA2 GLY A 94 -10.384 -12.353 19.694 1.00 22.34 H new ATOM 0 HA3 GLY A 94 -11.357 -12.945 21.026 1.00 22.34 H new ATOM 1410 N ASP A 95 -8.804 -10.846 21.186 1.00 10.23 N ATOM 1411 CA ASP A 95 -8.272 -9.696 21.898 1.00 23.31 C ATOM 1412 C ASP A 95 -8.412 -8.450 21.022 1.00 2.31 C ATOM 1413 O ASP A 95 -7.912 -7.382 21.372 1.00 45.35 O ATOM 1414 CB ASP A 95 -6.787 -9.885 22.218 1.00 75.35 C ATOM 1415 CG ASP A 95 -6.450 -11.162 22.990 1.00 64.35 C ATOM 1416 OD1 ASP A 95 -5.546 -11.920 22.606 1.00 20.03 O ATOM 1417 OD2 ASP A 95 -7.168 -11.370 24.041 1.00 72.25 O ATOM 0 H ASP A 95 -8.261 -11.133 20.372 1.00 10.23 H new ATOM 0 HA ASP A 95 -8.830 -9.587 22.828 1.00 23.31 H new ATOM 0 HB2 ASP A 95 -6.226 -9.885 21.283 1.00 75.35 H new ATOM 0 HB3 ASP A 95 -6.443 -9.027 22.796 1.00 75.35 H new ATOM 1423 N GLY A 96 -9.095 -8.627 19.901 1.00 63.32 N ATOM 1424 CA GLY A 96 -9.307 -7.530 18.972 1.00 21.11 C ATOM 1425 C GLY A 96 -8.017 -7.187 18.224 1.00 22.33 C ATOM 1426 O GLY A 96 -7.988 -6.252 17.426 1.00 5.33 O ATOM 0 H GLY A 96 -9.509 -9.514 19.615 1.00 63.32 H new ATOM 0 HA2 GLY A 96 -10.085 -7.799 18.258 1.00 21.11 H new ATOM 0 HA3 GLY A 96 -9.661 -6.653 19.514 1.00 21.11 H new ATOM 1430 N LYS A 97 -6.981 -7.963 18.509 1.00 35.41 N ATOM 1431 CA LYS A 97 -5.692 -7.754 17.874 1.00 43.45 C ATOM 1432 C LYS A 97 -5.137 -9.098 17.400 1.00 63.50 C ATOM 1433 O LYS A 97 -5.517 -10.148 17.917 1.00 1.31 O ATOM 1434 CB LYS A 97 -4.750 -6.995 18.811 1.00 63.14 C ATOM 1435 CG LYS A 97 -5.470 -5.824 19.482 1.00 30.22 C ATOM 1436 CD LYS A 97 -4.735 -5.382 20.749 1.00 20.33 C ATOM 1437 CE LYS A 97 -3.219 -5.438 20.551 1.00 21.02 C ATOM 1438 NZ LYS A 97 -2.560 -4.334 21.284 1.00 25.34 N ATOM 0 H LYS A 97 -7.009 -8.738 19.172 1.00 35.41 H new ATOM 0 HA LYS A 97 -5.800 -7.125 16.990 1.00 43.45 H new ATOM 0 HB2 LYS A 97 -4.364 -7.673 19.572 1.00 63.14 H new ATOM 0 HB3 LYS A 97 -3.892 -6.625 18.249 1.00 63.14 H new ATOM 0 HG2 LYS A 97 -5.538 -4.988 18.786 1.00 30.22 H new ATOM 0 HG3 LYS A 97 -6.490 -6.115 19.732 1.00 30.22 H new ATOM 0 HD2 LYS A 97 -5.034 -4.367 21.012 1.00 20.33 H new ATOM 0 HD3 LYS A 97 -5.021 -6.024 21.582 1.00 20.33 H new ATOM 0 HE2 LYS A 97 -2.835 -6.396 20.902 1.00 21.02 H new ATOM 0 HE3 LYS A 97 -2.982 -5.370 19.489 1.00 21.02 H new ATOM 0 HZ1 LYS A 97 -1.531 -4.386 21.139 1.00 25.34 H new ATOM 0 HZ2 LYS A 97 -2.914 -3.422 20.930 1.00 25.34 H new ATOM 0 HZ3 LYS A 97 -2.771 -4.416 22.299 1.00 25.34 H new ATOM 1451 N ILE A 98 -4.246 -9.024 16.422 1.00 52.52 N ATOM 1452 CA ILE A 98 -3.635 -10.222 15.873 1.00 50.03 C ATOM 1453 C ILE A 98 -2.113 -10.066 15.888 1.00 51.11 C ATOM 1454 O ILE A 98 -1.552 -9.339 15.070 1.00 41.32 O ATOM 1455 CB ILE A 98 -4.208 -10.529 14.488 1.00 61.14 C ATOM 1456 CG1 ILE A 98 -5.561 -11.234 14.598 1.00 33.31 C ATOM 1457 CG2 ILE A 98 -3.211 -11.330 13.647 1.00 12.03 C ATOM 1458 CD1 ILE A 98 -5.907 -11.963 13.298 1.00 35.22 C ATOM 0 H ILE A 98 -3.933 -8.152 15.996 1.00 52.52 H new ATOM 0 HA ILE A 98 -3.873 -11.088 16.490 1.00 50.03 H new ATOM 0 HB ILE A 98 -4.378 -9.584 13.972 1.00 61.14 H new ATOM 0 HG12 ILE A 98 -5.538 -11.946 15.423 1.00 33.31 H new ATOM 0 HG13 ILE A 98 -6.338 -10.504 14.828 1.00 33.31 H new ATOM 0 HG21 ILE A 98 -3.643 -11.535 12.668 1.00 12.03 H new ATOM 0 HG22 ILE A 98 -2.293 -10.755 13.526 1.00 12.03 H new ATOM 0 HG23 ILE A 98 -2.986 -12.271 14.148 1.00 12.03 H new ATOM 0 HD11 ILE A 98 -6.874 -12.456 13.403 1.00 35.22 H new ATOM 0 HD12 ILE A 98 -5.953 -11.245 12.479 1.00 35.22 H new ATOM 0 HD13 ILE A 98 -5.141 -12.709 13.084 1.00 35.22 H new ATOM 1470 N GLY A 99 -1.488 -10.760 16.827 1.00 34.44 N ATOM 1471 CA GLY A 99 -0.042 -10.708 16.960 1.00 73.11 C ATOM 1472 C GLY A 99 0.639 -11.524 15.860 1.00 60.43 C ATOM 1473 O GLY A 99 0.005 -11.892 14.872 1.00 61.40 O ATOM 0 H GLY A 99 -1.957 -11.362 17.504 1.00 34.44 H new ATOM 0 HA2 GLY A 99 0.294 -9.672 16.911 1.00 73.11 H new ATOM 0 HA3 GLY A 99 0.251 -11.092 17.937 1.00 73.11 H new ATOM 1477 N ILE A 100 1.922 -11.783 16.068 1.00 74.44 N ATOM 1478 CA ILE A 100 2.696 -12.549 15.106 1.00 71.43 C ATOM 1479 C ILE A 100 2.486 -14.043 15.362 1.00 73.01 C ATOM 1480 O ILE A 100 2.405 -14.832 14.422 1.00 22.40 O ATOM 1481 CB ILE A 100 4.164 -12.121 15.137 1.00 43.30 C ATOM 1482 CG1 ILE A 100 4.768 -12.131 13.731 1.00 5.43 C ATOM 1483 CG2 ILE A 100 4.967 -12.985 16.112 1.00 51.41 C ATOM 1484 CD1 ILE A 100 4.869 -13.557 13.188 1.00 61.32 C ATOM 0 H ILE A 100 2.445 -11.476 16.888 1.00 74.44 H new ATOM 0 HA ILE A 100 2.350 -12.347 14.092 1.00 71.43 H new ATOM 0 HB ILE A 100 4.213 -11.095 15.501 1.00 43.30 H new ATOM 0 HG12 ILE A 100 4.154 -11.526 13.063 1.00 5.43 H new ATOM 0 HG13 ILE A 100 5.758 -11.676 13.753 1.00 5.43 H new ATOM 0 HG21 ILE A 100 6.007 -12.660 16.115 1.00 51.41 H new ATOM 0 HG22 ILE A 100 4.552 -12.883 17.115 1.00 51.41 H new ATOM 0 HG23 ILE A 100 4.914 -14.029 15.802 1.00 51.41 H new ATOM 0 HD11 ILE A 100 5.301 -13.536 12.188 1.00 61.32 H new ATOM 0 HD12 ILE A 100 5.503 -14.152 13.845 1.00 61.32 H new ATOM 0 HD13 ILE A 100 3.874 -14.001 13.144 1.00 61.32 H new ATOM 1496 N ASP A 101 2.403 -14.386 16.639 1.00 54.20 N ATOM 1497 CA ASP A 101 2.203 -15.771 17.031 1.00 43.23 C ATOM 1498 C ASP A 101 0.810 -16.225 16.592 1.00 14.31 C ATOM 1499 O ASP A 101 0.569 -17.418 16.412 1.00 45.41 O ATOM 1500 CB ASP A 101 2.297 -15.933 18.549 1.00 2.42 C ATOM 1501 CG ASP A 101 3.245 -14.955 19.246 1.00 1.33 C ATOM 1502 OD1 ASP A 101 2.818 -14.118 20.056 1.00 73.22 O ATOM 1503 OD2 ASP A 101 4.488 -15.077 18.924 1.00 23.45 O ATOM 0 H ASP A 101 2.471 -13.729 17.416 1.00 54.20 H new ATOM 0 HA ASP A 101 2.979 -16.371 16.556 1.00 43.23 H new ATOM 0 HB2 ASP A 101 1.300 -15.815 18.974 1.00 2.42 H new ATOM 0 HB3 ASP A 101 2.620 -16.950 18.771 1.00 2.42 H new ATOM 1509 N GLU A 102 -0.073 -15.249 16.433 1.00 22.31 N ATOM 1510 CA GLU A 102 -1.436 -15.534 16.019 1.00 52.40 C ATOM 1511 C GLU A 102 -1.567 -15.408 14.500 1.00 63.33 C ATOM 1512 O GLU A 102 -2.223 -16.229 13.860 1.00 44.33 O ATOM 1513 CB GLU A 102 -2.429 -14.614 16.732 1.00 0.42 C ATOM 1514 CG GLU A 102 -2.734 -15.124 18.142 1.00 74.11 C ATOM 1515 CD GLU A 102 -3.234 -13.990 19.039 1.00 35.33 C ATOM 1516 OE1 GLU A 102 -4.471 -13.816 19.097 1.00 1.23 O ATOM 1517 OE2 GLU A 102 -2.369 -13.324 19.647 1.00 51.31 O ATOM 0 H GLU A 102 0.129 -14.261 16.583 1.00 22.31 H new ATOM 0 HA GLU A 102 -1.673 -16.560 16.301 1.00 52.40 H new ATOM 0 HB2 GLU A 102 -2.020 -13.605 16.787 1.00 0.42 H new ATOM 0 HB3 GLU A 102 -3.352 -14.553 16.156 1.00 0.42 H new ATOM 0 HG2 GLU A 102 -3.486 -15.912 18.093 1.00 74.11 H new ATOM 0 HG3 GLU A 102 -1.837 -15.566 18.575 1.00 74.11 H new ATOM 1524 N PHE A 103 -0.932 -14.375 13.967 1.00 44.15 N ATOM 1525 CA PHE A 103 -0.968 -14.132 12.534 1.00 15.34 C ATOM 1526 C PHE A 103 -0.185 -15.205 11.776 1.00 75.04 C ATOM 1527 O PHE A 103 -0.516 -15.531 10.636 1.00 0.34 O ATOM 1528 CB PHE A 103 -0.310 -12.772 12.295 1.00 41.33 C ATOM 1529 CG PHE A 103 0.070 -12.513 10.835 1.00 13.33 C ATOM 1530 CD1 PHE A 103 1.376 -12.541 10.457 1.00 32.41 C ATOM 1531 CD2 PHE A 103 -0.899 -12.254 9.916 1.00 2.24 C ATOM 1532 CE1 PHE A 103 1.728 -12.301 9.103 1.00 61.03 C ATOM 1533 CE2 PHE A 103 -0.546 -12.013 8.562 1.00 75.40 C ATOM 1534 CZ PHE A 103 0.760 -12.042 8.184 1.00 74.13 C ATOM 0 H PHE A 103 -0.389 -13.696 14.501 1.00 44.15 H new ATOM 0 HA PHE A 103 -1.998 -14.154 12.178 1.00 15.34 H new ATOM 0 HB2 PHE A 103 -0.990 -11.987 12.628 1.00 41.33 H new ATOM 0 HB3 PHE A 103 0.586 -12.700 12.911 1.00 41.33 H new ATOM 0 HD1 PHE A 103 2.145 -12.746 11.187 1.00 32.41 H new ATOM 0 HD2 PHE A 103 -1.936 -12.232 10.216 1.00 2.24 H new ATOM 0 HE1 PHE A 103 2.765 -12.324 8.803 1.00 61.03 H new ATOM 0 HE2 PHE A 103 -1.315 -11.807 7.832 1.00 75.40 H new ATOM 0 HZ PHE A 103 1.028 -11.859 7.154 1.00 74.13 H new ATOM 1544 N ALA A 104 0.838 -15.725 12.438 1.00 75.03 N ATOM 1545 CA ALA A 104 1.670 -16.755 11.840 1.00 42.11 C ATOM 1546 C ALA A 104 1.054 -18.128 12.117 1.00 10.41 C ATOM 1547 O ALA A 104 1.515 -19.137 11.588 1.00 63.53 O ATOM 1548 CB ALA A 104 3.097 -16.636 12.381 1.00 75.12 C ATOM 0 H ALA A 104 1.110 -15.452 13.383 1.00 75.03 H new ATOM 0 HA ALA A 104 1.719 -16.629 10.758 1.00 42.11 H new ATOM 0 HB1 ALA A 104 3.722 -17.409 11.933 1.00 75.12 H new ATOM 0 HB2 ALA A 104 3.500 -15.654 12.132 1.00 75.12 H new ATOM 0 HB3 ALA A 104 3.087 -16.760 13.464 1.00 75.12 H new ATOM 1554 N ALA A 105 0.021 -18.120 12.947 1.00 72.35 N ATOM 1555 CA ALA A 105 -0.663 -19.352 13.300 1.00 35.34 C ATOM 1556 C ALA A 105 -1.647 -19.722 12.189 1.00 53.35 C ATOM 1557 O ALA A 105 -1.590 -20.824 11.645 1.00 51.42 O ATOM 1558 CB ALA A 105 -1.352 -19.183 14.656 1.00 54.41 C ATOM 0 H ALA A 105 -0.358 -17.280 13.385 1.00 72.35 H new ATOM 0 HA ALA A 105 0.049 -20.172 13.395 1.00 35.34 H new ATOM 0 HB1 ALA A 105 -1.865 -20.107 14.921 1.00 54.41 H new ATOM 0 HB2 ALA A 105 -0.606 -18.951 15.417 1.00 54.41 H new ATOM 0 HB3 ALA A 105 -2.076 -18.370 14.598 1.00 54.41 H new ATOM 1564 N MET A 106 -2.527 -18.779 11.884 1.00 72.25 N ATOM 1565 CA MET A 106 -3.522 -18.992 10.846 1.00 12.22 C ATOM 1566 C MET A 106 -2.878 -19.547 9.574 1.00 33.43 C ATOM 1567 O MET A 106 -3.552 -20.168 8.754 1.00 61.45 O ATOM 1568 CB MET A 106 -4.220 -17.668 10.529 1.00 41.42 C ATOM 1569 CG MET A 106 -3.200 -16.575 10.203 1.00 43.22 C ATOM 1570 SD MET A 106 -3.931 -14.965 10.446 1.00 10.20 S ATOM 1571 CE MET A 106 -5.580 -15.279 9.840 1.00 14.22 C ATOM 0 H MET A 106 -2.572 -17.866 12.337 1.00 72.25 H new ATOM 0 HA MET A 106 -4.249 -19.719 11.209 1.00 12.22 H new ATOM 0 HB2 MET A 106 -4.897 -17.802 9.685 1.00 41.42 H new ATOM 0 HB3 MET A 106 -4.828 -17.361 11.380 1.00 41.42 H new ATOM 0 HG2 MET A 106 -2.322 -16.684 10.839 1.00 43.22 H new ATOM 0 HG3 MET A 106 -2.862 -16.678 9.172 1.00 43.22 H new ATOM 0 HE1 MET A 106 -6.228 -14.441 10.096 1.00 14.22 H new ATOM 0 HE2 MET A 106 -5.553 -15.399 8.757 1.00 14.22 H new ATOM 0 HE3 MET A 106 -5.968 -16.190 10.296 1.00 14.22 H new ATOM 1581 N ILE A 107 -1.582 -19.304 9.451 1.00 62.13 N ATOM 1582 CA ILE A 107 -0.839 -19.772 8.293 1.00 75.33 C ATOM 1583 C ILE A 107 -0.036 -21.017 8.676 1.00 11.44 C ATOM 1584 O ILE A 107 0.043 -21.971 7.905 1.00 71.23 O ATOM 1585 CB ILE A 107 0.015 -18.644 7.712 1.00 53.23 C ATOM 1586 CG1 ILE A 107 0.619 -17.785 8.824 1.00 24.25 C ATOM 1587 CG2 ILE A 107 -0.788 -17.807 6.714 1.00 50.32 C ATOM 1588 CD1 ILE A 107 1.634 -16.789 8.259 1.00 74.13 C ATOM 0 H ILE A 107 -1.027 -18.789 10.134 1.00 62.13 H new ATOM 0 HA ILE A 107 -1.522 -20.066 7.496 1.00 75.33 H new ATOM 0 HB ILE A 107 0.844 -19.091 7.164 1.00 53.23 H new ATOM 0 HG12 ILE A 107 -0.174 -17.246 9.343 1.00 24.25 H new ATOM 0 HG13 ILE A 107 1.104 -18.426 9.560 1.00 24.25 H new ATOM 0 HG21 ILE A 107 -0.158 -17.012 6.316 1.00 50.32 H new ATOM 0 HG22 ILE A 107 -1.129 -18.443 5.897 1.00 50.32 H new ATOM 0 HG23 ILE A 107 -1.650 -17.369 7.217 1.00 50.32 H new ATOM 0 HD11 ILE A 107 2.048 -16.191 9.071 1.00 74.13 H new ATOM 0 HD12 ILE A 107 2.438 -17.331 7.762 1.00 74.13 H new ATOM 0 HD13 ILE A 107 1.140 -16.134 7.541 1.00 74.13 H new ATOM 1600 N LYS A 108 0.540 -20.966 9.869 1.00 52.35 N ATOM 1601 CA LYS A 108 1.334 -22.077 10.364 1.00 43.10 C ATOM 1602 C LYS A 108 0.432 -23.298 10.555 1.00 2.35 C ATOM 1603 O LYS A 108 0.920 -24.418 10.694 1.00 34.52 O ATOM 1604 CB LYS A 108 2.095 -21.670 11.628 1.00 61.14 C ATOM 1605 CG LYS A 108 2.787 -22.878 12.263 1.00 2.54 C ATOM 1606 CD LYS A 108 4.031 -22.448 13.044 1.00 32.13 C ATOM 1607 CE LYS A 108 3.648 -21.627 14.277 1.00 33.22 C ATOM 1608 NZ LYS A 108 4.860 -21.184 15.002 1.00 54.11 N ATOM 0 H LYS A 108 0.472 -20.173 10.506 1.00 52.35 H new ATOM 0 HA LYS A 108 2.096 -22.355 9.636 1.00 43.10 H new ATOM 0 HB2 LYS A 108 2.836 -20.910 11.382 1.00 61.14 H new ATOM 0 HB3 LYS A 108 1.405 -21.223 12.344 1.00 61.14 H new ATOM 0 HG2 LYS A 108 2.093 -23.390 12.930 1.00 2.54 H new ATOM 0 HG3 LYS A 108 3.068 -23.590 11.487 1.00 2.54 H new ATOM 0 HD2 LYS A 108 4.595 -23.329 13.350 1.00 32.13 H new ATOM 0 HD3 LYS A 108 4.684 -21.860 12.399 1.00 32.13 H new ATOM 0 HE2 LYS A 108 3.060 -20.760 13.976 1.00 33.22 H new ATOM 0 HE3 LYS A 108 3.020 -22.224 14.938 1.00 33.22 H new ATOM 0 HZ1 LYS A 108 4.582 -20.628 15.836 1.00 54.11 H new ATOM 0 HZ2 LYS A 108 5.406 -22.015 15.306 1.00 54.11 H new ATOM 0 HZ3 LYS A 108 5.445 -20.597 14.374 1.00 54.11 H new ATOM 1621 N GLY A 109 -0.867 -23.039 10.557 1.00 72.12 N ATOM 1622 CA GLY A 109 -1.842 -24.103 10.729 1.00 41.11 C ATOM 1623 C GLY A 109 -2.989 -23.654 11.636 1.00 30.05 C ATOM 1624 O GLY A 109 -2.847 -23.633 12.858 1.00 1.20 O ATOM 0 H GLY A 109 -1.267 -22.108 10.442 1.00 72.12 H new ATOM 0 HA2 GLY A 109 -2.237 -24.400 9.757 1.00 41.11 H new ATOM 0 HA3 GLY A 109 -1.357 -24.980 11.157 1.00 41.11 H new