USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -148:sc= -0.177 (180deg=-1.28!) USER MOD Single : A 2 SER OG : rot 180:sc= -0.265 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -131:sc= 1.17 (180deg=-0.218) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 0.286 (180deg=-0.061) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.481 K(o=-0.48,f=0.28) USER MOD Single : A 23 LYS NZ :NH3+ -141:sc= 0.0498 (180deg=0) USER MOD Single : A 24 SER OG : rot 151:sc= 1.2 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.073 X(o=-0.073,f=-0.5) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= -0.622 (180deg=-0.694) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -128:sc= -1.21 (180deg=-3.05!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.012) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 57 HIS : no HD1:sc= -0.274 X(o=-0.27,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00149) USER MOD Single : A 66 ASN : amide:sc= -3.76! K(o=-3.8!,f=-0.47) USER MOD Single : A 70 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.19) USER MOD Single : A 73 SER OG : rot 160:sc= 0.51 USER MOD Single : A 77 GLN : amide:sc= -2.04 K(o=-2,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.261 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -150:sc= -0.14 (180deg=-0.753) USER MOD Single : A 90 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.1!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.480 23.692 33.974 1.00 44.15 N ATOM 2 CA MET A 1 7.942 23.504 35.316 1.00 43.53 C ATOM 3 C MET A 1 8.110 24.770 36.151 1.00 34.42 C ATOM 4 O MET A 1 9.050 24.885 36.938 1.00 41.42 O ATOM 5 CB MET A 1 8.635 22.328 36.006 1.00 50.04 C ATOM 6 CG MET A 1 8.534 21.023 35.232 1.00 3.40 C ATOM 7 SD MET A 1 7.130 20.016 35.748 1.00 14.25 S ATOM 8 CE MET A 1 7.964 18.522 36.280 1.00 63.23 C ATOM 0 H1 MET A 1 7.929 23.126 33.297 1.00 44.15 H new ATOM 0 H2 MET A 1 8.421 24.697 33.714 1.00 44.15 H new ATOM 0 H3 MET A 1 9.474 23.387 33.953 1.00 44.15 H new ATOM 0 HA MET A 1 6.877 23.287 35.227 1.00 43.53 H new ATOM 0 HB2 MET A 1 9.687 22.573 36.154 1.00 50.04 H new ATOM 0 HB3 MET A 1 8.198 22.189 36.995 1.00 50.04 H new ATOM 0 HG2 MET A 1 8.447 21.242 34.168 1.00 3.40 H new ATOM 0 HG3 MET A 1 9.454 20.453 35.366 1.00 3.40 H new ATOM 0 HE1 MET A 1 7.227 17.799 36.629 1.00 63.23 H new ATOM 0 HE2 MET A 1 8.521 18.099 35.444 1.00 63.23 H new ATOM 0 HE3 MET A 1 8.652 18.759 37.091 1.00 63.23 H new ATOM 16 N SER A 2 7.194 25.717 35.975 1.00 53.04 N ATOM 17 CA SER A 2 7.243 26.975 36.709 1.00 33.43 C ATOM 18 C SER A 2 6.000 27.814 36.434 1.00 65.42 C ATOM 19 O SER A 2 5.219 27.509 35.532 1.00 20.41 O ATOM 20 CB SER A 2 8.499 27.762 36.328 1.00 14.12 C ATOM 21 OG SER A 2 8.568 28.986 37.040 1.00 22.41 O ATOM 0 H SER A 2 6.408 25.636 35.330 1.00 53.04 H new ATOM 0 HA SER A 2 7.275 26.745 37.774 1.00 33.43 H new ATOM 0 HB2 SER A 2 9.385 27.164 36.540 1.00 14.12 H new ATOM 0 HB3 SER A 2 8.497 27.960 35.256 1.00 14.12 H new ATOM 0 HG SER A 2 9.380 29.470 36.781 1.00 22.41 H new ATOM 26 N ASP A 3 5.823 28.872 37.217 1.00 63.01 N ATOM 27 CA ASP A 3 4.675 29.758 37.057 1.00 34.33 C ATOM 28 C ASP A 3 5.094 31.220 37.184 1.00 34.42 C ATOM 29 O ASP A 3 5.734 31.610 38.161 1.00 73.44 O ATOM 30 CB ASP A 3 3.603 29.430 38.098 1.00 1.41 C ATOM 31 CG ASP A 3 3.508 27.944 38.383 1.00 31.43 C ATOM 32 OD1 ASP A 3 3.407 27.161 37.416 1.00 54.04 O ATOM 33 OD2 ASP A 3 3.535 27.565 39.573 1.00 40.34 O ATOM 0 H ASP A 3 6.459 29.137 37.969 1.00 63.01 H new ATOM 0 HA ASP A 3 4.263 29.602 36.060 1.00 34.33 H new ATOM 0 HB2 ASP A 3 3.825 29.961 39.024 1.00 1.41 H new ATOM 0 HB3 ASP A 3 2.637 29.792 37.747 1.00 1.41 H new ATOM 37 N ALA A 4 4.730 32.022 36.191 1.00 24.41 N ATOM 38 CA ALA A 4 5.068 33.440 36.191 1.00 11.14 C ATOM 39 C ALA A 4 3.950 34.270 36.813 1.00 44.24 C ATOM 40 O ALA A 4 4.184 35.370 37.311 1.00 41.50 O ATOM 41 CB ALA A 4 5.355 33.915 34.774 1.00 2.10 C ATOM 0 H ALA A 4 4.201 31.715 35.375 1.00 24.41 H new ATOM 0 HA ALA A 4 5.965 33.574 36.796 1.00 11.14 H new ATOM 0 HB1 ALA A 4 5.606 34.976 34.790 1.00 2.10 H new ATOM 0 HB2 ALA A 4 6.192 33.350 34.363 1.00 2.10 H new ATOM 0 HB3 ALA A 4 4.473 33.760 34.153 1.00 2.10 H new ATOM 47 N GLY A 5 2.732 33.735 36.779 1.00 22.32 N ATOM 48 CA GLY A 5 1.596 34.441 37.341 1.00 10.44 C ATOM 49 C GLY A 5 0.564 33.501 37.932 1.00 43.15 C ATOM 50 O GLY A 5 0.507 32.325 37.571 1.00 44.22 O ATOM 0 H GLY A 5 2.513 32.826 36.372 1.00 22.32 H new ATOM 0 HA2 GLY A 5 1.944 35.126 38.114 1.00 10.44 H new ATOM 0 HA3 GLY A 5 1.129 35.047 36.565 1.00 10.44 H new ATOM 53 N ARG A 6 -0.252 34.019 38.844 1.00 72.03 N ATOM 54 CA ARG A 6 -1.286 33.216 39.487 1.00 32.44 C ATOM 55 C ARG A 6 -2.633 33.407 38.796 1.00 11.24 C ATOM 56 O ARG A 6 -3.312 32.439 38.457 1.00 75.44 O ATOM 57 CB ARG A 6 -1.402 33.587 40.967 1.00 41.40 C ATOM 58 CG ARG A 6 -0.675 32.628 41.894 1.00 1.44 C ATOM 59 CD ARG A 6 -1.543 32.233 43.078 1.00 12.34 C ATOM 60 NE ARG A 6 -1.421 33.177 44.186 1.00 10.25 N ATOM 61 CZ ARG A 6 -1.747 32.885 45.440 1.00 51.10 C ATOM 62 NH1 ARG A 6 -2.211 31.682 45.745 1.00 34.12 N ATOM 63 NH2 ARG A 6 -1.608 33.799 46.393 1.00 32.40 N ATOM 0 H ARG A 6 -0.218 34.990 39.154 1.00 72.03 H new ATOM 0 HA ARG A 6 -1.001 32.167 39.403 1.00 32.44 H new ATOM 0 HB2 ARG A 6 -1.005 34.591 41.113 1.00 41.40 H new ATOM 0 HB3 ARG A 6 -2.456 33.618 41.244 1.00 41.40 H new ATOM 0 HG2 ARG A 6 -0.384 31.735 41.340 1.00 1.44 H new ATOM 0 HG3 ARG A 6 0.243 33.093 42.253 1.00 1.44 H new ATOM 0 HD2 ARG A 6 -2.585 32.178 42.761 1.00 12.34 H new ATOM 0 HD3 ARG A 6 -1.261 31.237 43.418 1.00 12.34 H new ATOM 0 HE ARG A 6 -1.066 34.112 43.986 1.00 10.25 H new ATOM 0 HH11 ARG A 6 -2.319 30.977 45.016 1.00 34.12 H new ATOM 0 HH12 ARG A 6 -2.460 31.461 46.709 1.00 34.12 H new ATOM 0 HH21 ARG A 6 -1.251 34.726 46.162 1.00 32.40 H new ATOM 0 HH22 ARG A 6 -1.859 33.574 47.356 1.00 32.40 H new ATOM 74 N LYS A 7 -3.013 34.664 38.590 1.00 14.45 N ATOM 75 CA LYS A 7 -4.277 34.985 37.940 1.00 63.34 C ATOM 76 C LYS A 7 -4.101 35.083 36.427 1.00 2.45 C ATOM 77 O LYS A 7 -5.068 34.989 35.673 1.00 62.41 O ATOM 78 CB LYS A 7 -4.836 36.300 38.485 1.00 2.45 C ATOM 79 CG LYS A 7 -3.883 37.473 38.340 1.00 3.05 C ATOM 80 CD LYS A 7 -3.124 37.738 39.630 1.00 41.40 C ATOM 81 CE LYS A 7 -2.878 39.225 39.836 1.00 33.55 C ATOM 82 NZ LYS A 7 -1.531 39.488 40.415 1.00 22.31 N ATOM 0 H LYS A 7 -2.462 35.477 38.865 1.00 14.45 H new ATOM 0 HA LYS A 7 -4.982 34.182 38.155 1.00 63.34 H new ATOM 0 HB2 LYS A 7 -5.766 36.532 37.966 1.00 2.45 H new ATOM 0 HB3 LYS A 7 -5.082 36.171 39.539 1.00 2.45 H new ATOM 0 HG2 LYS A 7 -3.176 37.271 37.536 1.00 3.05 H new ATOM 0 HG3 LYS A 7 -4.442 38.364 38.056 1.00 3.05 H new ATOM 0 HD2 LYS A 7 -3.689 37.341 40.474 1.00 41.40 H new ATOM 0 HD3 LYS A 7 -2.171 37.210 39.608 1.00 41.40 H new ATOM 0 HE2 LYS A 7 -2.971 39.744 38.882 1.00 33.55 H new ATOM 0 HE3 LYS A 7 -3.643 39.632 40.497 1.00 33.55 H new ATOM 0 HZ1 LYS A 7 -1.401 40.512 40.540 1.00 22.31 H new ATOM 0 HZ2 LYS A 7 -1.451 39.013 41.337 1.00 22.31 H new ATOM 0 HZ3 LYS A 7 -0.800 39.122 39.772 1.00 22.31 H new ATOM 92 N GLY A 8 -2.859 35.273 35.992 1.00 41.34 N ATOM 93 CA GLY A 8 -2.579 35.380 34.572 1.00 53.55 C ATOM 94 C GLY A 8 -3.288 36.555 33.928 1.00 71.20 C ATOM 95 O GLY A 8 -4.480 36.484 33.631 1.00 72.34 O ATOM 0 H GLY A 8 -2.042 35.355 36.597 1.00 41.34 H new ATOM 0 HA2 GLY A 8 -1.504 35.483 34.424 1.00 53.55 H new ATOM 0 HA3 GLY A 8 -2.883 34.459 34.074 1.00 53.55 H new ATOM 98 N PHE A 9 -2.552 37.641 33.715 1.00 45.42 N ATOM 99 CA PHE A 9 -3.118 38.840 33.104 1.00 33.21 C ATOM 100 C PHE A 9 -3.086 38.742 31.582 1.00 73.31 C ATOM 101 O PHE A 9 -3.673 39.566 30.883 1.00 12.31 O ATOM 102 CB PHE A 9 -2.351 40.081 33.563 1.00 24.30 C ATOM 103 CG PHE A 9 -0.868 39.984 33.346 1.00 21.13 C ATOM 104 CD1 PHE A 9 -0.315 40.267 32.108 1.00 42.12 C ATOM 105 CD2 PHE A 9 -0.026 39.610 34.382 1.00 64.34 C ATOM 106 CE1 PHE A 9 1.049 40.178 31.905 1.00 20.11 C ATOM 107 CE2 PHE A 9 1.339 39.519 34.185 1.00 22.23 C ATOM 108 CZ PHE A 9 1.877 39.804 32.945 1.00 14.23 C ATOM 0 H PHE A 9 -1.564 37.716 33.956 1.00 45.42 H new ATOM 0 HA PHE A 9 -4.157 38.925 33.423 1.00 33.21 H new ATOM 0 HB2 PHE A 9 -2.732 40.952 33.029 1.00 24.30 H new ATOM 0 HB3 PHE A 9 -2.545 40.247 34.623 1.00 24.30 H new ATOM 0 HD1 PHE A 9 -0.958 40.561 31.291 1.00 42.12 H new ATOM 0 HD2 PHE A 9 -0.441 39.387 35.354 1.00 64.34 H new ATOM 0 HE1 PHE A 9 1.467 40.401 30.934 1.00 20.11 H new ATOM 0 HE2 PHE A 9 1.984 39.225 35.000 1.00 22.23 H new ATOM 0 HZ PHE A 9 2.943 39.734 32.789 1.00 14.23 H new ATOM 117 N GLY A 10 -2.395 37.724 31.075 1.00 25.02 N ATOM 118 CA GLY A 10 -2.298 37.537 29.639 1.00 23.40 C ATOM 119 C GLY A 10 -3.383 36.626 29.098 1.00 35.24 C ATOM 120 O GLY A 10 -3.901 36.849 28.006 1.00 43.34 O ATOM 0 H GLY A 10 -1.902 37.027 31.633 1.00 25.02 H new ATOM 0 HA2 GLY A 10 -2.362 38.506 29.144 1.00 23.40 H new ATOM 0 HA3 GLY A 10 -1.322 37.118 29.395 1.00 23.40 H new ATOM 123 N GLU A 11 -3.724 35.595 29.866 1.00 10.23 N ATOM 124 CA GLU A 11 -4.752 34.646 29.456 1.00 42.53 C ATOM 125 C GLU A 11 -6.001 35.375 28.966 1.00 11.30 C ATOM 126 O GLU A 11 -6.763 34.848 28.156 1.00 42.22 O ATOM 127 CB GLU A 11 -5.113 33.718 30.618 1.00 61.12 C ATOM 128 CG GLU A 11 -3.905 33.095 31.296 1.00 43.12 C ATOM 129 CD GLU A 11 -4.184 31.697 31.815 1.00 3.23 C ATOM 130 OE1 GLU A 11 -4.705 31.576 32.943 1.00 31.25 O ATOM 131 OE2 GLU A 11 -3.881 30.725 31.091 1.00 15.15 O ATOM 0 H GLU A 11 -3.304 35.396 30.774 1.00 10.23 H new ATOM 0 HA GLU A 11 -4.354 34.050 28.635 1.00 42.53 H new ATOM 0 HB2 GLU A 11 -5.684 34.280 31.357 1.00 61.12 H new ATOM 0 HB3 GLU A 11 -5.762 32.924 30.250 1.00 61.12 H new ATOM 0 HG2 GLU A 11 -3.076 33.058 30.590 1.00 43.12 H new ATOM 0 HG3 GLU A 11 -3.590 33.730 32.124 1.00 43.12 H new ATOM 136 N LYS A 12 -6.204 36.589 29.465 1.00 22.02 N ATOM 137 CA LYS A 12 -7.359 37.393 29.079 1.00 31.33 C ATOM 138 C LYS A 12 -6.960 38.474 28.080 1.00 22.30 C ATOM 139 O LYS A 12 -7.455 38.505 26.954 1.00 20.45 O ATOM 140 CB LYS A 12 -7.995 38.034 30.314 1.00 21.43 C ATOM 141 CG LYS A 12 -8.232 37.057 31.453 1.00 33.41 C ATOM 142 CD LYS A 12 -6.992 36.897 32.317 1.00 41.54 C ATOM 143 CE LYS A 12 -7.350 36.449 33.726 1.00 63.21 C ATOM 144 NZ LYS A 12 -7.219 34.974 33.889 1.00 1.22 N ATOM 0 H LYS A 12 -5.584 37.039 30.138 1.00 22.02 H new ATOM 0 HA LYS A 12 -8.086 36.735 28.604 1.00 31.33 H new ATOM 0 HB2 LYS A 12 -7.352 38.841 30.666 1.00 21.43 H new ATOM 0 HB3 LYS A 12 -8.946 38.485 30.030 1.00 21.43 H new ATOM 0 HG2 LYS A 12 -9.062 37.407 32.067 1.00 33.41 H new ATOM 0 HG3 LYS A 12 -8.522 36.088 31.048 1.00 33.41 H new ATOM 0 HD2 LYS A 12 -6.321 36.169 31.862 1.00 41.54 H new ATOM 0 HD3 LYS A 12 -6.453 37.843 32.361 1.00 41.54 H new ATOM 0 HE2 LYS A 12 -6.702 36.953 34.443 1.00 63.21 H new ATOM 0 HE3 LYS A 12 -8.372 36.750 33.954 1.00 63.21 H new ATOM 0 HZ1 LYS A 12 -8.080 34.596 34.334 1.00 1.22 H new ATOM 0 HZ2 LYS A 12 -7.089 34.532 32.957 1.00 1.22 H new ATOM 0 HZ3 LYS A 12 -6.397 34.763 34.490 1.00 1.22 H new ATOM 154 N ALA A 13 -6.061 39.358 28.500 1.00 0.44 N ATOM 155 CA ALA A 13 -5.594 40.439 27.641 1.00 24.52 C ATOM 156 C ALA A 13 -4.915 39.892 26.390 1.00 44.23 C ATOM 157 O ALA A 13 -5.180 40.348 25.278 1.00 43.41 O ATOM 158 CB ALA A 13 -4.641 41.347 28.405 1.00 31.23 C ATOM 0 H ALA A 13 -5.642 39.347 29.430 1.00 0.44 H new ATOM 0 HA ALA A 13 -6.461 41.021 27.328 1.00 24.52 H new ATOM 0 HB1 ALA A 13 -4.300 42.150 27.751 1.00 31.23 H new ATOM 0 HB2 ALA A 13 -5.156 41.774 29.265 1.00 31.23 H new ATOM 0 HB3 ALA A 13 -3.783 40.769 28.747 1.00 31.23 H new ATOM 164 N SER A 14 -4.038 38.911 26.579 1.00 1.10 N ATOM 165 CA SER A 14 -3.317 38.305 25.465 1.00 52.23 C ATOM 166 C SER A 14 -4.274 37.549 24.548 1.00 44.11 C ATOM 167 O SER A 14 -4.107 37.547 23.329 1.00 45.33 O ATOM 168 CB SER A 14 -2.236 37.356 25.986 1.00 31.01 C ATOM 169 OG SER A 14 -1.126 37.316 25.106 1.00 54.24 O ATOM 0 H SER A 14 -3.810 38.519 27.493 1.00 1.10 H new ATOM 0 HA SER A 14 -2.844 39.103 24.892 1.00 52.23 H new ATOM 0 HB2 SER A 14 -1.909 37.679 26.974 1.00 31.01 H new ATOM 0 HB3 SER A 14 -2.651 36.354 26.099 1.00 31.01 H new ATOM 0 HG SER A 14 -0.448 36.704 25.462 1.00 54.24 H new ATOM 174 N GLU A 15 -5.275 36.909 25.144 1.00 64.23 N ATOM 175 CA GLU A 15 -6.258 36.150 24.380 1.00 34.40 C ATOM 176 C GLU A 15 -7.339 37.067 23.818 1.00 0.54 C ATOM 177 O GLU A 15 -8.000 36.737 22.835 1.00 22.43 O ATOM 178 CB GLU A 15 -6.895 35.070 25.258 1.00 61.31 C ATOM 179 CG GLU A 15 -5.892 34.083 25.832 1.00 63.35 C ATOM 180 CD GLU A 15 -5.232 33.233 24.763 1.00 22.11 C ATOM 181 OE1 GLU A 15 -5.836 32.220 24.352 1.00 22.55 O ATOM 182 OE2 GLU A 15 -4.111 33.582 24.337 1.00 21.31 O ATOM 0 H GLU A 15 -5.427 36.901 26.153 1.00 64.23 H new ATOM 0 HA GLU A 15 -5.742 35.674 23.546 1.00 34.40 H new ATOM 0 HB2 GLU A 15 -7.431 35.549 26.078 1.00 61.31 H new ATOM 0 HB3 GLU A 15 -7.633 34.525 24.670 1.00 61.31 H new ATOM 0 HG2 GLU A 15 -5.125 34.629 26.382 1.00 63.35 H new ATOM 0 HG3 GLU A 15 -6.396 33.433 26.548 1.00 63.35 H new ATOM 187 N ALA A 16 -7.514 38.223 24.453 1.00 15.10 N ATOM 188 CA ALA A 16 -8.514 39.190 24.018 1.00 74.11 C ATOM 189 C ALA A 16 -7.903 40.227 23.082 1.00 40.13 C ATOM 190 O ALA A 16 -8.618 41.009 22.454 1.00 61.00 O ATOM 191 CB ALA A 16 -9.149 39.871 25.221 1.00 34.20 C ATOM 0 H ALA A 16 -6.976 38.511 25.270 1.00 15.10 H new ATOM 0 HA ALA A 16 -9.288 38.653 23.469 1.00 74.11 H new ATOM 0 HB1 ALA A 16 -9.894 40.590 24.881 1.00 34.20 H new ATOM 0 HB2 ALA A 16 -9.629 39.123 25.851 1.00 34.20 H new ATOM 0 HB3 ALA A 16 -8.380 40.389 25.794 1.00 34.20 H new ATOM 197 N LEU A 17 -6.578 40.229 22.993 1.00 72.15 N ATOM 198 CA LEU A 17 -5.869 41.171 22.133 1.00 53.55 C ATOM 199 C LEU A 17 -5.190 40.447 20.976 1.00 30.42 C ATOM 200 O LEU A 17 -4.899 41.045 19.940 1.00 43.24 O ATOM 201 CB LEU A 17 -4.833 41.951 22.943 1.00 33.40 C ATOM 202 CG LEU A 17 -3.499 41.242 23.184 1.00 22.12 C ATOM 203 CD1 LEU A 17 -2.570 41.433 21.996 1.00 5.44 C ATOM 204 CD2 LEU A 17 -2.847 41.752 24.461 1.00 0.44 C ATOM 0 H LEU A 17 -5.972 39.589 23.506 1.00 72.15 H new ATOM 0 HA LEU A 17 -6.598 41.869 21.721 1.00 53.55 H new ATOM 0 HB2 LEU A 17 -4.634 42.892 22.431 1.00 33.40 H new ATOM 0 HB3 LEU A 17 -5.270 42.200 23.910 1.00 33.40 H new ATOM 0 HG LEU A 17 -3.692 40.175 23.299 1.00 22.12 H new ATOM 0 HD11 LEU A 17 -1.626 40.922 22.186 1.00 5.44 H new ATOM 0 HD12 LEU A 17 -3.034 41.018 21.101 1.00 5.44 H new ATOM 0 HD13 LEU A 17 -2.383 42.497 21.848 1.00 5.44 H new ATOM 0 HD21 LEU A 17 -1.899 41.237 24.617 1.00 0.44 H new ATOM 0 HD22 LEU A 17 -2.667 42.824 24.375 1.00 0.44 H new ATOM 0 HD23 LEU A 17 -3.507 41.561 25.308 1.00 0.44 H new ATOM 215 N LYS A 18 -4.939 39.155 21.158 1.00 12.33 N ATOM 216 CA LYS A 18 -4.295 38.347 20.129 1.00 51.12 C ATOM 217 C LYS A 18 -4.870 38.663 18.752 1.00 14.22 C ATOM 218 O LYS A 18 -5.990 38.276 18.416 1.00 31.33 O ATOM 219 CB LYS A 18 -4.470 36.858 20.438 1.00 65.45 C ATOM 220 CG LYS A 18 -5.897 36.473 20.787 1.00 50.04 C ATOM 221 CD LYS A 18 -6.223 35.063 20.324 1.00 22.31 C ATOM 222 CE LYS A 18 -6.095 34.059 21.459 1.00 74.21 C ATOM 223 NZ LYS A 18 -7.352 33.953 22.251 1.00 25.31 N ATOM 0 H LYS A 18 -5.172 38.644 22.010 1.00 12.33 H new ATOM 0 HA LYS A 18 -3.232 38.588 20.124 1.00 51.12 H new ATOM 0 HB2 LYS A 18 -4.146 36.276 19.575 1.00 65.45 H new ATOM 0 HB3 LYS A 18 -3.817 36.588 21.268 1.00 65.45 H new ATOM 0 HG2 LYS A 18 -6.041 36.545 21.865 1.00 50.04 H new ATOM 0 HG3 LYS A 18 -6.588 37.178 20.325 1.00 50.04 H new ATOM 0 HD2 LYS A 18 -7.237 35.035 19.925 1.00 22.31 H new ATOM 0 HD3 LYS A 18 -5.553 34.782 19.511 1.00 22.31 H new ATOM 0 HE2 LYS A 18 -5.839 33.081 21.051 1.00 74.21 H new ATOM 0 HE3 LYS A 18 -5.276 34.355 22.115 1.00 74.21 H new ATOM 0 HZ1 LYS A 18 -7.175 33.393 23.109 1.00 25.31 H new ATOM 0 HZ2 LYS A 18 -7.675 34.905 22.519 1.00 25.31 H new ATOM 0 HZ3 LYS A 18 -8.085 33.487 21.678 1.00 25.31 H new ATOM 233 N PRO A 19 -4.087 39.380 17.933 1.00 4.43 N ATOM 234 CA PRO A 19 -4.497 39.762 16.579 1.00 70.14 C ATOM 235 C PRO A 19 -4.556 38.567 15.633 1.00 51.24 C ATOM 236 O PRO A 19 -3.789 38.483 14.674 1.00 50.32 O ATOM 237 CB PRO A 19 -3.402 40.738 16.138 1.00 54.44 C ATOM 238 CG PRO A 19 -2.210 40.359 16.946 1.00 34.14 C ATOM 239 CD PRO A 19 -2.741 39.875 18.267 1.00 11.44 C ATOM 0 HA PRO A 19 -5.500 40.189 16.562 1.00 70.14 H new ATOM 0 HB2 PRO A 19 -3.201 40.651 15.070 1.00 54.44 H new ATOM 0 HB3 PRO A 19 -3.694 41.771 16.324 1.00 54.44 H new ATOM 0 HG2 PRO A 19 -1.633 39.580 16.448 1.00 34.14 H new ATOM 0 HG3 PRO A 19 -1.544 41.211 17.082 1.00 34.14 H new ATOM 0 HD2 PRO A 19 -2.116 39.087 18.687 1.00 11.44 H new ATOM 0 HD3 PRO A 19 -2.779 40.678 19.003 1.00 11.44 H new ATOM 244 N ASP A 20 -5.472 37.644 15.911 1.00 64.55 N ATOM 245 CA ASP A 20 -5.632 36.454 15.083 1.00 50.10 C ATOM 246 C ASP A 20 -4.295 35.749 14.880 1.00 54.11 C ATOM 247 O ASP A 20 -3.973 35.313 13.775 1.00 62.22 O ATOM 248 CB ASP A 20 -6.237 36.826 13.728 1.00 51.53 C ATOM 249 CG ASP A 20 -6.573 35.608 12.890 1.00 70.40 C ATOM 250 OD1 ASP A 20 -7.395 34.784 13.342 1.00 50.31 O ATOM 251 OD2 ASP A 20 -6.012 35.479 11.781 1.00 51.50 O ATOM 0 H ASP A 20 -6.114 37.697 16.702 1.00 64.55 H new ATOM 0 HA ASP A 20 -6.308 35.772 15.599 1.00 50.10 H new ATOM 0 HB2 ASP A 20 -7.140 37.415 13.886 1.00 51.53 H new ATOM 0 HB3 ASP A 20 -5.536 37.457 13.182 1.00 51.53 H new ATOM 255 N SER A 21 -3.520 35.640 15.954 1.00 1.21 N ATOM 256 CA SER A 21 -2.214 34.993 15.894 1.00 40.33 C ATOM 257 C SER A 21 -2.266 33.607 16.530 1.00 21.23 C ATOM 258 O SER A 21 -1.380 32.780 16.313 1.00 52.24 O ATOM 259 CB SER A 21 -1.162 35.851 16.598 1.00 63.45 C ATOM 260 OG SER A 21 -1.401 35.909 17.993 1.00 61.44 O ATOM 0 H SER A 21 -3.774 35.992 16.877 1.00 1.21 H new ATOM 0 HA SER A 21 -1.938 34.883 14.845 1.00 40.33 H new ATOM 0 HB2 SER A 21 -0.170 35.440 16.413 1.00 63.45 H new ATOM 0 HB3 SER A 21 -1.172 36.858 16.182 1.00 63.45 H new ATOM 0 HG SER A 21 -0.714 36.462 18.420 1.00 61.44 H new ATOM 265 N GLN A 22 -3.309 33.362 17.318 1.00 24.53 N ATOM 266 CA GLN A 22 -3.476 32.078 17.986 1.00 21.15 C ATOM 267 C GLN A 22 -4.647 31.303 17.393 1.00 13.31 C ATOM 268 O GLN A 22 -4.579 30.085 17.225 1.00 41.12 O ATOM 269 CB GLN A 22 -3.693 32.285 19.486 1.00 33.24 C ATOM 270 CG GLN A 22 -2.442 32.729 20.228 1.00 65.24 C ATOM 271 CD GLN A 22 -2.632 32.754 21.731 1.00 61.54 C ATOM 272 OE1 GLN A 22 -2.414 33.777 22.378 1.00 11.54 O ATOM 273 NE2 GLN A 22 -3.039 31.623 22.295 1.00 41.05 N ATOM 0 H GLN A 22 -4.050 34.036 17.509 1.00 24.53 H new ATOM 0 HA GLN A 22 -2.566 31.497 17.834 1.00 21.15 H new ATOM 0 HB2 GLN A 22 -4.475 33.030 19.632 1.00 33.24 H new ATOM 0 HB3 GLN A 22 -4.054 31.354 19.924 1.00 33.24 H new ATOM 0 HG2 GLN A 22 -1.620 32.057 19.981 1.00 65.24 H new ATOM 0 HG3 GLN A 22 -2.155 33.723 19.886 1.00 65.24 H new ATOM 0 HE21 GLN A 22 -3.208 30.798 21.719 1.00 41.05 H new ATOM 0 HE22 GLN A 22 -3.183 31.579 23.304 1.00 41.05 H new ATOM 280 N LYS A 23 -5.723 32.016 17.078 1.00 62.25 N ATOM 281 CA LYS A 23 -6.911 31.397 16.502 1.00 23.23 C ATOM 282 C LYS A 23 -6.623 30.866 15.102 1.00 31.41 C ATOM 283 O LYS A 23 -6.506 29.657 14.898 1.00 43.43 O ATOM 284 CB LYS A 23 -8.062 32.404 16.450 1.00 13.42 C ATOM 285 CG LYS A 23 -7.612 33.829 16.181 1.00 21.55 C ATOM 286 CD LYS A 23 -7.725 34.694 17.425 1.00 15.10 C ATOM 287 CE LYS A 23 -9.031 35.473 17.446 1.00 44.13 C ATOM 288 NZ LYS A 23 -8.799 36.944 17.465 1.00 51.02 N ATOM 0 H LYS A 23 -5.797 33.024 17.212 1.00 62.25 H new ATOM 0 HA LYS A 23 -7.198 30.559 17.138 1.00 23.23 H new ATOM 0 HB2 LYS A 23 -8.764 32.101 15.673 1.00 13.42 H new ATOM 0 HB3 LYS A 23 -8.602 32.375 17.396 1.00 13.42 H new ATOM 0 HG2 LYS A 23 -6.579 33.826 15.832 1.00 21.55 H new ATOM 0 HG3 LYS A 23 -8.217 34.258 15.382 1.00 21.55 H new ATOM 0 HD2 LYS A 23 -7.661 34.066 18.313 1.00 15.10 H new ATOM 0 HD3 LYS A 23 -6.886 35.388 17.464 1.00 15.10 H new ATOM 0 HE2 LYS A 23 -9.625 35.210 16.570 1.00 44.13 H new ATOM 0 HE3 LYS A 23 -9.611 35.185 18.323 1.00 44.13 H new ATOM 0 HZ1 LYS A 23 -9.493 37.397 18.094 1.00 51.02 H new ATOM 0 HZ2 LYS A 23 -7.838 37.139 17.812 1.00 51.02 H new ATOM 0 HZ3 LYS A 23 -8.904 37.324 16.503 1.00 51.02 H new ATOM 298 N SER A 24 -6.507 31.776 14.140 1.00 41.20 N ATOM 299 CA SER A 24 -6.235 31.399 12.759 1.00 41.15 C ATOM 300 C SER A 24 -5.201 30.279 12.695 1.00 41.02 C ATOM 301 O SER A 24 -5.213 29.458 11.778 1.00 64.54 O ATOM 302 CB SER A 24 -5.742 32.610 11.965 1.00 63.44 C ATOM 303 OG SER A 24 -6.752 33.096 11.096 1.00 14.35 O ATOM 0 H SER A 24 -6.597 32.780 14.293 1.00 41.20 H new ATOM 0 HA SER A 24 -7.164 31.038 12.317 1.00 41.15 H new ATOM 0 HB2 SER A 24 -5.438 33.400 12.652 1.00 63.44 H new ATOM 0 HB3 SER A 24 -4.861 32.335 11.386 1.00 63.44 H new ATOM 0 HG SER A 24 -6.634 34.060 10.964 1.00 14.35 H new ATOM 308 N TYR A 25 -4.305 30.253 13.677 1.00 43.44 N ATOM 309 CA TYR A 25 -3.262 29.237 13.732 1.00 34.12 C ATOM 310 C TYR A 25 -3.774 27.966 14.406 1.00 25.44 C ATOM 311 O TYR A 25 -3.737 26.884 13.823 1.00 15.33 O ATOM 312 CB TYR A 25 -2.041 29.770 14.484 1.00 73.44 C ATOM 313 CG TYR A 25 -1.413 30.983 13.835 1.00 73.44 C ATOM 314 CD1 TYR A 25 -2.119 32.173 13.712 1.00 61.15 C ATOM 315 CD2 TYR A 25 -0.113 30.938 13.347 1.00 41.43 C ATOM 316 CE1 TYR A 25 -1.550 33.283 13.119 1.00 21.25 C ATOM 317 CE2 TYR A 25 0.465 32.045 12.754 1.00 71.50 C ATOM 318 CZ TYR A 25 -0.257 33.214 12.642 1.00 52.44 C ATOM 319 OH TYR A 25 0.314 34.318 12.053 1.00 64.21 O ATOM 0 H TYR A 25 -4.281 30.924 14.445 1.00 43.44 H new ATOM 0 HA TYR A 25 -2.973 28.993 12.710 1.00 34.12 H new ATOM 0 HB2 TYR A 25 -2.334 30.024 15.503 1.00 73.44 H new ATOM 0 HB3 TYR A 25 -1.295 28.979 14.555 1.00 73.44 H new ATOM 0 HD1 TYR A 25 -3.130 32.231 14.087 1.00 61.15 H new ATOM 0 HD2 TYR A 25 0.455 30.024 13.432 1.00 41.43 H new ATOM 0 HE1 TYR A 25 -2.114 34.200 13.029 1.00 21.25 H new ATOM 0 HE2 TYR A 25 1.477 31.994 12.380 1.00 71.50 H new ATOM 0 HH TYR A 25 1.228 34.103 11.773 1.00 64.21 H new ATOM 328 N ALA A 26 -4.250 28.109 15.639 1.00 45.10 N ATOM 329 CA ALA A 26 -4.772 26.976 16.392 1.00 22.01 C ATOM 330 C ALA A 26 -6.105 26.504 15.822 1.00 62.43 C ATOM 331 O ALA A 26 -6.298 25.313 15.578 1.00 43.42 O ATOM 332 CB ALA A 26 -4.925 27.345 17.860 1.00 55.20 C ATOM 0 H ALA A 26 -4.285 28.998 16.137 1.00 45.10 H new ATOM 0 HA ALA A 26 -4.060 26.155 16.306 1.00 22.01 H new ATOM 0 HB1 ALA A 26 -5.316 26.490 18.411 1.00 55.20 H new ATOM 0 HB2 ALA A 26 -3.954 27.626 18.268 1.00 55.20 H new ATOM 0 HB3 ALA A 26 -5.615 28.184 17.954 1.00 55.20 H new ATOM 338 N GLU A 27 -7.020 27.445 15.611 1.00 22.43 N ATOM 339 CA GLU A 27 -8.335 27.123 15.069 1.00 33.33 C ATOM 340 C GLU A 27 -8.212 26.231 13.837 1.00 62.25 C ATOM 341 O GLU A 27 -8.777 25.138 13.792 1.00 64.43 O ATOM 342 CB GLU A 27 -9.091 28.404 14.713 1.00 42.14 C ATOM 343 CG GLU A 27 -10.538 28.164 14.311 1.00 51.12 C ATOM 344 CD GLU A 27 -11.522 28.697 15.334 1.00 42.00 C ATOM 345 OE1 GLU A 27 -11.651 29.934 15.447 1.00 65.21 O ATOM 346 OE2 GLU A 27 -12.164 27.876 16.022 1.00 50.23 O ATOM 0 H GLU A 27 -6.875 28.435 15.807 1.00 22.43 H new ATOM 0 HA GLU A 27 -8.893 26.581 15.833 1.00 33.33 H new ATOM 0 HB2 GLU A 27 -9.067 29.080 15.568 1.00 42.14 H new ATOM 0 HB3 GLU A 27 -8.574 28.906 13.895 1.00 42.14 H new ATOM 0 HG2 GLU A 27 -10.727 28.638 13.348 1.00 51.12 H new ATOM 0 HG3 GLU A 27 -10.702 27.095 14.177 1.00 51.12 H new ATOM 351 N GLN A 28 -7.472 26.706 12.841 1.00 32.33 N ATOM 352 CA GLN A 28 -7.276 25.953 11.608 1.00 50.12 C ATOM 353 C GLN A 28 -6.866 24.515 11.908 1.00 53.25 C ATOM 354 O GLN A 28 -7.256 23.587 11.199 1.00 23.22 O ATOM 355 CB GLN A 28 -6.216 26.626 10.736 1.00 1.05 C ATOM 356 CG GLN A 28 -6.794 27.406 9.567 1.00 65.13 C ATOM 357 CD GLN A 28 -5.883 27.403 8.355 1.00 11.11 C ATOM 358 OE1 GLN A 28 -5.329 26.369 7.984 1.00 62.50 O ATOM 359 NE2 GLN A 28 -5.724 28.564 7.731 1.00 4.31 N ATOM 0 H GLN A 28 -6.998 27.609 12.864 1.00 32.33 H new ATOM 0 HA GLN A 28 -8.223 25.937 11.068 1.00 50.12 H new ATOM 0 HB2 GLN A 28 -5.624 27.301 11.354 1.00 1.05 H new ATOM 0 HB3 GLN A 28 -5.536 25.865 10.353 1.00 1.05 H new ATOM 0 HG2 GLN A 28 -7.759 26.980 9.292 1.00 65.13 H new ATOM 0 HG3 GLN A 28 -6.977 28.435 9.877 1.00 65.13 H new ATOM 0 HE21 GLN A 28 -6.203 29.397 8.073 1.00 4.31 H new ATOM 0 HE22 GLN A 28 -5.123 28.623 6.909 1.00 4.31 H new ATOM 366 N GLY A 29 -6.077 24.337 12.963 1.00 41.42 N ATOM 367 CA GLY A 29 -5.628 23.009 13.337 1.00 0.54 C ATOM 368 C GLY A 29 -6.713 22.201 14.023 1.00 13.04 C ATOM 369 O GLY A 29 -6.780 20.982 13.869 1.00 75.12 O ATOM 0 H GLY A 29 -5.741 25.089 13.565 1.00 41.42 H new ATOM 0 HA2 GLY A 29 -5.292 22.478 12.446 1.00 0.54 H new ATOM 0 HA3 GLY A 29 -4.768 23.093 14.001 1.00 0.54 H new ATOM 372 N LYS A 30 -7.563 22.882 14.784 1.00 22.11 N ATOM 373 CA LYS A 30 -8.650 22.221 15.497 1.00 61.04 C ATOM 374 C LYS A 30 -9.788 21.867 14.545 1.00 55.11 C ATOM 375 O LYS A 30 -10.272 20.735 14.537 1.00 21.02 O ATOM 376 CB LYS A 30 -9.171 23.120 16.620 1.00 14.03 C ATOM 377 CG LYS A 30 -8.714 22.691 18.004 1.00 74.54 C ATOM 378 CD LYS A 30 -7.435 23.402 18.414 1.00 43.32 C ATOM 379 CE LYS A 30 -7.730 24.665 19.209 1.00 51.42 C ATOM 380 NZ LYS A 30 -8.517 25.650 18.415 1.00 72.42 N ATOM 0 H LYS A 30 -7.520 23.892 14.923 1.00 22.11 H new ATOM 0 HA LYS A 30 -8.261 21.299 15.929 1.00 61.04 H new ATOM 0 HB2 LYS A 30 -8.841 24.143 16.438 1.00 14.03 H new ATOM 0 HB3 LYS A 30 -10.261 23.127 16.592 1.00 14.03 H new ATOM 0 HG2 LYS A 30 -9.499 22.904 18.730 1.00 74.54 H new ATOM 0 HG3 LYS A 30 -8.552 21.613 18.017 1.00 74.54 H new ATOM 0 HD2 LYS A 30 -6.819 22.730 19.012 1.00 43.32 H new ATOM 0 HD3 LYS A 30 -6.858 23.657 17.525 1.00 43.32 H new ATOM 0 HE2 LYS A 30 -8.281 24.405 20.113 1.00 51.42 H new ATOM 0 HE3 LYS A 30 -6.792 25.121 19.527 1.00 51.42 H new ATOM 0 HZ1 LYS A 30 -8.625 26.529 18.960 1.00 72.42 H new ATOM 0 HZ2 LYS A 30 -8.020 25.854 17.524 1.00 72.42 H new ATOM 0 HZ3 LYS A 30 -9.456 25.256 18.205 1.00 72.42 H new ATOM 390 N GLU A 31 -10.210 22.841 13.745 1.00 3.10 N ATOM 391 CA GLU A 31 -11.291 22.631 12.789 1.00 75.15 C ATOM 392 C GLU A 31 -11.091 21.327 12.020 1.00 20.23 C ATOM 393 O GLU A 31 -12.056 20.674 11.623 1.00 31.32 O ATOM 394 CB GLU A 31 -11.375 23.804 11.812 1.00 30.11 C ATOM 395 CG GLU A 31 -10.103 24.019 11.008 1.00 54.20 C ATOM 396 CD GLU A 31 -10.292 25.002 9.869 1.00 12.43 C ATOM 397 OE1 GLU A 31 -11.068 25.966 10.039 1.00 31.32 O ATOM 398 OE2 GLU A 31 -9.663 24.807 8.809 1.00 24.42 O ATOM 0 H GLU A 31 -9.820 23.783 13.740 1.00 3.10 H new ATOM 0 HA GLU A 31 -12.226 22.566 13.346 1.00 75.15 H new ATOM 0 HB2 GLU A 31 -12.205 23.635 11.125 1.00 30.11 H new ATOM 0 HB3 GLU A 31 -11.601 24.714 12.368 1.00 30.11 H new ATOM 0 HG2 GLU A 31 -9.316 24.382 11.670 1.00 54.20 H new ATOM 0 HG3 GLU A 31 -9.766 23.064 10.606 1.00 54.20 H new ATOM 403 N TYR A 32 -9.833 20.957 11.813 1.00 23.51 N ATOM 404 CA TYR A 32 -9.504 19.734 11.089 1.00 5.54 C ATOM 405 C TYR A 32 -9.652 18.512 11.989 1.00 13.12 C ATOM 406 O TYR A 32 -10.100 17.453 11.548 1.00 60.43 O ATOM 407 CB TYR A 32 -8.078 19.809 10.541 1.00 10.20 C ATOM 408 CG TYR A 32 -7.602 18.518 9.915 1.00 62.22 C ATOM 409 CD1 TYR A 32 -7.335 17.401 10.696 1.00 73.45 C ATOM 410 CD2 TYR A 32 -7.421 18.415 8.540 1.00 50.32 C ATOM 411 CE1 TYR A 32 -6.900 16.219 10.127 1.00 31.24 C ATOM 412 CE2 TYR A 32 -6.987 17.237 7.962 1.00 12.45 C ATOM 413 CZ TYR A 32 -6.728 16.142 8.760 1.00 34.24 C ATOM 414 OH TYR A 32 -6.295 14.967 8.190 1.00 43.12 O ATOM 0 H TYR A 32 -9.023 21.486 12.136 1.00 23.51 H new ATOM 0 HA TYR A 32 -10.201 19.636 10.257 1.00 5.54 H new ATOM 0 HB2 TYR A 32 -8.025 20.605 9.798 1.00 10.20 H new ATOM 0 HB3 TYR A 32 -7.401 20.082 11.350 1.00 10.20 H new ATOM 0 HD1 TYR A 32 -7.470 17.457 11.766 1.00 73.45 H new ATOM 0 HD2 TYR A 32 -7.623 19.271 7.913 1.00 50.32 H new ATOM 0 HE1 TYR A 32 -6.696 15.360 10.749 1.00 31.24 H new ATOM 0 HE2 TYR A 32 -6.851 17.174 6.892 1.00 12.45 H new ATOM 0 HH TYR A 32 -6.227 15.080 7.219 1.00 43.12 H new ATOM 423 N ILE A 33 -9.274 18.667 13.253 1.00 10.33 N ATOM 424 CA ILE A 33 -9.367 17.577 14.217 1.00 23.53 C ATOM 425 C ILE A 33 -10.780 17.456 14.777 1.00 62.31 C ATOM 426 O ILE A 33 -11.422 16.412 14.656 1.00 34.34 O ATOM 427 CB ILE A 33 -8.379 17.771 15.382 1.00 15.45 C ATOM 428 CG1 ILE A 33 -6.982 17.296 14.981 1.00 60.33 C ATOM 429 CG2 ILE A 33 -8.864 17.025 16.617 1.00 61.31 C ATOM 430 CD1 ILE A 33 -6.343 18.141 13.900 1.00 53.01 C ATOM 0 H ILE A 33 -8.900 19.536 13.634 1.00 10.33 H new ATOM 0 HA ILE A 33 -9.112 16.661 13.684 1.00 23.53 H new ATOM 0 HB ILE A 33 -8.326 18.833 15.620 1.00 15.45 H new ATOM 0 HG12 ILE A 33 -6.339 17.300 15.861 1.00 60.33 H new ATOM 0 HG13 ILE A 33 -7.043 16.264 14.636 1.00 60.33 H new ATOM 0 HG21 ILE A 33 -8.155 17.171 17.432 1.00 61.31 H new ATOM 0 HG22 ILE A 33 -9.841 17.407 16.913 1.00 61.31 H new ATOM 0 HG23 ILE A 33 -8.943 15.961 16.392 1.00 61.31 H new ATOM 0 HD11 ILE A 33 -5.354 17.746 13.666 1.00 53.01 H new ATOM 0 HD12 ILE A 33 -6.964 18.117 13.005 1.00 53.01 H new ATOM 0 HD13 ILE A 33 -6.249 19.169 14.250 1.00 53.01 H new ATOM 441 N THR A 34 -11.262 18.534 15.390 1.00 33.02 N ATOM 442 CA THR A 34 -12.599 18.550 15.968 1.00 73.22 C ATOM 443 C THR A 34 -13.572 17.733 15.126 1.00 73.13 C ATOM 444 O THR A 34 -14.314 16.900 15.649 1.00 64.10 O ATOM 445 CB THR A 34 -13.136 19.987 16.104 1.00 23.14 C ATOM 446 OG1 THR A 34 -14.506 19.962 16.519 1.00 73.34 O ATOM 447 CG2 THR A 34 -13.014 20.736 14.786 1.00 65.15 C ATOM 0 H THR A 34 -10.745 19.407 15.498 1.00 33.02 H new ATOM 0 HA THR A 34 -12.519 18.105 16.960 1.00 73.22 H new ATOM 0 HB THR A 34 -12.539 20.504 16.855 1.00 23.14 H new ATOM 0 HG1 THR A 34 -14.839 20.880 16.604 1.00 73.34 H new ATOM 0 HG21 THR A 34 -13.399 21.749 14.906 1.00 65.15 H new ATOM 0 HG22 THR A 34 -11.966 20.779 14.488 1.00 65.15 H new ATOM 0 HG23 THR A 34 -13.589 20.218 14.018 1.00 65.15 H new ATOM 455 N ASP A 35 -13.565 17.976 13.820 1.00 64.20 N ATOM 456 CA ASP A 35 -14.447 17.262 12.903 1.00 33.13 C ATOM 457 C ASP A 35 -14.201 15.758 12.975 1.00 34.43 C ATOM 458 O ASP A 35 -15.095 14.988 13.326 1.00 35.25 O ATOM 459 CB ASP A 35 -14.239 17.757 11.472 1.00 43.12 C ATOM 460 CG ASP A 35 -15.532 18.216 10.826 1.00 24.24 C ATOM 461 OD1 ASP A 35 -16.530 17.470 10.899 1.00 61.21 O ATOM 462 OD2 ASP A 35 -15.545 19.323 10.247 1.00 15.14 O ATOM 0 H ASP A 35 -12.958 18.662 13.372 1.00 64.20 H new ATOM 0 HA ASP A 35 -15.477 17.459 13.201 1.00 33.13 H new ATOM 0 HB2 ASP A 35 -13.525 18.581 11.475 1.00 43.12 H new ATOM 0 HB3 ASP A 35 -13.801 16.958 10.874 1.00 43.12 H new ATOM 466 N LYS A 36 -12.983 15.346 12.639 1.00 73.21 N ATOM 467 CA LYS A 36 -12.618 13.935 12.665 1.00 53.11 C ATOM 468 C LYS A 36 -12.555 13.415 14.098 1.00 63.15 C ATOM 469 O LYS A 36 -12.565 12.206 14.331 1.00 63.42 O ATOM 470 CB LYS A 36 -11.269 13.723 11.975 1.00 65.42 C ATOM 471 CG LYS A 36 -10.136 14.524 12.594 1.00 72.24 C ATOM 472 CD LYS A 36 -9.695 13.931 13.922 1.00 71.11 C ATOM 473 CE LYS A 36 -8.179 13.906 14.044 1.00 73.25 C ATOM 474 NZ LYS A 36 -7.737 13.916 15.466 1.00 25.34 N ATOM 0 H LYS A 36 -12.232 15.970 12.345 1.00 73.21 H new ATOM 0 HA LYS A 36 -13.386 13.377 12.128 1.00 53.11 H new ATOM 0 HB2 LYS A 36 -11.015 12.664 12.010 1.00 65.42 H new ATOM 0 HB3 LYS A 36 -11.362 13.994 10.923 1.00 65.42 H new ATOM 0 HG2 LYS A 36 -9.290 14.550 11.907 1.00 72.24 H new ATOM 0 HG3 LYS A 36 -10.457 15.555 12.743 1.00 72.24 H new ATOM 0 HD2 LYS A 36 -10.118 14.514 14.740 1.00 71.11 H new ATOM 0 HD3 LYS A 36 -10.086 12.918 14.017 1.00 71.11 H new ATOM 0 HE2 LYS A 36 -7.789 13.017 13.549 1.00 73.25 H new ATOM 0 HE3 LYS A 36 -7.759 14.769 13.527 1.00 73.25 H new ATOM 0 HZ1 LYS A 36 -7.044 14.678 15.609 1.00 25.34 H new ATOM 0 HZ2 LYS A 36 -8.559 14.074 16.084 1.00 25.34 H new ATOM 0 HZ3 LYS A 36 -7.299 13.002 15.700 1.00 25.34 H new ATOM 484 N ALA A 37 -12.492 14.335 15.053 1.00 12.35 N ATOM 485 CA ALA A 37 -12.431 13.969 16.464 1.00 3.32 C ATOM 486 C ALA A 37 -13.748 13.357 16.929 1.00 1.43 C ATOM 487 O ALA A 37 -13.759 12.376 17.673 1.00 5.40 O ATOM 488 CB ALA A 37 -12.085 15.185 17.310 1.00 20.54 C ATOM 0 H ALA A 37 -12.482 15.340 14.877 1.00 12.35 H new ATOM 0 HA ALA A 37 -11.648 13.220 16.586 1.00 3.32 H new ATOM 0 HB1 ALA A 37 -12.043 14.897 18.361 1.00 20.54 H new ATOM 0 HB2 ALA A 37 -11.116 15.579 17.002 1.00 20.54 H new ATOM 0 HB3 ALA A 37 -12.848 15.952 17.174 1.00 20.54 H new ATOM 494 N ASP A 38 -14.856 13.942 16.487 1.00 32.04 N ATOM 495 CA ASP A 38 -16.179 13.454 16.858 1.00 23.42 C ATOM 496 C ASP A 38 -16.444 12.082 16.245 1.00 22.42 C ATOM 497 O ASP A 38 -17.312 11.341 16.706 1.00 63.25 O ATOM 498 CB ASP A 38 -17.256 14.444 16.410 1.00 60.44 C ATOM 499 CG ASP A 38 -18.494 14.385 17.282 1.00 52.12 C ATOM 500 OD1 ASP A 38 -18.349 14.426 18.521 1.00 44.50 O ATOM 501 OD2 ASP A 38 -19.609 14.298 16.725 1.00 34.31 O ATOM 0 H ASP A 38 -14.864 14.755 15.871 1.00 32.04 H new ATOM 0 HA ASP A 38 -16.213 13.360 17.943 1.00 23.42 H new ATOM 0 HB2 ASP A 38 -16.848 15.455 16.431 1.00 60.44 H new ATOM 0 HB3 ASP A 38 -17.532 14.233 15.377 1.00 60.44 H new ATOM 505 N LYS A 39 -15.690 11.752 15.201 1.00 51.13 N ATOM 506 CA LYS A 39 -15.843 10.470 14.523 1.00 74.25 C ATOM 507 C LYS A 39 -14.839 9.450 15.054 1.00 4.44 C ATOM 508 O LYS A 39 -15.201 8.320 15.379 1.00 63.23 O ATOM 509 CB LYS A 39 -15.659 10.643 13.014 1.00 40.03 C ATOM 510 CG LYS A 39 -16.546 9.730 12.185 1.00 63.40 C ATOM 511 CD LYS A 39 -15.928 9.435 10.828 1.00 34.41 C ATOM 512 CE LYS A 39 -15.951 10.660 9.926 1.00 75.32 C ATOM 513 NZ LYS A 39 -14.775 10.699 9.014 1.00 2.04 N ATOM 0 H LYS A 39 -14.968 12.354 14.807 1.00 51.13 H new ATOM 0 HA LYS A 39 -16.849 10.101 14.721 1.00 74.25 H new ATOM 0 HB2 LYS A 39 -15.868 11.679 12.747 1.00 40.03 H new ATOM 0 HB3 LYS A 39 -14.616 10.452 12.759 1.00 40.03 H new ATOM 0 HG2 LYS A 39 -16.711 8.796 12.722 1.00 63.40 H new ATOM 0 HG3 LYS A 39 -17.522 10.195 12.048 1.00 63.40 H new ATOM 0 HD2 LYS A 39 -14.900 9.099 10.961 1.00 34.41 H new ATOM 0 HD3 LYS A 39 -16.470 8.620 10.350 1.00 34.41 H new ATOM 0 HE2 LYS A 39 -16.868 10.660 9.337 1.00 75.32 H new ATOM 0 HE3 LYS A 39 -15.966 11.562 10.538 1.00 75.32 H new ATOM 0 HZ1 LYS A 39 -14.827 11.548 8.416 1.00 2.04 H new ATOM 0 HZ2 LYS A 39 -13.900 10.725 9.576 1.00 2.04 H new ATOM 0 HZ3 LYS A 39 -14.774 9.851 8.412 1.00 2.04 H new ATOM 523 N VAL A 40 -13.577 9.860 15.141 1.00 10.42 N ATOM 524 CA VAL A 40 -12.523 8.983 15.636 1.00 24.14 C ATOM 525 C VAL A 40 -12.849 8.464 17.031 1.00 20.44 C ATOM 526 O VAL A 40 -12.168 7.580 17.551 1.00 62.31 O ATOM 527 CB VAL A 40 -11.163 9.707 15.673 1.00 3.24 C ATOM 528 CG1 VAL A 40 -10.710 10.065 14.267 1.00 24.11 C ATOM 529 CG2 VAL A 40 -11.245 10.949 16.549 1.00 65.34 C ATOM 0 H VAL A 40 -13.261 10.793 14.875 1.00 10.42 H new ATOM 0 HA VAL A 40 -12.460 8.142 14.945 1.00 24.14 H new ATOM 0 HB VAL A 40 -10.424 9.033 16.106 1.00 3.24 H new ATOM 0 HG11 VAL A 40 -9.748 10.575 14.314 1.00 24.11 H new ATOM 0 HG12 VAL A 40 -10.610 9.156 13.674 1.00 24.11 H new ATOM 0 HG13 VAL A 40 -11.447 10.721 13.803 1.00 24.11 H new ATOM 0 HG21 VAL A 40 -10.276 11.448 16.564 1.00 65.34 H new ATOM 0 HG22 VAL A 40 -11.997 11.628 16.148 1.00 65.34 H new ATOM 0 HG23 VAL A 40 -11.521 10.661 17.564 1.00 65.34 H new ATOM 539 N ALA A 41 -13.895 9.020 17.634 1.00 70.44 N ATOM 540 CA ALA A 41 -14.313 8.611 18.969 1.00 14.00 C ATOM 541 C ALA A 41 -15.341 7.487 18.903 1.00 44.45 C ATOM 542 O ALA A 41 -15.394 6.627 19.780 1.00 34.25 O ATOM 543 CB ALA A 41 -14.877 9.800 19.733 1.00 24.32 C ATOM 0 H ALA A 41 -14.468 9.755 17.219 1.00 70.44 H new ATOM 0 HA ALA A 41 -13.437 8.236 19.497 1.00 14.00 H new ATOM 0 HB1 ALA A 41 -15.185 9.480 20.728 1.00 24.32 H new ATOM 0 HB2 ALA A 41 -14.113 10.572 19.821 1.00 24.32 H new ATOM 0 HB3 ALA A 41 -15.738 10.201 19.198 1.00 24.32 H new ATOM 549 N GLY A 42 -16.160 7.501 17.855 1.00 64.44 N ATOM 550 CA GLY A 42 -17.177 6.478 17.693 1.00 40.30 C ATOM 551 C GLY A 42 -16.696 5.309 16.857 1.00 31.24 C ATOM 552 O GLY A 42 -17.444 4.363 16.610 1.00 11.45 O ATOM 0 H GLY A 42 -16.137 8.203 17.115 1.00 64.44 H new ATOM 0 HA2 GLY A 42 -17.484 6.117 18.675 1.00 40.30 H new ATOM 0 HA3 GLY A 42 -18.058 6.917 17.225 1.00 40.30 H new ATOM 555 N LYS A 43 -15.443 5.373 16.419 1.00 12.04 N ATOM 556 CA LYS A 43 -14.862 4.312 15.606 1.00 24.11 C ATOM 557 C LYS A 43 -13.619 3.732 16.275 1.00 43.25 C ATOM 558 O LYS A 43 -13.346 2.537 16.169 1.00 72.30 O ATOM 559 CB LYS A 43 -14.504 4.844 14.216 1.00 4.14 C ATOM 560 CG LYS A 43 -13.630 6.087 14.247 1.00 72.24 C ATOM 561 CD LYS A 43 -12.160 5.738 14.091 1.00 61.23 C ATOM 562 CE LYS A 43 -11.905 4.958 12.809 1.00 33.22 C ATOM 563 NZ LYS A 43 -10.778 5.534 12.025 1.00 62.43 N ATOM 0 H LYS A 43 -14.810 6.149 16.614 1.00 12.04 H new ATOM 0 HA LYS A 43 -15.603 3.519 15.505 1.00 24.11 H new ATOM 0 HB2 LYS A 43 -13.989 4.062 13.658 1.00 4.14 H new ATOM 0 HB3 LYS A 43 -15.423 5.069 13.675 1.00 4.14 H new ATOM 0 HG2 LYS A 43 -13.931 6.765 13.448 1.00 72.24 H new ATOM 0 HG3 LYS A 43 -13.782 6.616 15.188 1.00 72.24 H new ATOM 0 HD2 LYS A 43 -11.566 6.652 14.086 1.00 61.23 H new ATOM 0 HD3 LYS A 43 -11.832 5.149 14.948 1.00 61.23 H new ATOM 0 HE2 LYS A 43 -11.684 3.919 13.054 1.00 33.22 H new ATOM 0 HE3 LYS A 43 -12.808 4.956 12.199 1.00 33.22 H new ATOM 0 HZ1 LYS A 43 -10.636 4.975 11.160 1.00 62.43 H new ATOM 0 HZ2 LYS A 43 -11.000 6.517 11.769 1.00 62.43 H new ATOM 0 HZ3 LYS A 43 -9.910 5.512 12.598 1.00 62.43 H new ATOM 573 N VAL A 44 -12.870 4.587 16.964 1.00 24.30 N ATOM 574 CA VAL A 44 -11.658 4.159 17.652 1.00 21.21 C ATOM 575 C VAL A 44 -11.812 2.748 18.208 1.00 32.13 C ATOM 576 O VAL A 44 -10.940 1.898 18.021 1.00 4.41 O ATOM 577 CB VAL A 44 -11.298 5.117 18.803 1.00 73.13 C ATOM 578 CG1 VAL A 44 -12.555 5.585 19.521 1.00 74.44 C ATOM 579 CG2 VAL A 44 -10.339 4.446 19.774 1.00 22.40 C ATOM 0 H VAL A 44 -13.081 5.580 17.061 1.00 24.30 H new ATOM 0 HA VAL A 44 -10.854 4.171 16.916 1.00 21.21 H new ATOM 0 HB VAL A 44 -10.801 5.991 18.383 1.00 73.13 H new ATOM 0 HG11 VAL A 44 -12.281 6.261 20.331 1.00 74.44 H new ATOM 0 HG12 VAL A 44 -13.203 6.106 18.817 1.00 74.44 H new ATOM 0 HG13 VAL A 44 -13.082 4.723 19.930 1.00 74.44 H new ATOM 0 HG21 VAL A 44 -10.095 5.137 20.581 1.00 22.40 H new ATOM 0 HG22 VAL A 44 -10.807 3.554 20.190 1.00 22.40 H new ATOM 0 HG23 VAL A 44 -9.426 4.166 19.248 1.00 22.40 H new ATOM 589 N GLN A 45 -12.924 2.505 18.893 1.00 1.11 N ATOM 590 CA GLN A 45 -13.191 1.197 19.477 1.00 54.03 C ATOM 591 C GLN A 45 -13.204 0.113 18.403 1.00 42.22 C ATOM 592 O GLN A 45 -14.092 0.059 17.552 1.00 62.11 O ATOM 593 CB GLN A 45 -14.529 1.209 20.221 1.00 23.25 C ATOM 594 CG GLN A 45 -14.738 2.451 21.072 1.00 42.34 C ATOM 595 CD GLN A 45 -15.753 2.236 22.177 1.00 54.51 C ATOM 596 OE1 GLN A 45 -15.477 2.498 23.348 1.00 14.50 O ATOM 597 NE2 GLN A 45 -16.935 1.754 21.811 1.00 3.32 N ATOM 0 H GLN A 45 -13.655 3.197 19.057 1.00 1.11 H new ATOM 0 HA GLN A 45 -12.392 0.974 20.184 1.00 54.03 H new ATOM 0 HB2 GLN A 45 -15.340 1.134 19.496 1.00 23.25 H new ATOM 0 HB3 GLN A 45 -14.589 0.327 20.859 1.00 23.25 H new ATOM 0 HG2 GLN A 45 -13.786 2.751 21.511 1.00 42.34 H new ATOM 0 HG3 GLN A 45 -15.068 3.272 20.435 1.00 42.34 H new ATOM 0 HE21 GLN A 45 -17.121 1.551 20.829 1.00 3.32 H new ATOM 0 HE22 GLN A 45 -17.657 1.587 22.512 1.00 3.32 H new ATOM 604 N PRO A 46 -12.197 -0.770 18.441 1.00 32.24 N ATOM 605 CA PRO A 46 -12.069 -1.869 17.478 1.00 4.32 C ATOM 606 C PRO A 46 -13.141 -2.935 17.671 1.00 51.42 C ATOM 607 O PRO A 46 -13.386 -3.749 16.780 1.00 40.30 O ATOM 608 CB PRO A 46 -10.682 -2.444 17.777 1.00 55.51 C ATOM 609 CG PRO A 46 -10.424 -2.089 19.201 1.00 61.33 C ATOM 610 CD PRO A 46 -11.103 -0.766 19.428 1.00 3.10 C ATOM 0 HA PRO A 46 -12.190 -1.527 16.450 1.00 4.32 H new ATOM 0 HB2 PRO A 46 -10.660 -3.524 17.628 1.00 55.51 H new ATOM 0 HB3 PRO A 46 -9.926 -2.016 17.119 1.00 55.51 H new ATOM 0 HG2 PRO A 46 -10.821 -2.851 19.871 1.00 61.33 H new ATOM 0 HG3 PRO A 46 -9.354 -2.017 19.398 1.00 61.33 H new ATOM 0 HD2 PRO A 46 -11.481 -0.678 20.447 1.00 3.10 H new ATOM 0 HD3 PRO A 46 -10.420 0.069 19.268 1.00 3.10 H new ATOM 615 N GLU A 47 -13.777 -2.925 18.838 1.00 2.23 N ATOM 616 CA GLU A 47 -14.824 -3.893 19.146 1.00 20.23 C ATOM 617 C GLU A 47 -16.190 -3.378 18.700 1.00 34.44 C ATOM 618 O GLU A 47 -17.206 -4.047 18.884 1.00 12.31 O ATOM 619 CB GLU A 47 -14.845 -4.195 20.646 1.00 2.10 C ATOM 620 CG GLU A 47 -13.465 -4.412 21.243 1.00 61.43 C ATOM 621 CD GLU A 47 -13.515 -5.090 22.598 1.00 50.42 C ATOM 622 OE1 GLU A 47 -14.090 -4.499 23.536 1.00 33.43 O ATOM 623 OE2 GLU A 47 -12.981 -6.212 22.720 1.00 71.33 O ATOM 0 H GLU A 47 -13.586 -2.258 19.586 1.00 2.23 H new ATOM 0 HA GLU A 47 -14.606 -4.811 18.601 1.00 20.23 H new ATOM 0 HB2 GLU A 47 -15.331 -3.370 21.167 1.00 2.10 H new ATOM 0 HB3 GLU A 47 -15.451 -5.084 20.821 1.00 2.10 H new ATOM 0 HG2 GLU A 47 -12.869 -5.017 20.560 1.00 61.43 H new ATOM 0 HG3 GLU A 47 -12.960 -3.451 21.340 1.00 61.43 H new ATOM 628 N ASP A 48 -16.202 -2.187 18.114 1.00 44.42 N ATOM 629 CA ASP A 48 -17.443 -1.581 17.641 1.00 72.42 C ATOM 630 C ASP A 48 -17.766 -2.044 16.224 1.00 42.41 C ATOM 631 O ASP A 48 -18.687 -1.531 15.589 1.00 42.31 O ATOM 632 CB ASP A 48 -17.338 -0.056 17.681 1.00 2.24 C ATOM 633 CG ASP A 48 -18.694 0.618 17.619 1.00 2.53 C ATOM 634 OD1 ASP A 48 -19.571 0.265 18.435 1.00 55.32 O ATOM 635 OD2 ASP A 48 -18.879 1.502 16.755 1.00 34.34 O ATOM 0 H ASP A 48 -15.368 -1.621 17.955 1.00 44.42 H new ATOM 0 HA ASP A 48 -18.250 -1.899 18.301 1.00 72.42 H new ATOM 0 HB2 ASP A 48 -16.826 0.246 18.595 1.00 2.24 H new ATOM 0 HB3 ASP A 48 -16.727 0.286 16.845 1.00 2.24 H new ATOM 639 N ASN A 49 -17.003 -3.015 15.734 1.00 21.32 N ATOM 640 CA ASN A 49 -17.208 -3.545 14.391 1.00 34.23 C ATOM 641 C ASN A 49 -18.604 -4.146 14.251 1.00 24.23 C ATOM 642 O ASN A 49 -19.138 -4.252 13.147 1.00 24.41 O ATOM 643 CB ASN A 49 -16.150 -4.603 14.071 1.00 74.03 C ATOM 644 CG ASN A 49 -16.270 -5.130 12.655 1.00 71.22 C ATOM 645 OD1 ASN A 49 -16.010 -4.412 11.689 1.00 52.21 O ATOM 646 ND2 ASN A 49 -16.666 -6.391 12.524 1.00 75.12 N ATOM 0 H ASN A 49 -16.237 -3.451 16.247 1.00 21.32 H new ATOM 0 HA ASN A 49 -17.114 -2.721 13.683 1.00 34.23 H new ATOM 0 HB2 ASN A 49 -15.158 -4.175 14.214 1.00 74.03 H new ATOM 0 HB3 ASN A 49 -16.244 -5.431 14.773 1.00 74.03 H new ATOM 0 HD21 ASN A 49 -16.765 -6.801 11.595 1.00 75.12 H new ATOM 0 HD22 ASN A 49 -16.871 -6.950 13.352 1.00 75.12 H new ATOM 652 N LYS A 50 -19.188 -4.538 15.377 1.00 53.21 N ATOM 653 CA LYS A 50 -20.522 -5.126 15.383 1.00 65.35 C ATOM 654 C LYS A 50 -21.592 -4.049 15.537 1.00 54.14 C ATOM 655 O LYS A 50 -22.696 -4.177 15.008 1.00 24.15 O ATOM 656 CB LYS A 50 -20.647 -6.150 16.514 1.00 21.44 C ATOM 657 CG LYS A 50 -20.499 -7.588 16.051 1.00 61.55 C ATOM 658 CD LYS A 50 -19.373 -8.298 16.785 1.00 61.12 C ATOM 659 CE LYS A 50 -19.427 -9.803 16.568 1.00 4.42 C ATOM 660 NZ LYS A 50 -19.299 -10.552 17.848 1.00 34.21 N ATOM 0 H LYS A 50 -18.758 -4.459 16.299 1.00 53.21 H new ATOM 0 HA LYS A 50 -20.673 -5.629 14.428 1.00 65.35 H new ATOM 0 HB2 LYS A 50 -19.889 -5.940 17.268 1.00 21.44 H new ATOM 0 HB3 LYS A 50 -21.617 -6.030 16.996 1.00 21.44 H new ATOM 0 HG2 LYS A 50 -21.435 -8.122 16.215 1.00 61.55 H new ATOM 0 HG3 LYS A 50 -20.305 -7.608 14.979 1.00 61.55 H new ATOM 0 HD2 LYS A 50 -18.413 -7.914 16.440 1.00 61.12 H new ATOM 0 HD3 LYS A 50 -19.438 -8.081 17.851 1.00 61.12 H new ATOM 0 HE2 LYS A 50 -20.368 -10.067 16.085 1.00 4.42 H new ATOM 0 HE3 LYS A 50 -18.627 -10.101 15.891 1.00 4.42 H new ATOM 0 HZ1 LYS A 50 -19.340 -11.574 17.658 1.00 34.21 H new ATOM 0 HZ2 LYS A 50 -18.390 -10.320 18.297 1.00 34.21 H new ATOM 0 HZ3 LYS A 50 -20.077 -10.287 18.485 1.00 34.21 H new ATOM 670 N GLY A 51 -21.257 -2.989 16.265 1.00 63.50 N ATOM 671 CA GLY A 51 -22.199 -1.905 16.474 1.00 22.22 C ATOM 672 C GLY A 51 -22.802 -1.403 15.177 1.00 3.24 C ATOM 673 O GLY A 51 -23.910 -0.868 15.166 1.00 4.42 O ATOM 0 H GLY A 51 -20.350 -2.861 16.714 1.00 63.50 H new ATOM 0 HA2 GLY A 51 -22.997 -2.243 17.135 1.00 22.22 H new ATOM 0 HA3 GLY A 51 -21.694 -1.081 16.979 1.00 22.22 H new ATOM 676 N VAL A 52 -22.070 -1.573 14.080 1.00 52.42 N ATOM 677 CA VAL A 52 -22.539 -1.132 12.772 1.00 50.34 C ATOM 678 C VAL A 52 -23.715 -1.979 12.297 1.00 61.33 C ATOM 679 O VAL A 52 -24.663 -1.466 11.703 1.00 42.45 O ATOM 680 CB VAL A 52 -21.415 -1.198 11.722 1.00 43.21 C ATOM 681 CG1 VAL A 52 -20.231 -0.347 12.154 1.00 70.43 C ATOM 682 CG2 VAL A 52 -20.990 -2.639 11.486 1.00 62.54 C ATOM 0 H VAL A 52 -21.150 -2.013 14.072 1.00 52.42 H new ATOM 0 HA VAL A 52 -22.862 -0.097 12.883 1.00 50.34 H new ATOM 0 HB VAL A 52 -21.795 -0.798 10.782 1.00 43.21 H new ATOM 0 HG11 VAL A 52 -19.446 -0.406 11.400 1.00 70.43 H new ATOM 0 HG12 VAL A 52 -20.550 0.689 12.266 1.00 70.43 H new ATOM 0 HG13 VAL A 52 -19.847 -0.714 13.106 1.00 70.43 H new ATOM 0 HG21 VAL A 52 -20.195 -2.666 10.741 1.00 62.54 H new ATOM 0 HG22 VAL A 52 -20.627 -3.069 12.420 1.00 62.54 H new ATOM 0 HG23 VAL A 52 -21.843 -3.216 11.128 1.00 62.54 H new ATOM 692 N PHE A 53 -23.646 -3.279 12.562 1.00 63.34 N ATOM 693 CA PHE A 53 -24.704 -4.198 12.160 1.00 60.32 C ATOM 694 C PHE A 53 -25.779 -4.295 13.238 1.00 72.11 C ATOM 695 O PHE A 53 -26.811 -4.938 13.046 1.00 64.42 O ATOM 696 CB PHE A 53 -24.124 -5.586 11.876 1.00 54.30 C ATOM 697 CG PHE A 53 -23.208 -5.621 10.686 1.00 34.23 C ATOM 698 CD1 PHE A 53 -23.722 -5.616 9.400 1.00 35.13 C ATOM 699 CD2 PHE A 53 -21.833 -5.659 10.855 1.00 10.32 C ATOM 700 CE1 PHE A 53 -22.882 -5.648 8.303 1.00 70.54 C ATOM 701 CE2 PHE A 53 -20.988 -5.690 9.762 1.00 71.22 C ATOM 702 CZ PHE A 53 -21.513 -5.686 8.484 1.00 75.34 C ATOM 0 H PHE A 53 -22.869 -3.720 13.053 1.00 63.34 H new ATOM 0 HA PHE A 53 -25.161 -3.810 11.250 1.00 60.32 H new ATOM 0 HB2 PHE A 53 -23.578 -5.930 12.755 1.00 54.30 H new ATOM 0 HB3 PHE A 53 -24.943 -6.287 11.715 1.00 54.30 H new ATOM 0 HD1 PHE A 53 -24.792 -5.587 9.253 1.00 35.13 H new ATOM 0 HD2 PHE A 53 -21.417 -5.664 11.852 1.00 10.32 H new ATOM 0 HE1 PHE A 53 -23.295 -5.643 7.305 1.00 70.54 H new ATOM 0 HE2 PHE A 53 -19.918 -5.717 9.907 1.00 71.22 H new ATOM 0 HZ PHE A 53 -20.855 -5.713 7.628 1.00 75.34 H new ATOM 711 N GLN A 54 -25.528 -3.652 14.374 1.00 15.53 N ATOM 712 CA GLN A 54 -26.474 -3.666 15.484 1.00 52.11 C ATOM 713 C GLN A 54 -27.826 -3.104 15.056 1.00 33.42 C ATOM 714 O GLN A 54 -28.858 -3.427 15.642 1.00 71.23 O ATOM 715 CB GLN A 54 -25.923 -2.859 16.661 1.00 52.23 C ATOM 716 CG GLN A 54 -26.927 -2.659 17.784 1.00 53.40 C ATOM 717 CD GLN A 54 -27.266 -3.950 18.503 1.00 35.50 C ATOM 718 OE1 GLN A 54 -26.412 -4.823 18.671 1.00 44.24 O ATOM 719 NE2 GLN A 54 -28.515 -4.080 18.932 1.00 41.32 N ATOM 0 H GLN A 54 -24.679 -3.115 14.550 1.00 15.53 H new ATOM 0 HA GLN A 54 -26.614 -4.701 15.795 1.00 52.11 H new ATOM 0 HB2 GLN A 54 -25.043 -3.365 17.058 1.00 52.23 H new ATOM 0 HB3 GLN A 54 -25.595 -1.884 16.300 1.00 52.23 H new ATOM 0 HG2 GLN A 54 -26.526 -1.943 18.501 1.00 53.40 H new ATOM 0 HG3 GLN A 54 -27.840 -2.224 17.377 1.00 53.40 H new ATOM 0 HE21 GLN A 54 -29.190 -3.332 18.771 1.00 41.32 H new ATOM 0 HE22 GLN A 54 -28.800 -4.928 19.422 1.00 41.32 H new ATOM 726 N GLY A 55 -27.811 -2.261 14.028 1.00 12.42 N ATOM 727 CA GLY A 55 -29.042 -1.667 13.539 1.00 32.33 C ATOM 728 C GLY A 55 -29.688 -2.491 12.444 1.00 65.32 C ATOM 729 O GLY A 55 -30.881 -2.787 12.501 1.00 55.44 O ATOM 0 H GLY A 55 -26.969 -1.979 13.525 1.00 12.42 H new ATOM 0 HA2 GLY A 55 -29.742 -1.556 14.367 1.00 32.33 H new ATOM 0 HA3 GLY A 55 -28.834 -0.666 13.161 1.00 32.33 H new ATOM 732 N VAL A 56 -28.899 -2.861 11.439 1.00 35.24 N ATOM 733 CA VAL A 56 -29.400 -3.655 10.325 1.00 34.02 C ATOM 734 C VAL A 56 -29.855 -5.033 10.793 1.00 74.01 C ATOM 735 O VAL A 56 -30.834 -5.582 10.286 1.00 63.21 O ATOM 736 CB VAL A 56 -28.330 -3.824 9.230 1.00 53.13 C ATOM 737 CG1 VAL A 56 -27.938 -2.473 8.653 1.00 34.34 C ATOM 738 CG2 VAL A 56 -27.113 -4.552 9.782 1.00 0.40 C ATOM 0 H VAL A 56 -27.909 -2.623 11.375 1.00 35.24 H new ATOM 0 HA VAL A 56 -30.252 -3.116 9.910 1.00 34.02 H new ATOM 0 HB VAL A 56 -28.751 -4.427 8.425 1.00 53.13 H new ATOM 0 HG11 VAL A 56 -27.181 -2.613 7.881 1.00 34.34 H new ATOM 0 HG12 VAL A 56 -28.816 -1.995 8.218 1.00 34.34 H new ATOM 0 HG13 VAL A 56 -27.536 -1.842 9.445 1.00 34.34 H new ATOM 0 HG21 VAL A 56 -26.367 -4.663 8.995 1.00 0.40 H new ATOM 0 HG22 VAL A 56 -26.689 -3.978 10.606 1.00 0.40 H new ATOM 0 HG23 VAL A 56 -27.410 -5.537 10.141 1.00 0.40 H new ATOM 748 N HIS A 57 -29.139 -5.588 11.765 1.00 32.34 N ATOM 749 CA HIS A 57 -29.469 -6.903 12.304 1.00 71.05 C ATOM 750 C HIS A 57 -30.946 -6.982 12.676 1.00 5.12 C ATOM 751 O HIS A 57 -31.653 -7.900 12.260 1.00 64.34 O ATOM 752 CB HIS A 57 -28.606 -7.208 13.528 1.00 24.14 C ATOM 753 CG HIS A 57 -28.818 -8.582 14.084 1.00 15.11 C ATOM 754 ND1 HIS A 57 -27.931 -9.619 13.888 1.00 64.15 N ATOM 755 CD2 HIS A 57 -29.824 -9.087 14.836 1.00 22.31 C ATOM 756 CE1 HIS A 57 -28.383 -10.703 14.493 1.00 63.45 C ATOM 757 NE2 HIS A 57 -29.530 -10.407 15.076 1.00 34.22 N ATOM 0 H HIS A 57 -28.326 -5.148 12.196 1.00 32.34 H new ATOM 0 HA HIS A 57 -29.266 -7.646 11.532 1.00 71.05 H new ATOM 0 HB2 HIS A 57 -27.556 -7.092 13.260 1.00 24.14 H new ATOM 0 HB3 HIS A 57 -28.820 -6.474 14.305 1.00 24.14 H new ATOM 0 HD2 HIS A 57 -30.696 -8.552 15.183 1.00 22.31 H new ATOM 0 HE1 HIS A 57 -27.897 -11.667 14.508 1.00 63.45 H new ATOM 0 HE2 HIS A 57 -30.104 -11.054 15.617 1.00 34.22 H new ATOM 764 N ASP A 58 -31.406 -6.015 13.462 1.00 21.24 N ATOM 765 CA ASP A 58 -32.799 -5.975 13.890 1.00 2.12 C ATOM 766 C ASP A 58 -33.718 -5.633 12.720 1.00 31.33 C ATOM 767 O ASP A 58 -34.920 -5.889 12.767 1.00 43.43 O ATOM 768 CB ASP A 58 -32.981 -4.952 15.012 1.00 13.42 C ATOM 769 CG ASP A 58 -34.387 -4.956 15.578 1.00 51.42 C ATOM 770 OD1 ASP A 58 -35.270 -4.305 14.980 1.00 74.42 O ATOM 771 OD2 ASP A 58 -34.606 -5.612 16.618 1.00 72.24 O ATOM 0 H ASP A 58 -30.834 -5.248 13.816 1.00 21.24 H new ATOM 0 HA ASP A 58 -33.067 -6.964 14.263 1.00 2.12 H new ATOM 0 HB2 ASP A 58 -32.270 -5.164 15.811 1.00 13.42 H new ATOM 0 HB3 ASP A 58 -32.748 -3.957 14.633 1.00 13.42 H new ATOM 775 N SER A 59 -33.141 -5.053 11.672 1.00 10.00 N ATOM 776 CA SER A 59 -33.909 -4.671 10.492 1.00 34.50 C ATOM 777 C SER A 59 -34.116 -5.868 9.569 1.00 63.54 C ATOM 778 O SER A 59 -35.089 -5.926 8.818 1.00 73.12 O ATOM 779 CB SER A 59 -33.197 -3.548 9.737 1.00 24.21 C ATOM 780 OG SER A 59 -34.011 -3.040 8.693 1.00 4.35 O ATOM 0 H SER A 59 -32.146 -4.838 11.616 1.00 10.00 H new ATOM 0 HA SER A 59 -34.885 -4.315 10.822 1.00 34.50 H new ATOM 0 HB2 SER A 59 -32.943 -2.744 10.428 1.00 24.21 H new ATOM 0 HB3 SER A 59 -32.260 -3.921 9.323 1.00 24.21 H new ATOM 0 HG SER A 59 -33.534 -2.322 8.226 1.00 4.35 H new ATOM 785 N ALA A 60 -33.192 -6.823 9.631 1.00 44.34 N ATOM 786 CA ALA A 60 -33.274 -8.019 8.803 1.00 22.22 C ATOM 787 C ALA A 60 -34.055 -9.123 9.508 1.00 4.14 C ATOM 788 O ALA A 60 -34.081 -10.265 9.051 1.00 20.22 O ATOM 789 CB ALA A 60 -31.878 -8.506 8.440 1.00 33.12 C ATOM 0 H ALA A 60 -32.379 -6.791 10.246 1.00 44.34 H new ATOM 0 HA ALA A 60 -33.807 -7.761 7.888 1.00 22.22 H new ATOM 0 HB1 ALA A 60 -31.954 -9.400 7.821 1.00 33.12 H new ATOM 0 HB2 ALA A 60 -31.353 -7.726 7.888 1.00 33.12 H new ATOM 0 HB3 ALA A 60 -31.326 -8.741 9.350 1.00 33.12 H new ATOM 795 N GLU A 61 -34.689 -8.773 10.623 1.00 74.50 N ATOM 796 CA GLU A 61 -35.469 -9.736 11.391 1.00 31.51 C ATOM 797 C GLU A 61 -36.465 -10.467 10.496 1.00 53.44 C ATOM 798 O GLU A 61 -36.736 -11.653 10.687 1.00 23.32 O ATOM 799 CB GLU A 61 -36.211 -9.032 12.530 1.00 31.42 C ATOM 800 CG GLU A 61 -37.150 -9.945 13.299 1.00 14.33 C ATOM 801 CD GLU A 61 -36.414 -11.019 14.077 1.00 1.32 C ATOM 802 OE1 GLU A 61 -35.212 -10.829 14.358 1.00 44.42 O ATOM 803 OE2 GLU A 61 -37.040 -12.049 14.405 1.00 22.13 O ATOM 0 H GLU A 61 -34.678 -7.831 11.014 1.00 74.50 H new ATOM 0 HA GLU A 61 -34.781 -10.468 11.813 1.00 31.51 H new ATOM 0 HB2 GLU A 61 -35.482 -8.609 13.221 1.00 31.42 H new ATOM 0 HB3 GLU A 61 -36.782 -8.199 12.120 1.00 31.42 H new ATOM 0 HG2 GLU A 61 -37.748 -9.348 13.988 1.00 14.33 H new ATOM 0 HG3 GLU A 61 -37.843 -10.417 12.602 1.00 14.33 H new ATOM 808 N LYS A 62 -37.008 -9.751 9.518 1.00 42.32 N ATOM 809 CA LYS A 62 -37.975 -10.328 8.591 1.00 60.25 C ATOM 810 C LYS A 62 -37.308 -11.354 7.680 1.00 75.35 C ATOM 811 O LYS A 62 -37.821 -12.456 7.490 1.00 55.21 O ATOM 812 CB LYS A 62 -38.625 -9.229 7.748 1.00 30.41 C ATOM 813 CG LYS A 62 -39.637 -9.752 6.743 1.00 2.12 C ATOM 814 CD LYS A 62 -40.944 -10.135 7.416 1.00 2.14 C ATOM 815 CE LYS A 62 -41.362 -11.552 7.054 1.00 1.43 C ATOM 816 NZ LYS A 62 -42.013 -11.613 5.716 1.00 73.43 N ATOM 0 H LYS A 62 -36.795 -8.768 9.346 1.00 42.32 H new ATOM 0 HA LYS A 62 -38.745 -10.831 9.175 1.00 60.25 H new ATOM 0 HB2 LYS A 62 -39.118 -8.518 8.411 1.00 30.41 H new ATOM 0 HB3 LYS A 62 -37.846 -8.682 7.216 1.00 30.41 H new ATOM 0 HG2 LYS A 62 -39.826 -8.991 5.986 1.00 2.12 H new ATOM 0 HG3 LYS A 62 -39.224 -10.619 6.227 1.00 2.12 H new ATOM 0 HD2 LYS A 62 -40.836 -10.051 8.497 1.00 2.14 H new ATOM 0 HD3 LYS A 62 -41.726 -9.436 7.119 1.00 2.14 H new ATOM 0 HE2 LYS A 62 -40.487 -12.202 7.062 1.00 1.43 H new ATOM 0 HE3 LYS A 62 -42.049 -11.932 7.810 1.00 1.43 H new ATOM 0 HZ1 LYS A 62 -42.283 -12.595 5.506 1.00 73.43 H new ATOM 0 HZ2 LYS A 62 -42.862 -11.013 5.715 1.00 73.43 H new ATOM 0 HZ3 LYS A 62 -41.349 -11.274 4.991 1.00 73.43 H new ATOM 826 N GLY A 63 -36.160 -10.985 7.119 1.00 13.33 N ATOM 827 CA GLY A 63 -35.442 -11.886 6.237 1.00 4.41 C ATOM 828 C GLY A 63 -34.566 -12.863 6.994 1.00 74.23 C ATOM 829 O GLY A 63 -33.813 -13.630 6.393 1.00 24.43 O ATOM 0 H GLY A 63 -35.715 -10.078 7.260 1.00 13.33 H new ATOM 0 HA2 GLY A 63 -36.157 -12.440 5.629 1.00 4.41 H new ATOM 0 HA3 GLY A 63 -34.825 -11.304 5.553 1.00 4.41 H new ATOM 832 N LYS A 64 -34.663 -12.839 8.320 1.00 60.42 N ATOM 833 CA LYS A 64 -33.873 -13.729 9.161 1.00 13.30 C ATOM 834 C LYS A 64 -34.775 -14.670 9.954 1.00 11.24 C ATOM 835 O LYS A 64 -34.414 -15.121 11.042 1.00 12.14 O ATOM 836 CB LYS A 64 -32.997 -12.917 10.118 1.00 12.21 C ATOM 837 CG LYS A 64 -31.763 -13.663 10.594 1.00 3.23 C ATOM 838 CD LYS A 64 -30.696 -13.721 9.514 1.00 32.13 C ATOM 839 CE LYS A 64 -29.397 -14.309 10.045 1.00 25.14 C ATOM 840 NZ LYS A 64 -29.535 -15.755 10.371 1.00 30.05 N ATOM 0 H LYS A 64 -35.282 -12.212 8.834 1.00 60.42 H new ATOM 0 HA LYS A 64 -33.233 -14.328 8.513 1.00 13.30 H new ATOM 0 HB2 LYS A 64 -32.686 -11.998 9.621 1.00 12.21 H new ATOM 0 HB3 LYS A 64 -33.592 -12.626 10.984 1.00 12.21 H new ATOM 0 HG2 LYS A 64 -31.359 -13.173 11.480 1.00 3.23 H new ATOM 0 HG3 LYS A 64 -32.040 -14.675 10.888 1.00 3.23 H new ATOM 0 HD2 LYS A 64 -31.054 -14.323 8.679 1.00 32.13 H new ATOM 0 HD3 LYS A 64 -30.512 -12.718 9.129 1.00 32.13 H new ATOM 0 HE2 LYS A 64 -28.609 -14.178 9.303 1.00 25.14 H new ATOM 0 HE3 LYS A 64 -29.089 -13.763 10.937 1.00 25.14 H new ATOM 0 HZ1 LYS A 64 -28.624 -16.122 10.714 1.00 30.05 H new ATOM 0 HZ2 LYS A 64 -30.257 -15.877 11.109 1.00 30.05 H new ATOM 0 HZ3 LYS A 64 -29.820 -16.277 9.518 1.00 30.05 H new ATOM 850 N ASP A 65 -35.948 -14.962 9.404 1.00 31.02 N ATOM 851 CA ASP A 65 -36.900 -15.851 10.060 1.00 60.43 C ATOM 852 C ASP A 65 -37.032 -17.165 9.295 1.00 65.11 C ATOM 853 O ASP A 65 -37.934 -17.959 9.558 1.00 25.32 O ATOM 854 CB ASP A 65 -38.266 -15.174 10.174 1.00 14.34 C ATOM 855 CG ASP A 65 -38.814 -15.211 11.588 1.00 74.13 C ATOM 856 OD1 ASP A 65 -38.616 -16.236 12.273 1.00 33.33 O ATOM 857 OD2 ASP A 65 -39.442 -14.217 12.008 1.00 24.14 O ATOM 0 H ASP A 65 -36.263 -14.596 8.505 1.00 31.02 H new ATOM 0 HA ASP A 65 -36.527 -16.069 11.060 1.00 60.43 H new ATOM 0 HB2 ASP A 65 -38.183 -14.138 9.846 1.00 14.34 H new ATOM 0 HB3 ASP A 65 -38.969 -15.666 9.502 1.00 14.34 H new ATOM 861 N ASN A 66 -36.127 -17.385 8.347 1.00 20.34 N ATOM 862 CA ASN A 66 -36.143 -18.601 7.542 1.00 52.02 C ATOM 863 C ASN A 66 -36.500 -19.814 8.397 1.00 31.41 C ATOM 864 O ASN A 66 -37.210 -20.714 7.951 1.00 50.32 O ATOM 865 CB ASN A 66 -34.784 -18.815 6.875 1.00 33.41 C ATOM 866 CG ASN A 66 -33.703 -19.188 7.872 1.00 74.44 C ATOM 867 OD1 ASN A 66 -32.956 -20.146 7.665 1.00 5.23 O ATOM 868 ND2 ASN A 66 -33.617 -18.434 8.961 1.00 11.03 N ATOM 0 H ASN A 66 -35.373 -16.737 8.117 1.00 20.34 H new ATOM 0 HA ASN A 66 -36.904 -18.486 6.770 1.00 52.02 H new ATOM 0 HB2 ASN A 66 -34.870 -19.602 6.125 1.00 33.41 H new ATOM 0 HB3 ASN A 66 -34.492 -17.905 6.350 1.00 33.41 H new ATOM 0 HD21 ASN A 66 -32.911 -18.638 9.668 1.00 11.03 H new ATOM 0 HD22 ASN A 66 -34.257 -17.650 9.091 1.00 11.03 H new ATOM 874 N ALA A 67 -36.001 -19.829 9.629 1.00 52.12 N ATOM 875 CA ALA A 67 -36.268 -20.929 10.548 1.00 74.04 C ATOM 876 C ALA A 67 -37.764 -21.210 10.648 1.00 70.44 C ATOM 877 O ALA A 67 -38.216 -22.319 10.369 1.00 34.41 O ATOM 878 CB ALA A 67 -35.694 -20.620 11.923 1.00 43.11 C ATOM 0 H ALA A 67 -35.410 -19.092 10.014 1.00 52.12 H new ATOM 0 HA ALA A 67 -35.782 -21.823 10.156 1.00 74.04 H new ATOM 0 HB1 ALA A 67 -35.901 -21.450 12.599 1.00 43.11 H new ATOM 0 HB2 ALA A 67 -34.616 -20.477 11.844 1.00 43.11 H new ATOM 0 HB3 ALA A 67 -36.153 -19.712 12.313 1.00 43.11 H new ATOM 884 N GLU A 68 -38.526 -20.197 11.048 1.00 52.43 N ATOM 885 CA GLU A 68 -39.971 -20.337 11.185 1.00 15.13 C ATOM 886 C GLU A 68 -40.678 -19.991 9.879 1.00 65.11 C ATOM 887 O GLU A 68 -40.182 -19.193 9.083 1.00 53.30 O ATOM 888 CB GLU A 68 -40.487 -19.439 12.312 1.00 43.14 C ATOM 889 CG GLU A 68 -41.953 -19.662 12.645 1.00 61.43 C ATOM 890 CD GLU A 68 -42.459 -18.715 13.716 1.00 74.25 C ATOM 891 OE1 GLU A 68 -41.835 -18.653 14.796 1.00 0.30 O ATOM 892 OE2 GLU A 68 -43.480 -18.037 13.473 1.00 33.54 O ATOM 0 H GLU A 68 -38.167 -19.271 11.283 1.00 52.43 H new ATOM 0 HA GLU A 68 -40.188 -21.377 11.430 1.00 15.13 H new ATOM 0 HB2 GLU A 68 -39.889 -19.613 13.207 1.00 43.14 H new ATOM 0 HB3 GLU A 68 -40.342 -18.396 12.030 1.00 43.14 H new ATOM 0 HG2 GLU A 68 -42.550 -19.535 11.742 1.00 61.43 H new ATOM 0 HG3 GLU A 68 -42.094 -20.690 12.979 1.00 61.43 H new ATOM 897 N GLY A 69 -41.842 -20.596 9.663 1.00 34.32 N ATOM 898 CA GLY A 69 -42.599 -20.341 8.452 1.00 22.10 C ATOM 899 C GLY A 69 -43.947 -21.034 8.453 1.00 72.01 C ATOM 900 O GLY A 69 -44.986 -20.381 8.372 1.00 43.41 O ATOM 0 H GLY A 69 -42.274 -21.259 10.306 1.00 34.32 H new ATOM 0 HA2 GLY A 69 -42.746 -19.267 8.339 1.00 22.10 H new ATOM 0 HA3 GLY A 69 -42.023 -20.676 7.590 1.00 22.10 H new ATOM 903 N GLN A 70 -43.928 -22.360 8.544 1.00 53.43 N ATOM 904 CA GLN A 70 -45.160 -23.141 8.554 1.00 42.25 C ATOM 905 C GLN A 70 -46.126 -22.624 9.614 1.00 11.24 C ATOM 906 O GLN A 70 -45.789 -22.561 10.796 1.00 43.31 O ATOM 907 CB GLN A 70 -44.850 -24.618 8.805 1.00 14.24 C ATOM 908 CG GLN A 70 -44.235 -25.323 7.608 1.00 61.22 C ATOM 909 CD GLN A 70 -45.173 -25.378 6.418 1.00 64.41 C ATOM 910 OE1 GLN A 70 -44.870 -24.844 5.350 1.00 41.41 O ATOM 911 NE2 GLN A 70 -46.319 -26.025 6.595 1.00 23.05 N ATOM 0 H GLN A 70 -43.075 -22.915 8.612 1.00 53.43 H new ATOM 0 HA GLN A 70 -45.634 -23.037 7.578 1.00 42.25 H new ATOM 0 HB2 GLN A 70 -44.169 -24.699 9.653 1.00 14.24 H new ATOM 0 HB3 GLN A 70 -45.770 -25.131 9.085 1.00 14.24 H new ATOM 0 HG2 GLN A 70 -43.318 -24.809 7.320 1.00 61.22 H new ATOM 0 HG3 GLN A 70 -43.955 -26.337 7.893 1.00 61.22 H new ATOM 0 HE21 GLN A 70 -46.529 -26.453 7.497 1.00 23.05 H new ATOM 0 HE22 GLN A 70 -46.989 -26.094 5.829 1.00 23.05 H new ATOM 918 N GLY A 71 -47.328 -22.252 9.184 1.00 63.41 N ATOM 919 CA GLY A 71 -48.324 -21.745 10.109 1.00 25.53 C ATOM 920 C GLY A 71 -49.625 -21.385 9.420 1.00 62.13 C ATOM 921 O GLY A 71 -50.659 -22.001 9.674 1.00 53.31 O ATOM 0 H GLY A 71 -47.630 -22.293 8.210 1.00 63.41 H new ATOM 0 HA2 GLY A 71 -48.518 -22.495 10.876 1.00 25.53 H new ATOM 0 HA3 GLY A 71 -47.929 -20.865 10.616 1.00 25.53 H new ATOM 924 N GLU A 72 -49.573 -20.384 8.547 1.00 42.44 N ATOM 925 CA GLU A 72 -50.759 -19.942 7.822 1.00 41.32 C ATOM 926 C GLU A 72 -50.771 -20.504 6.404 1.00 23.12 C ATOM 927 O GLU A 72 -51.830 -20.798 5.849 1.00 12.01 O ATOM 928 CB GLU A 72 -50.817 -18.413 7.777 1.00 14.23 C ATOM 929 CG GLU A 72 -49.527 -17.769 7.297 1.00 41.03 C ATOM 930 CD GLU A 72 -48.818 -16.998 8.392 1.00 24.14 C ATOM 931 OE1 GLU A 72 -49.508 -16.319 9.182 1.00 24.53 O ATOM 932 OE2 GLU A 72 -47.572 -17.072 8.460 1.00 42.23 O ATOM 0 H GLU A 72 -48.724 -19.864 8.325 1.00 42.44 H new ATOM 0 HA GLU A 72 -51.636 -20.316 8.350 1.00 41.32 H new ATOM 0 HB2 GLU A 72 -51.632 -18.108 7.120 1.00 14.23 H new ATOM 0 HB3 GLU A 72 -51.052 -18.037 8.773 1.00 14.23 H new ATOM 0 HG2 GLU A 72 -48.861 -18.541 6.912 1.00 41.03 H new ATOM 0 HG3 GLU A 72 -49.748 -17.096 6.468 1.00 41.03 H new ATOM 937 N SER A 73 -49.585 -20.649 5.822 1.00 23.41 N ATOM 938 CA SER A 73 -49.457 -21.171 4.466 1.00 61.33 C ATOM 939 C SER A 73 -48.083 -20.847 3.886 1.00 73.20 C ATOM 940 O SER A 73 -47.558 -19.749 4.077 1.00 52.24 O ATOM 941 CB SER A 73 -50.551 -20.592 3.568 1.00 52.41 C ATOM 942 OG SER A 73 -50.112 -20.497 2.225 1.00 23.25 O ATOM 0 H SER A 73 -48.699 -20.412 6.268 1.00 23.41 H new ATOM 0 HA SER A 73 -49.568 -22.254 4.509 1.00 61.33 H new ATOM 0 HB2 SER A 73 -51.439 -21.222 3.620 1.00 52.41 H new ATOM 0 HB3 SER A 73 -50.839 -19.605 3.930 1.00 52.41 H new ATOM 0 HG SER A 73 -50.889 -20.438 1.630 1.00 23.25 H new ATOM 947 N LEU A 74 -47.506 -21.811 3.177 1.00 62.34 N ATOM 948 CA LEU A 74 -46.193 -21.630 2.567 1.00 0.45 C ATOM 949 C LEU A 74 -46.260 -20.637 1.412 1.00 4.45 C ATOM 950 O LEU A 74 -45.234 -20.233 0.866 1.00 61.23 O ATOM 951 CB LEU A 74 -45.650 -22.971 2.071 1.00 62.22 C ATOM 952 CG LEU A 74 -46.235 -23.486 0.756 1.00 63.44 C ATOM 953 CD1 LEU A 74 -47.754 -23.434 0.790 1.00 35.11 C ATOM 954 CD2 LEU A 74 -45.698 -22.679 -0.418 1.00 62.23 C ATOM 0 H LEU A 74 -47.926 -22.725 3.010 1.00 62.34 H new ATOM 0 HA LEU A 74 -45.520 -21.230 3.326 1.00 0.45 H new ATOM 0 HB2 LEU A 74 -44.570 -22.883 1.955 1.00 62.22 H new ATOM 0 HB3 LEU A 74 -45.827 -23.720 2.843 1.00 62.22 H new ATOM 0 HG LEU A 74 -45.931 -24.525 0.627 1.00 63.44 H new ATOM 0 HD11 LEU A 74 -48.152 -23.805 -0.155 1.00 35.11 H new ATOM 0 HD12 LEU A 74 -48.121 -24.055 1.607 1.00 35.11 H new ATOM 0 HD13 LEU A 74 -48.080 -22.405 0.942 1.00 35.11 H new ATOM 0 HD21 LEU A 74 -46.125 -23.059 -1.346 1.00 62.23 H new ATOM 0 HD22 LEU A 74 -45.972 -21.631 -0.295 1.00 62.23 H new ATOM 0 HD23 LEU A 74 -44.612 -22.768 -0.455 1.00 62.23 H new ATOM 965 N ALA A 75 -47.476 -20.244 1.046 1.00 74.02 N ATOM 966 CA ALA A 75 -47.678 -19.296 -0.042 1.00 3.13 C ATOM 967 C ALA A 75 -47.499 -17.860 0.442 1.00 53.10 C ATOM 968 O ALA A 75 -47.042 -16.995 -0.306 1.00 72.21 O ATOM 969 CB ALA A 75 -49.059 -19.480 -0.653 1.00 64.22 C ATOM 0 H ALA A 75 -48.336 -20.568 1.488 1.00 74.02 H new ATOM 0 HA ALA A 75 -46.926 -19.492 -0.806 1.00 3.13 H new ATOM 0 HB1 ALA A 75 -49.196 -18.765 -1.464 1.00 64.22 H new ATOM 0 HB2 ALA A 75 -49.152 -20.494 -1.043 1.00 64.22 H new ATOM 0 HB3 ALA A 75 -49.820 -19.313 0.110 1.00 64.22 H new ATOM 975 N ASP A 76 -47.862 -17.614 1.696 1.00 72.00 N ATOM 976 CA ASP A 76 -47.742 -16.283 2.280 1.00 61.11 C ATOM 977 C ASP A 76 -46.308 -15.772 2.173 1.00 13.44 C ATOM 978 O ASP A 76 -46.079 -14.600 1.872 1.00 53.10 O ATOM 979 CB ASP A 76 -48.181 -16.304 3.745 1.00 43.12 C ATOM 980 CG ASP A 76 -48.406 -14.911 4.300 1.00 53.24 C ATOM 981 OD1 ASP A 76 -47.578 -14.020 4.021 1.00 61.10 O ATOM 982 OD2 ASP A 76 -49.411 -14.713 5.017 1.00 63.34 O ATOM 0 H ASP A 76 -48.242 -18.319 2.328 1.00 72.00 H new ATOM 0 HA ASP A 76 -48.393 -15.608 1.724 1.00 61.11 H new ATOM 0 HB2 ASP A 76 -49.100 -16.882 3.838 1.00 43.12 H new ATOM 0 HB3 ASP A 76 -47.423 -16.812 4.341 1.00 43.12 H new ATOM 986 N GLN A 77 -45.349 -16.657 2.424 1.00 10.51 N ATOM 987 CA GLN A 77 -43.939 -16.293 2.358 1.00 65.43 C ATOM 988 C GLN A 77 -43.440 -16.306 0.917 1.00 3.23 C ATOM 989 O GLN A 77 -42.687 -15.425 0.502 1.00 11.13 O ATOM 990 CB GLN A 77 -43.103 -17.253 3.207 1.00 22.34 C ATOM 991 CG GLN A 77 -43.756 -17.622 4.529 1.00 12.42 C ATOM 992 CD GLN A 77 -43.951 -16.424 5.438 1.00 40.12 C ATOM 993 OE1 GLN A 77 -43.127 -16.154 6.312 1.00 5.35 O ATOM 994 NE2 GLN A 77 -45.045 -15.699 5.236 1.00 32.52 N ATOM 0 H GLN A 77 -45.523 -17.630 2.675 1.00 10.51 H new ATOM 0 HA GLN A 77 -43.832 -15.282 2.752 1.00 65.43 H new ATOM 0 HB2 GLN A 77 -42.918 -18.163 2.636 1.00 22.34 H new ATOM 0 HB3 GLN A 77 -42.132 -16.798 3.405 1.00 22.34 H new ATOM 0 HG2 GLN A 77 -44.722 -18.087 4.335 1.00 12.42 H new ATOM 0 HG3 GLN A 77 -43.141 -18.364 5.039 1.00 12.42 H new ATOM 0 HE21 GLN A 77 -45.701 -15.960 4.500 1.00 32.52 H new ATOM 0 HE22 GLN A 77 -45.229 -14.881 5.817 1.00 32.52 H new ATOM 1001 N ALA A 78 -43.865 -17.310 0.156 1.00 13.33 N ATOM 1002 CA ALA A 78 -43.464 -17.435 -1.238 1.00 75.32 C ATOM 1003 C ALA A 78 -43.477 -16.080 -1.938 1.00 74.14 C ATOM 1004 O ALA A 78 -42.661 -15.820 -2.821 1.00 25.44 O ATOM 1005 CB ALA A 78 -44.375 -18.416 -1.963 1.00 25.54 C ATOM 0 H ALA A 78 -44.488 -18.049 0.483 1.00 13.33 H new ATOM 0 HA ALA A 78 -42.443 -17.817 -1.264 1.00 75.32 H new ATOM 0 HB1 ALA A 78 -44.064 -18.500 -3.004 1.00 25.54 H new ATOM 0 HB2 ALA A 78 -44.311 -19.394 -1.485 1.00 25.54 H new ATOM 0 HB3 ALA A 78 -45.404 -18.058 -1.919 1.00 25.54 H new ATOM 1011 N ARG A 79 -44.411 -15.223 -1.538 1.00 62.22 N ATOM 1012 CA ARG A 79 -44.531 -13.896 -2.129 1.00 51.31 C ATOM 1013 C ARG A 79 -43.422 -12.976 -1.630 1.00 1.13 C ATOM 1014 O ARG A 79 -42.604 -12.492 -2.413 1.00 24.25 O ATOM 1015 CB ARG A 79 -45.897 -13.291 -1.799 1.00 4.04 C ATOM 1016 CG ARG A 79 -47.069 -14.146 -2.254 1.00 14.04 C ATOM 1017 CD ARG A 79 -48.397 -13.542 -1.827 1.00 40.45 C ATOM 1018 NE ARG A 79 -49.487 -13.932 -2.719 1.00 3.01 N ATOM 1019 CZ ARG A 79 -49.666 -13.414 -3.929 1.00 63.43 C ATOM 1020 NH1 ARG A 79 -48.832 -12.491 -4.389 1.00 64.04 N ATOM 1021 NH2 ARG A 79 -50.681 -13.819 -4.683 1.00 34.33 N ATOM 0 H ARG A 79 -45.095 -15.424 -0.808 1.00 62.22 H new ATOM 0 HA ARG A 79 -44.436 -13.997 -3.210 1.00 51.31 H new ATOM 0 HB2 ARG A 79 -45.966 -13.138 -0.722 1.00 4.04 H new ATOM 0 HB3 ARG A 79 -45.972 -12.309 -2.266 1.00 4.04 H new ATOM 0 HG2 ARG A 79 -47.047 -14.248 -3.339 1.00 14.04 H new ATOM 0 HG3 ARG A 79 -46.973 -15.149 -1.837 1.00 14.04 H new ATOM 0 HD2 ARG A 79 -48.629 -13.859 -0.810 1.00 40.45 H new ATOM 0 HD3 ARG A 79 -48.313 -12.455 -1.811 1.00 40.45 H new ATOM 0 HE ARG A 79 -50.146 -14.640 -2.395 1.00 3.01 H new ATOM 0 HH11 ARG A 79 -48.051 -12.177 -3.813 1.00 64.04 H new ATOM 0 HH12 ARG A 79 -48.972 -12.095 -5.319 1.00 64.04 H new ATOM 0 HH21 ARG A 79 -51.325 -14.529 -4.333 1.00 34.33 H new ATOM 0 HH22 ARG A 79 -50.817 -13.420 -5.612 1.00 34.33 H new ATOM 1032 N ASP A 80 -43.399 -12.738 -0.323 1.00 53.53 N ATOM 1033 CA ASP A 80 -42.389 -11.877 0.281 1.00 44.41 C ATOM 1034 C ASP A 80 -41.040 -12.584 0.346 1.00 15.13 C ATOM 1035 O ASP A 80 -40.029 -12.058 -0.117 1.00 20.22 O ATOM 1036 CB ASP A 80 -42.825 -11.452 1.684 1.00 11.11 C ATOM 1037 CG ASP A 80 -42.304 -10.079 2.061 1.00 30.42 C ATOM 1038 OD1 ASP A 80 -41.076 -9.941 2.244 1.00 53.11 O ATOM 1039 OD2 ASP A 80 -43.123 -9.143 2.174 1.00 31.34 O ATOM 0 H ASP A 80 -44.069 -13.130 0.339 1.00 53.53 H new ATOM 0 HA ASP A 80 -42.283 -10.990 -0.343 1.00 44.41 H new ATOM 0 HB2 ASP A 80 -43.914 -11.452 1.739 1.00 11.11 H new ATOM 0 HB3 ASP A 80 -42.470 -12.184 2.409 1.00 11.11 H new ATOM 1043 N TYR A 81 -41.032 -13.780 0.925 1.00 44.31 N ATOM 1044 CA TYR A 81 -39.806 -14.558 1.054 1.00 53.13 C ATOM 1045 C TYR A 81 -38.984 -14.496 -0.230 1.00 33.10 C ATOM 1046 O TYR A 81 -37.881 -13.950 -0.248 1.00 13.43 O ATOM 1047 CB TYR A 81 -40.134 -16.014 1.392 1.00 4.53 C ATOM 1048 CG TYR A 81 -39.022 -16.731 2.122 1.00 72.11 C ATOM 1049 CD1 TYR A 81 -38.373 -16.137 3.197 1.00 11.25 C ATOM 1050 CD2 TYR A 81 -38.619 -18.005 1.737 1.00 40.52 C ATOM 1051 CE1 TYR A 81 -37.355 -16.789 3.866 1.00 11.54 C ATOM 1052 CE2 TYR A 81 -37.604 -18.665 2.402 1.00 4.21 C ATOM 1053 CZ TYR A 81 -36.974 -18.053 3.465 1.00 12.11 C ATOM 1054 OH TYR A 81 -35.962 -18.706 4.130 1.00 52.54 O ATOM 0 H TYR A 81 -41.861 -14.231 1.312 1.00 44.31 H new ATOM 0 HA TYR A 81 -39.216 -14.128 1.863 1.00 53.13 H new ATOM 0 HB2 TYR A 81 -41.036 -16.042 2.004 1.00 4.53 H new ATOM 0 HB3 TYR A 81 -40.357 -16.551 0.470 1.00 4.53 H new ATOM 0 HD1 TYR A 81 -38.669 -15.148 3.515 1.00 11.25 H new ATOM 0 HD2 TYR A 81 -39.108 -18.487 0.903 1.00 40.52 H new ATOM 0 HE1 TYR A 81 -36.860 -16.312 4.699 1.00 11.54 H new ATOM 0 HE2 TYR A 81 -37.305 -19.655 2.091 1.00 4.21 H new ATOM 0 HH TYR A 81 -35.818 -19.586 3.723 1.00 52.54 H new ATOM 1063 N MET A 82 -39.530 -15.060 -1.302 1.00 22.24 N ATOM 1064 CA MET A 82 -38.848 -15.068 -2.591 1.00 44.41 C ATOM 1065 C MET A 82 -38.277 -13.690 -2.913 1.00 33.35 C ATOM 1066 O MET A 82 -37.200 -13.575 -3.497 1.00 14.25 O ATOM 1067 CB MET A 82 -39.810 -15.504 -3.698 1.00 73.32 C ATOM 1068 CG MET A 82 -40.656 -14.369 -4.250 1.00 43.53 C ATOM 1069 SD MET A 82 -41.726 -14.895 -5.603 1.00 4.22 S ATOM 1070 CE MET A 82 -40.849 -14.215 -7.010 1.00 1.43 C ATOM 0 H MET A 82 -40.442 -15.517 -1.304 1.00 22.24 H new ATOM 0 HA MET A 82 -38.024 -15.779 -2.533 1.00 44.41 H new ATOM 0 HB2 MET A 82 -39.237 -15.948 -4.512 1.00 73.32 H new ATOM 0 HB3 MET A 82 -40.468 -16.282 -3.310 1.00 73.32 H new ATOM 0 HG2 MET A 82 -41.267 -13.954 -3.449 1.00 43.53 H new ATOM 0 HG3 MET A 82 -40.002 -13.570 -4.599 1.00 43.53 H new ATOM 0 HE1 MET A 82 -41.388 -14.457 -7.926 1.00 1.43 H new ATOM 0 HE2 MET A 82 -40.778 -13.132 -6.906 1.00 1.43 H new ATOM 0 HE3 MET A 82 -39.847 -14.642 -7.055 1.00 1.43 H new ATOM 1078 N GLY A 83 -39.005 -12.647 -2.527 1.00 14.41 N ATOM 1079 CA GLY A 83 -38.555 -11.292 -2.783 1.00 1.03 C ATOM 1080 C GLY A 83 -37.384 -10.895 -1.905 1.00 13.34 C ATOM 1081 O GLY A 83 -36.316 -10.545 -2.405 1.00 25.13 O ATOM 0 H GLY A 83 -39.899 -12.717 -2.041 1.00 14.41 H new ATOM 0 HA2 GLY A 83 -38.268 -11.199 -3.830 1.00 1.03 H new ATOM 0 HA3 GLY A 83 -39.381 -10.600 -2.617 1.00 1.03 H new ATOM 1084 N ALA A 84 -37.586 -10.948 -0.593 1.00 1.44 N ATOM 1085 CA ALA A 84 -36.539 -10.591 0.357 1.00 61.11 C ATOM 1086 C ALA A 84 -35.275 -11.409 0.113 1.00 11.20 C ATOM 1087 O ALA A 84 -34.188 -11.035 0.552 1.00 63.32 O ATOM 1088 CB ALA A 84 -37.030 -10.787 1.783 1.00 44.11 C ATOM 0 H ALA A 84 -38.465 -11.235 -0.163 1.00 1.44 H new ATOM 0 HA ALA A 84 -36.294 -9.539 0.211 1.00 61.11 H new ATOM 0 HB1 ALA A 84 -36.238 -10.517 2.481 1.00 44.11 H new ATOM 0 HB2 ALA A 84 -37.900 -10.154 1.959 1.00 44.11 H new ATOM 0 HB3 ALA A 84 -37.305 -11.831 1.933 1.00 44.11 H new ATOM 1094 N ALA A 85 -35.426 -12.528 -0.588 1.00 43.12 N ATOM 1095 CA ALA A 85 -34.297 -13.398 -0.891 1.00 53.23 C ATOM 1096 C ALA A 85 -33.657 -13.024 -2.223 1.00 45.10 C ATOM 1097 O ALA A 85 -32.580 -12.428 -2.261 1.00 61.22 O ATOM 1098 CB ALA A 85 -34.742 -14.853 -0.907 1.00 31.20 C ATOM 0 H ALA A 85 -36.320 -12.853 -0.957 1.00 43.12 H new ATOM 0 HA ALA A 85 -33.549 -13.266 -0.109 1.00 53.23 H new ATOM 0 HB1 ALA A 85 -33.889 -15.492 -1.135 1.00 31.20 H new ATOM 0 HB2 ALA A 85 -35.146 -15.121 0.069 1.00 31.20 H new ATOM 0 HB3 ALA A 85 -35.511 -14.990 -1.667 1.00 31.20 H new ATOM 1104 N LYS A 86 -34.326 -13.378 -3.316 1.00 11.14 N ATOM 1105 CA LYS A 86 -33.824 -13.078 -4.652 1.00 30.20 C ATOM 1106 C LYS A 86 -33.328 -11.638 -4.737 1.00 70.21 C ATOM 1107 O LYS A 86 -32.360 -11.346 -5.439 1.00 5.40 O ATOM 1108 CB LYS A 86 -34.918 -13.315 -5.695 1.00 65.23 C ATOM 1109 CG LYS A 86 -35.971 -12.220 -5.731 1.00 34.42 C ATOM 1110 CD LYS A 86 -35.612 -11.135 -6.732 1.00 1.40 C ATOM 1111 CE LYS A 86 -36.078 -9.766 -6.260 1.00 43.12 C ATOM 1112 NZ LYS A 86 -36.990 -9.120 -7.245 1.00 21.42 N ATOM 0 H LYS A 86 -35.218 -13.873 -3.302 1.00 11.14 H new ATOM 0 HA LYS A 86 -32.986 -13.744 -4.856 1.00 30.20 H new ATOM 0 HB2 LYS A 86 -34.458 -13.398 -6.680 1.00 65.23 H new ATOM 0 HB3 LYS A 86 -35.404 -14.269 -5.489 1.00 65.23 H new ATOM 0 HG2 LYS A 86 -36.937 -12.652 -5.992 1.00 34.42 H new ATOM 0 HG3 LYS A 86 -36.075 -11.781 -4.739 1.00 34.42 H new ATOM 0 HD2 LYS A 86 -34.533 -11.121 -6.884 1.00 1.40 H new ATOM 0 HD3 LYS A 86 -36.066 -11.363 -7.696 1.00 1.40 H new ATOM 0 HE2 LYS A 86 -36.590 -9.867 -5.303 1.00 43.12 H new ATOM 0 HE3 LYS A 86 -35.212 -9.126 -6.092 1.00 43.12 H new ATOM 0 HZ1 LYS A 86 -37.285 -8.189 -6.886 1.00 21.42 H new ATOM 0 HZ2 LYS A 86 -36.494 -9.000 -8.151 1.00 21.42 H new ATOM 0 HZ3 LYS A 86 -37.829 -9.719 -7.386 1.00 21.42 H new ATOM 1122 N SER A 87 -33.996 -10.744 -4.016 1.00 41.21 N ATOM 1123 CA SER A 87 -33.624 -9.334 -4.012 1.00 61.21 C ATOM 1124 C SER A 87 -32.412 -9.094 -3.118 1.00 33.20 C ATOM 1125 O SER A 87 -31.330 -8.749 -3.596 1.00 41.34 O ATOM 1126 CB SER A 87 -34.799 -8.476 -3.538 1.00 61.43 C ATOM 1127 OG SER A 87 -34.814 -7.222 -4.199 1.00 52.52 O ATOM 0 H SER A 87 -34.797 -10.971 -3.427 1.00 41.21 H new ATOM 0 HA SER A 87 -33.363 -9.050 -5.032 1.00 61.21 H new ATOM 0 HB2 SER A 87 -35.736 -9.001 -3.726 1.00 61.43 H new ATOM 0 HB3 SER A 87 -34.730 -8.322 -2.461 1.00 61.43 H new ATOM 0 HG SER A 87 -35.575 -6.693 -3.880 1.00 52.52 H new ATOM 1132 N LYS A 88 -32.599 -9.279 -1.816 1.00 74.31 N ATOM 1133 CA LYS A 88 -31.522 -9.085 -0.852 1.00 24.41 C ATOM 1134 C LYS A 88 -30.385 -10.072 -1.100 1.00 42.33 C ATOM 1135 O LYS A 88 -29.250 -9.674 -1.363 1.00 71.40 O ATOM 1136 CB LYS A 88 -32.051 -9.248 0.574 1.00 13.44 C ATOM 1137 CG LYS A 88 -31.382 -8.328 1.581 1.00 22.02 C ATOM 1138 CD LYS A 88 -30.218 -9.014 2.276 1.00 60.24 C ATOM 1139 CE LYS A 88 -30.573 -9.406 3.702 1.00 41.25 C ATOM 1140 NZ LYS A 88 -30.936 -8.222 4.529 1.00 4.31 N ATOM 0 H LYS A 88 -33.487 -9.563 -1.403 1.00 74.31 H new ATOM 0 HA LYS A 88 -31.135 -8.074 -0.976 1.00 24.41 H new ATOM 0 HB2 LYS A 88 -33.124 -9.058 0.578 1.00 13.44 H new ATOM 0 HB3 LYS A 88 -31.909 -10.282 0.889 1.00 13.44 H new ATOM 0 HG2 LYS A 88 -31.027 -7.430 1.075 1.00 22.02 H new ATOM 0 HG3 LYS A 88 -32.113 -8.007 2.324 1.00 22.02 H new ATOM 0 HD2 LYS A 88 -29.930 -9.903 1.714 1.00 60.24 H new ATOM 0 HD3 LYS A 88 -29.355 -8.349 2.285 1.00 60.24 H new ATOM 0 HE2 LYS A 88 -31.406 -10.109 3.689 1.00 41.25 H new ATOM 0 HE3 LYS A 88 -29.728 -9.922 4.158 1.00 41.25 H new ATOM 0 HZ1 LYS A 88 -30.682 -8.401 5.521 1.00 4.31 H new ATOM 0 HZ2 LYS A 88 -30.421 -7.387 4.184 1.00 4.31 H new ATOM 0 HZ3 LYS A 88 -31.959 -8.051 4.459 1.00 4.31 H new ATOM 1150 N LEU A 89 -30.698 -11.361 -1.015 1.00 45.15 N ATOM 1151 CA LEU A 89 -29.703 -12.405 -1.232 1.00 42.14 C ATOM 1152 C LEU A 89 -28.844 -12.094 -2.454 1.00 42.11 C ATOM 1153 O LEU A 89 -27.618 -12.050 -2.368 1.00 4.44 O ATOM 1154 CB LEU A 89 -30.389 -13.761 -1.410 1.00 70.01 C ATOM 1155 CG LEU A 89 -29.479 -14.987 -1.339 1.00 70.32 C ATOM 1156 CD1 LEU A 89 -30.185 -16.136 -0.634 1.00 65.40 C ATOM 1157 CD2 LEU A 89 -29.037 -15.406 -2.734 1.00 42.30 C ATOM 0 H LEU A 89 -31.632 -11.707 -0.797 1.00 45.15 H new ATOM 0 HA LEU A 89 -29.056 -12.443 -0.356 1.00 42.14 H new ATOM 0 HB2 LEU A 89 -31.159 -13.860 -0.645 1.00 70.01 H new ATOM 0 HB3 LEU A 89 -30.896 -13.765 -2.375 1.00 70.01 H new ATOM 0 HG LEU A 89 -28.592 -14.724 -0.763 1.00 70.32 H new ATOM 0 HD11 LEU A 89 -29.522 -17.000 -0.593 1.00 65.40 H new ATOM 0 HD12 LEU A 89 -30.450 -15.833 0.379 1.00 65.40 H new ATOM 0 HD13 LEU A 89 -31.090 -16.399 -1.183 1.00 65.40 H new ATOM 0 HD21 LEU A 89 -28.390 -16.280 -2.663 1.00 42.30 H new ATOM 0 HD22 LEU A 89 -29.913 -15.650 -3.335 1.00 42.30 H new ATOM 0 HD23 LEU A 89 -28.491 -14.588 -3.204 1.00 42.30 H new ATOM 1168 N ASN A 90 -29.498 -11.876 -3.591 1.00 33.11 N ATOM 1169 CA ASN A 90 -28.794 -11.566 -4.830 1.00 32.41 C ATOM 1170 C ASN A 90 -28.152 -10.184 -4.761 1.00 4.41 C ATOM 1171 O ASN A 90 -26.946 -10.037 -4.955 1.00 43.31 O ATOM 1172 CB ASN A 90 -29.754 -11.636 -6.018 1.00 53.45 C ATOM 1173 CG ASN A 90 -29.054 -12.027 -7.306 1.00 50.23 C ATOM 1174 OD1 ASN A 90 -28.837 -13.209 -7.573 1.00 51.33 O ATOM 1175 ND2 ASN A 90 -28.698 -11.033 -8.110 1.00 75.40 N ATOM 0 H ASN A 90 -30.514 -11.908 -3.680 1.00 33.11 H new ATOM 0 HA ASN A 90 -28.005 -12.306 -4.965 1.00 32.41 H new ATOM 0 HB2 ASN A 90 -30.542 -12.358 -5.803 1.00 53.45 H new ATOM 0 HB3 ASN A 90 -30.236 -10.667 -6.149 1.00 53.45 H new ATOM 0 HD21 ASN A 90 -28.224 -11.234 -8.990 1.00 75.40 H new ATOM 0 HD22 ASN A 90 -28.899 -10.068 -7.847 1.00 75.40 H new ATOM 1181 N ASP A 91 -28.969 -9.173 -4.483 1.00 11.13 N ATOM 1182 CA ASP A 91 -28.482 -7.802 -4.385 1.00 65.22 C ATOM 1183 C ASP A 91 -27.469 -7.663 -3.253 1.00 14.40 C ATOM 1184 O ASP A 91 -26.762 -6.660 -3.158 1.00 72.13 O ATOM 1185 CB ASP A 91 -29.649 -6.838 -4.164 1.00 11.22 C ATOM 1186 CG ASP A 91 -29.260 -5.393 -4.406 1.00 40.03 C ATOM 1187 OD1 ASP A 91 -28.758 -5.090 -5.508 1.00 61.13 O ATOM 1188 OD2 ASP A 91 -29.460 -4.565 -3.493 1.00 45.10 O ATOM 0 H ASP A 91 -29.971 -9.277 -4.322 1.00 11.13 H new ATOM 0 HA ASP A 91 -27.987 -7.551 -5.323 1.00 65.22 H new ATOM 0 HB2 ASP A 91 -30.469 -7.107 -4.829 1.00 11.22 H new ATOM 0 HB3 ASP A 91 -30.018 -6.946 -3.144 1.00 11.22 H new ATOM 1192 N ALA A 92 -27.406 -8.676 -2.395 1.00 71.25 N ATOM 1193 CA ALA A 92 -26.479 -8.668 -1.270 1.00 60.22 C ATOM 1194 C ALA A 92 -25.313 -9.620 -1.512 1.00 61.24 C ATOM 1195 O ALA A 92 -24.227 -9.439 -0.963 1.00 32.40 O ATOM 1196 CB ALA A 92 -27.206 -9.037 0.015 1.00 3.33 C ATOM 0 H ALA A 92 -27.986 -9.513 -2.458 1.00 71.25 H new ATOM 0 HA ALA A 92 -26.076 -7.660 -1.171 1.00 60.22 H new ATOM 0 HB1 ALA A 92 -26.502 -9.027 0.847 1.00 3.33 H new ATOM 0 HB2 ALA A 92 -28.001 -8.315 0.204 1.00 3.33 H new ATOM 0 HB3 ALA A 92 -27.637 -10.033 -0.084 1.00 3.33 H new ATOM 1202 N VAL A 93 -25.547 -10.637 -2.337 1.00 10.14 N ATOM 1203 CA VAL A 93 -24.515 -11.618 -2.651 1.00 51.33 C ATOM 1204 C VAL A 93 -23.986 -11.425 -4.067 1.00 62.35 C ATOM 1205 O VAL A 93 -22.789 -11.557 -4.317 1.00 21.10 O ATOM 1206 CB VAL A 93 -25.045 -13.057 -2.505 1.00 51.43 C ATOM 1207 CG1 VAL A 93 -25.689 -13.523 -3.802 1.00 60.03 C ATOM 1208 CG2 VAL A 93 -23.926 -13.998 -2.088 1.00 11.10 C ATOM 0 H VAL A 93 -26.441 -10.802 -2.799 1.00 10.14 H new ATOM 0 HA VAL A 93 -23.704 -11.463 -1.939 1.00 51.33 H new ATOM 0 HB VAL A 93 -25.806 -13.067 -1.725 1.00 51.43 H new ATOM 0 HG11 VAL A 93 -26.057 -14.542 -3.680 1.00 60.03 H new ATOM 0 HG12 VAL A 93 -26.520 -12.864 -4.053 1.00 60.03 H new ATOM 0 HG13 VAL A 93 -24.951 -13.498 -4.604 1.00 60.03 H new ATOM 0 HG21 VAL A 93 -24.319 -15.010 -1.990 1.00 11.10 H new ATOM 0 HG22 VAL A 93 -23.140 -13.986 -2.843 1.00 11.10 H new ATOM 0 HG23 VAL A 93 -23.515 -13.674 -1.132 1.00 11.10 H new ATOM 1218 N GLU A 94 -24.889 -11.111 -4.993 1.00 32.23 N ATOM 1219 CA GLU A 94 -24.512 -10.900 -6.386 1.00 11.04 C ATOM 1220 C GLU A 94 -24.125 -9.444 -6.630 1.00 14.45 C ATOM 1221 O GLU A 94 -23.249 -9.151 -7.444 1.00 10.12 O ATOM 1222 CB GLU A 94 -25.662 -11.296 -7.313 1.00 64.11 C ATOM 1223 CG GLU A 94 -25.734 -12.787 -7.591 1.00 13.21 C ATOM 1224 CD GLU A 94 -25.851 -13.101 -9.070 1.00 4.14 C ATOM 1225 OE1 GLU A 94 -26.457 -12.290 -9.802 1.00 20.12 O ATOM 1226 OE2 GLU A 94 -25.338 -14.156 -9.496 1.00 53.23 O ATOM 0 H GLU A 94 -25.885 -10.998 -4.803 1.00 32.23 H new ATOM 0 HA GLU A 94 -23.648 -11.528 -6.602 1.00 11.04 H new ATOM 0 HB2 GLU A 94 -26.603 -10.972 -6.869 1.00 64.11 H new ATOM 0 HB3 GLU A 94 -25.555 -10.764 -8.258 1.00 64.11 H new ATOM 0 HG2 GLU A 94 -24.843 -13.271 -7.190 1.00 13.21 H new ATOM 0 HG3 GLU A 94 -26.590 -13.210 -7.065 1.00 13.21 H new ATOM 1231 N TYR A 95 -24.784 -8.536 -5.919 1.00 11.13 N ATOM 1232 CA TYR A 95 -24.513 -7.110 -6.059 1.00 24.41 C ATOM 1233 C TYR A 95 -23.453 -6.656 -5.059 1.00 61.42 C ATOM 1234 O TYR A 95 -22.572 -5.861 -5.388 1.00 3.51 O ATOM 1235 CB TYR A 95 -25.796 -6.302 -5.860 1.00 73.32 C ATOM 1236 CG TYR A 95 -25.558 -4.819 -5.687 1.00 51.13 C ATOM 1237 CD1 TYR A 95 -25.329 -4.274 -4.431 1.00 15.03 C ATOM 1238 CD2 TYR A 95 -25.561 -3.964 -6.782 1.00 2.02 C ATOM 1239 CE1 TYR A 95 -25.111 -2.919 -4.268 1.00 52.34 C ATOM 1240 CE2 TYR A 95 -25.343 -2.608 -6.629 1.00 52.21 C ATOM 1241 CZ TYR A 95 -25.120 -2.091 -5.371 1.00 32.44 C ATOM 1242 OH TYR A 95 -24.902 -0.741 -5.213 1.00 31.22 O ATOM 0 H TYR A 95 -25.510 -8.762 -5.239 1.00 11.13 H new ATOM 0 HA TYR A 95 -24.135 -6.936 -7.067 1.00 24.41 H new ATOM 0 HB2 TYR A 95 -26.450 -6.459 -6.717 1.00 73.32 H new ATOM 0 HB3 TYR A 95 -26.322 -6.681 -4.984 1.00 73.32 H new ATOM 0 HD1 TYR A 95 -25.321 -4.920 -3.566 1.00 15.03 H new ATOM 0 HD2 TYR A 95 -25.737 -4.366 -7.769 1.00 2.02 H new ATOM 0 HE1 TYR A 95 -24.935 -2.511 -3.284 1.00 52.34 H new ATOM 0 HE2 TYR A 95 -25.347 -1.957 -7.491 1.00 52.21 H new ATOM 0 HH TYR A 95 -24.940 -0.299 -6.087 1.00 31.22 H new ATOM 1251 N VAL A 96 -23.545 -7.169 -3.837 1.00 72.22 N ATOM 1252 CA VAL A 96 -22.594 -6.818 -2.788 1.00 75.31 C ATOM 1253 C VAL A 96 -21.397 -7.763 -2.793 1.00 64.31 C ATOM 1254 O VAL A 96 -20.256 -7.334 -2.963 1.00 11.13 O ATOM 1255 CB VAL A 96 -23.255 -6.854 -1.397 1.00 62.42 C ATOM 1256 CG1 VAL A 96 -22.279 -7.383 -0.356 1.00 51.35 C ATOM 1257 CG2 VAL A 96 -23.760 -5.472 -1.013 1.00 3.13 C ATOM 0 H VAL A 96 -24.268 -7.829 -3.548 1.00 72.22 H new ATOM 0 HA VAL A 96 -22.254 -5.803 -2.995 1.00 75.31 H new ATOM 0 HB VAL A 96 -24.109 -7.530 -1.436 1.00 62.42 H new ATOM 0 HG11 VAL A 96 -22.763 -7.401 0.620 1.00 51.35 H new ATOM 0 HG12 VAL A 96 -21.970 -8.393 -0.627 1.00 51.35 H new ATOM 0 HG13 VAL A 96 -21.404 -6.734 -0.315 1.00 51.35 H new ATOM 0 HG21 VAL A 96 -24.224 -5.515 -0.028 1.00 3.13 H new ATOM 0 HG22 VAL A 96 -22.924 -4.773 -0.990 1.00 3.13 H new ATOM 0 HG23 VAL A 96 -24.494 -5.136 -1.746 1.00 3.13 H new ATOM 1267 N SER A 97 -21.666 -9.052 -2.609 1.00 21.25 N ATOM 1268 CA SER A 97 -20.610 -10.058 -2.590 1.00 13.13 C ATOM 1269 C SER A 97 -20.086 -10.322 -3.998 1.00 13.10 C ATOM 1270 O SER A 97 -19.011 -10.893 -4.174 1.00 63.01 O ATOM 1271 CB SER A 97 -21.128 -11.359 -1.973 1.00 2.34 C ATOM 1272 OG SER A 97 -20.128 -11.984 -1.187 1.00 21.54 O ATOM 0 H SER A 97 -22.606 -9.424 -2.471 1.00 21.25 H new ATOM 0 HA SER A 97 -19.789 -9.677 -1.982 1.00 13.13 H new ATOM 0 HB2 SER A 97 -22.002 -11.150 -1.356 1.00 2.34 H new ATOM 0 HB3 SER A 97 -21.450 -12.037 -2.763 1.00 2.34 H new ATOM 0 HG SER A 97 -20.484 -12.812 -0.803 1.00 21.54 H new ATOM 1277 N GLY A 98 -20.855 -9.903 -4.997 1.00 41.50 N ATOM 1278 CA GLY A 98 -20.453 -10.103 -6.377 1.00 3.23 C ATOM 1279 C GLY A 98 -19.631 -8.949 -6.915 1.00 2.15 C ATOM 1280 O GLY A 98 -18.916 -9.095 -7.906 1.00 72.02 O ATOM 0 H GLY A 98 -21.750 -9.428 -4.876 1.00 41.50 H new ATOM 0 HA2 GLY A 98 -19.875 -11.024 -6.454 1.00 3.23 H new ATOM 0 HA3 GLY A 98 -21.341 -10.232 -6.996 1.00 3.23 H new ATOM 1283 N ARG A 99 -19.733 -7.796 -6.261 1.00 2.42 N ATOM 1284 CA ARG A 99 -18.994 -6.611 -6.681 1.00 53.51 C ATOM 1285 C ARG A 99 -17.596 -6.597 -6.071 1.00 34.40 C ATOM 1286 O ARG A 99 -16.597 -6.505 -6.784 1.00 21.53 O ATOM 1287 CB ARG A 99 -19.751 -5.343 -6.278 1.00 31.21 C ATOM 1288 CG ARG A 99 -20.705 -4.838 -7.348 1.00 14.24 C ATOM 1289 CD ARG A 99 -20.062 -3.756 -8.201 1.00 22.22 C ATOM 1290 NE ARG A 99 -19.635 -2.609 -7.403 1.00 55.23 N ATOM 1291 CZ ARG A 99 -18.840 -1.649 -7.862 1.00 73.43 C ATOM 1292 NH1 ARG A 99 -18.388 -1.698 -9.107 1.00 64.52 N ATOM 1293 NH2 ARG A 99 -18.496 -0.639 -7.075 1.00 20.24 N ATOM 0 H ARG A 99 -20.320 -7.657 -5.438 1.00 2.42 H new ATOM 0 HA ARG A 99 -18.897 -6.639 -7.766 1.00 53.51 H new ATOM 0 HB2 ARG A 99 -20.313 -5.540 -5.365 1.00 31.21 H new ATOM 0 HB3 ARG A 99 -19.031 -4.558 -6.045 1.00 31.21 H new ATOM 0 HG2 ARG A 99 -21.014 -5.668 -7.983 1.00 14.24 H new ATOM 0 HG3 ARG A 99 -21.606 -4.445 -6.877 1.00 14.24 H new ATOM 0 HD2 ARG A 99 -19.202 -4.172 -8.726 1.00 22.22 H new ATOM 0 HD3 ARG A 99 -20.770 -3.425 -8.961 1.00 22.22 H new ATOM 0 HE ARG A 99 -19.966 -2.542 -6.440 1.00 55.23 H new ATOM 0 HH11 ARG A 99 -18.651 -2.474 -9.715 1.00 64.52 H new ATOM 0 HH12 ARG A 99 -17.778 -0.960 -9.457 1.00 64.52 H new ATOM 0 HH21 ARG A 99 -18.842 -0.599 -6.116 1.00 20.24 H new ATOM 0 HH22 ARG A 99 -17.885 0.098 -7.428 1.00 20.24 H new ATOM 1304 N VAL A 100 -17.533 -6.689 -4.746 1.00 73.24 N ATOM 1305 CA VAL A 100 -16.257 -6.688 -4.039 1.00 41.51 C ATOM 1306 C VAL A 100 -15.389 -7.864 -4.471 1.00 63.11 C ATOM 1307 O VAL A 100 -14.165 -7.829 -4.337 1.00 25.15 O ATOM 1308 CB VAL A 100 -16.461 -6.747 -2.514 1.00 70.21 C ATOM 1309 CG1 VAL A 100 -15.127 -6.624 -1.792 1.00 63.21 C ATOM 1310 CG2 VAL A 100 -17.423 -5.660 -2.062 1.00 4.34 C ATOM 0 H VAL A 100 -18.350 -6.765 -4.141 1.00 73.24 H new ATOM 0 HA VAL A 100 -15.754 -5.756 -4.295 1.00 41.51 H new ATOM 0 HB VAL A 100 -16.897 -7.713 -2.261 1.00 70.21 H new ATOM 0 HG11 VAL A 100 -15.291 -6.668 -0.715 1.00 63.21 H new ATOM 0 HG12 VAL A 100 -14.473 -7.443 -2.093 1.00 63.21 H new ATOM 0 HG13 VAL A 100 -14.660 -5.673 -2.050 1.00 63.21 H new ATOM 0 HG21 VAL A 100 -17.555 -5.717 -0.982 1.00 4.34 H new ATOM 0 HG22 VAL A 100 -17.019 -4.683 -2.327 1.00 4.34 H new ATOM 0 HG23 VAL A 100 -18.386 -5.799 -2.553 1.00 4.34 H new ATOM 1320 N HIS A 101 -16.030 -8.906 -4.992 1.00 63.40 N ATOM 1321 CA HIS A 101 -15.315 -10.094 -5.446 1.00 31.53 C ATOM 1322 C HIS A 101 -14.189 -9.718 -6.404 1.00 1.13 C ATOM 1323 O HIS A 101 -13.136 -10.354 -6.421 1.00 13.30 O ATOM 1324 CB HIS A 101 -16.278 -11.065 -6.130 1.00 10.45 C ATOM 1325 CG HIS A 101 -15.803 -12.484 -6.122 1.00 53.13 C ATOM 1326 ND1 HIS A 101 -16.165 -13.394 -5.151 1.00 51.01 N ATOM 1327 CD2 HIS A 101 -14.991 -13.151 -6.975 1.00 62.41 C ATOM 1328 CE1 HIS A 101 -15.594 -14.558 -5.407 1.00 54.42 C ATOM 1329 NE2 HIS A 101 -14.877 -14.437 -6.510 1.00 15.40 N ATOM 0 H HIS A 101 -17.042 -8.952 -5.110 1.00 63.40 H new ATOM 0 HA HIS A 101 -14.879 -10.580 -4.573 1.00 31.53 H new ATOM 0 HB2 HIS A 101 -17.247 -11.012 -5.634 1.00 10.45 H new ATOM 0 HB3 HIS A 101 -16.430 -10.747 -7.162 1.00 10.45 H new ATOM 0 HD2 HIS A 101 -14.520 -12.746 -7.858 1.00 62.41 H new ATOM 0 HE1 HIS A 101 -15.696 -15.456 -4.815 1.00 54.42 H new ATOM 0 HE2 HIS A 101 -14.328 -15.179 -6.945 1.00 15.40 H new ATOM 1336 N GLY A 102 -14.418 -8.678 -7.201 1.00 72.24 N ATOM 1337 CA GLY A 102 -13.414 -8.236 -8.151 1.00 43.14 C ATOM 1338 C GLY A 102 -12.722 -6.962 -7.712 1.00 24.15 C ATOM 1339 O GLY A 102 -13.339 -5.899 -7.662 1.00 22.01 O ATOM 0 H GLY A 102 -15.281 -8.134 -7.205 1.00 72.24 H new ATOM 0 HA2 GLY A 102 -12.671 -9.023 -8.282 1.00 43.14 H new ATOM 0 HA3 GLY A 102 -13.883 -8.075 -9.122 1.00 43.14 H new ATOM 1342 N GLU A 103 -11.436 -7.069 -7.392 1.00 2.34 N ATOM 1343 CA GLU A 103 -10.661 -5.915 -6.952 1.00 60.40 C ATOM 1344 C GLU A 103 -9.880 -5.309 -8.115 1.00 23.11 C ATOM 1345 O GLU A 103 -9.644 -5.967 -9.128 1.00 75.03 O ATOM 1346 CB GLU A 103 -9.698 -6.316 -5.832 1.00 74.03 C ATOM 1347 CG GLU A 103 -10.398 -6.732 -4.549 1.00 35.21 C ATOM 1348 CD GLU A 103 -11.104 -5.576 -3.868 1.00 14.03 C ATOM 1349 OE1 GLU A 103 -10.931 -4.426 -4.322 1.00 61.20 O ATOM 1350 OE2 GLU A 103 -11.827 -5.821 -2.880 1.00 3.01 O ATOM 0 H GLU A 103 -10.910 -7.942 -7.429 1.00 2.34 H new ATOM 0 HA GLU A 103 -11.356 -5.166 -6.573 1.00 60.40 H new ATOM 0 HB2 GLU A 103 -9.073 -7.139 -6.179 1.00 74.03 H new ATOM 0 HB3 GLU A 103 -9.033 -5.479 -5.619 1.00 74.03 H new ATOM 0 HG2 GLU A 103 -11.123 -7.515 -4.773 1.00 35.21 H new ATOM 0 HG3 GLU A 103 -9.667 -7.161 -3.864 1.00 35.21 H new ATOM 1355 N GLU A 104 -9.483 -4.050 -7.961 1.00 32.23 N ATOM 1356 CA GLU A 104 -8.730 -3.354 -8.998 1.00 73.41 C ATOM 1357 C GLU A 104 -7.232 -3.601 -8.842 1.00 73.13 C ATOM 1358 O GLU A 104 -6.467 -3.465 -9.796 1.00 63.41 O ATOM 1359 CB GLU A 104 -9.018 -1.853 -8.948 1.00 65.12 C ATOM 1360 CG GLU A 104 -8.895 -1.164 -10.297 1.00 62.15 C ATOM 1361 CD GLU A 104 -8.988 0.346 -10.193 1.00 73.21 C ATOM 1362 OE1 GLU A 104 -8.811 0.875 -9.076 1.00 23.31 O ATOM 1363 OE2 GLU A 104 -9.236 0.998 -11.229 1.00 35.40 O ATOM 0 H GLU A 104 -9.670 -3.491 -7.128 1.00 32.23 H new ATOM 0 HA GLU A 104 -9.046 -3.745 -9.965 1.00 73.41 H new ATOM 0 HB2 GLU A 104 -10.025 -1.698 -8.561 1.00 65.12 H new ATOM 0 HB3 GLU A 104 -8.330 -1.383 -8.245 1.00 65.12 H new ATOM 0 HG2 GLU A 104 -7.943 -1.435 -10.753 1.00 62.15 H new ATOM 0 HG3 GLU A 104 -9.681 -1.528 -10.959 1.00 62.15 H new ATOM 1368 N ASP A 105 -6.822 -3.964 -7.632 1.00 34.40 N ATOM 1369 CA ASP A 105 -5.416 -4.231 -7.350 1.00 13.23 C ATOM 1370 C ASP A 105 -4.837 -5.219 -8.357 1.00 73.33 C ATOM 1371 O ASP A 105 -5.559 -5.979 -9.002 1.00 51.35 O ATOM 1372 CB ASP A 105 -5.253 -4.776 -5.929 1.00 64.14 C ATOM 1373 CG ASP A 105 -6.362 -5.737 -5.548 1.00 4.52 C ATOM 1374 OD1 ASP A 105 -6.588 -6.709 -6.297 1.00 60.33 O ATOM 1375 OD2 ASP A 105 -7.006 -5.515 -4.501 1.00 3.35 O ATOM 0 H ASP A 105 -7.443 -4.080 -6.831 1.00 34.40 H new ATOM 0 HA ASP A 105 -4.869 -3.292 -7.435 1.00 13.23 H new ATOM 0 HB2 ASP A 105 -4.292 -5.283 -5.845 1.00 64.14 H new ATOM 0 HB3 ASP A 105 -5.238 -3.945 -5.224 1.00 64.14 H new ATOM 1379 N PRO A 106 -3.504 -5.209 -8.497 1.00 20.31 N ATOM 1380 CA PRO A 106 -2.798 -6.099 -9.425 1.00 11.44 C ATOM 1381 C PRO A 106 -2.838 -7.555 -8.974 1.00 62.34 C ATOM 1382 O PRO A 106 -2.083 -7.965 -8.093 1.00 22.10 O ATOM 1383 CB PRO A 106 -1.362 -5.570 -9.399 1.00 61.33 C ATOM 1384 CG PRO A 106 -1.226 -4.904 -8.074 1.00 5.52 C ATOM 1385 CD PRO A 106 -2.581 -4.329 -7.760 1.00 13.02 C ATOM 0 HA PRO A 106 -3.250 -6.096 -10.417 1.00 11.44 H new ATOM 0 HB2 PRO A 106 -0.640 -6.379 -9.511 1.00 61.33 H new ATOM 0 HB3 PRO A 106 -1.184 -4.869 -10.214 1.00 61.33 H new ATOM 0 HG2 PRO A 106 -0.917 -5.616 -7.309 1.00 5.52 H new ATOM 0 HG3 PRO A 106 -0.468 -4.122 -8.106 1.00 5.52 H new ATOM 0 HD2 PRO A 106 -2.784 -4.340 -6.689 1.00 13.02 H new ATOM 0 HD3 PRO A 106 -2.664 -3.293 -8.089 1.00 13.02 H new ATOM 1390 N THR A 107 -3.725 -8.335 -9.586 1.00 21.52 N ATOM 1391 CA THR A 107 -3.863 -9.746 -9.248 1.00 44.30 C ATOM 1392 C THR A 107 -2.861 -10.597 -10.019 1.00 72.10 C ATOM 1393 O THR A 107 -2.483 -11.682 -9.577 1.00 33.33 O ATOM 1394 CB THR A 107 -5.287 -10.256 -9.543 1.00 41.12 C ATOM 1395 OG1 THR A 107 -5.598 -10.067 -10.928 1.00 20.11 O ATOM 1396 CG2 THR A 107 -6.312 -9.529 -8.685 1.00 32.43 C ATOM 0 H THR A 107 -4.358 -8.013 -10.318 1.00 21.52 H new ATOM 0 HA THR A 107 -3.665 -9.837 -8.180 1.00 44.30 H new ATOM 0 HB THR A 107 -5.325 -11.319 -9.304 1.00 41.12 H new ATOM 0 HG1 THR A 107 -6.504 -10.395 -11.108 1.00 20.11 H new ATOM 0 HG21 THR A 107 -7.309 -9.906 -8.911 1.00 32.43 H new ATOM 0 HG22 THR A 107 -6.090 -9.699 -7.631 1.00 32.43 H new ATOM 0 HG23 THR A 107 -6.272 -8.461 -8.897 1.00 32.43 H new ATOM 1404 N LYS A 108 -2.433 -10.098 -11.174 1.00 73.44 N ATOM 1405 CA LYS A 108 -1.472 -10.812 -12.006 1.00 72.10 C ATOM 1406 C LYS A 108 -0.073 -10.225 -11.847 1.00 24.10 C ATOM 1407 O LYS A 108 0.148 -9.329 -11.031 1.00 54.15 O ATOM 1408 CB LYS A 108 -1.896 -10.755 -13.475 1.00 42.04 C ATOM 1409 CG LYS A 108 -3.213 -11.459 -13.756 1.00 32.33 C ATOM 1410 CD LYS A 108 -4.006 -10.747 -14.839 1.00 12.11 C ATOM 1411 CE LYS A 108 -4.683 -9.496 -14.302 1.00 13.44 C ATOM 1412 NZ LYS A 108 -5.959 -9.206 -15.013 1.00 74.33 N ATOM 0 H LYS A 108 -2.737 -9.202 -11.555 1.00 73.44 H new ATOM 0 HA LYS A 108 -1.450 -11.852 -11.681 1.00 72.10 H new ATOM 0 HB2 LYS A 108 -1.979 -9.712 -13.780 1.00 42.04 H new ATOM 0 HB3 LYS A 108 -1.115 -11.205 -14.088 1.00 42.04 H new ATOM 0 HG2 LYS A 108 -3.019 -12.487 -14.062 1.00 32.33 H new ATOM 0 HG3 LYS A 108 -3.804 -11.505 -12.842 1.00 32.33 H new ATOM 0 HD2 LYS A 108 -3.342 -10.479 -15.661 1.00 12.11 H new ATOM 0 HD3 LYS A 108 -4.758 -11.423 -15.245 1.00 12.11 H new ATOM 0 HE2 LYS A 108 -4.881 -9.619 -13.237 1.00 13.44 H new ATOM 0 HE3 LYS A 108 -4.009 -8.646 -14.405 1.00 13.44 H new ATOM 0 HZ1 LYS A 108 -6.389 -8.346 -14.617 1.00 74.33 H new ATOM 0 HZ2 LYS A 108 -5.768 -9.063 -16.025 1.00 74.33 H new ATOM 0 HZ3 LYS A 108 -6.613 -10.006 -14.894 1.00 74.33 H new ATOM 1422 N LYS A 109 0.870 -10.734 -12.633 1.00 21.24 N ATOM 1423 CA LYS A 109 2.248 -10.258 -12.582 1.00 52.53 C ATOM 1424 C LYS A 109 2.829 -10.124 -13.986 1.00 34.43 C ATOM 1425 O LYS A 109 2.174 -10.459 -14.974 1.00 24.14 O ATOM 1426 CB LYS A 109 3.108 -11.213 -11.752 1.00 11.32 C ATOM 1427 CG LYS A 109 3.255 -10.792 -10.299 1.00 5.44 C ATOM 1428 CD LYS A 109 4.385 -11.540 -9.613 1.00 60.13 C ATOM 1429 CE LYS A 109 3.901 -12.849 -9.010 1.00 34.22 C ATOM 1430 NZ LYS A 109 5.032 -13.757 -8.674 1.00 62.42 N ATOM 0 H LYS A 109 0.705 -11.476 -13.313 1.00 21.24 H new ATOM 0 HA LYS A 109 2.250 -9.275 -12.111 1.00 52.53 H new ATOM 0 HB2 LYS A 109 2.669 -12.210 -11.790 1.00 11.32 H new ATOM 0 HB3 LYS A 109 4.098 -11.283 -12.203 1.00 11.32 H new ATOM 0 HG2 LYS A 109 3.443 -9.720 -10.247 1.00 5.44 H new ATOM 0 HG3 LYS A 109 2.321 -10.977 -9.769 1.00 5.44 H new ATOM 0 HD2 LYS A 109 5.179 -11.741 -10.332 1.00 60.13 H new ATOM 0 HD3 LYS A 109 4.815 -10.914 -8.830 1.00 60.13 H new ATOM 0 HE2 LYS A 109 3.322 -12.642 -8.110 1.00 34.22 H new ATOM 0 HE3 LYS A 109 3.232 -13.347 -9.712 1.00 34.22 H new ATOM 0 HZ1 LYS A 109 4.660 -14.638 -8.265 1.00 62.42 H new ATOM 0 HZ2 LYS A 109 5.570 -13.975 -9.537 1.00 62.42 H new ATOM 0 HZ3 LYS A 109 5.657 -13.293 -7.985 1.00 62.42 H new TER 1440 LYS A 109