USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 708 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.126 USER MOD Single : A 42 GLN : amide:sc= -0.066 K(o=-0.066,f=-1.3) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.896 K(o=0.9,f=-0.033) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc=0.000983 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -164:sc= -0.0716 (180deg=-0.33) USER MOD Single : A 51 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -155:sc= 1.11 (180deg=0.664) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 170:sc= -0.0241 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0.169 USER MOD Single : B 42 GLN : amide:sc= -0.99! C(o=-0.99!,f=-3.1!) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0.559 K(o=0.56,f=-0.67) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 MET CE :methyl -161:sc= -0.18 (180deg=-0.451) USER MOD Single : B 51 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ -118:sc= -0.173 (180deg=-1.36!) USER MOD ----------------------------------------------------------------- ATOM 15 N ARG A 32 -6.560 10.922 -11.127 1.00 0.00 N ATOM 16 CA ARG A 32 -5.766 10.596 -9.933 1.00 0.00 C ATOM 17 C ARG A 32 -4.297 10.356 -10.258 1.00 0.00 C ATOM 18 O ARG A 32 -3.870 9.248 -10.579 1.00 0.00 O ATOM 19 CB ARG A 32 -6.420 9.456 -9.128 1.00 0.00 C ATOM 20 CG ARG A 32 -7.634 9.934 -8.308 1.00 0.00 C ATOM 21 CD ARG A 32 -7.322 11.101 -7.353 1.00 0.00 C ATOM 22 NE ARG A 32 -6.153 10.823 -6.499 1.00 0.00 N ATOM 23 CZ ARG A 32 -5.602 11.634 -5.612 1.00 0.00 C ATOM 24 NH1 ARG A 32 -6.027 12.853 -5.435 1.00 0.00 N ATOM 25 NH2 ARG A 32 -4.606 11.239 -4.878 1.00 0.00 N ATOM 0 HA ARG A 32 -5.766 11.470 -9.282 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.735 8.667 -9.811 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.681 9.019 -8.456 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.425 10.240 -8.993 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.021 9.096 -7.728 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.139 12.005 -7.934 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.191 11.297 -6.725 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.722 9.904 -6.604 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.807 13.207 -5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.580 13.453 -4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.240 10.293 -4.982 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.190 11.875 -4.198 1.00 0.00 H new ATOM 39 N ALA A 33 -3.539 11.441 -10.123 1.00 0.00 N ATOM 40 CA ALA A 33 -2.093 11.498 -9.960 1.00 0.00 C ATOM 41 C ALA A 33 -1.617 10.597 -8.800 1.00 0.00 C ATOM 42 O ALA A 33 -2.007 10.809 -7.647 1.00 0.00 O ATOM 43 CB ALA A 33 -1.763 12.971 -9.686 1.00 0.00 C ATOM 0 H ALA A 33 -3.953 12.373 -10.125 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.582 11.131 -10.850 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.687 13.084 -9.553 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.091 13.580 -10.528 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.276 13.297 -8.781 1.00 0.00 H new ATOM 49 N VAL A 34 -0.800 9.584 -9.096 1.00 0.00 N ATOM 50 CA VAL A 34 -0.337 8.551 -8.152 1.00 0.00 C ATOM 51 C VAL A 34 1.124 8.219 -8.427 1.00 0.00 C ATOM 52 O VAL A 34 1.434 7.477 -9.353 1.00 0.00 O ATOM 53 CB VAL A 34 -1.244 7.307 -8.224 1.00 0.00 C ATOM 54 CG1 VAL A 34 -0.702 6.103 -7.452 1.00 0.00 C ATOM 55 CG2 VAL A 34 -2.626 7.619 -7.626 1.00 0.00 C ATOM 0 H VAL A 34 -0.425 9.451 -10.035 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.403 8.932 -7.133 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.294 7.056 -9.284 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.394 5.267 -7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.269 5.819 -7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.594 6.364 -6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.256 6.731 -7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.513 7.917 -6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.090 8.430 -8.187 1.00 0.00 H new ATOM 65 N SER A 35 2.029 8.798 -7.641 1.00 0.00 N ATOM 66 CA SER A 35 3.483 8.690 -7.813 1.00 0.00 C ATOM 67 C SER A 35 4.155 7.940 -6.658 1.00 0.00 C ATOM 68 O SER A 35 4.071 8.367 -5.503 1.00 0.00 O ATOM 69 CB SER A 35 4.080 10.082 -8.003 1.00 0.00 C ATOM 70 OG SER A 35 5.472 10.013 -8.275 1.00 0.00 O ATOM 0 H SER A 35 1.767 9.374 -6.841 1.00 0.00 H new ATOM 0 HA SER A 35 3.675 8.096 -8.707 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.572 10.589 -8.823 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.912 10.678 -7.106 1.00 0.00 H new ATOM 0 HG SER A 35 5.827 10.919 -8.394 1.00 0.00 H new ATOM 76 N LEU A 36 4.805 6.816 -6.973 1.00 0.00 N ATOM 77 CA LEU A 36 5.488 5.906 -6.053 1.00 0.00 C ATOM 78 C LEU A 36 6.972 5.721 -6.422 1.00 0.00 C ATOM 79 O LEU A 36 7.444 6.126 -7.489 1.00 0.00 O ATOM 80 CB LEU A 36 4.747 4.544 -6.014 1.00 0.00 C ATOM 81 CG LEU A 36 3.413 4.459 -5.240 1.00 0.00 C ATOM 82 CD1 LEU A 36 3.470 5.160 -3.882 1.00 0.00 C ATOM 83 CD2 LEU A 36 2.215 4.985 -6.024 1.00 0.00 C ATOM 0 H LEU A 36 4.872 6.498 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 36 5.466 6.350 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.554 4.241 -7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.427 3.807 -5.586 1.00 0.00 H new ATOM 0 HG LEU A 36 3.269 3.390 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.505 5.067 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.242 4.698 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.704 6.215 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.314 4.893 -5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.377 6.033 -6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.096 4.405 -6.939 1.00 0.00 H new ATOM 95 N TYR A 37 7.702 5.084 -5.504 1.00 0.00 N ATOM 96 CA TYR A 37 9.162 5.033 -5.449 1.00 0.00 C ATOM 97 C TYR A 37 9.637 3.578 -5.321 1.00 0.00 C ATOM 98 O TYR A 37 9.889 3.073 -4.225 1.00 0.00 O ATOM 99 CB TYR A 37 9.634 5.954 -4.310 1.00 0.00 C ATOM 100 CG TYR A 37 9.113 7.377 -4.443 1.00 0.00 C ATOM 101 CD1 TYR A 37 9.715 8.264 -5.356 1.00 0.00 C ATOM 102 CD2 TYR A 37 7.971 7.783 -3.721 1.00 0.00 C ATOM 103 CE1 TYR A 37 9.193 9.560 -5.534 1.00 0.00 C ATOM 104 CE2 TYR A 37 7.432 9.070 -3.913 1.00 0.00 C ATOM 105 CZ TYR A 37 8.048 9.965 -4.814 1.00 0.00 C ATOM 106 OH TYR A 37 7.525 11.209 -4.988 1.00 0.00 O ATOM 0 H TYR A 37 7.268 4.564 -4.741 1.00 0.00 H new ATOM 0 HA TYR A 37 9.611 5.401 -6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.306 5.540 -3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.724 5.972 -4.292 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.580 7.950 -5.922 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.509 7.105 -3.019 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.669 10.244 -6.221 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.548 9.372 -3.371 1.00 0.00 H new ATOM 0 HH TYR A 37 6.738 11.316 -4.414 1.00 0.00 H new ATOM 116 N PHE A 38 9.669 2.874 -6.455 1.00 0.00 N ATOM 117 CA PHE A 38 10.123 1.496 -6.601 1.00 0.00 C ATOM 118 C PHE A 38 11.660 1.425 -6.535 1.00 0.00 C ATOM 119 O PHE A 38 12.335 2.450 -6.642 1.00 0.00 O ATOM 120 CB PHE A 38 9.609 1.015 -7.969 1.00 0.00 C ATOM 121 CG PHE A 38 8.165 0.524 -8.015 1.00 0.00 C ATOM 122 CD1 PHE A 38 7.098 1.296 -7.506 1.00 0.00 C ATOM 123 CD2 PHE A 38 7.878 -0.706 -8.637 1.00 0.00 C ATOM 124 CE1 PHE A 38 5.772 0.834 -7.606 1.00 0.00 C ATOM 125 CE2 PHE A 38 6.555 -1.176 -8.715 1.00 0.00 C ATOM 126 CZ PHE A 38 5.500 -0.410 -8.198 1.00 0.00 C ATOM 0 H PHE A 38 9.362 3.275 -7.341 1.00 0.00 H new ATOM 0 HA PHE A 38 9.743 0.865 -5.798 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.715 1.833 -8.681 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.256 0.208 -8.313 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.301 2.247 -7.037 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.681 -1.293 -9.058 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.961 1.438 -7.226 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.350 -2.131 -9.175 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.485 -0.775 -8.255 1.00 0.00 H new ATOM 136 N SER A 39 12.230 0.221 -6.420 1.00 0.00 N ATOM 137 CA SER A 39 13.679 0.026 -6.582 1.00 0.00 C ATOM 138 C SER A 39 14.050 -0.392 -7.997 1.00 0.00 C ATOM 139 O SER A 39 13.183 -0.749 -8.797 1.00 0.00 O ATOM 140 CB SER A 39 14.235 -0.956 -5.545 1.00 0.00 C ATOM 141 OG SER A 39 13.972 -2.301 -5.909 1.00 0.00 O ATOM 0 H SER A 39 11.713 -0.634 -6.216 1.00 0.00 H new ATOM 0 HA SER A 39 14.147 0.994 -6.405 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.310 -0.809 -5.443 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.791 -0.748 -4.571 1.00 0.00 H new ATOM 0 HG SER A 39 14.341 -2.902 -5.228 1.00 0.00 H new ATOM 147 N ASP A 40 15.349 -0.376 -8.308 1.00 0.00 N ATOM 148 CA ASP A 40 15.876 -0.881 -9.574 1.00 0.00 C ATOM 149 C ASP A 40 15.416 -2.321 -9.840 1.00 0.00 C ATOM 150 O ASP A 40 15.000 -2.624 -10.953 1.00 0.00 O ATOM 151 CB ASP A 40 17.408 -0.784 -9.596 1.00 0.00 C ATOM 152 CG ASP A 40 17.888 0.675 -9.570 1.00 0.00 C ATOM 153 OD1 ASP A 40 17.921 1.320 -10.645 1.00 0.00 O ATOM 154 OD2 ASP A 40 18.233 1.178 -8.474 1.00 0.00 O ATOM 0 H ASP A 40 16.067 -0.010 -7.683 1.00 0.00 H new ATOM 0 HA ASP A 40 15.478 -0.257 -10.374 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.818 -1.317 -8.738 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.791 -1.277 -10.490 1.00 0.00 H new ATOM 159 N GLU A 41 15.411 -3.193 -8.826 1.00 0.00 N ATOM 160 CA GLU A 41 14.888 -4.562 -8.909 1.00 0.00 C ATOM 161 C GLU A 41 13.399 -4.591 -9.249 1.00 0.00 C ATOM 162 O GLU A 41 12.999 -5.234 -10.221 1.00 0.00 O ATOM 163 CB GLU A 41 15.095 -5.287 -7.573 1.00 0.00 C ATOM 164 CG GLU A 41 16.570 -5.483 -7.206 1.00 0.00 C ATOM 165 CD GLU A 41 17.099 -6.894 -7.583 1.00 0.00 C ATOM 166 OE1 GLU A 41 16.690 -7.454 -8.634 1.00 0.00 O ATOM 167 OE2 GLU A 41 17.940 -7.440 -6.822 1.00 0.00 O ATOM 0 H GLU A 41 15.779 -2.962 -7.903 1.00 0.00 H new ATOM 0 HA GLU A 41 15.436 -5.062 -9.708 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.604 -4.721 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.607 -6.261 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.170 -4.727 -7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.698 -5.326 -6.135 1.00 0.00 H new ATOM 174 N GLN A 42 12.576 -3.898 -8.451 1.00 0.00 N ATOM 175 CA GLN A 42 11.122 -3.869 -8.666 1.00 0.00 C ATOM 176 C GLN A 42 10.784 -3.337 -10.075 1.00 0.00 C ATOM 177 O GLN A 42 9.946 -3.909 -10.772 1.00 0.00 O ATOM 178 CB GLN A 42 10.386 -3.067 -7.577 1.00 0.00 C ATOM 179 CG GLN A 42 10.670 -3.452 -6.115 1.00 0.00 C ATOM 180 CD GLN A 42 10.585 -4.946 -5.812 1.00 0.00 C ATOM 181 OE1 GLN A 42 9.523 -5.511 -5.609 1.00 0.00 O ATOM 182 NE2 GLN A 42 11.699 -5.642 -5.730 1.00 0.00 N ATOM 0 H GLN A 42 12.892 -3.350 -7.651 1.00 0.00 H new ATOM 0 HA GLN A 42 10.767 -4.897 -8.594 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.636 -2.014 -7.705 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.314 -3.164 -7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.666 -3.099 -5.849 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.964 -2.926 -5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.597 -5.188 -5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.664 -6.635 -5.500 1.00 0.00 H new ATOM 191 N TYR A 43 11.481 -2.292 -10.536 1.00 0.00 N ATOM 192 CA TYR A 43 11.319 -1.722 -11.881 1.00 0.00 C ATOM 193 C TYR A 43 11.699 -2.707 -12.987 1.00 0.00 C ATOM 194 O TYR A 43 10.977 -2.885 -13.964 1.00 0.00 O ATOM 195 CB TYR A 43 12.201 -0.480 -12.015 1.00 0.00 C ATOM 196 CG TYR A 43 11.681 0.523 -13.028 1.00 0.00 C ATOM 197 CD1 TYR A 43 10.662 1.427 -12.663 1.00 0.00 C ATOM 198 CD2 TYR A 43 12.205 0.543 -14.334 1.00 0.00 C ATOM 199 CE1 TYR A 43 10.181 2.362 -13.601 1.00 0.00 C ATOM 200 CE2 TYR A 43 11.718 1.468 -15.278 1.00 0.00 C ATOM 201 CZ TYR A 43 10.703 2.383 -14.912 1.00 0.00 C ATOM 202 OH TYR A 43 10.234 3.286 -15.815 1.00 0.00 O ATOM 0 H TYR A 43 12.185 -1.810 -9.977 1.00 0.00 H new ATOM 0 HA TYR A 43 10.264 -1.474 -11.998 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.282 0.006 -11.043 1.00 0.00 H new ATOM 0 HB3 TYR A 43 13.207 -0.787 -12.302 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.250 1.403 -11.665 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.983 -0.153 -14.613 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.411 3.064 -13.316 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.119 1.479 -16.281 1.00 0.00 H new ATOM 0 HH TYR A 43 10.700 3.167 -16.669 1.00 0.00 H new ATOM 212 N GLN A 44 12.850 -3.353 -12.827 1.00 0.00 N ATOM 213 CA GLN A 44 13.362 -4.336 -13.784 1.00 0.00 C ATOM 214 C GLN A 44 12.475 -5.580 -13.888 1.00 0.00 C ATOM 215 O GLN A 44 12.281 -6.085 -14.991 1.00 0.00 O ATOM 216 CB GLN A 44 14.824 -4.718 -13.485 1.00 0.00 C ATOM 217 CG GLN A 44 15.830 -4.024 -14.420 1.00 0.00 C ATOM 218 CD GLN A 44 15.677 -2.509 -14.578 1.00 0.00 C ATOM 219 OE1 GLN A 44 15.572 -1.982 -15.677 1.00 0.00 O ATOM 220 NE2 GLN A 44 15.679 -1.738 -13.515 1.00 0.00 N ATOM 0 H GLN A 44 13.461 -3.210 -12.023 1.00 0.00 H new ATOM 0 HA GLN A 44 13.337 -3.849 -14.759 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.058 -4.459 -12.452 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.937 -5.798 -13.576 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.836 -4.230 -14.053 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.751 -4.480 -15.407 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.765 -2.150 -12.586 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.594 -0.727 -13.618 1.00 0.00 H new ATOM 229 N LYS A 45 11.871 -6.053 -12.793 1.00 0.00 N ATOM 230 CA LYS A 45 10.835 -7.088 -12.817 1.00 0.00 C ATOM 231 C LYS A 45 9.614 -6.655 -13.639 1.00 0.00 C ATOM 232 O LYS A 45 9.110 -7.449 -14.434 1.00 0.00 O ATOM 233 CB LYS A 45 10.470 -7.445 -11.371 1.00 0.00 C ATOM 234 CG LYS A 45 11.137 -8.732 -10.855 1.00 0.00 C ATOM 235 CD LYS A 45 12.658 -8.598 -10.659 1.00 0.00 C ATOM 236 CE LYS A 45 13.263 -9.896 -10.105 1.00 0.00 C ATOM 237 NZ LYS A 45 14.729 -9.787 -9.859 1.00 0.00 N ATOM 0 H LYS A 45 12.092 -5.723 -11.853 1.00 0.00 H new ATOM 0 HA LYS A 45 11.219 -7.978 -13.316 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.752 -6.617 -10.721 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.388 -7.554 -11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.680 -9.014 -9.907 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.939 -9.542 -11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.130 -8.351 -11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.868 -7.775 -9.976 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.761 -10.158 -9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.076 -10.708 -10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.034 -10.559 -9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.239 -9.853 -10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.939 -8.873 -9.409 1.00 0.00 H new ATOM 251 N LEU A 46 9.176 -5.396 -13.521 1.00 0.00 N ATOM 252 CA LEU A 46 8.121 -4.838 -14.367 1.00 0.00 C ATOM 253 C LEU A 46 8.526 -4.733 -15.839 1.00 0.00 C ATOM 254 O LEU A 46 7.749 -5.124 -16.700 1.00 0.00 O ATOM 255 CB LEU A 46 7.705 -3.484 -13.799 1.00 0.00 C ATOM 256 CG LEU A 46 6.579 -3.525 -12.763 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.202 -3.623 -13.429 1.00 0.00 C ATOM 258 CD2 LEU A 46 6.662 -4.621 -11.707 1.00 0.00 C ATOM 0 H LEU A 46 9.545 -4.737 -12.835 1.00 0.00 H new ATOM 0 HA LEU A 46 7.272 -5.522 -14.353 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.578 -3.016 -13.344 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.394 -2.843 -14.624 1.00 0.00 H new ATOM 0 HG LEU A 46 6.715 -2.579 -12.239 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.428 -3.650 -12.662 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.046 -2.757 -14.072 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.151 -4.532 -14.028 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.808 -4.543 -11.034 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.653 -5.596 -12.193 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.585 -4.508 -11.137 1.00 0.00 H new ATOM 270 N GLU A 47 9.737 -4.272 -16.150 1.00 0.00 N ATOM 271 CA GLU A 47 10.285 -4.297 -17.516 1.00 0.00 C ATOM 272 C GLU A 47 10.339 -5.718 -18.101 1.00 0.00 C ATOM 273 O GLU A 47 9.954 -5.940 -19.251 1.00 0.00 O ATOM 274 CB GLU A 47 11.665 -3.634 -17.536 1.00 0.00 C ATOM 275 CG GLU A 47 12.238 -3.497 -18.952 1.00 0.00 C ATOM 276 CD GLU A 47 11.563 -2.394 -19.788 1.00 0.00 C ATOM 277 OE1 GLU A 47 12.021 -1.225 -19.734 1.00 0.00 O ATOM 278 OE2 GLU A 47 10.597 -2.699 -20.524 1.00 0.00 O ATOM 0 H GLU A 47 10.373 -3.868 -15.462 1.00 0.00 H new ATOM 0 HA GLU A 47 9.610 -3.729 -18.156 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.595 -2.646 -17.080 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.353 -4.219 -16.926 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.305 -3.287 -18.884 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.133 -4.450 -19.471 1.00 0.00 H new ATOM 285 N LYS A 48 10.780 -6.705 -17.313 1.00 0.00 N ATOM 286 CA LYS A 48 10.911 -8.101 -17.748 1.00 0.00 C ATOM 287 C LYS A 48 9.559 -8.766 -18.025 1.00 0.00 C ATOM 288 O LYS A 48 9.477 -9.639 -18.890 1.00 0.00 O ATOM 289 CB LYS A 48 11.769 -8.896 -16.749 1.00 0.00 C ATOM 290 CG LYS A 48 13.257 -8.552 -16.943 1.00 0.00 C ATOM 291 CD LYS A 48 14.151 -9.232 -15.900 1.00 0.00 C ATOM 292 CE LYS A 48 15.618 -8.876 -16.177 1.00 0.00 C ATOM 293 NZ LYS A 48 16.543 -9.572 -15.242 1.00 0.00 N ATOM 0 H LYS A 48 11.059 -6.555 -16.343 1.00 0.00 H new ATOM 0 HA LYS A 48 11.430 -8.101 -18.707 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.463 -8.663 -15.729 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.613 -9.965 -16.893 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.571 -8.856 -17.941 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.389 -7.472 -16.883 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.870 -8.909 -14.898 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.014 -10.313 -15.937 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.869 -9.144 -17.203 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.753 -7.798 -16.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.524 -9.305 -15.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.320 -9.297 -14.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.432 -10.601 -15.346 1.00 0.00 H new ATOM 307 N MET A 49 8.487 -8.307 -17.376 1.00 0.00 N ATOM 308 CA MET A 49 7.109 -8.574 -17.751 1.00 0.00 C ATOM 309 C MET A 49 6.691 -7.781 -19.001 1.00 0.00 C ATOM 310 O MET A 49 6.170 -8.357 -19.953 1.00 0.00 O ATOM 311 CB MET A 49 6.235 -8.187 -16.562 1.00 0.00 C ATOM 312 CG MET A 49 6.087 -9.299 -15.523 1.00 0.00 C ATOM 313 SD MET A 49 4.657 -9.083 -14.427 1.00 0.00 S ATOM 314 CE MET A 49 4.954 -7.406 -13.824 1.00 0.00 C ATOM 0 H MET A 49 8.564 -7.719 -16.546 1.00 0.00 H new ATOM 0 HA MET A 49 6.994 -9.629 -18.000 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.660 -7.306 -16.081 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.246 -7.906 -16.925 1.00 0.00 H new ATOM 0 HG2 MET A 49 5.999 -10.256 -16.037 1.00 0.00 H new ATOM 0 HG3 MET A 49 6.993 -9.344 -14.919 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.342 -7.223 -12.941 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.007 -7.293 -13.566 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.692 -6.688 -14.601 1.00 0.00 H new ATOM 324 N ALA A 50 6.940 -6.469 -19.025 1.00 0.00 N ATOM 325 CA ALA A 50 6.565 -5.548 -20.093 1.00 0.00 C ATOM 326 C ALA A 50 7.145 -5.914 -21.464 1.00 0.00 C ATOM 327 O ALA A 50 6.501 -5.645 -22.473 1.00 0.00 O ATOM 328 CB ALA A 50 6.931 -4.126 -19.673 1.00 0.00 C ATOM 0 H ALA A 50 7.432 -6.002 -18.263 1.00 0.00 H new ATOM 0 HA ALA A 50 5.486 -5.623 -20.232 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.654 -3.430 -20.465 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.396 -3.867 -18.759 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.004 -4.064 -19.494 1.00 0.00 H new ATOM 334 N ASN A 51 8.294 -6.586 -21.532 1.00 0.00 N ATOM 335 CA ASN A 51 8.849 -7.138 -22.770 1.00 0.00 C ATOM 336 C ASN A 51 7.906 -8.154 -23.457 1.00 0.00 C ATOM 337 O ASN A 51 7.924 -8.271 -24.681 1.00 0.00 O ATOM 338 CB ASN A 51 10.229 -7.728 -22.449 1.00 0.00 C ATOM 339 CG ASN A 51 10.903 -8.399 -23.640 1.00 0.00 C ATOM 340 OD1 ASN A 51 11.231 -9.577 -23.606 1.00 0.00 O ATOM 341 ND2 ASN A 51 11.150 -7.692 -24.718 1.00 0.00 N ATOM 0 H ASN A 51 8.876 -6.766 -20.714 1.00 0.00 H new ATOM 0 HA ASN A 51 8.956 -6.339 -23.504 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.876 -6.933 -22.077 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.124 -8.456 -21.645 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.612 -8.126 -25.518 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.880 -6.709 -24.756 1.00 0.00 H new ATOM 348 N GLU A 52 7.023 -8.826 -22.710 1.00 0.00 N ATOM 349 CA GLU A 52 5.969 -9.687 -23.266 1.00 0.00 C ATOM 350 C GLU A 52 4.873 -8.885 -24.006 1.00 0.00 C ATOM 351 O GLU A 52 4.299 -9.357 -24.987 1.00 0.00 O ATOM 352 CB GLU A 52 5.366 -10.565 -22.152 1.00 0.00 C ATOM 353 CG GLU A 52 4.560 -11.746 -22.708 1.00 0.00 C ATOM 354 CD GLU A 52 4.088 -12.687 -21.582 1.00 0.00 C ATOM 355 OE1 GLU A 52 4.875 -13.567 -21.151 1.00 0.00 O ATOM 356 OE2 GLU A 52 2.920 -12.575 -21.136 1.00 0.00 O ATOM 0 H GLU A 52 7.019 -8.788 -21.691 1.00 0.00 H new ATOM 0 HA GLU A 52 6.430 -10.330 -24.015 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.168 -10.943 -21.517 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.721 -9.954 -21.521 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.696 -11.372 -23.257 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.172 -12.304 -23.417 1.00 0.00 H new ATOM 363 N GLU A 53 4.629 -7.641 -23.577 1.00 0.00 N ATOM 364 CA GLU A 53 3.759 -6.641 -24.223 1.00 0.00 C ATOM 365 C GLU A 53 4.549 -5.709 -25.181 1.00 0.00 C ATOM 366 O GLU A 53 3.985 -4.814 -25.812 1.00 0.00 O ATOM 367 CB GLU A 53 3.032 -5.868 -23.103 1.00 0.00 C ATOM 368 CG GLU A 53 1.785 -5.063 -23.505 1.00 0.00 C ATOM 369 CD GLU A 53 0.670 -5.958 -24.084 1.00 0.00 C ATOM 370 OE1 GLU A 53 -0.109 -6.553 -23.301 1.00 0.00 O ATOM 371 OE2 GLU A 53 0.548 -6.061 -25.330 1.00 0.00 O ATOM 0 H GLU A 53 5.055 -7.282 -22.723 1.00 0.00 H new ATOM 0 HA GLU A 53 3.026 -7.135 -24.861 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.740 -6.582 -22.333 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.746 -5.182 -22.647 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.404 -4.530 -22.634 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.064 -4.311 -24.243 1.00 0.00 H new ATOM 378 N GLU A 54 5.858 -5.948 -25.325 1.00 0.00 N ATOM 379 CA GLU A 54 6.832 -5.230 -26.163 1.00 0.00 C ATOM 380 C GLU A 54 7.160 -3.814 -25.630 1.00 0.00 C ATOM 381 O GLU A 54 7.164 -2.819 -26.357 1.00 0.00 O ATOM 382 CB GLU A 54 6.437 -5.304 -27.654 1.00 0.00 C ATOM 383 CG GLU A 54 7.661 -5.208 -28.570 1.00 0.00 C ATOM 384 CD GLU A 54 7.244 -5.223 -30.053 1.00 0.00 C ATOM 385 OE1 GLU A 54 7.120 -6.324 -30.646 1.00 0.00 O ATOM 386 OE2 GLU A 54 7.047 -4.135 -30.650 1.00 0.00 O ATOM 0 H GLU A 54 6.303 -6.712 -24.817 1.00 0.00 H new ATOM 0 HA GLU A 54 7.790 -5.745 -26.092 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.912 -6.240 -27.845 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.744 -4.496 -27.887 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.211 -4.293 -28.353 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.336 -6.041 -28.370 1.00 0.00 H new ATOM 393 N GLU A 55 7.473 -3.758 -24.330 1.00 0.00 N ATOM 394 CA GLU A 55 7.889 -2.616 -23.503 1.00 0.00 C ATOM 395 C GLU A 55 6.820 -1.513 -23.341 1.00 0.00 C ATOM 396 O GLU A 55 6.555 -0.705 -24.235 1.00 0.00 O ATOM 397 CB GLU A 55 9.254 -2.048 -23.912 1.00 0.00 C ATOM 398 CG GLU A 55 10.410 -3.064 -23.936 1.00 0.00 C ATOM 399 CD GLU A 55 10.513 -3.852 -25.255 1.00 0.00 C ATOM 400 OE1 GLU A 55 10.907 -3.264 -26.292 1.00 0.00 O ATOM 401 OE2 GLU A 55 10.261 -5.080 -25.244 1.00 0.00 O ATOM 0 H GLU A 55 7.437 -4.608 -23.767 1.00 0.00 H new ATOM 0 HA GLU A 55 8.006 -3.040 -22.506 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.162 -1.604 -24.903 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.514 -1.243 -23.225 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.349 -2.537 -23.763 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.282 -3.766 -23.112 1.00 0.00 H new ATOM 408 N SER A 56 6.199 -1.490 -22.160 1.00 0.00 N ATOM 409 CA SER A 56 5.027 -0.678 -21.783 1.00 0.00 C ATOM 410 C SER A 56 5.048 -0.286 -20.293 1.00 0.00 C ATOM 411 O SER A 56 4.000 -0.062 -19.677 1.00 0.00 O ATOM 412 CB SER A 56 3.745 -1.448 -22.137 1.00 0.00 C ATOM 413 OG SER A 56 3.729 -2.720 -21.508 1.00 0.00 O ATOM 0 H SER A 56 6.518 -2.074 -21.387 1.00 0.00 H new ATOM 0 HA SER A 56 5.057 0.255 -22.346 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.873 -0.873 -21.826 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.677 -1.571 -23.218 1.00 0.00 H new ATOM 0 HG SER A 56 2.904 -3.192 -21.746 1.00 0.00 H new ATOM 419 N VAL A 57 6.242 -0.250 -19.680 1.00 0.00 N ATOM 420 CA VAL A 57 6.424 -0.073 -18.228 1.00 0.00 C ATOM 421 C VAL A 57 5.733 1.216 -17.752 1.00 0.00 C ATOM 422 O VAL A 57 6.011 2.301 -18.267 1.00 0.00 O ATOM 423 CB VAL A 57 7.900 -0.050 -17.789 1.00 0.00 C ATOM 424 CG1 VAL A 57 7.996 -0.098 -16.259 1.00 0.00 C ATOM 425 CG2 VAL A 57 8.636 -1.280 -18.302 1.00 0.00 C ATOM 0 H VAL A 57 7.123 -0.344 -20.186 1.00 0.00 H new ATOM 0 HA VAL A 57 5.965 -0.945 -17.763 1.00 0.00 H new ATOM 0 HB VAL A 57 8.341 0.863 -18.190 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.044 -0.081 -15.959 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.484 0.766 -15.835 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.529 -1.013 -15.894 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.677 -1.242 -17.980 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.165 -2.178 -17.903 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.594 -1.301 -19.391 1.00 0.00 H new ATOM 435 N GLY A 58 4.805 1.096 -16.801 1.00 0.00 N ATOM 436 CA GLY A 58 3.909 2.173 -16.352 1.00 0.00 C ATOM 437 C GLY A 58 2.452 1.826 -16.643 1.00 0.00 C ATOM 438 O GLY A 58 1.639 1.677 -15.729 1.00 0.00 O ATOM 0 H GLY A 58 4.648 0.220 -16.303 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.041 2.339 -15.283 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.173 3.104 -16.854 1.00 0.00 H new ATOM 442 N SER A 59 2.143 1.594 -17.919 1.00 0.00 N ATOM 443 CA SER A 59 0.860 1.030 -18.355 1.00 0.00 C ATOM 444 C SER A 59 0.681 -0.393 -17.827 1.00 0.00 C ATOM 445 O SER A 59 -0.363 -0.706 -17.259 1.00 0.00 O ATOM 446 CB SER A 59 0.776 1.047 -19.882 1.00 0.00 C ATOM 447 OG SER A 59 -0.519 0.691 -20.335 1.00 0.00 O ATOM 0 H SER A 59 2.781 1.794 -18.689 1.00 0.00 H new ATOM 0 HA SER A 59 0.056 1.643 -17.948 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.031 2.041 -20.250 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.510 0.356 -20.296 1.00 0.00 H new ATOM 0 HG SER A 59 -0.540 0.713 -21.315 1.00 0.00 H new ATOM 453 N TYR A 60 1.728 -1.226 -17.906 1.00 0.00 N ATOM 454 CA TYR A 60 1.743 -2.580 -17.334 1.00 0.00 C ATOM 455 C TYR A 60 1.412 -2.588 -15.833 1.00 0.00 C ATOM 456 O TYR A 60 0.631 -3.414 -15.365 1.00 0.00 O ATOM 457 CB TYR A 60 3.114 -3.231 -17.577 1.00 0.00 C ATOM 458 CG TYR A 60 3.050 -4.743 -17.703 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.809 -5.554 -16.575 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.217 -5.339 -18.966 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.710 -6.953 -16.716 1.00 0.00 C ATOM 462 CE2 TYR A 60 3.173 -6.738 -19.104 1.00 0.00 C ATOM 463 CZ TYR A 60 2.891 -7.550 -17.985 1.00 0.00 C ATOM 464 OH TYR A 60 2.831 -8.901 -18.128 1.00 0.00 O ATOM 0 H TYR A 60 2.599 -0.976 -18.374 1.00 0.00 H new ATOM 0 HA TYR A 60 0.965 -3.155 -17.835 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.549 -2.816 -18.486 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.782 -2.970 -16.756 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.700 -5.102 -15.600 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.380 -4.719 -19.835 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.496 -7.569 -15.855 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.355 -7.191 -20.067 1.00 0.00 H new ATOM 0 HH TYR A 60 2.977 -9.137 -19.068 1.00 0.00 H new ATOM 474 N ILE A 61 1.977 -1.630 -15.087 1.00 0.00 N ATOM 475 CA ILE A 61 1.753 -1.445 -13.640 1.00 0.00 C ATOM 476 C ILE A 61 0.264 -1.230 -13.379 1.00 0.00 C ATOM 477 O ILE A 61 -0.340 -1.963 -12.589 1.00 0.00 O ATOM 478 CB ILE A 61 2.572 -0.266 -13.049 1.00 0.00 C ATOM 479 CG1 ILE A 61 4.072 -0.353 -13.388 1.00 0.00 C ATOM 480 CG2 ILE A 61 2.402 -0.194 -11.518 1.00 0.00 C ATOM 481 CD1 ILE A 61 4.853 0.904 -13.013 1.00 0.00 C ATOM 0 H ILE A 61 2.620 -0.942 -15.480 1.00 0.00 H new ATOM 0 HA ILE A 61 2.098 -2.350 -13.139 1.00 0.00 H new ATOM 0 HB ILE A 61 2.177 0.639 -13.510 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.505 -1.209 -12.870 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.185 -0.537 -14.456 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.985 0.640 -11.126 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.350 -0.047 -11.275 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.751 -1.124 -11.069 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.902 0.774 -13.279 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.445 1.760 -13.551 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.770 1.077 -11.940 1.00 0.00 H new ATOM 493 N LYS A 62 -0.344 -0.261 -14.080 1.00 0.00 N ATOM 494 CA LYS A 62 -1.781 0.006 -13.958 1.00 0.00 C ATOM 495 C LYS A 62 -2.592 -1.232 -14.342 1.00 0.00 C ATOM 496 O LYS A 62 -3.438 -1.691 -13.583 1.00 0.00 O ATOM 497 CB LYS A 62 -2.191 1.224 -14.810 1.00 0.00 C ATOM 498 CG LYS A 62 -3.378 1.966 -14.169 1.00 0.00 C ATOM 499 CD LYS A 62 -4.095 2.930 -15.127 1.00 0.00 C ATOM 500 CE LYS A 62 -3.148 3.957 -15.762 1.00 0.00 C ATOM 501 NZ LYS A 62 -3.889 4.942 -16.597 1.00 0.00 N ATOM 0 H LYS A 62 0.140 0.350 -14.738 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.997 0.243 -12.916 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.345 1.903 -14.912 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.461 0.897 -15.814 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.096 1.234 -13.800 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.021 2.526 -13.305 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.581 2.356 -15.916 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.881 3.455 -14.585 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.601 4.482 -14.979 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.410 3.441 -16.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.252 5.333 -17.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.691 4.470 -17.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.242 5.712 -15.994 1.00 0.00 H new ATOM 515 N ARG A 63 -2.292 -1.817 -15.503 1.00 0.00 N ATOM 516 CA ARG A 63 -2.976 -2.982 -16.079 1.00 0.00 C ATOM 517 C ARG A 63 -2.998 -4.174 -15.129 1.00 0.00 C ATOM 518 O ARG A 63 -4.021 -4.849 -15.068 1.00 0.00 O ATOM 519 CB ARG A 63 -2.342 -3.335 -17.441 1.00 0.00 C ATOM 520 CG ARG A 63 -3.078 -4.447 -18.210 1.00 0.00 C ATOM 521 CD ARG A 63 -4.487 -4.023 -18.648 1.00 0.00 C ATOM 522 NE ARG A 63 -5.226 -5.139 -19.268 1.00 0.00 N ATOM 523 CZ ARG A 63 -5.995 -6.029 -18.666 1.00 0.00 C ATOM 524 NH1 ARG A 63 -6.114 -6.088 -17.369 1.00 0.00 N ATOM 525 NH2 ARG A 63 -6.669 -6.892 -19.369 1.00 0.00 N ATOM 0 H ARG A 63 -1.533 -1.479 -16.095 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.021 -2.718 -16.240 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.314 -2.438 -18.060 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.309 -3.643 -17.279 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.495 -4.724 -19.089 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.148 -5.335 -17.581 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.041 -3.655 -17.784 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.415 -3.197 -19.356 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.132 -5.235 -20.279 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.603 -5.431 -16.780 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.719 -6.791 -16.944 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.604 -6.882 -20.387 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.262 -7.578 -18.902 1.00 0.00 H new ATOM 539 N TYR A 64 -1.935 -4.403 -14.356 1.00 0.00 N ATOM 540 CA TYR A 64 -1.844 -5.486 -13.372 1.00 0.00 C ATOM 541 C TYR A 64 -2.761 -5.268 -12.162 1.00 0.00 C ATOM 542 O TYR A 64 -3.464 -6.172 -11.720 1.00 0.00 O ATOM 543 CB TYR A 64 -0.396 -5.622 -12.896 1.00 0.00 C ATOM 544 CG TYR A 64 -0.085 -7.020 -12.395 1.00 0.00 C ATOM 545 CD1 TYR A 64 -0.444 -7.402 -11.086 1.00 0.00 C ATOM 546 CD2 TYR A 64 0.482 -7.966 -13.270 1.00 0.00 C ATOM 547 CE1 TYR A 64 -0.261 -8.732 -10.662 1.00 0.00 C ATOM 548 CE2 TYR A 64 0.680 -9.294 -12.845 1.00 0.00 C ATOM 549 CZ TYR A 64 0.299 -9.684 -11.543 1.00 0.00 C ATOM 550 OH TYR A 64 0.452 -10.980 -11.154 1.00 0.00 O ATOM 0 H TYR A 64 -1.093 -3.828 -14.397 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.174 -6.399 -13.867 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.279 -5.373 -13.715 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.208 -4.902 -12.099 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.860 -6.673 -10.407 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.766 -7.673 -14.270 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.549 -9.025 -9.663 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.124 -10.015 -13.516 1.00 0.00 H new ATOM 0 HH TYR A 64 0.852 -11.496 -11.885 1.00 0.00 H new ATOM 560 N ILE A 65 -2.782 -4.039 -11.651 1.00 0.00 N ATOM 561 CA ILE A 65 -3.699 -3.584 -10.593 1.00 0.00 C ATOM 562 C ILE A 65 -5.151 -3.718 -11.065 1.00 0.00 C ATOM 563 O ILE A 65 -5.999 -4.207 -10.326 1.00 0.00 O ATOM 564 CB ILE A 65 -3.367 -2.141 -10.143 1.00 0.00 C ATOM 565 CG1 ILE A 65 -2.028 -2.032 -9.382 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.484 -1.509 -9.294 1.00 0.00 C ATOM 567 CD1 ILE A 65 -1.984 -2.742 -8.020 1.00 0.00 C ATOM 0 H ILE A 65 -2.146 -3.307 -11.966 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.568 -4.221 -9.718 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.277 -1.583 -11.075 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.238 -2.441 -10.011 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.801 -0.977 -9.230 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.195 -0.498 -9.008 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.406 -1.473 -9.875 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.643 -2.108 -8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.001 -2.604 -7.569 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.746 -2.320 -7.365 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.174 -3.806 -8.158 1.00 0.00 H new ATOM 579 N LEU A 66 -5.435 -3.356 -12.318 1.00 0.00 N ATOM 580 CA LEU A 66 -6.768 -3.439 -12.925 1.00 0.00 C ATOM 581 C LEU A 66 -7.176 -4.904 -13.144 1.00 0.00 C ATOM 582 O LEU A 66 -8.322 -5.280 -12.888 1.00 0.00 O ATOM 583 CB LEU A 66 -6.754 -2.632 -14.236 1.00 0.00 C ATOM 584 CG LEU A 66 -7.002 -1.111 -14.099 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.479 -0.442 -12.822 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.358 -0.391 -15.284 1.00 0.00 C ATOM 0 H LEU A 66 -4.728 -2.988 -12.955 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.517 -3.011 -12.259 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.789 -2.780 -14.720 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.512 -3.045 -14.902 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.088 -1.022 -14.063 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.715 0.622 -12.846 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.951 -0.899 -11.952 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.399 -0.573 -12.759 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.529 0.682 -15.194 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.286 -0.589 -15.291 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.799 -0.752 -16.213 1.00 0.00 H new ATOM 598 N LYS A 67 -6.217 -5.750 -13.540 1.00 0.00 N ATOM 599 CA LYS A 67 -6.361 -7.205 -13.665 1.00 0.00 C ATOM 600 C LYS A 67 -6.698 -7.857 -12.322 1.00 0.00 C ATOM 601 O LYS A 67 -7.590 -8.702 -12.245 1.00 0.00 O ATOM 602 CB LYS A 67 -5.073 -7.782 -14.275 1.00 0.00 C ATOM 603 CG LYS A 67 -5.209 -9.265 -14.644 1.00 0.00 C ATOM 604 CD LYS A 67 -3.958 -9.761 -15.387 1.00 0.00 C ATOM 605 CE LYS A 67 -4.006 -11.266 -15.697 1.00 0.00 C ATOM 606 NZ LYS A 67 -5.031 -11.611 -16.720 1.00 0.00 N ATOM 0 H LYS A 67 -5.283 -5.427 -13.792 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.198 -7.427 -14.327 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.810 -7.212 -15.166 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.254 -7.661 -13.566 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.359 -9.857 -13.741 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.090 -9.409 -15.270 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.851 -9.206 -16.319 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.075 -9.547 -14.785 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.026 -11.592 -16.046 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.216 -11.815 -14.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.020 -12.637 -16.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.971 -11.327 -16.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.819 -11.111 -17.607 1.00 0.00 H new ATOM 620 N ALA A 68 -6.019 -7.429 -11.260 1.00 0.00 N ATOM 621 CA ALA A 68 -6.280 -7.859 -9.891 1.00 0.00 C ATOM 622 C ALA A 68 -7.643 -7.375 -9.368 1.00 0.00 C ATOM 623 O ALA A 68 -8.348 -8.138 -8.712 1.00 0.00 O ATOM 624 CB ALA A 68 -5.139 -7.363 -9.002 1.00 0.00 C ATOM 0 H ALA A 68 -5.254 -6.758 -11.331 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.325 -8.948 -9.871 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.317 -7.676 -7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.196 -7.784 -9.351 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.089 -6.275 -9.047 1.00 0.00 H new ATOM 630 N LEU A 69 -8.056 -6.144 -9.691 1.00 0.00 N ATOM 631 CA LEU A 69 -9.293 -5.513 -9.213 1.00 0.00 C ATOM 632 C LEU A 69 -10.548 -6.271 -9.655 1.00 0.00 C ATOM 633 O LEU A 69 -11.549 -6.291 -8.937 1.00 0.00 O ATOM 634 CB LEU A 69 -9.333 -4.048 -9.700 1.00 0.00 C ATOM 635 CG LEU A 69 -9.332 -2.994 -8.581 1.00 0.00 C ATOM 636 CD1 LEU A 69 -8.008 -2.952 -7.818 1.00 0.00 C ATOM 637 CD2 LEU A 69 -9.553 -1.607 -9.188 1.00 0.00 C ATOM 0 H LEU A 69 -7.521 -5.539 -10.313 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.289 -5.541 -8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.473 -3.872 -10.346 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.225 -3.908 -10.311 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.129 -3.268 -7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.061 -2.191 -7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.819 -3.924 -7.363 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.199 -2.711 -8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.553 -0.859 -8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.753 -1.387 -9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.511 -1.585 -9.707 1.00 0.00 H new ATOM 649 N ARG A 70 -10.467 -6.949 -10.804 1.00 0.00 N ATOM 650 CA ARG A 70 -11.476 -7.872 -11.323 1.00 0.00 C ATOM 651 C ARG A 70 -11.810 -9.037 -10.376 1.00 0.00 C ATOM 652 O ARG A 70 -12.938 -9.531 -10.409 1.00 0.00 O ATOM 653 CB ARG A 70 -11.014 -8.375 -12.701 1.00 0.00 C ATOM 654 CG ARG A 70 -11.996 -7.956 -13.799 1.00 0.00 C ATOM 655 CD ARG A 70 -13.269 -8.814 -13.805 1.00 0.00 C ATOM 656 NE ARG A 70 -14.191 -8.427 -14.892 1.00 0.00 N ATOM 657 CZ ARG A 70 -15.380 -8.947 -15.142 1.00 0.00 C ATOM 658 NH1 ARG A 70 -15.883 -9.905 -14.414 1.00 0.00 N ATOM 659 NH2 ARG A 70 -16.099 -8.513 -16.136 1.00 0.00 N ATOM 0 H ARG A 70 -9.661 -6.864 -11.423 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.413 -7.322 -11.413 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.024 -7.977 -12.923 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.925 -9.461 -12.684 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.267 -6.910 -13.660 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.506 -8.032 -14.769 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.998 -9.864 -13.916 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.777 -8.715 -12.846 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.878 -7.682 -15.514 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.355 -10.276 -13.624 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -16.804 -10.284 -14.635 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.746 -7.764 -16.732 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -17.015 -8.922 -16.319 1.00 0.00 H new ATOM 673 N LYS A 71 -10.847 -9.473 -9.550 1.00 0.00 N ATOM 674 CA LYS A 71 -10.953 -10.608 -8.610 1.00 0.00 C ATOM 675 C LYS A 71 -9.931 -10.546 -7.455 1.00 0.00 C ATOM 676 O LYS A 71 -9.136 -11.470 -7.268 1.00 0.00 O ATOM 677 CB LYS A 71 -10.915 -11.941 -9.395 1.00 0.00 C ATOM 678 CG LYS A 71 -9.697 -12.129 -10.321 1.00 0.00 C ATOM 679 CD LYS A 71 -9.753 -13.507 -10.999 1.00 0.00 C ATOM 680 CE LYS A 71 -8.557 -13.759 -11.928 1.00 0.00 C ATOM 681 NZ LYS A 71 -7.291 -13.972 -11.176 1.00 0.00 N ATOM 0 H LYS A 71 -9.931 -9.027 -9.515 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.918 -10.540 -8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.938 -12.764 -8.681 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.822 -12.015 -9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.681 -11.344 -11.077 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.776 -12.036 -9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.783 -14.283 -10.234 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.677 -13.588 -11.572 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.760 -14.632 -12.548 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.438 -12.910 -12.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.513 -14.138 -11.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.081 -13.129 -10.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.393 -14.798 -10.552 1.00 0.00 H new ATOM 695 N ILE A 72 -9.956 -9.464 -6.664 1.00 0.00 N ATOM 696 CA ILE A 72 -9.074 -9.273 -5.492 1.00 0.00 C ATOM 697 C ILE A 72 -9.140 -10.470 -4.519 1.00 0.00 C ATOM 698 O ILE A 72 -8.102 -11.013 -4.131 1.00 0.00 O ATOM 699 CB ILE A 72 -9.390 -7.938 -4.771 1.00 0.00 C ATOM 700 CG1 ILE A 72 -9.286 -6.750 -5.756 1.00 0.00 C ATOM 701 CG2 ILE A 72 -8.451 -7.729 -3.568 1.00 0.00 C ATOM 702 CD1 ILE A 72 -9.434 -5.353 -5.139 1.00 0.00 C ATOM 0 H ILE A 72 -10.595 -8.684 -6.818 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.049 -9.221 -5.860 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.413 -7.987 -4.398 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.320 -6.803 -6.259 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.052 -6.870 -6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.692 -6.786 -3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.578 -8.548 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.417 -7.705 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.344 -4.599 -5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.411 -5.267 -4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.653 -5.199 -4.395 1.00 0.00 H new ATOM 714 N GLU A 73 -10.351 -10.883 -4.123 1.00 0.00 N ATOM 715 CA GLU A 73 -10.626 -12.062 -3.279 1.00 0.00 C ATOM 716 C GLU A 73 -10.458 -13.402 -4.027 1.00 0.00 C ATOM 717 O GLU A 73 -9.684 -14.258 -3.540 1.00 0.00 O ATOM 718 CB GLU A 73 -12.041 -11.955 -2.685 1.00 0.00 C ATOM 719 CG GLU A 73 -12.173 -10.827 -1.649 1.00 0.00 C ATOM 720 CD GLU A 73 -13.572 -10.831 -0.992 1.00 0.00 C ATOM 721 OE1 GLU A 73 -14.504 -10.171 -1.518 1.00 0.00 O ATOM 722 OE2 GLU A 73 -13.755 -11.487 0.065 1.00 0.00 O ATOM 0 H GLU A 73 -11.202 -10.388 -4.390 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.883 -12.063 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.756 -11.787 -3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.306 -12.903 -2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.408 -10.943 -0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.998 -9.865 -2.131 1.00 0.00 H new ATOM 730 N THR B 31 16.290 6.753 -5.691 1.00 0.00 N ATOM 731 CA THR B 31 15.233 5.762 -5.961 1.00 0.00 C ATOM 732 C THR B 31 14.690 5.892 -7.392 1.00 0.00 C ATOM 733 O THR B 31 15.124 6.765 -8.153 1.00 0.00 O ATOM 734 CB THR B 31 14.126 5.914 -4.906 1.00 0.00 C ATOM 735 OG1 THR B 31 13.216 4.845 -4.966 1.00 0.00 O ATOM 736 CG2 THR B 31 13.351 7.230 -4.986 1.00 0.00 C ATOM 0 HA THR B 31 15.651 4.758 -5.888 1.00 0.00 H new ATOM 0 HB THR B 31 14.655 5.913 -3.953 1.00 0.00 H new ATOM 0 HG1 THR B 31 12.620 4.879 -4.189 1.00 0.00 H new ATOM 0 HG21 THR B 31 12.590 7.252 -4.206 1.00 0.00 H new ATOM 0 HG22 THR B 31 14.037 8.065 -4.848 1.00 0.00 H new ATOM 0 HG23 THR B 31 12.872 7.311 -5.962 1.00 0.00 H new ATOM 744 N ARG B 32 13.756 5.020 -7.779 1.00 0.00 N ATOM 745 CA ARG B 32 13.071 5.021 -9.081 1.00 0.00 C ATOM 746 C ARG B 32 11.768 5.832 -9.034 1.00 0.00 C ATOM 747 O ARG B 32 11.343 6.284 -7.970 1.00 0.00 O ATOM 748 CB ARG B 32 12.861 3.557 -9.523 1.00 0.00 C ATOM 749 CG ARG B 32 13.090 3.297 -11.016 1.00 0.00 C ATOM 750 CD ARG B 32 14.536 3.546 -11.470 1.00 0.00 C ATOM 751 NE ARG B 32 14.732 4.879 -12.079 1.00 0.00 N ATOM 752 CZ ARG B 32 14.372 5.284 -13.285 1.00 0.00 C ATOM 753 NH1 ARG B 32 13.718 4.516 -14.112 1.00 0.00 N ATOM 754 NH2 ARG B 32 14.660 6.488 -13.687 1.00 0.00 N ATOM 0 H ARG B 32 13.441 4.263 -7.173 1.00 0.00 H new ATOM 0 HA ARG B 32 13.687 5.521 -9.828 1.00 0.00 H new ATOM 0 HB2 ARG B 32 13.534 2.919 -8.950 1.00 0.00 H new ATOM 0 HB3 ARG B 32 11.844 3.258 -9.268 1.00 0.00 H new ATOM 0 HG2 ARG B 32 12.820 2.265 -11.242 1.00 0.00 H new ATOM 0 HG3 ARG B 32 12.422 3.935 -11.594 1.00 0.00 H new ATOM 0 HD2 ARG B 32 15.202 3.443 -10.613 1.00 0.00 H new ATOM 0 HD3 ARG B 32 14.822 2.779 -12.190 1.00 0.00 H new ATOM 0 HE ARG B 32 15.203 5.572 -11.497 1.00 0.00 H new ATOM 0 HH11 ARG B 32 13.467 3.567 -13.836 1.00 0.00 H new ATOM 0 HH12 ARG B 32 13.458 4.865 -15.035 1.00 0.00 H new ATOM 0 HH21 ARG B 32 15.166 7.124 -13.071 1.00 0.00 H new ATOM 0 HH22 ARG B 32 14.380 6.795 -14.618 1.00 0.00 H new ATOM 768 N ALA B 33 11.131 6.012 -10.189 1.00 0.00 N ATOM 769 CA ALA B 33 9.931 6.828 -10.372 1.00 0.00 C ATOM 770 C ALA B 33 8.821 6.035 -11.085 1.00 0.00 C ATOM 771 O ALA B 33 8.978 5.604 -12.230 1.00 0.00 O ATOM 772 CB ALA B 33 10.324 8.102 -11.131 1.00 0.00 C ATOM 0 H ALA B 33 11.448 5.578 -11.056 1.00 0.00 H new ATOM 0 HA ALA B 33 9.518 7.110 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.442 8.725 -11.278 1.00 0.00 H new ATOM 0 HB2 ALA B 33 11.066 8.654 -10.555 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.744 7.833 -12.100 1.00 0.00 H new ATOM 778 N VAL B 34 7.698 5.841 -10.393 1.00 0.00 N ATOM 779 CA VAL B 34 6.498 5.123 -10.851 1.00 0.00 C ATOM 780 C VAL B 34 5.285 6.026 -10.687 1.00 0.00 C ATOM 781 O VAL B 34 4.653 6.056 -9.638 1.00 0.00 O ATOM 782 CB VAL B 34 6.356 3.769 -10.131 1.00 0.00 C ATOM 783 CG1 VAL B 34 4.991 3.104 -10.337 1.00 0.00 C ATOM 784 CG2 VAL B 34 7.437 2.813 -10.657 1.00 0.00 C ATOM 0 H VAL B 34 7.591 6.199 -9.444 1.00 0.00 H new ATOM 0 HA VAL B 34 6.587 4.881 -11.910 1.00 0.00 H new ATOM 0 HB VAL B 34 6.463 3.969 -9.065 1.00 0.00 H new ATOM 0 HG11 VAL B 34 4.964 2.155 -9.801 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.206 3.758 -9.957 1.00 0.00 H new ATOM 0 HG13 VAL B 34 4.830 2.925 -11.400 1.00 0.00 H new ATOM 0 HG21 VAL B 34 7.347 1.850 -10.154 1.00 0.00 H new ATOM 0 HG22 VAL B 34 7.310 2.675 -11.731 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.423 3.234 -10.460 1.00 0.00 H new ATOM 794 N SER B 35 4.982 6.798 -11.728 1.00 0.00 N ATOM 795 CA SER B 35 3.866 7.747 -11.737 1.00 0.00 C ATOM 796 C SER B 35 2.742 7.280 -12.659 1.00 0.00 C ATOM 797 O SER B 35 2.969 6.972 -13.833 1.00 0.00 O ATOM 798 CB SER B 35 4.353 9.154 -12.084 1.00 0.00 C ATOM 799 OG SER B 35 3.321 10.108 -11.886 1.00 0.00 O ATOM 0 H SER B 35 5.510 6.784 -12.601 1.00 0.00 H new ATOM 0 HA SER B 35 3.446 7.788 -10.732 1.00 0.00 H new ATOM 0 HB2 SER B 35 5.213 9.409 -11.465 1.00 0.00 H new ATOM 0 HB3 SER B 35 4.687 9.183 -13.121 1.00 0.00 H new ATOM 0 HG SER B 35 3.654 11.002 -12.112 1.00 0.00 H new ATOM 805 N LEU B 36 1.531 7.210 -12.109 1.00 0.00 N ATOM 806 CA LEU B 36 0.317 6.714 -12.745 1.00 0.00 C ATOM 807 C LEU B 36 -0.776 7.795 -12.786 1.00 0.00 C ATOM 808 O LEU B 36 -0.761 8.769 -12.027 1.00 0.00 O ATOM 809 CB LEU B 36 -0.198 5.468 -11.991 1.00 0.00 C ATOM 810 CG LEU B 36 0.763 4.260 -11.968 1.00 0.00 C ATOM 811 CD1 LEU B 36 1.498 4.138 -10.634 1.00 0.00 C ATOM 812 CD2 LEU B 36 -0.015 2.962 -12.179 1.00 0.00 C ATOM 0 H LEU B 36 1.364 7.517 -11.151 1.00 0.00 H new ATOM 0 HA LEU B 36 0.559 6.443 -13.773 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.420 5.753 -10.963 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.138 5.153 -12.444 1.00 0.00 H new ATOM 0 HG LEU B 36 1.486 4.423 -12.768 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.163 3.275 -10.663 1.00 0.00 H new ATOM 0 HD12 LEU B 36 2.083 5.041 -10.457 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.773 4.011 -9.830 1.00 0.00 H new ATOM 0 HD21 LEU B 36 0.674 2.118 -12.161 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -0.752 2.846 -11.384 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -0.523 2.995 -13.143 1.00 0.00 H new ATOM 824 N TYR B 37 -1.763 7.550 -13.647 1.00 0.00 N ATOM 825 CA TYR B 37 -2.981 8.335 -13.826 1.00 0.00 C ATOM 826 C TYR B 37 -4.194 7.403 -13.714 1.00 0.00 C ATOM 827 O TYR B 37 -4.721 6.903 -14.712 1.00 0.00 O ATOM 828 CB TYR B 37 -2.910 9.097 -15.158 1.00 0.00 C ATOM 829 CG TYR B 37 -1.904 10.234 -15.148 1.00 0.00 C ATOM 830 CD1 TYR B 37 -2.248 11.465 -14.554 1.00 0.00 C ATOM 831 CD2 TYR B 37 -0.623 10.061 -15.710 1.00 0.00 C ATOM 832 CE1 TYR B 37 -1.324 12.525 -14.529 1.00 0.00 C ATOM 833 CE2 TYR B 37 0.307 11.119 -15.686 1.00 0.00 C ATOM 834 CZ TYR B 37 -0.041 12.356 -15.098 1.00 0.00 C ATOM 835 OH TYR B 37 0.861 13.376 -15.088 1.00 0.00 O ATOM 0 H TYR B 37 -1.730 6.748 -14.276 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.085 9.089 -13.046 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -2.651 8.399 -15.954 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -3.897 9.496 -15.393 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -3.226 11.595 -14.116 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.354 9.116 -16.159 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -1.594 13.467 -14.076 1.00 0.00 H new ATOM 0 HE2 TYR B 37 1.288 10.984 -16.118 1.00 0.00 H new ATOM 0 HH TYR B 37 1.690 13.084 -15.521 1.00 0.00 H new ATOM 845 N PHE B 38 -4.586 7.101 -12.477 1.00 0.00 N ATOM 846 CA PHE B 38 -5.803 6.382 -12.125 1.00 0.00 C ATOM 847 C PHE B 38 -7.053 7.270 -12.289 1.00 0.00 C ATOM 848 O PHE B 38 -6.958 8.458 -12.611 1.00 0.00 O ATOM 849 CB PHE B 38 -5.630 5.922 -10.668 1.00 0.00 C ATOM 850 CG PHE B 38 -4.879 4.616 -10.474 1.00 0.00 C ATOM 851 CD1 PHE B 38 -5.423 3.410 -10.953 1.00 0.00 C ATOM 852 CD2 PHE B 38 -3.690 4.584 -9.724 1.00 0.00 C ATOM 853 CE1 PHE B 38 -4.816 2.180 -10.640 1.00 0.00 C ATOM 854 CE2 PHE B 38 -3.078 3.355 -9.423 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.633 2.155 -9.886 1.00 0.00 C ATOM 0 H PHE B 38 -4.037 7.364 -11.658 1.00 0.00 H new ATOM 0 HA PHE B 38 -5.955 5.530 -12.788 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -5.108 6.705 -10.119 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -6.618 5.822 -10.218 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -6.313 3.429 -11.565 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -3.246 5.506 -9.378 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -5.260 1.256 -10.980 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -2.175 3.336 -8.831 1.00 0.00 H new ATOM 0 HZ PHE B 38 -3.152 1.214 -9.663 1.00 0.00 H new ATOM 865 N SER B 39 -8.234 6.710 -12.022 1.00 0.00 N ATOM 866 CA SER B 39 -9.491 7.448 -11.888 1.00 0.00 C ATOM 867 C SER B 39 -10.317 6.909 -10.716 1.00 0.00 C ATOM 868 O SER B 39 -9.861 6.031 -9.980 1.00 0.00 O ATOM 869 CB SER B 39 -10.254 7.440 -13.221 1.00 0.00 C ATOM 870 OG SER B 39 -11.283 8.417 -13.220 1.00 0.00 O ATOM 0 H SER B 39 -8.346 5.705 -11.890 1.00 0.00 H new ATOM 0 HA SER B 39 -9.276 8.490 -11.653 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.563 7.634 -14.041 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.684 6.453 -13.393 1.00 0.00 H new ATOM 0 HG SER B 39 -11.755 8.396 -14.079 1.00 0.00 H new ATOM 876 N ASP B 40 -11.493 7.494 -10.488 1.00 0.00 N ATOM 877 CA ASP B 40 -12.269 7.366 -9.255 1.00 0.00 C ATOM 878 C ASP B 40 -12.510 5.908 -8.842 1.00 0.00 C ATOM 879 O ASP B 40 -12.164 5.526 -7.730 1.00 0.00 O ATOM 880 CB ASP B 40 -13.589 8.141 -9.398 1.00 0.00 C ATOM 881 CG ASP B 40 -14.366 8.177 -8.078 1.00 0.00 C ATOM 882 OD1 ASP B 40 -13.773 8.605 -7.059 1.00 0.00 O ATOM 883 OD2 ASP B 40 -15.566 7.807 -8.056 1.00 0.00 O ATOM 0 H ASP B 40 -11.947 8.090 -11.180 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.681 7.801 -8.447 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -13.380 9.159 -9.726 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.203 7.677 -10.170 1.00 0.00 H new ATOM 888 N GLU B 41 -13.045 5.074 -9.736 1.00 0.00 N ATOM 889 CA GLU B 41 -13.366 3.663 -9.469 1.00 0.00 C ATOM 890 C GLU B 41 -12.149 2.860 -8.997 1.00 0.00 C ATOM 891 O GLU B 41 -12.190 2.202 -7.957 1.00 0.00 O ATOM 892 CB GLU B 41 -13.929 3.016 -10.742 1.00 0.00 C ATOM 893 CG GLU B 41 -15.246 3.636 -11.216 1.00 0.00 C ATOM 894 CD GLU B 41 -16.470 2.868 -10.682 1.00 0.00 C ATOM 895 OE1 GLU B 41 -16.714 2.888 -9.451 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.192 2.231 -11.487 1.00 0.00 O ATOM 0 H GLU B 41 -13.274 5.363 -10.687 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.103 3.648 -8.666 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.190 3.100 -11.539 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -14.083 1.952 -10.561 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.297 4.674 -10.887 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.271 3.645 -12.306 1.00 0.00 H new ATOM 903 N GLN B 42 -11.059 2.941 -9.760 1.00 0.00 N ATOM 904 CA GLN B 42 -9.761 2.330 -9.459 1.00 0.00 C ATOM 905 C GLN B 42 -9.237 2.791 -8.093 1.00 0.00 C ATOM 906 O GLN B 42 -8.853 1.962 -7.264 1.00 0.00 O ATOM 907 CB GLN B 42 -8.749 2.645 -10.570 1.00 0.00 C ATOM 908 CG GLN B 42 -9.103 2.093 -11.966 1.00 0.00 C ATOM 909 CD GLN B 42 -10.284 2.782 -12.652 1.00 0.00 C ATOM 910 OE1 GLN B 42 -10.533 3.968 -12.495 1.00 0.00 O ATOM 911 NE2 GLN B 42 -11.067 2.069 -13.432 1.00 0.00 N ATOM 0 H GLN B 42 -11.054 3.455 -10.641 1.00 0.00 H new ATOM 0 HA GLN B 42 -9.896 1.249 -9.414 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -8.641 3.727 -10.643 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -7.778 2.247 -10.276 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -8.227 2.182 -12.608 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -9.325 1.030 -11.874 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -10.877 1.077 -13.576 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -11.864 2.508 -13.892 1.00 0.00 H new ATOM 920 N TYR B 43 -9.259 4.103 -7.837 1.00 0.00 N ATOM 921 CA TYR B 43 -8.759 4.696 -6.597 1.00 0.00 C ATOM 922 C TYR B 43 -9.618 4.300 -5.385 1.00 0.00 C ATOM 923 O TYR B 43 -9.086 3.969 -4.326 1.00 0.00 O ATOM 924 CB TYR B 43 -8.684 6.219 -6.769 1.00 0.00 C ATOM 925 CG TYR B 43 -7.755 6.889 -5.779 1.00 0.00 C ATOM 926 CD1 TYR B 43 -6.376 6.960 -6.061 1.00 0.00 C ATOM 927 CD2 TYR B 43 -8.255 7.422 -4.575 1.00 0.00 C ATOM 928 CE1 TYR B 43 -5.498 7.560 -5.140 1.00 0.00 C ATOM 929 CE2 TYR B 43 -7.379 8.026 -3.651 1.00 0.00 C ATOM 930 CZ TYR B 43 -5.996 8.092 -3.933 1.00 0.00 C ATOM 931 OH TYR B 43 -5.135 8.677 -3.055 1.00 0.00 O ATOM 0 H TYR B 43 -9.629 4.789 -8.494 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.760 4.309 -6.396 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.350 6.447 -7.781 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.684 6.640 -6.660 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -5.993 6.553 -6.985 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -9.312 7.368 -4.359 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -4.442 7.613 -5.358 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -7.764 8.437 -2.730 1.00 0.00 H new ATOM 0 HH TYR B 43 -5.632 8.995 -2.272 1.00 0.00 H new ATOM 941 N GLN B 44 -10.943 4.264 -5.553 1.00 0.00 N ATOM 942 CA GLN B 44 -11.898 3.860 -4.522 1.00 0.00 C ATOM 943 C GLN B 44 -11.756 2.390 -4.135 1.00 0.00 C ATOM 944 O GLN B 44 -11.738 2.075 -2.947 1.00 0.00 O ATOM 945 CB GLN B 44 -13.353 4.133 -4.940 1.00 0.00 C ATOM 946 CG GLN B 44 -13.842 5.593 -4.981 1.00 0.00 C ATOM 947 CD GLN B 44 -13.035 6.594 -4.156 1.00 0.00 C ATOM 948 OE1 GLN B 44 -12.850 6.457 -2.954 1.00 0.00 O ATOM 949 NE2 GLN B 44 -12.550 7.659 -4.747 1.00 0.00 N ATOM 0 H GLN B 44 -11.391 4.522 -6.433 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.658 4.472 -3.653 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.499 3.706 -5.932 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -14.003 3.584 -4.258 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -13.843 5.926 -6.019 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -14.876 5.619 -4.637 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -12.691 7.796 -5.748 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -12.032 8.351 -4.206 1.00 0.00 H new ATOM 958 N LYS B 45 -11.626 1.478 -5.105 1.00 0.00 N ATOM 959 CA LYS B 45 -11.384 0.054 -4.848 1.00 0.00 C ATOM 960 C LYS B 45 -10.068 -0.173 -4.096 1.00 0.00 C ATOM 961 O LYS B 45 -10.028 -0.970 -3.158 1.00 0.00 O ATOM 962 CB LYS B 45 -11.434 -0.732 -6.171 1.00 0.00 C ATOM 963 CG LYS B 45 -12.575 -1.762 -6.215 1.00 0.00 C ATOM 964 CD LYS B 45 -13.987 -1.143 -6.244 1.00 0.00 C ATOM 965 CE LYS B 45 -14.322 -0.384 -7.537 1.00 0.00 C ATOM 966 NZ LYS B 45 -14.545 -1.297 -8.692 1.00 0.00 N ATOM 0 H LYS B 45 -11.686 1.709 -6.097 1.00 0.00 H new ATOM 0 HA LYS B 45 -12.175 -0.319 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.551 -0.032 -6.999 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.483 -1.244 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -12.448 -2.390 -7.097 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.494 -2.414 -5.345 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -14.721 -1.936 -6.103 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -14.089 -0.461 -5.400 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -15.215 0.221 -7.379 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -13.509 0.303 -7.772 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -14.768 -0.737 -9.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -13.685 -1.857 -8.863 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -15.338 -1.936 -8.481 1.00 0.00 H new ATOM 980 N LEU B 46 -9.008 0.559 -4.455 1.00 0.00 N ATOM 981 CA LEU B 46 -7.740 0.517 -3.726 1.00 0.00 C ATOM 982 C LEU B 46 -7.838 1.102 -2.309 1.00 0.00 C ATOM 983 O LEU B 46 -7.303 0.523 -1.369 1.00 0.00 O ATOM 984 CB LEU B 46 -6.625 1.166 -4.568 1.00 0.00 C ATOM 985 CG LEU B 46 -5.597 0.089 -4.938 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.736 0.502 -6.125 1.00 0.00 C ATOM 987 CD2 LEU B 46 -4.683 -0.210 -3.746 1.00 0.00 C ATOM 0 H LEU B 46 -9.006 1.193 -5.254 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.480 -0.530 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -7.044 1.614 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -6.146 1.968 -4.007 1.00 0.00 H new ATOM 0 HG LEU B 46 -6.161 -0.802 -5.213 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -4.023 -0.291 -6.351 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -5.372 0.676 -6.993 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -4.196 1.417 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -3.960 -0.976 -4.025 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -4.155 0.698 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -5.283 -0.565 -2.908 1.00 0.00 H new ATOM 999 N GLU B 47 -8.579 2.193 -2.120 1.00 0.00 N ATOM 1000 CA GLU B 47 -8.904 2.732 -0.792 1.00 0.00 C ATOM 1001 C GLU B 47 -9.722 1.747 0.065 1.00 0.00 C ATOM 1002 O GLU B 47 -9.444 1.578 1.254 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.597 4.098 -0.927 1.00 0.00 C ATOM 1004 CG GLU B 47 -9.865 4.746 0.437 1.00 0.00 C ATOM 1005 CD GLU B 47 -10.445 6.169 0.304 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -9.703 7.100 -0.096 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -11.638 6.375 0.641 1.00 0.00 O ATOM 0 H GLU B 47 -8.976 2.735 -2.888 1.00 0.00 H new ATOM 0 HA GLU B 47 -7.966 2.877 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -8.975 4.762 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.539 3.975 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -10.559 4.124 1.002 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -8.937 4.786 1.007 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.688 1.037 -0.533 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.495 0.008 0.135 1.00 0.00 C ATOM 1016 C LYS B 48 -10.627 -1.140 0.663 1.00 0.00 C ATOM 1017 O LYS B 48 -10.851 -1.620 1.773 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.623 -0.456 -0.810 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.767 -1.208 -0.104 1.00 0.00 C ATOM 1020 CD LYS B 48 -13.586 -2.736 -0.068 1.00 0.00 C ATOM 1021 CE LYS B 48 -14.655 -3.429 0.791 1.00 0.00 C ATOM 1022 NZ LYS B 48 -16.022 -3.318 0.210 1.00 0.00 N ATOM 0 H LYS B 48 -10.935 1.165 -1.514 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.966 0.435 1.020 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -13.036 0.414 -1.320 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.197 -1.103 -1.577 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.854 -0.839 0.918 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -14.705 -0.976 -0.608 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -13.628 -3.129 -1.084 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -12.597 -2.974 0.325 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -14.397 -4.482 0.904 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -14.653 -2.991 1.789 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -16.703 -3.802 0.829 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -16.283 -2.315 0.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -16.036 -3.759 -0.732 1.00 0.00 H new ATOM 1036 N MET B 49 -9.593 -1.532 -0.087 1.00 0.00 N ATOM 1037 CA MET B 49 -8.536 -2.434 0.352 1.00 0.00 C ATOM 1038 C MET B 49 -7.662 -1.815 1.456 1.00 0.00 C ATOM 1039 O MET B 49 -7.377 -2.472 2.454 1.00 0.00 O ATOM 1040 CB MET B 49 -7.671 -2.778 -0.864 1.00 0.00 C ATOM 1041 CG MET B 49 -8.061 -4.089 -1.551 1.00 0.00 C ATOM 1042 SD MET B 49 -6.712 -4.849 -2.499 1.00 0.00 S ATOM 1043 CE MET B 49 -6.161 -3.444 -3.502 1.00 0.00 C ATOM 0 H MET B 49 -9.469 -1.216 -1.049 1.00 0.00 H new ATOM 0 HA MET B 49 -8.993 -3.328 0.776 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.739 -1.966 -1.588 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.629 -2.839 -0.551 1.00 0.00 H new ATOM 0 HG2 MET B 49 -8.405 -4.796 -0.796 1.00 0.00 H new ATOM 0 HG3 MET B 49 -8.902 -3.902 -2.219 1.00 0.00 H new ATOM 0 HE1 MET B 49 -5.589 -3.808 -4.356 1.00 0.00 H new ATOM 0 HE2 MET B 49 -7.029 -2.888 -3.857 1.00 0.00 H new ATOM 0 HE3 MET B 49 -5.533 -2.789 -2.898 1.00 0.00 H new ATOM 1053 N ALA B 50 -7.256 -0.551 1.309 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.396 0.178 2.240 1.00 0.00 C ATOM 1055 C ALA B 50 -6.961 0.313 3.656 1.00 0.00 C ATOM 1056 O ALA B 50 -6.179 0.451 4.592 1.00 0.00 O ATOM 1057 CB ALA B 50 -6.038 1.532 1.626 1.00 0.00 C ATOM 0 H ALA B 50 -7.530 0.014 0.505 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.493 -0.415 2.381 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.396 2.085 2.312 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.513 1.377 0.684 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.949 2.101 1.444 1.00 0.00 H new ATOM 1063 N ASN B 51 -8.270 0.171 3.858 1.00 0.00 N ATOM 1064 CA ASN B 51 -8.866 0.019 5.186 1.00 0.00 C ATOM 1065 C ASN B 51 -8.329 -1.203 5.963 1.00 0.00 C ATOM 1066 O ASN B 51 -8.260 -1.163 7.191 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.388 -0.018 5.015 1.00 0.00 C ATOM 1068 CG ASN B 51 -11.125 -0.090 6.341 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -11.673 -1.116 6.723 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -11.170 0.994 7.079 1.00 0.00 N ATOM 0 H ASN B 51 -8.952 0.158 3.100 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.580 0.871 5.804 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.710 0.871 4.473 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.660 -0.880 4.405 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -11.662 0.983 7.972 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -10.713 1.848 6.759 1.00 0.00 H new ATOM 1077 N GLU B 52 -7.861 -2.253 5.277 1.00 0.00 N ATOM 1078 CA GLU B 52 -7.174 -3.402 5.884 1.00 0.00 C ATOM 1079 C GLU B 52 -5.763 -3.041 6.401 1.00 0.00 C ATOM 1080 O GLU B 52 -5.303 -3.582 7.407 1.00 0.00 O ATOM 1081 CB GLU B 52 -7.114 -4.566 4.879 1.00 0.00 C ATOM 1082 CG GLU B 52 -6.760 -5.900 5.550 1.00 0.00 C ATOM 1083 CD GLU B 52 -6.826 -7.073 4.552 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -7.944 -7.559 4.252 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -5.757 -7.542 4.087 1.00 0.00 O ATOM 0 H GLU B 52 -7.951 -2.330 4.264 1.00 0.00 H new ATOM 0 HA GLU B 52 -7.751 -3.711 6.756 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -8.077 -4.659 4.377 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -6.374 -4.341 4.111 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -5.758 -5.839 5.975 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -7.446 -6.086 6.376 1.00 0.00 H new ATOM 1092 N GLU B 53 -5.096 -2.078 5.754 1.00 0.00 N ATOM 1093 CA GLU B 53 -3.848 -1.437 6.209 1.00 0.00 C ATOM 1094 C GLU B 53 -4.114 -0.243 7.157 1.00 0.00 C ATOM 1095 O GLU B 53 -3.185 0.429 7.605 1.00 0.00 O ATOM 1096 CB GLU B 53 -3.039 -1.006 4.970 1.00 0.00 C ATOM 1097 CG GLU B 53 -1.515 -0.991 5.157 1.00 0.00 C ATOM 1098 CD GLU B 53 -0.941 -2.415 5.288 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -0.791 -3.106 4.250 1.00 0.00 O ATOM 1100 OE2 GLU B 53 -0.636 -2.851 6.424 1.00 0.00 O ATOM 0 H GLU B 53 -5.421 -1.706 4.862 1.00 0.00 H new ATOM 0 HA GLU B 53 -3.273 -2.156 6.792 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.281 -1.677 4.146 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -3.362 -0.008 4.674 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -1.050 -0.488 4.309 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -1.264 -0.414 6.047 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.388 0.011 7.478 1.00 0.00 N ATOM 1108 CA GLU B 54 -5.900 1.103 8.318 1.00 0.00 C ATOM 1109 C GLU B 54 -5.678 2.491 7.675 1.00 0.00 C ATOM 1110 O GLU B 54 -5.202 3.440 8.300 1.00 0.00 O ATOM 1111 CB GLU B 54 -5.392 0.947 9.766 1.00 0.00 C ATOM 1112 CG GLU B 54 -6.357 1.578 10.775 1.00 0.00 C ATOM 1113 CD GLU B 54 -5.811 1.462 12.212 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -6.066 0.431 12.883 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -5.134 2.405 12.692 1.00 0.00 O ATOM 0 H GLU B 54 -6.143 -0.583 7.134 1.00 0.00 H new ATOM 0 HA GLU B 54 -6.986 1.032 8.382 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -5.266 -0.111 9.996 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.411 1.413 9.860 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -6.514 2.627 10.526 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -7.328 1.087 10.711 1.00 0.00 H new ATOM 1122 N GLU B 55 -6.060 2.589 6.395 1.00 0.00 N ATOM 1123 CA GLU B 55 -5.860 3.696 5.447 1.00 0.00 C ATOM 1124 C GLU B 55 -4.376 4.001 5.144 1.00 0.00 C ATOM 1125 O GLU B 55 -3.682 4.687 5.900 1.00 0.00 O ATOM 1126 CB GLU B 55 -6.631 4.970 5.830 1.00 0.00 C ATOM 1127 CG GLU B 55 -8.050 4.795 6.399 1.00 0.00 C ATOM 1128 CD GLU B 55 -9.001 3.999 5.488 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -8.950 4.166 4.246 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -9.826 3.222 6.026 1.00 0.00 O ATOM 0 H GLU B 55 -6.566 1.821 5.953 1.00 0.00 H new ATOM 0 HA GLU B 55 -6.292 3.331 4.515 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -6.038 5.514 6.565 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -6.699 5.602 4.944 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -7.983 4.292 7.364 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -8.480 5.780 6.582 1.00 0.00 H new ATOM 1137 N SER B 56 -3.879 3.498 4.008 1.00 0.00 N ATOM 1138 CA SER B 56 -2.494 3.676 3.537 1.00 0.00 C ATOM 1139 C SER B 56 -2.438 3.761 2.000 1.00 0.00 C ATOM 1140 O SER B 56 -1.576 3.163 1.348 1.00 0.00 O ATOM 1141 CB SER B 56 -1.619 2.547 4.105 1.00 0.00 C ATOM 1142 OG SER B 56 -0.257 2.936 4.141 1.00 0.00 O ATOM 0 H SER B 56 -4.444 2.938 3.369 1.00 0.00 H new ATOM 0 HA SER B 56 -2.098 4.624 3.903 1.00 0.00 H new ATOM 0 HB2 SER B 56 -1.955 2.290 5.110 1.00 0.00 H new ATOM 0 HB3 SER B 56 -1.730 1.652 3.493 1.00 0.00 H new ATOM 0 HG SER B 56 0.283 2.204 4.507 1.00 0.00 H new ATOM 1148 N VAL B 57 -3.417 4.458 1.403 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.618 4.546 -0.055 1.00 0.00 C ATOM 1150 C VAL B 57 -2.381 5.167 -0.723 1.00 0.00 C ATOM 1151 O VAL B 57 -2.015 6.307 -0.432 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.878 5.352 -0.459 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.345 4.927 -1.860 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -6.062 5.171 0.495 1.00 0.00 C ATOM 0 H VAL B 57 -4.109 4.990 1.932 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.769 3.524 -0.402 1.00 0.00 H new ATOM 0 HB VAL B 57 -4.576 6.399 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -6.231 5.498 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -4.551 5.117 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -5.585 3.864 -1.857 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -6.905 5.766 0.145 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -6.348 4.120 0.525 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -5.777 5.498 1.495 1.00 0.00 H new ATOM 1164 N GLY B 58 -1.701 4.398 -1.576 1.00 0.00 N ATOM 1165 CA GLY B 58 -0.394 4.732 -2.163 1.00 0.00 C ATOM 1166 C GLY B 58 0.631 3.651 -1.844 1.00 0.00 C ATOM 1167 O GLY B 58 1.147 2.977 -2.736 1.00 0.00 O ATOM 0 H GLY B 58 -2.054 3.494 -1.890 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -0.492 4.840 -3.243 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -0.050 5.691 -1.776 1.00 0.00 H new ATOM 1171 N SER B 59 0.870 3.399 -0.560 1.00 0.00 N ATOM 1172 CA SER B 59 1.682 2.270 -0.116 1.00 0.00 C ATOM 1173 C SER B 59 1.043 0.944 -0.509 1.00 0.00 C ATOM 1174 O SER B 59 1.748 0.047 -0.955 1.00 0.00 O ATOM 1175 CB SER B 59 1.850 2.314 1.397 1.00 0.00 C ATOM 1176 OG SER B 59 2.447 3.534 1.808 1.00 0.00 O ATOM 0 H SER B 59 0.506 3.972 0.202 1.00 0.00 H new ATOM 0 HA SER B 59 2.655 2.347 -0.601 1.00 0.00 H new ATOM 0 HB2 SER B 59 0.878 2.201 1.878 1.00 0.00 H new ATOM 0 HB3 SER B 59 2.466 1.476 1.722 1.00 0.00 H new ATOM 0 HG SER B 59 2.543 3.539 2.783 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.289 0.841 -0.430 1.00 0.00 N ATOM 1183 CA TYR B 60 -1.039 -0.334 -0.881 1.00 0.00 C ATOM 1184 C TYR B 60 -0.835 -0.635 -2.375 1.00 0.00 C ATOM 1185 O TYR B 60 -0.655 -1.790 -2.747 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.528 -0.151 -0.558 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.196 -1.436 -0.110 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.439 -2.479 -1.026 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.532 -1.606 1.245 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -4.013 -3.686 -0.583 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -4.145 -2.795 1.680 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.380 -3.843 0.769 1.00 0.00 C ATOM 1193 OH TYR B 60 -4.914 -5.014 1.211 1.00 0.00 O ATOM 0 H TYR B 60 -0.881 1.579 -0.047 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.651 -1.198 -0.341 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.635 0.600 0.224 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -3.042 0.231 -1.440 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.185 -2.352 -2.068 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -3.318 -0.820 1.955 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.173 -4.494 -1.281 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.436 -2.904 2.714 1.00 0.00 H new ATOM 0 HH TYR B 60 -5.106 -4.945 2.169 1.00 0.00 H new ATOM 1203 N ILE B 61 -0.802 0.398 -3.226 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.517 0.296 -4.675 1.00 0.00 C ATOM 1205 C ILE B 61 0.831 -0.373 -4.898 1.00 0.00 C ATOM 1206 O ILE B 61 0.922 -1.370 -5.619 1.00 0.00 O ATOM 1207 CB ILE B 61 -0.557 1.698 -5.342 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -2.004 2.193 -5.477 1.00 0.00 C ATOM 1209 CG2 ILE B 61 0.119 1.792 -6.723 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -2.171 3.691 -5.228 1.00 0.00 C ATOM 0 H ILE B 61 -0.977 1.357 -2.924 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.288 -0.318 -5.140 1.00 0.00 H new ATOM 0 HB ILE B 61 0.023 2.328 -4.668 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.366 1.958 -6.478 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.632 1.645 -4.774 1.00 0.00 H new ATOM 0 HG21 ILE B 61 0.035 2.811 -7.100 1.00 0.00 H new ATOM 0 HG22 ILE B 61 1.172 1.524 -6.632 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -0.371 1.107 -7.415 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.220 3.964 -5.342 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -1.841 3.931 -4.217 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -1.571 4.249 -5.947 1.00 0.00 H new ATOM 1222 N LYS B 62 1.870 0.146 -4.233 1.00 0.00 N ATOM 1223 CA LYS B 62 3.200 -0.453 -4.248 1.00 0.00 C ATOM 1224 C LYS B 62 3.141 -1.897 -3.745 1.00 0.00 C ATOM 1225 O LYS B 62 3.498 -2.827 -4.462 1.00 0.00 O ATOM 1226 CB LYS B 62 4.173 0.429 -3.428 1.00 0.00 C ATOM 1227 CG LYS B 62 5.477 0.697 -4.193 1.00 0.00 C ATOM 1228 CD LYS B 62 6.677 1.116 -3.324 1.00 0.00 C ATOM 1229 CE LYS B 62 6.504 2.451 -2.582 1.00 0.00 C ATOM 1230 NZ LYS B 62 6.038 2.272 -1.179 1.00 0.00 N ATOM 0 H LYS B 62 1.807 0.994 -3.670 1.00 0.00 H new ATOM 0 HA LYS B 62 3.578 -0.496 -5.269 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.691 1.376 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.400 -0.062 -2.482 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.746 -0.203 -4.745 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.292 1.479 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS B 62 6.868 0.332 -2.591 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.561 1.181 -3.958 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.453 2.986 -2.580 1.00 0.00 H new ATOM 0 HE3 LYS B 62 5.789 3.072 -3.122 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 5.938 3.202 -0.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 5.119 1.786 -1.178 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 6.731 1.703 -0.653 1.00 0.00 H new ATOM 1244 N ARG B 63 2.652 -2.092 -2.519 1.00 0.00 N ATOM 1245 CA ARG B 63 2.620 -3.367 -1.791 1.00 0.00 C ATOM 1246 C ARG B 63 1.904 -4.457 -2.576 1.00 0.00 C ATOM 1247 O ARG B 63 2.366 -5.588 -2.550 1.00 0.00 O ATOM 1248 CB ARG B 63 2.033 -3.159 -0.377 1.00 0.00 C ATOM 1249 CG ARG B 63 2.221 -4.380 0.545 1.00 0.00 C ATOM 1250 CD ARG B 63 1.022 -5.343 0.574 1.00 0.00 C ATOM 1251 NE ARG B 63 -0.026 -4.895 1.515 1.00 0.00 N ATOM 1252 CZ ARG B 63 -1.258 -5.353 1.623 1.00 0.00 C ATOM 1253 NH1 ARG B 63 -1.773 -6.208 0.786 1.00 0.00 N ATOM 1254 NH2 ARG B 63 -2.007 -4.956 2.603 1.00 0.00 N ATOM 0 H ARG B 63 2.247 -1.328 -1.978 1.00 0.00 H new ATOM 0 HA ARG B 63 3.644 -3.721 -1.672 1.00 0.00 H new ATOM 0 HB2 ARG B 63 2.505 -2.290 0.081 1.00 0.00 H new ATOM 0 HB3 ARG B 63 0.969 -2.936 -0.461 1.00 0.00 H new ATOM 0 HG2 ARG B 63 3.106 -4.930 0.224 1.00 0.00 H new ATOM 0 HG3 ARG B 63 2.414 -4.029 1.559 1.00 0.00 H new ATOM 0 HD2 ARG B 63 0.599 -5.425 -0.427 1.00 0.00 H new ATOM 0 HD3 ARG B 63 1.363 -6.338 0.859 1.00 0.00 H new ATOM 0 HE ARG B 63 0.234 -4.145 2.155 1.00 0.00 H new ATOM 0 HH11 ARG B 63 -1.217 -6.554 0.003 1.00 0.00 H new ATOM 0 HH12 ARG B 63 -2.732 -6.532 0.913 1.00 0.00 H new ATOM 0 HH21 ARG B 63 -1.643 -4.292 3.287 1.00 0.00 H new ATOM 0 HH22 ARG B 63 -2.961 -5.307 2.691 1.00 0.00 H new ATOM 1268 N TYR B 64 0.846 -4.142 -3.320 1.00 0.00 N ATOM 1269 CA TYR B 64 0.110 -5.124 -4.119 1.00 0.00 C ATOM 1270 C TYR B 64 0.981 -5.733 -5.224 1.00 0.00 C ATOM 1271 O TYR B 64 1.085 -6.949 -5.374 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.136 -4.470 -4.720 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.196 -5.509 -5.028 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.104 -6.302 -6.189 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.190 -5.783 -4.070 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -2.985 -7.386 -6.371 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.085 -6.853 -4.257 1.00 0.00 C ATOM 1278 CZ TYR B 64 -3.975 -7.668 -5.404 1.00 0.00 C ATOM 1279 OH TYR B 64 -4.800 -8.739 -5.568 1.00 0.00 O ATOM 0 H TYR B 64 0.472 -3.195 -3.387 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.188 -5.939 -3.459 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.536 -3.732 -4.025 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.868 -3.937 -5.632 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -1.359 -6.079 -6.938 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -3.266 -5.168 -3.185 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -2.903 -8.004 -7.253 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -4.854 -7.050 -3.525 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.422 -8.791 -4.813 1.00 0.00 H new ATOM 1289 N ILE B 65 1.646 -4.855 -5.967 1.00 0.00 N ATOM 1290 CA ILE B 65 2.596 -5.172 -7.038 1.00 0.00 C ATOM 1291 C ILE B 65 3.815 -5.905 -6.474 1.00 0.00 C ATOM 1292 O ILE B 65 4.249 -6.909 -7.034 1.00 0.00 O ATOM 1293 CB ILE B 65 2.995 -3.877 -7.780 1.00 0.00 C ATOM 1294 CG1 ILE B 65 1.843 -3.295 -8.624 1.00 0.00 C ATOM 1295 CG2 ILE B 65 4.248 -4.046 -8.646 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.421 -4.134 -9.838 1.00 0.00 C ATOM 0 H ILE B 65 1.534 -3.850 -5.835 1.00 0.00 H new ATOM 0 HA ILE B 65 2.123 -5.841 -7.757 1.00 0.00 H new ATOM 0 HB ILE B 65 3.229 -3.163 -6.990 1.00 0.00 H new ATOM 0 HG12 ILE B 65 0.975 -3.161 -7.978 1.00 0.00 H new ATOM 0 HG13 ILE B 65 2.136 -2.305 -8.973 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.478 -3.103 -9.142 1.00 0.00 H new ATOM 0 HG22 ILE B 65 5.088 -4.339 -8.017 1.00 0.00 H new ATOM 0 HG23 ILE B 65 4.070 -4.816 -9.396 1.00 0.00 H new ATOM 0 HD11 ILE B 65 0.605 -3.634 -10.360 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.269 -4.248 -10.514 1.00 0.00 H new ATOM 0 HD13 ILE B 65 1.089 -5.117 -9.503 1.00 0.00 H new ATOM 1308 N LEU B 66 4.345 -5.439 -5.343 1.00 0.00 N ATOM 1309 CA LEU B 66 5.548 -5.989 -4.712 1.00 0.00 C ATOM 1310 C LEU B 66 5.262 -7.375 -4.113 1.00 0.00 C ATOM 1311 O LEU B 66 6.114 -8.264 -4.153 1.00 0.00 O ATOM 1312 CB LEU B 66 6.044 -4.978 -3.661 1.00 0.00 C ATOM 1313 CG LEU B 66 6.918 -3.815 -4.190 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.688 -3.354 -5.635 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.724 -2.584 -3.308 1.00 0.00 C ATOM 0 H LEU B 66 3.944 -4.654 -4.829 1.00 0.00 H new ATOM 0 HA LEU B 66 6.336 -6.138 -5.450 1.00 0.00 H new ATOM 0 HB2 LEU B 66 5.175 -4.553 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU B 66 6.615 -5.520 -2.907 1.00 0.00 H new ATOM 0 HG LEU B 66 7.922 -4.239 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.368 -2.535 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.873 -4.185 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU B 66 5.659 -3.014 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.341 -1.767 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.676 -2.285 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU B 66 7.017 -2.820 -2.285 1.00 0.00 H new ATOM 1327 N LYS B 67 4.032 -7.588 -3.633 1.00 0.00 N ATOM 1328 CA LYS B 67 3.502 -8.881 -3.195 1.00 0.00 C ATOM 1329 C LYS B 67 3.317 -9.843 -4.369 1.00 0.00 C ATOM 1330 O LYS B 67 3.764 -10.986 -4.299 1.00 0.00 O ATOM 1331 CB LYS B 67 2.198 -8.647 -2.419 1.00 0.00 C ATOM 1332 CG LYS B 67 1.691 -9.925 -1.734 1.00 0.00 C ATOM 1333 CD LYS B 67 0.474 -9.632 -0.842 1.00 0.00 C ATOM 1334 CE LYS B 67 0.032 -10.852 -0.019 1.00 0.00 C ATOM 1335 NZ LYS B 67 -0.540 -11.939 -0.859 1.00 0.00 N ATOM 0 H LYS B 67 3.353 -6.833 -3.536 1.00 0.00 H new ATOM 0 HA LYS B 67 4.221 -9.361 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS B 67 2.358 -7.874 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS B 67 1.433 -8.275 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS B 67 1.422 -10.663 -2.489 1.00 0.00 H new ATOM 0 HG3 LYS B 67 2.490 -10.360 -1.133 1.00 0.00 H new ATOM 0 HD2 LYS B 67 0.714 -8.811 -0.166 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -0.356 -9.300 -1.465 1.00 0.00 H new ATOM 0 HE2 LYS B 67 0.887 -11.239 0.535 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -0.709 -10.539 0.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -0.821 -12.736 -0.252 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -1.373 -11.582 -1.369 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 0.174 -12.260 -1.544 1.00 0.00 H new ATOM 1349 N ALA B 68 2.712 -9.373 -5.461 1.00 0.00 N ATOM 1350 CA ALA B 68 2.528 -10.140 -6.694 1.00 0.00 C ATOM 1351 C ALA B 68 3.865 -10.581 -7.315 1.00 0.00 C ATOM 1352 O ALA B 68 3.965 -11.684 -7.843 1.00 0.00 O ATOM 1353 CB ALA B 68 1.703 -9.304 -7.679 1.00 0.00 C ATOM 0 H ALA B 68 2.328 -8.429 -5.514 1.00 0.00 H new ATOM 0 HA ALA B 68 1.992 -11.059 -6.455 1.00 0.00 H new ATOM 0 HB1 ALA B 68 1.560 -9.866 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA B 68 0.732 -9.076 -7.239 1.00 0.00 H new ATOM 0 HB3 ALA B 68 2.230 -8.375 -7.898 1.00 0.00 H new ATOM 1359 N LEU B 69 4.915 -9.763 -7.192 1.00 0.00 N ATOM 1360 CA LEU B 69 6.250 -9.992 -7.760 1.00 0.00 C ATOM 1361 C LEU B 69 6.926 -11.257 -7.221 1.00 0.00 C ATOM 1362 O LEU B 69 7.727 -11.876 -7.925 1.00 0.00 O ATOM 1363 CB LEU B 69 7.125 -8.750 -7.481 1.00 0.00 C ATOM 1364 CG LEU B 69 7.763 -8.117 -8.726 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.736 -7.519 -9.682 1.00 0.00 C ATOM 1366 CD2 LEU B 69 8.677 -6.973 -8.297 1.00 0.00 C ATOM 0 H LEU B 69 4.857 -8.887 -6.673 1.00 0.00 H new ATOM 0 HA LEU B 69 6.135 -10.149 -8.832 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.514 -7.998 -6.981 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.917 -9.030 -6.787 1.00 0.00 H new ATOM 0 HG LEU B 69 8.300 -8.917 -9.236 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.248 -7.087 -10.542 1.00 0.00 H new ATOM 0 HD12 LEU B 69 6.055 -8.300 -10.020 1.00 0.00 H new ATOM 0 HD13 LEU B 69 6.170 -6.742 -9.168 1.00 0.00 H new ATOM 0 HD21 LEU B 69 9.132 -6.521 -9.178 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.094 -6.222 -7.764 1.00 0.00 H new ATOM 0 HD23 LEU B 69 9.459 -7.358 -7.642 1.00 0.00 H new ATOM 1378 N ARG B 70 6.568 -11.666 -5.997 1.00 0.00 N ATOM 1379 CA ARG B 70 7.013 -12.920 -5.382 1.00 0.00 C ATOM 1380 C ARG B 70 6.614 -14.155 -6.203 1.00 0.00 C ATOM 1381 O ARG B 70 7.427 -15.068 -6.349 1.00 0.00 O ATOM 1382 CB ARG B 70 6.535 -13.033 -3.923 1.00 0.00 C ATOM 1383 CG ARG B 70 7.170 -11.951 -3.034 1.00 0.00 C ATOM 1384 CD ARG B 70 6.868 -12.188 -1.550 1.00 0.00 C ATOM 1385 NE ARG B 70 7.629 -11.248 -0.699 1.00 0.00 N ATOM 1386 CZ ARG B 70 7.196 -10.177 -0.058 1.00 0.00 C ATOM 1387 NH1 ARG B 70 5.943 -9.820 -0.061 1.00 0.00 N ATOM 1388 NH2 ARG B 70 8.028 -9.435 0.615 1.00 0.00 N ATOM 0 H ARG B 70 5.949 -11.123 -5.396 1.00 0.00 H new ATOM 0 HA ARG B 70 8.103 -12.892 -5.374 1.00 0.00 H new ATOM 0 HB2 ARG B 70 5.449 -12.943 -3.887 1.00 0.00 H new ATOM 0 HB3 ARG B 70 6.786 -14.019 -3.533 1.00 0.00 H new ATOM 0 HG2 ARG B 70 8.249 -11.940 -3.189 1.00 0.00 H new ATOM 0 HG3 ARG B 70 6.796 -10.971 -3.330 1.00 0.00 H new ATOM 0 HD2 ARG B 70 5.800 -12.066 -1.368 1.00 0.00 H new ATOM 0 HD3 ARG B 70 7.122 -13.214 -1.283 1.00 0.00 H new ATOM 0 HE ARG B 70 8.622 -11.454 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG B 70 5.256 -10.375 -0.571 1.00 0.00 H new ATOM 0 HH12 ARG B 70 5.649 -8.986 0.447 1.00 0.00 H new ATOM 0 HH21 ARG B 70 9.018 -9.680 0.648 1.00 0.00 H new ATOM 0 HH22 ARG B 70 7.690 -8.609 1.109 1.00 0.00 H new ATOM 1402 N LYS B 71 5.396 -14.157 -6.768 1.00 0.00 N ATOM 1403 CA LYS B 71 4.874 -15.147 -7.730 1.00 0.00 C ATOM 1404 C LYS B 71 3.910 -14.525 -8.760 1.00 0.00 C ATOM 1405 O LYS B 71 2.692 -14.712 -8.671 1.00 0.00 O ATOM 1406 CB LYS B 71 4.218 -16.342 -7.023 1.00 0.00 C ATOM 1407 CG LYS B 71 5.187 -17.291 -6.299 1.00 0.00 C ATOM 1408 CD LYS B 71 4.572 -18.656 -5.937 1.00 0.00 C ATOM 1409 CE LYS B 71 4.334 -19.547 -7.170 1.00 0.00 C ATOM 1410 NZ LYS B 71 2.965 -19.406 -7.732 1.00 0.00 N ATOM 0 H LYS B 71 4.711 -13.431 -6.557 1.00 0.00 H new ATOM 0 HA LYS B 71 5.740 -15.514 -8.281 1.00 0.00 H new ATOM 0 HB2 LYS B 71 3.497 -15.963 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS B 71 3.657 -16.916 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS B 71 6.060 -17.453 -6.931 1.00 0.00 H new ATOM 0 HG3 LYS B 71 5.538 -16.809 -5.387 1.00 0.00 H new ATOM 0 HD2 LYS B 71 5.232 -19.174 -5.241 1.00 0.00 H new ATOM 0 HD3 LYS B 71 3.625 -18.498 -5.420 1.00 0.00 H new ATOM 0 HE2 LYS B 71 5.064 -19.296 -7.939 1.00 0.00 H new ATOM 0 HE3 LYS B 71 4.503 -20.589 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 2.471 -20.319 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 2.438 -18.693 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 3.027 -19.107 -8.726 1.00 0.00 H new