USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 791 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 64 ASN : amide:sc= -0.702 K(o=-0.58,f=-2.5) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 137:sc= 0.119 (180deg=-0.0376) USER MOD Single : A 1 MET CE :methyl -143:sc= 0 (180deg=-0.0419) USER MOD Single : A 1 MET N :NH3+ 154:sc= -0.013 (180deg=-0.236) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -53:sc= 0.818 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc=-0.00869 (180deg=-0.137) USER MOD Single : A 21 ASN : amide:sc= 0.472 X(o=0.47,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 150:sc= -0.357 USER MOD Single : A 29 SER OG : rot -100:sc= 0.0535 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 161:sc= -0.137 (180deg=-0.714) USER MOD Single : A 35 LYS NZ :NH3+ -149:sc=-0.00447 (180deg=-0.146) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.0003) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 141:sc= -0.435 (180deg=-2.28!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0261) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 179:sc= 0 (180deg=-0.0018) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -2.09 K(o=-2.1,f=-4.4!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.021 0.126 1.974 1.00 2.05 N ATOM 2 CA MET A 1 2.624 0.856 0.776 1.00 14.13 C ATOM 3 C MET A 1 3.006 0.084 -0.483 1.00 2.34 C ATOM 4 O MET A 1 3.987 -0.659 -0.492 1.00 32.10 O ATOM 5 CB MET A 1 3.274 2.241 0.757 1.00 22.43 C ATOM 6 CG MET A 1 4.765 2.215 1.052 1.00 2.41 C ATOM 7 SD MET A 1 5.536 3.835 0.871 1.00 5.20 S ATOM 8 CE MET A 1 5.674 3.947 -0.911 1.00 54.53 C ATOM 0 H1 MET A 1 3.169 0.796 2.756 1.00 2.05 H new ATOM 0 H2 MET A 1 2.273 -0.549 2.233 1.00 2.05 H new ATOM 0 H3 MET A 1 3.904 -0.391 1.789 1.00 2.05 H new ATOM 0 HA MET A 1 1.540 0.972 0.794 1.00 14.13 H new ATOM 0 HB2 MET A 1 3.113 2.696 -0.220 1.00 22.43 H new ATOM 0 HB3 MET A 1 2.778 2.877 1.490 1.00 22.43 H new ATOM 0 HG2 MET A 1 4.924 1.852 2.067 1.00 2.41 H new ATOM 0 HG3 MET A 1 5.252 1.508 0.381 1.00 2.41 H new ATOM 0 HE1 MET A 1 6.606 4.447 -1.173 1.00 54.53 H new ATOM 0 HE2 MET A 1 5.667 2.945 -1.340 1.00 54.53 H new ATOM 0 HE3 MET A 1 4.833 4.517 -1.306 1.00 54.53 H new ATOM 18 N ALA A 2 2.226 0.266 -1.543 1.00 34.22 N ATOM 19 CA ALA A 2 2.484 -0.412 -2.807 1.00 23.21 C ATOM 20 C ALA A 2 3.802 0.051 -3.418 1.00 63.55 C ATOM 21 O ALA A 2 4.505 0.882 -2.846 1.00 4.00 O ATOM 22 CB ALA A 2 1.337 -0.174 -3.778 1.00 23.11 C ATOM 0 H ALA A 2 1.410 0.878 -1.551 1.00 34.22 H new ATOM 0 HA ALA A 2 2.561 -1.481 -2.609 1.00 23.21 H new ATOM 0 HB1 ALA A 2 1.544 -0.686 -4.718 1.00 23.11 H new ATOM 0 HB2 ALA A 2 0.412 -0.560 -3.350 1.00 23.11 H new ATOM 0 HB3 ALA A 2 1.233 0.895 -3.963 1.00 23.11 H new ATOM 28 N GLY A 3 4.132 -0.495 -4.586 1.00 12.43 N ATOM 29 CA GLY A 3 5.366 -0.126 -5.255 1.00 15.42 C ATOM 30 C GLY A 3 6.548 -0.952 -4.788 1.00 53.40 C ATOM 31 O GLY A 3 7.261 -0.560 -3.865 1.00 62.01 O ATOM 0 H GLY A 3 3.567 -1.186 -5.080 1.00 12.43 H new ATOM 0 HA2 GLY A 3 5.243 -0.249 -6.331 1.00 15.42 H new ATOM 0 HA3 GLY A 3 5.571 0.930 -5.076 1.00 15.42 H new ATOM 35 N ALA A 4 6.755 -2.099 -5.426 1.00 53.00 N ATOM 36 CA ALA A 4 7.859 -2.982 -5.071 1.00 35.10 C ATOM 37 C ALA A 4 8.500 -3.587 -6.315 1.00 75.33 C ATOM 38 O ALA A 4 7.972 -3.461 -7.420 1.00 63.44 O ATOM 39 CB ALA A 4 7.375 -4.081 -4.136 1.00 65.11 C ATOM 0 H ALA A 4 6.173 -2.439 -6.191 1.00 53.00 H new ATOM 0 HA ALA A 4 8.616 -2.389 -4.557 1.00 35.10 H new ATOM 0 HB1 ALA A 4 8.209 -4.733 -3.879 1.00 65.11 H new ATOM 0 HB2 ALA A 4 6.970 -3.634 -3.228 1.00 65.11 H new ATOM 0 HB3 ALA A 4 6.598 -4.664 -4.631 1.00 65.11 H new ATOM 45 N SER A 5 9.640 -4.244 -6.128 1.00 40.21 N ATOM 46 CA SER A 5 10.355 -4.865 -7.237 1.00 4.33 C ATOM 47 C SER A 5 10.379 -6.383 -7.086 1.00 2.33 C ATOM 48 O SER A 5 11.419 -7.019 -7.260 1.00 53.33 O ATOM 49 CB SER A 5 11.785 -4.326 -7.314 1.00 63.12 C ATOM 50 OG SER A 5 12.355 -4.204 -6.022 1.00 52.44 O ATOM 0 H SER A 5 10.088 -4.360 -5.219 1.00 40.21 H new ATOM 0 HA SER A 5 9.830 -4.618 -8.160 1.00 4.33 H new ATOM 0 HB2 SER A 5 12.396 -4.993 -7.923 1.00 63.12 H new ATOM 0 HB3 SER A 5 11.785 -3.354 -7.808 1.00 63.12 H new ATOM 0 HG SER A 5 13.269 -3.859 -6.099 1.00 52.44 H new ATOM 56 N ASP A 6 9.226 -6.956 -6.760 1.00 62.40 N ATOM 57 CA ASP A 6 9.113 -8.400 -6.586 1.00 54.20 C ATOM 58 C ASP A 6 8.092 -8.986 -7.557 1.00 43.41 C ATOM 59 O ASP A 6 8.274 -10.088 -8.074 1.00 23.23 O ATOM 60 CB ASP A 6 8.715 -8.732 -5.147 1.00 53.20 C ATOM 61 CG ASP A 6 9.114 -10.138 -4.746 1.00 35.41 C ATOM 62 OD1 ASP A 6 9.951 -10.740 -5.449 1.00 62.54 O ATOM 63 OD2 ASP A 6 8.587 -10.638 -3.729 1.00 4.50 O ATOM 0 H ASP A 6 8.357 -6.444 -6.611 1.00 62.40 H new ATOM 0 HA ASP A 6 10.086 -8.844 -6.798 1.00 54.20 H new ATOM 0 HB2 ASP A 6 9.183 -8.018 -4.470 1.00 53.20 H new ATOM 0 HB3 ASP A 6 7.637 -8.618 -5.036 1.00 53.20 H new ATOM 68 N ARG A 7 7.019 -8.241 -7.800 1.00 14.12 N ATOM 69 CA ARG A 7 5.968 -8.688 -8.707 1.00 2.52 C ATOM 70 C ARG A 7 5.718 -7.653 -9.800 1.00 60.13 C ATOM 71 O ARG A 7 6.299 -6.567 -9.789 1.00 23.45 O ATOM 72 CB ARG A 7 4.675 -8.951 -7.933 1.00 51.33 C ATOM 73 CG ARG A 7 4.836 -9.951 -6.800 1.00 74.24 C ATOM 74 CD ARG A 7 3.870 -9.663 -5.662 1.00 34.32 C ATOM 75 NE ARG A 7 4.244 -10.364 -4.436 1.00 75.44 N ATOM 76 CZ ARG A 7 3.534 -10.313 -3.315 1.00 1.24 C ATOM 77 NH1 ARG A 7 2.419 -9.597 -3.264 1.00 20.33 N ATOM 78 NH2 ARG A 7 3.939 -10.978 -2.241 1.00 24.44 N ATOM 0 H ARG A 7 6.854 -7.325 -7.382 1.00 14.12 H new ATOM 0 HA ARG A 7 6.297 -9.615 -9.176 1.00 2.52 H new ATOM 0 HB2 ARG A 7 4.308 -8.009 -7.526 1.00 51.33 H new ATOM 0 HB3 ARG A 7 3.916 -9.317 -8.624 1.00 51.33 H new ATOM 0 HG2 ARG A 7 4.666 -10.960 -7.177 1.00 74.24 H new ATOM 0 HG3 ARG A 7 5.860 -9.918 -6.427 1.00 74.24 H new ATOM 0 HD2 ARG A 7 3.843 -8.590 -5.472 1.00 34.32 H new ATOM 0 HD3 ARG A 7 2.864 -9.960 -5.957 1.00 34.32 H new ATOM 0 HE ARG A 7 5.097 -10.923 -4.441 1.00 75.44 H new ATOM 0 HH11 ARG A 7 2.105 -9.083 -4.087 1.00 20.33 H new ATOM 0 HH12 ARG A 7 1.876 -9.560 -2.401 1.00 20.33 H new ATOM 0 HH21 ARG A 7 4.797 -11.529 -2.276 1.00 24.44 H new ATOM 0 HH22 ARG A 7 3.393 -10.938 -1.380 1.00 24.44 H new ATOM 92 N THR A 8 4.849 -7.997 -10.746 1.00 30.12 N ATOM 93 CA THR A 8 4.523 -7.100 -11.847 1.00 71.22 C ATOM 94 C THR A 8 3.221 -6.353 -11.581 1.00 5.44 C ATOM 95 O THR A 8 2.535 -5.931 -12.510 1.00 74.22 O ATOM 96 CB THR A 8 4.398 -7.866 -13.178 1.00 23.43 C ATOM 97 OG1 THR A 8 4.258 -6.943 -14.263 1.00 63.33 O ATOM 98 CG2 THR A 8 3.205 -8.809 -13.150 1.00 15.14 C ATOM 0 H THR A 8 4.358 -8.891 -10.771 1.00 30.12 H new ATOM 0 HA THR A 8 5.341 -6.384 -11.923 1.00 71.22 H new ATOM 0 HB THR A 8 5.304 -8.456 -13.318 1.00 23.43 H new ATOM 0 HG1 THR A 8 3.520 -6.326 -14.074 1.00 63.33 H new ATOM 0 HG21 THR A 8 3.137 -9.339 -14.100 1.00 15.14 H new ATOM 0 HG22 THR A 8 3.329 -9.529 -12.341 1.00 15.14 H new ATOM 0 HG23 THR A 8 2.292 -8.236 -12.988 1.00 15.14 H new ATOM 106 N GLY A 9 2.888 -6.191 -10.304 1.00 1.54 N ATOM 107 CA GLY A 9 1.669 -5.493 -9.938 1.00 4.41 C ATOM 108 C GLY A 9 1.258 -5.757 -8.503 1.00 43.11 C ATOM 109 O GLY A 9 0.193 -6.320 -8.248 1.00 43.43 O ATOM 0 H GLY A 9 3.440 -6.531 -9.517 1.00 1.54 H new ATOM 0 HA2 GLY A 9 1.811 -4.422 -10.081 1.00 4.41 H new ATOM 0 HA3 GLY A 9 0.864 -5.800 -10.606 1.00 4.41 H new ATOM 113 N VAL A 10 2.105 -5.352 -7.562 1.00 41.51 N ATOM 114 CA VAL A 10 1.825 -5.548 -6.145 1.00 34.21 C ATOM 115 C VAL A 10 0.524 -4.863 -5.742 1.00 11.41 C ATOM 116 O VAL A 10 0.428 -3.635 -5.753 1.00 31.31 O ATOM 117 CB VAL A 10 2.969 -5.010 -5.266 1.00 64.11 C ATOM 118 CG1 VAL A 10 2.690 -5.287 -3.797 1.00 1.53 C ATOM 119 CG2 VAL A 10 4.297 -5.620 -5.689 1.00 21.50 C ATOM 0 H VAL A 10 2.991 -4.886 -7.756 1.00 41.51 H new ATOM 0 HA VAL A 10 1.731 -6.622 -5.987 1.00 34.21 H new ATOM 0 HB VAL A 10 3.031 -3.930 -5.402 1.00 64.11 H new ATOM 0 HG11 VAL A 10 3.509 -4.900 -3.192 1.00 1.53 H new ATOM 0 HG12 VAL A 10 1.760 -4.798 -3.505 1.00 1.53 H new ATOM 0 HG13 VAL A 10 2.600 -6.362 -3.640 1.00 1.53 H new ATOM 0 HG21 VAL A 10 5.095 -5.229 -5.057 1.00 21.50 H new ATOM 0 HG22 VAL A 10 4.249 -6.704 -5.584 1.00 21.50 H new ATOM 0 HG23 VAL A 10 4.500 -5.365 -6.729 1.00 21.50 H new ATOM 129 N ARG A 11 -0.475 -5.664 -5.386 1.00 10.43 N ATOM 130 CA ARG A 11 -1.771 -5.134 -4.979 1.00 72.14 C ATOM 131 C ARG A 11 -1.647 -4.320 -3.695 1.00 35.13 C ATOM 132 O ARG A 11 -0.808 -4.611 -2.843 1.00 1.35 O ATOM 133 CB ARG A 11 -2.772 -6.274 -4.779 1.00 44.02 C ATOM 134 CG ARG A 11 -4.180 -5.937 -5.242 1.00 4.11 C ATOM 135 CD ARG A 11 -5.007 -5.337 -4.116 1.00 52.42 C ATOM 136 NE ARG A 11 -5.859 -6.333 -3.472 1.00 2.23 N ATOM 137 CZ ARG A 11 -6.943 -6.851 -4.039 1.00 5.21 C ATOM 138 NH1 ARG A 11 -7.305 -6.469 -5.256 1.00 24.11 N ATOM 139 NH2 ARG A 11 -7.666 -7.753 -3.389 1.00 13.03 N ATOM 0 H ARG A 11 -0.412 -6.682 -5.371 1.00 10.43 H new ATOM 0 HA ARG A 11 -2.132 -4.478 -5.771 1.00 72.14 H new ATOM 0 HB2 ARG A 11 -2.421 -7.153 -5.320 1.00 44.02 H new ATOM 0 HB3 ARG A 11 -2.800 -6.540 -3.722 1.00 44.02 H new ATOM 0 HG2 ARG A 11 -4.132 -5.235 -6.074 1.00 4.11 H new ATOM 0 HG3 ARG A 11 -4.668 -6.838 -5.613 1.00 4.11 H new ATOM 0 HD2 ARG A 11 -4.342 -4.894 -3.374 1.00 52.42 H new ATOM 0 HD3 ARG A 11 -5.626 -4.531 -4.510 1.00 52.42 H new ATOM 0 HE ARG A 11 -5.608 -6.648 -2.535 1.00 2.23 H new ATOM 0 HH11 ARG A 11 -6.751 -5.776 -5.759 1.00 24.11 H new ATOM 0 HH12 ARG A 11 -8.138 -6.868 -5.689 1.00 24.11 H new ATOM 0 HH21 ARG A 11 -7.390 -8.050 -2.453 1.00 13.03 H new ATOM 0 HH22 ARG A 11 -8.498 -8.150 -3.825 1.00 13.03 H new ATOM 153 N ARG A 12 -2.489 -3.300 -3.564 1.00 2.34 N ATOM 154 CA ARG A 12 -2.472 -2.443 -2.384 1.00 54.32 C ATOM 155 C ARG A 12 -3.800 -2.522 -1.636 1.00 21.10 C ATOM 156 O ARG A 12 -4.836 -2.881 -2.196 1.00 62.11 O ATOM 157 CB ARG A 12 -2.186 -0.994 -2.784 1.00 60.21 C ATOM 158 CG ARG A 12 -2.922 -0.551 -4.038 1.00 33.41 C ATOM 159 CD ARG A 12 -2.099 -0.814 -5.289 1.00 50.42 C ATOM 160 NE ARG A 12 -1.354 0.369 -5.712 1.00 55.43 N ATOM 161 CZ ARG A 12 -1.929 1.465 -6.197 1.00 23.21 C ATOM 162 NH1 ARG A 12 -3.247 1.527 -6.319 1.00 15.53 N ATOM 163 NH2 ARG A 12 -1.183 2.501 -6.560 1.00 75.35 N ATOM 0 H ARG A 12 -3.191 -3.047 -4.260 1.00 2.34 H new ATOM 0 HA ARG A 12 -1.680 -2.794 -1.722 1.00 54.32 H new ATOM 0 HB2 ARG A 12 -2.463 -0.337 -1.959 1.00 60.21 H new ATOM 0 HB3 ARG A 12 -1.114 -0.874 -2.941 1.00 60.21 H new ATOM 0 HG2 ARG A 12 -3.873 -1.079 -4.109 1.00 33.41 H new ATOM 0 HG3 ARG A 12 -3.152 0.512 -3.970 1.00 33.41 H new ATOM 0 HD2 ARG A 12 -1.404 -1.632 -5.100 1.00 50.42 H new ATOM 0 HD3 ARG A 12 -2.758 -1.135 -6.096 1.00 50.42 H new ATOM 0 HE ARG A 12 -0.337 0.353 -5.631 1.00 55.43 H new ATOM 0 HH11 ARG A 12 -3.823 0.733 -6.040 1.00 15.53 H new ATOM 0 HH12 ARG A 12 -3.686 2.369 -6.691 1.00 15.53 H new ATOM 0 HH21 ARG A 12 -0.168 2.456 -6.467 1.00 75.35 H new ATOM 0 HH22 ARG A 12 -1.624 3.342 -6.932 1.00 75.35 H new ATOM 177 N PRO A 13 -3.770 -2.180 -0.339 1.00 50.04 N ATOM 178 CA PRO A 13 -4.962 -2.204 0.513 1.00 31.44 C ATOM 179 C PRO A 13 -5.960 -1.111 0.147 1.00 44.12 C ATOM 180 O PRO A 13 -7.120 -1.153 0.557 1.00 63.22 O ATOM 181 CB PRO A 13 -4.399 -1.966 1.917 1.00 72.22 C ATOM 182 CG PRO A 13 -3.125 -1.228 1.693 1.00 3.24 C ATOM 183 CD PRO A 13 -2.570 -1.742 0.394 1.00 73.32 C ATOM 0 HA PRO A 13 -5.515 -3.138 0.413 1.00 31.44 H new ATOM 0 HB2 PRO A 13 -5.091 -1.386 2.528 1.00 72.22 H new ATOM 0 HB3 PRO A 13 -4.225 -2.907 2.439 1.00 72.22 H new ATOM 0 HG2 PRO A 13 -3.300 -0.153 1.644 1.00 3.24 H new ATOM 0 HG3 PRO A 13 -2.426 -1.400 2.511 1.00 3.24 H new ATOM 0 HD2 PRO A 13 -2.029 -0.966 -0.147 1.00 73.32 H new ATOM 0 HD3 PRO A 13 -1.873 -2.565 0.552 1.00 73.32 H new ATOM 191 N ARG A 14 -5.501 -0.133 -0.627 1.00 63.15 N ATOM 192 CA ARG A 14 -6.353 0.972 -1.048 1.00 53.05 C ATOM 193 C ARG A 14 -6.940 0.710 -2.433 1.00 25.34 C ATOM 194 O ARG A 14 -7.327 1.639 -3.141 1.00 75.00 O ATOM 195 CB ARG A 14 -5.561 2.281 -1.058 1.00 62.52 C ATOM 196 CG ARG A 14 -5.137 2.746 0.325 1.00 25.12 C ATOM 197 CD ARG A 14 -3.889 3.614 0.263 1.00 73.31 C ATOM 198 NE ARG A 14 -3.823 4.557 1.375 1.00 11.44 N ATOM 199 CZ ARG A 14 -3.427 4.225 2.599 1.00 60.41 C ATOM 200 NH1 ARG A 14 -3.063 2.978 2.865 1.00 34.33 N ATOM 201 NH2 ARG A 14 -3.394 5.140 3.559 1.00 44.02 N ATOM 0 H ARG A 14 -4.544 -0.084 -0.975 1.00 63.15 H new ATOM 0 HA ARG A 14 -7.173 1.057 -0.335 1.00 53.05 H new ATOM 0 HB2 ARG A 14 -4.673 2.154 -1.678 1.00 62.52 H new ATOM 0 HB3 ARG A 14 -6.166 3.059 -1.524 1.00 62.52 H new ATOM 0 HG2 ARG A 14 -5.949 3.308 0.786 1.00 25.12 H new ATOM 0 HG3 ARG A 14 -4.948 1.880 0.959 1.00 25.12 H new ATOM 0 HD2 ARG A 14 -3.004 2.978 0.274 1.00 73.31 H new ATOM 0 HD3 ARG A 14 -3.875 4.163 -0.679 1.00 73.31 H new ATOM 0 HE ARG A 14 -4.096 5.525 1.203 1.00 11.44 H new ATOM 0 HH11 ARG A 14 -3.087 2.272 2.129 1.00 34.33 H new ATOM 0 HH12 ARG A 14 -2.759 2.725 3.805 1.00 34.33 H new ATOM 0 HH21 ARG A 14 -3.673 6.100 3.358 1.00 44.02 H new ATOM 0 HH22 ARG A 14 -3.090 4.883 4.498 1.00 44.02 H new ATOM 215 N LYS A 15 -7.001 -0.562 -2.812 1.00 64.12 N ATOM 216 CA LYS A 15 -7.540 -0.949 -4.111 1.00 3.43 C ATOM 217 C LYS A 15 -8.952 -0.403 -4.297 1.00 70.55 C ATOM 218 O LYS A 15 -9.716 -0.292 -3.339 1.00 40.32 O ATOM 219 CB LYS A 15 -7.547 -2.473 -4.250 1.00 13.43 C ATOM 220 CG LYS A 15 -7.557 -2.952 -5.691 1.00 5.20 C ATOM 221 CD LYS A 15 -6.234 -2.666 -6.382 1.00 62.21 C ATOM 222 CE LYS A 15 -6.431 -2.365 -7.860 1.00 23.11 C ATOM 223 NZ LYS A 15 -6.693 -3.601 -8.648 1.00 22.33 N ATOM 0 H LYS A 15 -6.684 -1.343 -2.238 1.00 64.12 H new ATOM 0 HA LYS A 15 -6.900 -0.524 -4.884 1.00 3.43 H new ATOM 0 HB2 LYS A 15 -6.670 -2.879 -3.747 1.00 13.43 H new ATOM 0 HB3 LYS A 15 -8.422 -2.872 -3.737 1.00 13.43 H new ATOM 0 HG2 LYS A 15 -7.759 -4.023 -5.718 1.00 5.20 H new ATOM 0 HG3 LYS A 15 -8.365 -2.461 -6.233 1.00 5.20 H new ATOM 0 HD2 LYS A 15 -5.746 -1.820 -5.899 1.00 62.21 H new ATOM 0 HD3 LYS A 15 -5.571 -3.524 -6.269 1.00 62.21 H new ATOM 0 HE2 LYS A 15 -7.265 -1.673 -7.982 1.00 23.11 H new ATOM 0 HE3 LYS A 15 -5.544 -1.867 -8.250 1.00 23.11 H new ATOM 0 HZ1 LYS A 15 -6.822 -3.353 -9.650 1.00 22.33 H new ATOM 0 HZ2 LYS A 15 -5.887 -4.251 -8.553 1.00 22.33 H new ATOM 0 HZ3 LYS A 15 -7.554 -4.063 -8.292 1.00 22.33 H new ATOM 237 N ALA A 16 -9.292 -0.067 -5.537 1.00 74.13 N ATOM 238 CA ALA A 16 -10.614 0.463 -5.850 1.00 20.34 C ATOM 239 C ALA A 16 -11.680 -0.622 -5.738 1.00 54.40 C ATOM 240 O ALA A 16 -12.717 -0.425 -5.103 1.00 40.24 O ATOM 241 CB ALA A 16 -10.622 1.072 -7.244 1.00 13.45 C ATOM 0 H ALA A 16 -8.671 -0.152 -6.341 1.00 74.13 H new ATOM 0 HA ALA A 16 -10.848 1.242 -5.124 1.00 20.34 H new ATOM 0 HB1 ALA A 16 -11.615 1.464 -7.464 1.00 13.45 H new ATOM 0 HB2 ALA A 16 -9.894 1.882 -7.291 1.00 13.45 H new ATOM 0 HB3 ALA A 16 -10.363 0.308 -7.977 1.00 13.45 H new ATOM 247 N LYS A 17 -11.420 -1.767 -6.359 1.00 53.13 N ATOM 248 CA LYS A 17 -12.357 -2.884 -6.330 1.00 12.20 C ATOM 249 C LYS A 17 -12.607 -3.347 -4.898 1.00 52.32 C ATOM 250 O LYS A 17 -13.655 -3.917 -4.593 1.00 63.20 O ATOM 251 CB LYS A 17 -11.822 -4.047 -7.167 1.00 62.44 C ATOM 252 CG LYS A 17 -12.908 -4.977 -7.682 1.00 5.33 C ATOM 253 CD LYS A 17 -13.542 -4.442 -8.954 1.00 54.14 C ATOM 254 CE LYS A 17 -14.637 -5.368 -9.463 1.00 2.20 C ATOM 255 NZ LYS A 17 -14.924 -5.146 -10.907 1.00 62.44 N ATOM 0 H LYS A 17 -10.567 -1.946 -6.889 1.00 53.13 H new ATOM 0 HA LYS A 17 -13.302 -2.544 -6.754 1.00 12.20 H new ATOM 0 HB2 LYS A 17 -11.265 -3.648 -8.015 1.00 62.44 H new ATOM 0 HB3 LYS A 17 -11.118 -4.622 -6.566 1.00 62.44 H new ATOM 0 HG2 LYS A 17 -12.484 -5.963 -7.872 1.00 5.33 H new ATOM 0 HG3 LYS A 17 -13.674 -5.102 -6.917 1.00 5.33 H new ATOM 0 HD2 LYS A 17 -13.959 -3.453 -8.766 1.00 54.14 H new ATOM 0 HD3 LYS A 17 -12.777 -4.325 -9.722 1.00 54.14 H new ATOM 0 HE2 LYS A 17 -14.338 -6.404 -9.307 1.00 2.20 H new ATOM 0 HE3 LYS A 17 -15.546 -5.208 -8.883 1.00 2.20 H new ATOM 0 HZ1 LYS A 17 -15.675 -5.796 -11.216 1.00 62.44 H new ATOM 0 HZ2 LYS A 17 -15.234 -4.164 -11.052 1.00 62.44 H new ATOM 0 HZ3 LYS A 17 -14.063 -5.323 -11.463 1.00 62.44 H new ATOM 269 N LYS A 18 -11.640 -3.096 -4.023 1.00 25.32 N ATOM 270 CA LYS A 18 -11.755 -3.485 -2.622 1.00 40.51 C ATOM 271 C LYS A 18 -12.674 -2.529 -1.867 1.00 25.42 C ATOM 272 O LYS A 18 -12.524 -1.310 -1.954 1.00 73.42 O ATOM 273 CB LYS A 18 -10.374 -3.509 -1.963 1.00 31.21 C ATOM 274 CG LYS A 18 -10.395 -3.999 -0.525 1.00 70.14 C ATOM 275 CD LYS A 18 -10.467 -5.515 -0.454 1.00 21.21 C ATOM 276 CE LYS A 18 -9.090 -6.146 -0.599 1.00 15.11 C ATOM 277 NZ LYS A 18 -8.261 -5.954 0.623 1.00 60.01 N ATOM 0 H LYS A 18 -10.767 -2.625 -4.259 1.00 25.32 H new ATOM 0 HA LYS A 18 -12.187 -4.485 -2.582 1.00 40.51 H new ATOM 0 HB2 LYS A 18 -9.713 -4.150 -2.547 1.00 31.21 H new ATOM 0 HB3 LYS A 18 -9.950 -2.505 -1.990 1.00 31.21 H new ATOM 0 HG2 LYS A 18 -9.500 -3.652 -0.008 1.00 70.14 H new ATOM 0 HG3 LYS A 18 -11.251 -3.568 -0.005 1.00 70.14 H new ATOM 0 HD2 LYS A 18 -10.908 -5.815 0.497 1.00 21.21 H new ATOM 0 HD3 LYS A 18 -11.123 -5.886 -1.241 1.00 21.21 H new ATOM 0 HE2 LYS A 18 -9.198 -7.212 -0.801 1.00 15.11 H new ATOM 0 HE3 LYS A 18 -8.579 -5.709 -1.457 1.00 15.11 H new ATOM 0 HZ1 LYS A 18 -7.446 -6.599 0.594 1.00 60.01 H new ATOM 0 HZ2 LYS A 18 -7.924 -4.971 0.663 1.00 60.01 H new ATOM 0 HZ3 LYS A 18 -8.834 -6.158 1.467 1.00 60.01 H new ATOM 291 N ASP A 19 -13.622 -3.091 -1.125 1.00 2.30 N ATOM 292 CA ASP A 19 -14.563 -2.289 -0.352 1.00 10.40 C ATOM 293 C ASP A 19 -13.828 -1.403 0.649 1.00 1.12 C ATOM 294 O ASP A 19 -12.710 -1.697 1.072 1.00 64.52 O ATOM 295 CB ASP A 19 -15.555 -3.193 0.381 1.00 53.03 C ATOM 296 CG ASP A 19 -14.878 -4.374 1.049 1.00 53.44 C ATOM 297 OD1 ASP A 19 -14.158 -4.158 2.045 1.00 3.12 O ATOM 298 OD2 ASP A 19 -15.068 -5.513 0.574 1.00 34.43 O ATOM 0 H ASP A 19 -13.759 -4.098 -1.043 1.00 2.30 H new ATOM 0 HA ASP A 19 -15.110 -1.648 -1.044 1.00 10.40 H new ATOM 0 HB2 ASP A 19 -16.087 -2.610 1.133 1.00 53.03 H new ATOM 0 HB3 ASP A 19 -16.301 -3.557 -0.326 1.00 53.03 H new ATOM 303 N PRO A 20 -14.469 -0.291 1.038 1.00 42.40 N ATOM 304 CA PRO A 20 -13.894 0.661 1.993 1.00 12.15 C ATOM 305 C PRO A 20 -13.821 0.092 3.406 1.00 33.32 C ATOM 306 O PRO A 20 -12.830 0.279 4.111 1.00 53.25 O ATOM 307 CB PRO A 20 -14.864 1.844 1.943 1.00 35.11 C ATOM 308 CG PRO A 20 -16.159 1.253 1.501 1.00 1.45 C ATOM 309 CD PRO A 20 -15.804 0.123 0.575 1.00 0.41 C ATOM 0 HA PRO A 20 -12.867 0.923 1.738 1.00 12.15 H new ATOM 0 HB2 PRO A 20 -14.959 2.320 2.919 1.00 35.11 H new ATOM 0 HB3 PRO A 20 -14.520 2.609 1.247 1.00 35.11 H new ATOM 0 HG2 PRO A 20 -16.735 0.893 2.354 1.00 1.45 H new ATOM 0 HG3 PRO A 20 -16.774 1.996 0.992 1.00 1.45 H new ATOM 0 HD2 PRO A 20 -16.524 -0.693 0.642 1.00 0.41 H new ATOM 0 HD3 PRO A 20 -15.786 0.447 -0.466 1.00 0.41 H new ATOM 317 N ASN A 21 -14.877 -0.605 3.814 1.00 53.03 N ATOM 318 CA ASN A 21 -14.932 -1.202 5.143 1.00 14.12 C ATOM 319 C ASN A 21 -14.605 -0.169 6.217 1.00 23.12 C ATOM 320 O ASN A 21 -13.819 -0.433 7.127 1.00 44.54 O ATOM 321 CB ASN A 21 -13.959 -2.379 5.237 1.00 11.33 C ATOM 322 CG ASN A 21 -14.446 -3.457 6.186 1.00 61.22 C ATOM 323 OD1 ASN A 21 -14.952 -4.494 5.757 1.00 63.41 O ATOM 324 ND2 ASN A 21 -14.295 -3.216 7.483 1.00 72.10 N ATOM 0 H ASN A 21 -15.706 -0.770 3.243 1.00 53.03 H new ATOM 0 HA ASN A 21 -15.946 -1.564 5.310 1.00 14.12 H new ATOM 0 HB2 ASN A 21 -13.816 -2.809 4.246 1.00 11.33 H new ATOM 0 HB3 ASN A 21 -12.986 -2.017 5.571 1.00 11.33 H new ATOM 0 HD21 ASN A 21 -14.604 -3.905 8.169 1.00 72.10 H new ATOM 0 HD22 ASN A 21 -13.870 -2.342 7.793 1.00 72.10 H new ATOM 331 N ALA A 22 -15.214 1.007 6.105 1.00 65.20 N ATOM 332 CA ALA A 22 -14.989 2.078 7.067 1.00 1.33 C ATOM 333 C ALA A 22 -16.196 2.256 7.982 1.00 3.43 C ATOM 334 O ALA A 22 -17.308 1.827 7.674 1.00 64.20 O ATOM 335 CB ALA A 22 -14.676 3.380 6.344 1.00 24.13 C ATOM 0 H ALA A 22 -15.867 1.242 5.357 1.00 65.20 H new ATOM 0 HA ALA A 22 -14.134 1.804 7.685 1.00 1.33 H new ATOM 0 HB1 ALA A 22 -14.510 4.171 7.075 1.00 24.13 H new ATOM 0 HB2 ALA A 22 -13.779 3.253 5.737 1.00 24.13 H new ATOM 0 HB3 ALA A 22 -15.514 3.650 5.701 1.00 24.13 H new ATOM 341 N PRO A 23 -15.974 2.904 9.136 1.00 53.13 N ATOM 342 CA PRO A 23 -17.032 3.153 10.119 1.00 13.53 C ATOM 343 C PRO A 23 -18.052 4.175 9.628 1.00 42.34 C ATOM 344 O PRO A 23 -17.719 5.083 8.865 1.00 22.03 O ATOM 345 CB PRO A 23 -16.270 3.698 11.330 1.00 51.43 C ATOM 346 CG PRO A 23 -15.027 4.290 10.760 1.00 54.22 C ATOM 347 CD PRO A 23 -14.674 3.444 9.568 1.00 32.43 C ATOM 0 HA PRO A 23 -17.611 2.254 10.331 1.00 13.53 H new ATOM 0 HB2 PRO A 23 -16.857 4.446 11.863 1.00 51.43 H new ATOM 0 HB3 PRO A 23 -16.041 2.906 12.043 1.00 51.43 H new ATOM 0 HG2 PRO A 23 -15.187 5.328 10.468 1.00 54.22 H new ATOM 0 HG3 PRO A 23 -14.221 4.286 11.494 1.00 54.22 H new ATOM 0 HD2 PRO A 23 -14.203 4.034 8.782 1.00 32.43 H new ATOM 0 HD3 PRO A 23 -13.976 2.649 9.832 1.00 32.43 H new ATOM 355 N LYS A 24 -19.296 4.022 10.069 1.00 42.52 N ATOM 356 CA LYS A 24 -20.365 4.933 9.676 1.00 62.34 C ATOM 357 C LYS A 24 -20.885 5.713 10.879 1.00 40.05 C ATOM 358 O LYS A 24 -22.028 6.170 10.887 1.00 51.04 O ATOM 359 CB LYS A 24 -21.511 4.155 9.024 1.00 2.13 C ATOM 360 CG LYS A 24 -21.300 3.887 7.544 1.00 30.12 C ATOM 361 CD LYS A 24 -20.501 2.615 7.316 1.00 32.43 C ATOM 362 CE LYS A 24 -19.837 2.611 5.948 1.00 1.21 C ATOM 363 NZ LYS A 24 -19.638 1.229 5.431 1.00 33.23 N ATOM 0 H LYS A 24 -19.589 3.275 10.699 1.00 42.52 H new ATOM 0 HA LYS A 24 -19.958 5.642 8.955 1.00 62.34 H new ATOM 0 HB2 LYS A 24 -21.635 3.204 9.543 1.00 2.13 H new ATOM 0 HB3 LYS A 24 -22.438 4.713 9.155 1.00 2.13 H new ATOM 0 HG2 LYS A 24 -22.267 3.805 7.047 1.00 30.12 H new ATOM 0 HG3 LYS A 24 -20.779 4.731 7.091 1.00 30.12 H new ATOM 0 HD2 LYS A 24 -19.741 2.518 8.091 1.00 32.43 H new ATOM 0 HD3 LYS A 24 -21.159 1.750 7.405 1.00 32.43 H new ATOM 0 HE2 LYS A 24 -20.449 3.177 5.246 1.00 1.21 H new ATOM 0 HE3 LYS A 24 -18.874 3.117 6.011 1.00 1.21 H new ATOM 0 HZ1 LYS A 24 -19.183 1.270 4.497 1.00 33.23 H new ATOM 0 HZ2 LYS A 24 -19.033 0.696 6.088 1.00 33.23 H new ATOM 0 HZ3 LYS A 24 -20.559 0.754 5.347 1.00 33.23 H new ATOM 377 N ARG A 25 -20.038 5.863 11.892 1.00 74.10 N ATOM 378 CA ARG A 25 -20.413 6.588 13.100 1.00 52.53 C ATOM 379 C ARG A 25 -20.111 8.077 12.955 1.00 2.15 C ATOM 380 O ARG A 25 -19.128 8.462 12.322 1.00 15.53 O ATOM 381 CB ARG A 25 -19.672 6.022 14.312 1.00 63.53 C ATOM 382 CG ARG A 25 -19.887 6.821 15.586 1.00 0.22 C ATOM 383 CD ARG A 25 -21.333 6.751 16.050 1.00 33.25 C ATOM 384 NE ARG A 25 -21.692 5.417 16.525 1.00 64.33 N ATOM 385 CZ ARG A 25 -21.338 4.939 17.713 1.00 42.52 C ATOM 386 NH1 ARG A 25 -20.620 5.684 18.543 1.00 73.20 N ATOM 387 NH2 ARG A 25 -21.702 3.715 18.073 1.00 51.42 N ATOM 0 H ARG A 25 -19.088 5.492 11.900 1.00 74.10 H new ATOM 0 HA ARG A 25 -21.486 6.465 13.250 1.00 52.53 H new ATOM 0 HB2 ARG A 25 -19.997 4.995 14.478 1.00 63.53 H new ATOM 0 HB3 ARG A 25 -18.605 5.987 14.091 1.00 63.53 H new ATOM 0 HG2 ARG A 25 -19.233 6.440 16.370 1.00 0.22 H new ATOM 0 HG3 ARG A 25 -19.608 7.861 15.416 1.00 0.22 H new ATOM 0 HD2 ARG A 25 -21.493 7.475 16.849 1.00 33.25 H new ATOM 0 HD3 ARG A 25 -21.991 7.032 15.228 1.00 33.25 H new ATOM 0 HE ARG A 25 -22.245 4.819 15.911 1.00 64.33 H new ATOM 0 HH11 ARG A 25 -20.339 6.626 18.270 1.00 73.20 H new ATOM 0 HH12 ARG A 25 -20.349 5.315 19.455 1.00 73.20 H new ATOM 0 HH21 ARG A 25 -22.254 3.140 17.437 1.00 51.42 H new ATOM 0 HH22 ARG A 25 -21.429 3.349 18.985 1.00 51.42 H new ATOM 401 N ALA A 26 -20.962 8.909 13.547 1.00 72.41 N ATOM 402 CA ALA A 26 -20.785 10.354 13.486 1.00 54.23 C ATOM 403 C ALA A 26 -19.936 10.853 14.650 1.00 52.22 C ATOM 404 O ALA A 26 -19.724 10.136 15.629 1.00 45.33 O ATOM 405 CB ALA A 26 -22.138 11.052 13.479 1.00 23.53 C ATOM 0 H ALA A 26 -21.781 8.606 14.074 1.00 72.41 H new ATOM 0 HA ALA A 26 -20.261 10.592 12.560 1.00 54.23 H new ATOM 0 HB1 ALA A 26 -21.991 12.131 13.433 1.00 23.53 H new ATOM 0 HB2 ALA A 26 -22.711 10.727 12.610 1.00 23.53 H new ATOM 0 HB3 ALA A 26 -22.683 10.799 14.388 1.00 23.53 H new ATOM 411 N LEU A 27 -19.452 12.085 14.538 1.00 54.25 N ATOM 412 CA LEU A 27 -18.625 12.680 15.581 1.00 1.42 C ATOM 413 C LEU A 27 -19.370 12.719 16.911 1.00 34.14 C ATOM 414 O LEU A 27 -20.509 13.181 16.983 1.00 1.42 O ATOM 415 CB LEU A 27 -18.202 14.094 15.180 1.00 43.44 C ATOM 416 CG LEU A 27 -16.920 14.202 14.352 1.00 12.15 C ATOM 417 CD1 LEU A 27 -16.904 13.150 13.254 1.00 0.50 C ATOM 418 CD2 LEU A 27 -16.783 15.597 13.760 1.00 54.00 C ATOM 0 H LEU A 27 -19.618 12.691 13.735 1.00 54.25 H new ATOM 0 HA LEU A 27 -17.736 12.061 15.701 1.00 1.42 H new ATOM 0 HB2 LEU A 27 -19.015 14.548 14.614 1.00 43.44 H new ATOM 0 HB3 LEU A 27 -18.076 14.685 16.087 1.00 43.44 H new ATOM 0 HG LEU A 27 -16.069 14.024 15.010 1.00 12.15 H new ATOM 0 HD11 LEU A 27 -15.985 13.242 12.675 1.00 0.50 H new ATOM 0 HD12 LEU A 27 -16.954 12.157 13.701 1.00 0.50 H new ATOM 0 HD13 LEU A 27 -17.762 13.296 12.598 1.00 0.50 H new ATOM 0 HD21 LEU A 27 -15.866 15.655 13.174 1.00 54.00 H new ATOM 0 HD22 LEU A 27 -17.638 15.805 13.117 1.00 54.00 H new ATOM 0 HD23 LEU A 27 -16.747 16.332 14.564 1.00 54.00 H new ATOM 430 N SER A 28 -18.720 12.232 17.963 1.00 64.40 N ATOM 431 CA SER A 28 -19.321 12.209 19.291 1.00 34.20 C ATOM 432 C SER A 28 -19.857 13.587 19.668 1.00 20.45 C ATOM 433 O SER A 28 -19.560 14.582 19.009 1.00 45.40 O ATOM 434 CB SER A 28 -18.298 11.745 20.330 1.00 74.43 C ATOM 435 OG SER A 28 -18.843 11.789 21.637 1.00 32.31 O ATOM 0 H SER A 28 -17.776 11.848 17.921 1.00 64.40 H new ATOM 0 HA SER A 28 -20.154 11.506 19.274 1.00 34.20 H new ATOM 0 HB2 SER A 28 -17.977 10.729 20.100 1.00 74.43 H new ATOM 0 HB3 SER A 28 -17.412 12.378 20.281 1.00 74.43 H new ATOM 0 HG SER A 28 -18.427 11.094 22.188 1.00 32.31 H new ATOM 441 N SER A 29 -20.649 13.635 20.735 1.00 71.22 N ATOM 442 CA SER A 29 -21.230 14.889 21.199 1.00 33.02 C ATOM 443 C SER A 29 -20.184 15.742 21.911 1.00 34.30 C ATOM 444 O SER A 29 -19.818 16.818 21.438 1.00 61.30 O ATOM 445 CB SER A 29 -22.406 14.614 22.139 1.00 61.22 C ATOM 446 OG SER A 29 -22.828 15.800 22.788 1.00 11.34 O ATOM 0 H SER A 29 -20.903 12.820 21.294 1.00 71.22 H new ATOM 0 HA SER A 29 -21.590 15.438 20.329 1.00 33.02 H new ATOM 0 HB2 SER A 29 -23.236 14.190 21.574 1.00 61.22 H new ATOM 0 HB3 SER A 29 -22.115 13.872 22.883 1.00 61.22 H new ATOM 0 HG SER A 29 -22.459 15.825 23.696 1.00 11.34 H new ATOM 452 N TYR A 30 -19.708 15.253 23.051 1.00 71.04 N ATOM 453 CA TYR A 30 -18.706 15.970 23.830 1.00 12.23 C ATOM 454 C TYR A 30 -17.305 15.712 23.285 1.00 3.24 C ATOM 455 O TYR A 30 -16.448 16.595 23.303 1.00 42.20 O ATOM 456 CB TYR A 30 -18.779 15.553 25.300 1.00 2.11 C ATOM 457 CG TYR A 30 -19.935 16.175 26.050 1.00 51.43 C ATOM 458 CD1 TYR A 30 -21.205 15.615 25.996 1.00 75.13 C ATOM 459 CD2 TYR A 30 -19.758 17.324 26.811 1.00 62.01 C ATOM 460 CE1 TYR A 30 -22.265 16.180 26.678 1.00 12.34 C ATOM 461 CE2 TYR A 30 -20.811 17.895 27.498 1.00 53.30 C ATOM 462 CZ TYR A 30 -22.063 17.320 27.428 1.00 20.04 C ATOM 463 OH TYR A 30 -23.115 17.887 28.110 1.00 33.12 O ATOM 0 H TYR A 30 -20.000 14.363 23.456 1.00 71.04 H new ATOM 0 HA TYR A 30 -18.916 17.037 23.751 1.00 12.23 H new ATOM 0 HB2 TYR A 30 -18.862 14.468 25.357 1.00 2.11 H new ATOM 0 HB3 TYR A 30 -17.847 15.828 25.794 1.00 2.11 H new ATOM 0 HD1 TYR A 30 -21.367 14.722 25.410 1.00 75.13 H new ATOM 0 HD2 TYR A 30 -18.780 17.778 26.866 1.00 62.01 H new ATOM 0 HE1 TYR A 30 -23.246 15.732 26.624 1.00 12.34 H new ATOM 0 HE2 TYR A 30 -20.655 18.787 28.087 1.00 53.30 H new ATOM 0 HH TYR A 30 -22.803 18.683 28.589 1.00 33.12 H new ATOM 473 N MET A 31 -17.080 14.495 22.801 1.00 11.12 N ATOM 474 CA MET A 31 -15.784 14.120 22.249 1.00 45.11 C ATOM 475 C MET A 31 -15.573 14.754 20.877 1.00 21.35 C ATOM 476 O MET A 31 -14.499 14.636 20.287 1.00 51.33 O ATOM 477 CB MET A 31 -15.671 12.598 22.143 1.00 32.01 C ATOM 478 CG MET A 31 -14.449 12.029 22.844 1.00 23.44 C ATOM 479 SD MET A 31 -14.481 12.300 24.627 1.00 41.24 S ATOM 480 CE MET A 31 -15.946 11.377 25.083 1.00 15.43 C ATOM 0 H MET A 31 -17.778 13.752 22.780 1.00 11.12 H new ATOM 0 HA MET A 31 -15.010 14.488 22.923 1.00 45.11 H new ATOM 0 HB2 MET A 31 -16.567 12.145 22.567 1.00 32.01 H new ATOM 0 HB3 MET A 31 -15.640 12.317 21.090 1.00 32.01 H new ATOM 0 HG2 MET A 31 -14.386 10.959 22.644 1.00 23.44 H new ATOM 0 HG3 MET A 31 -13.551 12.485 22.427 1.00 23.44 H new ATOM 0 HE1 MET A 31 -15.922 11.160 26.151 1.00 15.43 H new ATOM 0 HE2 MET A 31 -16.834 11.966 24.852 1.00 15.43 H new ATOM 0 HE3 MET A 31 -15.976 10.442 24.524 1.00 15.43 H new ATOM 490 N PHE A 32 -16.604 15.425 20.376 1.00 14.11 N ATOM 491 CA PHE A 32 -16.532 16.076 19.073 1.00 12.22 C ATOM 492 C PHE A 32 -15.212 16.824 18.911 1.00 12.45 C ATOM 493 O PHE A 32 -14.666 16.913 17.811 1.00 35.33 O ATOM 494 CB PHE A 32 -17.705 17.044 18.897 1.00 24.53 C ATOM 495 CG PHE A 32 -17.502 18.363 19.586 1.00 20.43 C ATOM 496 CD1 PHE A 32 -17.469 18.439 20.969 1.00 33.14 C ATOM 497 CD2 PHE A 32 -17.344 19.526 18.851 1.00 4.21 C ATOM 498 CE1 PHE A 32 -17.284 19.652 21.606 1.00 62.41 C ATOM 499 CE2 PHE A 32 -17.157 20.742 19.482 1.00 33.10 C ATOM 500 CZ PHE A 32 -17.126 20.804 20.861 1.00 14.33 C ATOM 0 H PHE A 32 -17.500 15.532 20.852 1.00 14.11 H new ATOM 0 HA PHE A 32 -16.589 15.304 18.305 1.00 12.22 H new ATOM 0 HB2 PHE A 32 -17.864 17.220 17.833 1.00 24.53 H new ATOM 0 HB3 PHE A 32 -18.612 16.578 19.282 1.00 24.53 H new ATOM 0 HD1 PHE A 32 -17.589 17.541 21.556 1.00 33.14 H new ATOM 0 HD2 PHE A 32 -17.367 19.483 17.772 1.00 4.21 H new ATOM 0 HE1 PHE A 32 -17.263 19.699 22.685 1.00 62.41 H new ATOM 0 HE2 PHE A 32 -17.035 21.642 18.897 1.00 33.10 H new ATOM 0 HZ PHE A 32 -16.978 21.752 21.356 1.00 14.33 H new ATOM 510 N PHE A 33 -14.705 17.362 20.016 1.00 43.24 N ATOM 511 CA PHE A 33 -13.450 18.105 19.997 1.00 23.53 C ATOM 512 C PHE A 33 -12.348 17.293 19.322 1.00 3.13 C ATOM 513 O PHE A 33 -11.680 17.774 18.407 1.00 73.21 O ATOM 514 CB PHE A 33 -13.029 18.471 21.422 1.00 43.41 C ATOM 515 CG PHE A 33 -11.766 19.282 21.484 1.00 40.33 C ATOM 516 CD1 PHE A 33 -11.808 20.664 21.383 1.00 74.44 C ATOM 517 CD2 PHE A 33 -10.537 18.664 21.644 1.00 63.54 C ATOM 518 CE1 PHE A 33 -10.648 21.412 21.438 1.00 21.15 C ATOM 519 CE2 PHE A 33 -9.373 19.407 21.701 1.00 63.24 C ATOM 520 CZ PHE A 33 -9.429 20.783 21.599 1.00 63.11 C ATOM 0 H PHE A 33 -15.143 17.297 20.935 1.00 43.24 H new ATOM 0 HA PHE A 33 -13.606 19.020 19.425 1.00 23.53 H new ATOM 0 HB2 PHE A 33 -13.834 19.030 21.898 1.00 43.41 H new ATOM 0 HB3 PHE A 33 -12.893 17.556 21.998 1.00 43.41 H new ATOM 0 HD1 PHE A 33 -12.759 21.162 21.260 1.00 74.44 H new ATOM 0 HD2 PHE A 33 -10.488 17.588 21.725 1.00 63.54 H new ATOM 0 HE1 PHE A 33 -10.694 22.488 21.355 1.00 21.15 H new ATOM 0 HE2 PHE A 33 -8.421 18.912 21.825 1.00 63.24 H new ATOM 0 HZ PHE A 33 -8.521 21.366 21.645 1.00 63.11 H new ATOM 530 N ALA A 34 -12.163 16.060 19.782 1.00 30.11 N ATOM 531 CA ALA A 34 -11.144 15.181 19.223 1.00 62.22 C ATOM 532 C ALA A 34 -11.661 14.461 17.982 1.00 22.51 C ATOM 533 O ALA A 34 -10.944 14.315 16.992 1.00 41.23 O ATOM 534 CB ALA A 34 -10.685 14.174 20.267 1.00 65.11 C ATOM 0 H ALA A 34 -12.706 15.647 20.541 1.00 30.11 H new ATOM 0 HA ALA A 34 -10.293 15.794 18.927 1.00 62.22 H new ATOM 0 HB1 ALA A 34 -9.924 13.524 19.836 1.00 65.11 H new ATOM 0 HB2 ALA A 34 -10.267 14.703 21.124 1.00 65.11 H new ATOM 0 HB3 ALA A 34 -11.535 13.573 20.591 1.00 65.11 H new ATOM 540 N LYS A 35 -12.909 14.010 18.042 1.00 14.23 N ATOM 541 CA LYS A 35 -13.524 13.305 16.924 1.00 62.02 C ATOM 542 C LYS A 35 -13.535 14.176 15.672 1.00 62.15 C ATOM 543 O LYS A 35 -13.640 13.670 14.555 1.00 45.44 O ATOM 544 CB LYS A 35 -14.952 12.887 17.280 1.00 13.51 C ATOM 545 CG LYS A 35 -15.037 11.990 18.502 1.00 24.52 C ATOM 546 CD LYS A 35 -14.169 10.752 18.346 1.00 71.13 C ATOM 547 CE LYS A 35 -14.588 9.926 17.139 1.00 51.51 C ATOM 548 NZ LYS A 35 -14.751 8.486 17.481 1.00 4.32 N ATOM 0 H LYS A 35 -13.515 14.120 18.855 1.00 14.23 H new ATOM 0 HA LYS A 35 -12.932 12.413 16.720 1.00 62.02 H new ATOM 0 HB2 LYS A 35 -15.551 13.781 17.454 1.00 13.51 H new ATOM 0 HB3 LYS A 35 -15.393 12.369 16.428 1.00 13.51 H new ATOM 0 HG2 LYS A 35 -14.724 12.546 19.385 1.00 24.52 H new ATOM 0 HG3 LYS A 35 -16.073 11.691 18.664 1.00 24.52 H new ATOM 0 HD2 LYS A 35 -13.126 11.049 18.241 1.00 71.13 H new ATOM 0 HD3 LYS A 35 -14.238 10.142 19.247 1.00 71.13 H new ATOM 0 HE2 LYS A 35 -15.526 10.313 16.742 1.00 51.51 H new ATOM 0 HE3 LYS A 35 -13.842 10.030 16.351 1.00 51.51 H new ATOM 0 HZ1 LYS A 35 -14.516 7.904 16.652 1.00 4.32 H new ATOM 0 HZ2 LYS A 35 -14.115 8.242 18.267 1.00 4.32 H new ATOM 0 HZ3 LYS A 35 -15.736 8.305 17.763 1.00 4.32 H new ATOM 562 N GLU A 36 -13.425 15.486 15.866 1.00 4.34 N ATOM 563 CA GLU A 36 -13.421 16.426 14.752 1.00 54.15 C ATOM 564 C GLU A 36 -12.298 16.102 13.770 1.00 15.43 C ATOM 565 O GLU A 36 -12.367 16.454 12.592 1.00 21.23 O ATOM 566 CB GLU A 36 -13.268 17.860 15.264 1.00 20.43 C ATOM 567 CG GLU A 36 -13.277 18.905 14.162 1.00 73.25 C ATOM 568 CD GLU A 36 -11.885 19.385 13.801 1.00 61.11 C ATOM 569 OE1 GLU A 36 -11.049 19.521 14.719 1.00 42.02 O ATOM 570 OE2 GLU A 36 -11.631 19.625 12.602 1.00 32.51 O ATOM 0 H GLU A 36 -13.337 15.921 16.785 1.00 4.34 H new ATOM 0 HA GLU A 36 -14.374 16.335 14.231 1.00 54.15 H new ATOM 0 HB2 GLU A 36 -14.076 18.075 15.963 1.00 20.43 H new ATOM 0 HB3 GLU A 36 -12.335 17.940 15.821 1.00 20.43 H new ATOM 0 HG2 GLU A 36 -13.755 18.488 13.275 1.00 73.25 H new ATOM 0 HG3 GLU A 36 -13.880 19.756 14.479 1.00 73.25 H new ATOM 577 N LYS A 37 -11.264 15.430 14.265 1.00 53.43 N ATOM 578 CA LYS A 37 -10.126 15.058 13.434 1.00 63.43 C ATOM 579 C LYS A 37 -10.458 13.848 12.566 1.00 32.34 C ATOM 580 O LYS A 37 -9.679 13.466 11.693 1.00 73.41 O ATOM 581 CB LYS A 37 -8.908 14.752 14.309 1.00 61.04 C ATOM 582 CG LYS A 37 -8.986 13.408 15.011 1.00 22.25 C ATOM 583 CD LYS A 37 -8.206 13.414 16.315 1.00 5.23 C ATOM 584 CE LYS A 37 -7.058 12.416 16.283 1.00 13.13 C ATOM 585 NZ LYS A 37 -6.771 11.857 17.633 1.00 15.14 N ATOM 0 H LYS A 37 -11.191 15.132 15.238 1.00 53.43 H new ATOM 0 HA LYS A 37 -9.895 15.899 12.781 1.00 63.43 H new ATOM 0 HB2 LYS A 37 -8.011 14.778 13.690 1.00 61.04 H new ATOM 0 HB3 LYS A 37 -8.802 15.538 15.057 1.00 61.04 H new ATOM 0 HG2 LYS A 37 -10.029 13.161 15.211 1.00 22.25 H new ATOM 0 HG3 LYS A 37 -8.594 12.631 14.355 1.00 22.25 H new ATOM 0 HD2 LYS A 37 -7.815 14.414 16.502 1.00 5.23 H new ATOM 0 HD3 LYS A 37 -8.875 13.174 17.141 1.00 5.23 H new ATOM 0 HE2 LYS A 37 -7.302 11.604 15.598 1.00 13.13 H new ATOM 0 HE3 LYS A 37 -6.164 12.903 15.894 1.00 13.13 H new ATOM 0 HZ1 LYS A 37 -5.983 11.181 17.569 1.00 15.14 H new ATOM 0 HZ2 LYS A 37 -6.513 12.629 18.281 1.00 15.14 H new ATOM 0 HZ3 LYS A 37 -7.616 11.370 17.994 1.00 15.14 H new ATOM 599 N ARG A 38 -11.620 13.250 12.812 1.00 5.23 N ATOM 600 CA ARG A 38 -12.055 12.084 12.053 1.00 25.13 C ATOM 601 C ARG A 38 -11.946 12.340 10.553 1.00 43.10 C ATOM 602 O ARG A 38 -11.724 11.417 9.769 1.00 34.23 O ATOM 603 CB ARG A 38 -13.496 11.721 12.416 1.00 3.23 C ATOM 604 CG ARG A 38 -13.967 10.413 11.803 1.00 32.33 C ATOM 605 CD ARG A 38 -15.473 10.247 11.934 1.00 32.02 C ATOM 606 NE ARG A 38 -15.878 8.846 11.857 1.00 14.01 N ATOM 607 CZ ARG A 38 -15.757 7.989 12.865 1.00 40.31 C ATOM 608 NH1 ARG A 38 -15.245 8.389 14.021 1.00 71.21 N ATOM 609 NH2 ARG A 38 -16.149 6.730 12.718 1.00 44.03 N ATOM 0 H ARG A 38 -12.276 13.554 13.531 1.00 5.23 H new ATOM 0 HA ARG A 38 -11.402 11.250 12.310 1.00 25.13 H new ATOM 0 HB2 ARG A 38 -13.583 11.656 13.501 1.00 3.23 H new ATOM 0 HB3 ARG A 38 -14.157 12.524 12.090 1.00 3.23 H new ATOM 0 HG2 ARG A 38 -13.687 10.382 10.750 1.00 32.33 H new ATOM 0 HG3 ARG A 38 -13.464 9.579 12.292 1.00 32.33 H new ATOM 0 HD2 ARG A 38 -15.803 10.668 12.884 1.00 32.02 H new ATOM 0 HD3 ARG A 38 -15.970 10.812 11.145 1.00 32.02 H new ATOM 0 HE ARG A 38 -16.276 8.507 10.981 1.00 14.01 H new ATOM 0 HH11 ARG A 38 -14.943 9.356 14.138 1.00 71.21 H new ATOM 0 HH12 ARG A 38 -15.153 7.729 14.794 1.00 71.21 H new ATOM 0 HH21 ARG A 38 -16.544 6.419 11.830 1.00 44.03 H new ATOM 0 HH22 ARG A 38 -16.056 6.073 13.493 1.00 44.03 H new ATOM 623 N VAL A 39 -12.103 13.600 10.160 1.00 12.20 N ATOM 624 CA VAL A 39 -12.022 13.978 8.754 1.00 11.42 C ATOM 625 C VAL A 39 -10.713 13.506 8.133 1.00 44.23 C ATOM 626 O VAL A 39 -10.612 13.352 6.916 1.00 11.11 O ATOM 627 CB VAL A 39 -12.142 15.504 8.576 1.00 61.54 C ATOM 628 CG1 VAL A 39 -11.992 15.883 7.110 1.00 2.13 C ATOM 629 CG2 VAL A 39 -13.468 16.002 9.131 1.00 45.11 C ATOM 0 H VAL A 39 -12.287 14.376 10.795 1.00 12.20 H new ATOM 0 HA VAL A 39 -12.856 13.494 8.247 1.00 11.42 H new ATOM 0 HB VAL A 39 -11.338 15.983 9.135 1.00 61.54 H new ATOM 0 HG11 VAL A 39 -12.079 16.964 7.003 1.00 2.13 H new ATOM 0 HG12 VAL A 39 -11.015 15.560 6.749 1.00 2.13 H new ATOM 0 HG13 VAL A 39 -12.774 15.396 6.527 1.00 2.13 H new ATOM 0 HG21 VAL A 39 -13.536 17.082 8.997 1.00 45.11 H new ATOM 0 HG22 VAL A 39 -14.289 15.518 8.601 1.00 45.11 H new ATOM 0 HG23 VAL A 39 -13.531 15.763 10.193 1.00 45.11 H new ATOM 639 N GLU A 40 -9.712 13.278 8.977 1.00 25.22 N ATOM 640 CA GLU A 40 -8.407 12.823 8.510 1.00 53.14 C ATOM 641 C GLU A 40 -8.513 11.450 7.852 1.00 55.32 C ATOM 642 O GLU A 40 -7.690 11.088 7.011 1.00 50.10 O ATOM 643 CB GLU A 40 -7.415 12.768 9.673 1.00 44.13 C ATOM 644 CG GLU A 40 -5.994 13.134 9.278 1.00 42.50 C ATOM 645 CD GLU A 40 -5.240 11.970 8.666 1.00 25.12 C ATOM 646 OE1 GLU A 40 -5.329 10.851 9.214 1.00 40.25 O ATOM 647 OE2 GLU A 40 -4.560 12.178 7.639 1.00 2.03 O ATOM 0 H GLU A 40 -9.779 13.401 9.987 1.00 25.22 H new ATOM 0 HA GLU A 40 -8.047 13.536 7.768 1.00 53.14 H new ATOM 0 HB2 GLU A 40 -7.751 13.445 10.458 1.00 44.13 H new ATOM 0 HB3 GLU A 40 -7.418 11.763 10.095 1.00 44.13 H new ATOM 0 HG2 GLU A 40 -6.020 13.959 8.567 1.00 42.50 H new ATOM 0 HG3 GLU A 40 -5.456 13.488 10.158 1.00 42.50 H new ATOM 654 N ILE A 41 -9.532 10.691 8.241 1.00 12.43 N ATOM 655 CA ILE A 41 -9.747 9.359 7.690 1.00 45.33 C ATOM 656 C ILE A 41 -9.899 9.410 6.173 1.00 10.33 C ATOM 657 O ILE A 41 -9.715 8.405 5.487 1.00 64.22 O ATOM 658 CB ILE A 41 -10.994 8.692 8.298 1.00 54.23 C ATOM 659 CG1 ILE A 41 -12.261 9.418 7.841 1.00 54.14 C ATOM 660 CG2 ILE A 41 -10.902 8.681 9.816 1.00 14.43 C ATOM 661 CD1 ILE A 41 -13.110 8.609 6.885 1.00 31.32 C ATOM 0 H ILE A 41 -10.222 10.976 8.936 1.00 12.43 H new ATOM 0 HA ILE A 41 -8.868 8.766 7.945 1.00 45.33 H new ATOM 0 HB ILE A 41 -11.043 7.660 7.949 1.00 54.23 H new ATOM 0 HG12 ILE A 41 -12.858 9.675 8.716 1.00 54.14 H new ATOM 0 HG13 ILE A 41 -11.980 10.355 7.360 1.00 54.14 H new ATOM 0 HG21 ILE A 41 -11.791 8.206 10.231 1.00 14.43 H new ATOM 0 HG22 ILE A 41 -10.017 8.124 10.123 1.00 14.43 H new ATOM 0 HG23 ILE A 41 -10.832 9.705 10.184 1.00 14.43 H new ATOM 0 HD11 ILE A 41 -13.991 9.186 6.603 1.00 31.32 H new ATOM 0 HD12 ILE A 41 -12.530 8.374 5.993 1.00 31.32 H new ATOM 0 HD13 ILE A 41 -13.422 7.684 7.369 1.00 31.32 H new ATOM 673 N ILE A 42 -10.235 10.588 5.657 1.00 20.33 N ATOM 674 CA ILE A 42 -10.409 10.770 4.222 1.00 51.43 C ATOM 675 C ILE A 42 -9.198 10.255 3.451 1.00 13.11 C ATOM 676 O ILE A 42 -9.319 9.814 2.309 1.00 63.33 O ATOM 677 CB ILE A 42 -10.638 12.251 3.866 1.00 4.42 C ATOM 678 CG1 ILE A 42 -11.074 12.387 2.406 1.00 60.51 C ATOM 679 CG2 ILE A 42 -9.374 13.059 4.124 1.00 33.11 C ATOM 680 CD1 ILE A 42 -9.923 12.604 1.449 1.00 1.40 C ATOM 0 H ILE A 42 -10.392 11.430 6.211 1.00 20.33 H new ATOM 0 HA ILE A 42 -11.290 10.195 3.936 1.00 51.43 H new ATOM 0 HB ILE A 42 -11.433 12.643 4.500 1.00 4.42 H new ATOM 0 HG12 ILE A 42 -11.616 11.488 2.112 1.00 60.51 H new ATOM 0 HG13 ILE A 42 -11.770 13.221 2.319 1.00 60.51 H new ATOM 0 HG21 ILE A 42 -9.551 14.104 3.868 1.00 33.11 H new ATOM 0 HG22 ILE A 42 -9.103 12.985 5.177 1.00 33.11 H new ATOM 0 HG23 ILE A 42 -8.561 12.668 3.512 1.00 33.11 H new ATOM 0 HD11 ILE A 42 -10.307 12.692 0.432 1.00 1.40 H new ATOM 0 HD12 ILE A 42 -9.394 13.519 1.717 1.00 1.40 H new ATOM 0 HD13 ILE A 42 -9.238 11.758 1.507 1.00 1.40 H new ATOM 692 N ALA A 43 -8.032 10.313 4.085 1.00 2.12 N ATOM 693 CA ALA A 43 -6.799 9.849 3.461 1.00 31.20 C ATOM 694 C ALA A 43 -6.678 8.331 3.547 1.00 1.22 C ATOM 695 O ALA A 43 -6.444 7.661 2.542 1.00 20.44 O ATOM 696 CB ALA A 43 -5.595 10.514 4.111 1.00 12.23 C ATOM 0 H ALA A 43 -7.915 10.677 5.031 1.00 2.12 H new ATOM 0 HA ALA A 43 -6.828 10.126 2.407 1.00 31.20 H new ATOM 0 HB1 ALA A 43 -4.681 10.158 3.635 1.00 12.23 H new ATOM 0 HB2 ALA A 43 -5.668 11.595 3.992 1.00 12.23 H new ATOM 0 HB3 ALA A 43 -5.571 10.266 5.172 1.00 12.23 H new ATOM 702 N GLU A 44 -6.838 7.797 4.754 1.00 71.11 N ATOM 703 CA GLU A 44 -6.745 6.358 4.970 1.00 64.21 C ATOM 704 C GLU A 44 -7.761 5.612 4.110 1.00 23.51 C ATOM 705 O GLU A 44 -7.569 4.443 3.777 1.00 25.13 O ATOM 706 CB GLU A 44 -6.968 6.026 6.447 1.00 71.33 C ATOM 707 CG GLU A 44 -6.637 4.586 6.804 1.00 53.32 C ATOM 708 CD GLU A 44 -6.864 4.283 8.272 1.00 71.40 C ATOM 709 OE1 GLU A 44 -8.039 4.244 8.695 1.00 63.34 O ATOM 710 OE2 GLU A 44 -5.868 4.084 8.998 1.00 1.11 O ATOM 0 H GLU A 44 -7.032 8.339 5.596 1.00 71.11 H new ATOM 0 HA GLU A 44 -5.745 6.037 4.680 1.00 64.21 H new ATOM 0 HB2 GLU A 44 -6.358 6.692 7.057 1.00 71.33 H new ATOM 0 HB3 GLU A 44 -8.009 6.225 6.702 1.00 71.33 H new ATOM 0 HG2 GLU A 44 -7.248 3.916 6.200 1.00 53.32 H new ATOM 0 HG3 GLU A 44 -5.596 4.383 6.551 1.00 53.32 H new ATOM 717 N ASN A 45 -8.843 6.296 3.755 1.00 41.43 N ATOM 718 CA ASN A 45 -9.891 5.699 2.935 1.00 65.23 C ATOM 719 C ASN A 45 -10.017 6.426 1.599 1.00 31.43 C ATOM 720 O ASN A 45 -10.951 7.194 1.368 1.00 32.43 O ATOM 721 CB ASN A 45 -11.229 5.733 3.676 1.00 42.14 C ATOM 722 CG ASN A 45 -11.615 4.377 4.234 1.00 11.34 C ATOM 723 OD1 ASN A 45 -11.106 3.953 5.272 1.00 14.42 O ATOM 724 ND2 ASN A 45 -12.519 3.690 3.546 1.00 32.34 N ATOM 0 H ASN A 45 -9.017 7.265 4.022 1.00 41.43 H new ATOM 0 HA ASN A 45 -9.618 4.662 2.739 1.00 65.23 H new ATOM 0 HB2 ASN A 45 -11.172 6.455 4.490 1.00 42.14 H new ATOM 0 HB3 ASN A 45 -12.009 6.079 2.997 1.00 42.14 H new ATOM 0 HD21 ASN A 45 -12.818 2.771 3.873 1.00 32.34 H new ATOM 0 HD22 ASN A 45 -12.914 4.081 2.691 1.00 32.34 H new ATOM 731 N PRO A 46 -9.055 6.178 0.698 1.00 54.24 N ATOM 732 CA PRO A 46 -9.037 6.798 -0.631 1.00 33.03 C ATOM 733 C PRO A 46 -10.152 6.274 -1.530 1.00 64.12 C ATOM 734 O PRO A 46 -10.378 6.796 -2.621 1.00 44.22 O ATOM 735 CB PRO A 46 -7.668 6.401 -1.189 1.00 34.02 C ATOM 736 CG PRO A 46 -7.316 5.145 -0.469 1.00 43.13 C ATOM 737 CD PRO A 46 -7.912 5.274 0.905 1.00 21.11 C ATOM 0 HA PRO A 46 -9.196 7.875 -0.581 1.00 33.03 H new ATOM 0 HB2 PRO A 46 -7.711 6.241 -2.266 1.00 34.02 H new ATOM 0 HB3 PRO A 46 -6.927 7.180 -1.011 1.00 34.02 H new ATOM 0 HG2 PRO A 46 -7.715 4.273 -0.987 1.00 43.13 H new ATOM 0 HG3 PRO A 46 -6.235 5.016 -0.415 1.00 43.13 H new ATOM 0 HD2 PRO A 46 -8.230 4.308 1.297 1.00 21.11 H new ATOM 0 HD3 PRO A 46 -7.197 5.687 1.616 1.00 21.11 H new ATOM 745 N GLU A 47 -10.845 5.240 -1.064 1.00 62.45 N ATOM 746 CA GLU A 47 -11.936 4.646 -1.829 1.00 25.45 C ATOM 747 C GLU A 47 -13.044 5.664 -2.076 1.00 15.43 C ATOM 748 O GLU A 47 -13.463 5.878 -3.214 1.00 4.30 O ATOM 749 CB GLU A 47 -12.500 3.429 -1.092 1.00 54.11 C ATOM 750 CG GLU A 47 -13.629 2.737 -1.837 1.00 60.53 C ATOM 751 CD GLU A 47 -13.132 1.890 -2.993 1.00 41.43 C ATOM 752 OE1 GLU A 47 -11.906 1.668 -3.083 1.00 15.22 O ATOM 753 OE2 GLU A 47 -13.969 1.450 -3.809 1.00 15.34 O ATOM 0 H GLU A 47 -10.671 4.797 -0.162 1.00 62.45 H new ATOM 0 HA GLU A 47 -11.539 4.327 -2.793 1.00 25.45 H new ATOM 0 HB2 GLU A 47 -11.696 2.713 -0.921 1.00 54.11 H new ATOM 0 HB3 GLU A 47 -12.861 3.743 -0.112 1.00 54.11 H new ATOM 0 HG2 GLU A 47 -14.185 2.107 -1.143 1.00 60.53 H new ATOM 0 HG3 GLU A 47 -14.324 3.487 -2.214 1.00 60.53 H new ATOM 760 N ILE A 48 -13.516 6.289 -1.002 1.00 32.32 N ATOM 761 CA ILE A 48 -14.576 7.285 -1.102 1.00 23.33 C ATOM 762 C ILE A 48 -14.015 8.698 -0.982 1.00 21.32 C ATOM 763 O ILE A 48 -14.765 9.668 -0.886 1.00 54.33 O ATOM 764 CB ILE A 48 -15.648 7.076 -0.016 1.00 54.44 C ATOM 765 CG1 ILE A 48 -15.236 7.777 1.280 1.00 54.12 C ATOM 766 CG2 ILE A 48 -15.875 5.592 0.226 1.00 22.34 C ATOM 767 CD1 ILE A 48 -13.868 7.368 1.779 1.00 14.13 C ATOM 0 H ILE A 48 -13.181 6.123 -0.053 1.00 32.32 H new ATOM 0 HA ILE A 48 -15.035 7.161 -2.083 1.00 23.33 H new ATOM 0 HB ILE A 48 -16.584 7.514 -0.362 1.00 54.44 H new ATOM 0 HG12 ILE A 48 -15.248 8.855 1.120 1.00 54.12 H new ATOM 0 HG13 ILE A 48 -15.975 7.561 2.051 1.00 54.12 H new ATOM 0 HG21 ILE A 48 -16.635 5.461 0.996 1.00 22.34 H new ATOM 0 HG22 ILE A 48 -16.209 5.120 -0.698 1.00 22.34 H new ATOM 0 HG23 ILE A 48 -14.944 5.130 0.553 1.00 22.34 H new ATOM 0 HD11 ILE A 48 -13.642 7.904 2.701 1.00 14.13 H new ATOM 0 HD12 ILE A 48 -13.857 6.295 1.971 1.00 14.13 H new ATOM 0 HD13 ILE A 48 -13.119 7.610 1.025 1.00 14.13 H new ATOM 779 N ALA A 49 -12.690 8.805 -0.989 1.00 53.32 N ATOM 780 CA ALA A 49 -12.028 10.100 -0.885 1.00 74.22 C ATOM 781 C ALA A 49 -12.590 11.087 -1.903 1.00 61.21 C ATOM 782 O ALA A 49 -13.066 12.164 -1.543 1.00 23.45 O ATOM 783 CB ALA A 49 -10.527 9.942 -1.073 1.00 61.53 C ATOM 0 H ALA A 49 -12.054 8.011 -1.066 1.00 53.32 H new ATOM 0 HA ALA A 49 -12.218 10.499 0.112 1.00 74.22 H new ATOM 0 HB1 ALA A 49 -10.046 10.917 -0.993 1.00 61.53 H new ATOM 0 HB2 ALA A 49 -10.132 9.278 -0.304 1.00 61.53 H new ATOM 0 HB3 ALA A 49 -10.326 9.518 -2.057 1.00 61.53 H new ATOM 789 N LYS A 50 -12.531 10.714 -3.177 1.00 21.51 N ATOM 790 CA LYS A 50 -13.034 11.565 -4.248 1.00 42.13 C ATOM 791 C LYS A 50 -14.445 11.152 -4.655 1.00 2.24 C ATOM 792 O LYS A 50 -14.830 11.284 -5.816 1.00 52.34 O ATOM 793 CB LYS A 50 -12.102 11.498 -5.461 1.00 13.13 C ATOM 794 CG LYS A 50 -10.852 12.348 -5.315 1.00 20.01 C ATOM 795 CD LYS A 50 -9.898 12.140 -6.479 1.00 3.31 C ATOM 796 CE LYS A 50 -10.451 12.734 -7.766 1.00 25.24 C ATOM 797 NZ LYS A 50 -9.405 12.843 -8.820 1.00 61.02 N ATOM 0 H LYS A 50 -12.139 9.827 -3.493 1.00 21.51 H new ATOM 0 HA LYS A 50 -13.067 12.590 -3.878 1.00 42.13 H new ATOM 0 HB2 LYS A 50 -11.809 10.461 -5.627 1.00 13.13 H new ATOM 0 HB3 LYS A 50 -12.649 11.820 -6.347 1.00 13.13 H new ATOM 0 HG2 LYS A 50 -11.131 13.400 -5.255 1.00 20.01 H new ATOM 0 HG3 LYS A 50 -10.348 12.099 -4.381 1.00 20.01 H new ATOM 0 HD2 LYS A 50 -8.936 12.599 -6.249 1.00 3.31 H new ATOM 0 HD3 LYS A 50 -9.718 11.074 -6.617 1.00 3.31 H new ATOM 0 HE2 LYS A 50 -11.270 12.114 -8.130 1.00 25.24 H new ATOM 0 HE3 LYS A 50 -10.865 13.721 -7.562 1.00 25.24 H new ATOM 0 HZ1 LYS A 50 -9.821 13.252 -9.681 1.00 61.02 H new ATOM 0 HZ2 LYS A 50 -8.635 13.455 -8.483 1.00 61.02 H new ATOM 0 HZ3 LYS A 50 -9.027 11.898 -9.033 1.00 61.02 H new ATOM 811 N ASP A 51 -15.211 10.653 -3.691 1.00 1.53 N ATOM 812 CA ASP A 51 -16.581 10.224 -3.948 1.00 24.21 C ATOM 813 C ASP A 51 -17.491 11.424 -4.187 1.00 0.34 C ATOM 814 O ASP A 51 -17.814 12.166 -3.259 1.00 5.43 O ATOM 815 CB ASP A 51 -17.106 9.395 -2.775 1.00 72.51 C ATOM 816 CG ASP A 51 -18.231 8.463 -3.183 1.00 24.22 C ATOM 817 OD1 ASP A 51 -18.793 8.657 -4.281 1.00 34.51 O ATOM 818 OD2 ASP A 51 -18.547 7.539 -2.404 1.00 51.43 O ATOM 0 H ASP A 51 -14.907 10.536 -2.725 1.00 1.53 H new ATOM 0 HA ASP A 51 -16.580 9.608 -4.847 1.00 24.21 H new ATOM 0 HB2 ASP A 51 -16.289 8.810 -2.352 1.00 72.51 H new ATOM 0 HB3 ASP A 51 -17.459 10.064 -1.990 1.00 72.51 H new ATOM 823 N VAL A 52 -17.901 11.610 -5.437 1.00 75.02 N ATOM 824 CA VAL A 52 -18.775 12.720 -5.798 1.00 43.34 C ATOM 825 C VAL A 52 -20.227 12.413 -5.451 1.00 21.12 C ATOM 826 O VAL A 52 -21.032 13.321 -5.246 1.00 31.43 O ATOM 827 CB VAL A 52 -18.676 13.046 -7.300 1.00 42.54 C ATOM 828 CG1 VAL A 52 -17.272 13.514 -7.654 1.00 72.33 C ATOM 829 CG2 VAL A 52 -19.070 11.837 -8.135 1.00 13.21 C ATOM 0 H VAL A 52 -17.642 11.006 -6.217 1.00 75.02 H new ATOM 0 HA VAL A 52 -18.442 13.584 -5.223 1.00 43.34 H new ATOM 0 HB VAL A 52 -19.370 13.856 -7.524 1.00 42.54 H new ATOM 0 HG11 VAL A 52 -17.221 13.740 -8.719 1.00 72.33 H new ATOM 0 HG12 VAL A 52 -17.032 14.410 -7.082 1.00 72.33 H new ATOM 0 HG13 VAL A 52 -16.555 12.728 -7.415 1.00 72.33 H new ATOM 0 HG21 VAL A 52 -18.994 12.086 -9.194 1.00 13.21 H new ATOM 0 HG22 VAL A 52 -18.403 11.005 -7.909 1.00 13.21 H new ATOM 0 HG23 VAL A 52 -20.096 11.552 -7.902 1.00 13.21 H new ATOM 839 N ALA A 53 -20.554 11.127 -5.386 1.00 34.43 N ATOM 840 CA ALA A 53 -21.909 10.699 -5.060 1.00 73.12 C ATOM 841 C ALA A 53 -22.158 10.760 -3.557 1.00 11.00 C ATOM 842 O ALA A 53 -23.300 10.874 -3.111 1.00 65.24 O ATOM 843 CB ALA A 53 -22.158 9.291 -5.581 1.00 41.24 C ATOM 0 H ALA A 53 -19.899 10.363 -5.555 1.00 34.43 H new ATOM 0 HA ALA A 53 -22.605 11.383 -5.545 1.00 73.12 H new ATOM 0 HB1 ALA A 53 -23.174 8.985 -5.330 1.00 41.24 H new ATOM 0 HB2 ALA A 53 -22.031 9.276 -6.663 1.00 41.24 H new ATOM 0 HB3 ALA A 53 -21.448 8.603 -5.123 1.00 41.24 H new ATOM 849 N ALA A 54 -21.082 10.683 -2.780 1.00 55.02 N ATOM 850 CA ALA A 54 -21.185 10.731 -1.327 1.00 44.00 C ATOM 851 C ALA A 54 -21.846 12.025 -0.866 1.00 14.04 C ATOM 852 O ALA A 54 -22.397 12.094 0.234 1.00 64.11 O ATOM 853 CB ALA A 54 -19.808 10.586 -0.696 1.00 44.01 C ATOM 0 H ALA A 54 -20.130 10.587 -3.133 1.00 55.02 H new ATOM 0 HA ALA A 54 -21.811 9.899 -1.004 1.00 44.00 H new ATOM 0 HB1 ALA A 54 -19.899 10.624 0.390 1.00 44.01 H new ATOM 0 HB2 ALA A 54 -19.371 9.632 -0.991 1.00 44.01 H new ATOM 0 HB3 ALA A 54 -19.165 11.399 -1.034 1.00 44.01 H new ATOM 859 N ILE A 55 -21.789 13.048 -1.712 1.00 24.14 N ATOM 860 CA ILE A 55 -22.383 14.339 -1.390 1.00 10.32 C ATOM 861 C ILE A 55 -23.905 14.278 -1.465 1.00 42.24 C ATOM 862 O ILE A 55 -24.602 14.985 -0.739 1.00 21.24 O ATOM 863 CB ILE A 55 -21.877 15.444 -2.337 1.00 32.43 C ATOM 864 CG1 ILE A 55 -20.361 15.602 -2.206 1.00 40.34 C ATOM 865 CG2 ILE A 55 -22.580 16.759 -2.039 1.00 55.53 C ATOM 866 CD1 ILE A 55 -19.582 14.857 -3.267 1.00 60.14 C ATOM 0 H ILE A 55 -21.337 13.008 -2.626 1.00 24.14 H new ATOM 0 HA ILE A 55 -22.081 14.580 -0.371 1.00 10.32 H new ATOM 0 HB ILE A 55 -22.106 15.157 -3.363 1.00 32.43 H new ATOM 0 HG12 ILE A 55 -20.108 16.661 -2.258 1.00 40.34 H new ATOM 0 HG13 ILE A 55 -20.051 15.248 -1.223 1.00 40.34 H new ATOM 0 HG21 ILE A 55 -22.212 17.530 -2.716 1.00 55.53 H new ATOM 0 HG22 ILE A 55 -23.654 16.637 -2.178 1.00 55.53 H new ATOM 0 HG23 ILE A 55 -22.378 17.054 -1.009 1.00 55.53 H new ATOM 0 HD11 ILE A 55 -18.515 15.014 -3.112 1.00 60.14 H new ATOM 0 HD12 ILE A 55 -19.805 13.792 -3.202 1.00 60.14 H new ATOM 0 HD13 ILE A 55 -19.864 15.227 -4.253 1.00 60.14 H new ATOM 878 N GLY A 56 -24.414 13.426 -2.350 1.00 54.20 N ATOM 879 CA GLY A 56 -25.851 13.287 -2.503 1.00 63.34 C ATOM 880 C GLY A 56 -26.451 12.329 -1.494 1.00 33.31 C ATOM 881 O GLY A 56 -27.603 12.484 -1.088 1.00 32.22 O ATOM 0 H GLY A 56 -23.858 12.830 -2.963 1.00 54.20 H new ATOM 0 HA2 GLY A 56 -26.321 14.265 -2.395 1.00 63.34 H new ATOM 0 HA3 GLY A 56 -26.074 12.935 -3.510 1.00 63.34 H new ATOM 885 N LYS A 57 -25.670 11.333 -1.088 1.00 12.41 N ATOM 886 CA LYS A 57 -26.131 10.345 -0.120 1.00 25.12 C ATOM 887 C LYS A 57 -25.963 10.861 1.306 1.00 74.21 C ATOM 888 O LYS A 57 -26.619 10.381 2.230 1.00 13.21 O ATOM 889 CB LYS A 57 -25.360 9.034 -0.293 1.00 1.12 C ATOM 890 CG LYS A 57 -26.025 8.060 -1.250 1.00 24.54 C ATOM 891 CD LYS A 57 -25.517 8.239 -2.671 1.00 11.45 C ATOM 892 CE LYS A 57 -24.297 7.372 -2.941 1.00 12.04 C ATOM 893 NZ LYS A 57 -24.230 6.936 -4.363 1.00 54.41 N ATOM 0 H LYS A 57 -24.715 11.189 -1.415 1.00 12.41 H new ATOM 0 HA LYS A 57 -27.191 10.163 -0.300 1.00 25.12 H new ATOM 0 HB2 LYS A 57 -24.356 9.257 -0.654 1.00 1.12 H new ATOM 0 HB3 LYS A 57 -25.249 8.556 0.680 1.00 1.12 H new ATOM 0 HG2 LYS A 57 -25.835 7.038 -0.921 1.00 24.54 H new ATOM 0 HG3 LYS A 57 -27.105 8.207 -1.228 1.00 24.54 H new ATOM 0 HD2 LYS A 57 -26.308 7.985 -3.376 1.00 11.45 H new ATOM 0 HD3 LYS A 57 -25.265 9.286 -2.839 1.00 11.45 H new ATOM 0 HE2 LYS A 57 -23.394 7.927 -2.689 1.00 12.04 H new ATOM 0 HE3 LYS A 57 -24.324 6.496 -2.293 1.00 12.04 H new ATOM 0 HZ1 LYS A 57 -23.242 6.960 -4.687 1.00 54.41 H new ATOM 0 HZ2 LYS A 57 -24.599 5.967 -4.447 1.00 54.41 H new ATOM 0 HZ3 LYS A 57 -24.803 7.576 -4.950 1.00 54.41 H new ATOM 907 N MET A 58 -25.083 11.841 1.476 1.00 3.41 N ATOM 908 CA MET A 58 -24.832 12.424 2.789 1.00 33.34 C ATOM 909 C MET A 58 -26.141 12.808 3.472 1.00 50.50 C ATOM 910 O MET A 58 -26.243 12.781 4.699 1.00 51.22 O ATOM 911 CB MET A 58 -23.929 13.652 2.663 1.00 53.25 C ATOM 912 CG MET A 58 -24.677 14.919 2.279 1.00 60.12 C ATOM 913 SD MET A 58 -23.570 16.282 1.871 1.00 42.32 S ATOM 914 CE MET A 58 -24.749 17.593 1.556 1.00 41.25 C ATOM 0 H MET A 58 -24.531 12.249 0.721 1.00 3.41 H new ATOM 0 HA MET A 58 -24.329 11.675 3.401 1.00 33.34 H new ATOM 0 HB2 MET A 58 -23.417 13.815 3.611 1.00 53.25 H new ATOM 0 HB3 MET A 58 -23.161 13.453 1.916 1.00 53.25 H new ATOM 0 HG2 MET A 58 -25.321 14.711 1.425 1.00 60.12 H new ATOM 0 HG3 MET A 58 -25.326 15.217 3.103 1.00 60.12 H new ATOM 0 HE1 MET A 58 -24.216 18.506 1.290 1.00 41.25 H new ATOM 0 HE2 MET A 58 -25.405 17.303 0.735 1.00 41.25 H new ATOM 0 HE3 MET A 58 -25.345 17.769 2.451 1.00 41.25 H new ATOM 924 N ILE A 59 -27.138 13.167 2.670 1.00 33.43 N ATOM 925 CA ILE A 59 -28.440 13.556 3.198 1.00 20.11 C ATOM 926 C ILE A 59 -28.987 12.496 4.148 1.00 11.24 C ATOM 927 O ILE A 59 -29.192 12.756 5.333 1.00 13.32 O ATOM 928 CB ILE A 59 -29.459 13.790 2.067 1.00 2.32 C ATOM 929 CG1 ILE A 59 -28.952 14.871 1.110 1.00 25.20 C ATOM 930 CG2 ILE A 59 -30.811 14.179 2.645 1.00 13.50 C ATOM 931 CD1 ILE A 59 -28.673 16.195 1.786 1.00 33.03 C ATOM 0 H ILE A 59 -27.069 13.197 1.653 1.00 33.43 H new ATOM 0 HA ILE A 59 -28.294 14.488 3.743 1.00 20.11 H new ATOM 0 HB ILE A 59 -29.578 12.862 1.507 1.00 2.32 H new ATOM 0 HG12 ILE A 59 -28.040 14.519 0.628 1.00 25.20 H new ATOM 0 HG13 ILE A 59 -29.690 15.023 0.323 1.00 25.20 H new ATOM 0 HG21 ILE A 59 -31.521 14.341 1.834 1.00 13.50 H new ATOM 0 HG22 ILE A 59 -31.174 13.379 3.291 1.00 13.50 H new ATOM 0 HG23 ILE A 59 -30.708 15.096 3.226 1.00 13.50 H new ATOM 0 HD11 ILE A 59 -28.317 16.913 1.047 1.00 33.03 H new ATOM 0 HD12 ILE A 59 -29.588 16.570 2.244 1.00 33.03 H new ATOM 0 HD13 ILE A 59 -27.912 16.058 2.554 1.00 33.03 H new ATOM 943 N GLY A 60 -29.220 11.298 3.620 1.00 41.40 N ATOM 944 CA GLY A 60 -29.739 10.216 4.435 1.00 14.23 C ATOM 945 C GLY A 60 -28.722 9.703 5.435 1.00 1.40 C ATOM 946 O GLY A 60 -29.082 9.086 6.437 1.00 74.15 O ATOM 0 H GLY A 60 -29.058 11.058 2.642 1.00 41.40 H new ATOM 0 HA2 GLY A 60 -30.626 10.560 4.967 1.00 14.23 H new ATOM 0 HA3 GLY A 60 -30.053 9.397 3.788 1.00 14.23 H new ATOM 950 N ALA A 61 -27.446 9.958 5.162 1.00 14.22 N ATOM 951 CA ALA A 61 -26.374 9.518 6.046 1.00 44.34 C ATOM 952 C ALA A 61 -26.228 10.454 7.241 1.00 50.33 C ATOM 953 O ALA A 61 -25.608 10.103 8.244 1.00 43.41 O ATOM 954 CB ALA A 61 -25.062 9.429 5.280 1.00 51.35 C ATOM 0 H ALA A 61 -27.130 10.467 4.336 1.00 14.22 H new ATOM 0 HA ALA A 61 -26.631 8.528 6.423 1.00 44.34 H new ATOM 0 HB1 ALA A 61 -24.270 9.099 5.952 1.00 51.35 H new ATOM 0 HB2 ALA A 61 -25.165 8.715 4.463 1.00 51.35 H new ATOM 0 HB3 ALA A 61 -24.810 10.409 4.875 1.00 51.35 H new ATOM 960 N ALA A 62 -26.803 11.647 7.126 1.00 71.11 N ATOM 961 CA ALA A 62 -26.738 12.633 8.198 1.00 71.44 C ATOM 962 C ALA A 62 -27.290 12.064 9.501 1.00 42.14 C ATOM 963 O ALA A 62 -26.591 12.015 10.513 1.00 45.44 O ATOM 964 CB ALA A 62 -27.499 13.891 7.805 1.00 64.54 C ATOM 0 H ALA A 62 -27.319 11.954 6.301 1.00 71.11 H new ATOM 0 HA ALA A 62 -25.691 12.890 8.359 1.00 71.44 H new ATOM 0 HB1 ALA A 62 -27.442 14.619 8.615 1.00 64.54 H new ATOM 0 HB2 ALA A 62 -27.058 14.316 6.903 1.00 64.54 H new ATOM 0 HB3 ALA A 62 -28.543 13.640 7.615 1.00 64.54 H new ATOM 970 N TRP A 63 -28.547 11.636 9.468 1.00 4.45 N ATOM 971 CA TRP A 63 -29.192 11.072 10.648 1.00 20.33 C ATOM 972 C TRP A 63 -28.850 9.594 10.801 1.00 72.32 C ATOM 973 O TRP A 63 -28.881 9.051 11.904 1.00 10.04 O ATOM 974 CB TRP A 63 -30.708 11.251 10.560 1.00 35.23 C ATOM 975 CG TRP A 63 -31.330 10.500 9.421 1.00 11.55 C ATOM 976 CD1 TRP A 63 -31.534 9.152 9.342 1.00 1.43 C ATOM 977 CD2 TRP A 63 -31.827 11.056 8.199 1.00 64.22 C ATOM 978 NE1 TRP A 63 -32.127 8.836 8.144 1.00 52.21 N ATOM 979 CE2 TRP A 63 -32.318 9.986 7.425 1.00 51.32 C ATOM 980 CE3 TRP A 63 -31.906 12.352 7.683 1.00 2.23 C ATOM 981 CZ2 TRP A 63 -32.878 10.176 6.164 1.00 35.05 C ATOM 982 CZ3 TRP A 63 -32.462 12.539 6.432 1.00 20.31 C ATOM 983 CH2 TRP A 63 -32.943 11.456 5.684 1.00 32.24 C ATOM 0 H TRP A 63 -29.139 11.669 8.638 1.00 4.45 H new ATOM 0 HA TRP A 63 -28.821 11.604 11.524 1.00 20.33 H new ATOM 0 HB2 TRP A 63 -31.161 10.920 11.495 1.00 35.23 H new ATOM 0 HB3 TRP A 63 -30.936 12.312 10.454 1.00 35.23 H new ATOM 0 HD1 TRP A 63 -31.268 8.439 10.109 1.00 1.43 H new ATOM 0 HE1 TRP A 63 -32.384 7.897 7.839 1.00 52.21 H new ATOM 0 HE3 TRP A 63 -31.539 13.193 8.252 1.00 2.23 H new ATOM 0 HZ2 TRP A 63 -33.248 9.343 5.585 1.00 35.05 H new ATOM 0 HZ3 TRP A 63 -32.527 13.537 6.024 1.00 20.31 H new ATOM 0 HH2 TRP A 63 -33.373 11.635 4.710 1.00 32.24 H new ATOM 994 N ASN A 64 -28.524 8.948 9.686 1.00 74.12 N ATOM 995 CA ASN A 64 -28.177 7.531 9.697 1.00 51.53 C ATOM 996 C ASN A 64 -26.731 7.329 10.140 1.00 52.44 C ATOM 997 O ASN A 64 -26.267 6.198 10.281 1.00 10.52 O ATOM 998 CB ASN A 64 -28.387 6.923 8.309 1.00 62.14 C ATOM 999 CG ASN A 64 -27.911 5.485 8.230 1.00 40.22 C ATOM 1000 OD1 ASN A 64 -28.628 4.561 8.613 1.00 61.52 O ATOM 1001 ND2 ASN A 64 -26.696 5.291 7.731 1.00 24.13 N ATOM 0 H ASN A 64 -28.493 9.383 8.764 1.00 74.12 H new ATOM 0 HA ASN A 64 -28.830 7.027 10.409 1.00 51.53 H new ATOM 0 HB2 ASN A 64 -29.445 6.967 8.052 1.00 62.14 H new ATOM 0 HB3 ASN A 64 -27.854 7.520 7.569 1.00 62.14 H new ATOM 0 HD21 ASN A 64 -26.322 4.345 7.653 1.00 24.13 H new ATOM 0 HD22 ASN A 64 -26.137 6.088 7.426 1.00 24.13 H new ATOM 1008 N ALA A 65 -26.025 8.434 10.357 1.00 21.13 N ATOM 1009 CA ALA A 65 -24.633 8.378 10.787 1.00 51.42 C ATOM 1010 C ALA A 65 -24.525 7.934 12.242 1.00 43.54 C ATOM 1011 O ALA A 65 -23.518 7.355 12.651 1.00 31.33 O ATOM 1012 CB ALA A 65 -23.967 9.733 10.595 1.00 13.03 C ATOM 0 H ALA A 65 -26.394 9.378 10.242 1.00 21.13 H new ATOM 0 HA ALA A 65 -24.117 7.641 10.171 1.00 51.42 H new ATOM 0 HB1 ALA A 65 -22.928 9.677 10.920 1.00 13.03 H new ATOM 0 HB2 ALA A 65 -24.003 10.010 9.541 1.00 13.03 H new ATOM 0 HB3 ALA A 65 -24.492 10.483 11.186 1.00 13.03 H new ATOM 1018 N LEU A 66 -25.566 8.210 13.019 1.00 53.55 N ATOM 1019 CA LEU A 66 -25.588 7.840 14.429 1.00 30.23 C ATOM 1020 C LEU A 66 -25.911 6.359 14.598 1.00 32.23 C ATOM 1021 O LEU A 66 -26.166 5.653 13.622 1.00 2.42 O ATOM 1022 CB LEU A 66 -26.614 8.687 15.184 1.00 74.23 C ATOM 1023 CG LEU A 66 -26.104 10.011 15.752 1.00 50.51 C ATOM 1024 CD1 LEU A 66 -24.961 9.770 16.725 1.00 64.40 C ATOM 1025 CD2 LEU A 66 -25.664 10.939 14.629 1.00 41.31 C ATOM 0 H LEU A 66 -26.407 8.689 12.696 1.00 53.55 H new ATOM 0 HA LEU A 66 -24.597 8.027 14.843 1.00 30.23 H new ATOM 0 HB2 LEU A 66 -27.445 8.899 14.512 1.00 74.23 H new ATOM 0 HB3 LEU A 66 -27.013 8.092 16.006 1.00 74.23 H new ATOM 0 HG LEU A 66 -26.920 10.490 16.294 1.00 50.51 H new ATOM 0 HD11 LEU A 66 -24.611 10.724 17.119 1.00 64.40 H new ATOM 0 HD12 LEU A 66 -25.309 9.144 17.547 1.00 64.40 H new ATOM 0 HD13 LEU A 66 -24.143 9.269 16.208 1.00 64.40 H new ATOM 0 HD21 LEU A 66 -25.304 11.877 15.052 1.00 41.31 H new ATOM 0 HD22 LEU A 66 -24.864 10.467 14.059 1.00 41.31 H new ATOM 0 HD23 LEU A 66 -26.509 11.139 13.970 1.00 41.31 H new ATOM 1037 N SER A 67 -25.901 5.894 15.844 1.00 41.52 N ATOM 1038 CA SER A 67 -26.191 4.497 16.141 1.00 74.31 C ATOM 1039 C SER A 67 -27.613 4.136 15.720 1.00 22.10 C ATOM 1040 O SER A 67 -28.515 4.973 15.759 1.00 62.22 O ATOM 1041 CB SER A 67 -26.004 4.221 17.634 1.00 10.11 C ATOM 1042 OG SER A 67 -25.234 3.050 17.844 1.00 51.11 O ATOM 0 H SER A 67 -25.695 6.465 16.664 1.00 41.52 H new ATOM 0 HA SER A 67 -25.494 3.879 15.575 1.00 74.31 H new ATOM 0 HB2 SER A 67 -25.513 5.072 18.106 1.00 10.11 H new ATOM 0 HB3 SER A 67 -26.978 4.110 18.111 1.00 10.11 H new ATOM 0 HG SER A 67 -25.128 2.897 18.806 1.00 51.11 H new ATOM 1048 N ASP A 68 -27.804 2.884 15.318 1.00 11.30 N ATOM 1049 CA ASP A 68 -29.115 2.411 14.890 1.00 33.54 C ATOM 1050 C ASP A 68 -30.033 2.195 16.090 1.00 61.21 C ATOM 1051 O ASP A 68 -31.151 2.708 16.128 1.00 63.32 O ATOM 1052 CB ASP A 68 -28.978 1.110 14.097 1.00 24.14 C ATOM 1053 CG ASP A 68 -28.070 0.107 14.783 1.00 54.21 C ATOM 1054 OD1 ASP A 68 -26.838 0.302 14.747 1.00 65.43 O ATOM 1055 OD2 ASP A 68 -28.593 -0.873 15.355 1.00 51.52 O ATOM 0 H ASP A 68 -27.068 2.179 15.280 1.00 11.30 H new ATOM 0 HA ASP A 68 -29.557 3.173 14.249 1.00 33.54 H new ATOM 0 HB2 ASP A 68 -29.964 0.667 13.958 1.00 24.14 H new ATOM 0 HB3 ASP A 68 -28.585 1.332 13.105 1.00 24.14 H new ATOM 1060 N GLU A 69 -29.552 1.432 17.067 1.00 73.34 N ATOM 1061 CA GLU A 69 -30.331 1.147 18.266 1.00 20.01 C ATOM 1062 C GLU A 69 -30.733 2.438 18.973 1.00 5.23 C ATOM 1063 O GLU A 69 -31.759 2.494 19.649 1.00 33.21 O ATOM 1064 CB GLU A 69 -29.532 0.257 19.221 1.00 41.24 C ATOM 1065 CG GLU A 69 -28.138 0.783 19.519 1.00 22.41 C ATOM 1066 CD GLU A 69 -27.066 0.093 18.697 1.00 11.12 C ATOM 1067 OE1 GLU A 69 -27.405 -0.481 17.641 1.00 2.41 O ATOM 1068 OE2 GLU A 69 -25.888 0.128 19.111 1.00 71.22 O ATOM 0 H GLU A 69 -28.628 1.001 17.051 1.00 73.34 H new ATOM 0 HA GLU A 69 -31.237 0.621 17.963 1.00 20.01 H new ATOM 0 HB2 GLU A 69 -30.082 0.157 20.157 1.00 41.24 H new ATOM 0 HB3 GLU A 69 -29.450 -0.741 18.791 1.00 41.24 H new ATOM 0 HG2 GLU A 69 -28.108 1.855 19.322 1.00 22.41 H new ATOM 0 HG3 GLU A 69 -27.921 0.648 20.579 1.00 22.41 H new ATOM 1075 N GLU A 70 -29.914 3.474 18.812 1.00 73.50 N ATOM 1076 CA GLU A 70 -30.184 4.764 19.436 1.00 24.41 C ATOM 1077 C GLU A 70 -30.921 5.690 18.474 1.00 50.24 C ATOM 1078 O GLU A 70 -31.276 6.815 18.826 1.00 15.10 O ATOM 1079 CB GLU A 70 -28.877 5.418 19.891 1.00 73.31 C ATOM 1080 CG GLU A 70 -28.267 4.767 21.121 1.00 63.03 C ATOM 1081 CD GLU A 70 -26.753 4.705 21.057 1.00 61.30 C ATOM 1082 OE1 GLU A 70 -26.159 5.483 20.282 1.00 24.12 O ATOM 1083 OE2 GLU A 70 -26.163 3.877 21.783 1.00 42.31 O ATOM 0 H GLU A 70 -29.060 3.445 18.256 1.00 73.50 H new ATOM 0 HA GLU A 70 -30.819 4.593 20.305 1.00 24.41 H new ATOM 0 HB2 GLU A 70 -28.157 5.378 19.074 1.00 73.31 H new ATOM 0 HB3 GLU A 70 -29.062 6.471 20.102 1.00 73.31 H new ATOM 0 HG2 GLU A 70 -28.567 5.324 22.009 1.00 63.03 H new ATOM 0 HG3 GLU A 70 -28.664 3.758 21.228 1.00 63.03 H new ATOM 1090 N LYS A 71 -31.147 5.210 17.256 1.00 73.33 N ATOM 1091 CA LYS A 71 -31.843 5.992 16.241 1.00 44.41 C ATOM 1092 C LYS A 71 -33.352 5.792 16.338 1.00 4.15 C ATOM 1093 O LYS A 71 -34.128 6.547 15.753 1.00 1.40 O ATOM 1094 CB LYS A 71 -31.355 5.602 14.844 1.00 40.23 C ATOM 1095 CG LYS A 71 -30.680 6.739 14.095 1.00 35.14 C ATOM 1096 CD LYS A 71 -31.100 6.772 12.635 1.00 13.15 C ATOM 1097 CE LYS A 71 -30.610 5.543 11.886 1.00 21.44 C ATOM 1098 NZ LYS A 71 -31.110 5.511 10.484 1.00 44.50 N ATOM 0 H LYS A 71 -30.858 4.282 16.947 1.00 73.33 H new ATOM 0 HA LYS A 71 -31.623 7.045 16.416 1.00 44.41 H new ATOM 0 HB2 LYS A 71 -30.656 4.770 14.932 1.00 40.23 H new ATOM 0 HB3 LYS A 71 -32.203 5.245 14.259 1.00 40.23 H new ATOM 0 HG2 LYS A 71 -30.932 7.688 14.569 1.00 35.14 H new ATOM 0 HG3 LYS A 71 -29.598 6.627 14.161 1.00 35.14 H new ATOM 0 HD2 LYS A 71 -32.186 6.830 12.569 1.00 13.15 H new ATOM 0 HD3 LYS A 71 -30.703 7.670 12.161 1.00 13.15 H new ATOM 0 HE2 LYS A 71 -29.520 5.530 11.883 1.00 21.44 H new ATOM 0 HE3 LYS A 71 -30.938 4.645 12.409 1.00 21.44 H new ATOM 0 HZ1 LYS A 71 -30.340 5.223 9.847 1.00 44.50 H new ATOM 0 HZ2 LYS A 71 -31.893 4.831 10.410 1.00 44.50 H new ATOM 0 HZ3 LYS A 71 -31.447 6.457 10.214 1.00 44.50 H new ATOM 1112 N LYS A 72 -33.761 4.771 17.083 1.00 73.41 N ATOM 1113 CA LYS A 72 -35.177 4.472 17.260 1.00 34.02 C ATOM 1114 C LYS A 72 -35.878 5.591 18.024 1.00 51.34 C ATOM 1115 O LYS A 72 -36.902 6.123 17.593 1.00 20.52 O ATOM 1116 CB LYS A 72 -35.351 3.146 18.005 1.00 42.22 C ATOM 1117 CG LYS A 72 -34.332 2.090 17.612 1.00 54.23 C ATOM 1118 CD LYS A 72 -34.247 1.932 16.103 1.00 73.31 C ATOM 1119 CE LYS A 72 -33.782 0.537 15.714 1.00 21.23 C ATOM 1120 NZ LYS A 72 -34.865 -0.473 15.871 1.00 52.03 N ATOM 0 H LYS A 72 -33.132 4.136 17.574 1.00 73.41 H new ATOM 0 HA LYS A 72 -35.631 4.389 16.272 1.00 34.02 H new ATOM 0 HB2 LYS A 72 -35.278 3.329 19.077 1.00 42.22 H new ATOM 0 HB3 LYS A 72 -36.353 2.761 17.815 1.00 42.22 H new ATOM 0 HG2 LYS A 72 -33.353 2.363 18.006 1.00 54.23 H new ATOM 0 HG3 LYS A 72 -34.603 1.136 18.064 1.00 54.23 H new ATOM 0 HD2 LYS A 72 -35.223 2.128 15.660 1.00 73.31 H new ATOM 0 HD3 LYS A 72 -33.558 2.673 15.697 1.00 73.31 H new ATOM 0 HE2 LYS A 72 -33.439 0.544 14.679 1.00 21.23 H new ATOM 0 HE3 LYS A 72 -32.929 0.254 16.331 1.00 21.23 H new ATOM 0 HZ1 LYS A 72 -34.567 -1.371 15.440 1.00 52.03 H new ATOM 0 HZ2 LYS A 72 -35.058 -0.621 16.882 1.00 52.03 H new ATOM 0 HZ3 LYS A 72 -35.728 -0.133 15.400 1.00 52.03 H new ATOM 1134 N PRO A 73 -35.315 5.961 19.183 1.00 23.45 N ATOM 1135 CA PRO A 73 -35.868 7.022 20.030 1.00 70.12 C ATOM 1136 C PRO A 73 -35.714 8.403 19.402 1.00 11.15 C ATOM 1137 O PRO A 73 -36.331 9.371 19.849 1.00 74.54 O ATOM 1138 CB PRO A 73 -35.038 6.922 21.312 1.00 34.43 C ATOM 1139 CG PRO A 73 -33.751 6.307 20.884 1.00 61.24 C ATOM 1140 CD PRO A 73 -34.094 5.371 19.758 1.00 63.23 C ATOM 0 HA PRO A 73 -36.939 6.900 20.190 1.00 70.12 H new ATOM 0 HB2 PRO A 73 -34.878 7.904 21.758 1.00 34.43 H new ATOM 0 HB3 PRO A 73 -35.539 6.309 22.061 1.00 34.43 H new ATOM 0 HG2 PRO A 73 -33.044 7.069 20.556 1.00 61.24 H new ATOM 0 HG3 PRO A 73 -33.282 5.770 21.708 1.00 61.24 H new ATOM 0 HD2 PRO A 73 -33.291 5.315 19.023 1.00 63.23 H new ATOM 0 HD3 PRO A 73 -34.269 4.357 20.118 1.00 63.23 H new ATOM 1148 N TYR A 74 -34.888 8.488 18.366 1.00 41.11 N ATOM 1149 CA TYR A 74 -34.652 9.752 17.678 1.00 24.04 C ATOM 1150 C TYR A 74 -33.967 10.755 18.602 1.00 30.10 C ATOM 1151 O TYR A 74 -33.918 11.949 18.311 1.00 52.50 O ATOM 1152 CB TYR A 74 -35.971 10.332 17.165 1.00 3.15 C ATOM 1153 CG TYR A 74 -36.855 9.314 16.481 1.00 24.23 C ATOM 1154 CD1 TYR A 74 -36.350 8.479 15.492 1.00 43.42 C ATOM 1155 CD2 TYR A 74 -38.195 9.186 16.825 1.00 22.43 C ATOM 1156 CE1 TYR A 74 -37.154 7.548 14.864 1.00 41.33 C ATOM 1157 CE2 TYR A 74 -39.006 8.256 16.204 1.00 51.25 C ATOM 1158 CZ TYR A 74 -38.481 7.440 15.223 1.00 12.41 C ATOM 1159 OH TYR A 74 -39.285 6.513 14.601 1.00 53.13 O ATOM 0 H TYR A 74 -34.370 7.697 17.984 1.00 41.11 H new ATOM 0 HA TYR A 74 -33.995 9.558 16.830 1.00 24.04 H new ATOM 0 HB2 TYR A 74 -36.515 10.770 18.002 1.00 3.15 H new ATOM 0 HB3 TYR A 74 -35.755 11.141 16.467 1.00 3.15 H new ATOM 0 HD1 TYR A 74 -35.311 8.559 15.209 1.00 43.42 H new ATOM 0 HD2 TYR A 74 -38.610 9.825 17.591 1.00 22.43 H new ATOM 0 HE1 TYR A 74 -36.746 6.908 14.096 1.00 41.33 H new ATOM 0 HE2 TYR A 74 -40.045 8.168 16.485 1.00 51.25 H new ATOM 0 HH TYR A 74 -40.191 6.565 14.971 1.00 53.13 H new ATOM 1169 N GLU A 75 -33.439 10.258 19.717 1.00 51.54 N ATOM 1170 CA GLU A 75 -32.757 11.111 20.684 1.00 73.35 C ATOM 1171 C GLU A 75 -31.316 11.374 20.256 1.00 53.13 C ATOM 1172 O GLU A 75 -30.881 12.523 20.178 1.00 2.02 O ATOM 1173 CB GLU A 75 -32.779 10.465 22.071 1.00 71.05 C ATOM 1174 CG GLU A 75 -32.213 11.354 23.165 1.00 41.12 C ATOM 1175 CD GLU A 75 -32.485 10.813 24.555 1.00 3.11 C ATOM 1176 OE1 GLU A 75 -31.900 9.768 24.909 1.00 60.20 O ATOM 1177 OE2 GLU A 75 -33.282 11.434 25.289 1.00 43.23 O ATOM 0 H GLU A 75 -33.470 9.271 19.972 1.00 51.54 H new ATOM 0 HA GLU A 75 -33.285 12.064 20.726 1.00 73.35 H new ATOM 0 HB2 GLU A 75 -33.806 10.201 22.324 1.00 71.05 H new ATOM 0 HB3 GLU A 75 -32.210 9.536 22.039 1.00 71.05 H new ATOM 0 HG2 GLU A 75 -31.137 11.458 23.024 1.00 41.12 H new ATOM 0 HG3 GLU A 75 -32.644 12.351 23.077 1.00 41.12 H new ATOM 1184 N ARG A 76 -30.582 10.301 19.980 1.00 42.52 N ATOM 1185 CA ARG A 76 -29.190 10.416 19.562 1.00 62.43 C ATOM 1186 C ARG A 76 -29.077 11.193 18.254 1.00 40.24 C ATOM 1187 O ARG A 76 -28.380 12.205 18.180 1.00 74.12 O ATOM 1188 CB ARG A 76 -28.569 9.027 19.397 1.00 1.23 C ATOM 1189 CG ARG A 76 -27.598 8.659 20.507 1.00 45.11 C ATOM 1190 CD ARG A 76 -26.414 9.613 20.550 1.00 11.04 C ATOM 1191 NE ARG A 76 -25.366 9.145 21.454 1.00 74.44 N ATOM 1192 CZ ARG A 76 -25.421 9.276 22.774 1.00 15.42 C ATOM 1193 NH1 ARG A 76 -26.468 9.859 23.343 1.00 51.15 N ATOM 1194 NH2 ARG A 76 -24.428 8.824 23.529 1.00 14.44 N ATOM 0 H ARG A 76 -30.928 9.343 20.038 1.00 42.52 H new ATOM 0 HA ARG A 76 -28.648 10.960 20.336 1.00 62.43 H new ATOM 0 HB2 ARG A 76 -29.366 8.284 19.361 1.00 1.23 H new ATOM 0 HB3 ARG A 76 -28.048 8.982 18.440 1.00 1.23 H new ATOM 0 HG2 ARG A 76 -28.116 8.677 21.466 1.00 45.11 H new ATOM 0 HG3 ARG A 76 -27.241 7.640 20.357 1.00 45.11 H new ATOM 0 HD2 ARG A 76 -26.003 9.726 19.547 1.00 11.04 H new ATOM 0 HD3 ARG A 76 -26.754 10.598 20.868 1.00 11.04 H new ATOM 0 HE ARG A 76 -24.547 8.693 21.049 1.00 74.44 H new ATOM 0 HH11 ARG A 76 -27.233 10.208 22.766 1.00 51.15 H new ATOM 0 HH12 ARG A 76 -26.508 9.958 24.357 1.00 51.15 H new ATOM 0 HH21 ARG A 76 -23.621 8.375 23.095 1.00 14.44 H new ATOM 0 HH22 ARG A 76 -24.471 8.925 24.543 1.00 14.44 H new ATOM 1208 N MET A 77 -29.767 10.713 17.224 1.00 23.53 N ATOM 1209 CA MET A 77 -29.744 11.363 15.919 1.00 12.13 C ATOM 1210 C MET A 77 -30.175 12.822 16.032 1.00 52.03 C ATOM 1211 O MET A 77 -29.832 13.647 15.185 1.00 10.33 O ATOM 1212 CB MET A 77 -30.658 10.623 14.941 1.00 52.01 C ATOM 1213 CG MET A 77 -32.138 10.866 15.189 1.00 10.30 C ATOM 1214 SD MET A 77 -33.192 9.996 14.013 1.00 22.32 S ATOM 1215 CE MET A 77 -33.819 11.364 13.043 1.00 15.32 C ATOM 0 H MET A 77 -30.349 9.876 17.268 1.00 23.53 H new ATOM 0 HA MET A 77 -28.721 11.332 15.543 1.00 12.13 H new ATOM 0 HB2 MET A 77 -30.413 10.930 13.924 1.00 52.01 H new ATOM 0 HB3 MET A 77 -30.458 9.554 15.008 1.00 52.01 H new ATOM 0 HG2 MET A 77 -32.390 10.548 16.201 1.00 10.30 H new ATOM 0 HG3 MET A 77 -32.341 11.935 15.131 1.00 10.30 H new ATOM 0 HE1 MET A 77 -34.475 10.984 12.260 1.00 15.32 H new ATOM 0 HE2 MET A 77 -34.379 12.041 13.688 1.00 15.32 H new ATOM 0 HE3 MET A 77 -32.986 11.901 12.590 1.00 15.32 H new ATOM 1225 N SER A 78 -30.929 13.133 17.081 1.00 31.44 N ATOM 1226 CA SER A 78 -31.410 14.491 17.302 1.00 52.44 C ATOM 1227 C SER A 78 -30.281 15.396 17.786 1.00 30.32 C ATOM 1228 O SER A 78 -30.060 16.478 17.242 1.00 72.44 O ATOM 1229 CB SER A 78 -32.552 14.492 18.320 1.00 60.00 C ATOM 1230 OG SER A 78 -32.503 15.646 19.140 1.00 12.52 O ATOM 0 H SER A 78 -31.220 12.462 17.792 1.00 31.44 H new ATOM 0 HA SER A 78 -31.780 14.877 16.352 1.00 52.44 H new ATOM 0 HB2 SER A 78 -33.508 14.453 17.798 1.00 60.00 H new ATOM 0 HB3 SER A 78 -32.491 13.598 18.941 1.00 60.00 H new ATOM 0 HG SER A 78 -33.244 15.624 19.781 1.00 12.52 H new ATOM 1236 N ASP A 79 -29.570 14.944 18.813 1.00 4.32 N ATOM 1237 CA ASP A 79 -28.462 15.711 19.372 1.00 60.11 C ATOM 1238 C ASP A 79 -27.388 15.962 18.318 1.00 72.53 C ATOM 1239 O ASP A 79 -26.570 16.870 18.456 1.00 22.23 O ATOM 1240 CB ASP A 79 -27.857 14.975 20.569 1.00 53.41 C ATOM 1241 CG ASP A 79 -26.804 15.800 21.283 1.00 31.40 C ATOM 1242 OD1 ASP A 79 -26.973 17.034 21.367 1.00 1.32 O ATOM 1243 OD2 ASP A 79 -25.812 15.210 21.758 1.00 24.25 O ATOM 0 H ASP A 79 -29.741 14.051 19.275 1.00 4.32 H new ATOM 0 HA ASP A 79 -28.850 16.673 19.705 1.00 60.11 H new ATOM 0 HB2 ASP A 79 -28.649 14.716 21.271 1.00 53.41 H new ATOM 0 HB3 ASP A 79 -27.413 14.039 20.230 1.00 53.41 H new ATOM 1248 N GLU A 80 -27.398 15.149 17.265 1.00 0.24 N ATOM 1249 CA GLU A 80 -26.423 15.283 16.189 1.00 32.42 C ATOM 1250 C GLU A 80 -26.558 16.636 15.498 1.00 3.40 C ATOM 1251 O GLU A 80 -25.663 17.065 14.769 1.00 71.43 O ATOM 1252 CB GLU A 80 -26.600 14.157 15.168 1.00 32.43 C ATOM 1253 CG GLU A 80 -25.708 14.297 13.946 1.00 0.05 C ATOM 1254 CD GLU A 80 -26.461 14.797 12.729 1.00 62.43 C ATOM 1255 OE1 GLU A 80 -27.508 15.454 12.906 1.00 64.31 O ATOM 1256 OE2 GLU A 80 -26.002 14.530 11.598 1.00 51.10 O ATOM 0 H GLU A 80 -28.069 14.392 17.135 1.00 0.24 H new ATOM 0 HA GLU A 80 -25.427 15.215 16.626 1.00 32.42 H new ATOM 0 HB2 GLU A 80 -26.391 13.203 15.652 1.00 32.43 H new ATOM 0 HB3 GLU A 80 -27.641 14.130 14.846 1.00 32.43 H new ATOM 0 HG2 GLU A 80 -24.893 14.985 14.172 1.00 0.05 H new ATOM 0 HG3 GLU A 80 -25.256 13.332 13.718 1.00 0.05 H new ATOM 1263 N ASP A 81 -27.682 17.304 15.733 1.00 43.54 N ATOM 1264 CA ASP A 81 -27.934 18.610 15.134 1.00 74.13 C ATOM 1265 C ASP A 81 -26.751 19.547 15.353 1.00 22.23 C ATOM 1266 O ASP A 81 -26.485 20.429 14.537 1.00 14.40 O ATOM 1267 CB ASP A 81 -29.205 19.227 15.721 1.00 61.22 C ATOM 1268 CG ASP A 81 -29.807 20.284 14.816 1.00 61.42 C ATOM 1269 OD1 ASP A 81 -30.250 19.929 13.704 1.00 52.23 O ATOM 1270 OD2 ASP A 81 -29.834 21.465 15.219 1.00 0.44 O ATOM 0 H ASP A 81 -28.433 16.963 16.334 1.00 43.54 H new ATOM 0 HA ASP A 81 -28.069 18.470 14.061 1.00 74.13 H new ATOM 0 HB2 ASP A 81 -29.940 18.441 15.895 1.00 61.22 H new ATOM 0 HB3 ASP A 81 -28.976 19.670 16.690 1.00 61.22 H new ATOM 1275 N ARG A 82 -26.044 19.349 16.461 1.00 2.21 N ATOM 1276 CA ARG A 82 -24.890 20.178 16.789 1.00 20.21 C ATOM 1277 C ARG A 82 -23.630 19.650 16.109 1.00 32.51 C ATOM 1278 O ARG A 82 -23.034 20.326 15.272 1.00 43.45 O ATOM 1279 CB ARG A 82 -24.683 20.225 18.304 1.00 31.31 C ATOM 1280 CG ARG A 82 -23.356 20.838 18.719 1.00 41.41 C ATOM 1281 CD ARG A 82 -23.210 22.258 18.192 1.00 24.55 C ATOM 1282 NE ARG A 82 -24.175 23.169 18.800 1.00 35.01 N ATOM 1283 CZ ARG A 82 -24.455 24.374 18.315 1.00 71.40 C ATOM 1284 NH1 ARG A 82 -23.846 24.809 17.221 1.00 42.11 N ATOM 1285 NH2 ARG A 82 -25.346 25.145 18.924 1.00 13.13 N ATOM 0 H ARG A 82 -26.250 18.622 17.146 1.00 2.21 H new ATOM 0 HA ARG A 82 -25.084 21.187 16.424 1.00 20.21 H new ATOM 0 HB2 ARG A 82 -25.494 20.796 18.755 1.00 31.31 H new ATOM 0 HB3 ARG A 82 -24.746 19.212 18.702 1.00 31.31 H new ATOM 0 HG2 ARG A 82 -23.280 20.842 19.806 1.00 41.41 H new ATOM 0 HG3 ARG A 82 -22.537 20.224 18.345 1.00 41.41 H new ATOM 0 HD2 ARG A 82 -22.200 22.616 18.389 1.00 24.55 H new ATOM 0 HD3 ARG A 82 -23.343 22.259 17.110 1.00 24.55 H new ATOM 0 HE ARG A 82 -24.661 22.864 19.643 1.00 35.01 H new ATOM 0 HH11 ARG A 82 -23.161 24.218 16.750 1.00 42.11 H new ATOM 0 HH12 ARG A 82 -24.063 25.734 16.850 1.00 42.11 H new ATOM 0 HH21 ARG A 82 -25.817 24.813 19.766 1.00 13.13 H new ATOM 0 HH22 ARG A 82 -25.560 26.070 18.551 1.00 13.13 H new ATOM 1299 N VAL A 83 -23.231 18.436 16.476 1.00 64.12 N ATOM 1300 CA VAL A 83 -22.042 17.816 15.901 1.00 14.23 C ATOM 1301 C VAL A 83 -22.103 17.820 14.378 1.00 43.10 C ATOM 1302 O VAL A 83 -21.071 17.803 13.706 1.00 54.42 O ATOM 1303 CB VAL A 83 -21.872 16.367 16.394 1.00 65.23 C ATOM 1304 CG1 VAL A 83 -21.904 16.312 17.913 1.00 34.44 C ATOM 1305 CG2 VAL A 83 -22.946 15.471 15.796 1.00 13.40 C ATOM 0 H VAL A 83 -23.713 17.863 17.168 1.00 64.12 H new ATOM 0 HA VAL A 83 -21.186 18.406 16.229 1.00 14.23 H new ATOM 0 HB VAL A 83 -20.900 16.001 16.062 1.00 65.23 H new ATOM 0 HG11 VAL A 83 -21.782 15.280 18.242 1.00 34.44 H new ATOM 0 HG12 VAL A 83 -21.094 16.919 18.316 1.00 34.44 H new ATOM 0 HG13 VAL A 83 -22.859 16.697 18.271 1.00 34.44 H new ATOM 0 HG21 VAL A 83 -22.810 14.451 16.155 1.00 13.40 H new ATOM 0 HG22 VAL A 83 -23.930 15.833 16.095 1.00 13.40 H new ATOM 0 HG23 VAL A 83 -22.869 15.486 14.709 1.00 13.40 H new ATOM 1315 N ARG A 84 -23.317 17.843 13.839 1.00 34.24 N ATOM 1316 CA ARG A 84 -23.513 17.848 12.395 1.00 44.34 C ATOM 1317 C ARG A 84 -22.637 18.907 11.732 1.00 44.34 C ATOM 1318 O ARG A 84 -22.171 18.727 10.606 1.00 75.00 O ATOM 1319 CB ARG A 84 -24.983 18.104 12.058 1.00 21.21 C ATOM 1320 CG ARG A 84 -25.242 18.305 10.574 1.00 0.20 C ATOM 1321 CD ARG A 84 -26.729 18.429 10.280 1.00 62.01 C ATOM 1322 NE ARG A 84 -27.245 19.753 10.618 1.00 73.42 N ATOM 1323 CZ ARG A 84 -27.058 20.829 9.863 1.00 3.40 C ATOM 1324 NH1 ARG A 84 -26.370 20.739 8.733 1.00 3.42 N ATOM 1325 NH2 ARG A 84 -27.559 21.999 10.238 1.00 52.43 N ATOM 0 H ARG A 84 -24.181 17.858 14.381 1.00 34.24 H new ATOM 0 HA ARG A 84 -23.225 16.869 12.012 1.00 44.34 H new ATOM 0 HB2 ARG A 84 -25.580 17.263 12.412 1.00 21.21 H new ATOM 0 HB3 ARG A 84 -25.323 18.986 12.600 1.00 21.21 H new ATOM 0 HG2 ARG A 84 -24.726 19.202 10.232 1.00 0.20 H new ATOM 0 HG3 ARG A 84 -24.828 17.466 10.014 1.00 0.20 H new ATOM 0 HD2 ARG A 84 -26.908 18.229 9.223 1.00 62.01 H new ATOM 0 HD3 ARG A 84 -27.274 17.672 10.844 1.00 62.01 H new ATOM 0 HE ARG A 84 -27.778 19.857 11.481 1.00 73.42 H new ATOM 0 HH11 ARG A 84 -25.983 19.841 8.442 1.00 3.42 H new ATOM 0 HH12 ARG A 84 -26.228 21.567 8.155 1.00 3.42 H new ATOM 0 HH21 ARG A 84 -28.088 22.072 11.107 1.00 52.43 H new ATOM 0 HH22 ARG A 84 -27.415 22.825 9.657 1.00 52.43 H new ATOM 1339 N TYR A 85 -22.416 20.011 12.437 1.00 54.33 N ATOM 1340 CA TYR A 85 -21.599 21.101 11.916 1.00 60.52 C ATOM 1341 C TYR A 85 -20.169 20.634 11.660 1.00 51.34 C ATOM 1342 O TYR A 85 -19.574 20.960 10.633 1.00 5.13 O ATOM 1343 CB TYR A 85 -21.596 22.277 12.894 1.00 72.33 C ATOM 1344 CG TYR A 85 -21.062 23.559 12.297 1.00 51.22 C ATOM 1345 CD1 TYR A 85 -21.859 24.355 11.484 1.00 14.40 C ATOM 1346 CD2 TYR A 85 -19.760 23.975 12.547 1.00 40.14 C ATOM 1347 CE1 TYR A 85 -21.375 25.527 10.936 1.00 11.30 C ATOM 1348 CE2 TYR A 85 -19.268 25.146 12.004 1.00 3.41 C ATOM 1349 CZ TYR A 85 -20.079 25.919 11.199 1.00 21.31 C ATOM 1350 OH TYR A 85 -19.593 27.086 10.656 1.00 13.23 O ATOM 0 H TYR A 85 -22.791 20.175 13.371 1.00 54.33 H new ATOM 0 HA TYR A 85 -22.032 21.426 10.970 1.00 60.52 H new ATOM 0 HB2 TYR A 85 -22.613 22.447 13.248 1.00 72.33 H new ATOM 0 HB3 TYR A 85 -20.995 22.013 13.764 1.00 72.33 H new ATOM 0 HD1 TYR A 85 -22.875 24.052 11.277 1.00 14.40 H new ATOM 0 HD2 TYR A 85 -19.122 23.373 13.177 1.00 40.14 H new ATOM 0 HE1 TYR A 85 -22.008 26.133 10.305 1.00 11.30 H new ATOM 0 HE2 TYR A 85 -18.254 25.455 12.209 1.00 3.41 H new ATOM 0 HH TYR A 85 -18.664 27.217 10.940 1.00 13.23 H new ATOM 1360 N GLU A 86 -19.626 19.869 12.601 1.00 64.22 N ATOM 1361 CA GLU A 86 -18.266 19.357 12.477 1.00 4.34 C ATOM 1362 C GLU A 86 -18.231 18.108 11.601 1.00 14.51 C ATOM 1363 O GLU A 86 -17.263 17.870 10.880 1.00 62.13 O ATOM 1364 CB GLU A 86 -17.689 19.040 13.859 1.00 40.32 C ATOM 1365 CG GLU A 86 -17.957 20.121 14.893 1.00 73.20 C ATOM 1366 CD GLU A 86 -16.701 20.555 15.622 1.00 1.32 C ATOM 1367 OE1 GLU A 86 -15.862 19.684 15.931 1.00 30.53 O ATOM 1368 OE2 GLU A 86 -16.557 21.768 15.883 1.00 2.15 O ATOM 0 H GLU A 86 -20.106 19.590 13.457 1.00 64.22 H new ATOM 0 HA GLU A 86 -17.657 20.128 12.004 1.00 4.34 H new ATOM 0 HB2 GLU A 86 -18.110 18.099 14.212 1.00 40.32 H new ATOM 0 HB3 GLU A 86 -16.613 18.894 13.769 1.00 40.32 H new ATOM 0 HG2 GLU A 86 -18.405 20.985 14.402 1.00 73.20 H new ATOM 0 HG3 GLU A 86 -18.684 19.754 15.617 1.00 73.20 H new ATOM 1375 N ARG A 87 -19.295 17.315 11.670 1.00 32.03 N ATOM 1376 CA ARG A 87 -19.387 16.090 10.885 1.00 21.24 C ATOM 1377 C ARG A 87 -19.372 16.399 9.391 1.00 4.12 C ATOM 1378 O ARG A 87 -18.638 15.774 8.626 1.00 31.23 O ATOM 1379 CB ARG A 87 -20.660 15.322 11.245 1.00 14.42 C ATOM 1380 CG ARG A 87 -20.913 14.113 10.360 1.00 32.11 C ATOM 1381 CD ARG A 87 -21.917 14.427 9.262 1.00 71.53 C ATOM 1382 NE ARG A 87 -22.487 13.215 8.678 1.00 25.24 N ATOM 1383 CZ ARG A 87 -23.193 13.203 7.554 1.00 72.44 C ATOM 1384 NH1 ARG A 87 -23.416 14.331 6.894 1.00 4.13 N ATOM 1385 NH2 ARG A 87 -23.678 12.060 7.086 1.00 75.40 N ATOM 0 H ARG A 87 -20.105 17.499 12.261 1.00 32.03 H new ATOM 0 HA ARG A 87 -18.520 15.472 11.120 1.00 21.24 H new ATOM 0 HB2 ARG A 87 -20.595 14.995 12.283 1.00 14.42 H new ATOM 0 HB3 ARG A 87 -21.513 15.997 11.176 1.00 14.42 H new ATOM 0 HG2 ARG A 87 -19.974 13.785 9.913 1.00 32.11 H new ATOM 0 HG3 ARG A 87 -21.283 13.287 10.967 1.00 32.11 H new ATOM 0 HD2 ARG A 87 -22.718 15.044 9.669 1.00 71.53 H new ATOM 0 HD3 ARG A 87 -21.430 15.011 8.481 1.00 71.53 H new ATOM 0 HE ARG A 87 -22.334 12.329 9.161 1.00 25.24 H new ATOM 0 HH11 ARG A 87 -23.045 15.212 7.250 1.00 4.13 H new ATOM 0 HH12 ARG A 87 -23.959 14.318 6.031 1.00 4.13 H new ATOM 0 HH21 ARG A 87 -23.508 11.190 7.590 1.00 75.40 H new ATOM 0 HH22 ARG A 87 -24.220 12.052 6.222 1.00 75.40 H new ATOM 1399 N GLU A 88 -20.187 17.367 8.984 1.00 3.10 N ATOM 1400 CA GLU A 88 -20.267 17.757 7.581 1.00 11.53 C ATOM 1401 C GLU A 88 -18.887 18.111 7.035 1.00 2.00 C ATOM 1402 O GLU A 88 -18.629 17.985 5.838 1.00 52.34 O ATOM 1403 CB GLU A 88 -21.214 18.947 7.414 1.00 52.54 C ATOM 1404 CG GLU A 88 -21.271 19.485 5.994 1.00 45.14 C ATOM 1405 CD GLU A 88 -22.503 20.331 5.739 1.00 42.24 C ATOM 1406 OE1 GLU A 88 -23.610 19.760 5.662 1.00 33.33 O ATOM 1407 OE2 GLU A 88 -22.359 21.566 5.616 1.00 62.23 O ATOM 0 H GLU A 88 -20.800 17.895 9.605 1.00 3.10 H new ATOM 0 HA GLU A 88 -20.655 16.910 7.016 1.00 11.53 H new ATOM 0 HB2 GLU A 88 -22.216 18.649 7.721 1.00 52.54 H new ATOM 0 HB3 GLU A 88 -20.900 19.747 8.084 1.00 52.54 H new ATOM 0 HG2 GLU A 88 -20.379 20.081 5.799 1.00 45.14 H new ATOM 0 HG3 GLU A 88 -21.256 18.651 5.293 1.00 45.14 H new ATOM 1414 N LYS A 89 -18.002 18.555 7.921 1.00 31.35 N ATOM 1415 CA LYS A 89 -16.647 18.927 7.531 1.00 74.41 C ATOM 1416 C LYS A 89 -15.971 17.793 6.767 1.00 61.21 C ATOM 1417 O LYS A 89 -15.289 18.025 5.769 1.00 73.42 O ATOM 1418 CB LYS A 89 -15.820 19.288 8.766 1.00 4.51 C ATOM 1419 CG LYS A 89 -14.837 20.422 8.529 1.00 65.22 C ATOM 1420 CD LYS A 89 -15.493 21.779 8.719 1.00 75.34 C ATOM 1421 CE LYS A 89 -14.834 22.843 7.855 1.00 22.02 C ATOM 1422 NZ LYS A 89 -15.316 22.793 6.447 1.00 34.43 N ATOM 0 H LYS A 89 -18.199 18.666 8.916 1.00 31.35 H new ATOM 0 HA LYS A 89 -16.709 19.796 6.877 1.00 74.41 H new ATOM 0 HB2 LYS A 89 -16.494 19.566 9.576 1.00 4.51 H new ATOM 0 HB3 LYS A 89 -15.272 18.406 9.096 1.00 4.51 H new ATOM 0 HG2 LYS A 89 -13.996 20.325 9.215 1.00 65.22 H new ATOM 0 HG3 LYS A 89 -14.434 20.350 7.519 1.00 65.22 H new ATOM 0 HD2 LYS A 89 -16.552 21.711 8.469 1.00 75.34 H new ATOM 0 HD3 LYS A 89 -15.431 22.071 9.767 1.00 75.34 H new ATOM 0 HE2 LYS A 89 -15.038 23.828 8.274 1.00 22.02 H new ATOM 0 HE3 LYS A 89 -13.753 22.707 7.873 1.00 22.02 H new ATOM 0 HZ1 LYS A 89 -14.843 23.534 5.892 1.00 34.43 H new ATOM 0 HZ2 LYS A 89 -15.098 21.862 6.038 1.00 34.43 H new ATOM 0 HZ3 LYS A 89 -16.344 22.948 6.426 1.00 34.43 H new ATOM 1436 N ALA A 90 -16.165 16.567 7.242 1.00 72.13 N ATOM 1437 CA ALA A 90 -15.577 15.397 6.601 1.00 43.30 C ATOM 1438 C ALA A 90 -15.916 15.357 5.115 1.00 71.51 C ATOM 1439 O ALA A 90 -15.026 15.358 4.266 1.00 44.02 O ATOM 1440 CB ALA A 90 -16.050 14.125 7.288 1.00 74.13 C ATOM 0 H ALA A 90 -16.725 16.358 8.069 1.00 72.13 H new ATOM 0 HA ALA A 90 -14.493 15.466 6.697 1.00 43.30 H new ATOM 0 HB1 ALA A 90 -15.603 13.260 6.799 1.00 74.13 H new ATOM 0 HB2 ALA A 90 -15.750 14.144 8.336 1.00 74.13 H new ATOM 0 HB3 ALA A 90 -17.136 14.058 7.222 1.00 74.13 H new ATOM 1446 N GLU A 91 -17.209 15.319 4.809 1.00 52.44 N ATOM 1447 CA GLU A 91 -17.665 15.276 3.424 1.00 3.41 C ATOM 1448 C GLU A 91 -17.192 16.508 2.657 1.00 14.45 C ATOM 1449 O GLU A 91 -17.137 16.504 1.427 1.00 2.15 O ATOM 1450 CB GLU A 91 -19.191 15.182 3.369 1.00 61.13 C ATOM 1451 CG GLU A 91 -19.742 13.892 3.952 1.00 34.13 C ATOM 1452 CD GLU A 91 -21.133 14.062 4.532 1.00 33.30 C ATOM 1453 OE1 GLU A 91 -21.689 15.175 4.423 1.00 61.10 O ATOM 1454 OE2 GLU A 91 -21.666 13.082 5.095 1.00 42.44 O ATOM 0 H GLU A 91 -17.959 15.317 5.501 1.00 52.44 H new ATOM 0 HA GLU A 91 -17.237 14.390 2.955 1.00 3.41 H new ATOM 0 HB2 GLU A 91 -19.618 16.027 3.909 1.00 61.13 H new ATOM 0 HB3 GLU A 91 -19.515 15.270 2.332 1.00 61.13 H new ATOM 0 HG2 GLU A 91 -19.767 13.128 3.175 1.00 34.13 H new ATOM 0 HG3 GLU A 91 -19.069 13.533 4.731 1.00 34.13 H new ATOM 1461 N TYR A 92 -16.854 17.561 3.393 1.00 41.51 N ATOM 1462 CA TYR A 92 -16.389 18.802 2.783 1.00 32.14 C ATOM 1463 C TYR A 92 -14.913 18.706 2.410 1.00 20.13 C ATOM 1464 O TYR A 92 -14.461 19.335 1.454 1.00 61.41 O ATOM 1465 CB TYR A 92 -16.610 19.977 3.737 1.00 53.31 C ATOM 1466 CG TYR A 92 -16.354 21.327 3.105 1.00 64.55 C ATOM 1467 CD1 TYR A 92 -15.080 21.882 3.100 1.00 41.13 C ATOM 1468 CD2 TYR A 92 -17.384 22.046 2.513 1.00 53.11 C ATOM 1469 CE1 TYR A 92 -14.841 23.115 2.524 1.00 64.22 C ATOM 1470 CE2 TYR A 92 -17.154 23.279 1.933 1.00 21.34 C ATOM 1471 CZ TYR A 92 -15.881 23.809 1.941 1.00 24.15 C ATOM 1472 OH TYR A 92 -15.647 25.037 1.366 1.00 13.25 O ATOM 0 H TYR A 92 -16.893 17.580 4.412 1.00 41.51 H new ATOM 0 HA TYR A 92 -16.965 18.968 1.873 1.00 32.14 H new ATOM 0 HB2 TYR A 92 -17.635 19.947 4.106 1.00 53.31 H new ATOM 0 HB3 TYR A 92 -15.956 19.860 4.601 1.00 53.31 H new ATOM 0 HD1 TYR A 92 -14.263 21.341 3.554 1.00 41.13 H new ATOM 0 HD2 TYR A 92 -18.382 21.634 2.506 1.00 53.11 H new ATOM 0 HE1 TYR A 92 -13.845 23.533 2.530 1.00 64.22 H new ATOM 0 HE2 TYR A 92 -17.967 23.824 1.476 1.00 21.34 H new ATOM 0 HH TYR A 92 -16.484 25.391 1.000 1.00 13.25 H new ATOM 1482 N ALA A 93 -14.167 17.913 3.173 1.00 51.21 N ATOM 1483 CA ALA A 93 -12.743 17.732 2.922 1.00 23.41 C ATOM 1484 C ALA A 93 -12.504 16.654 1.870 1.00 44.23 C ATOM 1485 O ALA A 93 -11.430 16.585 1.273 1.00 43.43 O ATOM 1486 CB ALA A 93 -12.020 17.380 4.214 1.00 70.20 C ATOM 0 H ALA A 93 -14.525 17.386 3.969 1.00 51.21 H new ATOM 0 HA ALA A 93 -12.344 18.672 2.539 1.00 23.41 H new ATOM 0 HB1 ALA A 93 -10.957 17.248 4.012 1.00 70.20 H new ATOM 0 HB2 ALA A 93 -12.154 18.185 4.937 1.00 70.20 H new ATOM 0 HB3 ALA A 93 -12.430 16.455 4.620 1.00 70.20 H new ATOM 1492 N GLN A 94 -13.511 15.816 1.649 1.00 63.53 N ATOM 1493 CA GLN A 94 -13.408 14.741 0.669 1.00 60.41 C ATOM 1494 C GLN A 94 -13.528 15.285 -0.751 1.00 24.22 C ATOM 1495 O GLN A 94 -12.911 14.763 -1.680 1.00 4.32 O ATOM 1496 CB GLN A 94 -14.491 13.690 0.918 1.00 73.30 C ATOM 1497 CG GLN A 94 -14.531 13.185 2.351 1.00 21.42 C ATOM 1498 CD GLN A 94 -14.602 11.673 2.435 1.00 22.44 C ATOM 1499 OE1 GLN A 94 -15.420 11.040 1.767 1.00 21.23 O ATOM 1500 NE2 GLN A 94 -13.742 11.084 3.259 1.00 12.41 N ATOM 0 H GLN A 94 -14.407 15.860 2.135 1.00 63.53 H new ATOM 0 HA GLN A 94 -12.428 14.276 0.779 1.00 60.41 H new ATOM 0 HB2 GLN A 94 -15.462 14.114 0.664 1.00 73.30 H new ATOM 0 HB3 GLN A 94 -14.327 12.846 0.249 1.00 73.30 H new ATOM 0 HG2 GLN A 94 -13.644 13.533 2.880 1.00 21.42 H new ATOM 0 HG3 GLN A 94 -15.394 13.614 2.860 1.00 21.42 H new ATOM 0 HE21 GLN A 94 -13.081 11.647 3.794 1.00 12.41 H new ATOM 0 HE22 GLN A 94 -13.743 10.069 3.357 1.00 12.41 H new ATOM 1509 N ARG A 95 -14.325 16.335 -0.911 1.00 53.52 N ATOM 1510 CA ARG A 95 -14.527 16.949 -2.218 1.00 40.22 C ATOM 1511 C ARG A 95 -13.333 17.820 -2.600 1.00 15.12 C ATOM 1512 O ARG A 95 -13.067 18.045 -3.781 1.00 14.14 O ATOM 1513 CB ARG A 95 -15.806 17.789 -2.219 1.00 63.01 C ATOM 1514 CG ARG A 95 -16.410 17.976 -3.601 1.00 52.20 C ATOM 1515 CD ARG A 95 -17.829 18.517 -3.520 1.00 34.43 C ATOM 1516 NE ARG A 95 -18.476 18.556 -4.829 1.00 1.14 N ATOM 1517 CZ ARG A 95 -19.698 19.036 -5.031 1.00 1.25 C ATOM 1518 NH1 ARG A 95 -20.402 19.515 -4.014 1.00 42.32 N ATOM 1519 NH2 ARG A 95 -20.218 19.038 -6.251 1.00 41.23 N ATOM 0 H ARG A 95 -14.842 16.779 -0.152 1.00 53.52 H new ATOM 0 HA ARG A 95 -14.624 16.152 -2.955 1.00 40.22 H new ATOM 0 HB2 ARG A 95 -16.543 17.315 -1.571 1.00 63.01 H new ATOM 0 HB3 ARG A 95 -15.588 18.768 -1.791 1.00 63.01 H new ATOM 0 HG2 ARG A 95 -15.791 18.661 -4.180 1.00 52.20 H new ATOM 0 HG3 ARG A 95 -16.412 17.023 -4.130 1.00 52.20 H new ATOM 0 HD2 ARG A 95 -18.416 17.895 -2.844 1.00 34.43 H new ATOM 0 HD3 ARG A 95 -17.811 19.520 -3.095 1.00 34.43 H new ATOM 0 HE ARG A 95 -17.961 18.195 -5.632 1.00 1.14 H new ATOM 0 HH11 ARG A 95 -20.005 19.515 -3.074 1.00 42.32 H new ATOM 0 HH12 ARG A 95 -21.340 19.883 -4.172 1.00 42.32 H new ATOM 0 HH21 ARG A 95 -19.679 18.671 -7.036 1.00 41.23 H new ATOM 0 HH22 ARG A 95 -21.156 19.407 -6.405 1.00 41.23 H new ATOM 1533 N LYS A 96 -12.618 18.308 -1.592 1.00 42.34 N ATOM 1534 CA LYS A 96 -11.452 19.154 -1.821 1.00 31.15 C ATOM 1535 C LYS A 96 -10.163 18.346 -1.707 1.00 53.10 C ATOM 1536 O LYS A 96 -9.065 18.899 -1.768 1.00 61.35 O ATOM 1537 CB LYS A 96 -11.432 20.311 -0.819 1.00 25.54 C ATOM 1538 CG LYS A 96 -12.197 21.536 -1.288 1.00 61.40 C ATOM 1539 CD LYS A 96 -13.678 21.238 -1.454 1.00 43.22 C ATOM 1540 CE LYS A 96 -14.528 22.467 -1.173 1.00 11.43 C ATOM 1541 NZ LYS A 96 -14.340 23.521 -2.209 1.00 34.25 N ATOM 0 H LYS A 96 -12.825 18.132 -0.609 1.00 42.34 H new ATOM 0 HA LYS A 96 -11.519 19.557 -2.831 1.00 31.15 H new ATOM 0 HB2 LYS A 96 -11.854 19.969 0.126 1.00 25.54 H new ATOM 0 HB3 LYS A 96 -10.397 20.592 -0.623 1.00 25.54 H new ATOM 0 HG2 LYS A 96 -12.066 22.345 -0.570 1.00 61.40 H new ATOM 0 HG3 LYS A 96 -11.786 21.882 -2.236 1.00 61.40 H new ATOM 0 HD2 LYS A 96 -13.868 20.887 -2.468 1.00 43.22 H new ATOM 0 HD3 LYS A 96 -13.966 20.433 -0.778 1.00 43.22 H new ATOM 0 HE2 LYS A 96 -15.579 22.180 -1.133 1.00 11.43 H new ATOM 0 HE3 LYS A 96 -14.270 22.870 -0.194 1.00 11.43 H new ATOM 0 HZ1 LYS A 96 -14.937 24.342 -1.981 1.00 34.25 H new ATOM 0 HZ2 LYS A 96 -13.342 23.813 -2.230 1.00 34.25 H new ATOM 0 HZ3 LYS A 96 -14.610 23.145 -3.140 1.00 34.25 H new ATOM 1555 N VAL A 97 -10.305 17.035 -1.542 1.00 63.45 N ATOM 1556 CA VAL A 97 -9.152 16.150 -1.423 1.00 45.32 C ATOM 1557 C VAL A 97 -8.173 16.366 -2.572 1.00 5.02 C ATOM 1558 O VAL A 97 -8.568 16.738 -3.677 1.00 21.15 O ATOM 1559 CB VAL A 97 -9.579 14.671 -1.398 1.00 70.25 C ATOM 1560 CG1 VAL A 97 -10.237 14.283 -2.714 1.00 21.11 C ATOM 1561 CG2 VAL A 97 -8.384 13.776 -1.106 1.00 42.24 C ATOM 0 H VAL A 97 -11.207 16.562 -1.488 1.00 63.45 H new ATOM 0 HA VAL A 97 -8.662 16.394 -0.481 1.00 45.32 H new ATOM 0 HB VAL A 97 -10.309 14.535 -0.600 1.00 70.25 H new ATOM 0 HG11 VAL A 97 -10.532 13.234 -2.678 1.00 21.11 H new ATOM 0 HG12 VAL A 97 -11.119 14.903 -2.877 1.00 21.11 H new ATOM 0 HG13 VAL A 97 -9.532 14.434 -3.532 1.00 21.11 H new ATOM 0 HG21 VAL A 97 -8.704 12.734 -1.092 1.00 42.24 H new ATOM 0 HG22 VAL A 97 -7.629 13.913 -1.880 1.00 42.24 H new ATOM 0 HG23 VAL A 97 -7.961 14.038 -0.136 1.00 42.24 H new TER 1571 VAL A 97