USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 445 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 29 ASN : amide:sc= -0.715 K(o=-0.72,f=-1.8!) USER MOD Set 1.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0166 K(o=-0.017,f=-1.3) USER MOD Single : A 10 MET CE :methyl -137:sc= -0.346 (180deg=-3.14!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.465 K(o=-0.46,f=-1.3) USER MOD Single : A 25 TYR OH : rot 165:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -135:sc= 0.429 (180deg=-0.506) USER MOD Single : A 31 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 34 LYS NZ :NH3+ -122:sc= -0.655 (180deg=-1.81) USER MOD Single : A 35 HIS : no HD1:sc= -0.0772 X(o=-0.077,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0636 K(o=-0.064,f=-1.1) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 50:sc= -5.22! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.145 K(o=-0.14,f=-2.3!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.119) USER MOD Single : A 58 LYS NZ :NH3+ -115:sc= 0.13 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ALA A 5 -3.481 -11.816 0.867 1.00 0.00 N ATOM 48 CA ALA A 5 -2.604 -12.058 -0.266 1.00 0.00 C ATOM 49 C ALA A 5 -2.980 -11.111 -1.408 1.00 0.00 C ATOM 50 O ALA A 5 -2.113 -10.654 -2.150 1.00 0.00 O ATOM 51 CB ALA A 5 -2.693 -13.530 -0.675 1.00 0.00 C ATOM 0 HA ALA A 5 -1.567 -11.856 0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.035 -13.712 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.388 -14.159 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.720 -13.769 -0.953 1.00 0.00 H new ATOM 57 N GLU A 6 -4.274 -10.847 -1.512 1.00 0.00 N ATOM 58 CA GLU A 6 -4.775 -9.962 -2.551 1.00 0.00 C ATOM 59 C GLU A 6 -4.383 -8.515 -2.250 1.00 0.00 C ATOM 60 O GLU A 6 -3.972 -7.780 -3.147 1.00 0.00 O ATOM 61 CB GLU A 6 -6.291 -10.099 -2.702 1.00 0.00 C ATOM 62 CG GLU A 6 -6.885 -8.875 -3.404 1.00 0.00 C ATOM 63 CD GLU A 6 -7.998 -9.285 -4.371 1.00 0.00 C ATOM 64 OE1 GLU A 6 -9.141 -9.435 -3.889 1.00 0.00 O ATOM 65 OE2 GLU A 6 -7.679 -9.439 -5.570 1.00 0.00 O ATOM 0 H GLU A 6 -4.990 -11.230 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.320 -10.251 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.523 -10.998 -3.272 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.749 -10.217 -1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.280 -8.182 -2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.102 -8.347 -3.948 1.00 0.00 H new ATOM 70 N LEU A 7 -4.522 -8.147 -0.985 1.00 0.00 N ATOM 71 CA LEU A 7 -4.187 -6.800 -0.555 1.00 0.00 C ATOM 72 C LEU A 7 -2.710 -6.528 -0.848 1.00 0.00 C ATOM 73 O LEU A 7 -2.349 -5.433 -1.275 1.00 0.00 O ATOM 74 CB LEU A 7 -4.571 -6.595 0.912 1.00 0.00 C ATOM 75 CG LEU A 7 -6.067 -6.647 1.227 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.307 -6.757 2.734 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.798 -5.449 0.616 1.00 0.00 C ATOM 0 H LEU A 7 -4.862 -8.759 -0.243 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.764 -6.066 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.068 -7.356 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.185 -5.629 1.236 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.481 -7.545 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.379 -6.792 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.839 -7.666 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.875 -5.891 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.860 -5.510 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.387 -4.525 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.668 -5.457 -0.466 1.00 0.00 H new ATOM 88 N LYS A 8 -1.895 -7.546 -0.607 1.00 0.00 N ATOM 89 CA LYS A 8 -0.466 -7.430 -0.840 1.00 0.00 C ATOM 90 C LYS A 8 -0.199 -7.400 -2.346 1.00 0.00 C ATOM 91 O LYS A 8 0.656 -6.651 -2.814 1.00 0.00 O ATOM 92 CB LYS A 8 0.288 -8.539 -0.104 1.00 0.00 C ATOM 93 CG LYS A 8 1.248 -7.954 0.935 1.00 0.00 C ATOM 94 CD LYS A 8 1.529 -8.962 2.050 1.00 0.00 C ATOM 95 CE LYS A 8 0.227 -9.458 2.682 1.00 0.00 C ATOM 96 NZ LYS A 8 0.346 -9.491 4.157 1.00 0.00 N ATOM 0 H LYS A 8 -2.198 -8.454 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.088 -6.493 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.423 -9.204 0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.846 -9.142 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.183 -7.670 0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.820 -7.046 1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.088 -9.807 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.155 -8.500 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.596 -8.805 2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.009 -10.454 2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.546 -9.830 4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.119 -10.132 4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.550 -8.534 4.510 1.00 0.00 H new ATOM 106 N GLN A 9 -0.948 -8.225 -3.063 1.00 0.00 N ATOM 107 CA GLN A 9 -0.804 -8.303 -4.507 1.00 0.00 C ATOM 108 C GLN A 9 -1.073 -6.937 -5.141 1.00 0.00 C ATOM 109 O GLN A 9 -0.333 -6.501 -6.023 1.00 0.00 O ATOM 110 CB GLN A 9 -1.728 -9.372 -5.095 1.00 0.00 C ATOM 111 CG GLN A 9 -0.921 -10.501 -5.738 1.00 0.00 C ATOM 112 CD GLN A 9 -0.386 -10.081 -7.108 1.00 0.00 C ATOM 113 OE1 GLN A 9 0.440 -9.191 -7.235 1.00 0.00 O ATOM 114 NE2 GLN A 9 -0.900 -10.768 -8.124 1.00 0.00 N ATOM 0 H GLN A 9 -1.656 -8.845 -2.671 1.00 0.00 H new ATOM 0 HA GLN A 9 0.222 -8.593 -4.735 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.366 -9.778 -4.310 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.385 -8.921 -5.839 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.090 -10.775 -5.088 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.548 -11.386 -5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.588 -11.501 -7.948 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.607 -10.562 -9.079 1.00 0.00 H new ATOM 121 N MET A 10 -2.133 -6.299 -4.670 1.00 0.00 N ATOM 122 CA MET A 10 -2.509 -4.992 -5.180 1.00 0.00 C ATOM 123 C MET A 10 -1.523 -3.918 -4.715 1.00 0.00 C ATOM 124 O MET A 10 -1.120 -3.059 -5.498 1.00 0.00 O ATOM 125 CB MET A 10 -3.916 -4.638 -4.694 1.00 0.00 C ATOM 126 CG MET A 10 -4.934 -5.681 -5.160 1.00 0.00 C ATOM 127 SD MET A 10 -6.432 -4.873 -5.697 1.00 0.00 S ATOM 128 CE MET A 10 -6.774 -3.867 -4.263 1.00 0.00 C ATOM 0 H MET A 10 -2.745 -6.663 -3.939 1.00 0.00 H new ATOM 0 HA MET A 10 -2.491 -5.029 -6.269 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.924 -4.577 -3.606 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.198 -3.655 -5.071 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.516 -6.270 -5.976 1.00 0.00 H new ATOM 0 HG3 MET A 10 -5.155 -6.374 -4.348 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.838 -3.912 -4.032 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.202 -4.239 -3.413 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.491 -2.834 -4.467 1.00 0.00 H new ATOM 136 N VAL A 11 -1.164 -4.000 -3.443 1.00 0.00 N ATOM 137 CA VAL A 11 -0.234 -3.047 -2.864 1.00 0.00 C ATOM 138 C VAL A 11 1.136 -3.210 -3.526 1.00 0.00 C ATOM 139 O VAL A 11 1.797 -2.224 -3.845 1.00 0.00 O ATOM 140 CB VAL A 11 -0.187 -3.217 -1.344 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.164 -2.769 -0.783 1.00 0.00 C ATOM 142 CG2 VAL A 11 -1.337 -2.463 -0.673 1.00 0.00 C ATOM 0 H VAL A 11 -1.501 -4.713 -2.796 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.567 -2.027 -3.053 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.306 -4.277 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.170 -2.900 0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.959 -3.369 -1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.327 -1.718 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.281 -2.600 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.262 -1.401 -0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.288 -2.850 -1.039 1.00 0.00 H new ATOM 152 N MET A 12 1.521 -4.464 -3.712 1.00 0.00 N ATOM 153 CA MET A 12 2.800 -4.770 -4.330 1.00 0.00 C ATOM 154 C MET A 12 2.926 -4.090 -5.694 1.00 0.00 C ATOM 155 O MET A 12 4.029 -3.760 -6.128 1.00 0.00 O ATOM 156 CB MET A 12 2.936 -6.285 -4.500 1.00 0.00 C ATOM 157 CG MET A 12 3.390 -6.944 -3.197 1.00 0.00 C ATOM 158 SD MET A 12 4.929 -7.811 -3.455 1.00 0.00 S ATOM 159 CE MET A 12 4.463 -9.443 -2.905 1.00 0.00 C ATOM 0 H MET A 12 0.970 -5.280 -3.446 1.00 0.00 H new ATOM 0 HA MET A 12 3.594 -4.395 -3.683 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.980 -6.707 -4.811 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.653 -6.503 -5.291 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.515 -6.188 -2.422 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.627 -7.638 -2.846 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.315 -10.116 -3.000 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.149 -9.400 -1.862 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.640 -9.812 -3.517 1.00 0.00 H new ATOM 167 N SER A 13 1.782 -3.900 -6.334 1.00 0.00 N ATOM 168 CA SER A 13 1.750 -3.264 -7.640 1.00 0.00 C ATOM 169 C SER A 13 1.855 -1.747 -7.486 1.00 0.00 C ATOM 170 O SER A 13 2.528 -1.084 -8.275 1.00 0.00 O ATOM 171 CB SER A 13 0.476 -3.635 -8.402 1.00 0.00 C ATOM 172 OG SER A 13 0.693 -4.703 -9.319 1.00 0.00 O ATOM 0 H SER A 13 0.869 -4.176 -5.972 1.00 0.00 H new ATOM 0 HA SER A 13 2.603 -3.623 -8.216 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.301 -3.919 -7.692 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.110 -2.762 -8.943 1.00 0.00 H new ATOM 0 HG SER A 13 -0.145 -4.910 -9.784 1.00 0.00 H new ATOM 177 N LEU A 14 1.179 -1.239 -6.465 1.00 0.00 N ATOM 178 CA LEU A 14 1.187 0.189 -6.199 1.00 0.00 C ATOM 179 C LEU A 14 2.598 0.738 -6.425 1.00 0.00 C ATOM 180 O LEU A 14 3.578 0.004 -6.314 1.00 0.00 O ATOM 181 CB LEU A 14 0.633 0.476 -4.801 1.00 0.00 C ATOM 182 CG LEU A 14 -0.860 0.207 -4.604 1.00 0.00 C ATOM 183 CD1 LEU A 14 -1.320 0.663 -3.218 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.685 0.849 -5.722 1.00 0.00 C ATOM 0 H LEU A 14 0.622 -1.791 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 14 0.527 0.709 -6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.188 -0.125 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.828 1.521 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.024 -0.869 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.385 0.461 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.763 0.121 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.140 1.732 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.743 0.643 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.521 1.927 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.379 0.435 -6.683 1.00 0.00 H new ATOM 195 N ARG A 15 2.655 2.024 -6.738 1.00 0.00 N ATOM 196 CA ARG A 15 3.928 2.679 -6.981 1.00 0.00 C ATOM 197 C ARG A 15 4.517 3.200 -5.668 1.00 0.00 C ATOM 198 O ARG A 15 3.890 3.089 -4.616 1.00 0.00 O ATOM 199 CB ARG A 15 3.770 3.845 -7.959 1.00 0.00 C ATOM 200 CG ARG A 15 3.232 3.362 -9.307 1.00 0.00 C ATOM 201 CD ARG A 15 4.363 3.202 -10.324 1.00 0.00 C ATOM 202 NE ARG A 15 4.353 4.338 -11.274 1.00 0.00 N ATOM 203 CZ ARG A 15 5.262 4.513 -12.243 1.00 0.00 C ATOM 204 NH1 ARG A 15 6.258 3.630 -12.397 1.00 0.00 N ATOM 205 NH2 ARG A 15 5.174 5.573 -13.060 1.00 0.00 N ATOM 0 H ARG A 15 1.839 2.630 -6.829 1.00 0.00 H new ATOM 0 HA ARG A 15 4.602 1.942 -7.418 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.092 4.588 -7.538 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.732 4.337 -8.103 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.718 2.410 -9.177 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.497 4.072 -9.685 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.323 3.156 -9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.246 2.263 -10.865 1.00 0.00 H new ATOM 0 HE ARG A 15 3.609 5.030 -11.185 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.325 2.823 -11.776 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.949 3.764 -13.135 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.416 6.245 -12.943 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.865 5.707 -13.798 1.00 0.00 H new ATOM 216 N VAL A 16 5.715 3.755 -5.772 1.00 0.00 N ATOM 217 CA VAL A 16 6.395 4.293 -4.607 1.00 0.00 C ATOM 218 C VAL A 16 5.517 5.366 -3.959 1.00 0.00 C ATOM 219 O VAL A 16 5.367 5.396 -2.739 1.00 0.00 O ATOM 220 CB VAL A 16 7.779 4.813 -5.001 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.295 5.828 -3.980 1.00 0.00 C ATOM 222 CG2 VAL A 16 8.769 3.658 -5.175 1.00 0.00 C ATOM 0 H VAL A 16 6.233 3.844 -6.646 1.00 0.00 H new ATOM 0 HA VAL A 16 6.555 3.511 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 16 7.685 5.322 -5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.280 6.181 -4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.607 6.672 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.366 5.355 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.745 4.054 -5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.856 3.109 -4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.412 2.987 -5.957 1.00 0.00 H new ATOM 232 N SER A 17 4.958 6.218 -4.805 1.00 0.00 N ATOM 233 CA SER A 17 4.099 7.289 -4.330 1.00 0.00 C ATOM 234 C SER A 17 2.871 6.703 -3.632 1.00 0.00 C ATOM 235 O SER A 17 2.461 7.187 -2.577 1.00 0.00 O ATOM 236 CB SER A 17 3.670 8.203 -5.481 1.00 0.00 C ATOM 237 OG SER A 17 4.003 9.566 -5.232 1.00 0.00 O ATOM 0 H SER A 17 5.083 6.189 -5.817 1.00 0.00 H new ATOM 0 HA SER A 17 4.663 7.889 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.150 7.875 -6.403 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.594 8.114 -5.633 1.00 0.00 H new ATOM 0 HG SER A 17 3.715 10.117 -5.990 1.00 0.00 H new ATOM 242 N GLU A 18 2.316 5.669 -4.248 1.00 0.00 N ATOM 243 CA GLU A 18 1.143 5.012 -3.698 1.00 0.00 C ATOM 244 C GLU A 18 1.470 4.389 -2.339 1.00 0.00 C ATOM 245 O GLU A 18 0.627 4.365 -1.443 1.00 0.00 O ATOM 246 CB GLU A 18 0.599 3.960 -4.667 1.00 0.00 C ATOM 247 CG GLU A 18 -0.161 4.617 -5.820 1.00 0.00 C ATOM 248 CD GLU A 18 0.798 5.052 -6.930 1.00 0.00 C ATOM 249 OE1 GLU A 18 1.541 6.027 -6.689 1.00 0.00 O ATOM 250 OE2 GLU A 18 0.765 4.399 -7.997 1.00 0.00 O ATOM 0 H GLU A 18 2.657 5.270 -5.123 1.00 0.00 H new ATOM 0 HA GLU A 18 0.366 5.762 -3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.422 3.364 -5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.062 3.277 -4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.895 3.918 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.712 5.482 -5.451 1.00 0.00 H new ATOM 255 N LEU A 19 2.697 3.902 -2.228 1.00 0.00 N ATOM 256 CA LEU A 19 3.146 3.280 -0.993 1.00 0.00 C ATOM 257 C LEU A 19 3.247 4.346 0.101 1.00 0.00 C ATOM 258 O LEU A 19 2.999 4.062 1.272 1.00 0.00 O ATOM 259 CB LEU A 19 4.448 2.510 -1.224 1.00 0.00 C ATOM 260 CG LEU A 19 4.383 1.375 -2.248 1.00 0.00 C ATOM 261 CD1 LEU A 19 5.669 1.309 -3.075 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.071 0.041 -1.567 1.00 0.00 C ATOM 0 H LEU A 19 3.394 3.925 -2.972 1.00 0.00 H new ATOM 0 HA LEU A 19 2.422 2.540 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.213 3.217 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.775 2.095 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 19 3.566 1.584 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.597 0.494 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.809 2.251 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.518 1.135 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.030 -0.749 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.851 -0.188 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.109 0.108 -1.058 1.00 0.00 H new ATOM 273 N GLN A 20 3.612 5.548 -0.320 1.00 0.00 N ATOM 274 CA GLN A 20 3.749 6.656 0.610 1.00 0.00 C ATOM 275 C GLN A 20 2.390 7.010 1.217 1.00 0.00 C ATOM 276 O GLN A 20 2.313 7.451 2.363 1.00 0.00 O ATOM 277 CB GLN A 20 4.378 7.872 -0.074 1.00 0.00 C ATOM 278 CG GLN A 20 5.782 7.545 -0.589 1.00 0.00 C ATOM 279 CD GLN A 20 6.741 8.710 -0.337 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.364 9.871 -0.339 1.00 0.00 O ATOM 281 NE2 GLN A 20 8.000 8.338 -0.122 1.00 0.00 N ATOM 0 H GLN A 20 3.817 5.779 -1.292 1.00 0.00 H new ATOM 0 HA GLN A 20 4.416 6.349 1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.748 8.194 -0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.429 8.704 0.629 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.155 6.648 -0.095 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.741 7.327 -1.656 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.249 7.349 -0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.717 9.042 0.055 1.00 0.00 H new ATOM 288 N VAL A 21 1.351 6.806 0.421 1.00 0.00 N ATOM 289 CA VAL A 21 -0.001 7.099 0.865 1.00 0.00 C ATOM 290 C VAL A 21 -0.385 6.133 1.987 1.00 0.00 C ATOM 291 O VAL A 21 -1.032 6.528 2.956 1.00 0.00 O ATOM 292 CB VAL A 21 -0.965 7.047 -0.323 1.00 0.00 C ATOM 293 CG1 VAL A 21 -2.316 7.667 0.040 1.00 0.00 C ATOM 294 CG2 VAL A 21 -0.360 7.732 -1.550 1.00 0.00 C ATOM 0 H VAL A 21 1.418 6.441 -0.529 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.059 8.109 1.270 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.133 5.999 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.982 7.617 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.757 7.118 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.173 8.708 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.065 7.681 -2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.149 8.776 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.565 7.228 -1.829 1.00 0.00 H new ATOM 304 N LEU A 22 0.030 4.886 1.821 1.00 0.00 N ATOM 305 CA LEU A 22 -0.262 3.861 2.808 1.00 0.00 C ATOM 306 C LEU A 22 0.317 4.283 4.160 1.00 0.00 C ATOM 307 O LEU A 22 -0.361 4.194 5.183 1.00 0.00 O ATOM 308 CB LEU A 22 0.234 2.496 2.325 1.00 0.00 C ATOM 309 CG LEU A 22 -0.811 1.601 1.657 1.00 0.00 C ATOM 310 CD1 LEU A 22 -1.736 2.419 0.754 1.00 0.00 C ATOM 311 CD2 LEU A 22 -0.144 0.450 0.902 1.00 0.00 C ATOM 0 H LEU A 22 0.567 4.562 1.017 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.339 3.754 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.050 2.657 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.650 1.960 3.178 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.431 1.158 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.470 1.759 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.251 3.174 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.147 2.908 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.909 -0.171 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.514 0.853 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.439 -0.153 1.599 1.00 0.00 H new ATOM 322 N LEU A 23 1.562 4.732 4.121 1.00 0.00 N ATOM 323 CA LEU A 23 2.239 5.167 5.331 1.00 0.00 C ATOM 324 C LEU A 23 1.702 6.539 5.746 1.00 0.00 C ATOM 325 O LEU A 23 1.453 6.782 6.925 1.00 0.00 O ATOM 326 CB LEU A 23 3.756 5.133 5.138 1.00 0.00 C ATOM 327 CG LEU A 23 4.379 3.748 4.956 1.00 0.00 C ATOM 328 CD1 LEU A 23 3.616 2.694 5.761 1.00 0.00 C ATOM 329 CD2 LEU A 23 4.473 3.379 3.474 1.00 0.00 C ATOM 0 H LEU A 23 2.120 4.804 3.270 1.00 0.00 H new ATOM 0 HA LEU A 23 2.030 4.481 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.005 5.739 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.223 5.609 6.001 1.00 0.00 H new ATOM 0 HG LEU A 23 5.397 3.778 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.079 1.718 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.644 2.954 6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.580 2.658 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.919 2.390 3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.475 3.373 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.092 4.111 2.955 1.00 0.00 H new ATOM 340 N GLY A 24 1.540 7.400 4.751 1.00 0.00 N ATOM 341 CA GLY A 24 1.036 8.740 4.997 1.00 0.00 C ATOM 342 C GLY A 24 -0.358 8.696 5.627 1.00 0.00 C ATOM 343 O GLY A 24 -0.626 9.400 6.600 1.00 0.00 O ATOM 0 H GLY A 24 1.749 7.195 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.720 9.274 5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.998 9.296 4.060 1.00 0.00 H new ATOM 347 N TYR A 25 -1.208 7.862 5.047 1.00 0.00 N ATOM 348 CA TYR A 25 -2.566 7.716 5.540 1.00 0.00 C ATOM 349 C TYR A 25 -2.601 6.866 6.811 1.00 0.00 C ATOM 350 O TYR A 25 -3.619 6.815 7.501 1.00 0.00 O ATOM 351 CB TYR A 25 -3.340 6.993 4.435 1.00 0.00 C ATOM 352 CG TYR A 25 -4.858 7.170 4.520 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.392 8.399 4.853 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.692 6.103 4.263 1.00 0.00 C ATOM 355 CE1 TYR A 25 -6.819 8.566 4.934 1.00 0.00 C ATOM 356 CE2 TYR A 25 -7.120 6.269 4.343 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.613 7.492 4.674 1.00 0.00 C ATOM 358 OH TYR A 25 -8.962 7.650 4.749 1.00 0.00 O ATOM 0 H TYR A 25 -0.982 7.280 4.240 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.993 8.689 5.782 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.996 7.357 3.467 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.106 5.929 4.478 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.738 9.235 5.053 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.274 5.142 4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.250 9.521 5.195 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.784 5.441 4.145 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.405 6.891 4.314 1.00 0.00 H new ATOM 367 N ALA A 26 -1.477 6.219 7.083 1.00 0.00 N ATOM 368 CA ALA A 26 -1.366 5.373 8.259 1.00 0.00 C ATOM 369 C ALA A 26 -0.459 6.053 9.286 1.00 0.00 C ATOM 370 O ALA A 26 0.014 5.411 10.223 1.00 0.00 O ATOM 371 CB ALA A 26 -0.850 3.993 7.848 1.00 0.00 C ATOM 0 H ALA A 26 -0.635 6.264 6.509 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.342 5.231 8.724 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.767 3.358 8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.545 3.541 7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.129 4.095 7.381 1.00 0.00 H new ATOM 377 N GLY A 27 -0.245 7.344 9.078 1.00 0.00 N ATOM 378 CA GLY A 27 0.597 8.117 9.974 1.00 0.00 C ATOM 379 C GLY A 27 1.917 7.393 10.248 1.00 0.00 C ATOM 380 O GLY A 27 2.292 7.192 11.403 1.00 0.00 O ATOM 0 H GLY A 27 -0.641 7.874 8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.799 9.095 9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.072 8.290 10.913 1.00 0.00 H new ATOM 384 N ARG A 28 2.586 7.020 9.167 1.00 0.00 N ATOM 385 CA ARG A 28 3.856 6.324 9.275 1.00 0.00 C ATOM 386 C ARG A 28 4.953 7.101 8.545 1.00 0.00 C ATOM 387 O ARG A 28 4.669 8.066 7.837 1.00 0.00 O ATOM 388 CB ARG A 28 3.763 4.914 8.689 1.00 0.00 C ATOM 389 CG ARG A 28 2.891 4.012 9.565 1.00 0.00 C ATOM 390 CD ARG A 28 3.698 3.434 10.730 1.00 0.00 C ATOM 391 NE ARG A 28 3.537 4.287 11.929 1.00 0.00 N ATOM 392 CZ ARG A 28 2.389 4.419 12.608 1.00 0.00 C ATOM 393 NH1 ARG A 28 1.295 3.756 12.210 1.00 0.00 N ATOM 394 NH2 ARG A 28 2.336 5.215 13.684 1.00 0.00 N ATOM 0 H ARG A 28 2.272 7.187 8.211 1.00 0.00 H new ATOM 0 HA ARG A 28 4.103 6.250 10.334 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.347 4.961 7.683 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.762 4.486 8.601 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.045 4.581 9.951 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.481 3.201 8.963 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.363 2.420 10.947 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.751 3.370 10.457 1.00 0.00 H new ATOM 0 HE ARG A 28 4.350 4.807 12.259 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.336 3.151 11.390 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.421 3.857 12.727 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.169 5.720 13.986 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.463 5.316 14.201 1.00 0.00 H new ATOM 405 N ASN A 29 6.184 6.653 8.742 1.00 0.00 N ATOM 406 CA ASN A 29 7.324 7.294 8.111 1.00 0.00 C ATOM 407 C ASN A 29 7.517 6.717 6.707 1.00 0.00 C ATOM 408 O ASN A 29 7.607 5.502 6.539 1.00 0.00 O ATOM 409 CB ASN A 29 8.608 7.041 8.904 1.00 0.00 C ATOM 410 CG ASN A 29 9.842 7.437 8.092 1.00 0.00 C ATOM 411 OD1 ASN A 29 10.234 6.772 7.147 1.00 0.00 O ATOM 412 ND2 ASN A 29 10.431 8.553 8.511 1.00 0.00 N ATOM 0 H ASN A 29 6.417 5.853 9.330 1.00 0.00 H new ATOM 0 HA ASN A 29 7.128 8.366 8.073 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.583 7.609 9.834 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.670 5.987 9.176 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.263 8.900 8.034 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.051 9.062 9.309 1.00 0.00 H new ATOM 418 N LYS A 30 7.572 7.615 5.734 1.00 0.00 N ATOM 419 CA LYS A 30 7.752 7.210 4.350 1.00 0.00 C ATOM 420 C LYS A 30 8.967 7.933 3.765 1.00 0.00 C ATOM 421 O LYS A 30 8.881 9.104 3.400 1.00 0.00 O ATOM 422 CB LYS A 30 6.463 7.431 3.556 1.00 0.00 C ATOM 423 CG LYS A 30 6.230 8.921 3.294 1.00 0.00 C ATOM 424 CD LYS A 30 4.746 9.273 3.413 1.00 0.00 C ATOM 425 CE LYS A 30 4.393 10.469 2.527 1.00 0.00 C ATOM 426 NZ LYS A 30 2.988 10.378 2.069 1.00 0.00 N ATOM 0 H LYS A 30 7.495 8.622 5.877 1.00 0.00 H new ATOM 0 HA LYS A 30 7.958 6.141 4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.519 6.896 2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.617 7.018 4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.806 9.513 4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.590 9.179 2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.141 8.413 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.505 9.501 4.451 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.542 11.396 3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.061 10.501 1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.939 10.597 1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.631 9.415 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.406 11.058 2.598 1.00 0.00 H new ATOM 436 N HIS A 31 10.072 7.205 3.696 1.00 0.00 N ATOM 437 CA HIS A 31 11.302 7.762 3.162 1.00 0.00 C ATOM 438 C HIS A 31 12.341 6.650 2.998 1.00 0.00 C ATOM 439 O HIS A 31 13.057 6.321 3.942 1.00 0.00 O ATOM 440 CB HIS A 31 11.801 8.914 4.035 1.00 0.00 C ATOM 441 CG HIS A 31 11.649 10.277 3.401 1.00 0.00 C ATOM 442 ND1 HIS A 31 10.914 11.295 3.981 1.00 0.00 N ATOM 443 CD2 HIS A 31 12.144 10.776 2.233 1.00 0.00 C ATOM 444 CE1 HIS A 31 10.971 12.356 3.189 1.00 0.00 C ATOM 445 NE2 HIS A 31 11.734 12.031 2.105 1.00 0.00 N ATOM 0 H HIS A 31 10.141 6.234 4.001 1.00 0.00 H new ATOM 0 HA HIS A 31 11.114 8.185 2.175 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.258 8.902 4.980 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.853 8.749 4.270 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.765 10.240 1.531 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.497 13.310 3.369 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.953 12.651 1.325 1.00 0.00 H new ATOM 452 N GLY A 32 12.388 6.101 1.793 1.00 0.00 N ATOM 453 CA GLY A 32 13.327 5.034 1.494 1.00 0.00 C ATOM 454 C GLY A 32 13.083 4.465 0.093 1.00 0.00 C ATOM 455 O GLY A 32 12.377 5.071 -0.711 1.00 0.00 O ATOM 0 H GLY A 32 11.791 6.375 1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.347 5.412 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.229 4.240 2.235 1.00 0.00 H new ATOM 459 N ARG A 33 13.681 3.310 -0.154 1.00 0.00 N ATOM 460 CA ARG A 33 13.539 2.654 -1.442 1.00 0.00 C ATOM 461 C ARG A 33 12.216 1.888 -1.504 1.00 0.00 C ATOM 462 O ARG A 33 11.542 1.720 -0.488 1.00 0.00 O ATOM 463 CB ARG A 33 14.694 1.683 -1.697 1.00 0.00 C ATOM 464 CG ARG A 33 15.988 2.440 -2.000 1.00 0.00 C ATOM 465 CD ARG A 33 17.207 1.668 -1.490 1.00 0.00 C ATOM 466 NE ARG A 33 18.450 2.303 -1.980 1.00 0.00 N ATOM 467 CZ ARG A 33 19.021 3.374 -1.411 1.00 0.00 C ATOM 468 NH1 ARG A 33 18.464 3.936 -0.330 1.00 0.00 N ATOM 469 NH2 ARG A 33 20.150 3.883 -1.924 1.00 0.00 N ATOM 0 H ARG A 33 14.266 2.811 0.517 1.00 0.00 H new ATOM 0 HA ARG A 33 13.553 3.427 -2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.837 1.045 -0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.446 1.029 -2.533 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.077 2.599 -3.075 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.955 3.425 -1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.205 1.647 -0.400 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.160 0.633 -1.828 1.00 0.00 H new ATOM 0 HE ARG A 33 18.901 1.901 -2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.605 3.549 0.061 1.00 0.00 H new ATOM 0 HH12 ARG A 33 18.899 4.751 0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.574 3.455 -2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 33 20.585 4.698 -1.491 1.00 0.00 H new ATOM 480 N LYS A 34 11.881 1.445 -2.707 1.00 0.00 N ATOM 481 CA LYS A 34 10.650 0.701 -2.915 1.00 0.00 C ATOM 482 C LYS A 34 10.623 -0.506 -1.974 1.00 0.00 C ATOM 483 O LYS A 34 9.585 -0.828 -1.400 1.00 0.00 O ATOM 484 CB LYS A 34 10.488 0.334 -4.391 1.00 0.00 C ATOM 485 CG LYS A 34 9.243 -0.528 -4.609 1.00 0.00 C ATOM 486 CD LYS A 34 8.076 0.316 -5.125 1.00 0.00 C ATOM 487 CE LYS A 34 8.148 0.479 -6.645 1.00 0.00 C ATOM 488 NZ LYS A 34 6.922 1.135 -7.155 1.00 0.00 N ATOM 0 H LYS A 34 12.441 1.587 -3.548 1.00 0.00 H new ATOM 0 HA LYS A 34 9.786 1.318 -2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.415 1.242 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.372 -0.204 -4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.466 -1.322 -5.322 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.962 -1.010 -3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.132 -0.155 -4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.093 1.296 -4.649 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.023 1.072 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.268 -0.497 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.464 0.518 -7.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.267 1.309 -6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.173 2.040 -7.603 1.00 0.00 H new ATOM 498 N HIS A 35 11.779 -1.142 -1.847 1.00 0.00 N ATOM 499 CA HIS A 35 11.902 -2.306 -0.987 1.00 0.00 C ATOM 500 C HIS A 35 11.500 -1.935 0.441 1.00 0.00 C ATOM 501 O HIS A 35 10.775 -2.678 1.100 1.00 0.00 O ATOM 502 CB HIS A 35 13.310 -2.898 -1.072 1.00 0.00 C ATOM 503 CG HIS A 35 13.465 -4.220 -0.357 1.00 0.00 C ATOM 504 ND1 HIS A 35 13.583 -5.425 -1.028 1.00 0.00 N ATOM 505 CD2 HIS A 35 13.520 -4.513 0.973 1.00 0.00 C ATOM 506 CE1 HIS A 35 13.703 -6.392 -0.131 1.00 0.00 C ATOM 507 NE2 HIS A 35 13.663 -5.825 1.109 1.00 0.00 N ATOM 0 H HIS A 35 12.639 -0.873 -2.326 1.00 0.00 H new ATOM 0 HA HIS A 35 11.221 -3.087 -1.327 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.574 -3.031 -2.121 1.00 0.00 H new ATOM 0 HB3 HIS A 35 14.019 -2.184 -0.652 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.458 -3.798 1.780 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.813 -7.445 -0.344 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.732 -6.327 1.994 1.00 0.00 H new ATOM 514 N GLU A 36 11.987 -0.783 0.878 1.00 0.00 N ATOM 515 CA GLU A 36 11.689 -0.302 2.216 1.00 0.00 C ATOM 516 C GLU A 36 10.197 0.013 2.346 1.00 0.00 C ATOM 517 O GLU A 36 9.562 -0.367 3.328 1.00 0.00 O ATOM 518 CB GLU A 36 12.539 0.920 2.563 1.00 0.00 C ATOM 519 CG GLU A 36 14.030 0.577 2.537 1.00 0.00 C ATOM 520 CD GLU A 36 14.682 0.861 3.892 1.00 0.00 C ATOM 521 OE1 GLU A 36 13.961 0.737 4.906 1.00 0.00 O ATOM 522 OE2 GLU A 36 15.886 1.196 3.884 1.00 0.00 O ATOM 0 H GLU A 36 12.587 -0.168 0.328 1.00 0.00 H new ATOM 0 HA GLU A 36 11.939 -1.089 2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.335 1.723 1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.264 1.290 3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.161 -0.474 2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.527 1.159 1.761 1.00 0.00 H new ATOM 527 N LEU A 37 9.682 0.705 1.340 1.00 0.00 N ATOM 528 CA LEU A 37 8.277 1.076 1.329 1.00 0.00 C ATOM 529 C LEU A 37 7.421 -0.187 1.217 1.00 0.00 C ATOM 530 O LEU A 37 6.360 -0.280 1.833 1.00 0.00 O ATOM 531 CB LEU A 37 8.003 2.104 0.229 1.00 0.00 C ATOM 532 CG LEU A 37 8.724 3.446 0.370 1.00 0.00 C ATOM 533 CD1 LEU A 37 8.826 4.158 -0.979 1.00 0.00 C ATOM 534 CD2 LEU A 37 8.051 4.321 1.430 1.00 0.00 C ATOM 0 H LEU A 37 10.212 1.018 0.527 1.00 0.00 H new ATOM 0 HA LEU A 37 8.005 1.564 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.280 1.664 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.930 2.293 0.195 1.00 0.00 H new ATOM 0 HG LEU A 37 9.742 3.253 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.343 5.109 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.383 3.534 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.825 4.339 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.583 5.269 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.016 4.509 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.074 3.809 2.392 1.00 0.00 H new ATOM 545 N LEU A 38 7.914 -1.129 0.425 1.00 0.00 N ATOM 546 CA LEU A 38 7.208 -2.384 0.225 1.00 0.00 C ATOM 547 C LEU A 38 7.020 -3.080 1.574 1.00 0.00 C ATOM 548 O LEU A 38 5.910 -3.477 1.922 1.00 0.00 O ATOM 549 CB LEU A 38 7.927 -3.243 -0.815 1.00 0.00 C ATOM 550 CG LEU A 38 7.281 -3.301 -2.201 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.070 -4.236 -2.203 1.00 0.00 C ATOM 552 CD2 LEU A 38 6.922 -1.899 -2.698 1.00 0.00 C ATOM 0 H LEU A 38 8.793 -1.048 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 38 6.213 -2.200 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.944 -2.868 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.002 -4.259 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 38 8.009 -3.714 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.630 -4.259 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.386 -5.241 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.331 -3.875 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.465 -1.969 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.220 -1.436 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.825 -1.292 -2.759 1.00 0.00 H new ATOM 563 N THR A 39 8.124 -3.206 2.298 1.00 0.00 N ATOM 564 CA THR A 39 8.094 -3.847 3.601 1.00 0.00 C ATOM 565 C THR A 39 7.212 -3.054 4.567 1.00 0.00 C ATOM 566 O THR A 39 6.521 -3.634 5.402 1.00 0.00 O ATOM 567 CB THR A 39 9.538 -4.001 4.084 1.00 0.00 C ATOM 568 OG1 THR A 39 10.061 -5.057 3.282 1.00 0.00 O ATOM 569 CG2 THR A 39 9.623 -4.543 5.513 1.00 0.00 C ATOM 0 H THR A 39 9.044 -2.875 2.006 1.00 0.00 H new ATOM 0 HA THR A 39 7.646 -4.839 3.543 1.00 0.00 H new ATOM 0 HB THR A 39 10.043 -3.037 4.030 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.995 -5.222 3.528 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.669 -4.633 5.806 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.113 -3.860 6.192 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.148 -5.523 5.559 1.00 0.00 H new ATOM 577 N LYS A 40 7.264 -1.737 4.420 1.00 0.00 N ATOM 578 CA LYS A 40 6.478 -0.858 5.268 1.00 0.00 C ATOM 579 C LYS A 40 4.990 -1.096 5.002 1.00 0.00 C ATOM 580 O LYS A 40 4.192 -1.163 5.935 1.00 0.00 O ATOM 581 CB LYS A 40 6.912 0.597 5.080 1.00 0.00 C ATOM 582 CG LYS A 40 7.887 1.025 6.179 1.00 0.00 C ATOM 583 CD LYS A 40 9.141 1.664 5.580 1.00 0.00 C ATOM 584 CE LYS A 40 9.221 3.150 5.934 1.00 0.00 C ATOM 585 NZ LYS A 40 10.433 3.760 5.341 1.00 0.00 N ATOM 0 H LYS A 40 7.838 -1.259 3.726 1.00 0.00 H new ATOM 0 HA LYS A 40 6.654 -1.085 6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.383 0.717 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.036 1.246 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.398 1.733 6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.167 0.159 6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.028 1.150 5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.132 1.544 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.332 3.665 5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.238 3.271 7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.472 4.769 5.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.279 3.279 5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.401 3.661 4.306 1.00 0.00 H new ATOM 595 N ALA A 41 4.662 -1.215 3.724 1.00 0.00 N ATOM 596 CA ALA A 41 3.284 -1.443 3.323 1.00 0.00 C ATOM 597 C ALA A 41 2.867 -2.858 3.730 1.00 0.00 C ATOM 598 O ALA A 41 1.762 -3.064 4.229 1.00 0.00 O ATOM 599 CB ALA A 41 3.143 -1.203 1.819 1.00 0.00 C ATOM 0 H ALA A 41 5.327 -1.158 2.953 1.00 0.00 H new ATOM 0 HA ALA A 41 2.617 -0.744 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.109 -1.374 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.423 -0.176 1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.796 -1.888 1.278 1.00 0.00 H new ATOM 605 N LEU A 42 3.773 -3.797 3.499 1.00 0.00 N ATOM 606 CA LEU A 42 3.513 -5.186 3.835 1.00 0.00 C ATOM 607 C LEU A 42 3.382 -5.324 5.353 1.00 0.00 C ATOM 608 O LEU A 42 2.449 -5.958 5.843 1.00 0.00 O ATOM 609 CB LEU A 42 4.585 -6.093 3.225 1.00 0.00 C ATOM 610 CG LEU A 42 4.633 -6.141 1.697 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.830 -7.574 1.199 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.390 -5.489 1.088 1.00 0.00 C ATOM 0 H LEU A 42 4.688 -3.623 3.083 1.00 0.00 H new ATOM 0 HA LEU A 42 2.567 -5.512 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.559 -5.766 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.429 -7.106 3.596 1.00 0.00 H new ATOM 0 HG LEU A 42 5.495 -5.563 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.861 -7.580 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.767 -7.970 1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.003 -8.195 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.450 -5.537 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.499 -6.018 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.334 -4.447 1.403 1.00 0.00 H new ATOM 623 N HIS A 43 4.330 -4.719 6.053 1.00 0.00 N ATOM 624 CA HIS A 43 4.332 -4.767 7.506 1.00 0.00 C ATOM 625 C HIS A 43 3.042 -4.141 8.041 1.00 0.00 C ATOM 626 O HIS A 43 2.568 -4.509 9.116 1.00 0.00 O ATOM 627 CB HIS A 43 5.590 -4.105 8.070 1.00 0.00 C ATOM 628 CG HIS A 43 5.868 -4.443 9.515 1.00 0.00 C ATOM 629 ND1 HIS A 43 5.109 -3.947 10.561 1.00 0.00 N ATOM 630 CD2 HIS A 43 6.827 -5.235 10.077 1.00 0.00 C ATOM 631 CE1 HIS A 43 5.600 -4.423 11.696 1.00 0.00 C ATOM 632 NE2 HIS A 43 6.664 -5.221 11.393 1.00 0.00 N ATOM 0 H HIS A 43 5.101 -4.193 5.642 1.00 0.00 H new ATOM 0 HA HIS A 43 4.358 -5.804 7.839 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.447 -4.404 7.466 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.494 -3.024 7.973 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.589 -5.781 9.541 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.224 -4.216 12.687 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.240 -5.724 12.068 1.00 0.00 H new ATOM 639 N LEU A 44 2.510 -3.206 7.268 1.00 0.00 N ATOM 640 CA LEU A 44 1.284 -2.526 7.650 1.00 0.00 C ATOM 641 C LEU A 44 0.161 -3.554 7.798 1.00 0.00 C ATOM 642 O LEU A 44 -0.609 -3.503 8.756 1.00 0.00 O ATOM 643 CB LEU A 44 0.964 -1.403 6.662 1.00 0.00 C ATOM 644 CG LEU A 44 1.123 0.023 7.193 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.674 1.049 6.151 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.388 0.198 8.524 1.00 0.00 C ATOM 0 H LEU A 44 2.906 -2.903 6.378 1.00 0.00 H new ATOM 0 HA LEU A 44 1.403 -2.042 8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.608 -1.519 5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.063 -1.529 6.319 1.00 0.00 H new ATOM 0 HG LEU A 44 2.181 0.200 7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.797 2.054 6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.279 0.942 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.375 0.883 5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.517 1.220 8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.673 -0.006 8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.796 -0.496 9.259 1.00 0.00 H new ATOM 657 N LEU A 45 0.102 -4.462 6.836 1.00 0.00 N ATOM 658 CA LEU A 45 -0.915 -5.501 6.846 1.00 0.00 C ATOM 659 C LEU A 45 -0.737 -6.368 8.095 1.00 0.00 C ATOM 660 O LEU A 45 -1.689 -6.588 8.843 1.00 0.00 O ATOM 661 CB LEU A 45 -0.886 -6.292 5.538 1.00 0.00 C ATOM 662 CG LEU A 45 -1.612 -5.653 4.352 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.709 -4.653 3.630 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.158 -6.722 3.402 1.00 0.00 C ATOM 0 H LEU A 45 0.742 -4.500 6.043 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.911 -5.061 6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.155 -6.454 5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.323 -7.274 5.720 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.467 -5.096 4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.250 -4.214 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.412 -3.866 4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.179 -5.166 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.669 -6.241 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.334 -7.327 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.860 -7.361 3.938 1.00 0.00 H new ATOM 675 N LYS A 46 0.488 -6.839 8.279 1.00 0.00 N ATOM 676 CA LYS A 46 0.801 -7.678 9.423 1.00 0.00 C ATOM 677 C LYS A 46 0.638 -6.863 10.708 1.00 0.00 C ATOM 678 O LYS A 46 0.343 -7.417 11.766 1.00 0.00 O ATOM 679 CB LYS A 46 2.188 -8.304 9.264 1.00 0.00 C ATOM 680 CG LYS A 46 2.225 -9.713 9.860 1.00 0.00 C ATOM 681 CD LYS A 46 2.934 -10.688 8.918 1.00 0.00 C ATOM 682 CE LYS A 46 1.932 -11.631 8.250 1.00 0.00 C ATOM 683 NZ LYS A 46 2.199 -11.727 6.797 1.00 0.00 N ATOM 0 H LYS A 46 1.274 -6.656 7.656 1.00 0.00 H new ATOM 0 HA LYS A 46 0.104 -8.514 9.485 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.454 -8.345 8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.932 -7.678 9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.739 -9.692 10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.209 -10.059 10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.479 -10.131 8.156 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.669 -11.268 9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.996 -12.620 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.917 -11.270 8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.510 -12.371 6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.115 -10.784 6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.160 -12.093 6.644 1.00 0.00 H new ATOM 693 N ALA A 47 0.838 -5.560 10.574 1.00 0.00 N ATOM 694 CA ALA A 47 0.717 -4.663 11.710 1.00 0.00 C ATOM 695 C ALA A 47 -0.760 -4.345 11.949 1.00 0.00 C ATOM 696 O ALA A 47 -1.116 -3.759 12.970 1.00 0.00 O ATOM 697 CB ALA A 47 1.552 -3.406 11.460 1.00 0.00 C ATOM 0 H ALA A 47 1.083 -5.104 9.695 1.00 0.00 H new ATOM 0 HA ALA A 47 1.102 -5.135 12.614 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.461 -2.733 12.313 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.598 -3.684 11.327 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.193 -2.904 10.562 1.00 0.00 H new ATOM 703 N GLY A 48 -1.581 -4.746 10.990 1.00 0.00 N ATOM 704 CA GLY A 48 -3.012 -4.511 11.082 1.00 0.00 C ATOM 705 C GLY A 48 -3.449 -3.406 10.119 1.00 0.00 C ATOM 706 O GLY A 48 -4.084 -3.680 9.101 1.00 0.00 O ATOM 0 H GLY A 48 -1.282 -5.233 10.145 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.551 -5.431 10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.274 -4.233 12.103 1.00 0.00 H new ATOM 710 N CYS A 49 -3.094 -2.181 10.474 1.00 0.00 N ATOM 711 CA CYS A 49 -3.442 -1.032 9.654 1.00 0.00 C ATOM 712 C CYS A 49 -4.966 -0.921 9.605 1.00 0.00 C ATOM 713 O CYS A 49 -5.664 -1.932 9.530 1.00 0.00 O ATOM 714 CB CYS A 49 -2.831 -1.131 8.255 1.00 0.00 C ATOM 715 SG CYS A 49 -2.802 0.520 7.466 1.00 0.00 S ATOM 0 H CYS A 49 -2.568 -1.958 11.319 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.028 -0.126 10.097 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.819 -1.530 8.319 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.410 -1.825 7.645 1.00 0.00 H new ATOM 0 HG CYS A 49 -2.275 1.383 8.284 1.00 0.00 H new ATOM 720 N SER A 50 -5.440 0.315 9.649 1.00 0.00 N ATOM 721 CA SER A 50 -6.870 0.570 9.610 1.00 0.00 C ATOM 722 C SER A 50 -7.448 0.111 8.270 1.00 0.00 C ATOM 723 O SER A 50 -6.705 -0.125 7.318 1.00 0.00 O ATOM 724 CB SER A 50 -7.170 2.054 9.836 1.00 0.00 C ATOM 725 OG SER A 50 -7.791 2.286 11.097 1.00 0.00 O ATOM 0 H SER A 50 -4.859 1.151 9.711 1.00 0.00 H new ATOM 0 HA SER A 50 -7.340 0.004 10.414 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.243 2.624 9.778 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.819 2.418 9.040 1.00 0.00 H new ATOM 0 HG SER A 50 -7.965 3.244 11.205 1.00 0.00 H new ATOM 730 N PRO A 51 -8.802 -0.006 8.238 1.00 0.00 N ATOM 731 CA PRO A 51 -9.488 -0.434 7.030 1.00 0.00 C ATOM 732 C PRO A 51 -9.526 0.691 5.994 1.00 0.00 C ATOM 733 O PRO A 51 -9.782 0.446 4.816 1.00 0.00 O ATOM 734 CB PRO A 51 -10.872 -0.860 7.493 1.00 0.00 C ATOM 735 CG PRO A 51 -11.069 -0.224 8.860 1.00 0.00 C ATOM 736 CD PRO A 51 -9.713 0.265 9.346 1.00 0.00 C ATOM 0 HA PRO A 51 -8.980 -1.257 6.527 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.638 -0.526 6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.947 -1.946 7.553 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.774 0.605 8.797 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.488 -0.946 9.560 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.738 1.328 9.587 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.404 -0.259 10.250 1.00 0.00 H new ATOM 741 N ALA A 52 -9.266 1.900 6.469 1.00 0.00 N ATOM 742 CA ALA A 52 -9.267 3.063 5.599 1.00 0.00 C ATOM 743 C ALA A 52 -8.113 2.948 4.600 1.00 0.00 C ATOM 744 O ALA A 52 -8.255 3.321 3.436 1.00 0.00 O ATOM 745 CB ALA A 52 -9.182 4.335 6.444 1.00 0.00 C ATOM 0 H ALA A 52 -9.053 2.099 7.446 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.194 3.114 5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.183 5.207 5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.039 4.384 7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.263 4.322 7.030 1.00 0.00 H new ATOM 751 N VAL A 53 -6.998 2.430 5.092 1.00 0.00 N ATOM 752 CA VAL A 53 -5.820 2.261 4.257 1.00 0.00 C ATOM 753 C VAL A 53 -6.073 1.140 3.247 1.00 0.00 C ATOM 754 O VAL A 53 -5.652 1.232 2.094 1.00 0.00 O ATOM 755 CB VAL A 53 -4.590 2.011 5.131 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.355 1.728 4.273 1.00 0.00 C ATOM 757 CG2 VAL A 53 -4.341 3.188 6.077 1.00 0.00 C ATOM 0 H VAL A 53 -6.885 2.122 6.058 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.620 3.171 3.691 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.786 1.127 5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.495 1.554 4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.533 0.845 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.156 2.584 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.461 2.985 6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.177 4.095 5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.207 3.324 6.724 1.00 0.00 H new ATOM 767 N GLN A 54 -6.759 0.108 3.715 1.00 0.00 N ATOM 768 CA GLN A 54 -7.073 -1.029 2.867 1.00 0.00 C ATOM 769 C GLN A 54 -7.907 -0.581 1.665 1.00 0.00 C ATOM 770 O GLN A 54 -7.678 -1.032 0.544 1.00 0.00 O ATOM 771 CB GLN A 54 -7.795 -2.120 3.659 1.00 0.00 C ATOM 772 CG GLN A 54 -6.859 -2.766 4.682 1.00 0.00 C ATOM 773 CD GLN A 54 -7.328 -4.178 5.042 1.00 0.00 C ATOM 774 OE1 GLN A 54 -8.172 -4.765 4.385 1.00 0.00 O ATOM 775 NE2 GLN A 54 -6.735 -4.688 6.118 1.00 0.00 N ATOM 0 H GLN A 54 -7.106 0.035 4.671 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.138 -1.451 2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.658 -1.693 4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.173 -2.880 2.976 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.847 -2.807 4.279 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.819 -2.152 5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.036 -4.142 6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.979 -5.625 6.439 1.00 0.00 H new ATOM 782 N MET A 55 -8.857 0.300 1.940 1.00 0.00 N ATOM 783 CA MET A 55 -9.726 0.815 0.896 1.00 0.00 C ATOM 784 C MET A 55 -8.955 1.728 -0.059 1.00 0.00 C ATOM 785 O MET A 55 -9.228 1.750 -1.259 1.00 0.00 O ATOM 786 CB MET A 55 -10.879 1.596 1.530 1.00 0.00 C ATOM 787 CG MET A 55 -11.772 0.674 2.363 1.00 0.00 C ATOM 788 SD MET A 55 -12.629 -0.473 1.298 1.00 0.00 S ATOM 789 CE MET A 55 -14.295 -0.277 1.908 1.00 0.00 C ATOM 0 H MET A 55 -9.044 0.671 2.872 1.00 0.00 H new ATOM 0 HA MET A 55 -10.117 -0.028 0.326 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.481 2.391 2.161 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.471 2.075 0.750 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.169 0.128 3.088 1.00 0.00 H new ATOM 0 HG3 MET A 55 -12.492 1.265 2.928 1.00 0.00 H new ATOM 0 HE1 MET A 55 -14.967 -0.928 1.348 1.00 0.00 H new ATOM 0 HE2 MET A 55 -14.329 -0.543 2.964 1.00 0.00 H new ATOM 0 HE3 MET A 55 -14.608 0.760 1.785 1.00 0.00 H new ATOM 797 N LYS A 56 -8.006 2.459 0.508 1.00 0.00 N ATOM 798 CA LYS A 56 -7.193 3.371 -0.278 1.00 0.00 C ATOM 799 C LYS A 56 -6.410 2.576 -1.325 1.00 0.00 C ATOM 800 O LYS A 56 -6.079 3.101 -2.386 1.00 0.00 O ATOM 801 CB LYS A 56 -6.310 4.224 0.635 1.00 0.00 C ATOM 802 CG LYS A 56 -5.778 5.451 -0.108 1.00 0.00 C ATOM 803 CD LYS A 56 -6.894 6.468 -0.357 1.00 0.00 C ATOM 804 CE LYS A 56 -6.823 7.617 0.651 1.00 0.00 C ATOM 805 NZ LYS A 56 -5.783 8.592 0.251 1.00 0.00 N ATOM 0 H LYS A 56 -7.782 2.438 1.503 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.825 4.075 -0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.882 4.542 1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.476 3.626 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.981 5.915 0.473 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.342 5.144 -1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.812 6.862 -1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.863 5.975 -0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.791 8.114 0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.600 7.225 1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.386 9.044 1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.026 8.100 -0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.205 9.318 -0.363 1.00 0.00 H new ATOM 815 N ILE A 57 -6.136 1.324 -0.988 1.00 0.00 N ATOM 816 CA ILE A 57 -5.397 0.453 -1.885 1.00 0.00 C ATOM 817 C ILE A 57 -6.220 0.218 -3.154 1.00 0.00 C ATOM 818 O ILE A 57 -5.689 0.275 -4.262 1.00 0.00 O ATOM 819 CB ILE A 57 -4.994 -0.837 -1.168 1.00 0.00 C ATOM 820 CG1 ILE A 57 -4.086 -0.539 0.027 1.00 0.00 C ATOM 821 CG2 ILE A 57 -4.353 -1.829 -2.140 1.00 0.00 C ATOM 822 CD1 ILE A 57 -4.129 -1.678 1.048 1.00 0.00 C ATOM 0 H ILE A 57 -6.413 0.893 -0.106 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.464 0.926 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.897 -1.307 -0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.062 -0.394 -0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.398 0.391 0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.076 -2.737 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.063 -2.076 -2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.462 -1.382 -2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.475 -1.440 1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.150 -1.805 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.793 -2.602 0.577 1.00 0.00 H new ATOM 833 N LYS A 58 -7.504 -0.039 -2.950 1.00 0.00 N ATOM 834 CA LYS A 58 -8.405 -0.281 -4.063 1.00 0.00 C ATOM 835 C LYS A 58 -8.394 0.932 -4.995 1.00 0.00 C ATOM 836 O LYS A 58 -8.504 0.785 -6.212 1.00 0.00 O ATOM 837 CB LYS A 58 -9.798 -0.653 -3.553 1.00 0.00 C ATOM 838 CG LYS A 58 -9.808 -2.064 -2.960 1.00 0.00 C ATOM 839 CD LYS A 58 -10.919 -2.214 -1.920 1.00 0.00 C ATOM 840 CE LYS A 58 -12.215 -2.705 -2.569 1.00 0.00 C ATOM 841 NZ LYS A 58 -13.374 -2.416 -1.695 1.00 0.00 N ATOM 0 H LYS A 58 -7.941 -0.085 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.067 -1.136 -4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.116 0.065 -2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.516 -0.594 -4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.949 -2.796 -3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.843 -2.276 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.606 -2.916 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.094 -1.257 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.351 -2.220 -3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.152 -3.777 -2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.798 -3.310 -1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.058 -1.866 -0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.081 -1.869 -2.226 1.00 0.00 H new ATOM 851 N GLU A 59 -8.263 2.102 -4.389 1.00 0.00 N ATOM 852 CA GLU A 59 -8.236 3.340 -5.151 1.00 0.00 C ATOM 853 C GLU A 59 -6.904 3.481 -5.889 1.00 0.00 C ATOM 854 O GLU A 59 -6.879 3.741 -7.091 1.00 0.00 O ATOM 855 CB GLU A 59 -8.493 4.546 -4.245 1.00 0.00 C ATOM 856 CG GLU A 59 -9.462 4.188 -3.117 1.00 0.00 C ATOM 857 CD GLU A 59 -10.623 3.340 -3.640 1.00 0.00 C ATOM 858 OE1 GLU A 59 -11.467 3.915 -4.360 1.00 0.00 O ATOM 859 OE2 GLU A 59 -10.639 2.135 -3.309 1.00 0.00 O ATOM 0 H GLU A 59 -8.174 2.220 -3.380 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.036 3.306 -5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.551 4.895 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.902 5.367 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.931 3.643 -2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.849 5.100 -2.662 1.00 0.00 H new ATOM 864 N LEU A 60 -5.826 3.304 -5.138 1.00 0.00 N ATOM 865 CA LEU A 60 -4.493 3.409 -5.705 1.00 0.00 C ATOM 866 C LEU A 60 -4.334 2.372 -6.820 1.00 0.00 C ATOM 867 O LEU A 60 -3.775 2.669 -7.874 1.00 0.00 O ATOM 868 CB LEU A 60 -3.433 3.297 -4.608 1.00 0.00 C ATOM 869 CG LEU A 60 -3.552 4.298 -3.457 1.00 0.00 C ATOM 870 CD1 LEU A 60 -2.965 3.723 -2.167 1.00 0.00 C ATOM 871 CD2 LEU A 60 -2.915 5.639 -3.828 1.00 0.00 C ATOM 0 H LEU A 60 -5.850 3.088 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.349 4.390 -6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.473 2.290 -4.193 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.451 3.415 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.610 4.484 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.062 4.455 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.502 2.814 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.911 3.490 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.013 6.332 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.859 5.490 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.418 6.051 -4.703 1.00 0.00 H new ATOM 882 N TYR A 61 -4.839 1.177 -6.549 1.00 0.00 N ATOM 883 CA TYR A 61 -4.761 0.096 -7.516 1.00 0.00 C ATOM 884 C TYR A 61 -5.655 0.376 -8.725 1.00 0.00 C ATOM 885 O TYR A 61 -5.293 0.058 -9.857 1.00 0.00 O ATOM 886 CB TYR A 61 -5.274 -1.152 -6.795 1.00 0.00 C ATOM 887 CG TYR A 61 -5.177 -2.434 -7.623 1.00 0.00 C ATOM 888 CD1 TYR A 61 -4.035 -3.207 -7.568 1.00 0.00 C ATOM 889 CD2 TYR A 61 -6.231 -2.818 -8.427 1.00 0.00 C ATOM 890 CE1 TYR A 61 -3.943 -4.414 -8.348 1.00 0.00 C ATOM 891 CE2 TYR A 61 -6.140 -4.025 -9.208 1.00 0.00 C ATOM 892 CZ TYR A 61 -5.000 -4.763 -9.129 1.00 0.00 C ATOM 893 OH TYR A 61 -4.913 -5.903 -9.866 1.00 0.00 O ATOM 0 H TYR A 61 -5.303 0.934 -5.674 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.740 -0.021 -7.879 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.709 -1.284 -5.873 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.314 -0.993 -6.511 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.210 -2.906 -6.940 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.125 -2.213 -8.471 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.055 -5.028 -8.313 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.957 -4.337 -9.841 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.741 -6.028 -10.375 1.00 0.00 H new ATOM 902 N ARG A 62 -6.807 0.967 -8.445 1.00 0.00 N ATOM 903 CA ARG A 62 -7.756 1.293 -9.496 1.00 0.00 C ATOM 904 C ARG A 62 -7.180 2.375 -10.414 1.00 0.00 C ATOM 905 O ARG A 62 -7.141 2.204 -11.631 1.00 0.00 O ATOM 906 CB ARG A 62 -9.080 1.785 -8.909 1.00 0.00 C ATOM 907 CG ARG A 62 -10.036 0.617 -8.660 1.00 0.00 C ATOM 908 CD ARG A 62 -11.379 0.850 -9.356 1.00 0.00 C ATOM 909 NE ARG A 62 -11.227 0.681 -10.819 1.00 0.00 N ATOM 910 CZ ARG A 62 -12.254 0.598 -11.676 1.00 0.00 C ATOM 911 NH1 ARG A 62 -13.513 0.668 -11.222 1.00 0.00 N ATOM 912 NH2 ARG A 62 -12.022 0.446 -12.986 1.00 0.00 N ATOM 0 H ARG A 62 -7.105 1.229 -7.505 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.941 0.385 -10.070 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.894 2.313 -7.974 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.542 2.499 -9.591 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.589 -0.308 -9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.194 0.494 -7.589 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.122 0.148 -8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.744 1.853 -9.133 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.282 0.624 -11.198 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.690 0.784 -10.224 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.295 0.605 -11.874 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.064 0.393 -13.331 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.804 0.383 -13.638 1.00 0.00 H new ATOM 923 N ARG A 63 -6.749 3.463 -9.795 1.00 0.00 N ATOM 924 CA ARG A 63 -6.177 4.572 -10.541 1.00 0.00 C ATOM 925 C ARG A 63 -5.199 4.053 -11.595 1.00 0.00 C ATOM 926 O ARG A 63 -5.207 4.514 -12.735 1.00 0.00 O ATOM 927 CB ARG A 63 -5.448 5.543 -9.610 1.00 0.00 C ATOM 928 CG ARG A 63 -6.414 6.581 -9.034 1.00 0.00 C ATOM 929 CD ARG A 63 -5.711 7.473 -8.009 1.00 0.00 C ATOM 930 NE ARG A 63 -6.257 8.847 -8.077 1.00 0.00 N ATOM 931 CZ ARG A 63 -6.131 9.655 -9.138 1.00 0.00 C ATOM 932 NH1 ARG A 63 -5.477 9.231 -10.228 1.00 0.00 N ATOM 933 NH2 ARG A 63 -6.659 10.886 -9.110 1.00 0.00 N ATOM 0 H ARG A 63 -6.784 3.601 -8.785 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.995 5.101 -11.030 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.977 4.989 -8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.651 6.047 -10.156 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.817 7.194 -9.840 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.258 6.076 -8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.848 7.067 -7.007 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.638 7.489 -8.203 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.761 9.201 -7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.076 8.294 -10.249 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.381 9.846 -11.036 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.157 11.208 -8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.563 11.501 -9.918 1.00 0.00 H new ATOM 944 N ARG A 64 -4.377 3.102 -11.177 1.00 0.00 N ATOM 945 CA ARG A 64 -3.393 2.516 -12.071 1.00 0.00 C ATOM 946 C ARG A 64 -4.074 1.981 -13.332 1.00 0.00 C ATOM 947 O ARG A 64 -3.501 2.030 -14.420 1.00 0.00 O ATOM 948 CB ARG A 64 -2.637 1.374 -11.386 1.00 0.00 C ATOM 949 CG ARG A 64 -1.570 1.919 -10.433 1.00 0.00 C ATOM 950 CD ARG A 64 -0.254 1.156 -10.591 1.00 0.00 C ATOM 951 NE ARG A 64 0.507 1.692 -11.742 1.00 0.00 N ATOM 952 CZ ARG A 64 1.601 1.114 -12.256 1.00 0.00 C ATOM 953 NH1 ARG A 64 2.069 -0.024 -11.724 1.00 0.00 N ATOM 954 NH2 ARG A 64 2.227 1.672 -13.301 1.00 0.00 N ATOM 0 H ARG A 64 -4.372 2.722 -10.230 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.683 3.298 -12.340 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.338 0.748 -10.834 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.168 0.740 -12.139 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.407 2.978 -10.632 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.920 1.838 -9.404 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.338 1.244 -9.680 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.455 0.095 -10.740 1.00 0.00 H new ATOM 0 HE ARG A 64 0.177 2.557 -12.171 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.592 -0.449 -10.929 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.902 -0.465 -12.115 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.871 2.538 -13.706 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.060 1.231 -13.691 1.00 0.00 H new ATOM 965 N PHE A 65 -5.288 1.485 -13.146 1.00 0.00 N ATOM 966 CA PHE A 65 -6.054 0.943 -14.256 1.00 0.00 C ATOM 967 C PHE A 65 -5.147 0.192 -15.232 1.00 0.00 C ATOM 968 O PHE A 65 -5.568 -0.784 -15.852 1.00 0.00 O ATOM 969 CB PHE A 65 -6.692 2.129 -14.980 1.00 0.00 C ATOM 970 CG PHE A 65 -8.216 2.188 -14.855 1.00 0.00 C ATOM 971 CD1 PHE A 65 -8.996 1.449 -15.690 1.00 0.00 C ATOM 972 CD2 PHE A 65 -8.791 2.978 -13.909 1.00 0.00 C ATOM 973 CE1 PHE A 65 -10.410 1.504 -15.573 1.00 0.00 C ATOM 974 CE2 PHE A 65 -10.205 3.033 -13.793 1.00 0.00 C ATOM 975 CZ PHE A 65 -10.984 2.295 -14.627 1.00 0.00 C ATOM 0 H PHE A 65 -5.761 1.447 -12.243 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.803 0.243 -13.885 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.269 3.053 -14.585 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.426 2.083 -16.036 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.540 0.821 -16.441 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.172 3.564 -13.246 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.030 0.918 -16.235 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.661 3.661 -13.042 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.060 2.337 -14.539 1.00 0.00 H new