USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 693 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 33 GLN : amide:sc= -4.24! K(o=-3.8!,f=-2.4) USER MOD Set 1.2: A 66 LYS NZ :NH3+ -111:sc= 0.451 (180deg=-2.02) USER MOD Set 2.1: A 2 GLN : amide:sc= -0.574 K(o=-2.1,f=-3.7) USER MOD Set 2.2: A 70 MET CE :methyl 139:sc= -1.48 (180deg=-3.6!) USER MOD Single : A 1 SER N :NH3+ -133:sc= 0.208 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.386 USER MOD Single : A 7 LYS NZ :NH3+ -127:sc= 0.949 (180deg=-0.0728) USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= 0.239 (180deg=-2.14!) USER MOD Single : A 14 HIS : no HE2:sc= -4.87! C(o=-4.9!,f=-16!) USER MOD Single : A 16 LYS NZ :NH3+ -142:sc= -1.17! (180deg=-3.79!) USER MOD Single : A 17 THR OG1 : rot 123:sc=-0.00219 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.207) USER MOD Single : A 24 MET CE :methyl -124:sc= -0.347 (180deg=-4.19!) USER MOD Single : A 28 TYR OH : rot -78:sc= 0.71 USER MOD Single : A 29 SER OG : rot -62:sc= 0.631! USER MOD Single : A 30 HIS : no HD1:sc= -2.44! C(o=-2.4!,f=-4.7!) USER MOD Single : A 31 TYR OH : rot -27:sc= 0.749 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -92:sc= 0.462 USER MOD Single : A 40 ASN : amide:sc= -1.22! C(o=-1.2!,f=-9.7!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.902 USER MOD Single : A 46 MET CE :methyl -93:sc= -0.216 (180deg=-0.334) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 144:sc= 0.728 (180deg=-0.971) USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= -2.91! (180deg=-3.73!) USER MOD Single : A 59 ASN : amide:sc= -5.24! K(o=-5.2!,f=-4.2) USER MOD Single : A 62 LYS NZ :NH3+ -124:sc= 0.283! (180deg=-4.27!) USER MOD Single : A 64 THR OG1 : rot -65:sc= 0.0162 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -124:sc= 0.328 (180deg=-2.21!) USER MOD Single : A 73 TYR OH : rot 79:sc= -1.26! USER MOD Single : A 76 LYS NZ :NH3+ -101:sc= -4.27! (180deg=-5.94!) USER MOD Single : A 81 LYS NZ :NH3+ -147:sc= 0.853 (180deg=-0.756!) USER MOD Single : A 82 LYS NZ :NH3+ 146:sc= -0.746! (180deg=-4.4!) USER MOD Single : A 83 LYS NZ :NH3+ 134:sc= 0.932 (180deg=-0.375) USER MOD Single : A 84 TYR OH : rot 111:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.777 1.815 -9.400 1.00 3.56 N ATOM 2 CA SER A 1 5.752 2.201 -8.376 1.00 2.57 C ATOM 3 C SER A 1 6.168 3.561 -7.782 1.00 2.10 C ATOM 4 O SER A 1 7.069 4.175 -8.316 1.00 2.37 O ATOM 5 CB SER A 1 5.597 1.150 -7.246 1.00 2.22 C ATOM 6 OG SER A 1 4.397 1.598 -6.619 1.00 1.35 O ATOM 0 H1 SER A 1 6.299 1.499 -10.268 1.00 3.56 H new ATOM 0 H2 SER A 1 7.378 2.636 -9.616 1.00 3.56 H new ATOM 0 H3 SER A 1 7.366 1.043 -9.028 1.00 3.56 H new ATOM 0 HA SER A 1 4.780 2.261 -8.867 1.00 2.57 H new ATOM 0 HB2 SER A 1 5.505 0.136 -7.636 1.00 2.22 H new ATOM 0 HB3 SER A 1 6.445 1.152 -6.562 1.00 2.22 H new ATOM 0 HG SER A 1 4.178 1.005 -5.870 1.00 1.35 H new ATOM 14 N GLN A 2 5.525 3.965 -6.718 1.00 1.64 N ATOM 15 CA GLN A 2 5.824 5.278 -6.042 1.00 1.14 C ATOM 16 C GLN A 2 6.846 5.087 -4.887 1.00 1.17 C ATOM 17 O GLN A 2 6.983 4.001 -4.358 1.00 1.45 O ATOM 18 CB GLN A 2 4.457 5.736 -5.451 1.00 1.03 C ATOM 19 CG GLN A 2 4.508 7.225 -4.953 1.00 0.67 C ATOM 20 CD GLN A 2 4.467 8.213 -6.123 1.00 1.07 C ATOM 21 OE1 GLN A 2 4.709 7.889 -7.269 1.00 1.75 O ATOM 22 NE2 GLN A 2 4.167 9.449 -5.879 1.00 0.90 N ATOM 0 H GLN A 2 4.782 3.428 -6.271 1.00 1.64 H new ATOM 0 HA GLN A 2 6.255 6.000 -6.736 1.00 1.14 H new ATOM 0 HB2 GLN A 2 3.680 5.632 -6.208 1.00 1.03 H new ATOM 0 HB3 GLN A 2 4.183 5.084 -4.622 1.00 1.03 H new ATOM 0 HG2 GLN A 2 3.667 7.415 -4.286 1.00 0.67 H new ATOM 0 HG3 GLN A 2 5.417 7.384 -4.373 1.00 0.67 H new ATOM 0 HE21 GLN A 2 3.960 9.745 -4.925 1.00 0.90 H new ATOM 0 HE22 GLN A 2 4.138 10.127 -6.641 1.00 0.90 H new ATOM 31 N ALA A 3 7.539 6.128 -4.517 1.00 1.03 N ATOM 32 CA ALA A 3 8.554 6.026 -3.407 1.00 1.09 C ATOM 33 C ALA A 3 7.942 6.554 -2.088 1.00 0.92 C ATOM 34 O ALA A 3 6.730 6.556 -1.975 1.00 1.07 O ATOM 35 CB ALA A 3 9.714 6.894 -3.873 1.00 1.29 C ATOM 0 H ALA A 3 7.452 7.055 -4.933 1.00 1.03 H new ATOM 0 HA ALA A 3 8.874 5.003 -3.209 1.00 1.09 H new ATOM 0 HB1 ALA A 3 10.504 6.879 -3.122 1.00 1.29 H new ATOM 0 HB2 ALA A 3 10.102 6.508 -4.816 1.00 1.29 H new ATOM 0 HB3 ALA A 3 9.368 7.918 -4.015 1.00 1.29 H new ATOM 41 N GLU A 4 8.715 7.003 -1.116 1.00 0.65 N ATOM 42 CA GLU A 4 8.024 7.501 0.121 1.00 0.73 C ATOM 43 C GLU A 4 7.972 9.019 -0.045 1.00 0.60 C ATOM 44 O GLU A 4 7.516 9.764 0.781 1.00 0.82 O ATOM 45 CB GLU A 4 8.764 7.138 1.397 1.00 0.74 C ATOM 46 CG GLU A 4 10.072 7.929 1.613 1.00 0.63 C ATOM 47 CD GLU A 4 9.944 8.801 2.867 1.00 2.44 C ATOM 48 OE1 GLU A 4 9.925 8.226 3.941 1.00 2.87 O ATOM 49 OE2 GLU A 4 9.860 10.002 2.692 1.00 3.57 O ATOM 0 H GLU A 4 9.734 7.045 -1.122 1.00 0.65 H new ATOM 0 HA GLU A 4 7.039 7.045 0.221 1.00 0.73 H new ATOM 0 HB2 GLU A 4 8.104 7.308 2.248 1.00 0.74 H new ATOM 0 HB3 GLU A 4 8.995 6.073 1.380 1.00 0.74 H new ATOM 0 HG2 GLU A 4 10.911 7.242 1.720 1.00 0.63 H new ATOM 0 HG3 GLU A 4 10.280 8.553 0.744 1.00 0.63 H new ATOM 56 N PHE A 5 8.470 9.439 -1.158 1.00 0.32 N ATOM 57 CA PHE A 5 8.532 10.851 -1.546 1.00 0.16 C ATOM 58 C PHE A 5 7.427 11.749 -0.969 1.00 0.07 C ATOM 59 O PHE A 5 7.707 12.773 -0.398 1.00 0.08 O ATOM 60 CB PHE A 5 8.407 10.716 -3.030 1.00 0.19 C ATOM 61 CG PHE A 5 8.191 12.048 -3.702 1.00 0.14 C ATOM 62 CD1 PHE A 5 9.231 12.862 -4.044 1.00 0.88 C ATOM 63 CD2 PHE A 5 6.914 12.424 -3.976 1.00 0.93 C ATOM 64 CE1 PHE A 5 9.029 14.066 -4.671 1.00 0.93 C ATOM 65 CE2 PHE A 5 6.665 13.600 -4.591 1.00 0.92 C ATOM 66 CZ PHE A 5 7.711 14.425 -4.944 1.00 0.13 C ATOM 0 H PHE A 5 8.862 8.810 -1.859 1.00 0.32 H new ATOM 0 HA PHE A 5 9.427 11.348 -1.173 1.00 0.16 H new ATOM 0 HB2 PHE A 5 9.308 10.251 -3.429 1.00 0.19 H new ATOM 0 HB3 PHE A 5 7.575 10.052 -3.265 1.00 0.19 H new ATOM 0 HD1 PHE A 5 10.240 12.551 -3.815 1.00 0.88 H new ATOM 0 HD2 PHE A 5 6.093 11.778 -3.700 1.00 0.93 H new ATOM 0 HE1 PHE A 5 9.855 14.707 -4.941 1.00 0.93 H new ATOM 0 HE2 PHE A 5 5.648 13.894 -4.806 1.00 0.92 H new ATOM 0 HZ PHE A 5 7.506 15.363 -5.439 1.00 0.13 H new ATOM 76 N ASP A 6 6.200 11.342 -1.138 1.00 0.07 N ATOM 77 CA ASP A 6 5.071 12.130 -0.620 1.00 0.04 C ATOM 78 C ASP A 6 5.183 12.177 0.879 1.00 0.08 C ATOM 79 O ASP A 6 4.946 13.175 1.517 1.00 0.18 O ATOM 80 CB ASP A 6 3.847 11.569 -1.231 1.00 0.06 C ATOM 81 CG ASP A 6 3.760 12.090 -2.661 1.00 0.08 C ATOM 82 OD1 ASP A 6 3.683 13.311 -2.767 1.00 0.76 O ATOM 83 OD2 ASP A 6 3.794 11.230 -3.530 1.00 0.97 O ATOM 0 H ASP A 6 5.938 10.483 -1.621 1.00 0.07 H new ATOM 0 HA ASP A 6 5.054 13.184 -0.896 1.00 0.04 H new ATOM 0 HB2 ASP A 6 3.881 10.480 -1.223 1.00 0.06 H new ATOM 0 HB3 ASP A 6 2.966 11.865 -0.662 1.00 0.06 H new ATOM 88 N LYS A 7 5.573 11.074 1.427 1.00 0.26 N ATOM 89 CA LYS A 7 5.722 11.048 2.900 1.00 0.28 C ATOM 90 C LYS A 7 6.757 12.131 3.211 1.00 0.28 C ATOM 91 O LYS A 7 6.597 12.935 4.105 1.00 0.29 O ATOM 92 CB LYS A 7 6.224 9.691 3.351 1.00 0.33 C ATOM 93 CG LYS A 7 6.234 9.511 4.910 1.00 0.27 C ATOM 94 CD LYS A 7 4.872 9.848 5.637 1.00 1.36 C ATOM 95 CE LYS A 7 4.789 11.364 5.980 1.00 2.07 C ATOM 96 NZ LYS A 7 4.332 11.523 7.405 1.00 2.51 N ATOM 0 H LYS A 7 5.791 10.207 0.936 1.00 0.26 H new ATOM 0 HA LYS A 7 4.777 11.225 3.414 1.00 0.28 H new ATOM 0 HB2 LYS A 7 5.598 8.916 2.908 1.00 0.33 H new ATOM 0 HB3 LYS A 7 7.234 9.542 2.970 1.00 0.33 H new ATOM 0 HG2 LYS A 7 6.503 8.480 5.139 1.00 0.27 H new ATOM 0 HG3 LYS A 7 7.016 10.145 5.327 1.00 0.27 H new ATOM 0 HD2 LYS A 7 4.035 9.569 4.998 1.00 1.36 H new ATOM 0 HD3 LYS A 7 4.786 9.259 6.550 1.00 1.36 H new ATOM 0 HE2 LYS A 7 5.763 11.834 5.843 1.00 2.07 H new ATOM 0 HE3 LYS A 7 4.095 11.865 5.305 1.00 2.07 H new ATOM 0 HZ1 LYS A 7 3.510 12.160 7.437 1.00 2.51 H new ATOM 0 HZ2 LYS A 7 4.065 10.594 7.790 1.00 2.51 H new ATOM 0 HZ3 LYS A 7 5.104 11.925 7.974 1.00 2.51 H new ATOM 110 N ALA A 8 7.799 12.092 2.424 1.00 0.30 N ATOM 111 CA ALA A 8 8.900 13.096 2.602 1.00 0.29 C ATOM 112 C ALA A 8 8.271 14.483 2.537 1.00 0.23 C ATOM 113 O ALA A 8 8.413 15.293 3.422 1.00 0.23 O ATOM 114 CB ALA A 8 10.019 12.894 1.576 1.00 0.20 C ATOM 0 H ALA A 8 7.939 11.418 1.672 1.00 0.30 H new ATOM 0 HA ALA A 8 9.384 12.969 3.570 1.00 0.29 H new ATOM 0 HB1 ALA A 8 10.798 13.639 1.736 1.00 0.20 H new ATOM 0 HB2 ALA A 8 10.442 11.896 1.691 1.00 0.20 H new ATOM 0 HB3 ALA A 8 9.614 13.003 0.570 1.00 0.20 H new ATOM 120 N ALA A 9 7.584 14.713 1.474 1.00 0.17 N ATOM 121 CA ALA A 9 6.885 16.013 1.243 1.00 0.11 C ATOM 122 C ALA A 9 6.091 16.382 2.504 1.00 0.17 C ATOM 123 O ALA A 9 6.164 17.482 3.001 1.00 0.16 O ATOM 124 CB ALA A 9 5.993 15.814 0.023 1.00 0.06 C ATOM 0 H ALA A 9 7.466 14.036 0.720 1.00 0.17 H new ATOM 0 HA ALA A 9 7.573 16.837 1.053 1.00 0.11 H new ATOM 0 HB1 ALA A 9 5.457 16.739 -0.190 1.00 0.06 H new ATOM 0 HB2 ALA A 9 6.607 15.544 -0.836 1.00 0.06 H new ATOM 0 HB3 ALA A 9 5.277 15.017 0.222 1.00 0.06 H new ATOM 130 N GLU A 10 5.348 15.443 3.004 1.00 0.24 N ATOM 131 CA GLU A 10 4.534 15.682 4.238 1.00 0.35 C ATOM 132 C GLU A 10 5.446 15.955 5.460 1.00 0.52 C ATOM 133 O GLU A 10 5.186 16.843 6.245 1.00 0.72 O ATOM 134 CB GLU A 10 3.689 14.433 4.462 1.00 0.30 C ATOM 135 CG GLU A 10 2.608 14.294 3.325 1.00 1.33 C ATOM 136 CD GLU A 10 1.628 15.465 3.352 1.00 2.76 C ATOM 137 OE1 GLU A 10 0.937 15.578 4.353 1.00 2.94 O ATOM 138 OE2 GLU A 10 1.601 16.211 2.392 1.00 4.25 O ATOM 0 H GLU A 10 5.264 14.505 2.611 1.00 0.24 H new ATOM 0 HA GLU A 10 3.901 16.561 4.116 1.00 0.35 H new ATOM 0 HB2 GLU A 10 4.329 13.550 4.475 1.00 0.30 H new ATOM 0 HB3 GLU A 10 3.199 14.486 5.434 1.00 0.30 H new ATOM 0 HG2 GLU A 10 3.101 14.251 2.354 1.00 1.33 H new ATOM 0 HG3 GLU A 10 2.064 13.358 3.449 1.00 1.33 H new ATOM 145 N GLU A 11 6.496 15.188 5.595 1.00 0.53 N ATOM 146 CA GLU A 11 7.476 15.306 6.697 1.00 0.76 C ATOM 147 C GLU A 11 8.051 16.689 6.693 1.00 0.67 C ATOM 148 O GLU A 11 7.996 17.441 7.647 1.00 0.80 O ATOM 149 CB GLU A 11 8.595 14.286 6.469 1.00 0.81 C ATOM 150 CG GLU A 11 8.294 12.857 6.990 1.00 1.14 C ATOM 151 CD GLU A 11 7.850 12.882 8.445 1.00 0.96 C ATOM 152 OE1 GLU A 11 8.733 13.103 9.263 1.00 1.73 O ATOM 153 OE2 GLU A 11 6.656 12.689 8.613 1.00 2.18 O ATOM 0 H GLU A 11 6.718 14.440 4.938 1.00 0.53 H new ATOM 0 HA GLU A 11 6.993 15.116 7.655 1.00 0.76 H new ATOM 0 HB2 GLU A 11 8.804 14.231 5.401 1.00 0.81 H new ATOM 0 HB3 GLU A 11 9.502 14.649 6.953 1.00 0.81 H new ATOM 0 HG2 GLU A 11 7.516 12.401 6.378 1.00 1.14 H new ATOM 0 HG3 GLU A 11 9.184 12.236 6.890 1.00 1.14 H new ATOM 160 N VAL A 12 8.593 16.988 5.564 1.00 0.46 N ATOM 161 CA VAL A 12 9.213 18.283 5.360 1.00 0.39 C ATOM 162 C VAL A 12 8.181 19.423 5.484 1.00 0.44 C ATOM 163 O VAL A 12 8.430 20.372 6.191 1.00 0.54 O ATOM 164 CB VAL A 12 9.905 18.162 4.007 1.00 0.34 C ATOM 165 CG1 VAL A 12 9.167 18.856 2.887 1.00 0.31 C ATOM 166 CG2 VAL A 12 11.349 18.595 4.131 1.00 0.37 C ATOM 0 H VAL A 12 8.628 16.364 4.758 1.00 0.46 H new ATOM 0 HA VAL A 12 9.947 18.549 6.121 1.00 0.39 H new ATOM 0 HB VAL A 12 9.890 17.111 3.717 1.00 0.34 H new ATOM 0 HG11 VAL A 12 9.717 18.728 1.955 1.00 0.31 H new ATOM 0 HG12 VAL A 12 8.172 18.423 2.784 1.00 0.31 H new ATOM 0 HG13 VAL A 12 9.078 19.919 3.113 1.00 0.31 H new ATOM 0 HG21 VAL A 12 11.840 18.507 3.162 1.00 0.37 H new ATOM 0 HG22 VAL A 12 11.391 19.631 4.466 1.00 0.37 H new ATOM 0 HG23 VAL A 12 11.859 17.959 4.855 1.00 0.37 H new ATOM 176 N LYS A 13 7.052 19.337 4.826 1.00 0.39 N ATOM 177 CA LYS A 13 6.009 20.415 4.913 1.00 0.43 C ATOM 178 C LYS A 13 5.573 20.735 6.373 1.00 0.48 C ATOM 179 O LYS A 13 4.731 21.588 6.577 1.00 0.62 O ATOM 180 CB LYS A 13 4.773 20.087 3.982 1.00 0.37 C ATOM 181 CG LYS A 13 3.604 19.422 4.763 1.00 2.43 C ATOM 182 CD LYS A 13 2.464 19.048 3.772 1.00 2.49 C ATOM 183 CE LYS A 13 1.191 18.621 4.528 1.00 3.95 C ATOM 184 NZ LYS A 13 0.223 18.071 3.533 1.00 4.24 N ATOM 0 H LYS A 13 6.802 18.554 4.222 1.00 0.39 H new ATOM 0 HA LYS A 13 6.475 21.328 4.543 1.00 0.43 H new ATOM 0 HB2 LYS A 13 4.419 21.006 3.516 1.00 0.37 H new ATOM 0 HB3 LYS A 13 5.093 19.424 3.178 1.00 0.37 H new ATOM 0 HG2 LYS A 13 3.959 18.530 5.279 1.00 2.43 H new ATOM 0 HG3 LYS A 13 3.228 20.104 5.526 1.00 2.43 H new ATOM 0 HD2 LYS A 13 2.241 19.901 3.130 1.00 2.49 H new ATOM 0 HD3 LYS A 13 2.794 18.238 3.122 1.00 2.49 H new ATOM 0 HE2 LYS A 13 1.430 17.871 5.282 1.00 3.95 H new ATOM 0 HE3 LYS A 13 0.756 19.472 5.052 1.00 3.95 H new ATOM 0 HZ1 LYS A 13 -0.349 17.326 3.980 1.00 4.24 H new ATOM 0 HZ2 LYS A 13 -0.401 18.833 3.198 1.00 4.24 H new ATOM 0 HZ3 LYS A 13 0.744 17.671 2.727 1.00 4.24 H new ATOM 198 N HIS A 14 6.140 20.042 7.329 1.00 0.42 N ATOM 199 CA HIS A 14 5.831 20.242 8.777 1.00 0.46 C ATOM 200 C HIS A 14 6.964 20.817 9.608 1.00 0.28 C ATOM 201 O HIS A 14 6.711 21.743 10.353 1.00 0.15 O ATOM 202 CB HIS A 14 5.322 18.920 9.377 1.00 0.43 C ATOM 203 CG HIS A 14 6.205 18.286 10.435 1.00 2.22 C ATOM 204 ND1 HIS A 14 7.125 17.420 10.192 1.00 3.22 N ATOM 205 CD2 HIS A 14 6.230 18.465 11.798 1.00 3.32 C ATOM 206 CE1 HIS A 14 7.688 17.071 11.310 1.00 4.82 C ATOM 207 NE2 HIS A 14 7.159 17.703 12.329 1.00 4.94 N ATOM 0 H HIS A 14 6.834 19.315 7.155 1.00 0.42 H new ATOM 0 HA HIS A 14 5.056 21.007 8.817 1.00 0.46 H new ATOM 0 HB2 HIS A 14 4.338 19.096 9.811 1.00 0.43 H new ATOM 0 HB3 HIS A 14 5.189 18.204 8.566 1.00 0.43 H new ATOM 0 HD1 HIS A 14 7.373 17.064 9.269 1.00 3.22 H new ATOM 0 HD2 HIS A 14 5.583 19.132 12.349 1.00 3.32 H new ATOM 0 HE1 HIS A 14 8.490 16.352 11.389 1.00 4.82 H new ATOM 215 N LEU A 15 8.140 20.261 9.462 1.00 0.42 N ATOM 216 CA LEU A 15 9.338 20.718 10.218 1.00 0.29 C ATOM 217 C LEU A 15 9.229 22.044 10.870 1.00 0.19 C ATOM 218 O LEU A 15 9.550 23.077 10.322 1.00 0.70 O ATOM 219 CB LEU A 15 10.510 20.703 9.342 1.00 0.45 C ATOM 220 CG LEU A 15 10.481 19.394 8.609 1.00 0.54 C ATOM 221 CD1 LEU A 15 11.801 19.279 8.093 1.00 1.12 C ATOM 222 CD2 LEU A 15 10.231 18.197 9.513 1.00 0.83 C ATOM 0 H LEU A 15 8.321 19.483 8.827 1.00 0.42 H new ATOM 0 HA LEU A 15 9.433 20.007 11.039 1.00 0.29 H new ATOM 0 HB2 LEU A 15 10.482 21.539 8.643 1.00 0.45 H new ATOM 0 HB3 LEU A 15 11.428 20.802 9.921 1.00 0.45 H new ATOM 0 HG LEU A 15 9.679 19.390 7.871 1.00 0.54 H new ATOM 0 HD11 LEU A 15 11.893 18.348 7.533 1.00 1.12 H new ATOM 0 HD12 LEU A 15 12.008 20.121 7.433 1.00 1.12 H new ATOM 0 HD13 LEU A 15 12.515 19.279 8.917 1.00 1.12 H new ATOM 0 HD21 LEU A 15 10.223 17.285 8.916 1.00 0.83 H new ATOM 0 HD22 LEU A 15 11.022 18.134 10.261 1.00 0.83 H new ATOM 0 HD23 LEU A 15 9.269 18.312 10.012 1.00 0.83 H new ATOM 234 N LYS A 16 8.734 21.870 12.046 1.00 0.67 N ATOM 235 CA LYS A 16 8.482 23.001 13.019 1.00 1.09 C ATOM 236 C LYS A 16 9.435 24.239 12.917 1.00 0.68 C ATOM 237 O LYS A 16 9.135 25.310 13.406 1.00 0.69 O ATOM 238 CB LYS A 16 8.409 22.390 14.468 1.00 1.88 C ATOM 239 CG LYS A 16 9.472 22.953 15.461 1.00 1.38 C ATOM 240 CD LYS A 16 10.906 22.544 14.981 1.00 1.76 C ATOM 241 CE LYS A 16 11.981 22.907 15.984 1.00 2.63 C ATOM 242 NZ LYS A 16 11.675 22.125 17.213 1.00 2.96 N ATOM 0 H LYS A 16 8.474 20.953 12.410 1.00 0.67 H new ATOM 0 HA LYS A 16 7.529 23.452 12.742 1.00 1.09 H new ATOM 0 HB2 LYS A 16 7.415 22.574 14.877 1.00 1.88 H new ATOM 0 HB3 LYS A 16 8.531 21.309 14.399 1.00 1.88 H new ATOM 0 HG2 LYS A 16 9.392 24.039 15.518 1.00 1.38 H new ATOM 0 HG3 LYS A 16 9.289 22.567 16.464 1.00 1.38 H new ATOM 0 HD2 LYS A 16 10.932 21.470 14.799 1.00 1.76 H new ATOM 0 HD3 LYS A 16 11.120 23.033 14.031 1.00 1.76 H new ATOM 0 HE2 LYS A 16 12.971 22.661 15.601 1.00 2.63 H new ATOM 0 HE3 LYS A 16 11.976 23.977 16.191 1.00 2.63 H new ATOM 0 HZ1 LYS A 16 11.877 22.705 18.053 1.00 2.96 H new ATOM 0 HZ2 LYS A 16 10.671 21.855 17.212 1.00 2.96 H new ATOM 0 HZ3 LYS A 16 12.264 21.268 17.235 1.00 2.96 H new ATOM 256 N THR A 17 10.559 24.052 12.280 1.00 0.43 N ATOM 257 CA THR A 17 11.582 25.155 12.112 1.00 0.30 C ATOM 258 C THR A 17 11.376 26.003 10.832 1.00 0.80 C ATOM 259 O THR A 17 10.393 25.870 10.138 1.00 1.41 O ATOM 260 CB THR A 17 12.965 24.445 12.120 1.00 0.42 C ATOM 261 OG1 THR A 17 13.112 23.927 13.437 1.00 0.51 O ATOM 262 CG2 THR A 17 14.229 25.319 11.949 1.00 0.71 C ATOM 0 H THR A 17 10.828 23.165 11.855 1.00 0.43 H new ATOM 0 HA THR A 17 11.490 25.881 12.920 1.00 0.30 H new ATOM 0 HB THR A 17 12.932 23.758 11.274 1.00 0.42 H new ATOM 0 HG1 THR A 17 13.254 22.958 13.394 1.00 0.51 H new ATOM 0 HG21 THR A 17 15.116 24.686 11.975 1.00 0.71 H new ATOM 0 HG22 THR A 17 14.184 25.841 10.993 1.00 0.71 H new ATOM 0 HG23 THR A 17 14.280 26.048 12.758 1.00 0.71 H new ATOM 270 N LYS A 18 12.294 26.885 10.537 1.00 1.04 N ATOM 271 CA LYS A 18 12.215 27.772 9.318 1.00 1.53 C ATOM 272 C LYS A 18 13.087 27.369 8.062 1.00 1.04 C ATOM 273 O LYS A 18 14.036 28.068 7.746 1.00 0.96 O ATOM 274 CB LYS A 18 12.468 29.230 9.857 1.00 2.27 C ATOM 275 CG LYS A 18 12.754 30.293 8.754 1.00 3.10 C ATOM 276 CD LYS A 18 11.693 30.258 7.612 1.00 2.21 C ATOM 277 CE LYS A 18 12.312 30.794 6.316 1.00 3.51 C ATOM 278 NZ LYS A 18 12.778 32.202 6.545 1.00 4.69 N ATOM 0 H LYS A 18 13.127 27.038 11.105 1.00 1.04 H new ATOM 0 HA LYS A 18 11.231 27.665 8.861 1.00 1.53 H new ATOM 0 HB2 LYS A 18 11.597 29.547 10.430 1.00 2.27 H new ATOM 0 HB3 LYS A 18 13.312 29.206 10.547 1.00 2.27 H new ATOM 0 HG2 LYS A 18 12.768 31.286 9.204 1.00 3.10 H new ATOM 0 HG3 LYS A 18 13.744 30.120 8.333 1.00 3.10 H new ATOM 0 HD2 LYS A 18 11.339 29.238 7.463 1.00 2.21 H new ATOM 0 HD3 LYS A 18 10.827 30.859 7.889 1.00 2.21 H new ATOM 0 HE2 LYS A 18 13.148 30.165 6.010 1.00 3.51 H new ATOM 0 HE3 LYS A 18 11.580 30.766 5.509 1.00 3.51 H new ATOM 0 HZ1 LYS A 18 12.930 32.671 5.629 1.00 4.69 H new ATOM 0 HZ2 LYS A 18 12.058 32.722 7.085 1.00 4.69 H new ATOM 0 HZ3 LYS A 18 13.670 32.190 7.079 1.00 4.69 H new ATOM 292 N PRO A 19 12.776 26.282 7.366 1.00 0.85 N ATOM 293 CA PRO A 19 13.565 25.860 6.169 1.00 0.51 C ATOM 294 C PRO A 19 14.100 27.019 5.309 1.00 0.42 C ATOM 295 O PRO A 19 13.367 27.914 4.929 1.00 0.52 O ATOM 296 CB PRO A 19 12.701 24.901 5.424 1.00 0.83 C ATOM 297 CG PRO A 19 11.941 24.196 6.585 1.00 0.96 C ATOM 298 CD PRO A 19 11.652 25.334 7.614 1.00 1.12 C ATOM 0 HA PRO A 19 14.493 25.382 6.483 1.00 0.51 H new ATOM 0 HB2 PRO A 19 12.022 25.408 4.739 1.00 0.83 H new ATOM 0 HB3 PRO A 19 13.286 24.198 4.831 1.00 0.83 H new ATOM 0 HG2 PRO A 19 11.018 23.736 6.233 1.00 0.96 H new ATOM 0 HG3 PRO A 19 12.543 23.403 7.029 1.00 0.96 H new ATOM 0 HD2 PRO A 19 10.682 25.800 7.442 1.00 1.12 H new ATOM 0 HD3 PRO A 19 11.651 24.964 8.639 1.00 1.12 H new ATOM 306 N ALA A 20 15.365 26.972 5.019 1.00 0.25 N ATOM 307 CA ALA A 20 16.008 28.034 4.195 1.00 0.21 C ATOM 308 C ALA A 20 15.543 27.953 2.746 1.00 0.24 C ATOM 309 O ALA A 20 15.100 26.923 2.264 1.00 0.23 O ATOM 310 CB ALA A 20 17.542 27.834 4.236 1.00 0.17 C ATOM 0 H ALA A 20 15.995 26.230 5.322 1.00 0.25 H new ATOM 0 HA ALA A 20 15.731 29.008 4.599 1.00 0.21 H new ATOM 0 HB1 ALA A 20 18.026 28.605 3.636 1.00 0.17 H new ATOM 0 HB2 ALA A 20 17.891 27.904 5.266 1.00 0.17 H new ATOM 0 HB3 ALA A 20 17.792 26.852 3.834 1.00 0.17 H new ATOM 316 N ASP A 21 15.673 29.079 2.098 1.00 0.43 N ATOM 317 CA ASP A 21 15.258 29.145 0.681 1.00 0.49 C ATOM 318 C ASP A 21 15.839 27.935 -0.080 1.00 0.36 C ATOM 319 O ASP A 21 15.062 27.118 -0.526 1.00 0.32 O ATOM 320 CB ASP A 21 15.676 30.525 0.144 1.00 0.65 C ATOM 321 CG ASP A 21 14.676 30.983 -0.889 1.00 0.91 C ATOM 322 OD1 ASP A 21 14.619 30.413 -1.964 1.00 1.86 O ATOM 323 OD2 ASP A 21 13.953 31.905 -0.559 1.00 0.86 O ATOM 0 H ASP A 21 16.045 29.944 2.489 1.00 0.43 H new ATOM 0 HA ASP A 21 14.179 29.066 0.546 1.00 0.49 H new ATOM 0 HB2 ASP A 21 15.728 31.245 0.961 1.00 0.65 H new ATOM 0 HB3 ASP A 21 16.672 30.470 -0.296 1.00 0.65 H new ATOM 328 N GLU A 22 17.143 27.820 -0.193 1.00 0.34 N ATOM 329 CA GLU A 22 17.727 26.647 -0.936 1.00 0.23 C ATOM 330 C GLU A 22 17.125 25.305 -0.365 1.00 0.12 C ATOM 331 O GLU A 22 16.472 24.603 -1.112 1.00 0.39 O ATOM 332 CB GLU A 22 19.304 26.696 -0.879 1.00 0.41 C ATOM 333 CG GLU A 22 19.892 27.960 -1.667 1.00 0.45 C ATOM 334 CD GLU A 22 21.429 27.959 -1.875 1.00 1.45 C ATOM 335 OE1 GLU A 22 22.065 27.010 -1.441 1.00 2.26 O ATOM 336 OE2 GLU A 22 21.899 28.922 -2.469 1.00 1.97 O ATOM 0 H GLU A 22 17.823 28.476 0.190 1.00 0.34 H new ATOM 0 HA GLU A 22 17.455 26.695 -1.990 1.00 0.23 H new ATOM 0 HB2 GLU A 22 19.629 26.734 0.161 1.00 0.41 H new ATOM 0 HB3 GLU A 22 19.711 25.780 -1.307 1.00 0.41 H new ATOM 0 HG2 GLU A 22 19.410 28.014 -2.643 1.00 0.45 H new ATOM 0 HG3 GLU A 22 19.616 28.865 -1.125 1.00 0.45 H new ATOM 343 N GLU A 23 17.317 24.924 0.886 1.00 0.34 N ATOM 344 CA GLU A 23 16.714 23.644 1.389 1.00 0.22 C ATOM 345 C GLU A 23 15.265 23.436 0.814 1.00 0.19 C ATOM 346 O GLU A 23 14.936 22.389 0.279 1.00 0.26 O ATOM 347 CB GLU A 23 16.767 23.689 2.926 1.00 0.19 C ATOM 348 CG GLU A 23 18.151 23.162 3.545 1.00 0.61 C ATOM 349 CD GLU A 23 19.145 24.279 3.866 1.00 0.71 C ATOM 350 OE1 GLU A 23 19.326 25.081 2.975 1.00 2.22 O ATOM 351 OE2 GLU A 23 19.653 24.247 4.987 1.00 0.89 O ATOM 0 H GLU A 23 17.863 25.444 1.573 1.00 0.34 H new ATOM 0 HA GLU A 23 17.276 22.776 1.043 1.00 0.22 H new ATOM 0 HB2 GLU A 23 16.600 24.714 3.256 1.00 0.19 H new ATOM 0 HB3 GLU A 23 15.950 23.089 3.326 1.00 0.19 H new ATOM 0 HG2 GLU A 23 17.941 22.601 4.456 1.00 0.61 H new ATOM 0 HG3 GLU A 23 18.612 22.468 2.842 1.00 0.61 H new ATOM 358 N MET A 24 14.428 24.443 0.935 1.00 0.19 N ATOM 359 CA MET A 24 13.025 24.333 0.397 1.00 0.18 C ATOM 360 C MET A 24 13.102 24.168 -1.133 1.00 0.17 C ATOM 361 O MET A 24 12.482 23.281 -1.675 1.00 0.22 O ATOM 362 CB MET A 24 12.213 25.597 0.751 1.00 0.20 C ATOM 363 CG MET A 24 11.929 25.643 2.255 1.00 0.35 C ATOM 364 SD MET A 24 10.535 26.678 2.770 1.00 0.52 S ATOM 365 CE MET A 24 11.381 28.277 2.795 1.00 1.52 C ATOM 0 H MET A 24 14.652 25.333 1.380 1.00 0.19 H new ATOM 0 HA MET A 24 12.526 23.473 0.843 1.00 0.18 H new ATOM 0 HB2 MET A 24 12.765 26.488 0.451 1.00 0.20 H new ATOM 0 HB3 MET A 24 11.275 25.602 0.197 1.00 0.20 H new ATOM 0 HG2 MET A 24 11.748 24.626 2.601 1.00 0.35 H new ATOM 0 HG3 MET A 24 12.826 25.997 2.763 1.00 0.35 H new ATOM 0 HE1 MET A 24 11.273 28.730 3.780 1.00 1.52 H new ATOM 0 HE2 MET A 24 12.439 28.132 2.576 1.00 1.52 H new ATOM 0 HE3 MET A 24 10.941 28.933 2.044 1.00 1.52 H new ATOM 375 N LEU A 25 13.838 25.016 -1.800 1.00 0.16 N ATOM 376 CA LEU A 25 14.016 24.977 -3.269 1.00 0.10 C ATOM 377 C LEU A 25 14.170 23.578 -3.806 1.00 0.09 C ATOM 378 O LEU A 25 13.512 23.180 -4.742 1.00 0.10 O ATOM 379 CB LEU A 25 15.211 25.780 -3.538 1.00 0.11 C ATOM 380 CG LEU A 25 14.929 27.272 -3.348 1.00 0.17 C ATOM 381 CD1 LEU A 25 15.357 27.838 -4.588 1.00 0.18 C ATOM 382 CD2 LEU A 25 13.492 27.693 -3.093 1.00 0.18 C ATOM 0 H LEU A 25 14.350 25.776 -1.351 1.00 0.16 H new ATOM 0 HA LEU A 25 13.131 25.370 -3.770 1.00 0.10 H new ATOM 0 HB2 LEU A 25 16.017 25.472 -2.872 1.00 0.11 H new ATOM 0 HB3 LEU A 25 15.553 25.599 -4.557 1.00 0.11 H new ATOM 0 HG LEU A 25 15.437 27.603 -2.442 1.00 0.17 H new ATOM 0 HD11 LEU A 25 15.201 28.917 -4.569 1.00 0.18 H new ATOM 0 HD12 LEU A 25 16.416 27.627 -4.738 1.00 0.18 H new ATOM 0 HD13 LEU A 25 14.781 27.403 -5.405 1.00 0.18 H new ATOM 0 HD21 LEU A 25 13.445 28.776 -2.978 1.00 0.18 H new ATOM 0 HD22 LEU A 25 12.869 27.390 -3.935 1.00 0.18 H new ATOM 0 HD23 LEU A 25 13.129 27.216 -2.183 1.00 0.18 H new ATOM 394 N PHE A 26 15.071 22.908 -3.151 1.00 0.11 N ATOM 395 CA PHE A 26 15.386 21.502 -3.508 1.00 0.17 C ATOM 396 C PHE A 26 14.058 20.737 -3.557 1.00 0.23 C ATOM 397 O PHE A 26 13.615 20.303 -4.605 1.00 0.26 O ATOM 398 CB PHE A 26 16.322 20.981 -2.429 1.00 0.20 C ATOM 399 CG PHE A 26 16.750 19.610 -2.913 1.00 0.14 C ATOM 400 CD1 PHE A 26 17.845 19.459 -3.740 1.00 1.04 C ATOM 401 CD2 PHE A 26 16.004 18.518 -2.548 1.00 1.10 C ATOM 402 CE1 PHE A 26 18.191 18.212 -4.206 1.00 1.14 C ATOM 403 CE2 PHE A 26 16.346 17.273 -3.015 1.00 1.00 C ATOM 404 CZ PHE A 26 17.436 17.121 -3.840 1.00 0.15 C ATOM 0 H PHE A 26 15.611 23.282 -2.371 1.00 0.11 H new ATOM 0 HA PHE A 26 15.874 21.391 -4.476 1.00 0.17 H new ATOM 0 HB2 PHE A 26 17.181 21.640 -2.299 1.00 0.20 H new ATOM 0 HB3 PHE A 26 15.818 20.920 -1.464 1.00 0.20 H new ATOM 0 HD1 PHE A 26 18.431 20.321 -4.022 1.00 1.04 H new ATOM 0 HD2 PHE A 26 15.151 18.637 -1.896 1.00 1.10 H new ATOM 0 HE1 PHE A 26 19.047 18.090 -4.853 1.00 1.14 H new ATOM 0 HE2 PHE A 26 15.758 16.412 -2.734 1.00 1.00 H new ATOM 0 HZ PHE A 26 17.701 16.139 -4.203 1.00 0.15 H new ATOM 414 N ILE A 27 13.481 20.617 -2.401 1.00 0.25 N ATOM 415 CA ILE A 27 12.176 19.923 -2.223 1.00 0.31 C ATOM 416 C ILE A 27 11.163 20.428 -3.284 1.00 0.37 C ATOM 417 O ILE A 27 10.599 19.667 -4.033 1.00 0.52 O ATOM 418 CB ILE A 27 11.800 20.335 -0.790 1.00 0.25 C ATOM 419 CG1 ILE A 27 12.169 19.283 0.305 1.00 0.22 C ATOM 420 CG2 ILE A 27 10.303 20.651 -0.627 1.00 0.26 C ATOM 421 CD1 ILE A 27 13.573 18.620 0.179 1.00 0.21 C ATOM 0 H ILE A 27 13.875 20.986 -1.535 1.00 0.25 H new ATOM 0 HA ILE A 27 12.197 18.841 -2.354 1.00 0.31 H new ATOM 0 HB ILE A 27 12.400 21.232 -0.637 1.00 0.25 H new ATOM 0 HG12 ILE A 27 12.105 19.767 1.280 1.00 0.22 H new ATOM 0 HG13 ILE A 27 11.416 18.495 0.290 1.00 0.22 H new ATOM 0 HG21 ILE A 27 10.101 20.935 0.406 1.00 0.26 H new ATOM 0 HG22 ILE A 27 10.030 21.473 -1.289 1.00 0.26 H new ATOM 0 HG23 ILE A 27 9.715 19.769 -0.882 1.00 0.26 H new ATOM 0 HD11 ILE A 27 13.714 17.910 0.994 1.00 0.21 H new ATOM 0 HD12 ILE A 27 13.644 18.097 -0.775 1.00 0.21 H new ATOM 0 HD13 ILE A 27 14.344 19.389 0.230 1.00 0.21 H new ATOM 433 N TYR A 28 10.945 21.711 -3.331 1.00 0.33 N ATOM 434 CA TYR A 28 9.984 22.310 -4.318 1.00 0.35 C ATOM 435 C TYR A 28 10.236 21.882 -5.760 1.00 0.27 C ATOM 436 O TYR A 28 9.396 21.312 -6.421 1.00 0.32 O ATOM 437 CB TYR A 28 10.190 23.839 -4.301 1.00 0.41 C ATOM 438 CG TYR A 28 9.433 24.556 -5.441 1.00 0.48 C ATOM 439 CD1 TYR A 28 8.055 24.646 -5.425 1.00 1.09 C ATOM 440 CD2 TYR A 28 10.132 25.143 -6.483 1.00 1.68 C ATOM 441 CE1 TYR A 28 7.374 25.324 -6.433 1.00 0.98 C ATOM 442 CE2 TYR A 28 9.431 25.817 -7.483 1.00 1.81 C ATOM 443 CZ TYR A 28 8.067 25.915 -7.467 1.00 0.71 C ATOM 444 OH TYR A 28 7.438 26.609 -8.486 1.00 0.88 O ATOM 0 H TYR A 28 11.398 22.389 -2.718 1.00 0.33 H new ATOM 0 HA TYR A 28 8.988 21.979 -4.024 1.00 0.35 H new ATOM 0 HB2 TYR A 28 9.855 24.236 -3.343 1.00 0.41 H new ATOM 0 HB3 TYR A 28 11.254 24.059 -4.383 1.00 0.41 H new ATOM 0 HD1 TYR A 28 7.499 24.185 -4.622 1.00 1.09 H new ATOM 0 HD2 TYR A 28 11.209 25.079 -6.521 1.00 1.68 H new ATOM 0 HE1 TYR A 28 6.296 25.387 -6.404 1.00 0.98 H new ATOM 0 HE2 TYR A 28 9.981 26.274 -8.292 1.00 1.81 H new ATOM 0 HH TYR A 28 7.050 25.974 -9.124 1.00 0.88 H new ATOM 454 N SER A 29 11.424 22.184 -6.179 1.00 0.16 N ATOM 455 CA SER A 29 11.892 21.888 -7.544 1.00 0.10 C ATOM 456 C SER A 29 11.661 20.413 -7.894 1.00 0.12 C ATOM 457 O SER A 29 10.884 20.059 -8.763 1.00 0.21 O ATOM 458 CB SER A 29 13.373 22.328 -7.571 1.00 0.12 C ATOM 459 OG SER A 29 14.102 21.350 -6.852 1.00 0.17 O ATOM 0 H SER A 29 12.121 22.648 -5.597 1.00 0.16 H new ATOM 0 HA SER A 29 11.338 22.426 -8.313 1.00 0.10 H new ATOM 0 HB2 SER A 29 13.735 22.404 -8.596 1.00 0.12 H new ATOM 0 HB3 SER A 29 13.493 23.311 -7.117 1.00 0.12 H new ATOM 0 HG SER A 29 13.792 21.328 -5.923 1.00 0.17 H new ATOM 465 N HIS A 30 12.352 19.577 -7.178 1.00 0.08 N ATOM 466 CA HIS A 30 12.236 18.133 -7.395 1.00 0.13 C ATOM 467 C HIS A 30 10.820 17.669 -7.144 1.00 0.16 C ATOM 468 O HIS A 30 10.331 16.903 -7.931 1.00 0.22 O ATOM 469 CB HIS A 30 13.266 17.493 -6.500 1.00 0.11 C ATOM 470 CG HIS A 30 14.568 17.482 -7.282 1.00 0.47 C ATOM 471 ND1 HIS A 30 14.762 16.825 -8.382 1.00 1.77 N ATOM 472 CD2 HIS A 30 15.762 18.119 -7.029 1.00 0.66 C ATOM 473 CE1 HIS A 30 15.978 17.034 -8.786 1.00 1.66 C ATOM 474 NE2 HIS A 30 16.633 17.831 -7.977 1.00 0.49 N ATOM 0 H HIS A 30 13.002 19.849 -6.440 1.00 0.08 H new ATOM 0 HA HIS A 30 12.434 17.844 -8.427 1.00 0.13 H new ATOM 0 HB2 HIS A 30 13.376 18.054 -5.572 1.00 0.11 H new ATOM 0 HB3 HIS A 30 12.968 16.480 -6.228 1.00 0.11 H new ATOM 0 HD2 HIS A 30 15.957 18.759 -6.181 1.00 0.66 H new ATOM 0 HE1 HIS A 30 16.400 16.603 -9.682 1.00 1.66 H new ATOM 0 HE2 HIS A 30 17.597 18.155 -8.061 1.00 0.49 H new ATOM 482 N TYR A 31 10.172 18.119 -6.109 1.00 0.20 N ATOM 483 CA TYR A 31 8.775 17.663 -5.852 1.00 0.18 C ATOM 484 C TYR A 31 7.955 17.983 -7.079 1.00 0.23 C ATOM 485 O TYR A 31 7.481 17.124 -7.796 1.00 0.23 O ATOM 486 CB TYR A 31 8.070 18.477 -4.717 1.00 0.17 C ATOM 487 CG TYR A 31 6.720 17.843 -4.398 1.00 0.15 C ATOM 488 CD1 TYR A 31 6.661 16.769 -3.522 1.00 1.55 C ATOM 489 CD2 TYR A 31 5.556 18.326 -4.982 1.00 1.60 C ATOM 490 CE1 TYR A 31 5.445 16.187 -3.240 1.00 1.55 C ATOM 491 CE2 TYR A 31 4.344 17.730 -4.678 1.00 1.57 C ATOM 492 CZ TYR A 31 4.293 16.661 -3.810 1.00 0.08 C ATOM 493 OH TYR A 31 3.093 16.052 -3.518 1.00 0.05 O ATOM 0 H TYR A 31 10.546 18.782 -5.429 1.00 0.20 H new ATOM 0 HA TYR A 31 8.833 16.607 -5.588 1.00 0.18 H new ATOM 0 HB2 TYR A 31 8.696 18.493 -3.825 1.00 0.17 H new ATOM 0 HB3 TYR A 31 7.933 19.512 -5.029 1.00 0.17 H new ATOM 0 HD1 TYR A 31 7.563 16.391 -3.064 1.00 1.55 H new ATOM 0 HD2 TYR A 31 5.596 19.160 -5.668 1.00 1.60 H new ATOM 0 HE1 TYR A 31 5.399 15.348 -2.562 1.00 1.55 H new ATOM 0 HE2 TYR A 31 3.434 18.105 -5.123 1.00 1.57 H new ATOM 0 HH TYR A 31 3.252 15.116 -3.275 1.00 0.05 H new ATOM 503 N LYS A 32 7.818 19.262 -7.281 1.00 0.28 N ATOM 504 CA LYS A 32 7.047 19.776 -8.424 1.00 0.34 C ATOM 505 C LYS A 32 7.359 18.985 -9.679 1.00 0.40 C ATOM 506 O LYS A 32 6.459 18.601 -10.392 1.00 0.44 O ATOM 507 CB LYS A 32 7.322 21.230 -8.409 1.00 0.33 C ATOM 508 CG LYS A 32 6.825 21.906 -7.074 1.00 0.33 C ATOM 509 CD LYS A 32 5.306 21.796 -6.846 1.00 0.41 C ATOM 510 CE LYS A 32 4.620 22.588 -7.872 1.00 0.16 C ATOM 511 NZ LYS A 32 3.153 22.528 -7.609 1.00 0.38 N ATOM 0 H LYS A 32 8.221 19.983 -6.682 1.00 0.28 H new ATOM 0 HA LYS A 32 5.966 19.644 -8.376 1.00 0.34 H new ATOM 0 HB2 LYS A 32 8.393 21.399 -8.525 1.00 0.33 H new ATOM 0 HB3 LYS A 32 6.831 21.702 -9.260 1.00 0.33 H new ATOM 0 HG2 LYS A 32 7.343 21.448 -6.232 1.00 0.33 H new ATOM 0 HG3 LYS A 32 7.105 22.959 -7.086 1.00 0.33 H new ATOM 0 HD2 LYS A 32 4.990 20.754 -6.898 1.00 0.41 H new ATOM 0 HD3 LYS A 32 5.046 22.158 -5.852 1.00 0.41 H new ATOM 0 HE2 LYS A 32 4.968 23.621 -7.849 1.00 0.16 H new ATOM 0 HE3 LYS A 32 4.844 22.198 -8.865 1.00 0.16 H new ATOM 0 HZ1 LYS A 32 2.648 23.085 -8.328 1.00 0.38 H new ATOM 0 HZ2 LYS A 32 2.833 21.539 -7.650 1.00 0.38 H new ATOM 0 HZ3 LYS A 32 2.953 22.918 -6.666 1.00 0.38 H new ATOM 525 N GLN A 33 8.606 18.728 -9.944 1.00 0.38 N ATOM 526 CA GLN A 33 8.963 17.967 -11.130 1.00 0.44 C ATOM 527 C GLN A 33 8.585 16.457 -11.027 1.00 0.27 C ATOM 528 O GLN A 33 7.995 15.894 -11.926 1.00 0.20 O ATOM 529 CB GLN A 33 10.423 18.319 -11.190 1.00 0.80 C ATOM 530 CG GLN A 33 11.150 17.325 -11.931 1.00 1.14 C ATOM 531 CD GLN A 33 10.517 17.111 -13.321 1.00 1.34 C ATOM 532 OE1 GLN A 33 9.971 16.079 -13.643 1.00 2.67 O ATOM 533 NE2 GLN A 33 10.556 18.101 -14.161 1.00 0.25 N ATOM 0 H GLN A 33 9.394 19.026 -9.369 1.00 0.38 H new ATOM 0 HA GLN A 33 8.433 18.198 -12.054 1.00 0.44 H new ATOM 0 HB2 GLN A 33 10.549 19.295 -11.659 1.00 0.80 H new ATOM 0 HB3 GLN A 33 10.826 18.396 -10.180 1.00 0.80 H new ATOM 0 HG2 GLN A 33 12.189 17.635 -12.043 1.00 1.14 H new ATOM 0 HG3 GLN A 33 11.155 16.385 -11.380 1.00 1.14 H new ATOM 0 HE21 GLN A 33 11.013 18.974 -13.899 1.00 0.25 H new ATOM 0 HE22 GLN A 33 10.129 18.005 -15.082 1.00 0.25 H new ATOM 542 N ALA A 34 8.923 15.849 -9.934 1.00 0.23 N ATOM 543 CA ALA A 34 8.647 14.410 -9.654 1.00 0.14 C ATOM 544 C ALA A 34 7.164 14.064 -9.730 1.00 0.09 C ATOM 545 O ALA A 34 6.790 12.965 -10.083 1.00 0.17 O ATOM 546 CB ALA A 34 9.030 14.206 -8.186 1.00 0.12 C ATOM 0 H ALA A 34 9.411 16.319 -9.172 1.00 0.23 H new ATOM 0 HA ALA A 34 9.187 13.802 -10.380 1.00 0.14 H new ATOM 0 HB1 ALA A 34 8.854 13.168 -7.905 1.00 0.12 H new ATOM 0 HB2 ALA A 34 10.084 14.446 -8.048 1.00 0.12 H new ATOM 0 HB3 ALA A 34 8.425 14.859 -7.558 1.00 0.12 H new ATOM 552 N THR A 35 6.391 15.055 -9.379 1.00 0.04 N ATOM 553 CA THR A 35 4.883 14.944 -9.360 1.00 0.09 C ATOM 554 C THR A 35 4.149 15.465 -10.583 1.00 0.23 C ATOM 555 O THR A 35 3.398 14.762 -11.221 1.00 0.30 O ATOM 556 CB THR A 35 4.396 15.766 -8.152 1.00 0.11 C ATOM 557 OG1 THR A 35 4.849 17.091 -8.370 1.00 0.27 O ATOM 558 CG2 THR A 35 5.167 15.368 -6.920 1.00 0.09 C ATOM 0 H THR A 35 6.743 15.969 -9.094 1.00 0.04 H new ATOM 0 HA THR A 35 4.661 13.877 -9.322 1.00 0.09 H new ATOM 0 HB THR A 35 3.320 15.637 -8.039 1.00 0.11 H new ATOM 0 HG1 THR A 35 5.720 17.214 -7.938 1.00 0.27 H new ATOM 0 HG21 THR A 35 4.819 15.952 -6.068 1.00 0.09 H new ATOM 0 HG22 THR A 35 5.012 14.308 -6.720 1.00 0.09 H new ATOM 0 HG23 THR A 35 6.229 15.556 -7.079 1.00 0.09 H new ATOM 566 N VAL A 36 4.398 16.701 -10.860 1.00 0.25 N ATOM 567 CA VAL A 36 3.785 17.420 -12.027 1.00 0.38 C ATOM 568 C VAL A 36 4.720 17.211 -13.221 1.00 0.40 C ATOM 569 O VAL A 36 4.425 16.582 -14.221 1.00 0.79 O ATOM 570 CB VAL A 36 3.779 18.957 -11.639 1.00 0.42 C ATOM 571 CG1 VAL A 36 3.222 19.869 -12.715 1.00 0.47 C ATOM 572 CG2 VAL A 36 3.080 19.211 -10.320 1.00 0.59 C ATOM 0 H VAL A 36 5.029 17.281 -10.307 1.00 0.25 H new ATOM 0 HA VAL A 36 2.781 17.070 -12.266 1.00 0.38 H new ATOM 0 HB VAL A 36 4.833 19.213 -11.533 1.00 0.42 H new ATOM 0 HG11 VAL A 36 3.254 20.902 -12.369 1.00 0.47 H new ATOM 0 HG12 VAL A 36 3.821 19.771 -13.621 1.00 0.47 H new ATOM 0 HG13 VAL A 36 2.190 19.590 -12.930 1.00 0.47 H new ATOM 0 HG21 VAL A 36 3.101 20.278 -10.096 1.00 0.59 H new ATOM 0 HG22 VAL A 36 2.045 18.875 -10.386 1.00 0.59 H new ATOM 0 HG23 VAL A 36 3.590 18.664 -9.527 1.00 0.59 H new ATOM 582 N GLY A 37 5.880 17.759 -13.028 1.00 0.17 N ATOM 583 CA GLY A 37 6.964 17.692 -14.065 1.00 0.30 C ATOM 584 C GLY A 37 7.657 18.987 -14.449 1.00 0.26 C ATOM 585 O GLY A 37 8.445 19.546 -13.709 1.00 0.64 O ATOM 0 H GLY A 37 6.138 18.264 -12.180 1.00 0.17 H new ATOM 0 HA2 GLY A 37 7.725 16.997 -13.710 1.00 0.30 H new ATOM 0 HA3 GLY A 37 6.536 17.260 -14.970 1.00 0.30 H new ATOM 589 N ASP A 38 7.326 19.454 -15.612 1.00 0.44 N ATOM 590 CA ASP A 38 7.934 20.684 -16.121 1.00 0.54 C ATOM 591 C ASP A 38 7.231 22.021 -15.773 1.00 0.58 C ATOM 592 O ASP A 38 6.213 22.395 -16.318 1.00 0.78 O ATOM 593 CB ASP A 38 8.056 20.327 -17.620 1.00 0.39 C ATOM 594 CG ASP A 38 9.101 19.204 -17.864 1.00 0.31 C ATOM 595 OD1 ASP A 38 9.500 18.530 -16.921 1.00 1.39 O ATOM 596 OD2 ASP A 38 9.442 19.104 -19.023 1.00 1.30 O ATOM 0 H ASP A 38 6.646 19.020 -16.236 1.00 0.44 H new ATOM 0 HA ASP A 38 8.882 20.935 -15.644 1.00 0.54 H new ATOM 0 HB2 ASP A 38 7.085 20.007 -17.997 1.00 0.39 H new ATOM 0 HB3 ASP A 38 8.340 21.216 -18.183 1.00 0.39 H new ATOM 601 N ILE A 39 7.866 22.683 -14.831 1.00 0.55 N ATOM 602 CA ILE A 39 7.440 24.013 -14.272 1.00 0.53 C ATOM 603 C ILE A 39 6.361 24.765 -15.065 1.00 0.64 C ATOM 604 O ILE A 39 6.583 25.457 -16.034 1.00 0.63 O ATOM 605 CB ILE A 39 8.679 24.776 -13.912 1.00 0.40 C ATOM 606 CG1 ILE A 39 8.209 25.883 -12.972 1.00 0.34 C ATOM 607 CG2 ILE A 39 9.492 25.305 -15.115 1.00 0.39 C ATOM 608 CD1 ILE A 39 9.440 26.394 -12.339 1.00 0.14 C ATOM 0 H ILE A 39 8.720 22.329 -14.400 1.00 0.55 H new ATOM 0 HA ILE A 39 6.866 23.852 -13.359 1.00 0.53 H new ATOM 0 HB ILE A 39 9.401 24.113 -13.434 1.00 0.40 H new ATOM 0 HG12 ILE A 39 7.690 26.671 -13.518 1.00 0.34 H new ATOM 0 HG13 ILE A 39 7.512 25.499 -12.227 1.00 0.34 H new ATOM 0 HG21 ILE A 39 10.369 25.843 -14.754 1.00 0.39 H new ATOM 0 HG22 ILE A 39 9.810 24.467 -15.735 1.00 0.39 H new ATOM 0 HG23 ILE A 39 8.871 25.979 -15.706 1.00 0.39 H new ATOM 0 HD11 ILE A 39 9.187 27.196 -11.646 1.00 0.14 H new ATOM 0 HD12 ILE A 39 9.932 25.587 -11.796 1.00 0.14 H new ATOM 0 HD13 ILE A 39 10.112 26.777 -13.107 1.00 0.14 H new ATOM 620 N ASN A 40 5.182 24.558 -14.554 1.00 0.74 N ATOM 621 CA ASN A 40 3.915 25.125 -15.087 1.00 0.90 C ATOM 622 C ASN A 40 3.208 26.090 -14.109 1.00 0.98 C ATOM 623 O ASN A 40 2.009 26.050 -13.913 1.00 1.11 O ATOM 624 CB ASN A 40 3.049 23.887 -15.370 1.00 0.82 C ATOM 625 CG ASN A 40 2.878 23.138 -14.067 1.00 1.85 C ATOM 626 OD1 ASN A 40 3.805 22.606 -13.500 1.00 2.26 O ATOM 627 ND2 ASN A 40 1.706 23.072 -13.532 1.00 2.87 N ATOM 0 H ASN A 40 5.040 23.976 -13.729 1.00 0.74 H new ATOM 0 HA ASN A 40 4.099 25.739 -15.969 1.00 0.90 H new ATOM 0 HB2 ASN A 40 2.080 24.182 -15.772 1.00 0.82 H new ATOM 0 HB3 ASN A 40 3.523 23.251 -16.117 1.00 0.82 H new ATOM 0 HD21 ASN A 40 1.576 22.579 -12.649 1.00 2.87 H new ATOM 0 HD22 ASN A 40 0.910 23.513 -13.992 1.00 2.87 H new ATOM 634 N THR A 41 4.043 26.896 -13.524 1.00 0.93 N ATOM 635 CA THR A 41 3.611 27.956 -12.539 1.00 1.00 C ATOM 636 C THR A 41 3.955 29.206 -13.355 1.00 0.99 C ATOM 637 O THR A 41 3.103 29.819 -13.958 1.00 1.79 O ATOM 638 CB THR A 41 4.410 27.901 -11.173 1.00 0.95 C ATOM 639 OG1 THR A 41 5.807 27.765 -11.425 1.00 0.86 O ATOM 640 CG2 THR A 41 4.207 26.602 -10.496 1.00 0.91 C ATOM 0 H THR A 41 5.050 26.872 -13.687 1.00 0.93 H new ATOM 0 HA THR A 41 2.575 27.875 -12.210 1.00 1.00 H new ATOM 0 HB THR A 41 4.091 28.787 -10.624 1.00 0.95 H new ATOM 0 HG1 THR A 41 6.291 27.734 -10.574 1.00 0.86 H new ATOM 0 HG21 THR A 41 4.766 26.588 -9.560 1.00 0.91 H new ATOM 0 HG22 THR A 41 3.146 26.462 -10.288 1.00 0.91 H new ATOM 0 HG23 THR A 41 4.559 25.797 -11.141 1.00 0.91 H new ATOM 648 N GLU A 42 5.224 29.476 -13.310 1.00 0.33 N ATOM 649 CA GLU A 42 5.986 30.576 -13.965 1.00 0.24 C ATOM 650 C GLU A 42 6.957 31.277 -13.023 1.00 0.31 C ATOM 651 O GLU A 42 6.831 31.258 -11.814 1.00 0.38 O ATOM 652 CB GLU A 42 5.118 31.643 -14.477 1.00 0.33 C ATOM 653 CG GLU A 42 4.561 32.396 -13.278 1.00 1.38 C ATOM 654 CD GLU A 42 3.398 33.317 -13.628 1.00 1.54 C ATOM 655 OE1 GLU A 42 3.665 34.256 -14.358 1.00 1.88 O ATOM 656 OE2 GLU A 42 2.323 33.019 -13.140 1.00 1.74 O ATOM 0 H GLU A 42 5.849 28.885 -12.761 1.00 0.33 H new ATOM 0 HA GLU A 42 6.515 30.066 -14.770 1.00 0.24 H new ATOM 0 HB2 GLU A 42 5.680 32.316 -15.125 1.00 0.33 H new ATOM 0 HB3 GLU A 42 4.309 31.225 -15.076 1.00 0.33 H new ATOM 0 HG2 GLU A 42 4.232 31.677 -12.528 1.00 1.38 H new ATOM 0 HG3 GLU A 42 5.359 32.986 -12.826 1.00 1.38 H new ATOM 663 N ARG A 43 7.873 31.890 -13.698 1.00 0.33 N ATOM 664 CA ARG A 43 8.978 32.658 -13.076 1.00 0.37 C ATOM 665 C ARG A 43 8.722 34.092 -12.509 1.00 0.58 C ATOM 666 O ARG A 43 8.619 35.015 -13.291 1.00 0.78 O ATOM 667 CB ARG A 43 9.996 32.730 -14.212 1.00 0.31 C ATOM 668 CG ARG A 43 11.333 33.084 -13.584 1.00 0.31 C ATOM 669 CD ARG A 43 12.384 33.141 -14.661 1.00 0.29 C ATOM 670 NE ARG A 43 13.677 33.039 -13.913 1.00 0.47 N ATOM 671 CZ ARG A 43 14.689 33.803 -14.037 1.00 0.64 C ATOM 672 NH1 ARG A 43 14.549 35.047 -14.247 1.00 0.68 N ATOM 673 NH2 ARG A 43 15.805 33.210 -13.921 1.00 1.61 N ATOM 0 H ARG A 43 7.903 31.890 -14.718 1.00 0.33 H new ATOM 0 HA ARG A 43 9.257 32.145 -12.156 1.00 0.37 H new ATOM 0 HB2 ARG A 43 10.056 31.777 -14.737 1.00 0.31 H new ATOM 0 HB3 ARG A 43 9.703 33.481 -14.946 1.00 0.31 H new ATOM 0 HG2 ARG A 43 11.266 34.044 -13.073 1.00 0.31 H new ATOM 0 HG3 ARG A 43 11.604 32.342 -12.833 1.00 0.31 H new ATOM 0 HD2 ARG A 43 12.270 32.324 -15.373 1.00 0.29 H new ATOM 0 HD3 ARG A 43 12.324 34.070 -15.229 1.00 0.29 H new ATOM 0 HE ARG A 43 13.756 32.281 -13.235 1.00 0.47 H new ATOM 0 HH11 ARG A 43 13.615 35.450 -14.319 1.00 0.68 H new ATOM 0 HH12 ARG A 43 15.371 35.644 -14.344 1.00 0.68 H new ATOM 0 HH21 ARG A 43 15.833 32.206 -13.744 1.00 1.61 H new ATOM 0 HH22 ARG A 43 16.674 33.738 -14.005 1.00 1.61 H new ATOM 687 N PRO A 44 8.624 34.214 -11.190 1.00 0.55 N ATOM 688 CA PRO A 44 8.391 35.504 -10.442 1.00 0.76 C ATOM 689 C PRO A 44 9.096 36.822 -10.882 1.00 1.17 C ATOM 690 O PRO A 44 9.833 36.900 -11.847 1.00 0.96 O ATOM 691 CB PRO A 44 8.826 35.129 -9.010 1.00 0.85 C ATOM 692 CG PRO A 44 8.328 33.686 -8.896 1.00 0.62 C ATOM 693 CD PRO A 44 8.717 33.068 -10.236 1.00 0.38 C ATOM 0 HA PRO A 44 7.356 35.797 -10.617 1.00 0.76 H new ATOM 0 HB2 PRO A 44 9.906 35.200 -8.880 1.00 0.85 H new ATOM 0 HB3 PRO A 44 8.371 35.778 -8.262 1.00 0.85 H new ATOM 0 HG2 PRO A 44 8.797 33.164 -8.062 1.00 0.62 H new ATOM 0 HG3 PRO A 44 7.251 33.645 -8.732 1.00 0.62 H new ATOM 0 HD2 PRO A 44 9.723 32.650 -10.208 1.00 0.38 H new ATOM 0 HD3 PRO A 44 8.043 32.258 -10.515 1.00 0.38 H new ATOM 701 N GLY A 45 8.855 37.864 -10.122 1.00 1.79 N ATOM 702 CA GLY A 45 9.453 39.215 -10.427 1.00 2.27 C ATOM 703 C GLY A 45 10.963 39.217 -10.683 1.00 2.94 C ATOM 704 O GLY A 45 11.689 38.412 -10.131 1.00 3.66 O ATOM 0 H GLY A 45 8.263 37.841 -9.292 1.00 1.79 H new ATOM 0 HA2 GLY A 45 8.952 39.627 -11.303 1.00 2.27 H new ATOM 0 HA3 GLY A 45 9.241 39.885 -9.594 1.00 2.27 H new ATOM 708 N MET A 46 11.390 40.128 -11.527 1.00 3.74 N ATOM 709 CA MET A 46 12.850 40.265 -11.881 1.00 5.31 C ATOM 710 C MET A 46 13.846 39.888 -10.757 1.00 5.50 C ATOM 711 O MET A 46 14.705 39.046 -10.931 1.00 5.81 O ATOM 712 CB MET A 46 13.089 41.704 -12.382 1.00 6.72 C ATOM 713 CG MET A 46 12.355 41.887 -13.727 1.00 6.81 C ATOM 714 SD MET A 46 12.765 40.700 -15.032 1.00 7.96 S ATOM 715 CE MET A 46 11.298 39.643 -14.923 1.00 7.30 C ATOM 0 H MET A 46 10.780 40.797 -11.997 1.00 3.74 H new ATOM 0 HA MET A 46 13.058 39.531 -12.660 1.00 5.31 H new ATOM 0 HB2 MET A 46 12.723 42.425 -11.651 1.00 6.72 H new ATOM 0 HB3 MET A 46 14.156 41.889 -12.505 1.00 6.72 H new ATOM 0 HG2 MET A 46 11.282 41.835 -13.541 1.00 6.81 H new ATOM 0 HG3 MET A 46 12.566 42.890 -14.098 1.00 6.81 H new ATOM 0 HE1 MET A 46 11.500 38.808 -14.252 1.00 7.30 H new ATOM 0 HE2 MET A 46 10.459 40.223 -14.538 1.00 7.30 H new ATOM 0 HE3 MET A 46 11.050 39.261 -15.913 1.00 7.30 H new ATOM 725 N LEU A 47 13.704 40.517 -9.627 1.00 5.42 N ATOM 726 CA LEU A 47 14.618 40.224 -8.473 1.00 5.56 C ATOM 727 C LEU A 47 13.977 39.132 -7.593 1.00 4.46 C ATOM 728 O LEU A 47 14.597 38.126 -7.328 1.00 5.10 O ATOM 729 CB LEU A 47 14.825 41.538 -7.667 1.00 6.26 C ATOM 730 CG LEU A 47 15.694 42.551 -8.445 1.00 7.17 C ATOM 731 CD1 LEU A 47 15.577 43.906 -7.738 1.00 7.28 C ATOM 732 CD2 LEU A 47 17.185 42.147 -8.363 1.00 8.21 C ATOM 0 H LEU A 47 12.994 41.226 -9.445 1.00 5.42 H new ATOM 0 HA LEU A 47 15.586 39.864 -8.821 1.00 5.56 H new ATOM 0 HB2 LEU A 47 13.856 41.985 -7.443 1.00 6.26 H new ATOM 0 HB3 LEU A 47 15.298 41.309 -6.712 1.00 6.26 H new ATOM 0 HG LEU A 47 15.363 42.585 -9.483 1.00 7.17 H new ATOM 0 HD11 LEU A 47 16.181 44.645 -8.265 1.00 7.28 H new ATOM 0 HD12 LEU A 47 14.535 44.226 -7.734 1.00 7.28 H new ATOM 0 HD13 LEU A 47 15.932 43.813 -6.712 1.00 7.28 H new ATOM 0 HD21 LEU A 47 17.788 42.868 -8.915 1.00 8.21 H new ATOM 0 HD22 LEU A 47 17.501 42.132 -7.320 1.00 8.21 H new ATOM 0 HD23 LEU A 47 17.318 41.156 -8.796 1.00 8.21 H new ATOM 744 N ASP A 48 12.765 39.388 -7.191 1.00 2.97 N ATOM 745 CA ASP A 48 11.887 38.531 -6.336 1.00 1.75 C ATOM 746 C ASP A 48 12.415 37.132 -5.890 1.00 1.41 C ATOM 747 O ASP A 48 11.797 36.090 -6.051 1.00 1.25 O ATOM 748 CB ASP A 48 10.649 38.430 -7.224 1.00 0.87 C ATOM 749 CG ASP A 48 9.377 38.136 -6.449 1.00 1.41 C ATOM 750 OD1 ASP A 48 9.383 38.084 -5.223 1.00 2.81 O ATOM 751 OD2 ASP A 48 8.448 37.997 -7.231 1.00 1.31 O ATOM 0 H ASP A 48 12.300 40.257 -7.453 1.00 2.97 H new ATOM 0 HA ASP A 48 11.756 38.974 -5.349 1.00 1.75 H new ATOM 0 HB2 ASP A 48 10.525 39.365 -7.771 1.00 0.87 H new ATOM 0 HB3 ASP A 48 10.805 37.646 -7.965 1.00 0.87 H new ATOM 756 N PHE A 49 13.597 37.182 -5.329 1.00 2.11 N ATOM 757 CA PHE A 49 14.350 35.998 -4.799 1.00 2.40 C ATOM 758 C PHE A 49 13.405 34.915 -4.246 1.00 1.86 C ATOM 759 O PHE A 49 13.279 33.821 -4.759 1.00 1.91 O ATOM 760 CB PHE A 49 15.346 36.521 -3.715 1.00 3.07 C ATOM 761 CG PHE A 49 16.372 37.523 -4.300 1.00 4.10 C ATOM 762 CD1 PHE A 49 16.043 38.851 -4.525 1.00 3.60 C ATOM 763 CD2 PHE A 49 17.654 37.100 -4.609 1.00 5.80 C ATOM 764 CE1 PHE A 49 16.973 39.730 -5.047 1.00 4.84 C ATOM 765 CE2 PHE A 49 18.586 37.983 -5.133 1.00 6.89 C ATOM 766 CZ PHE A 49 18.245 39.300 -5.352 1.00 6.42 C ATOM 0 H PHE A 49 14.105 38.059 -5.209 1.00 2.11 H new ATOM 0 HA PHE A 49 14.901 35.513 -5.605 1.00 2.40 H new ATOM 0 HB2 PHE A 49 14.787 37.002 -2.912 1.00 3.07 H new ATOM 0 HB3 PHE A 49 15.876 35.677 -3.273 1.00 3.07 H new ATOM 0 HD1 PHE A 49 15.049 39.202 -4.290 1.00 3.60 H new ATOM 0 HD2 PHE A 49 17.931 36.070 -4.440 1.00 5.80 H new ATOM 0 HE1 PHE A 49 16.700 40.761 -5.217 1.00 4.84 H new ATOM 0 HE2 PHE A 49 19.581 37.638 -5.370 1.00 6.89 H new ATOM 0 HZ PHE A 49 18.970 39.989 -5.760 1.00 6.42 H new ATOM 776 N LYS A 50 12.772 35.326 -3.188 1.00 1.54 N ATOM 777 CA LYS A 50 11.791 34.507 -2.435 1.00 1.13 C ATOM 778 C LYS A 50 10.839 33.626 -3.284 1.00 0.78 C ATOM 779 O LYS A 50 10.285 32.705 -2.707 1.00 0.89 O ATOM 780 CB LYS A 50 11.005 35.508 -1.557 1.00 0.76 C ATOM 781 CG LYS A 50 10.320 34.767 -0.394 1.00 2.44 C ATOM 782 CD LYS A 50 9.535 35.817 0.413 1.00 2.79 C ATOM 783 CE LYS A 50 8.895 35.205 1.651 1.00 4.11 C ATOM 784 NZ LYS A 50 8.060 36.282 2.250 1.00 5.03 N ATOM 0 H LYS A 50 12.906 36.257 -2.793 1.00 1.54 H new ATOM 0 HA LYS A 50 12.337 33.760 -1.858 1.00 1.13 H new ATOM 0 HB2 LYS A 50 11.680 36.269 -1.166 1.00 0.76 H new ATOM 0 HB3 LYS A 50 10.258 36.024 -2.160 1.00 0.76 H new ATOM 0 HG2 LYS A 50 9.652 33.993 -0.771 1.00 2.44 H new ATOM 0 HG3 LYS A 50 11.059 34.271 0.235 1.00 2.44 H new ATOM 0 HD2 LYS A 50 10.204 36.624 0.710 1.00 2.79 H new ATOM 0 HD3 LYS A 50 8.763 36.258 -0.217 1.00 2.79 H new ATOM 0 HE2 LYS A 50 8.287 34.339 1.389 1.00 4.11 H new ATOM 0 HE3 LYS A 50 9.654 34.861 2.354 1.00 4.11 H new ATOM 0 HZ1 LYS A 50 7.592 35.923 3.107 1.00 5.03 H new ATOM 0 HZ2 LYS A 50 8.664 37.092 2.499 1.00 5.03 H new ATOM 0 HZ3 LYS A 50 7.340 36.585 1.564 1.00 5.03 H new ATOM 798 N GLY A 51 10.665 33.896 -4.570 1.00 0.53 N ATOM 799 CA GLY A 51 9.741 33.057 -5.417 1.00 0.51 C ATOM 800 C GLY A 51 10.520 32.550 -6.621 1.00 0.52 C ATOM 801 O GLY A 51 10.562 31.383 -6.970 1.00 0.77 O ATOM 0 H GLY A 51 11.124 34.661 -5.065 1.00 0.53 H new ATOM 0 HA2 GLY A 51 9.351 32.220 -4.838 1.00 0.51 H new ATOM 0 HA3 GLY A 51 8.884 33.647 -5.741 1.00 0.51 H new ATOM 805 N LYS A 52 11.137 33.499 -7.241 1.00 0.41 N ATOM 806 CA LYS A 52 11.946 33.197 -8.432 1.00 0.44 C ATOM 807 C LYS A 52 12.946 32.128 -8.100 1.00 0.54 C ATOM 808 O LYS A 52 13.282 31.357 -8.951 1.00 0.88 O ATOM 809 CB LYS A 52 12.533 34.510 -8.828 1.00 0.46 C ATOM 810 CG LYS A 52 14.007 34.484 -9.267 1.00 1.26 C ATOM 811 CD LYS A 52 14.836 34.215 -8.001 1.00 2.20 C ATOM 812 CE LYS A 52 16.228 34.761 -8.124 1.00 2.94 C ATOM 813 NZ LYS A 52 16.143 36.248 -8.117 1.00 2.73 N ATOM 0 H LYS A 52 11.115 34.482 -6.970 1.00 0.41 H new ATOM 0 HA LYS A 52 11.386 32.787 -9.273 1.00 0.44 H new ATOM 0 HB2 LYS A 52 11.938 34.920 -9.644 1.00 0.46 H new ATOM 0 HB3 LYS A 52 12.437 35.197 -7.987 1.00 0.46 H new ATOM 0 HG2 LYS A 52 14.176 33.708 -10.013 1.00 1.26 H new ATOM 0 HG3 LYS A 52 14.292 35.432 -9.723 1.00 1.26 H new ATOM 0 HD2 LYS A 52 14.343 34.666 -7.140 1.00 2.20 H new ATOM 0 HD3 LYS A 52 14.881 33.142 -7.816 1.00 2.20 H new ATOM 0 HE2 LYS A 52 16.849 34.411 -7.299 1.00 2.94 H new ATOM 0 HE3 LYS A 52 16.695 34.411 -9.045 1.00 2.94 H new ATOM 0 HZ1 LYS A 52 16.963 36.640 -7.611 1.00 2.73 H new ATOM 0 HZ2 LYS A 52 16.139 36.600 -9.096 1.00 2.73 H new ATOM 0 HZ3 LYS A 52 15.268 36.543 -7.640 1.00 2.73 H new ATOM 827 N ALA A 53 13.409 32.104 -6.881 1.00 0.25 N ATOM 828 CA ALA A 53 14.400 31.067 -6.494 1.00 0.34 C ATOM 829 C ALA A 53 13.684 29.733 -6.666 1.00 0.30 C ATOM 830 O ALA A 53 14.163 28.902 -7.398 1.00 0.29 O ATOM 831 CB ALA A 53 14.776 31.380 -5.094 1.00 0.45 C ATOM 0 H ALA A 53 13.145 32.755 -6.141 1.00 0.25 H new ATOM 0 HA ALA A 53 15.315 31.032 -7.085 1.00 0.34 H new ATOM 0 HB1 ALA A 53 15.507 30.652 -4.742 1.00 0.45 H new ATOM 0 HB2 ALA A 53 15.208 32.380 -5.048 1.00 0.45 H new ATOM 0 HB3 ALA A 53 13.889 31.339 -4.461 1.00 0.45 H new ATOM 837 N LYS A 54 12.566 29.553 -6.009 1.00 0.29 N ATOM 838 CA LYS A 54 11.799 28.276 -6.141 1.00 0.29 C ATOM 839 C LYS A 54 11.638 27.974 -7.619 1.00 0.29 C ATOM 840 O LYS A 54 12.021 26.928 -8.101 1.00 0.33 O ATOM 841 CB LYS A 54 10.334 28.472 -5.566 1.00 0.26 C ATOM 842 CG LYS A 54 10.258 28.487 -4.034 1.00 0.27 C ATOM 843 CD LYS A 54 10.986 29.717 -3.507 1.00 1.44 C ATOM 844 CE LYS A 54 10.941 29.743 -2.013 1.00 1.41 C ATOM 845 NZ LYS A 54 12.054 30.641 -1.610 1.00 2.25 N ATOM 0 H LYS A 54 12.148 30.241 -5.382 1.00 0.29 H new ATOM 0 HA LYS A 54 12.325 27.484 -5.608 1.00 0.29 H new ATOM 0 HB2 LYS A 54 9.928 29.409 -5.948 1.00 0.26 H new ATOM 0 HB3 LYS A 54 9.698 27.671 -5.943 1.00 0.26 H new ATOM 0 HG2 LYS A 54 9.217 28.499 -3.710 1.00 0.27 H new ATOM 0 HG3 LYS A 54 10.708 27.581 -3.627 1.00 0.27 H new ATOM 0 HD2 LYS A 54 12.022 29.709 -3.847 1.00 1.44 H new ATOM 0 HD3 LYS A 54 10.526 30.620 -3.908 1.00 1.44 H new ATOM 0 HE2 LYS A 54 9.982 30.117 -1.654 1.00 1.41 H new ATOM 0 HE3 LYS A 54 11.070 28.744 -1.597 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 12.388 30.376 -0.661 1.00 2.25 H new ATOM 0 HZ2 LYS A 54 12.836 30.551 -2.290 1.00 2.25 H new ATOM 0 HZ3 LYS A 54 11.718 31.625 -1.597 1.00 2.25 H new ATOM 859 N TRP A 55 11.080 28.942 -8.290 1.00 0.25 N ATOM 860 CA TRP A 55 10.829 28.828 -9.721 1.00 0.24 C ATOM 861 C TRP A 55 12.025 28.343 -10.467 1.00 0.24 C ATOM 862 O TRP A 55 11.999 27.322 -11.107 1.00 0.24 O ATOM 863 CB TRP A 55 10.461 30.179 -10.260 1.00 0.23 C ATOM 864 CG TRP A 55 9.958 29.822 -11.634 1.00 0.22 C ATOM 865 CD1 TRP A 55 8.682 29.503 -11.843 1.00 0.22 C ATOM 866 CD2 TRP A 55 10.640 29.723 -12.791 1.00 0.22 C ATOM 867 NE1 TRP A 55 8.649 29.221 -13.109 1.00 0.21 N ATOM 868 CE2 TRP A 55 9.768 29.327 -13.751 1.00 0.21 C ATOM 869 CE3 TRP A 55 11.931 29.927 -13.167 1.00 0.22 C ATOM 870 CZ2 TRP A 55 10.093 29.128 -15.032 1.00 0.19 C ATOM 871 CZ3 TRP A 55 12.307 29.734 -14.473 1.00 0.20 C ATOM 872 CH2 TRP A 55 11.393 29.332 -15.431 1.00 0.19 C ATOM 0 H TRP A 55 10.785 29.827 -7.878 1.00 0.25 H new ATOM 0 HA TRP A 55 10.023 28.106 -9.856 1.00 0.24 H new ATOM 0 HB2 TRP A 55 9.696 30.668 -9.657 1.00 0.23 H new ATOM 0 HB3 TRP A 55 11.316 30.853 -10.298 1.00 0.23 H new ATOM 0 HD1 TRP A 55 7.871 29.484 -11.131 1.00 0.22 H new ATOM 0 HE1 TRP A 55 7.788 28.932 -13.573 1.00 0.21 H new ATOM 0 HE3 TRP A 55 12.662 30.241 -12.437 1.00 0.22 H new ATOM 0 HZ2 TRP A 55 9.345 28.811 -15.744 1.00 0.19 H new ATOM 0 HZ3 TRP A 55 13.336 29.899 -14.758 1.00 0.20 H new ATOM 0 HH2 TRP A 55 11.691 29.183 -16.458 1.00 0.19 H new ATOM 883 N ASP A 56 13.034 29.128 -10.340 1.00 0.25 N ATOM 884 CA ASP A 56 14.306 28.779 -11.031 1.00 0.24 C ATOM 885 C ASP A 56 14.758 27.371 -10.624 1.00 0.19 C ATOM 886 O ASP A 56 15.059 26.570 -11.490 1.00 0.20 O ATOM 887 CB ASP A 56 15.291 29.896 -10.787 1.00 0.32 C ATOM 888 CG ASP A 56 15.462 30.864 -11.939 1.00 0.72 C ATOM 889 OD1 ASP A 56 14.796 30.773 -12.951 1.00 1.16 O ATOM 890 OD2 ASP A 56 16.294 31.730 -11.794 1.00 1.57 O ATOM 0 H ASP A 56 13.047 29.991 -9.796 1.00 0.25 H new ATOM 0 HA ASP A 56 14.193 28.710 -12.113 1.00 0.24 H new ATOM 0 HB2 ASP A 56 14.972 30.455 -9.907 1.00 0.32 H new ATOM 0 HB3 ASP A 56 16.262 29.459 -10.553 1.00 0.32 H new ATOM 895 N ALA A 57 14.805 27.068 -9.350 1.00 0.16 N ATOM 896 CA ALA A 57 15.229 25.710 -8.957 1.00 0.24 C ATOM 897 C ALA A 57 14.328 24.675 -9.676 1.00 0.25 C ATOM 898 O ALA A 57 14.806 23.783 -10.337 1.00 0.46 O ATOM 899 CB ALA A 57 15.126 25.663 -7.454 1.00 0.30 C ATOM 0 H ALA A 57 14.570 27.698 -8.583 1.00 0.16 H new ATOM 0 HA ALA A 57 16.251 25.469 -9.248 1.00 0.24 H new ATOM 0 HB1 ALA A 57 15.428 24.678 -7.099 1.00 0.30 H new ATOM 0 HB2 ALA A 57 15.779 26.421 -7.021 1.00 0.30 H new ATOM 0 HB3 ALA A 57 14.096 25.857 -7.154 1.00 0.30 H new ATOM 905 N TRP A 58 13.034 24.767 -9.584 1.00 0.13 N ATOM 906 CA TRP A 58 12.189 23.761 -10.288 1.00 0.17 C ATOM 907 C TRP A 58 12.480 23.824 -11.781 1.00 0.19 C ATOM 908 O TRP A 58 12.756 22.814 -12.397 1.00 0.24 O ATOM 909 CB TRP A 58 10.729 24.034 -9.988 1.00 0.14 C ATOM 910 CG TRP A 58 9.824 23.023 -10.737 1.00 0.14 C ATOM 911 CD1 TRP A 58 10.172 21.922 -11.484 1.00 0.14 C ATOM 912 CD2 TRP A 58 8.490 23.136 -10.762 1.00 0.14 C ATOM 913 NE1 TRP A 58 8.984 21.488 -11.889 1.00 0.16 N ATOM 914 CE2 TRP A 58 7.921 22.149 -11.507 1.00 0.17 C ATOM 915 CE3 TRP A 58 7.714 24.069 -10.147 1.00 0.13 C ATOM 916 CZ2 TRP A 58 6.558 22.083 -11.660 1.00 0.19 C ATOM 917 CZ3 TRP A 58 6.349 24.020 -10.280 1.00 0.16 C ATOM 918 CH2 TRP A 58 5.764 23.025 -11.044 1.00 0.20 C ATOM 0 H TRP A 58 12.528 25.482 -9.061 1.00 0.13 H new ATOM 0 HA TRP A 58 12.420 22.754 -9.939 1.00 0.17 H new ATOM 0 HB2 TRP A 58 10.553 23.964 -8.915 1.00 0.14 H new ATOM 0 HB3 TRP A 58 10.474 25.051 -10.287 1.00 0.14 H new ATOM 0 HD1 TRP A 58 11.152 21.517 -11.688 1.00 0.14 H new ATOM 0 HE1 TRP A 58 8.902 20.662 -12.482 1.00 0.16 H new ATOM 0 HE3 TRP A 58 8.172 24.847 -9.555 1.00 0.13 H new ATOM 0 HZ2 TRP A 58 6.113 21.301 -12.257 1.00 0.19 H new ATOM 0 HZ3 TRP A 58 5.732 24.757 -9.789 1.00 0.16 H new ATOM 0 HH2 TRP A 58 4.691 22.987 -11.157 1.00 0.20 H new ATOM 929 N ASN A 59 12.419 24.989 -12.352 1.00 0.15 N ATOM 930 CA ASN A 59 12.686 25.149 -13.806 1.00 0.16 C ATOM 931 C ASN A 59 13.984 24.417 -14.196 1.00 0.16 C ATOM 932 O ASN A 59 14.046 23.815 -15.250 1.00 0.26 O ATOM 933 CB ASN A 59 12.680 26.630 -14.029 1.00 0.23 C ATOM 934 CG ASN A 59 13.463 27.009 -15.233 1.00 0.21 C ATOM 935 OD1 ASN A 59 13.320 26.521 -16.337 1.00 0.22 O ATOM 936 ND2 ASN A 59 14.326 27.919 -14.979 1.00 0.22 N ATOM 0 H ASN A 59 12.191 25.855 -11.864 1.00 0.15 H new ATOM 0 HA ASN A 59 11.941 24.690 -14.457 1.00 0.16 H new ATOM 0 HB2 ASN A 59 11.653 26.977 -14.139 1.00 0.23 H new ATOM 0 HB3 ASN A 59 13.093 27.131 -13.154 1.00 0.23 H new ATOM 0 HD21 ASN A 59 14.933 28.267 -15.721 1.00 0.22 H new ATOM 0 HD22 ASN A 59 14.406 28.296 -14.035 1.00 0.22 H new ATOM 943 N GLU A 60 14.946 24.531 -13.326 1.00 0.17 N ATOM 944 CA GLU A 60 16.285 23.895 -13.490 1.00 0.18 C ATOM 945 C GLU A 60 16.102 22.407 -13.792 1.00 0.27 C ATOM 946 O GLU A 60 16.781 21.818 -14.607 1.00 0.38 O ATOM 947 CB GLU A 60 17.057 24.085 -12.182 1.00 0.16 C ATOM 948 CG GLU A 60 18.498 23.553 -12.285 1.00 0.54 C ATOM 949 CD GLU A 60 19.151 23.551 -10.899 1.00 1.29 C ATOM 950 OE1 GLU A 60 18.667 22.788 -10.077 1.00 2.53 O ATOM 951 OE2 GLU A 60 20.087 24.311 -10.756 1.00 1.26 O ATOM 0 H GLU A 60 14.853 25.067 -12.463 1.00 0.17 H new ATOM 0 HA GLU A 60 16.836 24.349 -14.314 1.00 0.18 H new ATOM 0 HB2 GLU A 60 17.078 25.144 -11.923 1.00 0.16 H new ATOM 0 HB3 GLU A 60 16.536 23.570 -11.375 1.00 0.16 H new ATOM 0 HG2 GLU A 60 18.494 22.544 -12.697 1.00 0.54 H new ATOM 0 HG3 GLU A 60 19.077 24.174 -12.969 1.00 0.54 H new ATOM 958 N LEU A 61 15.153 21.851 -13.101 1.00 0.27 N ATOM 959 CA LEU A 61 14.807 20.409 -13.244 1.00 0.32 C ATOM 960 C LEU A 61 13.977 20.123 -14.459 1.00 0.37 C ATOM 961 O LEU A 61 14.326 19.246 -15.221 1.00 0.23 O ATOM 962 CB LEU A 61 13.956 20.039 -12.120 1.00 0.32 C ATOM 963 CG LEU A 61 14.587 20.528 -10.865 1.00 0.24 C ATOM 964 CD1 LEU A 61 13.747 19.939 -9.896 1.00 0.24 C ATOM 965 CD2 LEU A 61 16.007 20.048 -10.703 1.00 0.17 C ATOM 0 H LEU A 61 14.582 22.351 -12.420 1.00 0.27 H new ATOM 0 HA LEU A 61 15.749 19.864 -13.303 1.00 0.32 H new ATOM 0 HB2 LEU A 61 12.963 20.473 -12.238 1.00 0.32 H new ATOM 0 HB3 LEU A 61 13.828 18.957 -12.082 1.00 0.32 H new ATOM 0 HG LEU A 61 14.666 21.614 -10.814 1.00 0.24 H new ATOM 0 HD11 LEU A 61 14.093 20.214 -8.899 1.00 0.24 H new ATOM 0 HD12 LEU A 61 12.726 20.293 -10.036 1.00 0.24 H new ATOM 0 HD13 LEU A 61 13.773 18.855 -10.003 1.00 0.24 H new ATOM 0 HD21 LEU A 61 16.418 20.435 -9.770 1.00 0.17 H new ATOM 0 HD22 LEU A 61 16.023 18.958 -10.682 1.00 0.17 H new ATOM 0 HD23 LEU A 61 16.609 20.403 -11.540 1.00 0.17 H new ATOM 977 N LYS A 62 12.911 20.885 -14.549 1.00 0.67 N ATOM 978 CA LYS A 62 11.908 20.807 -15.669 1.00 0.75 C ATOM 979 C LYS A 62 12.533 20.021 -16.831 1.00 0.64 C ATOM 980 O LYS A 62 13.191 20.553 -17.708 1.00 0.75 O ATOM 981 CB LYS A 62 11.390 22.209 -15.967 1.00 0.92 C ATOM 982 CG LYS A 62 10.509 22.162 -17.220 1.00 0.80 C ATOM 983 CD LYS A 62 11.184 22.621 -18.542 1.00 0.63 C ATOM 984 CE LYS A 62 12.090 23.830 -18.333 1.00 1.97 C ATOM 985 NZ LYS A 62 13.421 23.294 -17.915 1.00 2.77 N ATOM 0 H LYS A 62 12.683 21.596 -13.854 1.00 0.67 H new ATOM 0 HA LYS A 62 11.010 20.244 -15.414 1.00 0.75 H new ATOM 0 HB2 LYS A 62 10.818 22.587 -15.119 1.00 0.92 H new ATOM 0 HB3 LYS A 62 12.224 22.894 -16.119 1.00 0.92 H new ATOM 0 HG2 LYS A 62 10.153 21.140 -17.352 1.00 0.80 H new ATOM 0 HG3 LYS A 62 9.632 22.785 -17.047 1.00 0.80 H new ATOM 0 HD2 LYS A 62 11.767 21.798 -18.955 1.00 0.63 H new ATOM 0 HD3 LYS A 62 10.415 22.867 -19.275 1.00 0.63 H new ATOM 0 HE2 LYS A 62 12.177 24.413 -19.250 1.00 1.97 H new ATOM 0 HE3 LYS A 62 11.682 24.494 -17.571 1.00 1.97 H new ATOM 0 HZ1 LYS A 62 13.696 23.718 -17.006 1.00 2.77 H new ATOM 0 HZ2 LYS A 62 13.362 22.261 -17.812 1.00 2.77 H new ATOM 0 HZ3 LYS A 62 14.132 23.530 -18.636 1.00 2.77 H new ATOM 999 N GLY A 63 12.225 18.770 -16.682 1.00 0.52 N ATOM 1000 CA GLY A 63 12.647 17.642 -17.559 1.00 0.44 C ATOM 1001 C GLY A 63 13.395 16.565 -16.722 1.00 0.47 C ATOM 1002 O GLY A 63 13.695 15.517 -17.252 1.00 0.65 O ATOM 0 H GLY A 63 11.639 18.455 -15.909 1.00 0.52 H new ATOM 0 HA2 GLY A 63 11.775 17.199 -18.040 1.00 0.44 H new ATOM 0 HA3 GLY A 63 13.296 18.012 -18.353 1.00 0.44 H new ATOM 1006 N THR A 64 13.703 16.787 -15.451 1.00 0.38 N ATOM 1007 CA THR A 64 14.419 15.742 -14.646 1.00 0.42 C ATOM 1008 C THR A 64 13.658 14.451 -14.637 1.00 0.33 C ATOM 1009 O THR A 64 12.442 14.411 -14.669 1.00 0.29 O ATOM 1010 CB THR A 64 14.623 16.237 -13.179 1.00 0.40 C ATOM 1011 OG1 THR A 64 15.993 16.101 -12.865 1.00 0.48 O ATOM 1012 CG2 THR A 64 13.996 15.424 -12.099 1.00 0.66 C ATOM 0 H THR A 64 13.487 17.646 -14.945 1.00 0.38 H new ATOM 0 HA THR A 64 15.390 15.570 -15.111 1.00 0.42 H new ATOM 0 HB THR A 64 14.187 17.236 -13.187 1.00 0.40 H new ATOM 0 HG1 THR A 64 16.236 15.151 -12.863 1.00 0.48 H new ATOM 0 HG21 THR A 64 14.213 15.876 -11.131 1.00 0.66 H new ATOM 0 HG22 THR A 64 12.917 15.389 -12.249 1.00 0.66 H new ATOM 0 HG23 THR A 64 14.399 14.411 -12.125 1.00 0.66 H new ATOM 1020 N SER A 65 14.377 13.378 -14.555 1.00 0.29 N ATOM 1021 CA SER A 65 13.656 12.086 -14.548 1.00 0.22 C ATOM 1022 C SER A 65 12.972 12.079 -13.182 1.00 0.25 C ATOM 1023 O SER A 65 13.564 12.198 -12.126 1.00 0.39 O ATOM 1024 CB SER A 65 14.620 10.940 -14.841 1.00 0.43 C ATOM 1025 OG SER A 65 15.077 11.280 -16.146 1.00 2.09 O ATOM 0 H SER A 65 15.394 13.335 -14.495 1.00 0.29 H new ATOM 0 HA SER A 65 12.906 11.955 -15.328 1.00 0.22 H new ATOM 0 HB2 SER A 65 15.436 10.896 -14.119 1.00 0.43 H new ATOM 0 HB3 SER A 65 14.123 9.970 -14.820 1.00 0.43 H new ATOM 0 HG SER A 65 15.719 10.606 -16.454 1.00 2.09 H new ATOM 1031 N LYS A 66 11.681 11.976 -13.266 1.00 0.26 N ATOM 1032 CA LYS A 66 10.793 11.948 -12.066 1.00 0.43 C ATOM 1033 C LYS A 66 11.398 11.147 -10.903 1.00 0.51 C ATOM 1034 O LYS A 66 11.216 11.436 -9.740 1.00 0.65 O ATOM 1035 CB LYS A 66 9.495 11.336 -12.558 1.00 0.50 C ATOM 1036 CG LYS A 66 8.961 12.194 -13.767 1.00 0.90 C ATOM 1037 CD LYS A 66 7.413 12.056 -13.901 1.00 0.83 C ATOM 1038 CE LYS A 66 6.727 13.263 -13.256 1.00 1.50 C ATOM 1039 NZ LYS A 66 7.075 14.454 -14.086 1.00 2.67 N ATOM 0 H LYS A 66 11.180 11.907 -14.152 1.00 0.26 H new ATOM 0 HA LYS A 66 10.646 12.948 -11.657 1.00 0.43 H new ATOM 0 HB2 LYS A 66 9.657 10.304 -12.869 1.00 0.50 H new ATOM 0 HB3 LYS A 66 8.758 11.315 -11.755 1.00 0.50 H new ATOM 0 HG2 LYS A 66 9.226 13.241 -13.621 1.00 0.90 H new ATOM 0 HG3 LYS A 66 9.441 11.869 -14.690 1.00 0.90 H new ATOM 0 HD2 LYS A 66 7.135 11.987 -14.953 1.00 0.83 H new ATOM 0 HD3 LYS A 66 7.078 11.136 -13.421 1.00 0.83 H new ATOM 0 HE2 LYS A 66 5.647 13.120 -13.220 1.00 1.50 H new ATOM 0 HE3 LYS A 66 7.065 13.396 -12.228 1.00 1.50 H new ATOM 0 HZ1 LYS A 66 7.707 15.080 -13.547 1.00 2.67 H new ATOM 0 HZ2 LYS A 66 7.554 14.143 -14.956 1.00 2.67 H new ATOM 0 HZ3 LYS A 66 6.207 14.970 -14.334 1.00 2.67 H new ATOM 1053 N GLU A 67 12.126 10.147 -11.298 1.00 0.50 N ATOM 1054 CA GLU A 67 12.801 9.236 -10.345 1.00 0.69 C ATOM 1055 C GLU A 67 13.866 10.050 -9.656 1.00 0.63 C ATOM 1056 O GLU A 67 13.864 10.068 -8.444 1.00 0.60 O ATOM 1057 CB GLU A 67 13.405 8.047 -11.141 1.00 0.92 C ATOM 1058 CG GLU A 67 12.742 6.711 -10.676 1.00 1.37 C ATOM 1059 CD GLU A 67 13.257 6.231 -9.313 1.00 2.49 C ATOM 1060 OE1 GLU A 67 14.422 5.875 -9.270 1.00 3.60 O ATOM 1061 OE2 GLU A 67 12.506 6.212 -8.351 1.00 2.61 O ATOM 0 H GLU A 67 12.286 9.917 -12.279 1.00 0.50 H new ATOM 0 HA GLU A 67 12.120 8.821 -9.601 1.00 0.69 H new ATOM 0 HB2 GLU A 67 13.243 8.192 -12.209 1.00 0.92 H new ATOM 0 HB3 GLU A 67 14.483 8.003 -10.985 1.00 0.92 H new ATOM 0 HG2 GLU A 67 11.662 6.847 -10.623 1.00 1.37 H new ATOM 0 HG3 GLU A 67 12.930 5.939 -11.422 1.00 1.37 H new ATOM 1068 N ASP A 68 14.729 10.697 -10.398 1.00 0.62 N ATOM 1069 CA ASP A 68 15.774 11.499 -9.760 1.00 0.63 C ATOM 1070 C ASP A 68 15.175 12.356 -8.686 1.00 0.43 C ATOM 1071 O ASP A 68 15.592 12.396 -7.547 1.00 0.40 O ATOM 1072 CB ASP A 68 16.337 12.491 -10.759 1.00 0.96 C ATOM 1073 CG ASP A 68 16.533 11.954 -12.129 1.00 1.62 C ATOM 1074 OD1 ASP A 68 16.764 10.772 -12.282 1.00 0.81 O ATOM 1075 OD2 ASP A 68 16.431 12.835 -12.958 1.00 3.14 O ATOM 0 H ASP A 68 14.742 10.694 -11.418 1.00 0.62 H new ATOM 0 HA ASP A 68 16.527 10.811 -9.376 1.00 0.63 H new ATOM 0 HB2 ASP A 68 15.668 13.350 -10.813 1.00 0.96 H new ATOM 0 HB3 ASP A 68 17.294 12.856 -10.387 1.00 0.96 H new ATOM 1080 N ALA A 69 14.164 13.016 -9.177 1.00 0.31 N ATOM 1081 CA ALA A 69 13.393 13.941 -8.339 1.00 0.23 C ATOM 1082 C ALA A 69 12.895 13.200 -7.119 1.00 0.20 C ATOM 1083 O ALA A 69 13.329 13.562 -6.059 1.00 0.40 O ATOM 1084 CB ALA A 69 12.273 14.530 -9.170 1.00 0.27 C ATOM 0 H ALA A 69 13.843 12.944 -10.142 1.00 0.31 H new ATOM 0 HA ALA A 69 14.008 14.768 -7.985 1.00 0.23 H new ATOM 0 HB1 ALA A 69 11.691 15.220 -8.559 1.00 0.27 H new ATOM 0 HB2 ALA A 69 12.694 15.065 -10.021 1.00 0.27 H new ATOM 0 HB3 ALA A 69 11.626 13.729 -9.529 1.00 0.27 H new ATOM 1090 N MET A 70 12.051 12.214 -7.232 1.00 0.10 N ATOM 1091 CA MET A 70 11.555 11.487 -6.058 1.00 0.20 C ATOM 1092 C MET A 70 12.694 10.991 -5.197 1.00 0.19 C ATOM 1093 O MET A 70 12.799 11.355 -4.043 1.00 0.18 O ATOM 1094 CB MET A 70 10.731 10.336 -6.592 1.00 0.19 C ATOM 1095 CG MET A 70 9.398 10.869 -7.138 1.00 0.12 C ATOM 1096 SD MET A 70 8.028 9.701 -7.321 1.00 0.04 S ATOM 1097 CE MET A 70 6.656 10.836 -6.973 1.00 0.14 C ATOM 0 H MET A 70 11.680 11.881 -8.122 1.00 0.10 H new ATOM 0 HA MET A 70 10.956 12.137 -5.419 1.00 0.20 H new ATOM 0 HB2 MET A 70 11.278 9.818 -7.380 1.00 0.19 H new ATOM 0 HB3 MET A 70 10.547 9.609 -5.801 1.00 0.19 H new ATOM 0 HG2 MET A 70 9.066 11.673 -6.482 1.00 0.12 H new ATOM 0 HG3 MET A 70 9.591 11.313 -8.114 1.00 0.12 H new ATOM 0 HE1 MET A 70 5.834 10.635 -7.661 1.00 0.14 H new ATOM 0 HE2 MET A 70 6.315 10.691 -5.948 1.00 0.14 H new ATOM 0 HE3 MET A 70 6.993 11.865 -7.101 1.00 0.14 H new ATOM 1107 N LYS A 71 13.493 10.168 -5.801 1.00 0.19 N ATOM 1108 CA LYS A 71 14.679 9.579 -5.108 1.00 0.23 C ATOM 1109 C LYS A 71 15.357 10.684 -4.266 1.00 0.13 C ATOM 1110 O LYS A 71 15.322 10.686 -3.049 1.00 0.16 O ATOM 1111 CB LYS A 71 15.639 9.024 -6.204 1.00 0.31 C ATOM 1112 CG LYS A 71 15.158 7.662 -6.784 1.00 0.49 C ATOM 1113 CD LYS A 71 15.299 6.588 -5.656 1.00 1.70 C ATOM 1114 CE LYS A 71 15.516 5.172 -6.219 1.00 2.48 C ATOM 1115 NZ LYS A 71 14.298 4.739 -6.967 1.00 3.39 N ATOM 0 H LYS A 71 13.377 9.867 -6.769 1.00 0.19 H new ATOM 0 HA LYS A 71 14.398 8.767 -4.437 1.00 0.23 H new ATOM 0 HB2 LYS A 71 15.721 9.751 -7.012 1.00 0.31 H new ATOM 0 HB3 LYS A 71 16.636 8.903 -5.781 1.00 0.31 H new ATOM 0 HG2 LYS A 71 14.123 7.733 -7.117 1.00 0.49 H new ATOM 0 HG3 LYS A 71 15.755 7.384 -7.653 1.00 0.49 H new ATOM 0 HD2 LYS A 71 16.136 6.851 -5.010 1.00 1.70 H new ATOM 0 HD3 LYS A 71 14.403 6.596 -5.036 1.00 1.70 H new ATOM 0 HE2 LYS A 71 16.384 5.161 -6.879 1.00 2.48 H new ATOM 0 HE3 LYS A 71 15.724 4.475 -5.407 1.00 2.48 H new ATOM 0 HZ1 LYS A 71 13.950 3.841 -6.574 1.00 3.39 H new ATOM 0 HZ2 LYS A 71 13.559 5.466 -6.878 1.00 3.39 H new ATOM 0 HZ3 LYS A 71 14.536 4.608 -7.971 1.00 3.39 H new ATOM 1129 N ALA A 72 15.944 11.603 -4.990 1.00 0.13 N ATOM 1130 CA ALA A 72 16.652 12.762 -4.392 1.00 0.16 C ATOM 1131 C ALA A 72 15.766 13.365 -3.278 1.00 0.15 C ATOM 1132 O ALA A 72 16.137 13.399 -2.125 1.00 0.22 O ATOM 1133 CB ALA A 72 16.907 13.743 -5.564 1.00 0.24 C ATOM 0 H ALA A 72 15.958 11.591 -6.010 1.00 0.13 H new ATOM 0 HA ALA A 72 17.601 12.503 -3.922 1.00 0.16 H new ATOM 0 HB1 ALA A 72 17.429 14.625 -5.193 1.00 0.24 H new ATOM 0 HB2 ALA A 72 17.517 13.253 -6.323 1.00 0.24 H new ATOM 0 HB3 ALA A 72 15.955 14.042 -6.002 1.00 0.24 H new ATOM 1139 N TYR A 73 14.604 13.817 -3.666 1.00 0.10 N ATOM 1140 CA TYR A 73 13.619 14.426 -2.733 1.00 0.11 C ATOM 1141 C TYR A 73 13.598 13.781 -1.354 1.00 0.16 C ATOM 1142 O TYR A 73 13.782 14.445 -0.360 1.00 0.20 O ATOM 1143 CB TYR A 73 12.252 14.209 -3.386 1.00 0.10 C ATOM 1144 CG TYR A 73 11.174 15.015 -2.712 1.00 0.11 C ATOM 1145 CD1 TYR A 73 11.003 16.315 -3.088 1.00 0.73 C ATOM 1146 CD2 TYR A 73 10.386 14.482 -1.723 1.00 0.92 C ATOM 1147 CE1 TYR A 73 10.059 17.089 -2.466 1.00 0.70 C ATOM 1148 CE2 TYR A 73 9.443 15.267 -1.116 1.00 0.94 C ATOM 1149 CZ TYR A 73 9.280 16.573 -1.480 1.00 0.15 C ATOM 1150 OH TYR A 73 8.360 17.391 -0.866 1.00 0.22 O ATOM 0 H TYR A 73 14.287 13.786 -4.635 1.00 0.10 H new ATOM 0 HA TYR A 73 13.881 15.472 -2.574 1.00 0.11 H new ATOM 0 HB2 TYR A 73 12.305 14.483 -4.440 1.00 0.10 H new ATOM 0 HB3 TYR A 73 11.994 13.151 -3.345 1.00 0.10 H new ATOM 0 HD1 TYR A 73 11.612 16.734 -3.876 1.00 0.73 H new ATOM 0 HD2 TYR A 73 10.509 13.451 -1.426 1.00 0.92 H new ATOM 0 HE1 TYR A 73 9.933 18.120 -2.763 1.00 0.70 H new ATOM 0 HE2 TYR A 73 8.820 14.848 -0.339 1.00 0.94 H new ATOM 0 HH TYR A 73 7.568 17.478 -1.436 1.00 0.22 H new ATOM 1160 N ILE A 74 13.396 12.496 -1.346 1.00 0.17 N ATOM 1161 CA ILE A 74 13.343 11.791 -0.011 1.00 0.22 C ATOM 1162 C ILE A 74 14.710 11.892 0.624 1.00 0.26 C ATOM 1163 O ILE A 74 14.897 12.531 1.643 1.00 0.37 O ATOM 1164 CB ILE A 74 13.162 10.214 -0.077 1.00 0.18 C ATOM 1165 CG1 ILE A 74 12.215 9.706 -1.146 1.00 0.18 C ATOM 1166 CG2 ILE A 74 12.803 9.732 1.349 1.00 0.23 C ATOM 1167 CD1 ILE A 74 12.496 8.214 -1.355 1.00 0.72 C ATOM 0 H ILE A 74 13.268 11.908 -2.169 1.00 0.17 H new ATOM 0 HA ILE A 74 12.503 12.258 0.503 1.00 0.22 H new ATOM 0 HB ILE A 74 14.105 9.775 -0.404 1.00 0.18 H new ATOM 0 HG12 ILE A 74 11.179 9.860 -0.843 1.00 0.18 H new ATOM 0 HG13 ILE A 74 12.360 10.255 -2.076 1.00 0.18 H new ATOM 0 HG21 ILE A 74 12.670 8.650 1.345 1.00 0.23 H new ATOM 0 HG22 ILE A 74 13.607 9.996 2.036 1.00 0.23 H new ATOM 0 HG23 ILE A 74 11.878 10.210 1.673 1.00 0.23 H new ATOM 0 HD11 ILE A 74 11.827 7.822 -2.121 1.00 0.72 H new ATOM 0 HD12 ILE A 74 13.530 8.080 -1.673 1.00 0.72 H new ATOM 0 HD13 ILE A 74 12.331 7.678 -0.420 1.00 0.72 H new ATOM 1179 N ASP A 75 15.635 11.250 -0.035 1.00 0.26 N ATOM 1180 CA ASP A 75 17.046 11.198 0.406 1.00 0.44 C ATOM 1181 C ASP A 75 17.607 12.538 0.874 1.00 0.42 C ATOM 1182 O ASP A 75 18.518 12.624 1.676 1.00 0.51 O ATOM 1183 CB ASP A 75 17.748 10.519 -0.745 1.00 0.59 C ATOM 1184 CG ASP A 75 17.360 9.044 -0.737 1.00 0.95 C ATOM 1185 OD1 ASP A 75 16.227 8.763 -1.098 1.00 1.25 O ATOM 1186 OD2 ASP A 75 18.228 8.287 -0.359 1.00 1.90 O ATOM 0 H ASP A 75 15.454 10.739 -0.899 1.00 0.26 H new ATOM 0 HA ASP A 75 17.194 10.633 1.326 1.00 0.44 H new ATOM 0 HB2 ASP A 75 17.463 10.982 -1.690 1.00 0.59 H new ATOM 0 HB3 ASP A 75 18.828 10.628 -0.649 1.00 0.59 H new ATOM 1191 N LYS A 76 17.013 13.563 0.343 1.00 0.34 N ATOM 1192 CA LYS A 76 17.431 14.935 0.695 1.00 0.36 C ATOM 1193 C LYS A 76 16.550 15.404 1.847 1.00 0.38 C ATOM 1194 O LYS A 76 17.029 16.047 2.763 1.00 0.44 O ATOM 1195 CB LYS A 76 17.188 15.829 -0.494 1.00 0.50 C ATOM 1196 CG LYS A 76 18.132 17.069 -0.331 1.00 1.06 C ATOM 1197 CD LYS A 76 19.585 16.700 -0.770 1.00 0.41 C ATOM 1198 CE LYS A 76 20.582 17.852 -0.494 1.00 0.71 C ATOM 1199 NZ LYS A 76 20.650 18.051 0.980 1.00 1.19 N ATOM 0 H LYS A 76 16.247 13.505 -0.328 1.00 0.34 H new ATOM 0 HA LYS A 76 18.484 14.964 0.975 1.00 0.36 H new ATOM 0 HB2 LYS A 76 17.401 15.301 -1.424 1.00 0.50 H new ATOM 0 HB3 LYS A 76 16.144 16.141 -0.536 1.00 0.50 H new ATOM 0 HG2 LYS A 76 17.762 17.899 -0.933 1.00 1.06 H new ATOM 0 HG3 LYS A 76 18.131 17.402 0.707 1.00 1.06 H new ATOM 0 HD2 LYS A 76 19.908 15.805 -0.239 1.00 0.41 H new ATOM 0 HD3 LYS A 76 19.593 16.460 -1.833 1.00 0.41 H new ATOM 0 HE2 LYS A 76 21.567 17.609 -0.893 1.00 0.71 H new ATOM 0 HE3 LYS A 76 20.255 18.767 -0.988 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 20.069 18.871 1.247 1.00 1.19 H new ATOM 0 HZ2 LYS A 76 20.292 17.202 1.462 1.00 1.19 H new ATOM 0 HZ3 LYS A 76 21.637 18.219 1.262 1.00 1.19 H new ATOM 1213 N VAL A 77 15.276 15.098 1.841 1.00 0.37 N ATOM 1214 CA VAL A 77 14.393 15.524 2.927 1.00 0.38 C ATOM 1215 C VAL A 77 14.998 15.077 4.231 1.00 0.43 C ATOM 1216 O VAL A 77 14.987 15.805 5.198 1.00 0.45 O ATOM 1217 CB VAL A 77 13.036 14.888 2.622 1.00 0.38 C ATOM 1218 CG1 VAL A 77 12.323 14.556 3.882 1.00 0.54 C ATOM 1219 CG2 VAL A 77 12.269 15.910 1.853 1.00 0.28 C ATOM 0 H VAL A 77 14.818 14.559 1.106 1.00 0.37 H new ATOM 0 HA VAL A 77 14.266 16.604 3.008 1.00 0.38 H new ATOM 0 HB VAL A 77 13.149 13.961 2.060 1.00 0.38 H new ATOM 0 HG11 VAL A 77 11.359 14.104 3.647 1.00 0.54 H new ATOM 0 HG12 VAL A 77 12.920 13.854 4.464 1.00 0.54 H new ATOM 0 HG13 VAL A 77 12.165 15.466 4.461 1.00 0.54 H new ATOM 0 HG21 VAL A 77 11.285 15.514 1.603 1.00 0.28 H new ATOM 0 HG22 VAL A 77 12.156 16.810 2.457 1.00 0.28 H new ATOM 0 HG23 VAL A 77 12.805 16.153 0.936 1.00 0.28 H new ATOM 1229 N GLU A 78 15.501 13.877 4.232 1.00 0.46 N ATOM 1230 CA GLU A 78 16.126 13.374 5.501 1.00 0.52 C ATOM 1231 C GLU A 78 17.120 14.389 6.132 1.00 0.47 C ATOM 1232 O GLU A 78 17.387 14.301 7.318 1.00 0.64 O ATOM 1233 CB GLU A 78 16.625 11.931 5.304 1.00 0.90 C ATOM 1234 CG GLU A 78 15.954 10.997 6.379 1.00 1.77 C ATOM 1235 CD GLU A 78 16.676 11.069 7.717 1.00 0.81 C ATOM 1236 OE1 GLU A 78 17.750 10.501 7.751 1.00 1.03 O ATOM 1237 OE2 GLU A 78 16.180 11.670 8.654 1.00 1.33 O ATOM 0 H GLU A 78 15.512 13.234 3.440 1.00 0.46 H new ATOM 0 HA GLU A 78 15.371 13.304 6.284 1.00 0.52 H new ATOM 0 HB2 GLU A 78 16.381 11.583 4.300 1.00 0.90 H new ATOM 0 HB3 GLU A 78 17.710 11.893 5.399 1.00 0.90 H new ATOM 0 HG2 GLU A 78 14.911 11.286 6.512 1.00 1.77 H new ATOM 0 HG3 GLU A 78 15.956 9.968 6.019 1.00 1.77 H new ATOM 1244 N GLU A 79 17.633 15.315 5.349 1.00 0.48 N ATOM 1245 CA GLU A 79 18.589 16.366 5.834 1.00 0.43 C ATOM 1246 C GLU A 79 17.670 17.454 6.445 1.00 0.31 C ATOM 1247 O GLU A 79 17.907 17.931 7.539 1.00 0.28 O ATOM 1248 CB GLU A 79 19.412 16.950 4.648 1.00 0.43 C ATOM 1249 CG GLU A 79 20.595 16.001 4.230 1.00 0.56 C ATOM 1250 CD GLU A 79 21.437 16.611 3.108 1.00 0.52 C ATOM 1251 OE1 GLU A 79 21.927 17.714 3.271 1.00 0.50 O ATOM 1252 OE2 GLU A 79 21.561 15.976 2.080 1.00 1.61 O ATOM 0 H GLU A 79 17.418 15.386 4.354 1.00 0.48 H new ATOM 0 HA GLU A 79 19.314 15.976 6.548 1.00 0.43 H new ATOM 0 HB2 GLU A 79 18.754 17.108 3.793 1.00 0.43 H new ATOM 0 HB3 GLU A 79 19.811 17.925 4.928 1.00 0.43 H new ATOM 0 HG2 GLU A 79 21.228 15.805 5.095 1.00 0.56 H new ATOM 0 HG3 GLU A 79 20.194 15.041 3.904 1.00 0.56 H new ATOM 1259 N LEU A 80 16.627 17.867 5.765 1.00 0.27 N ATOM 1260 CA LEU A 80 15.693 18.903 6.316 1.00 0.23 C ATOM 1261 C LEU A 80 15.206 18.407 7.652 1.00 0.17 C ATOM 1262 O LEU A 80 15.151 19.099 8.653 1.00 0.22 O ATOM 1263 CB LEU A 80 14.646 19.075 5.310 1.00 0.23 C ATOM 1264 CG LEU A 80 15.393 19.500 4.022 1.00 0.25 C ATOM 1265 CD1 LEU A 80 14.351 20.075 3.216 1.00 0.25 C ATOM 1266 CD2 LEU A 80 16.489 20.562 4.243 1.00 0.26 C ATOM 0 H LEU A 80 16.379 17.525 4.837 1.00 0.27 H new ATOM 0 HA LEU A 80 16.143 19.879 6.498 1.00 0.23 H new ATOM 0 HB2 LEU A 80 14.090 18.150 5.157 1.00 0.23 H new ATOM 0 HB3 LEU A 80 13.925 19.833 5.616 1.00 0.23 H new ATOM 0 HG LEU A 80 15.914 18.647 3.588 1.00 0.25 H new ATOM 0 HD11 LEU A 80 14.769 20.415 2.268 1.00 0.25 H new ATOM 0 HD12 LEU A 80 13.583 19.326 3.026 1.00 0.25 H new ATOM 0 HD13 LEU A 80 13.910 20.922 3.742 1.00 0.25 H new ATOM 0 HD21 LEU A 80 16.961 20.802 3.290 1.00 0.26 H new ATOM 0 HD22 LEU A 80 16.043 21.463 4.664 1.00 0.26 H new ATOM 0 HD23 LEU A 80 17.239 20.173 4.932 1.00 0.26 H new ATOM 1278 N LYS A 81 14.861 17.165 7.588 1.00 0.17 N ATOM 1279 CA LYS A 81 14.373 16.464 8.793 1.00 0.19 C ATOM 1280 C LYS A 81 15.344 16.691 9.974 1.00 0.31 C ATOM 1281 O LYS A 81 14.949 16.590 11.112 1.00 0.37 O ATOM 1282 CB LYS A 81 14.331 15.058 8.335 1.00 0.19 C ATOM 1283 CG LYS A 81 13.971 14.088 9.453 1.00 0.48 C ATOM 1284 CD LYS A 81 13.476 12.795 8.765 1.00 0.09 C ATOM 1285 CE LYS A 81 12.088 12.989 8.216 1.00 1.22 C ATOM 1286 NZ LYS A 81 11.244 13.237 9.411 1.00 2.10 N ATOM 0 H LYS A 81 14.896 16.596 6.742 1.00 0.17 H new ATOM 0 HA LYS A 81 13.408 16.805 9.168 1.00 0.19 H new ATOM 0 HB2 LYS A 81 13.603 14.964 7.529 1.00 0.19 H new ATOM 0 HB3 LYS A 81 15.302 14.785 7.921 1.00 0.19 H new ATOM 0 HG2 LYS A 81 14.836 13.885 10.085 1.00 0.48 H new ATOM 0 HG3 LYS A 81 13.197 14.507 10.096 1.00 0.48 H new ATOM 0 HD2 LYS A 81 14.157 12.521 7.959 1.00 0.09 H new ATOM 0 HD3 LYS A 81 13.479 11.972 9.479 1.00 0.09 H new ATOM 0 HE2 LYS A 81 12.050 13.829 7.523 1.00 1.22 H new ATOM 0 HE3 LYS A 81 11.751 12.108 7.669 1.00 1.22 H new ATOM 0 HZ1 LYS A 81 10.294 12.844 9.253 1.00 2.10 H new ATOM 0 HZ2 LYS A 81 11.674 12.780 10.240 1.00 2.10 H new ATOM 0 HZ3 LYS A 81 11.172 14.261 9.579 1.00 2.10 H new ATOM 1300 N LYS A 82 16.576 16.987 9.657 1.00 0.34 N ATOM 1301 CA LYS A 82 17.640 17.239 10.695 1.00 0.46 C ATOM 1302 C LYS A 82 17.923 18.724 10.954 1.00 0.51 C ATOM 1303 O LYS A 82 18.063 19.149 12.082 1.00 0.61 O ATOM 1304 CB LYS A 82 18.909 16.551 10.220 1.00 0.42 C ATOM 1305 CG LYS A 82 18.653 15.056 10.257 1.00 0.51 C ATOM 1306 CD LYS A 82 19.914 14.368 9.726 1.00 0.54 C ATOM 1307 CE LYS A 82 19.746 12.876 9.837 1.00 1.16 C ATOM 1308 NZ LYS A 82 18.574 12.491 9.017 1.00 1.87 N ATOM 0 H LYS A 82 16.906 17.069 8.695 1.00 0.34 H new ATOM 0 HA LYS A 82 17.282 16.842 11.645 1.00 0.46 H new ATOM 0 HB2 LYS A 82 19.165 16.872 9.210 1.00 0.42 H new ATOM 0 HB3 LYS A 82 19.751 16.813 10.861 1.00 0.42 H new ATOM 0 HG2 LYS A 82 18.435 14.728 11.273 1.00 0.51 H new ATOM 0 HG3 LYS A 82 17.788 14.798 9.646 1.00 0.51 H new ATOM 0 HD2 LYS A 82 20.087 14.650 8.688 1.00 0.54 H new ATOM 0 HD3 LYS A 82 20.786 14.691 10.294 1.00 0.54 H new ATOM 0 HE2 LYS A 82 20.642 12.363 9.487 1.00 1.16 H new ATOM 0 HE3 LYS A 82 19.597 12.584 10.877 1.00 1.16 H new ATOM 0 HZ1 LYS A 82 18.737 11.554 8.597 1.00 1.87 H new ATOM 0 HZ2 LYS A 82 17.726 12.459 9.618 1.00 1.87 H new ATOM 0 HZ3 LYS A 82 18.436 13.190 8.260 1.00 1.87 H new ATOM 1322 N LYS A 83 18.028 19.458 9.886 1.00 0.48 N ATOM 1323 CA LYS A 83 18.293 20.922 9.918 1.00 0.54 C ATOM 1324 C LYS A 83 17.121 21.672 10.575 1.00 0.53 C ATOM 1325 O LYS A 83 17.260 22.558 11.395 1.00 0.62 O ATOM 1326 CB LYS A 83 18.392 21.327 8.429 1.00 0.53 C ATOM 1327 CG LYS A 83 18.862 22.792 8.216 1.00 0.75 C ATOM 1328 CD LYS A 83 20.354 23.024 8.601 1.00 0.63 C ATOM 1329 CE LYS A 83 21.297 22.093 7.829 1.00 1.44 C ATOM 1330 NZ LYS A 83 21.130 22.323 6.353 1.00 1.79 N ATOM 0 H LYS A 83 17.936 19.082 8.942 1.00 0.48 H new ATOM 0 HA LYS A 83 19.190 21.162 10.489 1.00 0.54 H new ATOM 0 HB2 LYS A 83 19.084 20.654 7.923 1.00 0.53 H new ATOM 0 HB3 LYS A 83 17.418 21.194 7.959 1.00 0.53 H new ATOM 0 HG2 LYS A 83 18.718 23.064 7.170 1.00 0.75 H new ATOM 0 HG3 LYS A 83 18.234 23.457 8.808 1.00 0.75 H new ATOM 0 HD2 LYS A 83 20.623 24.061 8.400 1.00 0.63 H new ATOM 0 HD3 LYS A 83 20.482 22.863 9.671 1.00 0.63 H new ATOM 0 HE2 LYS A 83 22.330 22.279 8.122 1.00 1.44 H new ATOM 0 HE3 LYS A 83 21.079 21.053 8.073 1.00 1.44 H new ATOM 0 HZ1 LYS A 83 22.066 22.394 5.905 1.00 1.79 H new ATOM 0 HZ2 LYS A 83 20.605 21.528 5.935 1.00 1.79 H new ATOM 0 HZ3 LYS A 83 20.603 23.206 6.197 1.00 1.79 H new ATOM 1344 N TYR A 84 15.991 21.232 10.120 1.00 0.41 N ATOM 1345 CA TYR A 84 14.663 21.751 10.550 1.00 0.37 C ATOM 1346 C TYR A 84 13.879 20.848 11.507 1.00 0.37 C ATOM 1347 O TYR A 84 13.452 21.364 12.521 1.00 0.46 O ATOM 1348 CB TYR A 84 13.921 22.005 9.204 1.00 0.32 C ATOM 1349 CG TYR A 84 14.820 22.930 8.366 1.00 0.38 C ATOM 1350 CD1 TYR A 84 15.421 24.007 8.971 1.00 1.06 C ATOM 1351 CD2 TYR A 84 15.063 22.712 7.029 1.00 1.48 C ATOM 1352 CE1 TYR A 84 16.242 24.853 8.293 1.00 0.99 C ATOM 1353 CE2 TYR A 84 15.890 23.567 6.341 1.00 1.57 C ATOM 1354 CZ TYR A 84 16.494 24.642 6.955 1.00 0.53 C ATOM 1355 OH TYR A 84 17.326 25.458 6.221 1.00 0.64 O ATOM 0 H TYR A 84 15.928 20.488 9.425 1.00 0.41 H new ATOM 0 HA TYR A 84 14.775 22.647 11.160 1.00 0.37 H new ATOM 0 HB2 TYR A 84 13.738 21.066 8.681 1.00 0.32 H new ATOM 0 HB3 TYR A 84 12.949 22.466 9.380 1.00 0.32 H new ATOM 0 HD1 TYR A 84 15.235 24.188 10.019 1.00 1.06 H new ATOM 0 HD2 TYR A 84 14.606 21.874 6.524 1.00 1.48 H new ATOM 0 HE1 TYR A 84 16.696 25.690 8.803 1.00 0.99 H new ATOM 0 HE2 TYR A 84 16.071 23.391 5.291 1.00 1.57 H new ATOM 0 HH TYR A 84 18.140 24.966 5.983 1.00 0.64 H new ATOM 1365 N GLY A 85 13.724 19.588 11.179 1.00 0.30 N ATOM 1366 CA GLY A 85 12.956 18.633 12.080 1.00 0.35 C ATOM 1367 C GLY A 85 11.735 19.152 12.907 1.00 0.88 C ATOM 1368 O GLY A 85 11.080 20.123 12.581 1.00 0.82 O ATOM 0 H GLY A 85 14.093 19.167 10.326 1.00 0.30 H new ATOM 0 HA2 GLY A 85 12.600 17.813 11.456 1.00 0.35 H new ATOM 0 HA3 GLY A 85 13.670 18.209 12.786 1.00 0.35 H new ATOM 1372 N ILE A 86 11.456 18.445 13.969 1.00 1.44 N ATOM 1373 CA ILE A 86 10.350 18.742 14.905 1.00 2.05 C ATOM 1374 C ILE A 86 10.726 19.604 16.135 1.00 2.39 C ATOM 1375 O ILE A 86 9.794 20.136 16.715 1.00 2.49 O ATOM 1376 CB ILE A 86 9.918 17.325 15.383 1.00 2.55 C ATOM 1377 CG1 ILE A 86 8.531 17.101 14.923 1.00 2.27 C ATOM 1378 CG2 ILE A 86 10.047 17.028 16.909 1.00 3.44 C ATOM 1379 CD1 ILE A 86 7.501 18.145 15.476 1.00 3.39 C ATOM 1380 OXT ILE A 86 11.894 19.716 16.474 1.00 2.85 O ATOM 0 H ILE A 86 11.993 17.619 14.234 1.00 1.44 H new ATOM 0 HA ILE A 86 9.586 19.336 14.403 1.00 2.05 H new ATOM 0 HB ILE A 86 10.628 16.626 14.941 1.00 2.55 H new ATOM 0 HG12 ILE A 86 8.511 17.128 13.834 1.00 2.27 H new ATOM 0 HG13 ILE A 86 8.216 16.101 15.223 1.00 2.27 H new ATOM 0 HG21 ILE A 86 9.715 16.010 17.111 1.00 3.44 H new ATOM 0 HG22 ILE A 86 11.088 17.137 17.214 1.00 3.44 H new ATOM 0 HG23 ILE A 86 9.429 17.729 17.470 1.00 3.44 H new ATOM 0 HD11 ILE A 86 6.507 17.913 15.094 1.00 3.39 H new ATOM 0 HD12 ILE A 86 7.490 18.103 16.565 1.00 3.39 H new ATOM 0 HD13 ILE A 86 7.789 19.146 15.154 1.00 3.39 H new TER 1392 ILE A 86