USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot 37:sc= 1.35 USER MOD Set 1.2: A 78 THR OG1 : rot -86:sc= -0.263 USER MOD Set 1.3: A 87 HIS : no HE2:sc= 0.922 K(o=2,f=-6.5!) USER MOD Single : A 1 ALA N :NH3+ -154:sc= 1.09 (180deg=0.47) USER MOD Single : A 9 LYS NZ :NH3+ -107:sc= 1.17 (180deg=-0.0254) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= -0.0139 (180deg=-0.273) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 131:sc= 0.848 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.157! C(o=-0.16!,f=-5.9!) USER MOD Single : A 50 SER OG : rot -150:sc= 0.499 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.068 USER MOD Single : A 56 SER OG : rot -87:sc= 0.726 USER MOD Single : A 57 LYS NZ :NH3+ 145:sc= 1.22 (180deg=0.288) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -163:sc= 1.22 USER MOD Single : A 71 LYS NZ :NH3+ 155:sc= 1.73 (180deg=-0.373!) USER MOD Single : A 77 LYS NZ :NH3+ -161:sc= -0.0804 (180deg=-0.393) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HE2:sc= 0.875 K(o=0.87,f=-5.2!) USER MOD Single : A 90 HIS : no HD1:sc=-0.00255 X(o=-0.0025,f=-0.32) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.398 8.135 -11.372 1.00 44.40 N ATOM 2 CA ALA A 1 5.187 7.085 -12.049 1.00 51.32 C ATOM 3 C ALA A 1 5.171 5.799 -11.235 1.00 72.41 C ATOM 4 O ALA A 1 4.712 5.785 -10.091 1.00 73.14 O ATOM 5 CB ALA A 1 6.617 7.558 -12.268 1.00 43.42 C ATOM 0 H1 ALA A 1 4.046 8.814 -12.077 1.00 44.40 H new ATOM 0 H2 ALA A 1 3.593 7.700 -10.878 1.00 44.40 H new ATOM 0 H3 ALA A 1 4.999 8.631 -10.684 1.00 44.40 H new ATOM 0 HA ALA A 1 4.735 6.883 -13.020 1.00 51.32 H new ATOM 0 HB1 ALA A 1 7.187 6.775 -12.768 1.00 43.42 H new ATOM 0 HB2 ALA A 1 6.613 8.455 -12.887 1.00 43.42 H new ATOM 0 HB3 ALA A 1 7.077 7.784 -11.306 1.00 43.42 H new ATOM 13 N GLY A 2 5.672 4.729 -11.827 1.00 65.10 N ATOM 14 CA GLY A 2 5.729 3.449 -11.152 1.00 1.31 C ATOM 15 C GLY A 2 6.831 2.589 -11.722 1.00 71.43 C ATOM 16 O GLY A 2 6.590 1.470 -12.179 1.00 44.44 O ATOM 0 H GLY A 2 6.045 4.724 -12.776 1.00 65.10 H new ATOM 0 HA2 GLY A 2 5.896 3.603 -10.086 1.00 1.31 H new ATOM 0 HA3 GLY A 2 4.772 2.936 -11.254 1.00 1.31 H new ATOM 20 N GLU A 3 8.039 3.126 -11.701 1.00 24.25 N ATOM 21 CA GLU A 3 9.186 2.486 -12.323 1.00 11.33 C ATOM 22 C GLU A 3 9.761 1.415 -11.398 1.00 14.13 C ATOM 23 O GLU A 3 9.888 1.626 -10.192 1.00 25.32 O ATOM 24 CB GLU A 3 10.229 3.557 -12.647 1.00 14.55 C ATOM 25 CG GLU A 3 11.307 3.115 -13.616 1.00 53.43 C ATOM 26 CD GLU A 3 12.056 4.296 -14.197 1.00 4.14 C ATOM 27 OE1 GLU A 3 13.024 4.766 -13.566 1.00 51.32 O ATOM 28 OE2 GLU A 3 11.668 4.771 -15.286 1.00 50.20 O ATOM 0 H GLU A 3 8.252 4.017 -11.253 1.00 24.25 H new ATOM 0 HA GLU A 3 8.884 1.992 -13.246 1.00 11.33 H new ATOM 0 HB2 GLU A 3 9.720 4.427 -13.062 1.00 14.55 H new ATOM 0 HB3 GLU A 3 10.702 3.877 -11.719 1.00 14.55 H new ATOM 0 HG2 GLU A 3 12.008 2.455 -13.104 1.00 53.43 H new ATOM 0 HG3 GLU A 3 10.856 2.537 -14.423 1.00 53.43 H new ATOM 35 N ILE A 4 10.103 0.266 -11.967 1.00 22.31 N ATOM 36 CA ILE A 4 10.568 -0.865 -11.177 1.00 12.13 C ATOM 37 C ILE A 4 12.093 -0.912 -11.156 1.00 55.12 C ATOM 38 O ILE A 4 12.754 -0.255 -11.961 1.00 70.33 O ATOM 39 CB ILE A 4 10.033 -2.210 -11.719 1.00 73.34 C ATOM 40 CG1 ILE A 4 8.777 -1.992 -12.570 1.00 24.32 C ATOM 41 CG2 ILE A 4 9.727 -3.154 -10.564 1.00 22.22 C ATOM 42 CD1 ILE A 4 8.239 -3.257 -13.204 1.00 35.42 C ATOM 0 H ILE A 4 10.067 0.094 -12.972 1.00 22.31 H new ATOM 0 HA ILE A 4 10.184 -0.722 -10.167 1.00 12.13 H new ATOM 0 HB ILE A 4 10.801 -2.657 -12.350 1.00 73.34 H new ATOM 0 HG12 ILE A 4 8.000 -1.551 -11.946 1.00 24.32 H new ATOM 0 HG13 ILE A 4 9.003 -1.271 -13.356 1.00 24.32 H new ATOM 0 HG21 ILE A 4 9.351 -4.099 -10.956 1.00 22.22 H new ATOM 0 HG22 ILE A 4 10.637 -3.335 -9.992 1.00 22.22 H new ATOM 0 HG23 ILE A 4 8.974 -2.704 -9.916 1.00 22.22 H new ATOM 0 HD11 ILE A 4 7.351 -3.021 -13.790 1.00 35.42 H new ATOM 0 HD12 ILE A 4 8.999 -3.689 -13.855 1.00 35.42 H new ATOM 0 HD13 ILE A 4 7.980 -3.973 -12.424 1.00 35.42 H new ATOM 54 N GLY A 5 12.642 -1.700 -10.248 1.00 54.12 N ATOM 55 CA GLY A 5 14.082 -1.778 -10.100 1.00 23.51 C ATOM 56 C GLY A 5 14.481 -1.768 -8.646 1.00 53.23 C ATOM 57 O GLY A 5 15.464 -1.136 -8.257 1.00 53.34 O ATOM 0 H GLY A 5 12.114 -2.291 -9.606 1.00 54.12 H new ATOM 0 HA2 GLY A 5 14.450 -2.687 -10.575 1.00 23.51 H new ATOM 0 HA3 GLY A 5 14.549 -0.938 -10.614 1.00 23.51 H new ATOM 61 N PHE A 6 13.708 -2.480 -7.847 1.00 71.43 N ATOM 62 CA PHE A 6 13.894 -2.488 -6.401 1.00 3.12 C ATOM 63 C PHE A 6 14.941 -3.515 -5.987 1.00 3.41 C ATOM 64 O PHE A 6 15.570 -4.151 -6.835 1.00 51.34 O ATOM 65 CB PHE A 6 12.564 -2.777 -5.698 1.00 51.44 C ATOM 66 CG PHE A 6 11.503 -1.763 -6.004 1.00 64.13 C ATOM 67 CD1 PHE A 6 11.472 -0.550 -5.335 1.00 40.02 C ATOM 68 CD2 PHE A 6 10.539 -2.018 -6.969 1.00 10.41 C ATOM 69 CE1 PHE A 6 10.504 0.391 -5.622 1.00 3.14 C ATOM 70 CE2 PHE A 6 9.567 -1.082 -7.260 1.00 51.24 C ATOM 71 CZ PHE A 6 9.551 0.124 -6.585 1.00 31.15 C ATOM 0 H PHE A 6 12.939 -3.065 -8.174 1.00 71.43 H new ATOM 0 HA PHE A 6 14.249 -1.502 -6.101 1.00 3.12 H new ATOM 0 HB2 PHE A 6 12.210 -3.764 -5.995 1.00 51.44 H new ATOM 0 HB3 PHE A 6 12.729 -2.808 -4.621 1.00 51.44 H new ATOM 0 HD1 PHE A 6 12.214 -0.338 -4.580 1.00 40.02 H new ATOM 0 HD2 PHE A 6 10.549 -2.959 -7.498 1.00 10.41 H new ATOM 0 HE1 PHE A 6 10.492 1.334 -5.095 1.00 3.14 H new ATOM 0 HE2 PHE A 6 8.821 -1.291 -8.013 1.00 51.24 H new ATOM 0 HZ PHE A 6 8.792 0.858 -6.811 1.00 31.15 H new ATOM 81 N ILE A 7 15.127 -3.662 -4.682 1.00 65.24 N ATOM 82 CA ILE A 7 16.075 -4.627 -4.146 1.00 32.14 C ATOM 83 C ILE A 7 15.533 -6.040 -4.324 1.00 32.23 C ATOM 84 O ILE A 7 16.226 -6.926 -4.830 1.00 14.42 O ATOM 85 CB ILE A 7 16.354 -4.370 -2.649 1.00 53.10 C ATOM 86 CG1 ILE A 7 16.855 -2.936 -2.444 1.00 32.43 C ATOM 87 CG2 ILE A 7 17.366 -5.374 -2.110 1.00 51.14 C ATOM 88 CD1 ILE A 7 17.064 -2.565 -0.992 1.00 1.34 C ATOM 0 H ILE A 7 14.631 -3.122 -3.973 1.00 65.24 H new ATOM 0 HA ILE A 7 17.011 -4.516 -4.694 1.00 32.14 H new ATOM 0 HB ILE A 7 15.424 -4.497 -2.096 1.00 53.10 H new ATOM 0 HG12 ILE A 7 17.795 -2.809 -2.981 1.00 32.43 H new ATOM 0 HG13 ILE A 7 16.139 -2.244 -2.887 1.00 32.43 H new ATOM 0 HG21 ILE A 7 17.548 -5.175 -1.054 1.00 51.14 H new ATOM 0 HG22 ILE A 7 16.974 -6.384 -2.227 1.00 51.14 H new ATOM 0 HG23 ILE A 7 18.301 -5.281 -2.663 1.00 51.14 H new ATOM 0 HD11 ILE A 7 17.419 -1.536 -0.927 1.00 1.34 H new ATOM 0 HD12 ILE A 7 16.121 -2.659 -0.453 1.00 1.34 H new ATOM 0 HD13 ILE A 7 17.803 -3.232 -0.549 1.00 1.34 H new ATOM 100 N ILE A 8 14.290 -6.236 -3.911 1.00 62.25 N ATOM 101 CA ILE A 8 13.624 -7.517 -4.062 1.00 62.13 C ATOM 102 C ILE A 8 12.971 -7.608 -5.434 1.00 73.13 C ATOM 103 O ILE A 8 12.261 -6.692 -5.860 1.00 20.43 O ATOM 104 CB ILE A 8 12.563 -7.734 -2.958 1.00 40.31 C ATOM 105 CG1 ILE A 8 13.236 -7.738 -1.586 1.00 40.22 C ATOM 106 CG2 ILE A 8 11.807 -9.038 -3.178 1.00 64.42 C ATOM 107 CD1 ILE A 8 12.267 -7.867 -0.429 1.00 43.41 C ATOM 0 H ILE A 8 13.720 -5.517 -3.466 1.00 62.25 H new ATOM 0 HA ILE A 8 14.377 -8.300 -3.966 1.00 62.13 H new ATOM 0 HB ILE A 8 11.845 -6.915 -3.003 1.00 40.31 H new ATOM 0 HG12 ILE A 8 13.949 -8.562 -1.544 1.00 40.22 H new ATOM 0 HG13 ILE A 8 13.806 -6.816 -1.469 1.00 40.22 H new ATOM 0 HG21 ILE A 8 11.067 -9.167 -2.388 1.00 64.42 H new ATOM 0 HG22 ILE A 8 11.305 -9.009 -4.145 1.00 64.42 H new ATOM 0 HG23 ILE A 8 12.508 -9.873 -3.158 1.00 64.42 H new ATOM 0 HD11 ILE A 8 12.820 -7.862 0.511 1.00 43.41 H new ATOM 0 HD12 ILE A 8 11.569 -7.030 -0.444 1.00 43.41 H new ATOM 0 HD13 ILE A 8 11.714 -8.802 -0.520 1.00 43.41 H new ATOM 119 N LYS A 9 13.228 -8.709 -6.122 1.00 64.05 N ATOM 120 CA LYS A 9 12.705 -8.924 -7.461 1.00 72.52 C ATOM 121 C LYS A 9 11.229 -9.303 -7.421 1.00 44.31 C ATOM 122 O LYS A 9 10.646 -9.477 -6.349 1.00 73.22 O ATOM 123 CB LYS A 9 13.520 -10.004 -8.181 1.00 31.00 C ATOM 124 CG LYS A 9 14.395 -9.451 -9.294 1.00 35.41 C ATOM 125 CD LYS A 9 13.546 -8.903 -10.428 1.00 53.23 C ATOM 126 CE LYS A 9 14.382 -8.208 -11.489 1.00 11.22 C ATOM 127 NZ LYS A 9 13.536 -7.717 -12.607 1.00 33.52 N ATOM 0 H LYS A 9 13.802 -9.475 -5.770 1.00 64.05 H new ATOM 0 HA LYS A 9 12.794 -7.990 -8.015 1.00 72.52 H new ATOM 0 HB2 LYS A 9 14.149 -10.520 -7.455 1.00 31.00 H new ATOM 0 HB3 LYS A 9 12.839 -10.747 -8.598 1.00 31.00 H new ATOM 0 HG2 LYS A 9 15.036 -8.662 -8.900 1.00 35.41 H new ATOM 0 HG3 LYS A 9 15.050 -10.236 -9.671 1.00 35.41 H new ATOM 0 HD2 LYS A 9 12.986 -9.718 -10.886 1.00 53.23 H new ATOM 0 HD3 LYS A 9 12.816 -8.201 -10.026 1.00 53.23 H new ATOM 0 HE2 LYS A 9 14.919 -7.371 -11.042 1.00 11.22 H new ATOM 0 HE3 LYS A 9 15.132 -8.899 -11.874 1.00 11.22 H new ATOM 0 HZ1 LYS A 9 13.685 -8.316 -13.444 1.00 33.52 H new ATOM 0 HZ2 LYS A 9 12.535 -7.756 -12.328 1.00 33.52 H new ATOM 0 HZ3 LYS A 9 13.795 -6.735 -12.833 1.00 33.52 H new ATOM 141 N GLU A 10 10.629 -9.414 -8.600 1.00 44.33 N ATOM 142 CA GLU A 10 9.222 -9.726 -8.723 1.00 72.42 C ATOM 143 C GLU A 10 8.951 -11.173 -8.311 1.00 51.11 C ATOM 144 O GLU A 10 9.869 -11.998 -8.267 1.00 14.32 O ATOM 145 CB GLU A 10 8.770 -9.495 -10.169 1.00 20.04 C ATOM 146 CG GLU A 10 8.784 -8.036 -10.620 1.00 12.30 C ATOM 147 CD GLU A 10 10.180 -7.489 -10.863 1.00 51.12 C ATOM 148 OE1 GLU A 10 10.788 -7.834 -11.897 1.00 34.31 O ATOM 149 OE2 GLU A 10 10.668 -6.697 -10.032 1.00 72.21 O ATOM 0 H GLU A 10 11.108 -9.289 -9.492 1.00 44.33 H new ATOM 0 HA GLU A 10 8.657 -9.072 -8.059 1.00 72.42 H new ATOM 0 HB2 GLU A 10 9.414 -10.072 -10.833 1.00 20.04 H new ATOM 0 HB3 GLU A 10 7.760 -9.887 -10.286 1.00 20.04 H new ATOM 0 HG2 GLU A 10 8.201 -7.942 -11.536 1.00 12.30 H new ATOM 0 HG3 GLU A 10 8.290 -7.426 -9.864 1.00 12.30 H new ATOM 156 N GLY A 11 7.692 -11.488 -8.046 1.00 54.40 N ATOM 157 CA GLY A 11 7.341 -12.818 -7.598 1.00 25.04 C ATOM 158 C GLY A 11 5.844 -13.017 -7.511 1.00 21.22 C ATOM 159 O GLY A 11 5.074 -12.066 -7.662 1.00 61.34 O ATOM 0 H GLY A 11 6.906 -10.844 -8.134 1.00 54.40 H new ATOM 0 HA2 GLY A 11 7.764 -13.553 -8.283 1.00 25.04 H new ATOM 0 HA3 GLY A 11 7.787 -12.999 -6.620 1.00 25.04 H new ATOM 163 N ASP A 12 5.434 -14.250 -7.259 1.00 54.01 N ATOM 164 CA ASP A 12 4.017 -14.604 -7.188 1.00 72.33 C ATOM 165 C ASP A 12 3.430 -14.208 -5.838 1.00 12.52 C ATOM 166 O ASP A 12 2.226 -14.002 -5.706 1.00 71.15 O ATOM 167 CB ASP A 12 3.838 -16.109 -7.423 1.00 14.55 C ATOM 168 CG ASP A 12 2.394 -16.506 -7.668 1.00 61.30 C ATOM 169 OD1 ASP A 12 1.852 -16.173 -8.743 1.00 34.41 O ATOM 170 OD2 ASP A 12 1.798 -17.175 -6.799 1.00 14.11 O ATOM 0 H ASP A 12 6.067 -15.033 -7.098 1.00 54.01 H new ATOM 0 HA ASP A 12 3.485 -14.058 -7.967 1.00 72.33 H new ATOM 0 HB2 ASP A 12 4.442 -16.411 -8.279 1.00 14.55 H new ATOM 0 HB3 ASP A 12 4.216 -16.653 -6.558 1.00 14.55 H new ATOM 175 N GLU A 13 4.299 -14.090 -4.846 1.00 72.20 N ATOM 176 CA GLU A 13 3.891 -13.710 -3.498 1.00 54.12 C ATOM 177 C GLU A 13 4.261 -12.257 -3.218 1.00 14.22 C ATOM 178 O GLU A 13 4.074 -11.756 -2.109 1.00 42.24 O ATOM 179 CB GLU A 13 4.551 -14.620 -2.454 1.00 4.01 C ATOM 180 CG GLU A 13 6.074 -14.530 -2.410 1.00 74.31 C ATOM 181 CD GLU A 13 6.754 -15.282 -3.537 1.00 44.12 C ATOM 182 OE1 GLU A 13 6.877 -14.726 -4.646 1.00 62.44 O ATOM 183 OE2 GLU A 13 7.162 -16.440 -3.315 1.00 1.21 O ATOM 0 H GLU A 13 5.301 -14.253 -4.949 1.00 72.20 H new ATOM 0 HA GLU A 13 2.809 -13.822 -3.430 1.00 54.12 H new ATOM 0 HB2 GLU A 13 4.156 -14.369 -1.470 1.00 4.01 H new ATOM 0 HB3 GLU A 13 4.266 -15.652 -2.658 1.00 4.01 H new ATOM 0 HG2 GLU A 13 6.370 -13.482 -2.452 1.00 74.31 H new ATOM 0 HG3 GLU A 13 6.426 -14.923 -1.456 1.00 74.31 H new ATOM 190 N VAL A 14 4.786 -11.591 -4.230 1.00 64.14 N ATOM 191 CA VAL A 14 5.235 -10.217 -4.092 1.00 60.43 C ATOM 192 C VAL A 14 4.157 -9.250 -4.573 1.00 10.13 C ATOM 193 O VAL A 14 3.479 -9.509 -5.568 1.00 54.01 O ATOM 194 CB VAL A 14 6.540 -9.982 -4.885 1.00 61.21 C ATOM 195 CG1 VAL A 14 7.019 -8.546 -4.742 1.00 62.53 C ATOM 196 CG2 VAL A 14 7.621 -10.953 -4.432 1.00 23.51 C ATOM 0 H VAL A 14 4.913 -11.983 -5.163 1.00 64.14 H new ATOM 0 HA VAL A 14 5.431 -10.033 -3.036 1.00 60.43 H new ATOM 0 HB VAL A 14 6.330 -10.162 -5.939 1.00 61.21 H new ATOM 0 HG11 VAL A 14 7.939 -8.411 -5.311 1.00 62.53 H new ATOM 0 HG12 VAL A 14 6.255 -7.868 -5.122 1.00 62.53 H new ATOM 0 HG13 VAL A 14 7.207 -8.328 -3.691 1.00 62.53 H new ATOM 0 HG21 VAL A 14 8.533 -10.773 -5.001 1.00 23.51 H new ATOM 0 HG22 VAL A 14 7.821 -10.806 -3.371 1.00 23.51 H new ATOM 0 HG23 VAL A 14 7.284 -11.976 -4.600 1.00 23.51 H new ATOM 206 N ALA A 15 3.982 -8.157 -3.844 1.00 42.42 N ATOM 207 CA ALA A 15 3.021 -7.129 -4.214 1.00 63.33 C ATOM 208 C ALA A 15 3.596 -5.739 -3.978 1.00 41.30 C ATOM 209 O ALA A 15 3.871 -5.361 -2.841 1.00 74.12 O ATOM 210 CB ALA A 15 1.734 -7.302 -3.420 1.00 11.15 C ATOM 0 H ALA A 15 4.498 -7.959 -2.986 1.00 42.42 H new ATOM 0 HA ALA A 15 2.801 -7.235 -5.276 1.00 63.33 H new ATOM 0 HB1 ALA A 15 1.023 -6.527 -3.706 1.00 11.15 H new ATOM 0 HB2 ALA A 15 1.306 -8.282 -3.630 1.00 11.15 H new ATOM 0 HB3 ALA A 15 1.950 -7.221 -2.355 1.00 11.15 H new ATOM 216 N ASP A 16 3.795 -4.989 -5.050 1.00 23.12 N ATOM 217 CA ASP A 16 4.232 -3.608 -4.931 1.00 15.41 C ATOM 218 C ASP A 16 3.060 -2.658 -5.113 1.00 31.42 C ATOM 219 O ASP A 16 2.289 -2.760 -6.070 1.00 43.45 O ATOM 220 CB ASP A 16 5.360 -3.271 -5.917 1.00 11.33 C ATOM 221 CG ASP A 16 5.108 -3.743 -7.337 1.00 53.23 C ATOM 222 OD1 ASP A 16 4.415 -3.035 -8.099 1.00 33.02 O ATOM 223 OD2 ASP A 16 5.632 -4.812 -7.703 1.00 21.55 O ATOM 0 H ASP A 16 3.661 -5.312 -6.008 1.00 23.12 H new ATOM 0 HA ASP A 16 4.634 -3.482 -3.926 1.00 15.41 H new ATOM 0 HB2 ASP A 16 5.508 -2.191 -5.926 1.00 11.33 H new ATOM 0 HB3 ASP A 16 6.287 -3.717 -5.557 1.00 11.33 H new ATOM 228 N VAL A 17 2.924 -1.742 -4.171 1.00 23.54 N ATOM 229 CA VAL A 17 1.814 -0.805 -4.160 1.00 54.45 C ATOM 230 C VAL A 17 2.319 0.617 -4.327 1.00 40.31 C ATOM 231 O VAL A 17 3.369 0.984 -3.800 1.00 21.43 O ATOM 232 CB VAL A 17 1.010 -0.903 -2.846 1.00 62.41 C ATOM 233 CG1 VAL A 17 -0.277 -0.094 -2.933 1.00 64.01 C ATOM 234 CG2 VAL A 17 0.713 -2.356 -2.501 1.00 13.13 C ATOM 0 H VAL A 17 3.576 -1.626 -3.395 1.00 23.54 H new ATOM 0 HA VAL A 17 1.160 -1.064 -4.993 1.00 54.45 H new ATOM 0 HB VAL A 17 1.619 -0.481 -2.046 1.00 62.41 H new ATOM 0 HG11 VAL A 17 -0.825 -0.180 -1.995 1.00 64.01 H new ATOM 0 HG12 VAL A 17 -0.037 0.953 -3.119 1.00 64.01 H new ATOM 0 HG13 VAL A 17 -0.892 -0.475 -3.748 1.00 64.01 H new ATOM 0 HG21 VAL A 17 0.146 -2.401 -1.571 1.00 13.13 H new ATOM 0 HG22 VAL A 17 0.131 -2.809 -3.304 1.00 13.13 H new ATOM 0 HG23 VAL A 17 1.650 -2.900 -2.381 1.00 13.13 H new ATOM 244 N THR A 18 1.570 1.406 -5.067 1.00 33.21 N ATOM 245 CA THR A 18 1.925 2.784 -5.316 1.00 75.45 C ATOM 246 C THR A 18 1.038 3.713 -4.494 1.00 11.04 C ATOM 247 O THR A 18 -0.158 3.835 -4.753 1.00 73.23 O ATOM 248 CB THR A 18 1.780 3.109 -6.812 1.00 61.21 C ATOM 249 OG1 THR A 18 2.547 2.175 -7.585 1.00 30.03 O ATOM 250 CG2 THR A 18 2.241 4.528 -7.118 1.00 55.42 C ATOM 0 H THR A 18 0.701 1.110 -5.511 1.00 33.21 H new ATOM 0 HA THR A 18 2.964 2.934 -5.021 1.00 75.45 H new ATOM 0 HB THR A 18 0.725 3.031 -7.076 1.00 61.21 H new ATOM 0 HG1 THR A 18 2.452 2.383 -8.538 1.00 30.03 H new ATOM 0 HG21 THR A 18 2.126 4.726 -8.184 1.00 55.42 H new ATOM 0 HG22 THR A 18 1.639 5.237 -6.550 1.00 55.42 H new ATOM 0 HG23 THR A 18 3.289 4.638 -6.840 1.00 55.42 H new ATOM 258 N ILE A 19 1.633 4.353 -3.500 1.00 60.22 N ATOM 259 CA ILE A 19 0.906 5.265 -2.632 1.00 62.05 C ATOM 260 C ILE A 19 1.160 6.695 -3.077 1.00 32.44 C ATOM 261 O ILE A 19 2.266 7.026 -3.506 1.00 51.03 O ATOM 262 CB ILE A 19 1.334 5.102 -1.158 1.00 21.54 C ATOM 263 CG1 ILE A 19 1.197 3.639 -0.723 1.00 12.22 C ATOM 264 CG2 ILE A 19 0.517 6.008 -0.246 1.00 53.02 C ATOM 265 CD1 ILE A 19 1.637 3.380 0.702 1.00 34.42 C ATOM 0 H ILE A 19 2.623 4.257 -3.274 1.00 60.22 H new ATOM 0 HA ILE A 19 -0.156 5.031 -2.705 1.00 62.05 H new ATOM 0 HB ILE A 19 2.380 5.397 -1.074 1.00 21.54 H new ATOM 0 HG12 ILE A 19 0.157 3.333 -0.833 1.00 12.22 H new ATOM 0 HG13 ILE A 19 1.786 3.014 -1.394 1.00 12.22 H new ATOM 0 HG21 ILE A 19 0.840 5.872 0.786 1.00 53.02 H new ATOM 0 HG22 ILE A 19 0.665 7.048 -0.539 1.00 53.02 H new ATOM 0 HG23 ILE A 19 -0.539 5.754 -0.332 1.00 53.02 H new ATOM 0 HD11 ILE A 19 1.510 2.323 0.936 1.00 34.42 H new ATOM 0 HD12 ILE A 19 2.686 3.653 0.814 1.00 34.42 H new ATOM 0 HD13 ILE A 19 1.032 3.977 1.384 1.00 34.42 H new ATOM 277 N PHE A 20 0.144 7.534 -2.983 1.00 13.50 N ATOM 278 CA PHE A 20 0.249 8.908 -3.437 1.00 43.33 C ATOM 279 C PHE A 20 -0.483 9.866 -2.502 1.00 60.02 C ATOM 280 O PHE A 20 -1.536 9.539 -1.950 1.00 31.33 O ATOM 281 CB PHE A 20 -0.287 9.042 -4.867 1.00 45.34 C ATOM 282 CG PHE A 20 -1.677 8.499 -5.071 1.00 44.00 C ATOM 283 CD1 PHE A 20 -1.874 7.167 -5.404 1.00 63.31 C ATOM 284 CD2 PHE A 20 -2.785 9.322 -4.940 1.00 64.35 C ATOM 285 CE1 PHE A 20 -3.150 6.668 -5.597 1.00 53.44 C ATOM 286 CE2 PHE A 20 -4.059 8.828 -5.134 1.00 43.15 C ATOM 287 CZ PHE A 20 -4.243 7.500 -5.461 1.00 12.22 C ATOM 0 H PHE A 20 -0.766 7.286 -2.595 1.00 13.50 H new ATOM 0 HA PHE A 20 1.305 9.179 -3.429 1.00 43.33 H new ATOM 0 HB2 PHE A 20 -0.278 10.095 -5.147 1.00 45.34 H new ATOM 0 HB3 PHE A 20 0.393 8.527 -5.545 1.00 45.34 H new ATOM 0 HD1 PHE A 20 -1.022 6.512 -5.514 1.00 63.31 H new ATOM 0 HD2 PHE A 20 -2.650 10.362 -4.683 1.00 64.35 H new ATOM 0 HE1 PHE A 20 -3.291 5.628 -5.854 1.00 53.44 H new ATOM 0 HE2 PHE A 20 -4.913 9.481 -5.030 1.00 43.15 H new ATOM 0 HZ PHE A 20 -5.240 7.113 -5.610 1.00 12.22 H new ATOM 297 N ALA A 21 0.100 11.045 -2.332 1.00 24.45 N ATOM 298 CA ALA A 21 -0.478 12.106 -1.517 1.00 32.30 C ATOM 299 C ALA A 21 0.304 13.395 -1.733 1.00 53.01 C ATOM 300 O ALA A 21 1.416 13.360 -2.245 1.00 53.04 O ATOM 301 CB ALA A 21 -0.486 11.727 -0.045 1.00 4.33 C ATOM 0 H ALA A 21 0.993 11.294 -2.758 1.00 24.45 H new ATOM 0 HA ALA A 21 -1.513 12.256 -1.823 1.00 32.30 H new ATOM 0 HB1 ALA A 21 -0.923 12.538 0.537 1.00 4.33 H new ATOM 0 HB2 ALA A 21 -1.076 10.821 0.094 1.00 4.33 H new ATOM 0 HB3 ALA A 21 0.536 11.549 0.290 1.00 4.33 H new ATOM 307 N GLU A 22 -0.271 14.523 -1.349 1.00 21.34 N ATOM 308 CA GLU A 22 0.352 15.821 -1.603 1.00 64.00 C ATOM 309 C GLU A 22 1.496 16.116 -0.630 1.00 44.04 C ATOM 310 O GLU A 22 2.435 16.837 -0.972 1.00 75.51 O ATOM 311 CB GLU A 22 -0.701 16.928 -1.529 1.00 31.21 C ATOM 312 CG GLU A 22 -1.713 16.883 -2.661 1.00 3.31 C ATOM 313 CD GLU A 22 -1.091 17.195 -4.007 1.00 62.11 C ATOM 314 OE1 GLU A 22 -0.974 18.394 -4.345 1.00 1.14 O ATOM 315 OE2 GLU A 22 -0.715 16.252 -4.729 1.00 35.42 O ATOM 0 H GLU A 22 -1.166 14.571 -0.861 1.00 21.34 H new ATOM 0 HA GLU A 22 0.781 15.788 -2.605 1.00 64.00 H new ATOM 0 HB2 GLU A 22 -1.229 16.853 -0.578 1.00 31.21 H new ATOM 0 HB3 GLU A 22 -0.200 17.896 -1.540 1.00 31.21 H new ATOM 0 HG2 GLU A 22 -2.171 15.894 -2.696 1.00 3.31 H new ATOM 0 HG3 GLU A 22 -2.512 17.597 -2.459 1.00 3.31 H new ATOM 322 N THR A 23 1.426 15.559 0.571 1.00 24.15 N ATOM 323 CA THR A 23 2.425 15.839 1.588 1.00 51.42 C ATOM 324 C THR A 23 3.217 14.588 1.948 1.00 2.25 C ATOM 325 O THR A 23 2.683 13.476 1.919 1.00 42.14 O ATOM 326 CB THR A 23 1.773 16.421 2.856 1.00 40.01 C ATOM 327 OG1 THR A 23 0.615 15.650 3.214 1.00 35.32 O ATOM 328 CG2 THR A 23 1.376 17.873 2.646 1.00 73.34 C ATOM 0 H THR A 23 0.691 14.914 0.862 1.00 24.15 H new ATOM 0 HA THR A 23 3.111 16.576 1.171 1.00 51.42 H new ATOM 0 HB THR A 23 2.503 16.375 3.664 1.00 40.01 H new ATOM 0 HG1 THR A 23 0.208 16.027 4.022 1.00 35.32 H new ATOM 0 HG21 THR A 23 0.918 18.260 3.556 1.00 73.34 H new ATOM 0 HG22 THR A 23 2.262 18.461 2.407 1.00 73.34 H new ATOM 0 HG23 THR A 23 0.663 17.940 1.824 1.00 73.34 H new ATOM 336 N LYS A 24 4.487 14.779 2.296 1.00 45.34 N ATOM 337 CA LYS A 24 5.365 13.674 2.674 1.00 33.34 C ATOM 338 C LYS A 24 4.837 12.992 3.930 1.00 10.43 C ATOM 339 O LYS A 24 4.936 11.776 4.087 1.00 21.22 O ATOM 340 CB LYS A 24 6.782 14.193 2.921 1.00 34.13 C ATOM 341 CG LYS A 24 7.815 13.095 3.106 1.00 24.31 C ATOM 342 CD LYS A 24 9.196 13.669 3.367 1.00 31.31 C ATOM 343 CE LYS A 24 10.243 12.571 3.441 1.00 33.10 C ATOM 344 NZ LYS A 24 11.605 13.110 3.683 1.00 0.41 N ATOM 0 H LYS A 24 4.934 15.695 2.324 1.00 45.34 H new ATOM 0 HA LYS A 24 5.388 12.949 1.860 1.00 33.34 H new ATOM 0 HB2 LYS A 24 7.080 14.821 2.082 1.00 34.13 H new ATOM 0 HB3 LYS A 24 6.777 14.827 3.808 1.00 34.13 H new ATOM 0 HG2 LYS A 24 7.522 12.455 3.939 1.00 24.31 H new ATOM 0 HG3 LYS A 24 7.843 12.467 2.216 1.00 24.31 H new ATOM 0 HD2 LYS A 24 9.457 14.371 2.575 1.00 31.31 H new ATOM 0 HD3 LYS A 24 9.188 14.231 4.301 1.00 31.31 H new ATOM 0 HE2 LYS A 24 9.982 11.876 4.239 1.00 33.10 H new ATOM 0 HE3 LYS A 24 10.239 12.004 2.510 1.00 33.10 H new ATOM 0 HZ1 LYS A 24 12.286 12.325 3.726 1.00 0.41 H new ATOM 0 HZ2 LYS A 24 11.866 13.753 2.909 1.00 0.41 H new ATOM 0 HZ3 LYS A 24 11.618 13.629 4.584 1.00 0.41 H new ATOM 358 N ASP A 25 4.280 13.803 4.818 1.00 74.44 N ATOM 359 CA ASP A 25 3.647 13.313 6.042 1.00 61.22 C ATOM 360 C ASP A 25 2.541 12.317 5.721 1.00 4.34 C ATOM 361 O ASP A 25 2.438 11.268 6.355 1.00 60.11 O ATOM 362 CB ASP A 25 3.071 14.491 6.827 1.00 31.34 C ATOM 363 CG ASP A 25 2.379 14.075 8.110 1.00 54.34 C ATOM 364 OD1 ASP A 25 3.063 13.955 9.146 1.00 5.41 O ATOM 365 OD2 ASP A 25 1.141 13.909 8.096 1.00 43.40 O ATOM 0 H ASP A 25 4.252 14.817 4.714 1.00 74.44 H new ATOM 0 HA ASP A 25 4.401 12.805 6.643 1.00 61.22 H new ATOM 0 HB2 ASP A 25 3.875 15.188 7.065 1.00 31.34 H new ATOM 0 HB3 ASP A 25 2.361 15.027 6.197 1.00 31.34 H new ATOM 370 N ALA A 26 1.730 12.642 4.725 1.00 51.10 N ATOM 371 CA ALA A 26 0.647 11.763 4.318 1.00 72.20 C ATOM 372 C ALA A 26 1.203 10.469 3.741 1.00 60.41 C ATOM 373 O ALA A 26 0.695 9.387 4.032 1.00 72.00 O ATOM 374 CB ALA A 26 -0.257 12.460 3.317 1.00 54.03 C ATOM 0 H ALA A 26 1.802 13.505 4.186 1.00 51.10 H new ATOM 0 HA ALA A 26 0.050 11.515 5.196 1.00 72.20 H new ATOM 0 HB1 ALA A 26 -1.062 11.787 3.023 1.00 54.03 H new ATOM 0 HB2 ALA A 26 -0.680 13.356 3.771 1.00 54.03 H new ATOM 0 HB3 ALA A 26 0.322 12.739 2.436 1.00 54.03 H new ATOM 380 N LEU A 27 2.262 10.585 2.937 1.00 71.41 N ATOM 381 CA LEU A 27 2.949 9.416 2.401 1.00 0.43 C ATOM 382 C LEU A 27 3.389 8.494 3.530 1.00 13.35 C ATOM 383 O LEU A 27 3.066 7.309 3.536 1.00 61.51 O ATOM 384 CB LEU A 27 4.179 9.828 1.582 1.00 60.01 C ATOM 385 CG LEU A 27 3.982 9.906 0.066 1.00 35.53 C ATOM 386 CD1 LEU A 27 3.041 11.036 -0.302 1.00 65.03 C ATOM 387 CD2 LEU A 27 5.322 10.077 -0.634 1.00 1.55 C ATOM 0 H LEU A 27 2.660 11.478 2.645 1.00 71.41 H new ATOM 0 HA LEU A 27 2.249 8.891 1.751 1.00 0.43 H new ATOM 0 HB2 LEU A 27 4.516 10.803 1.935 1.00 60.01 H new ATOM 0 HB3 LEU A 27 4.982 9.120 1.788 1.00 60.01 H new ATOM 0 HG LEU A 27 3.532 8.971 -0.267 1.00 35.53 H new ATOM 0 HD11 LEU A 27 2.918 11.069 -1.385 1.00 65.03 H new ATOM 0 HD12 LEU A 27 2.072 10.870 0.168 1.00 65.03 H new ATOM 0 HD13 LEU A 27 3.455 11.982 0.045 1.00 65.03 H new ATOM 0 HD21 LEU A 27 5.165 10.131 -1.711 1.00 1.55 H new ATOM 0 HD22 LEU A 27 5.798 10.995 -0.290 1.00 1.55 H new ATOM 0 HD23 LEU A 27 5.964 9.227 -0.403 1.00 1.55 H new ATOM 399 N GLU A 28 4.114 9.060 4.488 1.00 34.35 N ATOM 400 CA GLU A 28 4.626 8.310 5.620 1.00 63.32 C ATOM 401 C GLU A 28 3.499 7.715 6.464 1.00 21.10 C ATOM 402 O GLU A 28 3.573 6.556 6.877 1.00 33.12 O ATOM 403 CB GLU A 28 5.516 9.210 6.478 1.00 41.13 C ATOM 404 CG GLU A 28 6.887 9.456 5.871 1.00 64.22 C ATOM 405 CD GLU A 28 7.916 9.862 6.904 1.00 12.02 C ATOM 406 OE1 GLU A 28 8.506 8.959 7.540 1.00 34.52 O ATOM 407 OE2 GLU A 28 8.149 11.074 7.085 1.00 13.10 O ATOM 0 H GLU A 28 4.361 10.050 4.499 1.00 34.35 H new ATOM 0 HA GLU A 28 5.216 7.479 5.233 1.00 63.32 H new ATOM 0 HB2 GLU A 28 5.016 10.167 6.628 1.00 41.13 H new ATOM 0 HB3 GLU A 28 5.638 8.757 7.462 1.00 41.13 H new ATOM 0 HG2 GLU A 28 7.224 8.552 5.364 1.00 64.22 H new ATOM 0 HG3 GLU A 28 6.810 10.236 5.114 1.00 64.22 H new ATOM 414 N SER A 29 2.456 8.499 6.704 1.00 74.54 N ATOM 415 CA SER A 29 1.343 8.054 7.532 1.00 43.55 C ATOM 416 C SER A 29 0.604 6.890 6.873 1.00 15.33 C ATOM 417 O SER A 29 0.377 5.851 7.496 1.00 42.33 O ATOM 418 CB SER A 29 0.376 9.214 7.774 1.00 11.44 C ATOM 419 OG SER A 29 -0.545 8.911 8.809 1.00 33.33 O ATOM 0 H SER A 29 2.358 9.446 6.337 1.00 74.54 H new ATOM 0 HA SER A 29 1.742 7.711 8.487 1.00 43.55 H new ATOM 0 HB2 SER A 29 0.938 10.110 8.036 1.00 11.44 H new ATOM 0 HB3 SER A 29 -0.167 9.435 6.855 1.00 11.44 H new ATOM 0 HG SER A 29 -1.149 9.671 8.942 1.00 33.33 H new ATOM 425 N GLU A 30 0.246 7.066 5.605 1.00 53.52 N ATOM 426 CA GLU A 30 -0.509 6.058 4.874 1.00 23.43 C ATOM 427 C GLU A 30 0.340 4.807 4.667 1.00 4.30 C ATOM 428 O GLU A 30 -0.156 3.682 4.733 1.00 71.33 O ATOM 429 CB GLU A 30 -0.969 6.632 3.533 1.00 1.43 C ATOM 430 CG GLU A 30 -2.168 5.915 2.937 1.00 2.40 C ATOM 431 CD GLU A 30 -2.845 6.717 1.841 1.00 21.34 C ATOM 432 OE1 GLU A 30 -3.724 7.547 2.163 1.00 30.41 O ATOM 433 OE2 GLU A 30 -2.510 6.528 0.655 1.00 71.22 O ATOM 0 H GLU A 30 0.468 7.901 5.062 1.00 53.52 H new ATOM 0 HA GLU A 30 -1.388 5.777 5.454 1.00 23.43 H new ATOM 0 HB2 GLU A 30 -1.216 7.685 3.665 1.00 1.43 H new ATOM 0 HB3 GLU A 30 -0.141 6.585 2.825 1.00 1.43 H new ATOM 0 HG2 GLU A 30 -1.848 4.954 2.534 1.00 2.40 H new ATOM 0 HG3 GLU A 30 -2.890 5.705 3.726 1.00 2.40 H new ATOM 440 N LEU A 31 1.630 5.022 4.430 1.00 64.33 N ATOM 441 CA LEU A 31 2.593 3.929 4.314 1.00 64.24 C ATOM 442 C LEU A 31 2.610 3.103 5.589 1.00 45.00 C ATOM 443 O LEU A 31 2.490 1.879 5.555 1.00 24.53 O ATOM 444 CB LEU A 31 3.996 4.479 4.057 1.00 51.15 C ATOM 445 CG LEU A 31 5.069 3.426 3.776 1.00 0.40 C ATOM 446 CD1 LEU A 31 4.755 2.667 2.498 1.00 62.52 C ATOM 447 CD2 LEU A 31 6.439 4.077 3.690 1.00 33.32 C ATOM 0 H LEU A 31 2.036 5.950 4.314 1.00 64.33 H new ATOM 0 HA LEU A 31 2.292 3.300 3.477 1.00 64.24 H new ATOM 0 HB2 LEU A 31 3.951 5.163 3.210 1.00 51.15 H new ATOM 0 HB3 LEU A 31 4.303 5.065 4.923 1.00 51.15 H new ATOM 0 HG LEU A 31 5.077 2.713 4.601 1.00 0.40 H new ATOM 0 HD11 LEU A 31 5.531 1.923 2.317 1.00 62.52 H new ATOM 0 HD12 LEU A 31 3.791 2.169 2.598 1.00 62.52 H new ATOM 0 HD13 LEU A 31 4.718 3.364 1.661 1.00 62.52 H new ATOM 0 HD21 LEU A 31 7.192 3.315 3.490 1.00 33.32 H new ATOM 0 HD22 LEU A 31 6.443 4.812 2.885 1.00 33.32 H new ATOM 0 HD23 LEU A 31 6.666 4.572 4.634 1.00 33.32 H new ATOM 459 N ALA A 32 2.754 3.793 6.711 1.00 42.31 N ATOM 460 CA ALA A 32 2.778 3.154 8.023 1.00 71.33 C ATOM 461 C ALA A 32 1.539 2.291 8.245 1.00 12.03 C ATOM 462 O ALA A 32 1.630 1.188 8.786 1.00 1.22 O ATOM 463 CB ALA A 32 2.896 4.201 9.121 1.00 43.45 C ATOM 0 H ALA A 32 2.857 4.807 6.740 1.00 42.31 H new ATOM 0 HA ALA A 32 3.651 2.502 8.060 1.00 71.33 H new ATOM 0 HB1 ALA A 32 2.913 3.708 10.093 1.00 43.45 H new ATOM 0 HB2 ALA A 32 3.817 4.768 8.986 1.00 43.45 H new ATOM 0 HB3 ALA A 32 2.043 4.878 9.072 1.00 43.45 H new ATOM 469 N LYS A 33 0.384 2.790 7.812 1.00 12.33 N ATOM 470 CA LYS A 33 -0.862 2.055 7.938 1.00 64.14 C ATOM 471 C LYS A 33 -0.840 0.802 7.074 1.00 30.31 C ATOM 472 O LYS A 33 -1.285 -0.266 7.496 1.00 15.30 O ATOM 473 CB LYS A 33 -2.036 2.950 7.544 1.00 54.41 C ATOM 474 CG LYS A 33 -2.238 4.134 8.476 1.00 50.04 C ATOM 475 CD LYS A 33 -2.409 3.674 9.911 1.00 11.52 C ATOM 476 CE LYS A 33 -2.634 4.845 10.848 1.00 74.14 C ATOM 477 NZ LYS A 33 -2.719 4.405 12.264 1.00 64.42 N ATOM 0 H LYS A 33 0.290 3.704 7.370 1.00 12.33 H new ATOM 0 HA LYS A 33 -0.981 1.749 8.977 1.00 64.14 H new ATOM 0 HB2 LYS A 33 -1.877 3.319 6.531 1.00 54.41 H new ATOM 0 HB3 LYS A 33 -2.948 2.353 7.526 1.00 54.41 H new ATOM 0 HG2 LYS A 33 -1.383 4.807 8.406 1.00 50.04 H new ATOM 0 HG3 LYS A 33 -3.116 4.700 8.165 1.00 50.04 H new ATOM 0 HD2 LYS A 33 -3.253 2.988 9.976 1.00 11.52 H new ATOM 0 HD3 LYS A 33 -1.524 3.121 10.225 1.00 11.52 H new ATOM 0 HE2 LYS A 33 -1.820 5.561 10.737 1.00 74.14 H new ATOM 0 HE3 LYS A 33 -3.553 5.362 10.571 1.00 74.14 H new ATOM 0 HZ1 LYS A 33 -2.873 5.232 12.876 1.00 64.42 H new ATOM 0 HZ2 LYS A 33 -3.511 3.740 12.374 1.00 64.42 H new ATOM 0 HZ3 LYS A 33 -1.832 3.934 12.535 1.00 64.42 H new ATOM 491 N TYR A 34 -0.308 0.945 5.870 1.00 22.52 N ATOM 492 CA TYR A 34 -0.171 -0.173 4.946 1.00 23.34 C ATOM 493 C TYR A 34 0.742 -1.245 5.534 1.00 41.44 C ATOM 494 O TYR A 34 0.461 -2.440 5.436 1.00 21.20 O ATOM 495 CB TYR A 34 0.393 0.320 3.611 1.00 45.42 C ATOM 496 CG TYR A 34 -0.532 0.101 2.436 1.00 55.34 C ATOM 497 CD1 TYR A 34 -1.609 0.947 2.200 1.00 44.14 C ATOM 498 CD2 TYR A 34 -0.321 -0.952 1.557 1.00 62.12 C ATOM 499 CE1 TYR A 34 -2.455 0.743 1.125 1.00 51.12 C ATOM 500 CE2 TYR A 34 -1.161 -1.162 0.481 1.00 61.52 C ATOM 501 CZ TYR A 34 -2.224 -0.311 0.266 1.00 15.22 C ATOM 502 OH TYR A 34 -3.062 -0.527 -0.805 1.00 43.51 O ATOM 0 H TYR A 34 0.039 1.833 5.506 1.00 22.52 H new ATOM 0 HA TYR A 34 -1.156 -0.610 4.780 1.00 23.34 H new ATOM 0 HB2 TYR A 34 0.615 1.384 3.693 1.00 45.42 H new ATOM 0 HB3 TYR A 34 1.337 -0.189 3.417 1.00 45.42 H new ATOM 0 HD1 TYR A 34 -1.788 1.777 2.867 1.00 44.14 H new ATOM 0 HD2 TYR A 34 0.514 -1.618 1.717 1.00 62.12 H new ATOM 0 HE1 TYR A 34 -3.292 1.405 0.959 1.00 51.12 H new ATOM 0 HE2 TYR A 34 -0.986 -1.990 -0.190 1.00 61.52 H new ATOM 0 HH TYR A 34 -3.342 0.334 -1.180 1.00 43.51 H new ATOM 512 N ILE A 35 1.831 -0.808 6.154 1.00 62.44 N ATOM 513 CA ILE A 35 2.778 -1.721 6.784 1.00 23.43 C ATOM 514 C ILE A 35 2.133 -2.438 7.969 1.00 53.44 C ATOM 515 O ILE A 35 2.328 -3.641 8.165 1.00 44.54 O ATOM 516 CB ILE A 35 4.049 -0.979 7.259 1.00 75.43 C ATOM 517 CG1 ILE A 35 4.751 -0.307 6.072 1.00 22.22 C ATOM 518 CG2 ILE A 35 5.001 -1.938 7.968 1.00 24.22 C ATOM 519 CD1 ILE A 35 5.980 0.492 6.462 1.00 1.42 C ATOM 0 H ILE A 35 2.081 0.177 6.234 1.00 62.44 H new ATOM 0 HA ILE A 35 3.066 -2.456 6.032 1.00 23.43 H new ATOM 0 HB ILE A 35 3.750 -0.207 7.969 1.00 75.43 H new ATOM 0 HG12 ILE A 35 5.040 -1.072 5.352 1.00 22.22 H new ATOM 0 HG13 ILE A 35 4.044 0.353 5.570 1.00 22.22 H new ATOM 0 HG21 ILE A 35 5.888 -1.395 8.294 1.00 24.22 H new ATOM 0 HG22 ILE A 35 4.502 -2.371 8.835 1.00 24.22 H new ATOM 0 HG23 ILE A 35 5.294 -2.733 7.282 1.00 24.22 H new ATOM 0 HD11 ILE A 35 6.422 0.937 5.571 1.00 1.42 H new ATOM 0 HD12 ILE A 35 5.695 1.281 7.159 1.00 1.42 H new ATOM 0 HD13 ILE A 35 6.707 -0.167 6.937 1.00 1.42 H new ATOM 531 N GLU A 36 1.356 -1.698 8.752 1.00 41.54 N ATOM 532 CA GLU A 36 0.683 -2.249 9.899 1.00 32.23 C ATOM 533 C GLU A 36 -0.347 -3.291 9.474 1.00 21.04 C ATOM 534 O GLU A 36 -0.530 -4.309 10.144 1.00 53.55 O ATOM 535 CB GLU A 36 0.019 -1.122 10.686 1.00 70.04 C ATOM 536 CG GLU A 36 -0.557 -1.582 11.999 1.00 62.00 C ATOM 537 CD GLU A 36 -1.269 -0.482 12.760 1.00 1.23 C ATOM 538 OE1 GLU A 36 -2.489 -0.307 12.561 1.00 11.43 O ATOM 539 OE2 GLU A 36 -0.618 0.208 13.573 1.00 64.41 O ATOM 0 H GLU A 36 1.182 -0.704 8.602 1.00 41.54 H new ATOM 0 HA GLU A 36 1.414 -2.747 10.536 1.00 32.23 H new ATOM 0 HB2 GLU A 36 0.751 -0.336 10.872 1.00 70.04 H new ATOM 0 HB3 GLU A 36 -0.774 -0.682 10.081 1.00 70.04 H new ATOM 0 HG2 GLU A 36 -1.256 -2.398 11.815 1.00 62.00 H new ATOM 0 HG3 GLU A 36 0.245 -1.983 12.619 1.00 62.00 H new ATOM 546 N LEU A 37 -1.016 -3.031 8.361 1.00 52.31 N ATOM 547 CA LEU A 37 -1.959 -3.982 7.796 1.00 23.24 C ATOM 548 C LEU A 37 -1.216 -5.240 7.343 1.00 61.21 C ATOM 549 O LEU A 37 -1.691 -6.360 7.530 1.00 25.13 O ATOM 550 CB LEU A 37 -2.690 -3.342 6.611 1.00 2.02 C ATOM 551 CG LEU A 37 -4.171 -3.704 6.465 1.00 14.32 C ATOM 552 CD1 LEU A 37 -4.785 -2.963 5.289 1.00 24.32 C ATOM 553 CD2 LEU A 37 -4.359 -5.203 6.295 1.00 60.22 C ATOM 0 H LEU A 37 -0.922 -2.165 7.830 1.00 52.31 H new ATOM 0 HA LEU A 37 -2.691 -4.260 8.554 1.00 23.24 H new ATOM 0 HB2 LEU A 37 -2.608 -2.259 6.700 1.00 2.02 H new ATOM 0 HB3 LEU A 37 -2.174 -3.627 5.694 1.00 2.02 H new ATOM 0 HG LEU A 37 -4.680 -3.401 7.380 1.00 14.32 H new ATOM 0 HD11 LEU A 37 -5.838 -3.232 5.199 1.00 24.32 H new ATOM 0 HD12 LEU A 37 -4.697 -1.889 5.450 1.00 24.32 H new ATOM 0 HD13 LEU A 37 -4.261 -3.237 4.373 1.00 24.32 H new ATOM 0 HD21 LEU A 37 -5.421 -5.427 6.194 1.00 60.22 H new ATOM 0 HD22 LEU A 37 -3.831 -5.537 5.402 1.00 60.22 H new ATOM 0 HD23 LEU A 37 -3.960 -5.721 7.167 1.00 60.22 H new ATOM 565 N ALA A 38 -0.029 -5.042 6.781 1.00 1.20 N ATOM 566 CA ALA A 38 0.750 -6.137 6.221 1.00 32.03 C ATOM 567 C ALA A 38 1.218 -7.098 7.304 1.00 23.14 C ATOM 568 O ALA A 38 0.974 -8.299 7.222 1.00 34.45 O ATOM 569 CB ALA A 38 1.941 -5.600 5.440 1.00 42.13 C ATOM 0 H ALA A 38 0.416 -4.128 6.702 1.00 1.20 H new ATOM 0 HA ALA A 38 0.102 -6.689 5.540 1.00 32.03 H new ATOM 0 HB1 ALA A 38 2.512 -6.433 5.029 1.00 42.13 H new ATOM 0 HB2 ALA A 38 1.587 -4.966 4.627 1.00 42.13 H new ATOM 0 HB3 ALA A 38 2.578 -5.016 6.104 1.00 42.13 H new ATOM 575 N LYS A 39 1.871 -6.558 8.329 1.00 34.34 N ATOM 576 CA LYS A 39 2.421 -7.373 9.407 1.00 53.43 C ATOM 577 C LYS A 39 1.323 -8.004 10.257 1.00 20.01 C ATOM 578 O LYS A 39 1.558 -8.993 10.948 1.00 42.02 O ATOM 579 CB LYS A 39 3.358 -6.545 10.281 1.00 3.22 C ATOM 580 CG LYS A 39 4.672 -6.203 9.600 1.00 12.12 C ATOM 581 CD LYS A 39 5.604 -5.440 10.526 1.00 65.12 C ATOM 582 CE LYS A 39 6.955 -5.196 9.875 1.00 30.35 C ATOM 583 NZ LYS A 39 7.679 -6.465 9.599 1.00 2.53 N ATOM 0 H LYS A 39 2.032 -5.556 8.436 1.00 34.34 H new ATOM 0 HA LYS A 39 2.989 -8.182 8.947 1.00 53.43 H new ATOM 0 HB2 LYS A 39 2.855 -5.622 10.568 1.00 3.22 H new ATOM 0 HB3 LYS A 39 3.565 -7.093 11.200 1.00 3.22 H new ATOM 0 HG2 LYS A 39 5.159 -7.120 9.268 1.00 12.12 H new ATOM 0 HG3 LYS A 39 4.476 -5.606 8.709 1.00 12.12 H new ATOM 0 HD2 LYS A 39 5.151 -4.486 10.796 1.00 65.12 H new ATOM 0 HD3 LYS A 39 5.740 -6.001 11.451 1.00 65.12 H new ATOM 0 HE2 LYS A 39 6.814 -4.649 8.943 1.00 30.35 H new ATOM 0 HE3 LYS A 39 7.562 -4.567 10.525 1.00 30.35 H new ATOM 0 HZ1 LYS A 39 8.638 -6.412 9.999 1.00 2.53 H new ATOM 0 HZ2 LYS A 39 7.166 -7.259 10.033 1.00 2.53 H new ATOM 0 HZ3 LYS A 39 7.740 -6.613 8.571 1.00 2.53 H new ATOM 597 N SER A 40 0.129 -7.427 10.218 1.00 53.33 N ATOM 598 CA SER A 40 -1.000 -7.984 10.946 1.00 72.15 C ATOM 599 C SER A 40 -1.467 -9.288 10.295 1.00 71.44 C ATOM 600 O SER A 40 -2.131 -10.107 10.927 1.00 22.22 O ATOM 601 CB SER A 40 -2.149 -6.975 11.000 1.00 13.10 C ATOM 602 OG SER A 40 -3.190 -7.433 11.850 1.00 11.31 O ATOM 0 H SER A 40 -0.081 -6.578 9.693 1.00 53.33 H new ATOM 0 HA SER A 40 -0.680 -8.202 11.965 1.00 72.15 H new ATOM 0 HB2 SER A 40 -1.778 -6.015 11.359 1.00 13.10 H new ATOM 0 HB3 SER A 40 -2.540 -6.810 9.996 1.00 13.10 H new ATOM 0 HG SER A 40 -3.912 -6.771 11.869 1.00 11.31 H new ATOM 608 N VAL A 41 -1.120 -9.464 9.028 1.00 32.43 N ATOM 609 CA VAL A 41 -1.437 -10.689 8.310 1.00 11.01 C ATOM 610 C VAL A 41 -0.187 -11.550 8.192 1.00 71.31 C ATOM 611 O VAL A 41 -0.181 -12.719 8.576 1.00 34.11 O ATOM 612 CB VAL A 41 -1.995 -10.392 6.899 1.00 72.22 C ATOM 613 CG1 VAL A 41 -2.353 -11.680 6.173 1.00 3.32 C ATOM 614 CG2 VAL A 41 -3.206 -9.472 6.984 1.00 3.12 C ATOM 0 H VAL A 41 -0.617 -8.770 8.475 1.00 32.43 H new ATOM 0 HA VAL A 41 -2.205 -11.220 8.873 1.00 11.01 H new ATOM 0 HB VAL A 41 -1.216 -9.886 6.328 1.00 72.22 H new ATOM 0 HG11 VAL A 41 -2.743 -11.443 5.183 1.00 3.32 H new ATOM 0 HG12 VAL A 41 -1.463 -12.301 6.073 1.00 3.32 H new ATOM 0 HG13 VAL A 41 -3.110 -12.220 6.742 1.00 3.32 H new ATOM 0 HG21 VAL A 41 -3.584 -9.275 5.981 1.00 3.12 H new ATOM 0 HG22 VAL A 41 -3.985 -9.950 7.578 1.00 3.12 H new ATOM 0 HG23 VAL A 41 -2.917 -8.532 7.454 1.00 3.12 H new ATOM 624 N CYS A 42 0.877 -10.949 7.685 1.00 74.31 N ATOM 625 CA CYS A 42 2.147 -11.629 7.530 1.00 44.43 C ATOM 626 C CYS A 42 3.221 -10.866 8.298 1.00 12.05 C ATOM 627 O CYS A 42 3.704 -9.829 7.844 1.00 53.22 O ATOM 628 CB CYS A 42 2.509 -11.722 6.046 1.00 31.03 C ATOM 629 SG CYS A 42 3.953 -12.748 5.682 1.00 24.15 S ATOM 0 H CYS A 42 0.882 -9.979 7.371 1.00 74.31 H new ATOM 0 HA CYS A 42 2.075 -12.641 7.930 1.00 44.43 H new ATOM 0 HB2 CYS A 42 1.652 -12.119 5.501 1.00 31.03 H new ATOM 0 HB3 CYS A 42 2.690 -10.716 5.667 1.00 31.03 H new ATOM 0 HG CYS A 42 3.668 -13.573 4.718 1.00 24.15 H new ATOM 635 N ALA A 43 3.565 -11.361 9.481 1.00 33.15 N ATOM 636 CA ALA A 43 4.525 -10.687 10.349 1.00 51.41 C ATOM 637 C ALA A 43 5.883 -10.542 9.672 1.00 24.51 C ATOM 638 O ALA A 43 6.482 -9.464 9.678 1.00 72.21 O ATOM 639 CB ALA A 43 4.664 -11.443 11.663 1.00 73.42 C ATOM 0 H ALA A 43 3.192 -12.230 9.863 1.00 33.15 H new ATOM 0 HA ALA A 43 4.148 -9.685 10.553 1.00 51.41 H new ATOM 0 HB1 ALA A 43 5.383 -10.931 12.303 1.00 73.42 H new ATOM 0 HB2 ALA A 43 3.697 -11.483 12.164 1.00 73.42 H new ATOM 0 HB3 ALA A 43 5.012 -12.457 11.465 1.00 73.42 H new ATOM 645 N GLY A 44 6.348 -11.622 9.062 1.00 65.44 N ATOM 646 CA GLY A 44 7.653 -11.620 8.437 1.00 72.54 C ATOM 647 C GLY A 44 7.611 -11.161 6.993 1.00 52.32 C ATOM 648 O GLY A 44 8.301 -11.715 6.137 1.00 34.13 O ATOM 0 H GLY A 44 5.841 -12.504 8.989 1.00 65.44 H new ATOM 0 HA2 GLY A 44 8.320 -10.969 9.001 1.00 72.54 H new ATOM 0 HA3 GLY A 44 8.074 -12.624 8.482 1.00 72.54 H new ATOM 652 N VAL A 45 6.797 -10.153 6.721 1.00 22.21 N ATOM 653 CA VAL A 45 6.718 -9.584 5.390 1.00 71.40 C ATOM 654 C VAL A 45 7.927 -8.690 5.125 1.00 10.41 C ATOM 655 O VAL A 45 8.262 -7.818 5.929 1.00 53.41 O ATOM 656 CB VAL A 45 5.402 -8.788 5.186 1.00 3.14 C ATOM 657 CG1 VAL A 45 5.285 -7.640 6.179 1.00 21.21 C ATOM 658 CG2 VAL A 45 5.291 -8.274 3.758 1.00 65.44 C ATOM 0 H VAL A 45 6.182 -9.714 7.406 1.00 22.21 H new ATOM 0 HA VAL A 45 6.720 -10.407 4.675 1.00 71.40 H new ATOM 0 HB VAL A 45 4.575 -9.474 5.369 1.00 3.14 H new ATOM 0 HG11 VAL A 45 4.352 -7.104 6.007 1.00 21.21 H new ATOM 0 HG12 VAL A 45 5.295 -8.035 7.195 1.00 21.21 H new ATOM 0 HG13 VAL A 45 6.125 -6.958 6.047 1.00 21.21 H new ATOM 0 HG21 VAL A 45 4.360 -7.720 3.642 1.00 65.44 H new ATOM 0 HG22 VAL A 45 6.133 -7.617 3.541 1.00 65.44 H new ATOM 0 HG23 VAL A 45 5.300 -9.116 3.066 1.00 65.44 H new ATOM 668 N GLU A 46 8.607 -8.940 4.020 1.00 23.43 N ATOM 669 CA GLU A 46 9.729 -8.110 3.617 1.00 13.34 C ATOM 670 C GLU A 46 9.233 -6.990 2.724 1.00 31.44 C ATOM 671 O GLU A 46 8.299 -7.185 1.951 1.00 4.32 O ATOM 672 CB GLU A 46 10.783 -8.944 2.888 1.00 43.44 C ATOM 673 CG GLU A 46 11.531 -9.893 3.804 1.00 53.12 C ATOM 674 CD GLU A 46 12.216 -9.159 4.933 1.00 54.52 C ATOM 675 OE1 GLU A 46 13.201 -8.440 4.667 1.00 50.02 O ATOM 676 OE2 GLU A 46 11.768 -9.283 6.088 1.00 61.11 O ATOM 0 H GLU A 46 8.402 -9.712 3.385 1.00 23.43 H new ATOM 0 HA GLU A 46 10.192 -7.683 4.507 1.00 13.34 H new ATOM 0 HB2 GLU A 46 10.300 -9.518 2.097 1.00 43.44 H new ATOM 0 HB3 GLU A 46 11.497 -8.276 2.406 1.00 43.44 H new ATOM 0 HG2 GLU A 46 10.836 -10.625 4.215 1.00 53.12 H new ATOM 0 HG3 GLU A 46 12.272 -10.446 3.227 1.00 53.12 H new ATOM 683 N TYR A 47 9.835 -5.818 2.821 1.00 74.35 N ATOM 684 CA TYR A 47 9.364 -4.692 2.039 1.00 21.00 C ATOM 685 C TYR A 47 10.506 -3.876 1.475 1.00 43.33 C ATOM 686 O TYR A 47 11.619 -3.862 2.007 1.00 44.35 O ATOM 687 CB TYR A 47 8.459 -3.784 2.877 1.00 50.01 C ATOM 688 CG TYR A 47 9.196 -3.001 3.945 1.00 13.04 C ATOM 689 CD1 TYR A 47 9.573 -3.596 5.143 1.00 35.22 C ATOM 690 CD2 TYR A 47 9.518 -1.665 3.747 1.00 54.51 C ATOM 691 CE1 TYR A 47 10.254 -2.880 6.111 1.00 51.22 C ATOM 692 CE2 TYR A 47 10.195 -0.941 4.709 1.00 45.34 C ATOM 693 CZ TYR A 47 10.562 -1.552 5.889 1.00 43.11 C ATOM 694 OH TYR A 47 11.242 -0.834 6.849 1.00 40.54 O ATOM 0 H TYR A 47 10.636 -5.624 3.422 1.00 74.35 H new ATOM 0 HA TYR A 47 8.794 -5.106 1.207 1.00 21.00 H new ATOM 0 HB2 TYR A 47 7.949 -3.085 2.215 1.00 50.01 H new ATOM 0 HB3 TYR A 47 7.690 -4.393 3.352 1.00 50.01 H new ATOM 0 HD1 TYR A 47 9.331 -4.633 5.321 1.00 35.22 H new ATOM 0 HD2 TYR A 47 9.234 -1.183 2.823 1.00 54.51 H new ATOM 0 HE1 TYR A 47 10.543 -3.357 7.036 1.00 51.22 H new ATOM 0 HE2 TYR A 47 10.435 0.098 4.538 1.00 45.34 H new ATOM 0 HH TYR A 47 11.380 0.084 6.535 1.00 40.54 H new ATOM 704 N ASN A 48 10.204 -3.208 0.384 1.00 10.44 N ATOM 705 CA ASN A 48 11.075 -2.190 -0.172 1.00 13.40 C ATOM 706 C ASN A 48 10.293 -0.902 -0.279 1.00 40.44 C ATOM 707 O ASN A 48 9.065 -0.906 -0.187 1.00 2.42 O ATOM 708 CB ASN A 48 11.610 -2.556 -1.559 1.00 51.13 C ATOM 709 CG ASN A 48 12.511 -3.777 -1.569 1.00 53.13 C ATOM 710 OD1 ASN A 48 12.598 -4.486 -2.573 1.00 13.53 O ATOM 711 ND2 ASN A 48 13.192 -4.028 -0.464 1.00 2.33 N ATOM 0 H ASN A 48 9.345 -3.354 -0.146 1.00 10.44 H new ATOM 0 HA ASN A 48 11.934 -2.091 0.491 1.00 13.40 H new ATOM 0 HB2 ASN A 48 10.767 -2.733 -2.227 1.00 51.13 H new ATOM 0 HB3 ASN A 48 12.162 -1.706 -1.960 1.00 51.13 H new ATOM 0 HD21 ASN A 48 13.817 -4.833 -0.422 1.00 2.33 H new ATOM 0 HD22 ASN A 48 13.092 -3.417 0.346 1.00 2.33 H new ATOM 718 N VAL A 49 10.995 0.180 -0.504 1.00 43.11 N ATOM 719 CA VAL A 49 10.369 1.484 -0.567 1.00 62.13 C ATOM 720 C VAL A 49 11.269 2.463 -1.306 1.00 24.31 C ATOM 721 O VAL A 49 12.496 2.394 -1.202 1.00 13.14 O ATOM 722 CB VAL A 49 10.045 2.014 0.854 1.00 0.31 C ATOM 723 CG1 VAL A 49 11.314 2.189 1.675 1.00 74.14 C ATOM 724 CG2 VAL A 49 9.258 3.315 0.789 1.00 2.32 C ATOM 0 H VAL A 49 12.005 0.187 -0.648 1.00 43.11 H new ATOM 0 HA VAL A 49 9.431 1.387 -1.113 1.00 62.13 H new ATOM 0 HB VAL A 49 9.422 1.270 1.351 1.00 0.31 H new ATOM 0 HG11 VAL A 49 11.057 2.562 2.667 1.00 74.14 H new ATOM 0 HG12 VAL A 49 11.822 1.229 1.768 1.00 74.14 H new ATOM 0 HG13 VAL A 49 11.973 2.902 1.179 1.00 74.14 H new ATOM 0 HG21 VAL A 49 9.045 3.662 1.800 1.00 2.32 H new ATOM 0 HG22 VAL A 49 9.843 4.068 0.262 1.00 2.32 H new ATOM 0 HG23 VAL A 49 8.321 3.147 0.258 1.00 2.32 H new ATOM 734 N SER A 50 10.658 3.341 -2.083 1.00 12.33 N ATOM 735 CA SER A 50 11.393 4.372 -2.790 1.00 14.42 C ATOM 736 C SER A 50 11.936 5.400 -1.801 1.00 15.11 C ATOM 737 O SER A 50 11.498 5.461 -0.649 1.00 1.21 O ATOM 738 CB SER A 50 10.473 5.058 -3.798 1.00 65.42 C ATOM 739 OG SER A 50 9.557 4.133 -4.368 1.00 14.41 O ATOM 0 H SER A 50 9.650 3.359 -2.240 1.00 12.33 H new ATOM 0 HA SER A 50 12.230 3.915 -3.318 1.00 14.42 H new ATOM 0 HB2 SER A 50 9.924 5.861 -3.306 1.00 65.42 H new ATOM 0 HB3 SER A 50 11.070 5.516 -4.587 1.00 65.42 H new ATOM 0 HG SER A 50 9.329 4.417 -5.278 1.00 14.41 H new ATOM 745 N GLU A 51 12.889 6.198 -2.239 1.00 14.31 N ATOM 746 CA GLU A 51 13.421 7.255 -1.397 1.00 35.11 C ATOM 747 C GLU A 51 12.667 8.549 -1.662 1.00 21.22 C ATOM 748 O GLU A 51 12.452 8.936 -2.812 1.00 60.22 O ATOM 749 CB GLU A 51 14.933 7.443 -1.588 1.00 43.14 C ATOM 750 CG GLU A 51 15.401 7.465 -3.035 1.00 54.21 C ATOM 751 CD GLU A 51 15.486 6.080 -3.644 1.00 25.02 C ATOM 752 OE1 GLU A 51 16.443 5.342 -3.325 1.00 75.30 O ATOM 753 OE2 GLU A 51 14.587 5.712 -4.426 1.00 61.23 O ATOM 0 H GLU A 51 13.310 6.137 -3.166 1.00 14.31 H new ATOM 0 HA GLU A 51 13.276 6.964 -0.357 1.00 35.11 H new ATOM 0 HB2 GLU A 51 15.231 8.377 -1.112 1.00 43.14 H new ATOM 0 HB3 GLU A 51 15.452 6.639 -1.066 1.00 43.14 H new ATOM 0 HG2 GLU A 51 14.717 8.075 -3.625 1.00 54.21 H new ATOM 0 HG3 GLU A 51 16.380 7.942 -3.089 1.00 54.21 H new ATOM 760 N LEU A 52 12.262 9.206 -0.590 1.00 33.22 N ATOM 761 CA LEU A 52 11.375 10.352 -0.679 1.00 62.15 C ATOM 762 C LEU A 52 12.164 11.641 -0.861 1.00 50.41 C ATOM 763 O LEU A 52 12.994 11.999 -0.026 1.00 3.23 O ATOM 764 CB LEU A 52 10.494 10.449 0.572 1.00 52.45 C ATOM 765 CG LEU A 52 9.491 9.305 0.782 1.00 3.14 C ATOM 766 CD1 LEU A 52 10.170 8.068 1.351 1.00 22.31 C ATOM 767 CD2 LEU A 52 8.354 9.751 1.688 1.00 2.21 C ATOM 0 H LEU A 52 12.537 8.962 0.362 1.00 33.22 H new ATOM 0 HA LEU A 52 10.736 10.213 -1.551 1.00 62.15 H new ATOM 0 HB2 LEU A 52 11.143 10.501 1.446 1.00 52.45 H new ATOM 0 HB3 LEU A 52 9.941 11.387 0.530 1.00 52.45 H new ATOM 0 HG LEU A 52 9.080 9.042 -0.192 1.00 3.14 H new ATOM 0 HD11 LEU A 52 9.432 7.278 1.487 1.00 22.31 H new ATOM 0 HD12 LEU A 52 10.943 7.728 0.662 1.00 22.31 H new ATOM 0 HD13 LEU A 52 10.623 8.311 2.312 1.00 22.31 H new ATOM 0 HD21 LEU A 52 7.654 8.927 1.825 1.00 2.21 H new ATOM 0 HD22 LEU A 52 8.756 10.050 2.656 1.00 2.21 H new ATOM 0 HD23 LEU A 52 7.836 10.596 1.233 1.00 2.21 H new ATOM 779 N THR A 53 11.899 12.329 -1.960 1.00 1.13 N ATOM 780 CA THR A 53 12.550 13.591 -2.266 1.00 62.13 C ATOM 781 C THR A 53 11.735 14.777 -1.750 1.00 4.01 C ATOM 782 O THR A 53 10.851 14.615 -0.907 1.00 22.24 O ATOM 783 CB THR A 53 12.762 13.719 -3.785 1.00 31.22 C ATOM 784 OG1 THR A 53 11.659 13.120 -4.479 1.00 43.44 O ATOM 785 CG2 THR A 53 14.065 13.058 -4.208 1.00 31.55 C ATOM 0 H THR A 53 11.226 12.027 -2.665 1.00 1.13 H new ATOM 0 HA THR A 53 13.517 13.602 -1.763 1.00 62.13 H new ATOM 0 HB THR A 53 12.819 14.777 -4.040 1.00 31.22 H new ATOM 0 HG1 THR A 53 11.796 13.205 -5.446 1.00 43.44 H new ATOM 0 HG21 THR A 53 14.192 13.162 -5.286 1.00 31.55 H new ATOM 0 HG22 THR A 53 14.899 13.538 -3.696 1.00 31.55 H new ATOM 0 HG23 THR A 53 14.038 12.000 -3.946 1.00 31.55 H new ATOM 793 N GLU A 54 12.059 15.966 -2.240 1.00 42.11 N ATOM 794 CA GLU A 54 11.356 17.177 -1.874 1.00 52.21 C ATOM 795 C GLU A 54 9.874 17.069 -2.227 1.00 14.35 C ATOM 796 O GLU A 54 9.007 17.214 -1.364 1.00 33.12 O ATOM 797 CB GLU A 54 11.978 18.377 -2.590 1.00 24.34 C ATOM 798 CG GLU A 54 13.488 18.484 -2.424 1.00 12.25 C ATOM 799 CD GLU A 54 14.269 17.815 -3.544 1.00 24.35 C ATOM 800 OE1 GLU A 54 13.830 16.758 -4.046 1.00 65.13 O ATOM 801 OE2 GLU A 54 15.325 18.357 -3.936 1.00 25.42 O ATOM 0 H GLU A 54 12.819 16.113 -2.904 1.00 42.11 H new ATOM 0 HA GLU A 54 11.444 17.316 -0.797 1.00 52.21 H new ATOM 0 HB2 GLU A 54 11.743 18.314 -3.653 1.00 24.34 H new ATOM 0 HB3 GLU A 54 11.516 19.290 -2.215 1.00 24.34 H new ATOM 0 HG2 GLU A 54 13.767 19.537 -2.376 1.00 12.25 H new ATOM 0 HG3 GLU A 54 13.774 18.034 -1.473 1.00 12.25 H new ATOM 808 N GLU A 55 9.587 16.794 -3.494 1.00 2.43 N ATOM 809 CA GLU A 55 8.209 16.669 -3.950 1.00 70.53 C ATOM 810 C GLU A 55 7.804 15.214 -4.137 1.00 54.44 C ATOM 811 O GLU A 55 7.200 14.863 -5.152 1.00 22.34 O ATOM 812 CB GLU A 55 7.987 17.428 -5.261 1.00 14.45 C ATOM 813 CG GLU A 55 7.650 18.897 -5.072 1.00 24.53 C ATOM 814 CD GLU A 55 7.145 19.539 -6.347 1.00 4.45 C ATOM 815 OE1 GLU A 55 5.971 19.308 -6.714 1.00 22.22 O ATOM 816 OE2 GLU A 55 7.920 20.271 -6.995 1.00 4.21 O ATOM 0 H GLU A 55 10.288 16.654 -4.221 1.00 2.43 H new ATOM 0 HA GLU A 55 7.584 17.107 -3.172 1.00 70.53 H new ATOM 0 HB2 GLU A 55 8.885 17.347 -5.873 1.00 14.45 H new ATOM 0 HB3 GLU A 55 7.180 16.948 -5.815 1.00 14.45 H new ATOM 0 HG2 GLU A 55 6.894 18.997 -4.293 1.00 24.53 H new ATOM 0 HG3 GLU A 55 8.536 19.429 -4.726 1.00 24.53 H new ATOM 823 N SER A 56 8.126 14.364 -3.173 1.00 33.04 N ATOM 824 CA SER A 56 7.629 13.002 -3.201 1.00 32.32 C ATOM 825 C SER A 56 6.146 12.990 -2.893 1.00 14.40 C ATOM 826 O SER A 56 5.733 13.048 -1.734 1.00 63.23 O ATOM 827 CB SER A 56 8.374 12.112 -2.217 1.00 43.14 C ATOM 828 OG SER A 56 8.649 12.802 -1.010 1.00 31.11 O ATOM 0 H SER A 56 8.720 14.590 -2.375 1.00 33.04 H new ATOM 0 HA SER A 56 7.798 12.603 -4.201 1.00 32.32 H new ATOM 0 HB2 SER A 56 7.780 11.224 -2.004 1.00 43.14 H new ATOM 0 HB3 SER A 56 9.307 11.771 -2.665 1.00 43.14 H new ATOM 0 HG SER A 56 9.492 13.293 -1.099 1.00 31.11 H new ATOM 834 N LYS A 57 5.356 12.960 -3.940 1.00 64.52 N ATOM 835 CA LYS A 57 3.921 12.906 -3.810 1.00 20.25 C ATOM 836 C LYS A 57 3.446 11.515 -4.179 1.00 70.14 C ATOM 837 O LYS A 57 2.260 11.282 -4.423 1.00 45.22 O ATOM 838 CB LYS A 57 3.286 13.988 -4.686 1.00 0.05 C ATOM 839 CG LYS A 57 3.640 15.392 -4.213 1.00 11.31 C ATOM 840 CD LYS A 57 3.293 16.459 -5.234 1.00 33.02 C ATOM 841 CE LYS A 57 3.622 17.844 -4.698 1.00 0.13 C ATOM 842 NZ LYS A 57 3.420 18.910 -5.713 1.00 41.32 N ATOM 0 H LYS A 57 5.690 12.972 -4.904 1.00 64.52 H new ATOM 0 HA LYS A 57 3.618 13.103 -2.782 1.00 20.25 H new ATOM 0 HB2 LYS A 57 3.617 13.859 -5.717 1.00 0.05 H new ATOM 0 HB3 LYS A 57 2.203 13.867 -4.682 1.00 0.05 H new ATOM 0 HG2 LYS A 57 3.113 15.601 -3.282 1.00 11.31 H new ATOM 0 HG3 LYS A 57 4.707 15.439 -3.993 1.00 11.31 H new ATOM 0 HD2 LYS A 57 3.846 16.280 -6.156 1.00 33.02 H new ATOM 0 HD3 LYS A 57 2.233 16.402 -5.481 1.00 33.02 H new ATOM 0 HE2 LYS A 57 2.998 18.051 -3.829 1.00 0.13 H new ATOM 0 HE3 LYS A 57 4.658 17.862 -4.358 1.00 0.13 H new ATOM 0 HZ1 LYS A 57 3.074 19.772 -5.246 1.00 41.32 H new ATOM 0 HZ2 LYS A 57 4.323 19.112 -6.188 1.00 41.32 H new ATOM 0 HZ3 LYS A 57 2.722 18.592 -6.416 1.00 41.32 H new ATOM 856 N GLU A 58 4.401 10.590 -4.188 1.00 4.54 N ATOM 857 CA GLU A 58 4.134 9.197 -4.501 1.00 21.04 C ATOM 858 C GLU A 58 5.337 8.344 -4.120 1.00 64.53 C ATOM 859 O GLU A 58 6.461 8.845 -4.057 1.00 52.51 O ATOM 860 CB GLU A 58 3.826 9.026 -5.989 1.00 22.41 C ATOM 861 CG GLU A 58 4.913 9.574 -6.895 1.00 35.25 C ATOM 862 CD GLU A 58 4.650 9.304 -8.357 1.00 15.45 C ATOM 863 OE1 GLU A 58 3.570 9.682 -8.854 1.00 71.34 O ATOM 864 OE2 GLU A 58 5.519 8.701 -9.017 1.00 2.34 O ATOM 0 H GLU A 58 5.379 10.788 -3.978 1.00 4.54 H new ATOM 0 HA GLU A 58 3.264 8.873 -3.929 1.00 21.04 H new ATOM 0 HB2 GLU A 58 3.684 7.967 -6.204 1.00 22.41 H new ATOM 0 HB3 GLU A 58 2.885 9.527 -6.218 1.00 22.41 H new ATOM 0 HG2 GLU A 58 5.001 10.649 -6.739 1.00 35.25 H new ATOM 0 HG3 GLU A 58 5.869 9.132 -6.615 1.00 35.25 H new ATOM 871 N LEU A 59 5.092 7.074 -3.842 1.00 51.34 N ATOM 872 CA LEU A 59 6.163 6.130 -3.561 1.00 11.41 C ATOM 873 C LEU A 59 5.669 4.711 -3.789 1.00 65.21 C ATOM 874 O LEU A 59 4.479 4.428 -3.636 1.00 1.13 O ATOM 875 CB LEU A 59 6.694 6.279 -2.124 1.00 21.13 C ATOM 876 CG LEU A 59 5.794 5.744 -0.998 1.00 33.11 C ATOM 877 CD1 LEU A 59 6.543 5.764 0.322 1.00 54.21 C ATOM 878 CD2 LEU A 59 4.509 6.551 -0.875 1.00 12.43 C ATOM 0 H LEU A 59 4.156 6.671 -3.805 1.00 51.34 H new ATOM 0 HA LEU A 59 6.987 6.347 -4.241 1.00 11.41 H new ATOM 0 HB2 LEU A 59 7.656 5.770 -2.062 1.00 21.13 H new ATOM 0 HB3 LEU A 59 6.880 7.337 -1.938 1.00 21.13 H new ATOM 0 HG LEU A 59 5.524 4.718 -1.249 1.00 33.11 H new ATOM 0 HD11 LEU A 59 5.897 5.383 1.113 1.00 54.21 H new ATOM 0 HD12 LEU A 59 7.431 5.137 0.246 1.00 54.21 H new ATOM 0 HD13 LEU A 59 6.840 6.786 0.557 1.00 54.21 H new ATOM 0 HD21 LEU A 59 3.899 6.143 -0.069 1.00 12.43 H new ATOM 0 HD22 LEU A 59 4.752 7.591 -0.656 1.00 12.43 H new ATOM 0 HD23 LEU A 59 3.955 6.498 -1.812 1.00 12.43 H new ATOM 890 N THR A 60 6.572 3.826 -4.165 1.00 2.43 N ATOM 891 CA THR A 60 6.211 2.445 -4.413 1.00 41.14 C ATOM 892 C THR A 60 6.764 1.542 -3.317 1.00 63.21 C ATOM 893 O THR A 60 7.976 1.458 -3.115 1.00 12.55 O ATOM 894 CB THR A 60 6.724 1.968 -5.783 1.00 71.24 C ATOM 895 OG1 THR A 60 6.383 2.928 -6.788 1.00 65.54 O ATOM 896 CG2 THR A 60 6.118 0.619 -6.145 1.00 52.14 C ATOM 0 H THR A 60 7.560 4.039 -4.305 1.00 2.43 H new ATOM 0 HA THR A 60 5.123 2.387 -4.413 1.00 41.14 H new ATOM 0 HB THR A 60 7.807 1.862 -5.727 1.00 71.24 H new ATOM 0 HG1 THR A 60 6.713 2.622 -7.658 1.00 65.54 H new ATOM 0 HG21 THR A 60 6.494 0.300 -7.117 1.00 52.14 H new ATOM 0 HG22 THR A 60 6.393 -0.118 -5.390 1.00 52.14 H new ATOM 0 HG23 THR A 60 5.032 0.707 -6.187 1.00 52.14 H new ATOM 904 N ALA A 61 5.865 0.886 -2.601 1.00 55.25 N ATOM 905 CA ALA A 61 6.249 -0.029 -1.541 1.00 14.42 C ATOM 906 C ALA A 61 6.024 -1.467 -1.983 1.00 2.41 C ATOM 907 O ALA A 61 4.897 -1.863 -2.282 1.00 74.40 O ATOM 908 CB ALA A 61 5.467 0.272 -0.270 1.00 21.34 C ATOM 0 H ALA A 61 4.858 0.972 -2.737 1.00 55.25 H new ATOM 0 HA ALA A 61 7.310 0.106 -1.328 1.00 14.42 H new ATOM 0 HB1 ALA A 61 5.767 -0.423 0.515 1.00 21.34 H new ATOM 0 HB2 ALA A 61 5.673 1.293 0.051 1.00 21.34 H new ATOM 0 HB3 ALA A 61 4.400 0.161 -0.464 1.00 21.34 H new ATOM 914 N ARG A 62 7.096 -2.238 -2.043 1.00 72.13 N ATOM 915 CA ARG A 62 7.017 -3.626 -2.476 1.00 72.51 C ATOM 916 C ARG A 62 7.037 -4.569 -1.285 1.00 0.54 C ATOM 917 O ARG A 62 8.005 -4.606 -0.535 1.00 71.41 O ATOM 918 CB ARG A 62 8.165 -3.951 -3.436 1.00 12.35 C ATOM 919 CG ARG A 62 8.372 -5.441 -3.659 1.00 4.32 C ATOM 920 CD ARG A 62 9.203 -5.714 -4.901 1.00 11.03 C ATOM 921 NE ARG A 62 8.436 -5.477 -6.122 1.00 60.14 N ATOM 922 CZ ARG A 62 8.882 -5.745 -7.345 1.00 72.41 C ATOM 923 NH1 ARG A 62 10.105 -6.222 -7.522 1.00 74.34 N ATOM 924 NH2 ARG A 62 8.097 -5.540 -8.391 1.00 72.22 N ATOM 0 H ARG A 62 8.036 -1.927 -1.797 1.00 72.13 H new ATOM 0 HA ARG A 62 6.072 -3.765 -3.001 1.00 72.51 H new ATOM 0 HB2 ARG A 62 7.971 -3.472 -4.396 1.00 12.35 H new ATOM 0 HB3 ARG A 62 9.087 -3.520 -3.046 1.00 12.35 H new ATOM 0 HG2 ARG A 62 8.865 -5.874 -2.789 1.00 4.32 H new ATOM 0 HG3 ARG A 62 7.404 -5.933 -3.754 1.00 4.32 H new ATOM 0 HD2 ARG A 62 10.087 -5.076 -4.896 1.00 11.03 H new ATOM 0 HD3 ARG A 62 9.554 -6.746 -4.885 1.00 11.03 H new ATOM 0 HE ARG A 62 7.500 -5.081 -6.030 1.00 60.14 H new ATOM 0 HH11 ARG A 62 10.710 -6.386 -6.717 1.00 74.34 H new ATOM 0 HH12 ARG A 62 10.442 -6.426 -8.463 1.00 74.34 H new ATOM 0 HH21 ARG A 62 7.153 -5.177 -8.257 1.00 72.22 H new ATOM 0 HH22 ARG A 62 8.436 -5.745 -9.331 1.00 72.22 H new ATOM 938 N PHE A 63 5.965 -5.326 -1.118 1.00 50.21 N ATOM 939 CA PHE A 63 5.856 -6.271 -0.020 1.00 1.24 C ATOM 940 C PHE A 63 6.018 -7.701 -0.523 1.00 23.20 C ATOM 941 O PHE A 63 5.335 -8.121 -1.459 1.00 20.22 O ATOM 942 CB PHE A 63 4.501 -6.126 0.681 1.00 2.25 C ATOM 943 CG PHE A 63 4.238 -4.751 1.229 1.00 51.15 C ATOM 944 CD1 PHE A 63 4.764 -4.365 2.453 1.00 4.40 C ATOM 945 CD2 PHE A 63 3.460 -3.846 0.523 1.00 45.04 C ATOM 946 CE1 PHE A 63 4.518 -3.103 2.960 1.00 24.32 C ATOM 947 CE2 PHE A 63 3.212 -2.584 1.025 1.00 33.43 C ATOM 948 CZ PHE A 63 3.743 -2.210 2.246 1.00 2.10 C ATOM 0 H PHE A 63 5.152 -5.303 -1.734 1.00 50.21 H new ATOM 0 HA PHE A 63 6.652 -6.053 0.692 1.00 1.24 H new ATOM 0 HB2 PHE A 63 3.710 -6.382 -0.024 1.00 2.25 H new ATOM 0 HB3 PHE A 63 4.447 -6.847 1.497 1.00 2.25 H new ATOM 0 HD1 PHE A 63 5.372 -5.058 3.016 1.00 4.40 H new ATOM 0 HD2 PHE A 63 3.043 -4.132 -0.431 1.00 45.04 H new ATOM 0 HE1 PHE A 63 4.932 -2.815 3.915 1.00 24.32 H new ATOM 0 HE2 PHE A 63 2.604 -1.889 0.465 1.00 33.43 H new ATOM 0 HZ PHE A 63 3.552 -1.223 2.640 1.00 2.10 H new ATOM 958 N LYS A 64 6.933 -8.433 0.087 1.00 35.31 N ATOM 959 CA LYS A 64 7.109 -9.845 -0.206 1.00 34.10 C ATOM 960 C LYS A 64 6.557 -10.676 0.942 1.00 13.13 C ATOM 961 O LYS A 64 7.042 -10.588 2.074 1.00 30.51 O ATOM 962 CB LYS A 64 8.585 -10.190 -0.422 1.00 13.33 C ATOM 963 CG LYS A 64 8.822 -11.678 -0.638 1.00 20.31 C ATOM 964 CD LYS A 64 10.292 -12.043 -0.523 1.00 70.42 C ATOM 965 CE LYS A 64 10.486 -13.552 -0.554 1.00 52.31 C ATOM 966 NZ LYS A 64 11.900 -13.937 -0.308 1.00 14.35 N ATOM 0 H LYS A 64 7.571 -8.069 0.795 1.00 35.31 H new ATOM 0 HA LYS A 64 6.568 -10.071 -1.125 1.00 34.10 H new ATOM 0 HB2 LYS A 64 8.959 -9.639 -1.285 1.00 13.33 H new ATOM 0 HB3 LYS A 64 9.160 -9.858 0.442 1.00 13.33 H new ATOM 0 HG2 LYS A 64 8.249 -12.246 0.095 1.00 20.31 H new ATOM 0 HG3 LYS A 64 8.453 -11.965 -1.623 1.00 20.31 H new ATOM 0 HD2 LYS A 64 10.849 -11.585 -1.341 1.00 70.42 H new ATOM 0 HD3 LYS A 64 10.698 -11.640 0.405 1.00 70.42 H new ATOM 0 HE2 LYS A 64 9.848 -14.015 0.199 1.00 52.31 H new ATOM 0 HE3 LYS A 64 10.168 -13.938 -1.522 1.00 52.31 H new ATOM 0 HZ1 LYS A 64 11.988 -14.973 -0.338 1.00 14.35 H new ATOM 0 HZ2 LYS A 64 12.507 -13.517 -1.041 1.00 14.35 H new ATOM 0 HZ3 LYS A 64 12.196 -13.591 0.627 1.00 14.35 H new ATOM 980 N PHE A 65 5.543 -11.467 0.654 1.00 31.21 N ATOM 981 CA PHE A 65 4.938 -12.312 1.664 1.00 23.14 C ATOM 982 C PHE A 65 5.588 -13.689 1.656 1.00 20.31 C ATOM 983 O PHE A 65 6.440 -13.977 0.813 1.00 43.13 O ATOM 984 CB PHE A 65 3.430 -12.413 1.423 1.00 53.42 C ATOM 985 CG PHE A 65 2.738 -11.080 1.478 1.00 34.43 C ATOM 986 CD1 PHE A 65 2.299 -10.563 2.685 1.00 3.34 C ATOM 987 CD2 PHE A 65 2.538 -10.340 0.325 1.00 64.22 C ATOM 988 CE1 PHE A 65 1.673 -9.333 2.742 1.00 61.32 C ATOM 989 CE2 PHE A 65 1.915 -9.109 0.375 1.00 44.24 C ATOM 990 CZ PHE A 65 1.481 -8.606 1.585 1.00 31.13 C ATOM 0 H PHE A 65 5.120 -11.542 -0.271 1.00 31.21 H new ATOM 0 HA PHE A 65 5.099 -11.869 2.647 1.00 23.14 H new ATOM 0 HB2 PHE A 65 3.253 -12.869 0.449 1.00 53.42 H new ATOM 0 HB3 PHE A 65 2.991 -13.075 2.169 1.00 53.42 H new ATOM 0 HD1 PHE A 65 2.448 -11.128 3.593 1.00 3.34 H new ATOM 0 HD2 PHE A 65 2.873 -10.730 -0.625 1.00 64.22 H new ATOM 0 HE1 PHE A 65 1.335 -8.941 3.690 1.00 61.32 H new ATOM 0 HE2 PHE A 65 1.767 -8.540 -0.531 1.00 44.24 H new ATOM 0 HZ PHE A 65 0.992 -7.644 1.626 1.00 31.13 H new ATOM 1000 N GLU A 66 5.186 -14.533 2.591 1.00 22.21 N ATOM 1001 CA GLU A 66 5.745 -15.862 2.711 1.00 13.53 C ATOM 1002 C GLU A 66 5.122 -16.770 1.665 1.00 44.25 C ATOM 1003 O GLU A 66 5.814 -17.537 0.994 1.00 42.51 O ATOM 1004 CB GLU A 66 5.487 -16.402 4.117 1.00 65.42 C ATOM 1005 CG GLU A 66 6.252 -15.666 5.208 1.00 30.25 C ATOM 1006 CD GLU A 66 7.702 -16.105 5.311 1.00 21.12 C ATOM 1007 OE1 GLU A 66 8.327 -16.366 4.265 1.00 65.41 O ATOM 1008 OE2 GLU A 66 8.218 -16.200 6.446 1.00 44.50 O ATOM 0 H GLU A 66 4.468 -14.315 3.282 1.00 22.21 H new ATOM 0 HA GLU A 66 6.822 -15.826 2.545 1.00 13.53 H new ATOM 0 HB2 GLU A 66 4.420 -16.340 4.330 1.00 65.42 H new ATOM 0 HB3 GLU A 66 5.757 -17.458 4.146 1.00 65.42 H new ATOM 0 HG2 GLU A 66 6.215 -14.595 5.011 1.00 30.25 H new ATOM 0 HG3 GLU A 66 5.759 -15.831 6.166 1.00 30.25 H new ATOM 1015 N VAL A 67 3.809 -16.662 1.519 1.00 60.24 N ATOM 1016 CA VAL A 67 3.088 -17.408 0.502 1.00 64.51 C ATOM 1017 C VAL A 67 2.205 -16.465 -0.308 1.00 1.34 C ATOM 1018 O VAL A 67 1.815 -15.399 0.175 1.00 75.32 O ATOM 1019 CB VAL A 67 2.225 -18.543 1.107 1.00 15.31 C ATOM 1020 CG1 VAL A 67 3.096 -19.551 1.841 1.00 42.13 C ATOM 1021 CG2 VAL A 67 1.161 -17.984 2.035 1.00 30.13 C ATOM 0 H VAL A 67 3.220 -16.061 2.096 1.00 60.24 H new ATOM 0 HA VAL A 67 3.831 -17.871 -0.147 1.00 64.51 H new ATOM 0 HB VAL A 67 1.724 -19.055 0.286 1.00 15.31 H new ATOM 0 HG11 VAL A 67 2.468 -20.339 2.258 1.00 42.13 H new ATOM 0 HG12 VAL A 67 3.813 -19.988 1.145 1.00 42.13 H new ATOM 0 HG13 VAL A 67 3.632 -19.050 2.647 1.00 42.13 H new ATOM 0 HG21 VAL A 67 0.570 -18.803 2.446 1.00 30.13 H new ATOM 0 HG22 VAL A 67 1.638 -17.437 2.848 1.00 30.13 H new ATOM 0 HG23 VAL A 67 0.510 -17.310 1.478 1.00 30.13 H new ATOM 1031 N SER A 68 1.891 -16.860 -1.533 1.00 70.14 N ATOM 1032 CA SER A 68 1.101 -16.029 -2.431 1.00 64.23 C ATOM 1033 C SER A 68 -0.319 -15.835 -1.912 1.00 64.32 C ATOM 1034 O SER A 68 -1.023 -14.914 -2.321 1.00 13.23 O ATOM 1035 CB SER A 68 1.080 -16.658 -3.819 1.00 55.25 C ATOM 1036 OG SER A 68 2.395 -16.941 -4.261 1.00 51.42 O ATOM 0 H SER A 68 2.173 -17.756 -1.930 1.00 70.14 H new ATOM 0 HA SER A 68 1.565 -15.044 -2.484 1.00 64.23 H new ATOM 0 HB2 SER A 68 0.493 -17.576 -3.799 1.00 55.25 H new ATOM 0 HB3 SER A 68 0.592 -15.983 -4.522 1.00 55.25 H new ATOM 0 HG SER A 68 2.390 -17.086 -5.230 1.00 51.42 H new ATOM 1042 N ALA A 69 -0.725 -16.696 -0.995 1.00 21.13 N ATOM 1043 CA ALA A 69 -2.038 -16.587 -0.377 1.00 65.44 C ATOM 1044 C ALA A 69 -2.119 -15.328 0.479 1.00 11.25 C ATOM 1045 O ALA A 69 -3.141 -14.644 0.500 1.00 24.41 O ATOM 1046 CB ALA A 69 -2.334 -17.823 0.457 1.00 11.15 C ATOM 0 H ALA A 69 -0.165 -17.480 -0.661 1.00 21.13 H new ATOM 0 HA ALA A 69 -2.789 -16.516 -1.164 1.00 65.44 H new ATOM 0 HB1 ALA A 69 -3.319 -17.727 0.913 1.00 11.15 H new ATOM 0 HB2 ALA A 69 -2.314 -18.706 -0.182 1.00 11.15 H new ATOM 0 HB3 ALA A 69 -1.581 -17.923 1.239 1.00 11.15 H new ATOM 1052 N GLU A 70 -1.021 -15.016 1.164 1.00 5.33 N ATOM 1053 CA GLU A 70 -0.943 -13.831 2.010 1.00 31.03 C ATOM 1054 C GLU A 70 -1.017 -12.569 1.158 1.00 2.33 C ATOM 1055 O GLU A 70 -1.580 -11.557 1.577 1.00 22.03 O ATOM 1056 CB GLU A 70 0.354 -13.856 2.818 1.00 24.24 C ATOM 1057 CG GLU A 70 0.459 -15.045 3.758 1.00 74.53 C ATOM 1058 CD GLU A 70 1.809 -15.131 4.435 1.00 42.12 C ATOM 1059 OE1 GLU A 70 2.815 -14.764 3.797 1.00 10.43 O ATOM 1060 OE2 GLU A 70 1.870 -15.565 5.603 1.00 33.10 O ATOM 0 H GLU A 70 -0.167 -15.574 1.148 1.00 5.33 H new ATOM 0 HA GLU A 70 -1.787 -13.830 2.700 1.00 31.03 H new ATOM 0 HB2 GLU A 70 1.200 -13.870 2.131 1.00 24.24 H new ATOM 0 HB3 GLU A 70 0.429 -12.936 3.398 1.00 24.24 H new ATOM 0 HG2 GLU A 70 -0.320 -14.974 4.517 1.00 74.53 H new ATOM 0 HG3 GLU A 70 0.277 -15.963 3.199 1.00 74.53 H new ATOM 1067 N LYS A 71 -0.450 -12.651 -0.042 1.00 70.24 N ATOM 1068 CA LYS A 71 -0.538 -11.571 -1.017 1.00 42.22 C ATOM 1069 C LYS A 71 -1.991 -11.235 -1.276 1.00 62.12 C ATOM 1070 O LYS A 71 -2.444 -10.117 -1.035 1.00 13.42 O ATOM 1071 CB LYS A 71 0.103 -12.010 -2.333 1.00 44.13 C ATOM 1072 CG LYS A 71 0.090 -10.947 -3.424 1.00 11.24 C ATOM 1073 CD LYS A 71 0.620 -11.499 -4.739 1.00 53.30 C ATOM 1074 CE LYS A 71 0.229 -10.633 -5.928 1.00 64.13 C ATOM 1075 NZ LYS A 71 0.762 -9.250 -5.830 1.00 60.05 N ATOM 0 H LYS A 71 0.079 -13.462 -0.363 1.00 70.24 H new ATOM 0 HA LYS A 71 -0.018 -10.698 -0.623 1.00 42.22 H new ATOM 0 HB2 LYS A 71 1.135 -12.303 -2.140 1.00 44.13 H new ATOM 0 HB3 LYS A 71 -0.417 -12.895 -2.699 1.00 44.13 H new ATOM 0 HG2 LYS A 71 -0.926 -10.579 -3.565 1.00 11.24 H new ATOM 0 HG3 LYS A 71 0.696 -10.096 -3.113 1.00 11.24 H new ATOM 0 HD2 LYS A 71 1.706 -11.573 -4.688 1.00 53.30 H new ATOM 0 HD3 LYS A 71 0.238 -12.509 -4.887 1.00 53.30 H new ATOM 0 HE2 LYS A 71 0.595 -11.095 -6.845 1.00 64.13 H new ATOM 0 HE3 LYS A 71 -0.858 -10.595 -6.003 1.00 64.13 H new ATOM 0 HZ1 LYS A 71 0.849 -8.843 -6.783 1.00 60.05 H new ATOM 0 HZ2 LYS A 71 0.113 -8.667 -5.263 1.00 60.05 H new ATOM 0 HZ3 LYS A 71 1.697 -9.270 -5.375 1.00 60.05 H new ATOM 1089 N LEU A 72 -2.709 -12.238 -1.750 1.00 22.31 N ATOM 1090 CA LEU A 72 -4.126 -12.102 -2.072 1.00 33.21 C ATOM 1091 C LEU A 72 -4.924 -11.579 -0.881 1.00 64.33 C ATOM 1092 O LEU A 72 -5.704 -10.643 -1.028 1.00 74.11 O ATOM 1093 CB LEU A 72 -4.694 -13.442 -2.543 1.00 15.24 C ATOM 1094 CG LEU A 72 -4.055 -14.008 -3.814 1.00 72.32 C ATOM 1095 CD1 LEU A 72 -4.670 -15.353 -4.168 1.00 12.32 C ATOM 1096 CD2 LEU A 72 -4.211 -13.032 -4.970 1.00 51.31 C ATOM 0 H LEU A 72 -2.331 -13.169 -1.924 1.00 22.31 H new ATOM 0 HA LEU A 72 -4.215 -11.374 -2.878 1.00 33.21 H new ATOM 0 HB2 LEU A 72 -4.577 -14.171 -1.741 1.00 15.24 H new ATOM 0 HB3 LEU A 72 -5.764 -13.325 -2.714 1.00 15.24 H new ATOM 0 HG LEU A 72 -2.991 -14.154 -3.627 1.00 72.32 H new ATOM 0 HD11 LEU A 72 -4.203 -15.739 -5.074 1.00 12.32 H new ATOM 0 HD12 LEU A 72 -4.508 -16.054 -3.349 1.00 12.32 H new ATOM 0 HD13 LEU A 72 -5.740 -15.231 -4.335 1.00 12.32 H new ATOM 0 HD21 LEU A 72 -3.751 -13.451 -5.865 1.00 51.31 H new ATOM 0 HD22 LEU A 72 -5.270 -12.854 -5.156 1.00 51.31 H new ATOM 0 HD23 LEU A 72 -3.724 -12.090 -4.719 1.00 51.31 H new ATOM 1108 N ILE A 73 -4.717 -12.168 0.296 1.00 33.22 N ATOM 1109 CA ILE A 73 -5.425 -11.738 1.503 1.00 14.04 C ATOM 1110 C ILE A 73 -5.171 -10.259 1.791 1.00 1.22 C ATOM 1111 O ILE A 73 -6.105 -9.494 2.043 1.00 4.23 O ATOM 1112 CB ILE A 73 -5.013 -12.578 2.737 1.00 34.03 C ATOM 1113 CG1 ILE A 73 -5.390 -14.046 2.530 1.00 33.44 C ATOM 1114 CG2 ILE A 73 -5.664 -12.033 4.004 1.00 63.32 C ATOM 1115 CD1 ILE A 73 -4.957 -14.951 3.664 1.00 43.04 C ATOM 0 H ILE A 73 -4.068 -12.941 0.440 1.00 33.22 H new ATOM 0 HA ILE A 73 -6.488 -11.891 1.316 1.00 14.04 H new ATOM 0 HB ILE A 73 -3.931 -12.509 2.854 1.00 34.03 H new ATOM 0 HG12 ILE A 73 -6.471 -14.121 2.409 1.00 33.44 H new ATOM 0 HG13 ILE A 73 -4.940 -14.400 1.602 1.00 33.44 H new ATOM 0 HG21 ILE A 73 -5.361 -12.638 4.858 1.00 63.32 H new ATOM 0 HG22 ILE A 73 -5.349 -11.001 4.160 1.00 63.32 H new ATOM 0 HG23 ILE A 73 -6.748 -12.069 3.900 1.00 63.32 H new ATOM 0 HD11 ILE A 73 -5.258 -15.976 3.447 1.00 43.04 H new ATOM 0 HD12 ILE A 73 -3.873 -14.907 3.771 1.00 43.04 H new ATOM 0 HD13 ILE A 73 -5.427 -14.623 4.591 1.00 43.04 H new ATOM 1127 N PHE A 74 -3.908 -9.859 1.737 1.00 54.15 N ATOM 1128 CA PHE A 74 -3.535 -8.469 1.973 1.00 42.25 C ATOM 1129 C PHE A 74 -4.154 -7.555 0.919 1.00 33.22 C ATOM 1130 O PHE A 74 -4.665 -6.477 1.233 1.00 1.35 O ATOM 1131 CB PHE A 74 -2.010 -8.324 1.971 1.00 41.32 C ATOM 1132 CG PHE A 74 -1.528 -6.909 2.133 1.00 13.25 C ATOM 1133 CD1 PHE A 74 -1.619 -6.266 3.354 1.00 11.43 C ATOM 1134 CD2 PHE A 74 -0.982 -6.222 1.060 1.00 34.22 C ATOM 1135 CE1 PHE A 74 -1.175 -4.966 3.504 1.00 2.01 C ATOM 1136 CE2 PHE A 74 -0.537 -4.923 1.202 1.00 21.35 C ATOM 1137 CZ PHE A 74 -0.635 -4.294 2.427 1.00 4.32 C ATOM 0 H PHE A 74 -3.123 -10.477 1.532 1.00 54.15 H new ATOM 0 HA PHE A 74 -3.917 -8.172 2.950 1.00 42.25 H new ATOM 0 HB2 PHE A 74 -1.597 -8.932 2.776 1.00 41.32 H new ATOM 0 HB3 PHE A 74 -1.619 -8.725 1.036 1.00 41.32 H new ATOM 0 HD1 PHE A 74 -2.042 -6.786 4.201 1.00 11.43 H new ATOM 0 HD2 PHE A 74 -0.904 -6.710 0.100 1.00 34.22 H new ATOM 0 HE1 PHE A 74 -1.251 -4.476 4.464 1.00 2.01 H new ATOM 0 HE2 PHE A 74 -0.113 -4.400 0.357 1.00 21.35 H new ATOM 0 HZ PHE A 74 -0.289 -3.277 2.542 1.00 4.32 H new ATOM 1147 N GLU A 75 -4.119 -7.999 -0.329 1.00 53.41 N ATOM 1148 CA GLU A 75 -4.671 -7.228 -1.433 1.00 15.24 C ATOM 1149 C GLU A 75 -6.195 -7.156 -1.339 1.00 11.44 C ATOM 1150 O GLU A 75 -6.806 -6.190 -1.792 1.00 43.25 O ATOM 1151 CB GLU A 75 -4.233 -7.826 -2.770 1.00 1.21 C ATOM 1152 CG GLU A 75 -2.726 -7.787 -2.979 1.00 4.22 C ATOM 1153 CD GLU A 75 -2.300 -8.289 -4.343 1.00 74.30 C ATOM 1154 OE1 GLU A 75 -2.907 -9.254 -4.847 1.00 0.44 O ATOM 1155 OE2 GLU A 75 -1.359 -7.707 -4.921 1.00 3.34 O ATOM 0 H GLU A 75 -3.712 -8.893 -0.603 1.00 53.41 H new ATOM 0 HA GLU A 75 -4.285 -6.210 -1.370 1.00 15.24 H new ATOM 0 HB2 GLU A 75 -4.575 -8.859 -2.828 1.00 1.21 H new ATOM 0 HB3 GLU A 75 -4.720 -7.283 -3.580 1.00 1.21 H new ATOM 0 HG2 GLU A 75 -2.374 -6.764 -2.849 1.00 4.22 H new ATOM 0 HG3 GLU A 75 -2.243 -8.390 -2.210 1.00 4.22 H new ATOM 1162 N LEU A 76 -6.800 -8.177 -0.744 1.00 24.42 N ATOM 1163 CA LEU A 76 -8.224 -8.196 -0.509 1.00 4.54 C ATOM 1164 C LEU A 76 -8.614 -7.171 0.551 1.00 43.21 C ATOM 1165 O LEU A 76 -9.602 -6.454 0.402 1.00 35.01 O ATOM 1166 CB LEU A 76 -8.642 -9.595 -0.069 1.00 72.21 C ATOM 1167 CG LEU A 76 -8.696 -10.648 -1.179 1.00 12.53 C ATOM 1168 CD1 LEU A 76 -9.052 -12.008 -0.600 1.00 63.01 C ATOM 1169 CD2 LEU A 76 -9.699 -10.247 -2.251 1.00 1.01 C ATOM 0 H LEU A 76 -6.312 -9.010 -0.414 1.00 24.42 H new ATOM 0 HA LEU A 76 -8.739 -7.934 -1.434 1.00 4.54 H new ATOM 0 HB2 LEU A 76 -7.948 -9.938 0.699 1.00 72.21 H new ATOM 0 HB3 LEU A 76 -9.626 -9.532 0.396 1.00 72.21 H new ATOM 0 HG LEU A 76 -7.711 -10.713 -1.640 1.00 12.53 H new ATOM 0 HD11 LEU A 76 -9.087 -12.747 -1.401 1.00 63.01 H new ATOM 0 HD12 LEU A 76 -8.298 -12.301 0.131 1.00 63.01 H new ATOM 0 HD13 LEU A 76 -10.026 -11.953 -0.115 1.00 63.01 H new ATOM 0 HD21 LEU A 76 -9.722 -11.008 -3.031 1.00 1.01 H new ATOM 0 HD22 LEU A 76 -10.689 -10.153 -1.806 1.00 1.01 H new ATOM 0 HD23 LEU A 76 -9.405 -9.292 -2.686 1.00 1.01 H new ATOM 1181 N LYS A 77 -7.831 -7.103 1.620 1.00 74.13 N ATOM 1182 CA LYS A 77 -8.089 -6.158 2.702 1.00 62.40 C ATOM 1183 C LYS A 77 -7.835 -4.723 2.252 1.00 62.14 C ATOM 1184 O LYS A 77 -8.601 -3.814 2.578 1.00 75.23 O ATOM 1185 CB LYS A 77 -7.223 -6.482 3.917 1.00 2.34 C ATOM 1186 CG LYS A 77 -7.586 -7.798 4.581 1.00 12.34 C ATOM 1187 CD LYS A 77 -6.762 -8.035 5.833 1.00 50.44 C ATOM 1188 CE LYS A 77 -7.234 -9.271 6.581 1.00 22.21 C ATOM 1189 NZ LYS A 77 -8.642 -9.139 7.046 1.00 60.10 N ATOM 0 H LYS A 77 -7.010 -7.692 1.762 1.00 74.13 H new ATOM 0 HA LYS A 77 -9.139 -6.252 2.979 1.00 62.40 H new ATOM 0 HB2 LYS A 77 -6.177 -6.514 3.611 1.00 2.34 H new ATOM 0 HB3 LYS A 77 -7.317 -5.677 4.646 1.00 2.34 H new ATOM 0 HG2 LYS A 77 -8.646 -7.798 4.836 1.00 12.34 H new ATOM 0 HG3 LYS A 77 -7.427 -8.617 3.879 1.00 12.34 H new ATOM 0 HD2 LYS A 77 -5.712 -8.150 5.563 1.00 50.44 H new ATOM 0 HD3 LYS A 77 -6.830 -7.165 6.486 1.00 50.44 H new ATOM 0 HE2 LYS A 77 -7.147 -10.142 5.932 1.00 22.21 H new ATOM 0 HE3 LYS A 77 -6.584 -9.446 7.438 1.00 22.21 H new ATOM 0 HZ1 LYS A 77 -8.823 -9.828 7.804 1.00 60.10 H new ATOM 0 HZ2 LYS A 77 -8.799 -8.177 7.408 1.00 60.10 H new ATOM 0 HZ3 LYS A 77 -9.288 -9.320 6.252 1.00 60.10 H new ATOM 1203 N THR A 78 -6.765 -4.526 1.496 1.00 3.20 N ATOM 1204 CA THR A 78 -6.409 -3.199 1.018 1.00 74.22 C ATOM 1205 C THR A 78 -7.414 -2.685 -0.008 1.00 11.11 C ATOM 1206 O THR A 78 -7.521 -1.486 -0.229 1.00 55.31 O ATOM 1207 CB THR A 78 -4.989 -3.174 0.426 1.00 35.43 C ATOM 1208 OG1 THR A 78 -4.774 -4.331 -0.391 1.00 2.42 O ATOM 1209 CG2 THR A 78 -3.951 -3.126 1.535 1.00 54.44 C ATOM 0 H THR A 78 -6.129 -5.267 1.201 1.00 3.20 H new ATOM 0 HA THR A 78 -6.432 -2.536 1.883 1.00 74.22 H new ATOM 0 HB THR A 78 -4.888 -2.279 -0.188 1.00 35.43 H new ATOM 0 HG1 THR A 78 -4.477 -5.077 0.170 1.00 2.42 H new ATOM 0 HG21 THR A 78 -2.952 -3.109 1.098 1.00 54.44 H new ATOM 0 HG22 THR A 78 -4.100 -2.228 2.135 1.00 54.44 H new ATOM 0 HG23 THR A 78 -4.055 -4.007 2.169 1.00 54.44 H new ATOM 1217 N ARG A 79 -8.162 -3.599 -0.615 1.00 52.54 N ATOM 1218 CA ARG A 79 -9.232 -3.243 -1.529 1.00 3.31 C ATOM 1219 C ARG A 79 -10.273 -2.374 -0.832 1.00 44.24 C ATOM 1220 O ARG A 79 -10.743 -1.383 -1.386 1.00 52.10 O ATOM 1221 CB ARG A 79 -9.880 -4.516 -2.067 1.00 40.55 C ATOM 1222 CG ARG A 79 -9.233 -5.041 -3.338 1.00 53.23 C ATOM 1223 CD ARG A 79 -9.838 -4.398 -4.573 1.00 22.31 C ATOM 1224 NE ARG A 79 -11.202 -4.869 -4.815 1.00 54.32 N ATOM 1225 CZ ARG A 79 -12.171 -4.123 -5.343 1.00 32.55 C ATOM 1226 NH1 ARG A 79 -11.956 -2.840 -5.622 1.00 34.42 N ATOM 1227 NH2 ARG A 79 -13.362 -4.660 -5.579 1.00 42.44 N ATOM 0 H ARG A 79 -8.042 -4.604 -0.486 1.00 52.54 H new ATOM 0 HA ARG A 79 -8.815 -2.669 -2.357 1.00 3.31 H new ATOM 0 HB2 ARG A 79 -9.833 -5.289 -1.300 1.00 40.55 H new ATOM 0 HB3 ARG A 79 -10.935 -4.322 -2.260 1.00 40.55 H new ATOM 0 HG2 ARG A 79 -8.161 -4.844 -3.311 1.00 53.23 H new ATOM 0 HG3 ARG A 79 -9.357 -6.123 -3.391 1.00 53.23 H new ATOM 0 HD2 ARG A 79 -9.843 -3.315 -4.454 1.00 22.31 H new ATOM 0 HD3 ARG A 79 -9.217 -4.621 -5.441 1.00 22.31 H new ATOM 0 HE ARG A 79 -11.425 -5.832 -4.563 1.00 54.32 H new ATOM 0 HH11 ARG A 79 -11.045 -2.422 -5.432 1.00 34.42 H new ATOM 0 HH12 ARG A 79 -12.702 -2.274 -6.026 1.00 34.42 H new ATOM 0 HH21 ARG A 79 -13.533 -5.641 -5.356 1.00 42.44 H new ATOM 0 HH22 ARG A 79 -14.107 -4.092 -5.983 1.00 42.44 H new ATOM 1241 N SER A 80 -10.627 -2.761 0.384 1.00 62.51 N ATOM 1242 CA SER A 80 -11.639 -2.067 1.142 1.00 11.34 C ATOM 1243 C SER A 80 -11.109 -0.777 1.757 1.00 61.43 C ATOM 1244 O SER A 80 -11.787 0.251 1.742 1.00 24.21 O ATOM 1245 CB SER A 80 -12.165 -2.997 2.224 1.00 74.25 C ATOM 1246 OG SER A 80 -12.611 -4.222 1.664 1.00 33.22 O ATOM 0 H SER A 80 -10.219 -3.562 0.865 1.00 62.51 H new ATOM 0 HA SER A 80 -12.446 -1.784 0.466 1.00 11.34 H new ATOM 0 HB2 SER A 80 -11.381 -3.191 2.956 1.00 74.25 H new ATOM 0 HB3 SER A 80 -12.985 -2.515 2.756 1.00 74.25 H new ATOM 0 HG SER A 80 -12.944 -4.806 2.377 1.00 33.22 H new ATOM 1252 N LEU A 81 -9.896 -0.830 2.284 1.00 15.33 N ATOM 1253 CA LEU A 81 -9.300 0.312 2.935 1.00 64.34 C ATOM 1254 C LEU A 81 -8.871 1.349 1.903 1.00 64.02 C ATOM 1255 O LEU A 81 -9.101 2.547 2.071 1.00 42.31 O ATOM 1256 CB LEU A 81 -8.096 -0.143 3.760 1.00 13.01 C ATOM 1257 CG LEU A 81 -7.097 0.958 4.079 1.00 14.45 C ATOM 1258 CD1 LEU A 81 -7.683 1.957 5.066 1.00 22.03 C ATOM 1259 CD2 LEU A 81 -5.795 0.377 4.606 1.00 74.12 C ATOM 0 H LEU A 81 -9.306 -1.662 2.270 1.00 15.33 H new ATOM 0 HA LEU A 81 -10.036 0.771 3.595 1.00 64.34 H new ATOM 0 HB2 LEU A 81 -8.454 -0.573 4.695 1.00 13.01 H new ATOM 0 HB3 LEU A 81 -7.581 -0.938 3.220 1.00 13.01 H new ATOM 0 HG LEU A 81 -6.878 1.489 3.152 1.00 14.45 H new ATOM 0 HD11 LEU A 81 -6.948 2.734 5.277 1.00 22.03 H new ATOM 0 HD12 LEU A 81 -8.577 2.410 4.638 1.00 22.03 H new ATOM 0 HD13 LEU A 81 -7.944 1.444 5.991 1.00 22.03 H new ATOM 0 HD21 LEU A 81 -5.098 1.186 4.826 1.00 74.12 H new ATOM 0 HD22 LEU A 81 -5.992 -0.190 5.516 1.00 74.12 H new ATOM 0 HD23 LEU A 81 -5.360 -0.282 3.854 1.00 74.12 H new ATOM 1271 N ALA A 82 -8.276 0.876 0.824 1.00 22.43 N ATOM 1272 CA ALA A 82 -7.705 1.756 -0.179 1.00 62.03 C ATOM 1273 C ALA A 82 -8.476 1.641 -1.480 1.00 30.11 C ATOM 1274 O ALA A 82 -8.045 0.995 -2.432 1.00 21.02 O ATOM 1275 CB ALA A 82 -6.230 1.451 -0.386 1.00 23.14 C ATOM 0 H ALA A 82 -8.175 -0.118 0.619 1.00 22.43 H new ATOM 0 HA ALA A 82 -7.785 2.784 0.174 1.00 62.03 H new ATOM 0 HB1 ALA A 82 -5.822 2.122 -1.142 1.00 23.14 H new ATOM 0 HB2 ALA A 82 -5.694 1.593 0.552 1.00 23.14 H new ATOM 0 HB3 ALA A 82 -6.115 0.419 -0.717 1.00 23.14 H new ATOM 1281 N ARG A 83 -9.643 2.255 -1.501 1.00 64.14 N ATOM 1282 CA ARG A 83 -10.490 2.235 -2.677 1.00 51.13 C ATOM 1283 C ARG A 83 -10.232 3.481 -3.513 1.00 14.54 C ATOM 1284 O ARG A 83 -10.879 3.712 -4.535 1.00 31.43 O ATOM 1285 CB ARG A 83 -11.956 2.178 -2.256 1.00 11.31 C ATOM 1286 CG ARG A 83 -12.823 1.332 -3.171 1.00 1.13 C ATOM 1287 CD ARG A 83 -14.281 1.410 -2.761 1.00 64.01 C ATOM 1288 NE ARG A 83 -15.099 0.406 -3.437 1.00 41.03 N ATOM 1289 CZ ARG A 83 -15.709 0.608 -4.602 1.00 24.20 C ATOM 1290 NH1 ARG A 83 -15.531 1.747 -5.261 1.00 53.13 N ATOM 1291 NH2 ARG A 83 -16.488 -0.337 -5.109 1.00 20.15 N ATOM 0 H ARG A 83 -10.027 2.776 -0.713 1.00 64.14 H new ATOM 0 HA ARG A 83 -10.261 1.353 -3.274 1.00 51.13 H new ATOM 0 HB2 ARG A 83 -12.018 1.781 -1.243 1.00 11.31 H new ATOM 0 HB3 ARG A 83 -12.356 3.192 -2.227 1.00 11.31 H new ATOM 0 HG2 ARG A 83 -12.712 1.672 -4.201 1.00 1.13 H new ATOM 0 HG3 ARG A 83 -12.488 0.295 -3.140 1.00 1.13 H new ATOM 0 HD2 ARG A 83 -14.361 1.275 -1.682 1.00 64.01 H new ATOM 0 HD3 ARG A 83 -14.668 2.404 -2.987 1.00 64.01 H new ATOM 0 HE ARG A 83 -15.209 -0.504 -2.989 1.00 41.03 H new ATOM 0 HH11 ARG A 83 -14.925 2.471 -4.874 1.00 53.13 H new ATOM 0 HH12 ARG A 83 -16.000 1.898 -6.154 1.00 53.13 H new ATOM 0 HH21 ARG A 83 -16.618 -1.215 -4.606 1.00 20.15 H new ATOM 0 HH22 ARG A 83 -16.958 -0.186 -6.002 1.00 20.15 H new ATOM 1305 N LEU A 84 -9.271 4.280 -3.062 1.00 13.43 N ATOM 1306 CA LEU A 84 -8.932 5.531 -3.730 1.00 25.32 C ATOM 1307 C LEU A 84 -7.735 5.339 -4.641 1.00 2.32 C ATOM 1308 O LEU A 84 -7.220 6.282 -5.239 1.00 34.23 O ATOM 1309 CB LEU A 84 -8.642 6.626 -2.699 1.00 61.04 C ATOM 1310 CG LEU A 84 -9.780 6.927 -1.719 1.00 25.24 C ATOM 1311 CD1 LEU A 84 -9.335 7.950 -0.685 1.00 35.22 C ATOM 1312 CD2 LEU A 84 -11.010 7.425 -2.464 1.00 75.34 C ATOM 0 H LEU A 84 -8.711 4.082 -2.233 1.00 13.43 H new ATOM 0 HA LEU A 84 -9.784 5.839 -4.336 1.00 25.32 H new ATOM 0 HB2 LEU A 84 -7.760 6.338 -2.127 1.00 61.04 H new ATOM 0 HB3 LEU A 84 -8.391 7.544 -3.231 1.00 61.04 H new ATOM 0 HG LEU A 84 -10.041 6.004 -1.202 1.00 25.24 H new ATOM 0 HD11 LEU A 84 -10.156 8.152 0.003 1.00 35.22 H new ATOM 0 HD12 LEU A 84 -8.483 7.558 -0.129 1.00 35.22 H new ATOM 0 HD13 LEU A 84 -9.047 8.873 -1.187 1.00 35.22 H new ATOM 0 HD21 LEU A 84 -11.808 7.633 -1.751 1.00 75.34 H new ATOM 0 HD22 LEU A 84 -10.762 8.337 -3.008 1.00 75.34 H new ATOM 0 HD23 LEU A 84 -11.343 6.662 -3.168 1.00 75.34 H new ATOM 1324 N GLU A 85 -7.326 4.101 -4.753 1.00 54.42 N ATOM 1325 CA GLU A 85 -6.204 3.732 -5.597 1.00 14.11 C ATOM 1326 C GLU A 85 -6.660 2.702 -6.615 1.00 71.34 C ATOM 1327 O GLU A 85 -7.845 2.371 -6.689 1.00 41.14 O ATOM 1328 CB GLU A 85 -5.039 3.173 -4.768 1.00 60.45 C ATOM 1329 CG GLU A 85 -5.364 1.884 -4.030 1.00 64.15 C ATOM 1330 CD GLU A 85 -4.126 1.177 -3.510 1.00 53.10 C ATOM 1331 OE1 GLU A 85 -3.662 1.510 -2.401 1.00 62.32 O ATOM 1332 OE2 GLU A 85 -3.621 0.271 -4.208 1.00 54.03 O ATOM 0 H GLU A 85 -7.757 3.316 -4.264 1.00 54.42 H new ATOM 0 HA GLU A 85 -5.847 4.626 -6.108 1.00 14.11 H new ATOM 0 HB2 GLU A 85 -4.189 2.997 -5.428 1.00 60.45 H new ATOM 0 HB3 GLU A 85 -4.729 3.926 -4.043 1.00 60.45 H new ATOM 0 HG2 GLU A 85 -6.028 2.106 -3.195 1.00 64.15 H new ATOM 0 HG3 GLU A 85 -5.906 1.215 -4.698 1.00 64.15 H new ATOM 1339 N HIS A 86 -5.729 2.200 -7.402 1.00 2.01 N ATOM 1340 CA HIS A 86 -6.039 1.169 -8.374 1.00 13.21 C ATOM 1341 C HIS A 86 -5.211 -0.070 -8.088 1.00 23.50 C ATOM 1342 O HIS A 86 -4.208 -0.340 -8.749 1.00 3.42 O ATOM 1343 CB HIS A 86 -5.821 1.678 -9.800 1.00 52.43 C ATOM 1344 CG HIS A 86 -6.806 2.735 -10.197 1.00 52.51 C ATOM 1345 ND1 HIS A 86 -6.514 4.083 -10.197 1.00 72.52 N ATOM 1346 CD2 HIS A 86 -8.097 2.634 -10.589 1.00 43.42 C ATOM 1347 CE1 HIS A 86 -7.584 4.761 -10.570 1.00 51.24 C ATOM 1348 NE2 HIS A 86 -8.557 3.906 -10.813 1.00 44.33 N ATOM 0 H HIS A 86 -4.751 2.489 -7.388 1.00 2.01 H new ATOM 0 HA HIS A 86 -7.093 0.904 -8.288 1.00 13.21 H new ATOM 0 HB2 HIS A 86 -4.811 2.078 -9.887 1.00 52.43 H new ATOM 0 HB3 HIS A 86 -5.894 0.841 -10.495 1.00 52.43 H new ATOM 0 HD2 HIS A 86 -8.661 1.720 -10.704 1.00 43.42 H new ATOM 0 HE1 HIS A 86 -7.651 5.835 -10.661 1.00 51.24 H new ATOM 0 HE2 HIS A 86 -9.499 4.151 -11.118 1.00 44.33 H new ATOM 1357 N HIS A 87 -5.631 -0.796 -7.062 1.00 63.44 N ATOM 1358 CA HIS A 87 -4.913 -1.969 -6.586 1.00 33.03 C ATOM 1359 C HIS A 87 -5.149 -3.152 -7.520 1.00 10.33 C ATOM 1360 O HIS A 87 -6.198 -3.793 -7.470 1.00 75.44 O ATOM 1361 CB HIS A 87 -5.381 -2.309 -5.166 1.00 65.14 C ATOM 1362 CG HIS A 87 -4.340 -2.960 -4.309 1.00 23.12 C ATOM 1363 ND1 HIS A 87 -3.456 -2.241 -3.540 1.00 64.12 N ATOM 1364 CD2 HIS A 87 -4.056 -4.265 -4.081 1.00 74.34 C ATOM 1365 CE1 HIS A 87 -2.676 -3.068 -2.873 1.00 21.52 C ATOM 1366 NE2 HIS A 87 -3.018 -4.305 -3.180 1.00 63.01 N ATOM 0 H HIS A 87 -6.480 -0.588 -6.536 1.00 63.44 H new ATOM 0 HA HIS A 87 -3.844 -1.755 -6.571 1.00 33.03 H new ATOM 0 HB2 HIS A 87 -5.715 -1.393 -4.678 1.00 65.14 H new ATOM 0 HB3 HIS A 87 -6.246 -2.969 -5.230 1.00 65.14 H new ATOM 0 HD1 HIS A 87 -3.411 -1.223 -3.493 1.00 64.12 H new ATOM 0 HD2 HIS A 87 -4.552 -5.116 -4.524 1.00 74.34 H new ATOM 0 HE1 HIS A 87 -1.890 -2.782 -2.190 1.00 21.52 H new ATOM 1375 N HIS A 88 -4.183 -3.419 -8.387 1.00 73.53 N ATOM 1376 CA HIS A 88 -4.295 -4.516 -9.342 1.00 12.13 C ATOM 1377 C HIS A 88 -3.584 -5.757 -8.825 1.00 40.24 C ATOM 1378 O HIS A 88 -2.575 -5.656 -8.127 1.00 5.53 O ATOM 1379 CB HIS A 88 -3.705 -4.118 -10.702 1.00 2.40 C ATOM 1380 CG HIS A 88 -4.605 -3.257 -11.537 1.00 32.11 C ATOM 1381 ND1 HIS A 88 -4.600 -3.287 -12.914 1.00 14.31 N ATOM 1382 CD2 HIS A 88 -5.532 -2.333 -11.189 1.00 61.25 C ATOM 1383 CE1 HIS A 88 -5.483 -2.423 -13.375 1.00 61.40 C ATOM 1384 NE2 HIS A 88 -6.063 -1.830 -12.350 1.00 13.22 N ATOM 0 H HIS A 88 -3.312 -2.892 -8.450 1.00 73.53 H new ATOM 0 HA HIS A 88 -5.355 -4.739 -9.466 1.00 12.13 H new ATOM 0 HB2 HIS A 88 -2.766 -3.589 -10.537 1.00 2.40 H new ATOM 0 HB3 HIS A 88 -3.467 -5.023 -11.261 1.00 2.40 H new ATOM 0 HD2 HIS A 88 -5.803 -2.045 -10.184 1.00 61.25 H new ATOM 0 HE1 HIS A 88 -5.695 -2.233 -14.417 1.00 61.40 H new ATOM 0 HE2 HIS A 88 -6.788 -1.115 -12.410 1.00 13.22 H new ATOM 1393 N HIS A 89 -4.126 -6.922 -9.154 1.00 1.03 N ATOM 1394 CA HIS A 89 -3.504 -8.192 -8.801 1.00 60.20 C ATOM 1395 C HIS A 89 -2.621 -8.667 -9.945 1.00 22.11 C ATOM 1396 O HIS A 89 -3.120 -9.107 -10.980 1.00 34.35 O ATOM 1397 CB HIS A 89 -4.558 -9.268 -8.502 1.00 3.31 C ATOM 1398 CG HIS A 89 -5.513 -8.922 -7.403 1.00 63.52 C ATOM 1399 ND1 HIS A 89 -5.212 -9.054 -6.065 1.00 30.23 N ATOM 1400 CD2 HIS A 89 -6.786 -8.464 -7.454 1.00 42.53 C ATOM 1401 CE1 HIS A 89 -6.257 -8.697 -5.344 1.00 25.42 C ATOM 1402 NE2 HIS A 89 -7.226 -8.333 -6.162 1.00 60.42 N ATOM 0 H HIS A 89 -5.002 -7.014 -9.669 1.00 1.03 H new ATOM 0 HA HIS A 89 -2.906 -8.033 -7.904 1.00 60.20 H new ATOM 0 HB2 HIS A 89 -5.127 -9.462 -9.411 1.00 3.31 H new ATOM 0 HB3 HIS A 89 -4.047 -10.195 -8.242 1.00 3.31 H new ATOM 0 HD1 HIS A 89 -4.320 -9.377 -5.690 1.00 30.23 H new ATOM 0 HD2 HIS A 89 -7.351 -8.243 -8.348 1.00 42.53 H new ATOM 0 HE1 HIS A 89 -6.311 -8.702 -4.265 1.00 25.42 H new ATOM 1411 N HIS A 90 -1.317 -8.561 -9.771 1.00 2.04 N ATOM 1412 CA HIS A 90 -0.389 -8.991 -10.801 1.00 54.32 C ATOM 1413 C HIS A 90 -0.285 -10.512 -10.816 1.00 63.52 C ATOM 1414 O HIS A 90 0.142 -11.125 -9.836 1.00 35.35 O ATOM 1415 CB HIS A 90 0.996 -8.369 -10.588 1.00 44.22 C ATOM 1416 CG HIS A 90 2.002 -8.808 -11.609 1.00 62.30 C ATOM 1417 ND1 HIS A 90 2.793 -9.922 -11.446 1.00 73.31 N ATOM 1418 CD2 HIS A 90 2.323 -8.295 -12.822 1.00 33.03 C ATOM 1419 CE1 HIS A 90 3.553 -10.082 -12.511 1.00 31.23 C ATOM 1420 NE2 HIS A 90 3.288 -9.109 -13.361 1.00 4.32 N ATOM 0 H HIS A 90 -0.878 -8.183 -8.931 1.00 2.04 H new ATOM 0 HA HIS A 90 -0.771 -8.652 -11.764 1.00 54.32 H new ATOM 0 HB2 HIS A 90 0.908 -7.283 -10.617 1.00 44.22 H new ATOM 0 HB3 HIS A 90 1.357 -8.633 -9.594 1.00 44.22 H new ATOM 0 HD2 HIS A 90 1.899 -7.412 -13.278 1.00 33.03 H new ATOM 0 HE1 HIS A 90 4.271 -10.875 -12.662 1.00 31.23 H new ATOM 0 HE2 HIS A 90 3.729 -8.982 -14.272 1.00 4.32 H new ATOM 1429 N HIS A 91 -0.688 -11.113 -11.924 1.00 42.05 N ATOM 1430 CA HIS A 91 -0.549 -12.545 -12.107 1.00 13.00 C ATOM 1431 C HIS A 91 0.621 -12.827 -13.039 1.00 43.41 C ATOM 1432 O HIS A 91 1.737 -13.055 -12.540 1.00 37.35 O ATOM 1433 CB HIS A 91 -1.841 -13.147 -12.671 1.00 55.42 C ATOM 1434 CG HIS A 91 -1.801 -14.638 -12.820 1.00 31.04 C ATOM 1435 ND1 HIS A 91 -1.699 -15.266 -14.040 1.00 73.43 N ATOM 1436 CD2 HIS A 91 -1.857 -15.625 -11.894 1.00 23.34 C ATOM 1437 CE1 HIS A 91 -1.697 -16.574 -13.862 1.00 34.33 C ATOM 1438 NE2 HIS A 91 -1.790 -16.820 -12.568 1.00 31.15 N ATOM 1439 OXT HIS A 91 0.424 -12.795 -14.268 1.00 37.35 O ATOM 0 H HIS A 91 -1.116 -10.627 -12.712 1.00 42.05 H new ATOM 0 HA HIS A 91 -0.356 -13.009 -11.140 1.00 13.00 H new ATOM 0 HB2 HIS A 91 -2.671 -12.879 -12.017 1.00 55.42 H new ATOM 0 HB3 HIS A 91 -2.044 -12.700 -13.644 1.00 55.42 H new ATOM 0 HD2 HIS A 91 -1.939 -15.496 -10.825 1.00 23.34 H new ATOM 0 HE1 HIS A 91 -1.631 -17.317 -14.643 1.00 34.33 H new ATOM 0 HE2 HIS A 91 -1.809 -17.745 -12.139 1.00 31.15 H new TER 1448 HIS A 91