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 49 CYS SG : rot 13:sc= -1.78! USER MOD Set 1.2: A 54 GLN : amide:sc= -3.02 K(o=-4.8,f=-7.7!) USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 56 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= -0.0579 X(o=-0.058,f=-0.31) USER MOD Single : A 10 MET CE :methyl -154:sc= -2.42! (180deg=-3.39!) USER MOD Single : A 12 MET CE :methyl -145:sc= -0.304 (180deg=-1.6!) 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= -0.424 K(o=-0.42,f=-2.8!) USER MOD Single : A 29 ASN : amide:sc= -0.166 K(o=-0.17,f=-3.5) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 150:sc= -0.066 (180deg=-0.428) USER MOD Single : A 35 HIS : no HD1:sc= -0.0235 X(o=-0.024,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= 0.238 (180deg=0.132) USER MOD Single : A 43 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-1.9) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ALA A 5 -3.887 -11.698 1.349 1.00 0.00 N ATOM 48 CA ALA A 5 -2.988 -12.126 0.290 1.00 0.00 C ATOM 49 C ALA A 5 -3.240 -11.280 -0.960 1.00 0.00 C ATOM 50 O ALA A 5 -2.312 -10.989 -1.713 1.00 0.00 O ATOM 51 CB ALA A 5 -3.181 -13.622 0.031 1.00 0.00 C ATOM 0 HA ALA A 5 -1.949 -11.977 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.507 -13.944 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.962 -14.180 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.212 -13.809 -0.270 1.00 0.00 H new ATOM 57 N GLU A 6 -4.499 -10.910 -1.141 1.00 0.00 N ATOM 58 CA GLU A 6 -4.884 -10.103 -2.287 1.00 0.00 C ATOM 59 C GLU A 6 -4.391 -8.665 -2.112 1.00 0.00 C ATOM 60 O GLU A 6 -3.882 -8.061 -3.056 1.00 0.00 O ATOM 61 CB GLU A 6 -6.399 -10.142 -2.500 1.00 0.00 C ATOM 62 CG GLU A 6 -6.862 -8.965 -3.362 1.00 0.00 C ATOM 63 CD GLU A 6 -8.008 -9.380 -4.285 1.00 0.00 C ATOM 64 OE1 GLU A 6 -7.753 -10.236 -5.160 1.00 0.00 O ATOM 65 OE2 GLU A 6 -9.116 -8.831 -4.096 1.00 0.00 O ATOM 0 H GLU A 6 -5.266 -11.154 -0.514 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.414 -10.522 -3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.678 -11.080 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.906 -10.113 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.185 -8.145 -2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.027 -8.594 -3.957 1.00 0.00 H new ATOM 70 N LEU A 7 -4.561 -8.158 -0.900 1.00 0.00 N ATOM 71 CA LEU A 7 -4.139 -6.802 -0.591 1.00 0.00 C ATOM 72 C LEU A 7 -2.633 -6.673 -0.829 1.00 0.00 C ATOM 73 O LEU A 7 -2.166 -5.657 -1.341 1.00 0.00 O ATOM 74 CB LEU A 7 -4.573 -6.416 0.825 1.00 0.00 C ATOM 75 CG LEU A 7 -6.055 -6.614 1.149 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.326 -6.384 2.637 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.933 -5.729 0.263 1.00 0.00 C ATOM 0 H LEU A 7 -4.985 -8.661 -0.121 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.629 -6.090 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.985 -6.998 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.323 -5.368 0.987 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.317 -7.649 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.387 -6.531 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.742 -7.091 3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.043 -5.366 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.982 -5.889 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.677 -4.682 0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.767 -5.984 -0.784 1.00 0.00 H new ATOM 88 N LYS A 8 -1.915 -7.719 -0.446 1.00 0.00 N ATOM 89 CA LYS A 8 -0.472 -7.736 -0.611 1.00 0.00 C ATOM 90 C LYS A 8 -0.131 -7.598 -2.097 1.00 0.00 C ATOM 91 O LYS A 8 0.690 -6.763 -2.474 1.00 0.00 O ATOM 92 CB LYS A 8 0.129 -8.980 0.044 1.00 0.00 C ATOM 93 CG LYS A 8 1.283 -8.607 0.977 1.00 0.00 C ATOM 94 CD LYS A 8 1.297 -9.504 2.218 1.00 0.00 C ATOM 95 CE LYS A 8 0.068 -9.248 3.093 1.00 0.00 C ATOM 96 NZ LYS A 8 -0.586 -10.525 3.453 1.00 0.00 N ATOM 0 H LYS A 8 -2.306 -8.560 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.021 -6.886 -0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.642 -9.507 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.486 -9.664 -0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.230 -8.701 0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.189 -7.564 1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.320 -10.551 1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.203 -9.319 2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.363 -8.716 3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.637 -8.608 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.418 -10.334 4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.884 -11.018 2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.084 -11.122 3.978 1.00 0.00 H new ATOM 106 N GLN A 9 -0.777 -8.431 -2.898 1.00 0.00 N ATOM 107 CA GLN A 9 -0.554 -8.413 -4.335 1.00 0.00 C ATOM 108 C GLN A 9 -0.946 -7.053 -4.916 1.00 0.00 C ATOM 109 O GLN A 9 -0.253 -6.520 -5.780 1.00 0.00 O ATOM 110 CB GLN A 9 -1.319 -9.545 -5.023 1.00 0.00 C ATOM 111 CG GLN A 9 -0.407 -10.747 -5.279 1.00 0.00 C ATOM 112 CD GLN A 9 0.091 -10.759 -6.724 1.00 0.00 C ATOM 113 OE1 GLN A 9 -0.663 -10.603 -7.670 1.00 0.00 O ATOM 114 NE2 GLN A 9 1.402 -10.953 -6.844 1.00 0.00 N ATOM 0 H GLN A 9 -1.455 -9.123 -2.580 1.00 0.00 H new ATOM 0 HA GLN A 9 0.508 -8.572 -4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.162 -9.849 -4.402 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.731 -9.189 -5.967 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.443 -10.714 -4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.948 -11.670 -5.069 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.978 -11.077 -6.011 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.831 -10.978 -7.769 1.00 0.00 H new ATOM 121 N MET A 10 -2.057 -6.530 -4.416 1.00 0.00 N ATOM 122 CA MET A 10 -2.550 -5.243 -4.876 1.00 0.00 C ATOM 123 C MET A 10 -1.634 -4.109 -4.413 1.00 0.00 C ATOM 124 O MET A 10 -1.287 -3.226 -5.197 1.00 0.00 O ATOM 125 CB MET A 10 -3.962 -5.013 -4.333 1.00 0.00 C ATOM 126 CG MET A 10 -4.907 -6.133 -4.774 1.00 0.00 C ATOM 127 SD MET A 10 -6.208 -5.465 -5.798 1.00 0.00 S ATOM 128 CE MET A 10 -6.885 -4.247 -4.684 1.00 0.00 C ATOM 0 H MET A 10 -2.629 -6.974 -3.698 1.00 0.00 H new ATOM 0 HA MET A 10 -2.567 -5.250 -5.966 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.934 -4.964 -3.244 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.340 -4.053 -4.686 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.352 -6.892 -5.325 1.00 0.00 H new ATOM 0 HG3 MET A 10 -5.336 -6.623 -3.900 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.931 -4.067 -4.934 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.814 -4.612 -3.659 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.324 -3.317 -4.777 1.00 0.00 H new ATOM 136 N VAL A 11 -1.268 -4.168 -3.141 1.00 0.00 N ATOM 137 CA VAL A 11 -0.399 -3.156 -2.564 1.00 0.00 C ATOM 138 C VAL A 11 0.963 -3.204 -3.260 1.00 0.00 C ATOM 139 O VAL A 11 1.567 -2.164 -3.520 1.00 0.00 O ATOM 140 CB VAL A 11 -0.305 -3.350 -1.049 1.00 0.00 C ATOM 141 CG1 VAL A 11 0.938 -2.657 -0.485 1.00 0.00 C ATOM 142 CG2 VAL A 11 -1.573 -2.854 -0.353 1.00 0.00 C ATOM 0 H VAL A 11 -1.557 -4.901 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.811 -2.160 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.212 -4.418 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.982 -2.810 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.831 -3.078 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.888 -1.589 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.480 -3.004 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.711 -1.793 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.433 -3.411 -0.724 1.00 0.00 H new ATOM 152 N MET A 12 1.406 -4.420 -3.541 1.00 0.00 N ATOM 153 CA MET A 12 2.686 -4.617 -4.201 1.00 0.00 C ATOM 154 C MET A 12 2.733 -3.874 -5.538 1.00 0.00 C ATOM 155 O MET A 12 3.773 -3.343 -5.921 1.00 0.00 O ATOM 156 CB MET A 12 2.914 -6.111 -4.438 1.00 0.00 C ATOM 157 CG MET A 12 3.887 -6.687 -3.407 1.00 0.00 C ATOM 158 SD MET A 12 5.551 -6.655 -4.053 1.00 0.00 S ATOM 159 CE MET A 12 5.377 -7.800 -5.412 1.00 0.00 C ATOM 0 H MET A 12 0.902 -5.280 -3.324 1.00 0.00 H new ATOM 0 HA MET A 12 3.471 -4.219 -3.558 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.963 -6.641 -4.382 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.308 -6.268 -5.442 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.835 -6.110 -2.484 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.604 -7.710 -3.159 1.00 0.00 H new ATOM 0 HE1 MET A 12 6.299 -8.369 -5.529 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.553 -8.483 -5.209 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.173 -7.248 -6.329 1.00 0.00 H new ATOM 167 N SER A 13 1.591 -3.862 -6.212 1.00 0.00 N ATOM 168 CA SER A 13 1.489 -3.194 -7.498 1.00 0.00 C ATOM 169 C SER A 13 1.668 -1.685 -7.320 1.00 0.00 C ATOM 170 O SER A 13 2.314 -1.032 -8.138 1.00 0.00 O ATOM 171 CB SER A 13 0.148 -3.494 -8.169 1.00 0.00 C ATOM 172 OG SER A 13 0.291 -4.373 -9.281 1.00 0.00 O ATOM 0 H SER A 13 0.730 -4.304 -5.891 1.00 0.00 H new ATOM 0 HA SER A 13 2.281 -3.573 -8.144 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.530 -3.939 -7.441 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.308 -2.561 -8.501 1.00 0.00 H new ATOM 0 HG SER A 13 -0.588 -4.541 -9.680 1.00 0.00 H new ATOM 177 N LEU A 14 1.086 -1.175 -6.244 1.00 0.00 N ATOM 178 CA LEU A 14 1.172 0.245 -5.948 1.00 0.00 C ATOM 179 C LEU A 14 2.617 0.713 -6.139 1.00 0.00 C ATOM 180 O LEU A 14 3.555 -0.054 -5.926 1.00 0.00 O ATOM 181 CB LEU A 14 0.610 0.538 -4.556 1.00 0.00 C ATOM 182 CG LEU A 14 -0.860 0.174 -4.337 1.00 0.00 C ATOM 183 CD1 LEU A 14 -1.323 0.582 -2.937 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.743 0.778 -5.431 1.00 0.00 C ATOM 0 H LEU A 14 0.553 -1.720 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 14 0.555 0.817 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.210 -0.000 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.735 1.601 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.958 -0.909 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.371 0.312 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.720 0.066 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.208 1.659 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.783 0.504 -5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.646 1.864 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.430 0.397 -6.403 1.00 0.00 H new ATOM 195 N ARG A 15 2.750 1.970 -6.537 1.00 0.00 N ATOM 196 CA ARG A 15 4.063 2.549 -6.758 1.00 0.00 C ATOM 197 C ARG A 15 4.560 3.240 -5.487 1.00 0.00 C ATOM 198 O ARG A 15 3.893 3.201 -4.454 1.00 0.00 O ATOM 199 CB ARG A 15 4.032 3.565 -7.903 1.00 0.00 C ATOM 200 CG ARG A 15 4.270 2.879 -9.250 1.00 0.00 C ATOM 201 CD ARG A 15 3.884 3.800 -10.409 1.00 0.00 C ATOM 202 NE ARG A 15 5.040 4.639 -10.796 1.00 0.00 N ATOM 203 CZ ARG A 15 5.360 5.797 -10.202 1.00 0.00 C ATOM 204 NH1 ARG A 15 4.612 6.261 -9.192 1.00 0.00 N ATOM 205 NH2 ARG A 15 6.427 6.492 -10.619 1.00 0.00 N ATOM 0 H ARG A 15 1.970 2.603 -6.712 1.00 0.00 H new ATOM 0 HA ARG A 15 4.741 1.738 -7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.069 4.075 -7.916 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.794 4.327 -7.739 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.319 2.597 -9.338 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.687 1.959 -9.302 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.554 3.206 -11.261 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.046 4.433 -10.117 1.00 0.00 H new ATOM 0 HE ARG A 15 5.630 4.316 -11.563 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.799 5.733 -8.875 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.856 7.142 -8.740 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.996 6.140 -11.389 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.670 7.373 -10.167 1.00 0.00 H new ATOM 216 N VAL A 16 5.727 3.857 -5.604 1.00 0.00 N ATOM 217 CA VAL A 16 6.321 4.556 -4.476 1.00 0.00 C ATOM 218 C VAL A 16 5.370 5.660 -4.008 1.00 0.00 C ATOM 219 O VAL A 16 5.116 5.801 -2.813 1.00 0.00 O ATOM 220 CB VAL A 16 7.706 5.081 -4.856 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.303 5.921 -3.726 1.00 0.00 C ATOM 222 CG2 VAL A 16 8.642 3.932 -5.238 1.00 0.00 C ATOM 0 H VAL A 16 6.277 3.888 -6.462 1.00 0.00 H new ATOM 0 HA VAL A 16 6.466 3.875 -3.638 1.00 0.00 H new ATOM 0 HB VAL A 16 7.592 5.725 -5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.288 6.282 -4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.652 6.771 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.396 5.310 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.620 4.333 -5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.746 3.251 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.227 3.393 -6.089 1.00 0.00 H new ATOM 232 N SER A 17 4.871 6.416 -4.976 1.00 0.00 N ATOM 233 CA SER A 17 3.956 7.504 -4.678 1.00 0.00 C ATOM 234 C SER A 17 2.730 6.968 -3.935 1.00 0.00 C ATOM 235 O SER A 17 2.252 7.590 -2.988 1.00 0.00 O ATOM 236 CB SER A 17 3.526 8.228 -5.957 1.00 0.00 C ATOM 237 OG SER A 17 3.841 9.617 -5.913 1.00 0.00 O ATOM 0 H SER A 17 5.083 6.296 -5.966 1.00 0.00 H new ATOM 0 HA SER A 17 4.474 8.222 -4.042 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.018 7.771 -6.816 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.453 8.104 -6.101 1.00 0.00 H new ATOM 0 HG SER A 17 3.553 10.044 -6.747 1.00 0.00 H new ATOM 242 N GLU A 18 2.256 5.818 -4.394 1.00 0.00 N ATOM 243 CA GLU A 18 1.096 5.191 -3.785 1.00 0.00 C ATOM 244 C GLU A 18 1.429 4.723 -2.366 1.00 0.00 C ATOM 245 O GLU A 18 0.660 4.958 -1.435 1.00 0.00 O ATOM 246 CB GLU A 18 0.588 4.029 -4.640 1.00 0.00 C ATOM 247 CG GLU A 18 -0.120 4.541 -5.896 1.00 0.00 C ATOM 248 CD GLU A 18 0.881 4.800 -7.023 1.00 0.00 C ATOM 249 OE1 GLU A 18 1.709 5.720 -6.846 1.00 0.00 O ATOM 250 OE2 GLU A 18 0.796 4.073 -8.036 1.00 0.00 O ATOM 0 H GLU A 18 2.655 5.305 -5.180 1.00 0.00 H new ATOM 0 HA GLU A 18 0.298 5.931 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.424 3.390 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.098 3.416 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.861 3.811 -6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.659 5.460 -5.665 1.00 0.00 H new ATOM 255 N LEU A 19 2.575 4.070 -2.246 1.00 0.00 N ATOM 256 CA LEU A 19 3.019 3.568 -0.958 1.00 0.00 C ATOM 257 C LEU A 19 3.237 4.744 -0.004 1.00 0.00 C ATOM 258 O LEU A 19 2.997 4.627 1.197 1.00 0.00 O ATOM 259 CB LEU A 19 4.251 2.676 -1.125 1.00 0.00 C ATOM 260 CG LEU A 19 4.064 1.430 -1.994 1.00 0.00 C ATOM 261 CD1 LEU A 19 5.280 1.202 -2.893 1.00 0.00 C ATOM 262 CD2 LEU A 19 3.747 0.205 -1.136 1.00 0.00 C ATOM 0 H LEU A 19 3.210 3.877 -3.021 1.00 0.00 H new ATOM 0 HA LEU A 19 2.253 2.933 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.054 3.276 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.582 2.359 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 19 3.207 1.595 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.122 0.311 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.418 2.065 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.169 1.068 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.619 -0.666 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.567 0.026 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.829 0.381 -0.576 1.00 0.00 H new ATOM 273 N GLN A 20 3.690 5.851 -0.574 1.00 0.00 N ATOM 274 CA GLN A 20 3.942 7.048 0.210 1.00 0.00 C ATOM 275 C GLN A 20 2.667 7.488 0.932 1.00 0.00 C ATOM 276 O GLN A 20 2.680 7.715 2.142 1.00 0.00 O ATOM 277 CB GLN A 20 4.491 8.173 -0.668 1.00 0.00 C ATOM 278 CG GLN A 20 5.992 7.997 -0.910 1.00 0.00 C ATOM 279 CD GLN A 20 6.708 9.349 -0.923 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.212 10.348 -0.429 1.00 0.00 O ATOM 281 NE2 GLN A 20 7.899 9.324 -1.515 1.00 0.00 N ATOM 0 H GLN A 20 3.889 5.944 -1.570 1.00 0.00 H new ATOM 0 HA GLN A 20 4.698 6.815 0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.964 8.185 -1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.306 9.135 -0.190 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.418 7.364 -0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.153 7.487 -1.860 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.255 8.453 -1.908 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.456 10.176 -1.576 1.00 0.00 H new ATOM 288 N VAL A 21 1.596 7.597 0.160 1.00 0.00 N ATOM 289 CA VAL A 21 0.315 8.006 0.711 1.00 0.00 C ATOM 290 C VAL A 21 -0.201 6.918 1.655 1.00 0.00 C ATOM 291 O VAL A 21 -0.820 7.217 2.675 1.00 0.00 O ATOM 292 CB VAL A 21 -0.662 8.330 -0.421 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.723 7.235 -0.558 1.00 0.00 C ATOM 294 CG2 VAL A 21 -1.311 9.699 -0.212 1.00 0.00 C ATOM 0 H VAL A 21 1.589 7.409 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 21 0.425 8.918 1.298 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.096 8.368 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.405 7.489 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.238 6.284 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.282 7.152 0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.001 9.904 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.857 9.703 0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.539 10.468 -0.187 1.00 0.00 H new ATOM 304 N LEU A 22 0.072 5.677 1.279 1.00 0.00 N ATOM 305 CA LEU A 22 -0.357 4.542 2.079 1.00 0.00 C ATOM 306 C LEU A 22 0.224 4.668 3.489 1.00 0.00 C ATOM 307 O LEU A 22 -0.463 4.398 4.474 1.00 0.00 O ATOM 308 CB LEU A 22 0.000 3.228 1.381 1.00 0.00 C ATOM 309 CG LEU A 22 -1.175 2.316 1.025 1.00 0.00 C ATOM 310 CD1 LEU A 22 -1.580 1.451 2.220 1.00 0.00 C ATOM 311 CD2 LEU A 22 -2.352 3.127 0.478 1.00 0.00 C ATOM 0 H LEU A 22 0.585 5.433 0.432 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.442 4.537 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.543 3.462 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.683 2.673 2.023 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.855 1.639 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.417 0.812 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.736 0.831 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.875 2.093 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.174 2.455 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.681 3.843 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.040 3.661 -0.419 1.00 0.00 H new ATOM 322 N LEU A 23 1.483 5.076 3.540 1.00 0.00 N ATOM 323 CA LEU A 23 2.164 5.241 4.813 1.00 0.00 C ATOM 324 C LEU A 23 1.657 6.512 5.498 1.00 0.00 C ATOM 325 O LEU A 23 1.491 6.541 6.715 1.00 0.00 O ATOM 326 CB LEU A 23 3.682 5.212 4.616 1.00 0.00 C ATOM 327 CG LEU A 23 4.246 3.962 3.938 1.00 0.00 C ATOM 328 CD1 LEU A 23 5.646 3.639 4.462 1.00 0.00 C ATOM 329 CD2 LEU A 23 3.290 2.777 4.090 1.00 0.00 C ATOM 0 H LEU A 23 2.049 5.297 2.721 1.00 0.00 H new ATOM 0 HA LEU A 23 1.935 4.408 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.969 6.082 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.157 5.318 5.591 1.00 0.00 H new ATOM 0 HG LEU A 23 4.340 4.165 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.024 2.746 3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.313 4.477 4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.601 3.463 5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.715 1.901 3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.141 2.563 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.332 3.021 3.631 1.00 0.00 H new ATOM 340 N GLY A 24 1.426 7.532 4.684 1.00 0.00 N ATOM 341 CA GLY A 24 0.941 8.803 5.196 1.00 0.00 C ATOM 342 C GLY A 24 -0.443 8.647 5.827 1.00 0.00 C ATOM 343 O GLY A 24 -0.734 9.260 6.853 1.00 0.00 O ATOM 0 H GLY A 24 1.566 7.504 3.674 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.640 9.192 5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.896 9.532 4.387 1.00 0.00 H new ATOM 347 N TYR A 25 -1.261 7.824 5.188 1.00 0.00 N ATOM 348 CA TYR A 25 -2.608 7.580 5.674 1.00 0.00 C ATOM 349 C TYR A 25 -2.584 6.780 6.979 1.00 0.00 C ATOM 350 O TYR A 25 -3.387 7.027 7.878 1.00 0.00 O ATOM 351 CB TYR A 25 -3.302 6.748 4.594 1.00 0.00 C ATOM 352 CG TYR A 25 -4.767 7.129 4.360 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.124 8.457 4.242 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.729 6.144 4.268 1.00 0.00 C ATOM 355 CE1 TYR A 25 -6.501 8.815 4.022 1.00 0.00 C ATOM 356 CE2 TYR A 25 -7.106 6.502 4.048 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.424 7.820 3.937 1.00 0.00 C ATOM 358 OH TYR A 25 -8.725 8.158 3.729 1.00 0.00 O ATOM 0 H TYR A 25 -1.017 7.317 4.337 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.121 8.521 5.871 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.755 6.857 3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.251 5.695 4.872 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.371 9.227 4.315 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.449 5.105 4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.794 9.850 3.927 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.869 5.741 3.973 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.272 7.346 3.689 1.00 0.00 H new ATOM 367 N ALA A 26 -1.655 5.838 7.041 1.00 0.00 N ATOM 368 CA ALA A 26 -1.515 5.001 8.221 1.00 0.00 C ATOM 369 C ALA A 26 -0.590 5.691 9.224 1.00 0.00 C ATOM 370 O ALA A 26 -0.385 5.192 10.329 1.00 0.00 O ATOM 371 CB ALA A 26 -1.002 3.619 7.808 1.00 0.00 C ATOM 0 H ALA A 26 -0.991 5.635 6.293 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.480 4.859 8.708 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.897 2.991 8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.710 3.159 7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.033 3.722 7.319 1.00 0.00 H new ATOM 377 N GLY A 27 -0.057 6.830 8.804 1.00 0.00 N ATOM 378 CA GLY A 27 0.841 7.593 9.652 1.00 0.00 C ATOM 379 C GLY A 27 2.293 7.159 9.443 1.00 0.00 C ATOM 380 O GLY A 27 3.210 7.972 9.560 1.00 0.00 O ATOM 0 H GLY A 27 -0.231 7.242 7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.740 8.656 9.432 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.564 7.457 10.697 1.00 0.00 H new ATOM 384 N ARG A 28 2.458 5.881 9.140 1.00 0.00 N ATOM 385 CA ARG A 28 3.782 5.329 8.915 1.00 0.00 C ATOM 386 C ARG A 28 4.652 6.331 8.152 1.00 0.00 C ATOM 387 O ARG A 28 4.165 7.032 7.267 1.00 0.00 O ATOM 388 CB ARG A 28 3.708 4.023 8.123 1.00 0.00 C ATOM 389 CG ARG A 28 3.334 2.851 9.031 1.00 0.00 C ATOM 390 CD ARG A 28 4.534 2.400 9.867 1.00 0.00 C ATOM 391 NE ARG A 28 4.881 0.999 9.542 1.00 0.00 N ATOM 392 CZ ARG A 28 4.306 -0.069 10.112 1.00 0.00 C ATOM 393 NH1 ARG A 28 3.352 0.097 11.038 1.00 0.00 N ATOM 394 NH2 ARG A 28 4.684 -1.304 9.754 1.00 0.00 N ATOM 0 H ARG A 28 1.695 5.211 9.045 1.00 0.00 H new ATOM 0 HA ARG A 28 4.225 5.125 9.890 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.972 4.119 7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.669 3.827 7.648 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.517 3.143 9.690 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.974 2.019 8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.388 3.049 9.672 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.302 2.489 10.928 1.00 0.00 H new ATOM 0 HE ARG A 28 5.603 0.836 8.840 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.063 1.037 11.310 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.915 -0.716 11.471 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.409 -1.431 9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.247 -2.117 10.188 1.00 0.00 H new ATOM 405 N ASN A 29 5.923 6.367 8.524 1.00 0.00 N ATOM 406 CA ASN A 29 6.864 7.272 7.886 1.00 0.00 C ATOM 407 C ASN A 29 7.199 6.749 6.488 1.00 0.00 C ATOM 408 O ASN A 29 7.471 5.562 6.312 1.00 0.00 O ATOM 409 CB ASN A 29 8.168 7.360 8.682 1.00 0.00 C ATOM 410 CG ASN A 29 9.064 8.478 8.144 1.00 0.00 C ATOM 411 OD1 ASN A 29 8.675 9.269 7.302 1.00 0.00 O ATOM 412 ND2 ASN A 29 10.283 8.497 8.674 1.00 0.00 N ATOM 0 H ASN A 29 6.323 5.784 9.259 1.00 0.00 H new ATOM 0 HA ASN A 29 6.403 8.259 7.837 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.945 7.542 9.733 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.696 6.408 8.628 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.956 9.204 8.379 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.545 7.805 9.376 1.00 0.00 H new ATOM 418 N LYS A 30 7.169 7.662 5.528 1.00 0.00 N ATOM 419 CA LYS A 30 7.465 7.308 4.150 1.00 0.00 C ATOM 420 C LYS A 30 8.811 7.916 3.750 1.00 0.00 C ATOM 421 O LYS A 30 9.682 8.115 4.596 1.00 0.00 O ATOM 422 CB LYS A 30 6.311 7.714 3.232 1.00 0.00 C ATOM 423 CG LYS A 30 6.386 9.201 2.882 1.00 0.00 C ATOM 424 CD LYS A 30 5.012 9.863 3.007 1.00 0.00 C ATOM 425 CE LYS A 30 5.098 11.157 3.818 1.00 0.00 C ATOM 426 NZ LYS A 30 3.979 12.061 3.473 1.00 0.00 N ATOM 0 H LYS A 30 6.944 8.646 5.677 1.00 0.00 H new ATOM 0 HA LYS A 30 7.559 6.227 4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.342 7.120 2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.360 7.499 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.095 9.699 3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.760 9.321 1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.616 10.078 2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.315 9.175 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.073 10.928 4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.048 11.654 3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.053 12.934 4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.021 12.294 2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.075 11.591 3.683 1.00 0.00 H new ATOM 436 N HIS A 31 8.941 8.192 2.461 1.00 0.00 N ATOM 437 CA HIS A 31 10.166 8.772 1.940 1.00 0.00 C ATOM 438 C HIS A 31 11.319 7.781 2.114 1.00 0.00 C ATOM 439 O HIS A 31 11.809 7.583 3.226 1.00 0.00 O ATOM 440 CB HIS A 31 10.445 10.127 2.591 1.00 0.00 C ATOM 441 CG HIS A 31 10.991 11.166 1.639 1.00 0.00 C ATOM 442 ND1 HIS A 31 12.341 11.297 1.366 1.00 0.00 N ATOM 443 CD2 HIS A 31 10.353 12.119 0.901 1.00 0.00 C ATOM 444 CE1 HIS A 31 12.498 12.288 0.500 1.00 0.00 C ATOM 445 NE2 HIS A 31 11.266 12.797 0.214 1.00 0.00 N ATOM 0 H HIS A 31 8.217 8.024 1.762 1.00 0.00 H new ATOM 0 HA HIS A 31 10.056 8.963 0.873 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.522 10.503 3.033 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.155 9.987 3.406 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.287 12.293 0.879 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.437 12.632 0.092 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.076 13.571 -0.423 1.00 0.00 H new ATOM 452 N GLY A 32 11.719 7.186 1.001 1.00 0.00 N ATOM 453 CA GLY A 32 12.806 6.220 1.018 1.00 0.00 C ATOM 454 C GLY A 32 12.737 5.296 -0.200 1.00 0.00 C ATOM 455 O GLY A 32 12.129 5.642 -1.212 1.00 0.00 O ATOM 0 H GLY A 32 11.311 7.353 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.762 6.743 1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.757 5.628 1.932 1.00 0.00 H new ATOM 459 N ARG A 33 13.369 4.140 -0.063 1.00 0.00 N ATOM 460 CA ARG A 33 13.388 3.164 -1.139 1.00 0.00 C ATOM 461 C ARG A 33 12.027 2.475 -1.254 1.00 0.00 C ATOM 462 O ARG A 33 11.297 2.365 -0.269 1.00 0.00 O ATOM 463 CB ARG A 33 14.468 2.107 -0.905 1.00 0.00 C ATOM 464 CG ARG A 33 15.566 2.201 -1.967 1.00 0.00 C ATOM 465 CD ARG A 33 16.560 1.046 -1.833 1.00 0.00 C ATOM 466 NE ARG A 33 17.201 0.776 -3.139 1.00 0.00 N ATOM 467 CZ ARG A 33 18.177 1.529 -3.667 1.00 0.00 C ATOM 468 NH1 ARG A 33 18.626 2.603 -3.004 1.00 0.00 N ATOM 469 NH2 ARG A 33 18.701 1.209 -4.857 1.00 0.00 N ATOM 0 H ARG A 33 13.872 3.857 0.778 1.00 0.00 H new ATOM 0 HA ARG A 33 13.610 3.695 -2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.903 2.239 0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.020 1.113 -0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.118 2.186 -2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.092 3.151 -1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.319 1.293 -1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.046 0.152 -1.479 1.00 0.00 H new ATOM 0 HE ARG A 33 16.881 -0.033 -3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.226 2.847 -2.098 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.368 3.176 -3.405 1.00 0.00 H new ATOM 0 HH21 ARG A 33 18.358 0.392 -5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 33 19.443 1.782 -5.258 1.00 0.00 H new ATOM 480 N LYS A 34 11.725 2.030 -2.465 1.00 0.00 N ATOM 481 CA LYS A 34 10.464 1.355 -2.722 1.00 0.00 C ATOM 482 C LYS A 34 10.420 0.048 -1.927 1.00 0.00 C ATOM 483 O LYS A 34 9.383 -0.309 -1.370 1.00 0.00 O ATOM 484 CB LYS A 34 10.252 1.168 -4.225 1.00 0.00 C ATOM 485 CG LYS A 34 8.861 0.602 -4.517 1.00 0.00 C ATOM 486 CD LYS A 34 8.935 -0.537 -5.535 1.00 0.00 C ATOM 487 CE LYS A 34 9.873 -1.644 -5.052 1.00 0.00 C ATOM 488 NZ LYS A 34 11.062 -1.737 -5.931 1.00 0.00 N ATOM 0 H LYS A 34 12.332 2.124 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 34 9.628 1.966 -2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.374 2.124 -4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.013 0.496 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.411 0.240 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.215 1.393 -4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.939 -0.946 -5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.285 -0.151 -6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.186 -1.442 -4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.345 -2.598 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.877 -2.072 -5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.870 -2.405 -6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.275 -0.799 -6.328 1.00 0.00 H new ATOM 498 N HIS A 35 11.558 -0.631 -1.900 1.00 0.00 N ATOM 499 CA HIS A 35 11.661 -1.890 -1.183 1.00 0.00 C ATOM 500 C HIS A 35 11.342 -1.666 0.297 1.00 0.00 C ATOM 501 O HIS A 35 10.617 -2.451 0.905 1.00 0.00 O ATOM 502 CB HIS A 35 13.034 -2.529 -1.404 1.00 0.00 C ATOM 503 CG HIS A 35 12.991 -4.027 -1.589 1.00 0.00 C ATOM 504 ND1 HIS A 35 13.804 -4.694 -2.487 1.00 0.00 N ATOM 505 CD2 HIS A 35 12.226 -4.978 -0.980 1.00 0.00 C ATOM 506 CE1 HIS A 35 13.531 -5.990 -2.416 1.00 0.00 C ATOM 507 NE2 HIS A 35 12.553 -6.163 -1.482 1.00 0.00 N ATOM 0 H HIS A 35 12.416 -0.333 -2.363 1.00 0.00 H new ATOM 0 HA HIS A 35 10.928 -2.596 -1.573 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.496 -2.078 -2.282 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.673 -2.296 -0.552 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.481 -4.798 -0.219 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.001 -6.771 -2.996 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.140 -7.056 -1.213 1.00 0.00 H new ATOM 514 N GLU A 36 11.900 -0.590 0.833 1.00 0.00 N ATOM 515 CA GLU A 36 11.684 -0.253 2.229 1.00 0.00 C ATOM 516 C GLU A 36 10.214 0.097 2.470 1.00 0.00 C ATOM 517 O GLU A 36 9.604 -0.390 3.421 1.00 0.00 O ATOM 518 CB GLU A 36 12.599 0.894 2.664 1.00 0.00 C ATOM 519 CG GLU A 36 14.040 0.410 2.841 1.00 0.00 C ATOM 520 CD GLU A 36 14.396 0.278 4.323 1.00 0.00 C ATOM 521 OE1 GLU A 36 13.468 -0.024 5.105 1.00 0.00 O ATOM 522 OE2 GLU A 36 15.588 0.481 4.640 1.00 0.00 O ATOM 0 H GLU A 36 12.501 0.059 0.325 1.00 0.00 H new ATOM 0 HA GLU A 36 11.934 -1.124 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.568 1.690 1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.236 1.318 3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.168 -0.553 2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.724 1.109 2.360 1.00 0.00 H new ATOM 527 N LEU A 37 9.687 0.938 1.592 1.00 0.00 N ATOM 528 CA LEU A 37 8.301 1.358 1.697 1.00 0.00 C ATOM 529 C LEU A 37 7.390 0.140 1.544 1.00 0.00 C ATOM 530 O LEU A 37 6.348 0.052 2.192 1.00 0.00 O ATOM 531 CB LEU A 37 8.003 2.479 0.698 1.00 0.00 C ATOM 532 CG LEU A 37 8.711 3.811 0.953 1.00 0.00 C ATOM 533 CD1 LEU A 37 8.873 4.603 -0.345 1.00 0.00 C ATOM 534 CD2 LEU A 37 7.986 4.619 2.032 1.00 0.00 C ATOM 0 H LEU A 37 10.196 1.340 0.804 1.00 0.00 H new ATOM 0 HA LEU A 37 8.105 1.781 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.274 2.131 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.928 2.657 0.692 1.00 0.00 H new ATOM 0 HG LEU A 37 9.713 3.600 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.379 5.545 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.464 4.023 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.891 4.806 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.509 5.561 2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.965 4.822 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.967 4.050 2.961 1.00 0.00 H new ATOM 545 N LEU A 38 7.815 -0.772 0.681 1.00 0.00 N ATOM 546 CA LEU A 38 7.050 -1.983 0.434 1.00 0.00 C ATOM 547 C LEU A 38 6.881 -2.751 1.746 1.00 0.00 C ATOM 548 O LEU A 38 5.769 -3.136 2.105 1.00 0.00 O ATOM 549 CB LEU A 38 7.696 -2.806 -0.682 1.00 0.00 C ATOM 550 CG LEU A 38 6.915 -2.888 -1.995 1.00 0.00 C ATOM 551 CD1 LEU A 38 5.419 -3.075 -1.731 1.00 0.00 C ATOM 552 CD2 LEU A 38 7.192 -1.668 -2.875 1.00 0.00 C ATOM 0 H LEU A 38 8.679 -0.696 0.144 1.00 0.00 H new ATOM 0 HA LEU A 38 6.050 -1.736 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.679 -2.386 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.855 -3.819 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 38 7.259 -3.765 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.886 -3.130 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.261 -3.997 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.043 -2.231 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.625 -1.752 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.893 -0.763 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.256 -1.619 -3.104 1.00 0.00 H new ATOM 563 N THR A 39 8.000 -2.951 2.426 1.00 0.00 N ATOM 564 CA THR A 39 7.991 -3.667 3.691 1.00 0.00 C ATOM 565 C THR A 39 7.097 -2.948 4.703 1.00 0.00 C ATOM 566 O THR A 39 6.421 -3.590 5.506 1.00 0.00 O ATOM 567 CB THR A 39 9.439 -3.819 4.159 1.00 0.00 C ATOM 568 OG1 THR A 39 9.968 -4.845 3.325 1.00 0.00 O ATOM 569 CG2 THR A 39 9.539 -4.398 5.571 1.00 0.00 C ATOM 0 H THR A 39 8.920 -2.630 2.125 1.00 0.00 H new ATOM 0 HA THR A 39 7.565 -4.664 3.579 1.00 0.00 H new ATOM 0 HB THR A 39 9.934 -2.848 4.128 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.906 -5.007 3.560 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.588 -4.485 5.855 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.027 -3.738 6.272 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.074 -5.383 5.594 1.00 0.00 H new ATOM 577 N LYS A 40 7.121 -1.625 4.631 1.00 0.00 N ATOM 578 CA LYS A 40 6.321 -0.812 5.531 1.00 0.00 C ATOM 579 C LYS A 40 4.837 -1.053 5.245 1.00 0.00 C ATOM 580 O LYS A 40 4.033 -1.164 6.170 1.00 0.00 O ATOM 581 CB LYS A 40 6.735 0.657 5.436 1.00 0.00 C ATOM 582 CG LYS A 40 8.104 0.884 6.079 1.00 0.00 C ATOM 583 CD LYS A 40 8.132 2.198 6.863 1.00 0.00 C ATOM 584 CE LYS A 40 9.417 2.978 6.578 1.00 0.00 C ATOM 585 NZ LYS A 40 9.634 4.014 7.614 1.00 0.00 N ATOM 0 H LYS A 40 7.682 -1.096 3.963 1.00 0.00 H new ATOM 0 HA LYS A 40 6.498 -1.102 6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.765 0.963 4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.990 1.281 5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.339 0.054 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.874 0.901 5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.267 2.804 6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.057 1.991 7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.266 2.295 6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.356 3.445 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.641 4.273 7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.065 4.855 7.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.348 3.642 8.542 1.00 0.00 H new ATOM 595 N ALA A 41 4.518 -1.125 3.961 1.00 0.00 N ATOM 596 CA ALA A 41 3.145 -1.350 3.543 1.00 0.00 C ATOM 597 C ALA A 41 2.730 -2.774 3.917 1.00 0.00 C ATOM 598 O ALA A 41 1.612 -2.998 4.379 1.00 0.00 O ATOM 599 CB ALA A 41 3.018 -1.081 2.042 1.00 0.00 C ATOM 0 H ALA A 41 5.187 -1.031 3.197 1.00 0.00 H new ATOM 0 HA ALA A 41 2.470 -0.664 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.988 -1.250 1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.297 -0.048 1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.679 -1.753 1.495 1.00 0.00 H new ATOM 605 N LEU A 42 3.651 -3.702 3.701 1.00 0.00 N ATOM 606 CA LEU A 42 3.395 -5.098 4.009 1.00 0.00 C ATOM 607 C LEU A 42 3.290 -5.270 5.525 1.00 0.00 C ATOM 608 O LEU A 42 2.400 -5.964 6.015 1.00 0.00 O ATOM 609 CB LEU A 42 4.453 -5.993 3.360 1.00 0.00 C ATOM 610 CG LEU A 42 4.476 -6.003 1.830 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.746 -7.411 1.295 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.187 -5.410 1.258 1.00 0.00 C ATOM 0 H LEU A 42 4.577 -3.514 3.316 1.00 0.00 H new ATOM 0 HA LEU A 42 2.441 -5.413 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.434 -5.679 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.299 -7.014 3.708 1.00 0.00 H new ATOM 0 HG LEU A 42 5.297 -5.369 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.757 -7.390 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.711 -7.760 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.962 -8.087 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.230 -5.429 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.334 -5.997 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.078 -4.380 1.599 1.00 0.00 H new ATOM 623 N HIS A 43 4.211 -4.627 6.227 1.00 0.00 N ATOM 624 CA HIS A 43 4.234 -4.700 7.678 1.00 0.00 C ATOM 625 C HIS A 43 2.958 -4.074 8.243 1.00 0.00 C ATOM 626 O HIS A 43 2.495 -4.459 9.316 1.00 0.00 O ATOM 627 CB HIS A 43 5.506 -4.058 8.235 1.00 0.00 C ATOM 628 CG HIS A 43 6.674 -5.009 8.350 1.00 0.00 C ATOM 629 ND1 HIS A 43 7.991 -4.583 8.346 1.00 0.00 N ATOM 630 CD2 HIS A 43 6.709 -6.367 8.473 1.00 0.00 C ATOM 631 CE1 HIS A 43 8.774 -5.645 8.461 1.00 0.00 C ATOM 632 NE2 HIS A 43 7.978 -6.750 8.539 1.00 0.00 N ATOM 0 H HIS A 43 4.948 -4.052 5.818 1.00 0.00 H new ATOM 0 HA HIS A 43 4.256 -5.743 7.993 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.791 -3.224 7.593 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.290 -3.643 9.220 1.00 0.00 H new ATOM 0 HD1 HIS A 43 8.305 -3.616 8.268 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.850 -7.020 8.510 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.854 -5.637 8.488 1.00 0.00 H new ATOM 639 N LEU A 44 2.424 -3.119 7.496 1.00 0.00 N ATOM 640 CA LEU A 44 1.210 -2.435 7.909 1.00 0.00 C ATOM 641 C LEU A 44 0.059 -3.440 7.965 1.00 0.00 C ATOM 642 O LEU A 44 -0.795 -3.362 8.848 1.00 0.00 O ATOM 643 CB LEU A 44 0.936 -1.236 7.000 1.00 0.00 C ATOM 644 CG LEU A 44 1.172 0.144 7.620 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.596 1.249 6.734 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.621 0.206 9.046 1.00 0.00 C ATOM 0 H LEU A 44 2.810 -2.802 6.607 1.00 0.00 H new ATOM 0 HA LEU A 44 1.325 -2.025 8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.564 -1.326 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.100 -1.289 6.664 1.00 0.00 H new ATOM 0 HG LEU A 44 2.247 0.311 7.683 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.777 2.219 7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.077 1.219 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.477 1.098 6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.802 1.197 9.463 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.451 0.009 9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.119 -0.543 9.661 1.00 0.00 H new ATOM 657 N LEU A 45 0.071 -4.361 7.012 1.00 0.00 N ATOM 658 CA LEU A 45 -0.963 -5.380 6.943 1.00 0.00 C ATOM 659 C LEU A 45 -0.872 -6.276 8.179 1.00 0.00 C ATOM 660 O LEU A 45 -1.886 -6.575 8.810 1.00 0.00 O ATOM 661 CB LEU A 45 -0.872 -6.144 5.620 1.00 0.00 C ATOM 662 CG LEU A 45 -1.199 -5.343 4.359 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.303 -5.767 3.193 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.684 -5.451 4.010 1.00 0.00 C ATOM 0 H LEU A 45 0.780 -4.423 6.282 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.952 -4.923 6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.138 -6.542 5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.548 -6.998 5.669 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.992 -4.292 4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.556 -5.182 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.741 -5.595 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.455 -6.826 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.889 -4.872 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.942 -6.496 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.281 -5.062 4.835 1.00 0.00 H new ATOM 675 N LYS A 46 0.350 -6.683 8.489 1.00 0.00 N ATOM 676 CA LYS A 46 0.586 -7.539 9.638 1.00 0.00 C ATOM 677 C LYS A 46 0.455 -6.714 10.919 1.00 0.00 C ATOM 678 O LYS A 46 0.130 -7.252 11.978 1.00 0.00 O ATOM 679 CB LYS A 46 1.931 -8.257 9.504 1.00 0.00 C ATOM 680 CG LYS A 46 1.834 -9.700 10.007 1.00 0.00 C ATOM 681 CD LYS A 46 2.755 -10.622 9.205 1.00 0.00 C ATOM 682 CE LYS A 46 4.223 -10.236 9.400 1.00 0.00 C ATOM 683 NZ LYS A 46 4.924 -11.259 10.208 1.00 0.00 N ATOM 0 H LYS A 46 1.188 -6.435 7.963 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.166 -8.326 9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.248 -8.252 8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.692 -7.721 10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.103 -9.740 11.063 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.804 -10.049 9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.602 -11.655 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.498 -10.567 8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.710 -10.133 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.288 -9.266 9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.919 -10.982 10.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.469 -11.338 11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.878 -12.177 9.722 1.00 0.00 H new ATOM 693 N ALA A 47 0.713 -5.422 10.782 1.00 0.00 N ATOM 694 CA ALA A 47 0.628 -4.517 11.917 1.00 0.00 C ATOM 695 C ALA A 47 -0.812 -4.017 12.057 1.00 0.00 C ATOM 696 O ALA A 47 -1.080 -3.096 12.827 1.00 0.00 O ATOM 697 CB ALA A 47 1.627 -3.373 11.733 1.00 0.00 C ATOM 0 H ALA A 47 0.981 -4.980 9.903 1.00 0.00 H new ATOM 0 HA ALA A 47 0.890 -5.033 12.841 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.564 -2.694 12.584 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.637 -3.779 11.667 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.394 -2.830 10.817 1.00 0.00 H new ATOM 703 N GLY A 48 -1.699 -4.647 11.301 1.00 0.00 N ATOM 704 CA GLY A 48 -3.104 -4.276 11.331 1.00 0.00 C ATOM 705 C GLY A 48 -3.351 -2.993 10.536 1.00 0.00 C ATOM 706 O GLY A 48 -3.099 -1.895 11.029 1.00 0.00 O ATOM 0 H GLY A 48 -1.473 -5.411 10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.706 -5.085 10.918 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.424 -4.135 12.363 1.00 0.00 H new ATOM 710 N CYS A 49 -3.841 -3.175 9.318 1.00 0.00 N ATOM 711 CA CYS A 49 -4.124 -2.044 8.450 1.00 0.00 C ATOM 712 C CYS A 49 -5.629 -1.777 8.486 1.00 0.00 C ATOM 713 O CYS A 49 -6.429 -2.665 8.193 1.00 0.00 O ATOM 714 CB CYS A 49 -3.622 -2.286 7.026 1.00 0.00 C ATOM 715 SG CYS A 49 -4.668 -3.537 6.196 1.00 0.00 S ATOM 0 H CYS A 49 -4.049 -4.087 8.912 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.591 -1.164 8.809 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.640 -1.353 6.462 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.586 -2.624 7.050 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.745 -3.736 6.897 1.00 0.00 H new ATOM 720 N SER A 50 -5.972 -0.549 8.848 1.00 0.00 N ATOM 721 CA SER A 50 -7.367 -0.153 8.925 1.00 0.00 C ATOM 722 C SER A 50 -8.076 -0.472 7.608 1.00 0.00 C ATOM 723 O SER A 50 -7.427 -0.667 6.581 1.00 0.00 O ATOM 724 CB SER A 50 -7.500 1.336 9.254 1.00 0.00 C ATOM 725 OG SER A 50 -7.530 1.572 10.659 1.00 0.00 O ATOM 0 H SER A 50 -5.307 0.185 9.091 1.00 0.00 H new ATOM 0 HA SER A 50 -7.839 -0.718 9.729 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.665 1.881 8.813 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.411 1.727 8.801 1.00 0.00 H new ATOM 0 HG SER A 50 -7.614 2.534 10.827 1.00 0.00 H new ATOM 730 N PRO A 51 -9.434 -0.514 7.681 1.00 0.00 N ATOM 731 CA PRO A 51 -10.238 -0.805 6.506 1.00 0.00 C ATOM 732 C PRO A 51 -10.291 0.401 5.566 1.00 0.00 C ATOM 733 O PRO A 51 -10.489 0.246 4.362 1.00 0.00 O ATOM 734 CB PRO A 51 -11.602 -1.196 7.050 1.00 0.00 C ATOM 735 CG PRO A 51 -11.651 -0.663 8.473 1.00 0.00 C ATOM 736 CD PRO A 51 -10.237 -0.287 8.879 1.00 0.00 C ATOM 0 HA PRO A 51 -9.821 -1.609 5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.401 -0.768 6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.734 -2.278 7.033 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.309 0.204 8.533 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.055 -1.417 9.149 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.181 0.753 9.202 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.888 -0.899 9.711 1.00 0.00 H new ATOM 741 N ALA A 52 -10.111 1.576 6.151 1.00 0.00 N ATOM 742 CA ALA A 52 -10.137 2.807 5.381 1.00 0.00 C ATOM 743 C ALA A 52 -8.953 2.823 4.412 1.00 0.00 C ATOM 744 O ALA A 52 -9.093 3.235 3.262 1.00 0.00 O ATOM 745 CB ALA A 52 -10.127 4.006 6.333 1.00 0.00 C ATOM 0 H ALA A 52 -9.947 1.701 7.150 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.050 2.869 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.146 4.930 5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.003 3.964 6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.224 3.979 6.943 1.00 0.00 H new ATOM 751 N VAL A 53 -7.814 2.369 4.914 1.00 0.00 N ATOM 752 CA VAL A 53 -6.606 2.325 4.107 1.00 0.00 C ATOM 753 C VAL A 53 -6.704 1.168 3.112 1.00 0.00 C ATOM 754 O VAL A 53 -6.125 1.224 2.028 1.00 0.00 O ATOM 755 CB VAL A 53 -5.376 2.234 5.012 1.00 0.00 C ATOM 756 CG1 VAL A 53 -4.092 2.481 4.217 1.00 0.00 C ATOM 757 CG2 VAL A 53 -5.487 3.205 6.188 1.00 0.00 C ATOM 0 H VAL A 53 -7.702 2.029 5.869 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.500 3.242 3.528 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.332 1.223 5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.232 2.411 4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.002 1.733 3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.125 3.475 3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.600 3.120 6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.569 4.225 5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.372 2.964 6.777 1.00 0.00 H new ATOM 767 N GLN A 54 -7.441 0.142 3.516 1.00 0.00 N ATOM 768 CA GLN A 54 -7.622 -1.027 2.674 1.00 0.00 C ATOM 769 C GLN A 54 -8.283 -0.632 1.351 1.00 0.00 C ATOM 770 O GLN A 54 -7.876 -1.095 0.287 1.00 0.00 O ATOM 771 CB GLN A 54 -8.438 -2.101 3.395 1.00 0.00 C ATOM 772 CG GLN A 54 -7.557 -2.911 4.348 1.00 0.00 C ATOM 773 CD GLN A 54 -8.000 -4.376 4.392 1.00 0.00 C ATOM 774 OE1 GLN A 54 -8.659 -4.879 3.497 1.00 0.00 O ATOM 775 NE2 GLN A 54 -7.604 -5.028 5.482 1.00 0.00 N ATOM 0 H GLN A 54 -7.919 0.097 4.416 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.641 -1.448 2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.249 -1.633 3.953 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.897 -2.767 2.664 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.517 -2.851 4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.607 -2.482 5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.054 -4.546 6.193 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.850 -6.010 5.607 1.00 0.00 H new ATOM 782 N MET A 55 -9.291 0.221 1.462 1.00 0.00 N ATOM 783 CA MET A 55 -10.012 0.683 0.288 1.00 0.00 C ATOM 784 C MET A 55 -9.119 1.557 -0.595 1.00 0.00 C ATOM 785 O MET A 55 -9.222 1.518 -1.820 1.00 0.00 O ATOM 786 CB MET A 55 -11.238 1.487 0.727 1.00 0.00 C ATOM 787 CG MET A 55 -12.227 0.604 1.492 1.00 0.00 C ATOM 788 SD MET A 55 -13.273 -0.276 0.345 1.00 0.00 S ATOM 789 CE MET A 55 -14.844 0.487 0.711 1.00 0.00 C ATOM 0 H MET A 55 -9.625 0.604 2.346 1.00 0.00 H new ATOM 0 HA MET A 55 -10.323 -0.187 -0.290 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.925 2.319 1.357 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.728 1.916 -0.147 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.685 -0.104 2.119 1.00 0.00 H new ATOM 0 HG3 MET A 55 -12.836 1.217 2.156 1.00 0.00 H new ATOM 0 HE1 MET A 55 -15.617 0.051 0.078 1.00 0.00 H new ATOM 0 HE2 MET A 55 -15.095 0.319 1.758 1.00 0.00 H new ATOM 0 HE3 MET A 55 -14.781 1.558 0.521 1.00 0.00 H new ATOM 797 N LYS A 56 -8.260 2.324 0.061 1.00 0.00 N ATOM 798 CA LYS A 56 -7.350 3.206 -0.649 1.00 0.00 C ATOM 799 C LYS A 56 -6.424 2.369 -1.534 1.00 0.00 C ATOM 800 O LYS A 56 -5.947 2.844 -2.564 1.00 0.00 O ATOM 801 CB LYS A 56 -6.606 4.113 0.334 1.00 0.00 C ATOM 802 CG LYS A 56 -6.142 5.399 -0.352 1.00 0.00 C ATOM 803 CD LYS A 56 -7.332 6.296 -0.700 1.00 0.00 C ATOM 804 CE LYS A 56 -7.381 7.521 0.215 1.00 0.00 C ATOM 805 NZ LYS A 56 -8.648 8.262 0.021 1.00 0.00 N ATOM 0 H LYS A 56 -8.175 2.353 1.077 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.904 3.875 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.258 4.358 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.745 3.584 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.456 5.937 0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.590 5.153 -1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.259 6.617 -1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.259 5.730 -0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.291 7.209 1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.535 8.174 0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.665 9.091 0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.719 8.576 -0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.451 7.641 0.245 1.00 0.00 H new ATOM 815 N ILE A 57 -6.197 1.137 -1.101 1.00 0.00 N ATOM 816 CA ILE A 57 -5.337 0.230 -1.841 1.00 0.00 C ATOM 817 C ILE A 57 -5.990 -0.103 -3.185 1.00 0.00 C ATOM 818 O ILE A 57 -5.308 -0.189 -4.205 1.00 0.00 O ATOM 819 CB ILE A 57 -5.004 -1.002 -0.997 1.00 0.00 C ATOM 820 CG1 ILE A 57 -4.255 -0.607 0.277 1.00 0.00 C ATOM 821 CG2 ILE A 57 -4.234 -2.038 -1.818 1.00 0.00 C ATOM 822 CD1 ILE A 57 -4.379 -1.696 1.345 1.00 0.00 C ATOM 0 H ILE A 57 -6.594 0.746 -0.247 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.381 0.705 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.940 -1.468 -0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.203 -0.436 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.654 0.332 0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.010 -2.903 -1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.839 -2.351 -2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.303 -1.599 -2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.838 -1.391 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.430 -1.847 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.957 -2.627 0.966 1.00 0.00 H new ATOM 833 N LYS A 58 -7.302 -0.281 -3.140 1.00 0.00 N ATOM 834 CA LYS A 58 -8.054 -0.602 -4.341 1.00 0.00 C ATOM 835 C LYS A 58 -8.085 0.620 -5.261 1.00 0.00 C ATOM 836 O LYS A 58 -7.929 0.492 -6.474 1.00 0.00 O ATOM 837 CB LYS A 58 -9.442 -1.134 -3.978 1.00 0.00 C ATOM 838 CG LYS A 58 -9.348 -2.523 -3.345 1.00 0.00 C ATOM 839 CD LYS A 58 -9.980 -2.534 -1.951 1.00 0.00 C ATOM 840 CE LYS A 58 -10.764 -3.827 -1.715 1.00 0.00 C ATOM 841 NZ LYS A 58 -12.167 -3.523 -1.352 1.00 0.00 N ATOM 0 H LYS A 58 -7.863 -0.209 -2.291 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.565 -1.404 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.929 -0.447 -3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.063 -1.179 -4.872 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.850 -3.251 -3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.303 -2.826 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.202 -2.433 -1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.644 -1.677 -1.842 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.740 -4.443 -2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.293 -4.405 -0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.685 -4.411 -1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.185 -2.953 -0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.618 -2.991 -2.123 1.00 0.00 H new ATOM 851 N GLU A 59 -8.286 1.777 -4.648 1.00 0.00 N ATOM 852 CA GLU A 59 -8.339 3.022 -5.397 1.00 0.00 C ATOM 853 C GLU A 59 -6.986 3.305 -6.051 1.00 0.00 C ATOM 854 O GLU A 59 -6.920 3.626 -7.236 1.00 0.00 O ATOM 855 CB GLU A 59 -8.771 4.183 -4.499 1.00 0.00 C ATOM 856 CG GLU A 59 -10.036 3.831 -3.716 1.00 0.00 C ATOM 857 CD GLU A 59 -11.176 4.796 -4.052 1.00 0.00 C ATOM 858 OE1 GLU A 59 -11.672 4.711 -5.196 1.00 0.00 O ATOM 859 OE2 GLU A 59 -11.523 5.597 -3.158 1.00 0.00 O ATOM 0 H GLU A 59 -8.414 1.879 -3.641 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.085 2.920 -6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.967 4.429 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.951 5.070 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.339 2.810 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.828 3.867 -2.647 1.00 0.00 H new ATOM 864 N LEU A 60 -5.939 3.177 -5.249 1.00 0.00 N ATOM 865 CA LEU A 60 -4.591 3.417 -5.735 1.00 0.00 C ATOM 866 C LEU A 60 -4.242 2.371 -6.795 1.00 0.00 C ATOM 867 O LEU A 60 -3.663 2.698 -7.830 1.00 0.00 O ATOM 868 CB LEU A 60 -3.602 3.463 -4.568 1.00 0.00 C ATOM 869 CG LEU A 60 -3.811 4.593 -3.557 1.00 0.00 C ATOM 870 CD1 LEU A 60 -3.135 4.265 -2.223 1.00 0.00 C ATOM 871 CD2 LEU A 60 -3.339 5.932 -4.125 1.00 0.00 C ATOM 0 H LEU A 60 -5.997 2.910 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.527 4.393 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.653 2.513 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.594 3.547 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.880 4.686 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.298 5.083 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.560 3.348 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.065 4.130 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.499 6.717 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.278 5.871 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.903 6.163 -5.028 1.00 0.00 H new ATOM 882 N TYR A 61 -4.609 1.131 -6.501 1.00 0.00 N ATOM 883 CA TYR A 61 -4.343 0.035 -7.416 1.00 0.00 C ATOM 884 C TYR A 61 -5.105 0.219 -8.729 1.00 0.00 C ATOM 885 O TYR A 61 -4.584 -0.081 -9.802 1.00 0.00 O ATOM 886 CB TYR A 61 -4.850 -1.229 -6.719 1.00 0.00 C ATOM 887 CG TYR A 61 -4.772 -2.490 -7.582 1.00 0.00 C ATOM 888 CD1 TYR A 61 -3.630 -3.265 -7.570 1.00 0.00 C ATOM 889 CD2 TYR A 61 -5.843 -2.852 -8.373 1.00 0.00 C ATOM 890 CE1 TYR A 61 -3.557 -4.452 -8.382 1.00 0.00 C ATOM 891 CE2 TYR A 61 -5.770 -4.039 -9.186 1.00 0.00 C ATOM 892 CZ TYR A 61 -4.631 -4.780 -9.150 1.00 0.00 C ATOM 893 OH TYR A 61 -4.561 -5.900 -9.917 1.00 0.00 O ATOM 0 H TYR A 61 -5.088 0.862 -5.642 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.281 -0.016 -7.654 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.270 -1.387 -5.810 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.885 -1.073 -6.414 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.791 -2.981 -6.952 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.736 -2.245 -8.383 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.670 -5.068 -8.381 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.601 -4.333 -9.810 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.400 -6.011 -10.411 1.00 0.00 H new ATOM 902 N ARG A 62 -6.329 0.712 -8.603 1.00 0.00 N ATOM 903 CA ARG A 62 -7.169 0.939 -9.766 1.00 0.00 C ATOM 904 C ARG A 62 -6.517 1.962 -10.699 1.00 0.00 C ATOM 905 O ARG A 62 -6.474 1.762 -11.912 1.00 0.00 O ATOM 906 CB ARG A 62 -8.554 1.443 -9.356 1.00 0.00 C ATOM 907 CG ARG A 62 -9.480 0.277 -9.005 1.00 0.00 C ATOM 908 CD ARG A 62 -10.682 0.757 -8.190 1.00 0.00 C ATOM 909 NE ARG A 62 -11.167 -0.333 -7.314 1.00 0.00 N ATOM 910 CZ ARG A 62 -12.142 -0.190 -6.406 1.00 0.00 C ATOM 911 NH1 ARG A 62 -12.740 0.999 -6.248 1.00 0.00 N ATOM 912 NH2 ARG A 62 -12.518 -1.234 -5.656 1.00 0.00 N ATOM 0 H ARG A 62 -6.759 0.961 -7.712 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.281 -0.013 -10.285 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.463 2.110 -8.499 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.988 2.025 -10.169 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.825 -0.205 -9.919 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.928 -0.473 -8.438 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.402 1.621 -7.588 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.480 1.080 -8.859 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.732 -1.251 -7.407 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.453 1.794 -6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.482 1.109 -5.557 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.062 -2.139 -5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.260 -1.125 -4.965 1.00 0.00 H new ATOM 923 N ARG A 63 -6.027 3.036 -10.097 1.00 0.00 N ATOM 924 CA ARG A 63 -5.380 4.091 -10.859 1.00 0.00 C ATOM 925 C ARG A 63 -4.426 3.490 -11.893 1.00 0.00 C ATOM 926 O ARG A 63 -4.467 3.855 -13.067 1.00 0.00 O ATOM 927 CB ARG A 63 -4.599 5.034 -9.941 1.00 0.00 C ATOM 928 CG ARG A 63 -5.517 6.102 -9.344 1.00 0.00 C ATOM 929 CD ARG A 63 -4.851 6.793 -8.151 1.00 0.00 C ATOM 930 NE ARG A 63 -5.774 6.809 -6.995 1.00 0.00 N ATOM 931 CZ ARG A 63 -6.915 7.510 -6.955 1.00 0.00 C ATOM 932 NH1 ARG A 63 -7.281 8.254 -8.008 1.00 0.00 N ATOM 933 NH2 ARG A 63 -7.692 7.465 -5.864 1.00 0.00 N ATOM 0 H ARG A 63 -6.065 3.198 -9.091 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.159 4.660 -11.366 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.131 4.462 -9.140 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.796 5.512 -10.503 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.764 6.841 -10.106 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.455 5.645 -9.027 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.931 6.272 -7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.573 7.812 -8.419 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.526 6.252 -6.177 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.691 8.286 -8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.150 8.788 -7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.415 6.897 -5.064 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.561 7.999 -5.834 1.00 0.00 H new ATOM 944 N ARG A 64 -3.588 2.579 -11.418 1.00 0.00 N ATOM 945 CA ARG A 64 -2.625 1.924 -12.287 1.00 0.00 C ATOM 946 C ARG A 64 -3.294 1.496 -13.595 1.00 0.00 C ATOM 947 O ARG A 64 -2.652 1.468 -14.644 1.00 0.00 O ATOM 948 CB ARG A 64 -2.017 0.694 -11.608 1.00 0.00 C ATOM 949 CG ARG A 64 -1.114 1.103 -10.442 1.00 0.00 C ATOM 950 CD ARG A 64 -0.064 0.028 -10.159 1.00 0.00 C ATOM 951 NE ARG A 64 1.270 0.496 -10.601 1.00 0.00 N ATOM 952 CZ ARG A 64 2.325 -0.309 -10.785 1.00 0.00 C ATOM 953 NH1 ARG A 64 2.209 -1.626 -10.567 1.00 0.00 N ATOM 954 NH2 ARG A 64 3.496 0.203 -11.187 1.00 0.00 N ATOM 0 H ARG A 64 -3.556 2.280 -10.443 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.830 2.639 -12.498 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.813 0.043 -11.246 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.442 0.120 -12.334 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.620 2.047 -10.673 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.718 1.270 -9.550 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.044 -0.201 -9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.326 -0.894 -10.678 1.00 0.00 H new ATOM 0 HE ARG A 64 1.393 1.493 -10.776 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.317 -2.016 -10.261 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.012 -2.239 -10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.584 1.206 -11.353 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.299 -0.410 -11.327 1.00 0.00 H new ATOM 965 N PHE A 65 -4.575 1.175 -13.490 1.00 0.00 N ATOM 966 CA PHE A 65 -5.338 0.751 -14.652 1.00 0.00 C ATOM 967 C PHE A 65 -4.486 -0.116 -15.579 1.00 0.00 C ATOM 968 O PHE A 65 -4.695 -1.325 -15.671 1.00 0.00 O ATOM 969 CB PHE A 65 -5.757 2.019 -15.398 1.00 0.00 C ATOM 970 CG PHE A 65 -7.267 2.264 -15.409 1.00 0.00 C ATOM 971 CD1 PHE A 65 -7.870 2.840 -14.335 1.00 0.00 C ATOM 972 CD2 PHE A 65 -8.006 1.906 -16.493 1.00 0.00 C ATOM 973 CE1 PHE A 65 -9.271 3.069 -14.345 1.00 0.00 C ATOM 974 CE2 PHE A 65 -9.408 2.134 -16.503 1.00 0.00 C ATOM 975 CZ PHE A 65 -10.011 2.710 -15.429 1.00 0.00 C ATOM 0 H PHE A 65 -5.104 1.200 -12.618 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.199 0.161 -14.338 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.263 2.877 -14.941 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.402 1.957 -16.427 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.283 3.123 -13.474 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.527 1.448 -17.346 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.749 3.528 -13.492 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.995 1.850 -17.364 1.00 0.00 H new ATOM 0 HZ PHE A 65 -11.077 2.883 -15.436 1.00 0.00 H new