USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 539 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 28 MET CE :methyl -174:sc= -1.71 (180deg=-0.125) USER MOD Set 1.2: A 45 CYS SG : rot 78:sc= -2.57! USER MOD Set 2.1: A 1 MET CE :methyl 149:sc= -0.969 (180deg=-1.41) USER MOD Set 2.2: A 4 THR OG1 : rot 180:sc= -1.86! USER MOD Set 2.3: A 7 MET CE :methyl 179:sc= -0.0746 (180deg=-0.0526) USER MOD Single : A 1 MET N :NH3+ 166:sc= 0.562 (180deg=0.157) USER MOD Single : A 2 LYS NZ :NH3+ 154:sc= 0.589 (180deg=-0.16) USER MOD Single : A 5 LYS NZ :NH3+ 169:sc= -0.0016 (180deg=-0.1) USER MOD Single : A 14 GLN : amide:sc= 0.213 K(o=0.21,f=-10!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -81:sc= -0.85! USER MOD Single : A 25 ASN : amide:sc= 0.326 K(o=0.33,f=-0.39) USER MOD Single : A 26 ASN : amide:sc= 0.369 K(o=0.37,f=-0.33) USER MOD Single : A 29 HIS : no HD1:sc=-0.00389 X(o=-0.0039,f=-0.27) USER MOD Single : A 30 CYS SG : rot 41:sc= -0.0769 USER MOD Single : A 33 CYS SG : rot -8:sc= -3.92! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 142:sc= 0.672 USER MOD Single : A 37 MET CE :methyl 150:sc= -1.32 (180deg=-4.38!) USER MOD Single : A 40 SER OG : rot -112:sc= 0.737 USER MOD Single : A 48 HIS : no HD1:sc= -0.0423 X(o=-0.042,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= 1.12 (180deg=0.791) USER MOD Single : A 57 LYS NZ :NH3+ 135:sc= 0.28 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -3.26! C(o=-3.3!,f=-12!) USER MOD Single : A 62 TYR OH : rot -143:sc= 0.595 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.505 3.908 4.342 1.00 4.43 N ATOM 2 CA MET A 1 12.465 2.920 4.735 1.00 13.44 C ATOM 3 C MET A 1 12.201 1.935 3.583 1.00 33.14 C ATOM 4 O MET A 1 12.214 2.322 2.415 1.00 21.41 O ATOM 5 CB MET A 1 11.170 3.653 5.132 1.00 33.52 C ATOM 6 CG MET A 1 10.248 2.844 6.036 1.00 72.21 C ATOM 7 SD MET A 1 9.731 1.283 5.299 1.00 2.22 S ATOM 8 CE MET A 1 8.792 0.561 6.644 1.00 22.40 C ATOM 0 H1 MET A 1 13.507 4.698 5.019 1.00 4.43 H new ATOM 0 H2 MET A 1 14.438 3.449 4.343 1.00 4.43 H new ATOM 0 H3 MET A 1 13.298 4.269 3.389 1.00 4.43 H new ATOM 0 HA MET A 1 12.821 2.351 5.594 1.00 13.44 H new ATOM 0 HB2 MET A 1 11.432 4.583 5.637 1.00 33.52 H new ATOM 0 HB3 MET A 1 10.627 3.924 4.227 1.00 33.52 H new ATOM 0 HG2 MET A 1 10.757 2.643 6.979 1.00 72.21 H new ATOM 0 HG3 MET A 1 9.365 3.439 6.271 1.00 72.21 H new ATOM 0 HE1 MET A 1 7.995 -0.062 6.238 1.00 22.40 H new ATOM 0 HE2 MET A 1 9.451 -0.050 7.261 1.00 22.40 H new ATOM 0 HE3 MET A 1 8.358 1.355 7.252 1.00 22.40 H new ATOM 20 N LYS A 2 11.970 0.665 3.910 1.00 70.22 N ATOM 21 CA LYS A 2 11.778 -0.373 2.888 1.00 1.42 C ATOM 22 C LYS A 2 10.491 -1.188 3.143 1.00 3.25 C ATOM 23 O LYS A 2 10.441 -2.029 4.042 1.00 34.31 O ATOM 24 CB LYS A 2 13.009 -1.298 2.855 1.00 72.54 C ATOM 25 CG LYS A 2 13.117 -2.171 1.605 1.00 22.54 C ATOM 26 CD LYS A 2 13.263 -1.335 0.328 1.00 11.44 C ATOM 27 CE LYS A 2 14.438 -0.366 0.401 1.00 12.14 C ATOM 28 NZ LYS A 2 14.595 0.418 -0.855 1.00 60.35 N ATOM 0 H LYS A 2 11.911 0.326 4.870 1.00 70.22 H new ATOM 0 HA LYS A 2 11.666 0.114 1.919 1.00 1.42 H new ATOM 0 HB2 LYS A 2 13.908 -0.687 2.934 1.00 72.54 H new ATOM 0 HB3 LYS A 2 12.985 -1.944 3.732 1.00 72.54 H new ATOM 0 HG2 LYS A 2 13.974 -2.837 1.702 1.00 22.54 H new ATOM 0 HG3 LYS A 2 12.231 -2.801 1.526 1.00 22.54 H new ATOM 0 HD2 LYS A 2 13.396 -2.000 -0.525 1.00 11.44 H new ATOM 0 HD3 LYS A 2 12.344 -0.775 0.156 1.00 11.44 H new ATOM 0 HE2 LYS A 2 14.293 0.317 1.238 1.00 12.14 H new ATOM 0 HE3 LYS A 2 15.355 -0.922 0.598 1.00 12.14 H new ATOM 0 HZ1 LYS A 2 15.066 1.321 -0.644 1.00 60.35 H new ATOM 0 HZ2 LYS A 2 15.170 -0.123 -1.532 1.00 60.35 H new ATOM 0 HZ3 LYS A 2 13.659 0.604 -1.267 1.00 60.35 H new ATOM 42 N ILE A 3 9.456 -0.920 2.346 1.00 53.32 N ATOM 43 CA ILE A 3 8.155 -1.597 2.468 1.00 44.50 C ATOM 44 C ILE A 3 8.186 -3.024 1.886 1.00 43.35 C ATOM 45 O ILE A 3 8.812 -3.277 0.852 1.00 11.54 O ATOM 46 CB ILE A 3 7.043 -0.784 1.749 1.00 72.32 C ATOM 47 CG1 ILE A 3 6.922 0.628 2.349 1.00 52.12 C ATOM 48 CG2 ILE A 3 5.698 -1.510 1.815 1.00 61.05 C ATOM 49 CD1 ILE A 3 6.498 0.647 3.807 1.00 75.32 C ATOM 0 H ILE A 3 9.491 -0.229 1.597 1.00 53.32 H new ATOM 0 HA ILE A 3 7.937 -1.663 3.534 1.00 44.50 H new ATOM 0 HB ILE A 3 7.326 -0.690 0.701 1.00 72.32 H new ATOM 0 HG12 ILE A 3 7.882 1.135 2.254 1.00 52.12 H new ATOM 0 HG13 ILE A 3 6.201 1.199 1.764 1.00 52.12 H new ATOM 0 HG21 ILE A 3 4.939 -0.918 1.304 1.00 61.05 H new ATOM 0 HG22 ILE A 3 5.786 -2.483 1.331 1.00 61.05 H new ATOM 0 HG23 ILE A 3 5.410 -1.648 2.857 1.00 61.05 H new ATOM 0 HD11 ILE A 3 6.436 1.678 4.155 1.00 75.32 H new ATOM 0 HD12 ILE A 3 5.523 0.171 3.909 1.00 75.32 H new ATOM 0 HD13 ILE A 3 7.230 0.106 4.406 1.00 75.32 H new ATOM 61 N THR A 4 7.491 -3.949 2.545 1.00 35.23 N ATOM 62 CA THR A 4 7.392 -5.341 2.077 1.00 75.53 C ATOM 63 C THR A 4 5.924 -5.739 1.880 1.00 54.14 C ATOM 64 O THR A 4 5.034 -5.168 2.511 1.00 12.24 O ATOM 65 CB THR A 4 8.047 -6.329 3.071 1.00 41.51 C ATOM 66 OG1 THR A 4 7.309 -6.360 4.303 1.00 12.44 O ATOM 67 CG2 THR A 4 9.496 -5.944 3.352 1.00 54.02 C ATOM 0 H THR A 4 6.983 -3.764 3.410 1.00 35.23 H new ATOM 0 HA THR A 4 7.924 -5.395 1.127 1.00 75.53 H new ATOM 0 HB THR A 4 8.032 -7.319 2.616 1.00 41.51 H new ATOM 0 HG1 THR A 4 7.733 -6.990 4.922 1.00 12.44 H new ATOM 0 HG21 THR A 4 9.932 -6.655 4.054 1.00 54.02 H new ATOM 0 HG22 THR A 4 10.063 -5.958 2.421 1.00 54.02 H new ATOM 0 HG23 THR A 4 9.530 -4.943 3.782 1.00 54.02 H new ATOM 75 N LYS A 5 5.658 -6.721 1.017 1.00 12.21 N ATOM 76 CA LYS A 5 4.274 -7.124 0.735 1.00 44.41 C ATOM 77 C LYS A 5 3.622 -7.829 1.940 1.00 40.55 C ATOM 78 O LYS A 5 2.396 -7.944 2.015 1.00 33.33 O ATOM 79 CB LYS A 5 4.208 -8.017 -0.513 1.00 34.43 C ATOM 80 CG LYS A 5 4.932 -9.350 -0.379 1.00 21.22 C ATOM 81 CD LYS A 5 4.787 -10.191 -1.646 1.00 4.25 C ATOM 82 CE LYS A 5 5.552 -9.601 -2.825 1.00 70.11 C ATOM 83 NZ LYS A 5 7.024 -9.672 -2.621 1.00 62.41 N ATOM 0 H LYS A 5 6.368 -7.246 0.507 1.00 12.21 H new ATOM 0 HA LYS A 5 3.707 -6.213 0.543 1.00 44.41 H new ATOM 0 HB2 LYS A 5 3.162 -8.209 -0.751 1.00 34.43 H new ATOM 0 HB3 LYS A 5 4.632 -7.472 -1.356 1.00 34.43 H new ATOM 0 HG2 LYS A 5 5.988 -9.174 -0.176 1.00 21.22 H new ATOM 0 HG3 LYS A 5 4.531 -9.900 0.473 1.00 21.22 H new ATOM 0 HD2 LYS A 5 5.147 -11.201 -1.452 1.00 4.25 H new ATOM 0 HD3 LYS A 5 3.732 -10.273 -1.906 1.00 4.25 H new ATOM 0 HE2 LYS A 5 5.285 -10.137 -3.736 1.00 70.11 H new ATOM 0 HE3 LYS A 5 5.255 -8.562 -2.968 1.00 70.11 H new ATOM 0 HZ1 LYS A 5 7.509 -9.437 -3.510 1.00 62.41 H new ATOM 0 HZ2 LYS A 5 7.305 -8.995 -1.883 1.00 62.41 H new ATOM 0 HZ3 LYS A 5 7.288 -10.634 -2.326 1.00 62.41 H new ATOM 97 N ASP A 6 4.446 -8.295 2.878 1.00 51.20 N ATOM 98 CA ASP A 6 3.950 -8.927 4.105 1.00 4.24 C ATOM 99 C ASP A 6 3.393 -7.877 5.088 1.00 2.14 C ATOM 100 O ASP A 6 2.643 -8.207 6.011 1.00 70.41 O ATOM 101 CB ASP A 6 5.072 -9.744 4.763 1.00 21.23 C ATOM 102 CG ASP A 6 4.597 -10.523 5.980 1.00 73.22 C ATOM 103 OD1 ASP A 6 3.960 -11.582 5.806 1.00 34.41 O ATOM 104 OD2 ASP A 6 4.869 -10.089 7.121 1.00 3.31 O ATOM 0 H ASP A 6 5.463 -8.248 2.813 1.00 51.20 H new ATOM 0 HA ASP A 6 3.132 -9.597 3.840 1.00 4.24 H new ATOM 0 HB2 ASP A 6 5.487 -10.438 4.032 1.00 21.23 H new ATOM 0 HB3 ASP A 6 5.879 -9.073 5.059 1.00 21.23 H new ATOM 109 N MET A 7 3.757 -6.612 4.879 1.00 40.14 N ATOM 110 CA MET A 7 3.265 -5.512 5.720 1.00 74.53 C ATOM 111 C MET A 7 1.749 -5.296 5.552 1.00 51.41 C ATOM 112 O MET A 7 1.183 -5.548 4.485 1.00 53.51 O ATOM 113 CB MET A 7 4.017 -4.212 5.391 1.00 0.14 C ATOM 114 CG MET A 7 5.485 -4.238 5.784 1.00 4.41 C ATOM 115 SD MET A 7 6.354 -2.725 5.325 1.00 63.03 S ATOM 116 CE MET A 7 7.984 -3.060 5.990 1.00 43.34 C ATOM 0 H MET A 7 4.391 -6.320 4.135 1.00 40.14 H new ATOM 0 HA MET A 7 3.451 -5.787 6.758 1.00 74.53 H new ATOM 0 HB2 MET A 7 3.940 -4.019 4.321 1.00 0.14 H new ATOM 0 HB3 MET A 7 3.528 -3.381 5.900 1.00 0.14 H new ATOM 0 HG2 MET A 7 5.566 -4.387 6.861 1.00 4.41 H new ATOM 0 HG3 MET A 7 5.970 -5.090 5.307 1.00 4.41 H new ATOM 0 HE1 MET A 7 8.646 -2.222 5.771 1.00 43.34 H new ATOM 0 HE2 MET A 7 7.916 -3.196 7.069 1.00 43.34 H new ATOM 0 HE3 MET A 7 8.383 -3.966 5.535 1.00 43.34 H new ATOM 126 N ILE A 8 1.100 -4.827 6.615 1.00 50.33 N ATOM 127 CA ILE A 8 -0.344 -4.575 6.606 1.00 31.44 C ATOM 128 C ILE A 8 -0.675 -3.247 5.907 1.00 12.44 C ATOM 129 O ILE A 8 -0.054 -2.223 6.189 1.00 10.22 O ATOM 130 CB ILE A 8 -0.907 -4.534 8.051 1.00 43.21 C ATOM 131 CG1 ILE A 8 -0.610 -5.853 8.785 1.00 31.02 C ATOM 132 CG2 ILE A 8 -2.407 -4.237 8.045 1.00 43.43 C ATOM 133 CD1 ILE A 8 -1.221 -7.078 8.134 1.00 71.41 C ATOM 0 H ILE A 8 1.554 -4.611 7.503 1.00 50.33 H new ATOM 0 HA ILE A 8 -0.808 -5.394 6.056 1.00 31.44 H new ATOM 0 HB ILE A 8 -0.409 -3.726 8.588 1.00 43.21 H new ATOM 0 HG12 ILE A 8 0.470 -5.988 8.844 1.00 31.02 H new ATOM 0 HG13 ILE A 8 -0.978 -5.777 9.808 1.00 31.02 H new ATOM 0 HG21 ILE A 8 -2.777 -4.214 9.070 1.00 43.43 H new ATOM 0 HG22 ILE A 8 -2.585 -3.271 7.573 1.00 43.43 H new ATOM 0 HG23 ILE A 8 -2.930 -5.015 7.488 1.00 43.43 H new ATOM 0 HD11 ILE A 8 -0.964 -7.965 8.714 1.00 71.41 H new ATOM 0 HD12 ILE A 8 -2.305 -6.969 8.099 1.00 71.41 H new ATOM 0 HD13 ILE A 8 -0.834 -7.183 7.120 1.00 71.41 H new ATOM 145 N ILE A 9 -1.664 -3.263 5.014 1.00 0.12 N ATOM 146 CA ILE A 9 -2.079 -2.047 4.297 1.00 23.13 C ATOM 147 C ILE A 9 -2.449 -0.917 5.276 1.00 30.13 C ATOM 148 O ILE A 9 -1.976 0.214 5.144 1.00 40.44 O ATOM 149 CB ILE A 9 -3.275 -2.334 3.351 1.00 51.55 C ATOM 150 CG1 ILE A 9 -2.874 -3.381 2.295 1.00 12.13 C ATOM 151 CG2 ILE A 9 -3.764 -1.045 2.682 1.00 72.11 C ATOM 152 CD1 ILE A 9 -3.962 -3.694 1.286 1.00 0.10 C ATOM 0 H ILE A 9 -2.194 -4.099 4.767 1.00 0.12 H new ATOM 0 HA ILE A 9 -1.228 -1.723 3.698 1.00 23.13 H new ATOM 0 HB ILE A 9 -4.098 -2.734 3.943 1.00 51.55 H new ATOM 0 HG12 ILE A 9 -1.992 -3.025 1.763 1.00 12.13 H new ATOM 0 HG13 ILE A 9 -2.589 -4.302 2.803 1.00 12.13 H new ATOM 0 HG21 ILE A 9 -4.603 -1.272 2.024 1.00 72.11 H new ATOM 0 HG22 ILE A 9 -4.084 -0.337 3.447 1.00 72.11 H new ATOM 0 HG23 ILE A 9 -2.953 -0.608 2.099 1.00 72.11 H new ATOM 0 HD11 ILE A 9 -3.599 -4.440 0.579 1.00 0.10 H new ATOM 0 HD12 ILE A 9 -4.838 -4.083 1.805 1.00 0.10 H new ATOM 0 HD13 ILE A 9 -4.232 -2.785 0.748 1.00 0.10 H new ATOM 164 N ALA A 10 -3.280 -1.237 6.268 1.00 35.40 N ATOM 165 CA ALA A 10 -3.660 -0.267 7.305 1.00 73.44 C ATOM 166 C ALA A 10 -2.436 0.262 8.079 1.00 4.41 C ATOM 167 O ALA A 10 -2.423 1.410 8.526 1.00 63.21 O ATOM 168 CB ALA A 10 -4.662 -0.891 8.271 1.00 53.45 C ATOM 0 H ALA A 10 -3.704 -2.158 6.379 1.00 35.40 H new ATOM 0 HA ALA A 10 -4.123 0.582 6.802 1.00 73.44 H new ATOM 0 HB1 ALA A 10 -4.935 -0.162 9.034 1.00 53.45 H new ATOM 0 HB2 ALA A 10 -5.554 -1.195 7.724 1.00 53.45 H new ATOM 0 HB3 ALA A 10 -4.214 -1.763 8.747 1.00 53.45 H new ATOM 174 N ASP A 11 -1.407 -0.576 8.227 1.00 53.01 N ATOM 175 CA ASP A 11 -0.183 -0.184 8.939 1.00 43.15 C ATOM 176 C ASP A 11 0.685 0.756 8.084 1.00 2.40 C ATOM 177 O ASP A 11 1.276 1.712 8.598 1.00 54.04 O ATOM 178 CB ASP A 11 0.613 -1.428 9.348 1.00 51.13 C ATOM 179 CG ASP A 11 1.885 -1.080 10.104 1.00 41.42 C ATOM 180 OD1 ASP A 11 1.788 -0.533 11.220 1.00 35.23 O ATOM 181 OD2 ASP A 11 2.986 -1.340 9.580 1.00 51.44 O ATOM 0 H ASP A 11 -1.395 -1.529 7.865 1.00 53.01 H new ATOM 0 HA ASP A 11 -0.474 0.360 9.838 1.00 43.15 H new ATOM 0 HB2 ASP A 11 -0.013 -2.068 9.970 1.00 51.13 H new ATOM 0 HB3 ASP A 11 0.869 -2.002 8.457 1.00 51.13 H new ATOM 186 N VAL A 12 0.757 0.487 6.780 1.00 14.35 N ATOM 187 CA VAL A 12 1.434 1.392 5.844 1.00 32.44 C ATOM 188 C VAL A 12 0.763 2.777 5.863 1.00 63.21 C ATOM 189 O VAL A 12 1.434 3.813 5.842 1.00 62.52 O ATOM 190 CB VAL A 12 1.429 0.827 4.397 1.00 20.02 C ATOM 191 CG1 VAL A 12 2.167 1.763 3.438 1.00 2.03 C ATOM 192 CG2 VAL A 12 2.035 -0.577 4.364 1.00 1.12 C ATOM 0 H VAL A 12 0.358 -0.346 6.347 1.00 14.35 H new ATOM 0 HA VAL A 12 2.471 1.485 6.168 1.00 32.44 H new ATOM 0 HB VAL A 12 0.393 0.759 4.064 1.00 20.02 H new ATOM 0 HG11 VAL A 12 2.148 1.343 2.433 1.00 2.03 H new ATOM 0 HG12 VAL A 12 1.679 2.738 3.433 1.00 2.03 H new ATOM 0 HG13 VAL A 12 3.201 1.877 3.764 1.00 2.03 H new ATOM 0 HG21 VAL A 12 2.022 -0.955 3.342 1.00 1.12 H new ATOM 0 HG22 VAL A 12 3.063 -0.538 4.724 1.00 1.12 H new ATOM 0 HG23 VAL A 12 1.452 -1.240 5.003 1.00 1.12 H new ATOM 202 N LEU A 13 -0.568 2.779 5.936 1.00 21.51 N ATOM 203 CA LEU A 13 -1.347 4.019 6.074 1.00 11.11 C ATOM 204 C LEU A 13 -1.000 4.765 7.374 1.00 15.42 C ATOM 205 O LEU A 13 -1.179 5.979 7.468 1.00 23.30 O ATOM 206 CB LEU A 13 -2.851 3.711 6.039 1.00 54.24 C ATOM 207 CG LEU A 13 -3.377 3.138 4.711 1.00 4.31 C ATOM 208 CD1 LEU A 13 -4.863 2.802 4.819 1.00 43.11 C ATOM 209 CD2 LEU A 13 -3.123 4.116 3.562 1.00 75.32 C ATOM 0 H LEU A 13 -1.136 1.933 5.902 1.00 21.51 H new ATOM 0 HA LEU A 13 -1.088 4.663 5.234 1.00 11.11 H new ATOM 0 HB2 LEU A 13 -3.078 3.003 6.836 1.00 54.24 H new ATOM 0 HB3 LEU A 13 -3.398 4.627 6.261 1.00 54.24 H new ATOM 0 HG LEU A 13 -2.835 2.216 4.498 1.00 4.31 H new ATOM 0 HD11 LEU A 13 -5.215 2.398 3.870 1.00 43.11 H new ATOM 0 HD12 LEU A 13 -5.013 2.062 5.605 1.00 43.11 H new ATOM 0 HD13 LEU A 13 -5.424 3.705 5.059 1.00 43.11 H new ATOM 0 HD21 LEU A 13 -3.502 3.692 2.632 1.00 75.32 H new ATOM 0 HD22 LEU A 13 -3.633 5.057 3.766 1.00 75.32 H new ATOM 0 HD23 LEU A 13 -2.052 4.297 3.468 1.00 75.32 H new ATOM 221 N GLN A 14 -0.522 4.030 8.381 1.00 71.03 N ATOM 222 CA GLN A 14 -0.066 4.642 9.635 1.00 14.02 C ATOM 223 C GLN A 14 1.284 5.353 9.445 1.00 44.50 C ATOM 224 O GLN A 14 1.561 6.361 10.091 1.00 5.41 O ATOM 225 CB GLN A 14 0.047 3.589 10.747 1.00 21.01 C ATOM 226 CG GLN A 14 -1.285 2.966 11.161 1.00 2.32 C ATOM 227 CD GLN A 14 -2.196 3.920 11.923 1.00 2.12 C ATOM 228 OE1 GLN A 14 -2.174 5.131 11.719 1.00 71.13 O ATOM 229 NE2 GLN A 14 -3.002 3.381 12.815 1.00 34.12 N ATOM 0 H GLN A 14 -0.440 3.014 8.355 1.00 71.03 H new ATOM 0 HA GLN A 14 -0.809 5.384 9.929 1.00 14.02 H new ATOM 0 HB2 GLN A 14 0.717 2.797 10.414 1.00 21.01 H new ATOM 0 HB3 GLN A 14 0.507 4.049 11.622 1.00 21.01 H new ATOM 0 HG2 GLN A 14 -1.805 2.615 10.269 1.00 2.32 H new ATOM 0 HG3 GLN A 14 -1.090 2.091 11.781 1.00 2.32 H new ATOM 0 HE21 GLN A 14 -2.998 2.372 12.962 1.00 34.12 H new ATOM 0 HE22 GLN A 14 -3.630 3.973 13.358 1.00 34.12 H new ATOM 238 N MET A 15 2.119 4.820 8.551 1.00 53.23 N ATOM 239 CA MET A 15 3.416 5.441 8.237 1.00 71.22 C ATOM 240 C MET A 15 3.203 6.734 7.441 1.00 34.41 C ATOM 241 O MET A 15 3.899 7.734 7.639 1.00 62.52 O ATOM 242 CB MET A 15 4.301 4.483 7.427 1.00 32.33 C ATOM 243 CG MET A 15 4.268 3.049 7.920 1.00 74.31 C ATOM 244 SD MET A 15 5.473 1.997 7.083 1.00 2.53 S ATOM 245 CE MET A 15 5.072 0.394 7.777 1.00 61.14 C ATOM 0 H MET A 15 1.926 3.964 8.032 1.00 53.23 H new ATOM 0 HA MET A 15 3.917 5.670 9.178 1.00 71.22 H new ATOM 0 HB2 MET A 15 3.984 4.506 6.384 1.00 32.33 H new ATOM 0 HB3 MET A 15 5.329 4.843 7.455 1.00 32.33 H new ATOM 0 HG2 MET A 15 4.461 3.033 8.993 1.00 74.31 H new ATOM 0 HG3 MET A 15 3.269 2.640 7.770 1.00 74.31 H new ATOM 0 HE1 MET A 15 5.734 -0.361 7.354 1.00 61.14 H new ATOM 0 HE2 MET A 15 5.199 0.424 8.859 1.00 61.14 H new ATOM 0 HE3 MET A 15 4.038 0.143 7.540 1.00 61.14 H new ATOM 255 N ASP A 16 2.238 6.686 6.528 1.00 55.04 N ATOM 256 CA ASP A 16 1.851 7.859 5.737 1.00 74.41 C ATOM 257 C ASP A 16 0.440 7.684 5.143 1.00 20.12 C ATOM 258 O ASP A 16 0.138 6.665 4.518 1.00 0.21 O ATOM 259 CB ASP A 16 2.872 8.096 4.612 1.00 54.32 C ATOM 260 CG ASP A 16 2.757 9.471 3.971 1.00 41.12 C ATOM 261 OD1 ASP A 16 1.738 10.162 4.174 1.00 3.03 O ATOM 262 OD2 ASP A 16 3.699 9.880 3.270 1.00 50.15 O ATOM 0 H ASP A 16 1.704 5.844 6.314 1.00 55.04 H new ATOM 0 HA ASP A 16 1.837 8.726 6.397 1.00 74.41 H new ATOM 0 HB2 ASP A 16 3.878 7.973 5.013 1.00 54.32 H new ATOM 0 HB3 ASP A 16 2.739 7.333 3.845 1.00 54.32 H new ATOM 267 N ARG A 17 -0.414 8.693 5.326 1.00 11.13 N ATOM 268 CA ARG A 17 -1.777 8.661 4.785 1.00 22.33 C ATOM 269 C ARG A 17 -1.756 8.806 3.251 1.00 21.21 C ATOM 270 O ARG A 17 -2.693 8.396 2.559 1.00 32.15 O ATOM 271 CB ARG A 17 -2.625 9.791 5.396 1.00 63.24 C ATOM 272 CG ARG A 17 -2.503 9.928 6.914 1.00 21.40 C ATOM 273 CD ARG A 17 -2.948 8.674 7.661 1.00 61.55 C ATOM 274 NE ARG A 17 -2.883 8.858 9.113 1.00 34.25 N ATOM 275 CZ ARG A 17 -2.819 7.882 9.979 1.00 13.23 C ATOM 276 NH1 ARG A 17 -2.764 6.651 9.584 1.00 31.45 N ATOM 277 NH2 ARG A 17 -2.794 8.148 11.246 1.00 53.00 N ATOM 0 H ARG A 17 -0.188 9.542 5.844 1.00 11.13 H new ATOM 0 HA ARG A 17 -2.220 7.700 5.045 1.00 22.33 H new ATOM 0 HB2 ARG A 17 -2.335 10.735 4.935 1.00 63.24 H new ATOM 0 HB3 ARG A 17 -3.671 9.620 5.143 1.00 63.24 H new ATOM 0 HG2 ARG A 17 -1.467 10.150 7.172 1.00 21.40 H new ATOM 0 HG3 ARG A 17 -3.103 10.775 7.247 1.00 21.40 H new ATOM 0 HD2 ARG A 17 -3.968 8.420 7.371 1.00 61.55 H new ATOM 0 HD3 ARG A 17 -2.316 7.834 7.372 1.00 61.55 H new ATOM 0 HE ARG A 17 -2.888 9.813 9.472 1.00 34.25 H new ATOM 0 HH11 ARG A 17 -2.770 6.434 8.587 1.00 31.45 H new ATOM 0 HH12 ARG A 17 -2.714 5.897 10.269 1.00 31.45 H new ATOM 0 HH21 ARG A 17 -2.824 9.117 11.564 1.00 53.00 H new ATOM 0 HH22 ARG A 17 -2.744 7.389 11.926 1.00 53.00 H new ATOM 291 N GLY A 18 -0.672 9.386 2.726 1.00 1.34 N ATOM 292 CA GLY A 18 -0.540 9.608 1.287 1.00 41.12 C ATOM 293 C GLY A 18 -0.233 8.337 0.493 1.00 63.21 C ATOM 294 O GLY A 18 -0.057 8.387 -0.723 1.00 62.43 O ATOM 0 H GLY A 18 0.124 9.709 3.276 1.00 1.34 H new ATOM 0 HA2 GLY A 18 -1.464 10.047 0.910 1.00 41.12 H new ATOM 0 HA3 GLY A 18 0.253 10.335 1.112 1.00 41.12 H new ATOM 298 N THR A 19 -0.167 7.195 1.175 1.00 14.21 N ATOM 299 CA THR A 19 0.068 5.904 0.506 1.00 24.13 C ATOM 300 C THR A 19 -1.231 5.321 -0.069 1.00 11.53 C ATOM 301 O THR A 19 -1.200 4.465 -0.954 1.00 73.11 O ATOM 302 CB THR A 19 0.689 4.866 1.467 1.00 1.24 C ATOM 303 OG1 THR A 19 -0.184 4.649 2.585 1.00 55.13 O ATOM 304 CG2 THR A 19 2.053 5.329 1.966 1.00 54.22 C ATOM 0 H THR A 19 -0.272 7.131 2.188 1.00 14.21 H new ATOM 0 HA THR A 19 0.766 6.107 -0.306 1.00 24.13 H new ATOM 0 HB THR A 19 0.820 3.933 0.919 1.00 1.24 H new ATOM 0 HG1 THR A 19 -0.053 5.361 3.245 1.00 55.13 H new ATOM 0 HG21 THR A 19 2.467 4.580 2.641 1.00 54.22 H new ATOM 0 HG22 THR A 19 2.724 5.464 1.118 1.00 54.22 H new ATOM 0 HG23 THR A 19 1.944 6.275 2.497 1.00 54.22 H new ATOM 312 N ALA A 20 -2.371 5.804 0.428 1.00 2.02 N ATOM 313 CA ALA A 20 -3.689 5.334 -0.028 1.00 30.03 C ATOM 314 C ALA A 20 -3.851 5.408 -1.566 1.00 22.22 C ATOM 315 O ALA A 20 -4.222 4.413 -2.192 1.00 32.41 O ATOM 316 CB ALA A 20 -4.805 6.108 0.673 1.00 52.45 C ATOM 0 H ALA A 20 -2.412 6.524 1.150 1.00 2.02 H new ATOM 0 HA ALA A 20 -3.762 4.281 0.243 1.00 30.03 H new ATOM 0 HB1 ALA A 20 -5.773 5.748 0.324 1.00 52.45 H new ATOM 0 HB2 ALA A 20 -4.730 5.960 1.750 1.00 52.45 H new ATOM 0 HB3 ALA A 20 -4.710 7.170 0.446 1.00 52.45 H new ATOM 322 N PRO A 21 -3.563 6.571 -2.212 1.00 72.41 N ATOM 323 CA PRO A 21 -3.682 6.703 -3.677 1.00 70.01 C ATOM 324 C PRO A 21 -2.786 5.711 -4.443 1.00 33.32 C ATOM 325 O PRO A 21 -3.037 5.408 -5.612 1.00 22.54 O ATOM 326 CB PRO A 21 -3.249 8.155 -3.955 1.00 24.35 C ATOM 327 CG PRO A 21 -2.487 8.571 -2.743 1.00 32.31 C ATOM 328 CD PRO A 21 -3.115 7.833 -1.593 1.00 24.43 C ATOM 0 HA PRO A 21 -4.694 6.479 -4.015 1.00 70.01 H new ATOM 0 HB2 PRO A 21 -2.631 8.218 -4.850 1.00 24.35 H new ATOM 0 HB3 PRO A 21 -4.113 8.800 -4.118 1.00 24.35 H new ATOM 0 HG2 PRO A 21 -1.431 8.319 -2.839 1.00 32.31 H new ATOM 0 HG3 PRO A 21 -2.546 9.649 -2.595 1.00 32.31 H new ATOM 0 HD2 PRO A 21 -2.401 7.657 -0.789 1.00 24.43 H new ATOM 0 HD3 PRO A 21 -3.948 8.389 -1.163 1.00 24.43 H new ATOM 336 N ILE A 22 -1.744 5.205 -3.782 1.00 74.34 N ATOM 337 CA ILE A 22 -0.868 4.190 -4.379 1.00 14.51 C ATOM 338 C ILE A 22 -1.572 2.827 -4.408 1.00 21.20 C ATOM 339 O ILE A 22 -1.563 2.129 -5.427 1.00 30.02 O ATOM 340 CB ILE A 22 0.465 4.061 -3.604 1.00 72.21 C ATOM 341 CG1 ILE A 22 1.157 5.429 -3.508 1.00 43.44 C ATOM 342 CG2 ILE A 22 1.383 3.033 -4.269 1.00 13.12 C ATOM 343 CD1 ILE A 22 2.431 5.413 -2.692 1.00 72.35 C ATOM 0 H ILE A 22 -1.484 5.479 -2.835 1.00 74.34 H new ATOM 0 HA ILE A 22 -0.646 4.511 -5.397 1.00 14.51 H new ATOM 0 HB ILE A 22 0.247 3.712 -2.595 1.00 72.21 H new ATOM 0 HG12 ILE A 22 1.385 5.782 -4.514 1.00 43.44 H new ATOM 0 HG13 ILE A 22 0.464 6.146 -3.068 1.00 43.44 H new ATOM 0 HG21 ILE A 22 2.314 2.959 -3.707 1.00 13.12 H new ATOM 0 HG22 ILE A 22 0.890 2.061 -4.284 1.00 13.12 H new ATOM 0 HG23 ILE A 22 1.600 3.346 -5.290 1.00 13.12 H new ATOM 0 HD11 ILE A 22 2.862 6.414 -2.670 1.00 72.35 H new ATOM 0 HD12 ILE A 22 2.207 5.092 -1.675 1.00 72.35 H new ATOM 0 HD13 ILE A 22 3.143 4.722 -3.143 1.00 72.35 H new ATOM 355 N PHE A 23 -2.189 2.453 -3.288 1.00 35.15 N ATOM 356 CA PHE A 23 -3.010 1.240 -3.233 1.00 2.02 C ATOM 357 C PHE A 23 -4.158 1.326 -4.251 1.00 24.51 C ATOM 358 O PHE A 23 -4.426 0.378 -4.993 1.00 4.12 O ATOM 359 CB PHE A 23 -3.572 1.025 -1.818 1.00 33.53 C ATOM 360 CG PHE A 23 -2.521 0.734 -0.773 1.00 72.43 C ATOM 361 CD1 PHE A 23 -1.844 -0.478 -0.774 1.00 43.03 C ATOM 362 CD2 PHE A 23 -2.212 1.665 0.213 1.00 54.33 C ATOM 363 CE1 PHE A 23 -0.886 -0.757 0.181 1.00 62.42 C ATOM 364 CE2 PHE A 23 -1.255 1.388 1.172 1.00 5.22 C ATOM 365 CZ PHE A 23 -0.590 0.178 1.154 1.00 42.44 C ATOM 0 H PHE A 23 -2.138 2.968 -2.409 1.00 35.15 H new ATOM 0 HA PHE A 23 -2.378 0.389 -3.485 1.00 2.02 H new ATOM 0 HB2 PHE A 23 -4.128 1.914 -1.521 1.00 33.53 H new ATOM 0 HB3 PHE A 23 -4.282 0.199 -1.843 1.00 33.53 H new ATOM 0 HD1 PHE A 23 -2.070 -1.213 -1.532 1.00 43.03 H new ATOM 0 HD2 PHE A 23 -2.725 2.615 0.230 1.00 54.33 H new ATOM 0 HE1 PHE A 23 -0.369 -1.705 0.167 1.00 62.42 H new ATOM 0 HE2 PHE A 23 -1.028 2.118 1.935 1.00 5.22 H new ATOM 0 HZ PHE A 23 0.161 -0.037 1.900 1.00 42.44 H new ATOM 375 N ILE A 24 -4.821 2.481 -4.291 1.00 21.14 N ATOM 376 CA ILE A 24 -5.886 2.737 -5.266 1.00 54.15 C ATOM 377 C ILE A 24 -5.346 2.672 -6.709 1.00 64.43 C ATOM 378 O ILE A 24 -6.021 2.181 -7.615 1.00 63.33 O ATOM 379 CB ILE A 24 -6.549 4.119 -5.020 1.00 43.03 C ATOM 380 CG1 ILE A 24 -7.135 4.185 -3.597 1.00 35.24 C ATOM 381 CG2 ILE A 24 -7.633 4.400 -6.063 1.00 55.21 C ATOM 382 CD1 ILE A 24 -7.749 5.526 -3.245 1.00 41.24 C ATOM 0 H ILE A 24 -4.640 3.259 -3.657 1.00 21.14 H new ATOM 0 HA ILE A 24 -6.637 1.958 -5.136 1.00 54.15 H new ATOM 0 HB ILE A 24 -5.783 4.888 -5.117 1.00 43.03 H new ATOM 0 HG12 ILE A 24 -7.894 3.410 -3.491 1.00 35.24 H new ATOM 0 HG13 ILE A 24 -6.346 3.958 -2.879 1.00 35.24 H new ATOM 0 HG21 ILE A 24 -8.082 5.374 -5.868 1.00 55.21 H new ATOM 0 HG22 ILE A 24 -7.189 4.397 -7.059 1.00 55.21 H new ATOM 0 HG23 ILE A 24 -8.401 3.629 -6.006 1.00 55.21 H new ATOM 0 HD11 ILE A 24 -8.139 5.492 -2.228 1.00 41.24 H new ATOM 0 HD12 ILE A 24 -6.989 6.304 -3.316 1.00 41.24 H new ATOM 0 HD13 ILE A 24 -8.561 5.747 -3.938 1.00 41.24 H new ATOM 394 N ASN A 25 -4.117 3.157 -6.909 1.00 74.35 N ATOM 395 CA ASN A 25 -3.466 3.117 -8.228 1.00 12.12 C ATOM 396 C ASN A 25 -3.393 1.682 -8.776 1.00 32.31 C ATOM 397 O ASN A 25 -3.651 1.439 -9.955 1.00 14.41 O ATOM 398 CB ASN A 25 -2.049 3.705 -8.140 1.00 25.11 C ATOM 399 CG ASN A 25 -1.361 3.799 -9.494 1.00 11.50 C ATOM 400 OD1 ASN A 25 -1.996 4.062 -10.511 1.00 12.20 O ATOM 401 ND2 ASN A 25 -0.064 3.571 -9.522 1.00 5.01 N ATOM 0 H ASN A 25 -3.550 3.583 -6.176 1.00 74.35 H new ATOM 0 HA ASN A 25 -4.069 3.715 -8.911 1.00 12.12 H new ATOM 0 HB2 ASN A 25 -2.101 4.699 -7.695 1.00 25.11 H new ATOM 0 HB3 ASN A 25 -1.446 3.088 -7.474 1.00 25.11 H new ATOM 0 HD21 ASN A 25 0.442 3.610 -10.407 1.00 5.01 H new ATOM 0 HD22 ASN A 25 0.435 3.355 -8.659 1.00 5.01 H new ATOM 408 N ASN A 26 -3.057 0.736 -7.903 1.00 13.02 N ATOM 409 CA ASN A 26 -2.891 -0.670 -8.298 1.00 54.13 C ATOM 410 C ASN A 26 -4.220 -1.454 -8.293 1.00 10.11 C ATOM 411 O ASN A 26 -4.245 -2.640 -8.623 1.00 1.32 O ATOM 412 CB ASN A 26 -1.861 -1.343 -7.386 1.00 63.20 C ATOM 413 CG ASN A 26 -0.457 -0.831 -7.652 1.00 24.32 C ATOM 414 OD1 ASN A 26 0.284 -1.409 -8.437 1.00 12.55 O ATOM 415 ND2 ASN A 26 -0.084 0.261 -7.015 1.00 30.34 N ATOM 0 H ASN A 26 -2.893 0.913 -6.912 1.00 13.02 H new ATOM 0 HA ASN A 26 -2.533 -0.681 -9.327 1.00 54.13 H new ATOM 0 HB2 ASN A 26 -2.124 -1.161 -6.344 1.00 63.20 H new ATOM 0 HB3 ASN A 26 -1.890 -2.422 -7.538 1.00 63.20 H new ATOM 0 HD21 ASN A 26 0.847 0.649 -7.170 1.00 30.34 H new ATOM 0 HD22 ASN A 26 -0.726 0.718 -6.367 1.00 30.34 H new ATOM 422 N GLY A 27 -5.317 -0.792 -7.916 1.00 22.01 N ATOM 423 CA GLY A 27 -6.643 -1.413 -8.016 1.00 13.10 C ATOM 424 C GLY A 27 -7.243 -1.887 -6.690 1.00 2.32 C ATOM 425 O GLY A 27 -8.174 -2.698 -6.690 1.00 52.41 O ATOM 0 H GLY A 27 -5.317 0.158 -7.545 1.00 22.01 H new ATOM 0 HA2 GLY A 27 -7.328 -0.698 -8.471 1.00 13.10 H new ATOM 0 HA3 GLY A 27 -6.577 -2.266 -8.692 1.00 13.10 H new ATOM 429 N MET A 28 -6.728 -1.404 -5.560 1.00 3.02 N ATOM 430 CA MET A 28 -7.304 -1.747 -4.249 1.00 45.43 C ATOM 431 C MET A 28 -8.656 -1.055 -4.021 1.00 74.40 C ATOM 432 O MET A 28 -8.885 0.065 -4.481 1.00 23.31 O ATOM 433 CB MET A 28 -6.338 -1.369 -3.123 1.00 44.10 C ATOM 434 CG MET A 28 -5.104 -2.250 -3.062 1.00 0.31 C ATOM 435 SD MET A 28 -5.501 -3.944 -2.595 1.00 72.43 S ATOM 436 CE MET A 28 -3.865 -4.669 -2.537 1.00 35.32 C ATOM 0 H MET A 28 -5.922 -0.780 -5.519 1.00 3.02 H new ATOM 0 HA MET A 28 -7.468 -2.825 -4.242 1.00 45.43 H new ATOM 0 HB2 MET A 28 -6.028 -0.332 -3.254 1.00 44.10 H new ATOM 0 HB3 MET A 28 -6.863 -1.427 -2.170 1.00 44.10 H new ATOM 0 HG2 MET A 28 -4.610 -2.249 -4.034 1.00 0.31 H new ATOM 0 HG3 MET A 28 -4.397 -1.833 -2.345 1.00 0.31 H new ATOM 0 HE1 MET A 28 -3.948 -5.742 -2.366 1.00 35.32 H new ATOM 0 HE2 MET A 28 -3.354 -4.491 -3.484 1.00 35.32 H new ATOM 0 HE3 MET A 28 -3.295 -4.215 -1.726 1.00 35.32 H new ATOM 446 N HIS A 29 -9.548 -1.727 -3.297 1.00 61.44 N ATOM 447 CA HIS A 29 -10.873 -1.181 -2.990 1.00 32.13 C ATOM 448 C HIS A 29 -10.983 -0.826 -1.496 1.00 15.12 C ATOM 449 O HIS A 29 -11.233 -1.693 -0.657 1.00 35.55 O ATOM 450 CB HIS A 29 -11.954 -2.197 -3.386 1.00 51.51 C ATOM 451 CG HIS A 29 -13.356 -1.681 -3.261 1.00 71.02 C ATOM 452 ND1 HIS A 29 -14.219 -2.080 -2.263 1.00 72.54 N ATOM 453 CD2 HIS A 29 -14.055 -0.807 -4.026 1.00 5.30 C ATOM 454 CE1 HIS A 29 -15.381 -1.479 -2.418 1.00 74.44 C ATOM 455 NE2 HIS A 29 -15.309 -0.700 -3.477 1.00 60.51 N ATOM 0 H HIS A 29 -9.378 -2.655 -2.909 1.00 61.44 H new ATOM 0 HA HIS A 29 -11.019 -0.265 -3.563 1.00 32.13 H new ATOM 0 HB2 HIS A 29 -11.784 -2.509 -4.416 1.00 51.51 H new ATOM 0 HB3 HIS A 29 -11.848 -3.085 -2.763 1.00 51.51 H new ATOM 0 HD2 HIS A 29 -13.693 -0.291 -4.903 1.00 5.30 H new ATOM 0 HE1 HIS A 29 -16.246 -1.604 -1.784 1.00 74.44 H new ATOM 0 HE2 HIS A 29 -16.063 -0.112 -3.832 1.00 60.51 H new ATOM 464 N CYS A 30 -10.778 0.452 -1.171 1.00 52.40 N ATOM 465 CA CYS A 30 -10.811 0.917 0.224 1.00 74.53 C ATOM 466 C CYS A 30 -12.207 0.747 0.843 1.00 23.35 C ATOM 467 O CYS A 30 -13.126 1.525 0.573 1.00 21.24 O ATOM 468 CB CYS A 30 -10.360 2.383 0.317 1.00 73.11 C ATOM 469 SG CYS A 30 -11.318 3.526 -0.705 1.00 72.15 S ATOM 0 H CYS A 30 -10.587 1.186 -1.853 1.00 52.40 H new ATOM 0 HA CYS A 30 -10.116 0.299 0.793 1.00 74.53 H new ATOM 0 HB2 CYS A 30 -10.423 2.704 1.357 1.00 73.11 H new ATOM 0 HB3 CYS A 30 -9.311 2.447 0.027 1.00 73.11 H new ATOM 0 HG CYS A 30 -12.577 3.208 -0.648 1.00 72.15 H new ATOM 475 N LEU A 31 -12.358 -0.279 1.674 1.00 50.01 N ATOM 476 CA LEU A 31 -13.647 -0.606 2.293 1.00 1.50 C ATOM 477 C LEU A 31 -13.410 -1.229 3.680 1.00 10.13 C ATOM 478 O LEU A 31 -12.353 -1.808 3.924 1.00 43.10 O ATOM 479 CB LEU A 31 -14.420 -1.575 1.366 1.00 42.34 C ATOM 480 CG LEU A 31 -15.959 -1.611 1.506 1.00 54.32 C ATOM 481 CD1 LEU A 31 -16.402 -2.366 2.756 1.00 63.13 C ATOM 482 CD2 LEU A 31 -16.530 -0.197 1.500 1.00 25.35 C ATOM 0 H LEU A 31 -11.599 -0.906 1.939 1.00 50.01 H new ATOM 0 HA LEU A 31 -14.243 0.297 2.427 1.00 1.50 H new ATOM 0 HB2 LEU A 31 -14.181 -1.318 0.334 1.00 42.34 H new ATOM 0 HB3 LEU A 31 -14.042 -2.582 1.540 1.00 42.34 H new ATOM 0 HG LEU A 31 -16.352 -2.152 0.645 1.00 54.32 H new ATOM 0 HD11 LEU A 31 -17.490 -2.366 2.814 1.00 63.13 H new ATOM 0 HD12 LEU A 31 -16.041 -3.393 2.708 1.00 63.13 H new ATOM 0 HD13 LEU A 31 -15.992 -1.878 3.640 1.00 63.13 H new ATOM 0 HD21 LEU A 31 -17.615 -0.242 1.599 1.00 25.35 H new ATOM 0 HD22 LEU A 31 -16.112 0.368 2.334 1.00 25.35 H new ATOM 0 HD23 LEU A 31 -16.272 0.296 0.563 1.00 25.35 H new ATOM 494 N GLY A 32 -14.379 -1.086 4.583 1.00 14.32 N ATOM 495 CA GLY A 32 -14.275 -1.662 5.924 1.00 11.44 C ATOM 496 C GLY A 32 -14.279 -3.188 5.922 1.00 13.43 C ATOM 497 O GLY A 32 -15.252 -3.825 6.339 1.00 41.54 O ATOM 0 H GLY A 32 -15.245 -0.576 4.411 1.00 14.32 H new ATOM 0 HA2 GLY A 32 -13.358 -1.308 6.395 1.00 11.44 H new ATOM 0 HA3 GLY A 32 -15.105 -1.303 6.532 1.00 11.44 H new ATOM 501 N CYS A 33 -13.189 -3.767 5.436 1.00 62.13 N ATOM 502 CA CYS A 33 -13.027 -5.225 5.375 1.00 1.44 C ATOM 503 C CYS A 33 -11.565 -5.635 5.617 1.00 21.13 C ATOM 504 O CYS A 33 -10.639 -4.868 5.337 1.00 40.31 O ATOM 505 CB CYS A 33 -13.471 -5.754 4.003 1.00 31.54 C ATOM 506 SG CYS A 33 -15.172 -5.343 3.541 1.00 74.31 S ATOM 0 H CYS A 33 -12.391 -3.246 5.072 1.00 62.13 H new ATOM 0 HA CYS A 33 -13.650 -5.656 6.159 1.00 1.44 H new ATOM 0 HB2 CYS A 33 -12.798 -5.359 3.242 1.00 31.54 H new ATOM 0 HB3 CYS A 33 -13.360 -6.838 3.995 1.00 31.54 H new ATOM 0 HG CYS A 33 -15.778 -4.802 4.555 1.00 74.31 H new ATOM 512 N PRO A 34 -11.330 -6.851 6.148 1.00 4.30 N ATOM 513 CA PRO A 34 -9.970 -7.397 6.290 1.00 41.10 C ATOM 514 C PRO A 34 -9.230 -7.480 4.943 1.00 72.23 C ATOM 515 O PRO A 34 -8.097 -7.020 4.822 1.00 61.33 O ATOM 516 CB PRO A 34 -10.205 -8.801 6.872 1.00 45.22 C ATOM 517 CG PRO A 34 -11.544 -8.722 7.526 1.00 21.13 C ATOM 518 CD PRO A 34 -12.352 -7.773 6.683 1.00 24.24 C ATOM 0 HA PRO A 34 -9.340 -6.767 6.917 1.00 41.10 H new ATOM 0 HB2 PRO A 34 -10.190 -9.561 6.091 1.00 45.22 H new ATOM 0 HB3 PRO A 34 -9.429 -9.067 7.590 1.00 45.22 H new ATOM 0 HG2 PRO A 34 -12.016 -9.704 7.573 1.00 21.13 H new ATOM 0 HG3 PRO A 34 -11.459 -8.360 8.551 1.00 21.13 H new ATOM 0 HD2 PRO A 34 -12.883 -8.293 5.886 1.00 24.24 H new ATOM 0 HD3 PRO A 34 -13.101 -7.246 7.274 1.00 24.24 H new ATOM 526 N SER A 35 -9.908 -8.012 3.921 1.00 64.04 N ATOM 527 CA SER A 35 -9.307 -8.235 2.585 1.00 60.21 C ATOM 528 C SER A 35 -9.017 -6.929 1.814 1.00 33.14 C ATOM 529 O SER A 35 -8.871 -6.940 0.589 1.00 31.52 O ATOM 530 CB SER A 35 -10.243 -9.114 1.743 1.00 74.34 C ATOM 531 OG SER A 35 -10.575 -10.317 2.423 1.00 55.53 O ATOM 0 H SER A 35 -10.884 -8.302 3.987 1.00 64.04 H new ATOM 0 HA SER A 35 -8.349 -8.726 2.754 1.00 60.21 H new ATOM 0 HB2 SER A 35 -11.154 -8.561 1.512 1.00 74.34 H new ATOM 0 HB3 SER A 35 -9.765 -9.351 0.793 1.00 74.34 H new ATOM 0 HG SER A 35 -11.173 -10.855 1.863 1.00 55.53 H new ATOM 537 N SER A 36 -8.922 -5.814 2.526 1.00 33.25 N ATOM 538 CA SER A 36 -8.652 -4.511 1.905 1.00 3.43 C ATOM 539 C SER A 36 -7.816 -3.616 2.827 1.00 11.22 C ATOM 540 O SER A 36 -6.859 -2.976 2.394 1.00 53.34 O ATOM 541 CB SER A 36 -9.967 -3.800 1.570 1.00 74.42 C ATOM 542 OG SER A 36 -10.741 -3.578 2.739 1.00 65.50 O ATOM 0 H SER A 36 -9.028 -5.780 3.540 1.00 33.25 H new ATOM 0 HA SER A 36 -8.088 -4.693 0.990 1.00 3.43 H new ATOM 0 HB2 SER A 36 -9.755 -2.848 1.084 1.00 74.42 H new ATOM 0 HB3 SER A 36 -10.538 -4.400 0.861 1.00 74.42 H new ATOM 0 HG SER A 36 -11.176 -2.702 2.682 1.00 65.50 H new ATOM 548 N MET A 37 -8.205 -3.550 4.099 1.00 42.44 N ATOM 549 CA MET A 37 -7.501 -2.717 5.086 1.00 44.24 C ATOM 550 C MET A 37 -6.713 -3.553 6.114 1.00 41.42 C ATOM 551 O MET A 37 -5.540 -3.279 6.383 1.00 33.35 O ATOM 552 CB MET A 37 -8.512 -1.828 5.822 1.00 65.31 C ATOM 553 CG MET A 37 -9.320 -0.897 4.916 1.00 72.10 C ATOM 554 SD MET A 37 -8.505 0.686 4.580 1.00 61.42 S ATOM 555 CE MET A 37 -7.107 0.207 3.563 1.00 22.40 C ATOM 0 H MET A 37 -9.003 -4.061 4.475 1.00 42.44 H new ATOM 0 HA MET A 37 -6.781 -2.108 4.539 1.00 44.24 H new ATOM 0 HB2 MET A 37 -9.203 -2.466 6.374 1.00 65.31 H new ATOM 0 HB3 MET A 37 -7.978 -1.225 6.557 1.00 65.31 H new ATOM 0 HG2 MET A 37 -9.513 -1.403 3.970 1.00 72.10 H new ATOM 0 HG3 MET A 37 -10.288 -0.705 5.379 1.00 72.10 H new ATOM 0 HE1 MET A 37 -6.858 1.020 2.881 1.00 22.40 H new ATOM 0 HE2 MET A 37 -6.249 -0.007 4.201 1.00 22.40 H new ATOM 0 HE3 MET A 37 -7.363 -0.683 2.989 1.00 22.40 H new ATOM 565 N GLY A 38 -7.368 -4.568 6.680 1.00 71.12 N ATOM 566 CA GLY A 38 -6.796 -5.314 7.803 1.00 73.54 C ATOM 567 C GLY A 38 -5.639 -6.249 7.441 1.00 24.45 C ATOM 568 O GLY A 38 -4.670 -6.363 8.194 1.00 1.11 O ATOM 0 H GLY A 38 -8.289 -4.891 6.382 1.00 71.12 H new ATOM 0 HA2 GLY A 38 -6.447 -4.602 8.551 1.00 73.54 H new ATOM 0 HA3 GLY A 38 -7.587 -5.903 8.268 1.00 73.54 H new ATOM 572 N GLU A 39 -5.743 -6.940 6.309 1.00 14.15 N ATOM 573 CA GLU A 39 -4.735 -7.924 5.907 1.00 23.44 C ATOM 574 C GLU A 39 -3.470 -7.288 5.306 1.00 44.13 C ATOM 575 O GLU A 39 -3.388 -6.074 5.094 1.00 13.24 O ATOM 576 CB GLU A 39 -5.355 -8.898 4.903 1.00 54.40 C ATOM 577 CG GLU A 39 -6.538 -9.676 5.468 1.00 74.31 C ATOM 578 CD GLU A 39 -6.135 -10.674 6.544 1.00 40.10 C ATOM 579 OE1 GLU A 39 -5.789 -11.824 6.200 1.00 41.11 O ATOM 580 OE2 GLU A 39 -6.156 -10.313 7.740 1.00 72.05 O ATOM 0 H GLU A 39 -6.516 -6.838 5.651 1.00 14.15 H new ATOM 0 HA GLU A 39 -4.419 -8.448 6.809 1.00 23.44 H new ATOM 0 HB2 GLU A 39 -5.681 -8.343 4.023 1.00 54.40 H new ATOM 0 HB3 GLU A 39 -4.592 -9.602 4.571 1.00 54.40 H new ATOM 0 HG2 GLU A 39 -7.262 -8.975 5.884 1.00 74.31 H new ATOM 0 HG3 GLU A 39 -7.037 -10.206 4.657 1.00 74.31 H new ATOM 587 N SER A 40 -2.480 -8.138 5.044 1.00 33.12 N ATOM 588 CA SER A 40 -1.216 -7.713 4.435 1.00 3.03 C ATOM 589 C SER A 40 -1.396 -7.363 2.952 1.00 20.33 C ATOM 590 O SER A 40 -2.357 -7.799 2.313 1.00 21.14 O ATOM 591 CB SER A 40 -0.165 -8.826 4.575 1.00 45.42 C ATOM 592 OG SER A 40 0.000 -9.211 5.934 1.00 2.42 O ATOM 0 H SER A 40 -2.528 -9.137 5.246 1.00 33.12 H new ATOM 0 HA SER A 40 -0.879 -6.818 4.959 1.00 3.03 H new ATOM 0 HB2 SER A 40 -0.466 -9.691 3.984 1.00 45.42 H new ATOM 0 HB3 SER A 40 0.788 -8.482 4.174 1.00 45.42 H new ATOM 0 HG SER A 40 0.893 -8.949 6.242 1.00 2.42 H new ATOM 598 N ILE A 41 -0.462 -6.588 2.403 1.00 42.14 N ATOM 599 CA ILE A 41 -0.510 -6.184 0.993 1.00 45.44 C ATOM 600 C ILE A 41 -0.659 -7.394 0.052 1.00 43.02 C ATOM 601 O ILE A 41 -1.561 -7.430 -0.783 1.00 3.20 O ATOM 602 CB ILE A 41 0.766 -5.392 0.630 1.00 73.23 C ATOM 603 CG1 ILE A 41 0.863 -4.125 1.502 1.00 32.14 C ATOM 604 CG2 ILE A 41 0.795 -5.038 -0.858 1.00 61.32 C ATOM 605 CD1 ILE A 41 2.280 -3.663 1.739 1.00 24.14 C ATOM 0 H ILE A 41 0.342 -6.224 2.914 1.00 42.14 H new ATOM 0 HA ILE A 41 -1.388 -5.552 0.861 1.00 45.44 H new ATOM 0 HB ILE A 41 1.633 -6.022 0.830 1.00 73.23 H new ATOM 0 HG12 ILE A 41 0.303 -3.321 1.024 1.00 32.14 H new ATOM 0 HG13 ILE A 41 0.387 -4.318 2.463 1.00 32.14 H new ATOM 0 HG21 ILE A 41 1.705 -4.481 -1.082 1.00 61.32 H new ATOM 0 HG22 ILE A 41 0.775 -5.953 -1.450 1.00 61.32 H new ATOM 0 HG23 ILE A 41 -0.074 -4.427 -1.104 1.00 61.32 H new ATOM 0 HD11 ILE A 41 2.272 -2.767 2.360 1.00 24.14 H new ATOM 0 HD12 ILE A 41 2.839 -4.450 2.245 1.00 24.14 H new ATOM 0 HD13 ILE A 41 2.754 -3.438 0.784 1.00 24.14 H new ATOM 617 N GLU A 42 0.221 -8.385 0.203 1.00 42.22 N ATOM 618 CA GLU A 42 0.173 -9.599 -0.626 1.00 12.25 C ATOM 619 C GLU A 42 -1.170 -10.335 -0.481 1.00 12.21 C ATOM 620 O GLU A 42 -1.734 -10.820 -1.464 1.00 3.34 O ATOM 621 CB GLU A 42 1.326 -10.550 -0.257 1.00 20.42 C ATOM 622 CG GLU A 42 1.357 -10.949 1.216 1.00 64.15 C ATOM 623 CD GLU A 42 2.408 -12.006 1.517 1.00 43.13 C ATOM 624 OE1 GLU A 42 3.592 -11.651 1.684 1.00 32.34 O ATOM 625 OE2 GLU A 42 2.055 -13.202 1.581 1.00 14.32 O ATOM 0 H GLU A 42 0.976 -8.375 0.889 1.00 42.22 H new ATOM 0 HA GLU A 42 0.279 -9.286 -1.665 1.00 12.25 H new ATOM 0 HB2 GLU A 42 1.248 -11.451 -0.865 1.00 20.42 H new ATOM 0 HB3 GLU A 42 2.272 -10.073 -0.513 1.00 20.42 H new ATOM 0 HG2 GLU A 42 1.552 -10.065 1.823 1.00 64.15 H new ATOM 0 HG3 GLU A 42 0.376 -11.325 1.507 1.00 64.15 H new ATOM 632 N ASP A 43 -1.680 -10.394 0.749 1.00 24.41 N ATOM 633 CA ASP A 43 -2.925 -11.106 1.047 1.00 0.43 C ATOM 634 C ASP A 43 -4.114 -10.461 0.310 1.00 2.14 C ATOM 635 O ASP A 43 -4.872 -11.140 -0.387 1.00 40.33 O ATOM 636 CB ASP A 43 -3.163 -11.108 2.564 1.00 14.03 C ATOM 637 CG ASP A 43 -3.998 -12.292 3.025 1.00 63.43 C ATOM 638 OD1 ASP A 43 -5.219 -12.288 2.796 1.00 50.33 O ATOM 639 OD2 ASP A 43 -3.425 -13.238 3.612 1.00 54.13 O ATOM 0 H ASP A 43 -1.247 -9.954 1.561 1.00 24.41 H new ATOM 0 HA ASP A 43 -2.837 -12.135 0.698 1.00 0.43 H new ATOM 0 HB2 ASP A 43 -2.202 -11.124 3.078 1.00 14.03 H new ATOM 0 HB3 ASP A 43 -3.663 -10.183 2.851 1.00 14.03 H new ATOM 644 N ALA A 44 -4.250 -9.143 0.459 1.00 61.23 N ATOM 645 CA ALA A 44 -5.312 -8.384 -0.212 1.00 42.42 C ATOM 646 C ALA A 44 -5.140 -8.396 -1.743 1.00 45.43 C ATOM 647 O ALA A 44 -6.122 -8.452 -2.493 1.00 14.12 O ATOM 648 CB ALA A 44 -5.334 -6.952 0.309 1.00 52.13 C ATOM 0 H ALA A 44 -3.635 -8.574 1.041 1.00 61.23 H new ATOM 0 HA ALA A 44 -6.264 -8.865 0.014 1.00 42.42 H new ATOM 0 HB1 ALA A 44 -6.124 -6.394 -0.193 1.00 52.13 H new ATOM 0 HB2 ALA A 44 -5.520 -6.958 1.383 1.00 52.13 H new ATOM 0 HB3 ALA A 44 -4.373 -6.478 0.110 1.00 52.13 H new ATOM 654 N CYS A 45 -3.889 -8.341 -2.203 1.00 41.35 N ATOM 655 CA CYS A 45 -3.591 -8.393 -3.641 1.00 32.22 C ATOM 656 C CYS A 45 -4.050 -9.719 -4.261 1.00 72.35 C ATOM 657 O CYS A 45 -4.726 -9.729 -5.289 1.00 13.34 O ATOM 658 CB CYS A 45 -2.092 -8.190 -3.905 1.00 62.12 C ATOM 659 SG CYS A 45 -1.489 -6.525 -3.529 1.00 4.53 S ATOM 0 H CYS A 45 -3.066 -8.261 -1.605 1.00 41.35 H new ATOM 0 HA CYS A 45 -4.144 -7.580 -4.111 1.00 32.22 H new ATOM 0 HB2 CYS A 45 -1.529 -8.910 -3.311 1.00 62.12 H new ATOM 0 HB3 CYS A 45 -1.886 -8.411 -4.952 1.00 62.12 H new ATOM 0 HG CYS A 45 -1.337 -6.398 -2.244 1.00 4.53 H new ATOM 665 N ALA A 46 -3.696 -10.833 -3.620 1.00 12.32 N ATOM 666 CA ALA A 46 -4.063 -12.166 -4.114 1.00 5.43 C ATOM 667 C ALA A 46 -5.580 -12.301 -4.333 1.00 11.05 C ATOM 668 O ALA A 46 -6.023 -12.934 -5.292 1.00 21.42 O ATOM 669 CB ALA A 46 -3.569 -13.236 -3.149 1.00 25.44 C ATOM 0 H ALA A 46 -3.154 -10.842 -2.756 1.00 12.32 H new ATOM 0 HA ALA A 46 -3.581 -12.304 -5.082 1.00 5.43 H new ATOM 0 HB1 ALA A 46 -3.846 -14.221 -3.525 1.00 25.44 H new ATOM 0 HB2 ALA A 46 -2.484 -13.174 -3.061 1.00 25.44 H new ATOM 0 HB3 ALA A 46 -4.022 -13.080 -2.170 1.00 25.44 H new ATOM 675 N VAL A 47 -6.366 -11.690 -3.444 1.00 65.15 N ATOM 676 CA VAL A 47 -7.832 -11.704 -3.559 1.00 64.22 C ATOM 677 C VAL A 47 -8.302 -11.113 -4.900 1.00 33.40 C ATOM 678 O VAL A 47 -9.043 -11.752 -5.648 1.00 25.12 O ATOM 679 CB VAL A 47 -8.501 -10.914 -2.402 1.00 31.41 C ATOM 680 CG1 VAL A 47 -10.024 -10.975 -2.503 1.00 62.03 C ATOM 681 CG2 VAL A 47 -8.023 -11.429 -1.048 1.00 42.12 C ATOM 0 H VAL A 47 -6.015 -11.178 -2.635 1.00 65.15 H new ATOM 0 HA VAL A 47 -8.134 -12.750 -3.503 1.00 64.22 H new ATOM 0 HB VAL A 47 -8.203 -9.869 -2.492 1.00 31.41 H new ATOM 0 HG11 VAL A 47 -10.466 -10.413 -1.680 1.00 62.03 H new ATOM 0 HG12 VAL A 47 -10.343 -10.542 -3.451 1.00 62.03 H new ATOM 0 HG13 VAL A 47 -10.351 -12.014 -2.450 1.00 62.03 H new ATOM 0 HG21 VAL A 47 -8.505 -10.861 -0.252 1.00 42.12 H new ATOM 0 HG22 VAL A 47 -8.280 -12.483 -0.948 1.00 42.12 H new ATOM 0 HG23 VAL A 47 -6.942 -11.311 -0.975 1.00 42.12 H new ATOM 691 N HIS A 48 -7.856 -9.893 -5.202 1.00 12.53 N ATOM 692 CA HIS A 48 -8.267 -9.193 -6.431 1.00 55.42 C ATOM 693 C HIS A 48 -7.289 -9.440 -7.598 1.00 24.03 C ATOM 694 O HIS A 48 -7.418 -8.831 -8.662 1.00 41.44 O ATOM 695 CB HIS A 48 -8.384 -7.684 -6.164 1.00 33.23 C ATOM 696 CG HIS A 48 -9.544 -7.300 -5.295 1.00 32.34 C ATOM 697 ND1 HIS A 48 -10.520 -6.415 -5.699 1.00 65.35 N ATOM 698 CD2 HIS A 48 -9.877 -7.668 -4.034 1.00 72.43 C ATOM 699 CE1 HIS A 48 -11.399 -6.257 -4.732 1.00 30.33 C ATOM 700 NE2 HIS A 48 -11.034 -7.003 -3.712 1.00 21.12 N ATOM 0 H HIS A 48 -7.210 -9.365 -4.616 1.00 12.53 H new ATOM 0 HA HIS A 48 -9.237 -9.595 -6.723 1.00 55.42 H new ATOM 0 HB2 HIS A 48 -7.463 -7.337 -5.695 1.00 33.23 H new ATOM 0 HB3 HIS A 48 -8.471 -7.164 -7.118 1.00 33.23 H new ATOM 0 HD2 HIS A 48 -9.334 -8.355 -3.402 1.00 72.43 H new ATOM 0 HE1 HIS A 48 -12.272 -5.622 -4.770 1.00 30.33 H new ATOM 0 HE2 HIS A 48 -11.531 -7.076 -2.824 1.00 21.12 H new ATOM 709 N GLY A 49 -6.317 -10.329 -7.397 1.00 2.41 N ATOM 710 CA GLY A 49 -5.318 -10.610 -8.430 1.00 61.15 C ATOM 711 C GLY A 49 -4.460 -9.393 -8.777 1.00 32.04 C ATOM 712 O GLY A 49 -4.030 -9.225 -9.920 1.00 43.21 O ATOM 0 H GLY A 49 -6.199 -10.864 -6.536 1.00 2.41 H new ATOM 0 HA2 GLY A 49 -4.671 -11.419 -8.092 1.00 61.15 H new ATOM 0 HA3 GLY A 49 -5.823 -10.961 -9.330 1.00 61.15 H new ATOM 716 N ILE A 50 -4.221 -8.546 -7.782 1.00 70.30 N ATOM 717 CA ILE A 50 -3.428 -7.324 -7.958 1.00 53.34 C ATOM 718 C ILE A 50 -1.920 -7.627 -7.979 1.00 22.13 C ATOM 719 O ILE A 50 -1.450 -8.579 -7.349 1.00 11.20 O ATOM 720 CB ILE A 50 -3.735 -6.307 -6.828 1.00 53.31 C ATOM 721 CG1 ILE A 50 -5.233 -5.951 -6.829 1.00 54.03 C ATOM 722 CG2 ILE A 50 -2.878 -5.048 -6.954 1.00 40.25 C ATOM 723 CD1 ILE A 50 -5.633 -4.950 -5.767 1.00 71.45 C ATOM 0 H ILE A 50 -4.568 -8.682 -6.832 1.00 70.30 H new ATOM 0 HA ILE A 50 -3.707 -6.893 -8.920 1.00 53.34 H new ATOM 0 HB ILE A 50 -3.484 -6.775 -5.876 1.00 53.31 H new ATOM 0 HG12 ILE A 50 -5.499 -5.552 -7.808 1.00 54.03 H new ATOM 0 HG13 ILE A 50 -5.812 -6.864 -6.689 1.00 54.03 H new ATOM 0 HG21 ILE A 50 -3.122 -4.360 -6.145 1.00 40.25 H new ATOM 0 HG22 ILE A 50 -1.824 -5.318 -6.895 1.00 40.25 H new ATOM 0 HG23 ILE A 50 -3.077 -4.567 -7.912 1.00 40.25 H new ATOM 0 HD11 ILE A 50 -6.703 -4.754 -5.836 1.00 71.45 H new ATOM 0 HD12 ILE A 50 -5.401 -5.353 -4.781 1.00 71.45 H new ATOM 0 HD13 ILE A 50 -5.084 -4.021 -5.918 1.00 71.45 H new ATOM 735 N ASP A 51 -1.171 -6.809 -8.704 1.00 63.15 N ATOM 736 CA ASP A 51 0.275 -6.979 -8.826 1.00 31.11 C ATOM 737 C ASP A 51 0.992 -6.391 -7.594 1.00 64.10 C ATOM 738 O ASP A 51 1.426 -5.235 -7.603 1.00 72.15 O ATOM 739 CB ASP A 51 0.773 -6.310 -10.119 1.00 34.44 C ATOM 740 CG ASP A 51 2.122 -6.839 -10.583 1.00 30.44 C ATOM 741 OD1 ASP A 51 3.086 -6.833 -9.786 1.00 3.13 O ATOM 742 OD2 ASP A 51 2.230 -7.257 -11.756 1.00 41.01 O ATOM 0 H ASP A 51 -1.542 -6.013 -9.222 1.00 63.15 H new ATOM 0 HA ASP A 51 0.504 -8.043 -8.874 1.00 31.11 H new ATOM 0 HB2 ASP A 51 0.037 -6.466 -10.908 1.00 34.44 H new ATOM 0 HB3 ASP A 51 0.847 -5.234 -9.959 1.00 34.44 H new ATOM 747 N ALA A 52 1.086 -7.184 -6.523 1.00 72.11 N ATOM 748 CA ALA A 52 1.720 -6.734 -5.277 1.00 61.45 C ATOM 749 C ALA A 52 3.191 -6.362 -5.490 1.00 54.52 C ATOM 750 O ALA A 52 3.725 -5.494 -4.800 1.00 62.31 O ATOM 751 CB ALA A 52 1.592 -7.803 -4.197 1.00 31.20 C ATOM 0 H ALA A 52 0.732 -8.140 -6.492 1.00 72.11 H new ATOM 0 HA ALA A 52 1.198 -5.835 -4.949 1.00 61.45 H new ATOM 0 HB1 ALA A 52 2.067 -7.453 -3.281 1.00 31.20 H new ATOM 0 HB2 ALA A 52 0.538 -8.003 -4.006 1.00 31.20 H new ATOM 0 HB3 ALA A 52 2.080 -8.719 -4.532 1.00 31.20 H new ATOM 757 N ASP A 53 3.840 -7.021 -6.445 1.00 61.20 N ATOM 758 CA ASP A 53 5.234 -6.722 -6.777 1.00 34.15 C ATOM 759 C ASP A 53 5.393 -5.250 -7.203 1.00 42.12 C ATOM 760 O ASP A 53 6.280 -4.548 -6.719 1.00 33.23 O ATOM 761 CB ASP A 53 5.717 -7.669 -7.881 1.00 53.02 C ATOM 762 CG ASP A 53 7.175 -7.453 -8.240 1.00 5.43 C ATOM 763 OD1 ASP A 53 8.051 -7.860 -7.448 1.00 31.11 O ATOM 764 OD2 ASP A 53 7.451 -6.891 -9.320 1.00 32.43 O ATOM 0 H ASP A 53 3.425 -7.766 -7.004 1.00 61.20 H new ATOM 0 HA ASP A 53 5.849 -6.876 -5.890 1.00 34.15 H new ATOM 0 HB2 ASP A 53 5.576 -8.700 -7.557 1.00 53.02 H new ATOM 0 HB3 ASP A 53 5.103 -7.527 -8.770 1.00 53.02 H new ATOM 769 N LYS A 54 4.512 -4.786 -8.091 1.00 34.12 N ATOM 770 CA LYS A 54 4.531 -3.386 -8.538 1.00 31.33 C ATOM 771 C LYS A 54 4.044 -2.436 -7.431 1.00 21.43 C ATOM 772 O LYS A 54 4.645 -1.387 -7.191 1.00 70.12 O ATOM 773 CB LYS A 54 3.665 -3.209 -9.793 1.00 35.40 C ATOM 774 CG LYS A 54 4.221 -3.905 -11.031 1.00 43.11 C ATOM 775 CD LYS A 54 3.309 -3.720 -12.243 1.00 53.11 C ATOM 776 CE LYS A 54 3.862 -4.418 -13.480 1.00 62.33 C ATOM 777 NZ LYS A 54 4.058 -5.874 -13.259 1.00 40.22 N ATOM 0 H LYS A 54 3.778 -5.354 -8.515 1.00 34.12 H new ATOM 0 HA LYS A 54 5.564 -3.132 -8.777 1.00 31.33 H new ATOM 0 HB2 LYS A 54 2.666 -3.594 -9.590 1.00 35.40 H new ATOM 0 HB3 LYS A 54 3.560 -2.145 -10.003 1.00 35.40 H new ATOM 0 HG2 LYS A 54 5.211 -3.509 -11.257 1.00 43.11 H new ATOM 0 HG3 LYS A 54 4.342 -4.969 -10.826 1.00 43.11 H new ATOM 0 HD2 LYS A 54 2.318 -4.114 -12.016 1.00 53.11 H new ATOM 0 HD3 LYS A 54 3.190 -2.656 -12.449 1.00 53.11 H new ATOM 0 HE2 LYS A 54 3.179 -4.267 -14.316 1.00 62.33 H new ATOM 0 HE3 LYS A 54 4.812 -3.963 -13.758 1.00 62.33 H new ATOM 0 HZ1 LYS A 54 4.018 -6.372 -14.171 1.00 40.22 H new ATOM 0 HZ2 LYS A 54 4.985 -6.036 -12.816 1.00 40.22 H new ATOM 0 HZ3 LYS A 54 3.308 -6.234 -12.635 1.00 40.22 H new ATOM 791 N LEU A 55 2.957 -2.818 -6.760 1.00 13.10 N ATOM 792 CA LEU A 55 2.387 -2.016 -5.669 1.00 50.41 C ATOM 793 C LEU A 55 3.431 -1.708 -4.585 1.00 21.32 C ATOM 794 O LEU A 55 3.623 -0.551 -4.203 1.00 1.25 O ATOM 795 CB LEU A 55 1.181 -2.749 -5.056 1.00 35.45 C ATOM 796 CG LEU A 55 0.579 -2.114 -3.785 1.00 30.43 C ATOM 797 CD1 LEU A 55 0.238 -0.641 -4.008 1.00 42.14 C ATOM 798 CD2 LEU A 55 -0.659 -2.889 -3.339 1.00 64.42 C ATOM 0 H LEU A 55 2.449 -3.682 -6.952 1.00 13.10 H new ATOM 0 HA LEU A 55 2.058 -1.065 -6.087 1.00 50.41 H new ATOM 0 HB2 LEU A 55 0.398 -2.814 -5.812 1.00 35.45 H new ATOM 0 HB3 LEU A 55 1.483 -3.770 -4.821 1.00 35.45 H new ATOM 0 HG LEU A 55 1.329 -2.166 -2.996 1.00 30.43 H new ATOM 0 HD11 LEU A 55 -0.184 -0.223 -3.094 1.00 42.14 H new ATOM 0 HD12 LEU A 55 1.143 -0.094 -4.273 1.00 42.14 H new ATOM 0 HD13 LEU A 55 -0.488 -0.554 -4.816 1.00 42.14 H new ATOM 0 HD21 LEU A 55 -1.072 -2.429 -2.441 1.00 64.42 H new ATOM 0 HD22 LEU A 55 -1.406 -2.870 -4.133 1.00 64.42 H new ATOM 0 HD23 LEU A 55 -0.384 -3.922 -3.124 1.00 64.42 H new ATOM 810 N VAL A 56 4.106 -2.743 -4.098 1.00 71.51 N ATOM 811 CA VAL A 56 5.130 -2.574 -3.063 1.00 2.13 C ATOM 812 C VAL A 56 6.273 -1.667 -3.541 1.00 53.33 C ATOM 813 O VAL A 56 6.739 -0.806 -2.796 1.00 60.30 O ATOM 814 CB VAL A 56 5.697 -3.939 -2.597 1.00 24.31 C ATOM 815 CG1 VAL A 56 6.843 -3.757 -1.603 1.00 13.34 C ATOM 816 CG2 VAL A 56 4.583 -4.785 -1.984 1.00 2.23 C ATOM 0 H VAL A 56 3.966 -3.707 -4.400 1.00 71.51 H new ATOM 0 HA VAL A 56 4.643 -2.094 -2.214 1.00 2.13 H new ATOM 0 HB VAL A 56 6.098 -4.456 -3.469 1.00 24.31 H new ATOM 0 HG11 VAL A 56 7.217 -4.734 -1.297 1.00 13.34 H new ATOM 0 HG12 VAL A 56 7.647 -3.192 -2.074 1.00 13.34 H new ATOM 0 HG13 VAL A 56 6.483 -3.216 -0.728 1.00 13.34 H new ATOM 0 HG21 VAL A 56 4.990 -5.743 -1.659 1.00 2.23 H new ATOM 0 HG22 VAL A 56 4.158 -4.262 -1.127 1.00 2.23 H new ATOM 0 HG23 VAL A 56 3.804 -4.955 -2.728 1.00 2.23 H new ATOM 826 N LYS A 57 6.714 -1.849 -4.786 1.00 43.24 N ATOM 827 CA LYS A 57 7.759 -0.993 -5.362 1.00 31.43 C ATOM 828 C LYS A 57 7.352 0.488 -5.327 1.00 34.55 C ATOM 829 O LYS A 57 8.127 1.341 -4.892 1.00 41.33 O ATOM 830 CB LYS A 57 8.073 -1.423 -6.799 1.00 22.21 C ATOM 831 CG LYS A 57 8.751 -2.787 -6.894 1.00 42.14 C ATOM 832 CD LYS A 57 8.962 -3.214 -8.344 1.00 2.45 C ATOM 833 CE LYS A 57 9.626 -4.583 -8.436 1.00 73.42 C ATOM 834 NZ LYS A 57 9.787 -5.032 -9.844 1.00 35.35 N ATOM 0 H LYS A 57 6.369 -2.575 -5.414 1.00 43.24 H new ATOM 0 HA LYS A 57 8.656 -1.110 -4.754 1.00 31.43 H new ATOM 0 HB2 LYS A 57 7.147 -1.446 -7.373 1.00 22.21 H new ATOM 0 HB3 LYS A 57 8.716 -0.674 -7.261 1.00 22.21 H new ATOM 0 HG2 LYS A 57 9.712 -2.752 -6.382 1.00 42.14 H new ATOM 0 HG3 LYS A 57 8.143 -3.532 -6.380 1.00 42.14 H new ATOM 0 HD2 LYS A 57 8.002 -3.239 -8.860 1.00 2.45 H new ATOM 0 HD3 LYS A 57 9.579 -2.475 -8.855 1.00 2.45 H new ATOM 0 HE2 LYS A 57 10.603 -4.545 -7.954 1.00 73.42 H new ATOM 0 HE3 LYS A 57 9.029 -5.313 -7.889 1.00 73.42 H new ATOM 0 HZ1 LYS A 57 10.743 -5.420 -9.978 1.00 35.35 H new ATOM 0 HZ2 LYS A 57 9.082 -5.766 -10.057 1.00 35.35 H new ATOM 0 HZ3 LYS A 57 9.649 -4.224 -10.484 1.00 35.35 H new ATOM 848 N GLU A 58 6.129 0.789 -5.769 1.00 31.12 N ATOM 849 CA GLU A 58 5.610 2.161 -5.723 1.00 54.34 C ATOM 850 C GLU A 58 5.551 2.693 -4.278 1.00 54.12 C ATOM 851 O GLU A 58 5.865 3.857 -4.025 1.00 41.53 O ATOM 852 CB GLU A 58 4.222 2.244 -6.380 1.00 21.13 C ATOM 853 CG GLU A 58 4.236 1.988 -7.887 1.00 13.34 C ATOM 854 CD GLU A 58 2.957 2.452 -8.573 1.00 70.42 C ATOM 855 OE1 GLU A 58 1.879 1.905 -8.264 1.00 55.43 O ATOM 856 OE2 GLU A 58 3.027 3.365 -9.429 1.00 45.30 O ATOM 0 H GLU A 58 5.481 0.106 -6.161 1.00 31.12 H new ATOM 0 HA GLU A 58 6.300 2.790 -6.286 1.00 54.34 H new ATOM 0 HB2 GLU A 58 3.561 1.519 -5.904 1.00 21.13 H new ATOM 0 HB3 GLU A 58 3.800 3.231 -6.193 1.00 21.13 H new ATOM 0 HG2 GLU A 58 5.089 2.502 -8.331 1.00 13.34 H new ATOM 0 HG3 GLU A 58 4.376 0.922 -8.069 1.00 13.34 H new ATOM 863 N LEU A 59 5.154 1.835 -3.333 1.00 33.14 N ATOM 864 CA LEU A 59 5.159 2.196 -1.906 1.00 61.00 C ATOM 865 C LEU A 59 6.575 2.577 -1.433 1.00 63.14 C ATOM 866 O LEU A 59 6.765 3.611 -0.791 1.00 13.02 O ATOM 867 CB LEU A 59 4.615 1.034 -1.064 1.00 13.45 C ATOM 868 CG LEU A 59 3.134 0.694 -1.299 1.00 74.21 C ATOM 869 CD1 LEU A 59 2.759 -0.604 -0.591 1.00 12.50 C ATOM 870 CD2 LEU A 59 2.237 1.841 -0.835 1.00 55.54 C ATOM 0 H LEU A 59 4.826 0.889 -3.526 1.00 33.14 H new ATOM 0 HA LEU A 59 4.514 3.065 -1.775 1.00 61.00 H new ATOM 0 HB2 LEU A 59 5.212 0.146 -1.270 1.00 13.45 H new ATOM 0 HB3 LEU A 59 4.754 1.274 -0.010 1.00 13.45 H new ATOM 0 HG LEU A 59 2.982 0.554 -2.369 1.00 74.21 H new ATOM 0 HD11 LEU A 59 1.707 -0.826 -0.771 1.00 12.50 H new ATOM 0 HD12 LEU A 59 3.372 -1.419 -0.976 1.00 12.50 H new ATOM 0 HD13 LEU A 59 2.929 -0.497 0.480 1.00 12.50 H new ATOM 0 HD21 LEU A 59 1.193 1.580 -1.010 1.00 55.54 H new ATOM 0 HD22 LEU A 59 2.393 2.018 0.229 1.00 55.54 H new ATOM 0 HD23 LEU A 59 2.484 2.744 -1.393 1.00 55.54 H new ATOM 882 N ASN A 60 7.562 1.738 -1.762 1.00 74.50 N ATOM 883 CA ASN A 60 8.966 2.017 -1.424 1.00 60.24 C ATOM 884 C ASN A 60 9.434 3.339 -2.034 1.00 34.01 C ATOM 885 O ASN A 60 9.797 4.269 -1.311 1.00 71.32 O ATOM 886 CB ASN A 60 9.883 0.887 -1.897 1.00 12.20 C ATOM 887 CG ASN A 60 9.769 -0.349 -1.036 1.00 70.32 C ATOM 888 OD1 ASN A 60 10.409 -0.452 -0.008 1.00 13.13 O ATOM 889 ND2 ASN A 60 8.967 -1.302 -1.450 1.00 25.01 N ATOM 0 H ASN A 60 7.418 0.860 -2.261 1.00 74.50 H new ATOM 0 HA ASN A 60 9.023 2.091 -0.338 1.00 60.24 H new ATOM 0 HB2 ASN A 60 9.638 0.632 -2.928 1.00 12.20 H new ATOM 0 HB3 ASN A 60 10.916 1.235 -1.892 1.00 12.20 H new ATOM 0 HD21 ASN A 60 8.868 -2.158 -0.904 1.00 25.01 H new ATOM 0 HD22 ASN A 60 8.443 -1.186 -2.317 1.00 25.01 H new ATOM 896 N GLU A 61 9.411 3.414 -3.367 1.00 12.01 N ATOM 897 CA GLU A 61 9.823 4.623 -4.092 1.00 63.54 C ATOM 898 C GLU A 61 9.205 5.880 -3.468 1.00 23.15 C ATOM 899 O GLU A 61 9.897 6.864 -3.227 1.00 13.12 O ATOM 900 CB GLU A 61 9.432 4.510 -5.577 1.00 60.50 C ATOM 901 CG GLU A 61 10.197 3.424 -6.330 1.00 62.35 C ATOM 902 CD GLU A 61 9.740 3.244 -7.773 1.00 32.34 C ATOM 903 OE1 GLU A 61 9.761 4.233 -8.542 1.00 63.22 O ATOM 904 OE2 GLU A 61 9.396 2.106 -8.161 1.00 23.20 O ATOM 0 H GLU A 61 9.110 2.649 -3.970 1.00 12.01 H new ATOM 0 HA GLU A 61 10.907 4.712 -4.018 1.00 63.54 H new ATOM 0 HB2 GLU A 61 8.364 4.306 -5.648 1.00 60.50 H new ATOM 0 HB3 GLU A 61 9.606 5.469 -6.064 1.00 60.50 H new ATOM 0 HG2 GLU A 61 11.259 3.668 -6.322 1.00 62.35 H new ATOM 0 HG3 GLU A 61 10.083 2.478 -5.801 1.00 62.35 H new ATOM 911 N TYR A 62 7.908 5.817 -3.177 1.00 11.44 N ATOM 912 CA TYR A 62 7.187 6.926 -2.537 1.00 11.20 C ATOM 913 C TYR A 62 7.884 7.416 -1.255 1.00 73.25 C ATOM 914 O TYR A 62 8.257 8.590 -1.149 1.00 52.40 O ATOM 915 CB TYR A 62 5.751 6.483 -2.231 1.00 21.11 C ATOM 916 CG TYR A 62 4.921 7.494 -1.457 1.00 34.15 C ATOM 917 CD1 TYR A 62 4.402 8.624 -2.082 1.00 11.23 C ATOM 918 CD2 TYR A 62 4.646 7.307 -0.105 1.00 4.22 C ATOM 919 CE1 TYR A 62 3.636 9.538 -1.381 1.00 30.24 C ATOM 920 CE2 TYR A 62 3.881 8.215 0.599 1.00 24.52 C ATOM 921 CZ TYR A 62 3.378 9.329 -0.040 1.00 11.53 C ATOM 922 OH TYR A 62 2.619 10.234 0.667 1.00 22.22 O ATOM 0 H TYR A 62 7.326 5.003 -3.375 1.00 11.44 H new ATOM 0 HA TYR A 62 7.179 7.768 -3.230 1.00 11.20 H new ATOM 0 HB2 TYR A 62 5.246 6.264 -3.172 1.00 21.11 H new ATOM 0 HB3 TYR A 62 5.786 5.553 -1.664 1.00 21.11 H new ATOM 0 HD1 TYR A 62 4.600 8.790 -3.131 1.00 11.23 H new ATOM 0 HD2 TYR A 62 5.038 6.437 0.401 1.00 4.22 H new ATOM 0 HE1 TYR A 62 3.241 10.411 -1.880 1.00 30.24 H new ATOM 0 HE2 TYR A 62 3.677 8.054 1.647 1.00 24.52 H new ATOM 0 HH TYR A 62 2.976 10.322 1.575 1.00 22.22 H new ATOM 932 N PHE A 63 8.065 6.523 -0.282 1.00 21.42 N ATOM 933 CA PHE A 63 8.744 6.882 0.973 1.00 51.33 C ATOM 934 C PHE A 63 10.182 7.355 0.714 1.00 64.32 C ATOM 935 O PHE A 63 10.632 8.353 1.284 1.00 64.23 O ATOM 936 CB PHE A 63 8.764 5.696 1.948 1.00 42.14 C ATOM 937 CG PHE A 63 7.433 5.404 2.597 1.00 11.32 C ATOM 938 CD1 PHE A 63 6.974 6.190 3.648 1.00 4.31 C ATOM 939 CD2 PHE A 63 6.649 4.340 2.173 1.00 10.41 C ATOM 940 CE1 PHE A 63 5.763 5.919 4.256 1.00 1.42 C ATOM 941 CE2 PHE A 63 5.437 4.068 2.777 1.00 55.44 C ATOM 942 CZ PHE A 63 4.994 4.858 3.821 1.00 40.20 C ATOM 0 H PHE A 63 7.756 5.552 -0.333 1.00 21.42 H new ATOM 0 HA PHE A 63 8.180 7.701 1.420 1.00 51.33 H new ATOM 0 HB2 PHE A 63 9.097 4.807 1.413 1.00 42.14 H new ATOM 0 HB3 PHE A 63 9.500 5.894 2.728 1.00 42.14 H new ATOM 0 HD1 PHE A 63 7.571 7.022 3.993 1.00 4.31 H new ATOM 0 HD2 PHE A 63 6.991 3.717 1.360 1.00 10.41 H new ATOM 0 HE1 PHE A 63 5.418 6.537 5.072 1.00 1.42 H new ATOM 0 HE2 PHE A 63 4.836 3.239 2.434 1.00 55.44 H new ATOM 0 HZ PHE A 63 4.048 4.646 4.296 1.00 40.20 H new ATOM 952 N GLU A 64 10.887 6.644 -0.163 1.00 2.21 N ATOM 953 CA GLU A 64 12.293 6.939 -0.452 1.00 24.23 C ATOM 954 C GLU A 64 12.451 8.281 -1.192 1.00 21.24 C ATOM 955 O GLU A 64 13.534 8.870 -1.200 1.00 51.43 O ATOM 956 CB GLU A 64 12.926 5.776 -1.236 1.00 63.10 C ATOM 957 CG GLU A 64 12.777 4.433 -0.516 1.00 53.21 C ATOM 958 CD GLU A 64 13.671 3.327 -1.067 1.00 10.43 C ATOM 959 OE1 GLU A 64 14.828 3.201 -0.604 1.00 34.01 O ATOM 960 OE2 GLU A 64 13.215 2.554 -1.938 1.00 63.42 O ATOM 0 H GLU A 64 10.508 5.856 -0.689 1.00 2.21 H new ATOM 0 HA GLU A 64 12.825 7.042 0.494 1.00 24.23 H new ATOM 0 HB2 GLU A 64 12.462 5.710 -2.220 1.00 63.10 H new ATOM 0 HB3 GLU A 64 13.984 5.983 -1.396 1.00 63.10 H new ATOM 0 HG2 GLU A 64 13.001 4.573 0.541 1.00 53.21 H new ATOM 0 HG3 GLU A 64 11.738 4.111 -0.582 1.00 53.21 H new ATOM 967 N LYS A 65 11.374 8.766 -1.814 1.00 74.14 N ATOM 968 CA LYS A 65 11.342 10.143 -2.334 1.00 74.14 C ATOM 969 C LYS A 65 11.299 11.145 -1.170 1.00 64.54 C ATOM 970 O LYS A 65 12.032 12.138 -1.152 1.00 14.25 O ATOM 971 CB LYS A 65 10.119 10.374 -3.235 1.00 65.45 C ATOM 972 CG LYS A 65 10.077 9.498 -4.483 1.00 24.44 C ATOM 973 CD LYS A 65 11.162 9.857 -5.498 1.00 71.34 C ATOM 974 CE LYS A 65 11.020 9.033 -6.778 1.00 10.54 C ATOM 975 NZ LYS A 65 12.082 9.339 -7.774 1.00 15.40 N ATOM 0 H LYS A 65 10.518 8.235 -1.971 1.00 74.14 H new ATOM 0 HA LYS A 65 12.246 10.293 -2.925 1.00 74.14 H new ATOM 0 HB2 LYS A 65 9.215 10.197 -2.652 1.00 65.45 H new ATOM 0 HB3 LYS A 65 10.101 11.420 -3.540 1.00 65.45 H new ATOM 0 HG2 LYS A 65 10.190 8.454 -4.192 1.00 24.44 H new ATOM 0 HG3 LYS A 65 9.099 9.593 -4.955 1.00 24.44 H new ATOM 0 HD2 LYS A 65 11.102 10.919 -5.738 1.00 71.34 H new ATOM 0 HD3 LYS A 65 12.145 9.685 -5.059 1.00 71.34 H new ATOM 0 HE2 LYS A 65 11.055 7.972 -6.529 1.00 10.54 H new ATOM 0 HE3 LYS A 65 10.043 9.224 -7.223 1.00 10.54 H new ATOM 0 HZ1 LYS A 65 11.941 8.755 -8.623 1.00 15.40 H new ATOM 0 HZ2 LYS A 65 12.034 10.345 -8.034 1.00 15.40 H new ATOM 0 HZ3 LYS A 65 13.014 9.132 -7.362 1.00 15.40 H new ATOM 989 N LYS A 66 10.433 10.866 -0.192 1.00 1.13 N ATOM 990 CA LYS A 66 10.280 11.729 0.987 1.00 3.31 C ATOM 991 C LYS A 66 11.586 11.830 1.783 1.00 40.31 C ATOM 992 O LYS A 66 11.935 12.899 2.289 1.00 42.20 O ATOM 993 CB LYS A 66 9.176 11.205 1.909 1.00 34.22 C ATOM 994 CG LYS A 66 7.809 11.078 1.247 1.00 20.02 C ATOM 995 CD LYS A 66 6.734 10.697 2.261 1.00 70.21 C ATOM 996 CE LYS A 66 6.551 11.784 3.318 1.00 3.11 C ATOM 997 NZ LYS A 66 5.544 11.412 4.345 1.00 21.53 N ATOM 0 H LYS A 66 9.825 10.047 -0.192 1.00 1.13 H new ATOM 0 HA LYS A 66 10.010 12.720 0.621 1.00 3.31 H new ATOM 0 HB2 LYS A 66 9.473 10.229 2.292 1.00 34.22 H new ATOM 0 HB3 LYS A 66 9.090 11.871 2.767 1.00 34.22 H new ATOM 0 HG2 LYS A 66 7.544 12.022 0.771 1.00 20.02 H new ATOM 0 HG3 LYS A 66 7.852 10.325 0.460 1.00 20.02 H new ATOM 0 HD2 LYS A 66 5.789 10.527 1.745 1.00 70.21 H new ATOM 0 HD3 LYS A 66 7.005 9.759 2.745 1.00 70.21 H new ATOM 0 HE2 LYS A 66 7.507 11.979 3.804 1.00 3.11 H new ATOM 0 HE3 LYS A 66 6.246 12.711 2.833 1.00 3.11 H new ATOM 0 HZ1 LYS A 66 5.344 12.235 4.949 1.00 21.53 H new ATOM 0 HZ2 LYS A 66 4.668 11.105 3.877 1.00 21.53 H new ATOM 0 HZ3 LYS A 66 5.915 10.636 4.930 1.00 21.53 H new ATOM 1011 N GLU A 67 12.301 10.713 1.894 1.00 32.43 N ATOM 1012 CA GLU A 67 13.588 10.675 2.604 1.00 62.04 C ATOM 1013 C GLU A 67 14.632 11.591 1.933 1.00 12.03 C ATOM 1014 O GLU A 67 15.706 11.840 2.486 1.00 54.11 O ATOM 1015 CB GLU A 67 14.105 9.229 2.678 1.00 73.13 C ATOM 1016 CG GLU A 67 13.136 8.271 3.370 1.00 21.01 C ATOM 1017 CD GLU A 67 13.708 6.876 3.582 1.00 73.41 C ATOM 1018 OE1 GLU A 67 13.776 6.094 2.613 1.00 65.34 O ATOM 1019 OE2 GLU A 67 14.082 6.546 4.728 1.00 35.01 O ATOM 0 H GLU A 67 12.014 9.816 1.502 1.00 32.43 H new ATOM 0 HA GLU A 67 13.428 11.048 3.616 1.00 62.04 H new ATOM 0 HB2 GLU A 67 14.300 8.869 1.668 1.00 73.13 H new ATOM 0 HB3 GLU A 67 15.056 9.218 3.210 1.00 73.13 H new ATOM 0 HG2 GLU A 67 12.852 8.689 4.336 1.00 21.01 H new ATOM 0 HG3 GLU A 67 12.226 8.195 2.775 1.00 21.01 H new ATOM 1026 N VAL A 68 14.309 12.072 0.731 1.00 32.55 N ATOM 1027 CA VAL A 68 15.133 13.057 0.021 1.00 23.42 C ATOM 1028 C VAL A 68 14.544 14.476 0.150 1.00 73.41 C ATOM 1029 O VAL A 68 15.245 15.426 0.505 1.00 54.03 O ATOM 1030 CB VAL A 68 15.254 12.698 -1.482 1.00 45.13 C ATOM 1031 CG1 VAL A 68 16.086 13.738 -2.229 1.00 74.30 C ATOM 1032 CG2 VAL A 68 15.836 11.297 -1.657 1.00 22.00 C ATOM 0 H VAL A 68 13.471 11.792 0.222 1.00 32.55 H new ATOM 0 HA VAL A 68 16.121 13.037 0.480 1.00 23.42 H new ATOM 0 HB VAL A 68 14.253 12.704 -1.914 1.00 45.13 H new ATOM 0 HG11 VAL A 68 16.155 13.462 -3.281 1.00 74.30 H new ATOM 0 HG12 VAL A 68 15.611 14.715 -2.141 1.00 74.30 H new ATOM 0 HG13 VAL A 68 17.087 13.781 -1.799 1.00 74.30 H new ATOM 0 HG21 VAL A 68 15.912 11.065 -2.719 1.00 22.00 H new ATOM 0 HG22 VAL A 68 16.827 11.255 -1.204 1.00 22.00 H new ATOM 0 HG23 VAL A 68 15.185 10.569 -1.173 1.00 22.00 H new ATOM 1042 N LEU A 69 13.254 14.605 -0.153 1.00 15.21 N ATOM 1043 CA LEU A 69 12.551 15.894 -0.099 1.00 33.10 C ATOM 1044 C LEU A 69 12.574 16.524 1.307 1.00 72.25 C ATOM 1045 O LEU A 69 12.955 17.686 1.467 1.00 55.14 O ATOM 1046 CB LEU A 69 11.102 15.702 -0.559 1.00 31.33 C ATOM 1047 CG LEU A 69 10.940 15.227 -2.013 1.00 23.41 C ATOM 1048 CD1 LEU A 69 9.485 14.888 -2.313 1.00 34.40 C ATOM 1049 CD2 LEU A 69 11.460 16.282 -2.986 1.00 32.14 C ATOM 0 H LEU A 69 12.664 13.825 -0.442 1.00 15.21 H new ATOM 0 HA LEU A 69 13.074 16.581 -0.765 1.00 33.10 H new ATOM 0 HB2 LEU A 69 10.620 14.979 0.099 1.00 31.33 H new ATOM 0 HB3 LEU A 69 10.570 16.646 -0.439 1.00 31.33 H new ATOM 0 HG LEU A 69 11.533 14.321 -2.142 1.00 23.41 H new ATOM 0 HD11 LEU A 69 9.395 14.555 -3.347 1.00 34.40 H new ATOM 0 HD12 LEU A 69 9.151 14.094 -1.645 1.00 34.40 H new ATOM 0 HD13 LEU A 69 8.867 15.773 -2.162 1.00 34.40 H new ATOM 0 HD21 LEU A 69 11.336 15.926 -4.009 1.00 32.14 H new ATOM 0 HD22 LEU A 69 10.899 17.207 -2.853 1.00 32.14 H new ATOM 0 HD23 LEU A 69 12.516 16.467 -2.792 1.00 32.14 H new ATOM 1061 N GLU A 70 12.144 15.763 2.314 1.00 1.05 N ATOM 1062 CA GLU A 70 12.091 16.251 3.703 1.00 21.25 C ATOM 1063 C GLU A 70 13.503 16.453 4.302 1.00 64.04 C ATOM 1064 O GLU A 70 14.057 17.565 4.160 1.00 37.32 O ATOM 1065 CB GLU A 70 11.274 15.278 4.571 1.00 23.13 C ATOM 1066 CG GLU A 70 9.921 14.915 3.971 1.00 4.34 C ATOM 1067 CD GLU A 70 9.053 14.102 4.921 1.00 24.21 C ATOM 1068 OE1 GLU A 70 9.202 12.863 4.963 1.00 12.42 O ATOM 1069 OE2 GLU A 70 8.216 14.698 5.634 1.00 74.22 O ATOM 0 H GLU A 70 11.825 14.801 2.198 1.00 1.05 H new ATOM 0 HA GLU A 70 11.602 17.225 3.693 1.00 21.25 H new ATOM 0 HB2 GLU A 70 11.852 14.366 4.722 1.00 23.13 H new ATOM 0 HB3 GLU A 70 11.119 15.723 5.554 1.00 23.13 H new ATOM 0 HG2 GLU A 70 9.394 15.829 3.696 1.00 4.34 H new ATOM 0 HG3 GLU A 70 10.076 14.348 3.053 1.00 4.34 H new TER 1076 GLU A 70