USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 555 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 40 ASN : amide:sc= 1.73 K(o=2.6,f=-7.5!) USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0.919 USER MOD Set 2.1: A 18 MET CE :methyl 152:sc= -0.384 (180deg=-1.41!) USER MOD Set 2.2: A 78 HIS : no HE2:sc= -0.324 X(o=-0.71,f=-0.46) USER MOD Set 3.1: A -1 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 61 TYR OH : rot 0:sc= -0.112 USER MOD Single : A 9 LYS NZ :NH3+ 151:sc= 1.27 (180deg=0.229) USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.6) USER MOD Single : A 13 THR OG1 : rot -68:sc= 1.1 USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0715) USER MOD Single : A 22 LYS NZ :NH3+ 167:sc= -0.0444 (180deg=-0.269) USER MOD Single : A 23 SER OG : rot 76:sc= 1.24 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -162:sc= -0.153 (180deg=-0.692) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 1.33 (180deg=1.2) USER MOD Single : A 46 LYS NZ :NH3+ -148:sc= 1.27 (180deg=1.15) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 140:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0767 USER MOD Single : A 72 THR OG1 : rot 75:sc= 0.726 USER MOD Single : A 79 THR OG1 : rot 39:sc= 0.088 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 25:sc= 1.25 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 8.097 1.215 -16.661 1.00 7.54 N ATOM 2 CA GLY A -2 8.372 0.649 -15.321 1.00 6.84 C ATOM 3 C GLY A -2 8.313 1.701 -14.239 1.00 5.98 C ATOM 4 O GLY A -2 8.856 2.793 -14.401 1.00 5.92 O ATOM 0 H1 GLY A -2 8.147 0.460 -17.374 1.00 7.54 H new ATOM 0 H2 GLY A -2 7.147 1.638 -16.671 1.00 7.54 H new ATOM 0 H3 GLY A -2 8.803 1.946 -16.881 1.00 7.54 H new ATOM 0 HA2 GLY A -2 7.648 -0.136 -15.103 1.00 6.84 H new ATOM 0 HA3 GLY A -2 9.357 0.183 -15.320 1.00 6.84 H new ATOM 10 N SER A -1 7.686 1.368 -13.120 1.00 5.63 N ATOM 11 CA SER A -1 7.576 2.290 -11.996 1.00 5.13 C ATOM 12 C SER A -1 8.870 2.330 -11.181 1.00 4.14 C ATOM 13 O SER A -1 8.841 2.281 -9.952 1.00 4.20 O ATOM 14 CB SER A -1 6.396 1.886 -11.111 1.00 5.89 C ATOM 15 OG SER A -1 5.192 1.862 -11.863 1.00 6.58 O ATOM 0 H SER A -1 7.243 0.462 -12.965 1.00 5.63 H new ATOM 0 HA SER A -1 7.404 3.292 -12.388 1.00 5.13 H new ATOM 0 HB2 SER A -1 6.580 0.903 -10.677 1.00 5.89 H new ATOM 0 HB3 SER A -1 6.299 2.587 -10.282 1.00 5.89 H new ATOM 0 HG SER A -1 4.448 1.600 -11.281 1.00 6.58 H new ATOM 19 N VAL A 1 9.994 2.468 -11.883 1.00 3.59 N ATOM 20 CA VAL A 1 11.311 2.558 -11.258 1.00 2.90 C ATOM 21 C VAL A 1 11.545 1.365 -10.325 1.00 2.46 C ATOM 22 O VAL A 1 11.445 0.208 -10.746 1.00 2.65 O ATOM 23 CB VAL A 1 11.489 3.890 -10.479 1.00 2.83 C ATOM 24 CG1 VAL A 1 12.965 4.182 -10.229 1.00 2.99 C ATOM 25 CG2 VAL A 1 10.835 5.048 -11.220 1.00 3.50 C ATOM 0 H VAL A 1 10.016 2.520 -12.901 1.00 3.59 H new ATOM 0 HA VAL A 1 12.053 2.538 -12.056 1.00 2.90 H new ATOM 0 HB VAL A 1 10.993 3.779 -9.514 1.00 2.83 H new ATOM 0 HG11 VAL A 1 13.063 5.120 -9.682 1.00 2.99 H new ATOM 0 HG12 VAL A 1 13.402 3.373 -9.643 1.00 2.99 H new ATOM 0 HG13 VAL A 1 13.487 4.262 -11.183 1.00 2.99 H new ATOM 0 HG21 VAL A 1 10.975 5.968 -10.653 1.00 3.50 H new ATOM 0 HG22 VAL A 1 11.292 5.155 -12.204 1.00 3.50 H new ATOM 0 HG23 VAL A 1 9.769 4.851 -11.335 1.00 3.50 H new ATOM 35 N ASP A 2 11.773 1.660 -9.054 1.00 2.28 N ATOM 36 CA ASP A 2 11.944 0.649 -8.021 1.00 1.96 C ATOM 37 C ASP A 2 11.901 1.337 -6.669 1.00 1.39 C ATOM 38 O ASP A 2 12.520 2.388 -6.484 1.00 2.12 O ATOM 39 CB ASP A 2 13.272 -0.103 -8.189 1.00 2.27 C ATOM 40 CG ASP A 2 13.458 -1.223 -7.175 1.00 2.32 C ATOM 41 OD1 ASP A 2 13.601 -0.919 -5.972 1.00 2.66 O ATOM 42 OD2 ASP A 2 13.456 -2.409 -7.567 1.00 2.52 O ATOM 0 H ASP A 2 11.845 2.617 -8.707 1.00 2.28 H new ATOM 0 HA ASP A 2 11.142 -0.085 -8.101 1.00 1.96 H new ATOM 0 HB2 ASP A 2 13.321 -0.520 -9.195 1.00 2.27 H new ATOM 0 HB3 ASP A 2 14.097 0.604 -8.096 1.00 2.27 H new ATOM 45 N PHE A 3 11.101 0.809 -5.765 1.00 0.94 N ATOM 46 CA PHE A 3 10.926 1.429 -4.464 1.00 0.64 C ATOM 47 C PHE A 3 11.133 0.420 -3.350 1.00 0.52 C ATOM 48 O PHE A 3 10.508 0.512 -2.296 1.00 0.46 O ATOM 49 CB PHE A 3 9.538 2.068 -4.351 1.00 1.16 C ATOM 50 CG PHE A 3 8.397 1.181 -4.786 1.00 0.79 C ATOM 51 CD1 PHE A 3 8.208 -0.088 -4.242 1.00 0.86 C ATOM 52 CD2 PHE A 3 7.499 1.630 -5.740 1.00 0.87 C ATOM 53 CE1 PHE A 3 7.156 -0.876 -4.641 1.00 0.71 C ATOM 54 CE2 PHE A 3 6.443 0.841 -6.144 1.00 1.16 C ATOM 55 CZ PHE A 3 6.272 -0.411 -5.596 1.00 0.99 C ATOM 0 H PHE A 3 10.562 -0.046 -5.905 1.00 0.94 H new ATOM 0 HA PHE A 3 11.678 2.211 -4.362 1.00 0.64 H new ATOM 0 HB2 PHE A 3 9.374 2.366 -3.316 1.00 1.16 H new ATOM 0 HB3 PHE A 3 9.522 2.978 -4.951 1.00 1.16 H new ATOM 0 HD1 PHE A 3 8.898 -0.457 -3.497 1.00 0.86 H new ATOM 0 HD2 PHE A 3 7.628 2.611 -6.173 1.00 0.87 H new ATOM 0 HE1 PHE A 3 7.020 -1.857 -4.209 1.00 0.71 H new ATOM 0 HE2 PHE A 3 5.751 1.204 -6.889 1.00 1.16 H new ATOM 0 HZ PHE A 3 5.446 -1.030 -5.913 1.00 0.99 H new ATOM 63 N ALA A 4 12.014 -0.536 -3.583 1.00 0.56 N ATOM 64 CA ALA A 4 12.292 -1.551 -2.585 1.00 0.55 C ATOM 65 C ALA A 4 12.850 -0.913 -1.320 1.00 0.57 C ATOM 66 O ALA A 4 12.318 -1.105 -0.221 1.00 0.54 O ATOM 67 CB ALA A 4 13.270 -2.577 -3.129 1.00 0.64 C ATOM 0 H ALA A 4 12.546 -0.630 -4.448 1.00 0.56 H new ATOM 0 HA ALA A 4 11.358 -2.056 -2.339 1.00 0.55 H new ATOM 0 HB1 ALA A 4 13.467 -3.331 -2.367 1.00 0.64 H new ATOM 0 HB2 ALA A 4 12.843 -3.055 -4.011 1.00 0.64 H new ATOM 0 HB3 ALA A 4 14.203 -2.082 -3.400 1.00 0.64 H new ATOM 73 N PHE A 5 13.864 -0.077 -1.502 1.00 0.62 N ATOM 74 CA PHE A 5 14.473 0.638 -0.394 1.00 0.66 C ATOM 75 C PHE A 5 13.480 1.612 0.228 1.00 0.59 C ATOM 76 O PHE A 5 13.395 1.720 1.448 1.00 0.57 O ATOM 77 CB PHE A 5 15.725 1.383 -0.863 1.00 0.79 C ATOM 78 CG PHE A 5 16.536 1.970 0.260 1.00 0.85 C ATOM 79 CD1 PHE A 5 16.814 1.223 1.394 1.00 1.04 C ATOM 80 CD2 PHE A 5 17.022 3.265 0.181 1.00 1.20 C ATOM 81 CE1 PHE A 5 17.561 1.756 2.426 1.00 1.46 C ATOM 82 CE2 PHE A 5 17.769 3.803 1.211 1.00 1.56 C ATOM 83 CZ PHE A 5 18.039 3.048 2.335 1.00 1.65 C ATOM 0 H PHE A 5 14.282 0.121 -2.411 1.00 0.62 H new ATOM 0 HA PHE A 5 14.763 -0.089 0.364 1.00 0.66 H new ATOM 0 HB2 PHE A 5 16.353 0.698 -1.433 1.00 0.79 H new ATOM 0 HB3 PHE A 5 15.428 2.183 -1.542 1.00 0.79 H new ATOM 0 HD1 PHE A 5 16.442 0.212 1.471 1.00 1.04 H new ATOM 0 HD2 PHE A 5 16.815 3.861 -0.696 1.00 1.20 H new ATOM 0 HE1 PHE A 5 17.771 1.163 3.304 1.00 1.46 H new ATOM 0 HE2 PHE A 5 18.142 4.814 1.137 1.00 1.56 H new ATOM 0 HZ PHE A 5 18.623 3.467 3.141 1.00 1.65 H new ATOM 91 N GLU A 6 12.728 2.312 -0.616 1.00 0.57 N ATOM 92 CA GLU A 6 11.744 3.279 -0.140 1.00 0.53 C ATOM 93 C GLU A 6 10.665 2.616 0.709 1.00 0.49 C ATOM 94 O GLU A 6 10.361 3.085 1.799 1.00 0.49 O ATOM 95 CB GLU A 6 11.102 4.023 -1.310 1.00 0.57 C ATOM 96 CG GLU A 6 12.028 5.039 -1.949 1.00 0.70 C ATOM 97 CD GLU A 6 12.584 6.023 -0.938 1.00 1.42 C ATOM 98 OE1 GLU A 6 11.789 6.768 -0.329 1.00 1.97 O ATOM 99 OE2 GLU A 6 13.819 6.065 -0.765 1.00 2.09 O ATOM 0 H GLU A 6 12.781 2.228 -1.631 1.00 0.57 H new ATOM 0 HA GLU A 6 12.276 3.995 0.487 1.00 0.53 H new ATOM 0 HB2 GLU A 6 10.789 3.301 -2.064 1.00 0.57 H new ATOM 0 HB3 GLU A 6 10.202 4.530 -0.961 1.00 0.57 H new ATOM 0 HG2 GLU A 6 12.852 4.520 -2.439 1.00 0.70 H new ATOM 0 HG3 GLU A 6 11.488 5.583 -2.724 1.00 0.70 H new ATOM 102 N LEU A 7 10.109 1.515 0.223 1.00 0.49 N ATOM 103 CA LEU A 7 9.069 0.803 0.955 1.00 0.51 C ATOM 104 C LEU A 7 9.608 0.293 2.288 1.00 0.53 C ATOM 105 O LEU A 7 8.970 0.457 3.330 1.00 0.56 O ATOM 106 CB LEU A 7 8.521 -0.354 0.117 1.00 0.56 C ATOM 107 CG LEU A 7 7.296 -1.063 0.701 1.00 0.79 C ATOM 108 CD1 LEU A 7 6.153 -0.080 0.908 1.00 1.43 C ATOM 109 CD2 LEU A 7 6.860 -2.191 -0.215 1.00 1.45 C ATOM 0 H LEU A 7 10.359 1.096 -0.673 1.00 0.49 H new ATOM 0 HA LEU A 7 8.253 1.496 1.158 1.00 0.51 H new ATOM 0 HB2 LEU A 7 8.263 0.026 -0.872 1.00 0.56 H new ATOM 0 HB3 LEU A 7 9.314 -1.089 -0.020 1.00 0.56 H new ATOM 0 HG LEU A 7 7.568 -1.480 1.670 1.00 0.79 H new ATOM 0 HD11 LEU A 7 5.293 -0.605 1.324 1.00 1.43 H new ATOM 0 HD12 LEU A 7 6.468 0.704 1.597 1.00 1.43 H new ATOM 0 HD13 LEU A 7 5.879 0.366 -0.048 1.00 1.43 H new ATOM 0 HD21 LEU A 7 5.988 -2.688 0.210 1.00 1.45 H new ATOM 0 HD22 LEU A 7 6.605 -1.786 -1.195 1.00 1.45 H new ATOM 0 HD23 LEU A 7 7.673 -2.910 -0.319 1.00 1.45 H new ATOM 119 N ARG A 8 10.822 -0.251 2.265 1.00 0.56 N ATOM 120 CA ARG A 8 11.482 -0.703 3.489 1.00 0.62 C ATOM 121 C ARG A 8 11.744 0.474 4.430 1.00 0.60 C ATOM 122 O ARG A 8 11.492 0.388 5.633 1.00 0.63 O ATOM 123 CB ARG A 8 12.786 -1.424 3.142 1.00 0.70 C ATOM 124 CG ARG A 8 12.558 -2.767 2.467 1.00 1.30 C ATOM 125 CD ARG A 8 13.784 -3.229 1.697 1.00 1.61 C ATOM 126 NE ARG A 8 13.547 -4.501 1.015 1.00 1.92 N ATOM 127 CZ ARG A 8 14.262 -4.943 -0.019 1.00 2.84 C ATOM 128 NH1 ARG A 8 15.242 -4.204 -0.525 1.00 3.51 N ATOM 129 NH2 ARG A 8 13.996 -6.131 -0.538 1.00 3.56 N ATOM 0 H ARG A 8 11.368 -0.390 1.415 1.00 0.56 H new ATOM 0 HA ARG A 8 10.824 -1.402 4.005 1.00 0.62 H new ATOM 0 HB2 ARG A 8 13.382 -0.790 2.486 1.00 0.70 H new ATOM 0 HB3 ARG A 8 13.365 -1.575 4.053 1.00 0.70 H new ATOM 0 HG2 ARG A 8 12.300 -3.512 3.219 1.00 1.30 H new ATOM 0 HG3 ARG A 8 11.709 -2.692 1.787 1.00 1.30 H new ATOM 0 HD2 ARG A 8 14.062 -2.470 0.965 1.00 1.61 H new ATOM 0 HD3 ARG A 8 14.625 -3.335 2.382 1.00 1.61 H new ATOM 0 HE ARG A 8 12.785 -5.088 1.353 1.00 1.92 H new ATOM 0 HH11 ARG A 8 15.452 -3.291 -0.122 1.00 3.51 H new ATOM 0 HH12 ARG A 8 15.785 -4.549 -1.317 1.00 3.51 H new ATOM 0 HH21 ARG A 8 13.247 -6.703 -0.147 1.00 3.56 H new ATOM 0 HH22 ARG A 8 14.540 -6.475 -1.330 1.00 3.56 H new ATOM 137 N LYS A 9 12.173 1.590 3.853 1.00 0.56 N ATOM 138 CA LYS A 9 12.411 2.819 4.600 1.00 0.56 C ATOM 139 C LYS A 9 11.115 3.321 5.237 1.00 0.50 C ATOM 140 O LYS A 9 11.111 3.777 6.383 1.00 0.50 O ATOM 141 CB LYS A 9 12.980 3.890 3.663 1.00 0.60 C ATOM 142 CG LYS A 9 13.439 5.159 4.366 1.00 1.06 C ATOM 143 CD LYS A 9 13.810 6.247 3.365 1.00 1.67 C ATOM 144 CE LYS A 9 14.884 5.780 2.392 1.00 2.14 C ATOM 145 NZ LYS A 9 15.195 6.812 1.368 1.00 2.75 N ATOM 0 H LYS A 9 12.366 1.668 2.854 1.00 0.56 H new ATOM 0 HA LYS A 9 13.129 2.612 5.394 1.00 0.56 H new ATOM 0 HB2 LYS A 9 13.823 3.467 3.116 1.00 0.60 H new ATOM 0 HB3 LYS A 9 12.221 4.152 2.926 1.00 0.60 H new ATOM 0 HG2 LYS A 9 12.647 5.520 5.021 1.00 1.06 H new ATOM 0 HG3 LYS A 9 14.298 4.936 4.998 1.00 1.06 H new ATOM 0 HD2 LYS A 9 12.922 6.547 2.809 1.00 1.67 H new ATOM 0 HD3 LYS A 9 14.163 7.128 3.901 1.00 1.67 H new ATOM 0 HE2 LYS A 9 15.791 5.533 2.944 1.00 2.14 H new ATOM 0 HE3 LYS A 9 14.553 4.867 1.897 1.00 2.14 H new ATOM 0 HZ1 LYS A 9 16.183 6.709 1.061 1.00 2.75 H new ATOM 0 HZ2 LYS A 9 14.564 6.691 0.550 1.00 2.75 H new ATOM 0 HZ3 LYS A 9 15.056 7.759 1.776 1.00 2.75 H new ATOM 151 N ALA A 10 10.025 3.249 4.480 1.00 0.47 N ATOM 152 CA ALA A 10 8.719 3.692 4.952 1.00 0.44 C ATOM 153 C ALA A 10 8.262 2.859 6.141 1.00 0.45 C ATOM 154 O ALA A 10 7.760 3.395 7.127 1.00 0.47 O ATOM 155 CB ALA A 10 7.694 3.623 3.828 1.00 0.44 C ATOM 0 H ALA A 10 10.022 2.884 3.528 1.00 0.47 H new ATOM 0 HA ALA A 10 8.809 4.729 5.277 1.00 0.44 H new ATOM 0 HB1 ALA A 10 6.725 3.957 4.198 1.00 0.44 H new ATOM 0 HB2 ALA A 10 8.010 4.266 3.007 1.00 0.44 H new ATOM 0 HB3 ALA A 10 7.612 2.596 3.473 1.00 0.44 H new ATOM 161 N GLN A 11 8.484 1.552 6.055 1.00 0.47 N ATOM 162 CA GLN A 11 8.142 0.642 7.145 1.00 0.53 C ATOM 163 C GLN A 11 8.962 0.964 8.387 1.00 0.58 C ATOM 164 O GLN A 11 8.515 0.748 9.516 1.00 0.63 O ATOM 165 CB GLN A 11 8.392 -0.812 6.739 1.00 0.59 C ATOM 166 CG GLN A 11 7.597 -1.260 5.526 1.00 1.07 C ATOM 167 CD GLN A 11 7.852 -2.710 5.167 1.00 1.69 C ATOM 168 OE1 GLN A 11 7.490 -3.620 5.911 1.00 2.18 O ATOM 169 NE2 GLN A 11 8.490 -2.931 4.028 1.00 2.44 N ATOM 0 H GLN A 11 8.899 1.098 5.242 1.00 0.47 H new ATOM 0 HA GLN A 11 7.083 0.773 7.367 1.00 0.53 H new ATOM 0 HB2 GLN A 11 9.454 -0.943 6.533 1.00 0.59 H new ATOM 0 HB3 GLN A 11 8.148 -1.460 7.580 1.00 0.59 H new ATOM 0 HG2 GLN A 11 6.534 -1.119 5.720 1.00 1.07 H new ATOM 0 HG3 GLN A 11 7.852 -0.628 4.675 1.00 1.07 H new ATOM 0 HE21 GLN A 11 8.772 -2.146 3.441 1.00 2.44 H new ATOM 0 HE22 GLN A 11 8.699 -3.886 3.738 1.00 2.44 H new ATOM 174 N ASP A 12 10.202 1.368 8.166 1.00 0.61 N ATOM 175 CA ASP A 12 11.134 1.617 9.254 1.00 0.73 C ATOM 176 C ASP A 12 10.882 2.974 9.913 1.00 0.68 C ATOM 177 O ASP A 12 10.825 3.071 11.140 1.00 0.73 O ATOM 178 CB ASP A 12 12.566 1.543 8.721 1.00 0.92 C ATOM 179 CG ASP A 12 13.613 1.614 9.815 1.00 0.95 C ATOM 180 OD1 ASP A 12 13.827 2.718 10.359 1.00 1.43 O ATOM 181 OD2 ASP A 12 14.226 0.573 10.136 1.00 1.32 O ATOM 0 H ASP A 12 10.589 1.532 7.236 1.00 0.61 H new ATOM 0 HA ASP A 12 10.985 0.852 10.016 1.00 0.73 H new ATOM 0 HB2 ASP A 12 12.693 0.614 8.165 1.00 0.92 H new ATOM 0 HB3 ASP A 12 12.728 2.360 8.018 1.00 0.92 H new ATOM 184 N THR A 13 10.783 4.023 9.104 1.00 0.64 N ATOM 185 CA THR A 13 10.640 5.377 9.630 1.00 0.68 C ATOM 186 C THR A 13 9.191 5.712 9.982 1.00 0.58 C ATOM 187 O THR A 13 8.892 6.094 11.115 1.00 0.95 O ATOM 188 CB THR A 13 11.190 6.425 8.638 1.00 0.96 C ATOM 189 OG1 THR A 13 10.592 6.260 7.343 1.00 1.96 O ATOM 190 CG2 THR A 13 12.700 6.305 8.516 1.00 1.02 C ATOM 0 H THR A 13 10.799 3.963 8.086 1.00 0.64 H new ATOM 0 HA THR A 13 11.227 5.412 10.548 1.00 0.68 H new ATOM 0 HB THR A 13 10.940 7.414 9.023 1.00 0.96 H new ATOM 0 HG1 THR A 13 10.903 5.421 6.943 1.00 1.96 H new ATOM 0 HG21 THR A 13 13.069 7.052 7.813 1.00 1.02 H new ATOM 0 HG22 THR A 13 13.158 6.468 9.492 1.00 1.02 H new ATOM 0 HG23 THR A 13 12.958 5.309 8.156 1.00 1.02 H new ATOM 198 N GLY A 14 8.300 5.568 9.012 1.00 0.59 N ATOM 199 CA GLY A 14 6.902 5.866 9.231 1.00 0.55 C ATOM 200 C GLY A 14 6.147 4.690 9.814 1.00 0.50 C ATOM 201 O GLY A 14 6.508 4.169 10.872 1.00 0.64 O ATOM 0 H GLY A 14 8.524 5.247 8.070 1.00 0.59 H new ATOM 0 HA2 GLY A 14 6.816 6.719 9.904 1.00 0.55 H new ATOM 0 HA3 GLY A 14 6.443 6.157 8.286 1.00 0.55 H new ATOM 205 N LYS A 15 5.115 4.255 9.109 1.00 0.47 N ATOM 206 CA LYS A 15 4.316 3.117 9.537 1.00 0.55 C ATOM 207 C LYS A 15 3.589 2.499 8.351 1.00 0.41 C ATOM 208 O LYS A 15 2.832 3.176 7.653 1.00 0.42 O ATOM 209 CB LYS A 15 3.303 3.542 10.609 1.00 0.85 C ATOM 210 CG LYS A 15 2.412 2.408 11.103 1.00 1.63 C ATOM 211 CD LYS A 15 3.233 1.260 11.667 1.00 2.21 C ATOM 212 CE LYS A 15 2.350 0.118 12.148 1.00 2.74 C ATOM 213 NZ LYS A 15 1.527 0.504 13.325 1.00 3.52 N ATOM 0 H LYS A 15 4.809 4.676 8.232 1.00 0.47 H new ATOM 0 HA LYS A 15 4.987 2.372 9.965 1.00 0.55 H new ATOM 0 HB2 LYS A 15 3.842 3.963 11.458 1.00 0.85 H new ATOM 0 HB3 LYS A 15 2.674 4.336 10.206 1.00 0.85 H new ATOM 0 HG2 LYS A 15 1.735 2.784 11.870 1.00 1.63 H new ATOM 0 HG3 LYS A 15 1.794 2.045 10.282 1.00 1.63 H new ATOM 0 HD2 LYS A 15 3.918 0.893 10.903 1.00 2.21 H new ATOM 0 HD3 LYS A 15 3.843 1.621 12.495 1.00 2.21 H new ATOM 0 HE2 LYS A 15 1.695 -0.199 11.337 1.00 2.74 H new ATOM 0 HE3 LYS A 15 2.974 -0.737 12.407 1.00 2.74 H new ATOM 0 HZ1 LYS A 15 1.045 -0.337 13.702 1.00 3.52 H new ATOM 0 HZ2 LYS A 15 2.141 0.910 14.060 1.00 3.52 H new ATOM 0 HZ3 LYS A 15 0.819 1.209 13.037 1.00 3.52 H new ATOM 219 N ILE A 16 3.804 1.209 8.145 1.00 0.40 N ATOM 220 CA ILE A 16 3.143 0.479 7.072 1.00 0.37 C ATOM 221 C ILE A 16 2.349 -0.684 7.652 1.00 0.38 C ATOM 222 O ILE A 16 2.877 -1.468 8.440 1.00 0.48 O ATOM 223 CB ILE A 16 4.161 -0.073 6.047 1.00 0.51 C ATOM 224 CG1 ILE A 16 5.033 1.053 5.483 1.00 0.59 C ATOM 225 CG2 ILE A 16 3.447 -0.811 4.922 1.00 0.63 C ATOM 226 CD1 ILE A 16 4.262 2.114 4.731 1.00 0.99 C ATOM 0 H ILE A 16 4.436 0.642 8.711 1.00 0.40 H new ATOM 0 HA ILE A 16 2.479 1.176 6.561 1.00 0.37 H new ATOM 0 HB ILE A 16 4.810 -0.780 6.564 1.00 0.51 H new ATOM 0 HG12 ILE A 16 5.573 1.525 6.304 1.00 0.59 H new ATOM 0 HG13 ILE A 16 5.779 0.621 4.817 1.00 0.59 H new ATOM 0 HG21 ILE A 16 4.182 -1.191 4.212 1.00 0.63 H new ATOM 0 HG22 ILE A 16 2.878 -1.644 5.336 1.00 0.63 H new ATOM 0 HG23 ILE A 16 2.769 -0.127 4.411 1.00 0.63 H new ATOM 0 HD11 ILE A 16 4.952 2.874 4.364 1.00 0.99 H new ATOM 0 HD12 ILE A 16 3.743 1.658 3.888 1.00 0.99 H new ATOM 0 HD13 ILE A 16 3.534 2.576 5.398 1.00 0.99 H new ATOM 236 N VAL A 17 1.081 -0.782 7.286 1.00 0.36 N ATOM 237 CA VAL A 17 0.229 -1.856 7.777 1.00 0.37 C ATOM 238 C VAL A 17 0.076 -2.948 6.725 1.00 0.37 C ATOM 239 O VAL A 17 -0.469 -2.716 5.648 1.00 0.59 O ATOM 240 CB VAL A 17 -1.160 -1.329 8.188 1.00 0.51 C ATOM 241 CG1 VAL A 17 -2.052 -2.462 8.678 1.00 0.83 C ATOM 242 CG2 VAL A 17 -1.018 -0.261 9.260 1.00 1.04 C ATOM 0 H VAL A 17 0.618 -0.132 6.651 1.00 0.36 H new ATOM 0 HA VAL A 17 0.712 -2.277 8.659 1.00 0.37 H new ATOM 0 HB VAL A 17 -1.632 -0.887 7.310 1.00 0.51 H new ATOM 0 HG11 VAL A 17 -3.026 -2.062 8.961 1.00 0.83 H new ATOM 0 HG12 VAL A 17 -2.179 -3.196 7.882 1.00 0.83 H new ATOM 0 HG13 VAL A 17 -1.591 -2.940 9.542 1.00 0.83 H new ATOM 0 HG21 VAL A 17 -2.005 0.104 9.543 1.00 1.04 H new ATOM 0 HG22 VAL A 17 -0.524 -0.686 10.134 1.00 1.04 H new ATOM 0 HG23 VAL A 17 -0.422 0.566 8.873 1.00 1.04 H new ATOM 252 N MET A 18 0.576 -4.129 7.042 1.00 0.32 N ATOM 253 CA MET A 18 0.517 -5.259 6.140 1.00 0.42 C ATOM 254 C MET A 18 -0.818 -5.988 6.270 1.00 0.63 C ATOM 255 O MET A 18 -1.151 -6.507 7.340 1.00 0.87 O ATOM 256 CB MET A 18 1.676 -6.201 6.456 1.00 0.74 C ATOM 257 CG MET A 18 1.523 -7.582 5.861 1.00 1.20 C ATOM 258 SD MET A 18 2.718 -8.750 6.534 1.00 1.77 S ATOM 259 CE MET A 18 2.266 -8.710 8.269 1.00 2.03 C ATOM 0 H MET A 18 1.033 -4.329 7.932 1.00 0.32 H new ATOM 0 HA MET A 18 0.601 -4.907 5.112 1.00 0.42 H new ATOM 0 HB2 MET A 18 2.602 -5.758 6.088 1.00 0.74 H new ATOM 0 HB3 MET A 18 1.773 -6.291 7.538 1.00 0.74 H new ATOM 0 HG2 MET A 18 0.514 -7.948 6.051 1.00 1.20 H new ATOM 0 HG3 MET A 18 1.643 -7.525 4.779 1.00 1.20 H new ATOM 0 HE1 MET A 18 2.516 -9.664 8.732 1.00 2.03 H new ATOM 0 HE2 MET A 18 2.812 -7.910 8.769 1.00 2.03 H new ATOM 0 HE3 MET A 18 1.195 -8.531 8.362 1.00 2.03 H new ATOM 265 N GLY A 19 -1.570 -6.041 5.180 1.00 0.70 N ATOM 266 CA GLY A 19 -2.842 -6.733 5.189 1.00 1.09 C ATOM 267 C GLY A 19 -3.812 -6.158 4.179 1.00 0.88 C ATOM 268 O GLY A 19 -4.089 -4.960 4.195 1.00 1.71 O ATOM 0 H GLY A 19 -1.321 -5.616 4.287 1.00 0.70 H new ATOM 0 HA2 GLY A 19 -2.681 -7.789 4.975 1.00 1.09 H new ATOM 0 HA3 GLY A 19 -3.279 -6.673 6.186 1.00 1.09 H new ATOM 272 N ALA A 20 -4.343 -7.011 3.312 1.00 0.76 N ATOM 273 CA ALA A 20 -5.281 -6.574 2.285 1.00 0.53 C ATOM 274 C ALA A 20 -6.568 -6.049 2.911 1.00 0.48 C ATOM 275 O ALA A 20 -6.959 -4.904 2.688 1.00 0.49 O ATOM 276 CB ALA A 20 -5.580 -7.720 1.330 1.00 0.67 C ATOM 0 H ALA A 20 -4.140 -8.011 3.299 1.00 0.76 H new ATOM 0 HA ALA A 20 -4.824 -5.759 1.724 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -6.282 -7.384 0.567 1.00 0.67 H new ATOM 0 HB2 ALA A 20 -4.656 -8.048 0.854 1.00 0.67 H new ATOM 0 HB3 ALA A 20 -6.017 -8.551 1.884 1.00 0.67 H new ATOM 282 N ARG A 21 -7.186 -6.876 3.740 1.00 0.50 N ATOM 283 CA ARG A 21 -8.409 -6.495 4.435 1.00 0.54 C ATOM 284 C ARG A 21 -8.133 -5.419 5.483 1.00 0.49 C ATOM 285 O ARG A 21 -8.992 -4.585 5.770 1.00 0.54 O ATOM 286 CB ARG A 21 -9.069 -7.719 5.071 1.00 0.66 C ATOM 287 CG ARG A 21 -8.127 -8.571 5.900 1.00 1.48 C ATOM 288 CD ARG A 21 -8.795 -9.862 6.344 1.00 1.94 C ATOM 289 NE ARG A 21 -7.852 -10.776 6.988 1.00 2.79 N ATOM 290 CZ ARG A 21 -6.842 -11.381 6.357 1.00 3.74 C ATOM 291 NH1 ARG A 21 -6.708 -11.272 5.038 1.00 4.12 N ATOM 292 NH2 ARG A 21 -5.987 -12.123 7.047 1.00 4.68 N ATOM 0 H ARG A 21 -6.860 -7.820 3.949 1.00 0.50 H new ATOM 0 HA ARG A 21 -9.099 -6.076 3.702 1.00 0.54 H new ATOM 0 HB2 ARG A 21 -9.892 -7.387 5.703 1.00 0.66 H new ATOM 0 HB3 ARG A 21 -9.501 -8.336 4.283 1.00 0.66 H new ATOM 0 HG2 ARG A 21 -7.235 -8.802 5.318 1.00 1.48 H new ATOM 0 HG3 ARG A 21 -7.800 -8.009 6.775 1.00 1.48 H new ATOM 0 HD2 ARG A 21 -9.605 -9.631 7.036 1.00 1.94 H new ATOM 0 HD3 ARG A 21 -9.243 -10.353 5.480 1.00 1.94 H new ATOM 0 HE ARG A 21 -7.973 -10.964 7.983 1.00 2.79 H new ATOM 0 HH11 ARG A 21 -7.379 -10.723 4.501 1.00 4.12 H new ATOM 0 HH12 ARG A 21 -5.934 -11.737 4.564 1.00 4.12 H new ATOM 0 HH21 ARG A 21 -6.102 -12.230 8.055 1.00 4.68 H new ATOM 0 HH22 ARG A 21 -5.214 -12.587 6.570 1.00 4.68 H new ATOM 300 N LYS A 22 -6.918 -5.415 6.017 1.00 0.46 N ATOM 301 CA LYS A 22 -6.520 -4.410 6.993 1.00 0.49 C ATOM 302 C LYS A 22 -6.460 -3.032 6.344 1.00 0.47 C ATOM 303 O LYS A 22 -6.873 -2.037 6.940 1.00 0.49 O ATOM 304 CB LYS A 22 -5.169 -4.760 7.620 1.00 0.50 C ATOM 305 CG LYS A 22 -5.174 -6.084 8.368 1.00 0.80 C ATOM 306 CD LYS A 22 -3.927 -6.259 9.222 1.00 1.14 C ATOM 307 CE LYS A 22 -3.853 -5.215 10.326 1.00 1.61 C ATOM 308 NZ LYS A 22 -5.025 -5.278 11.241 1.00 1.91 N ATOM 0 H LYS A 22 -6.193 -6.095 5.791 1.00 0.46 H new ATOM 0 HA LYS A 22 -7.269 -4.393 7.785 1.00 0.49 H new ATOM 0 HB2 LYS A 22 -4.412 -4.797 6.837 1.00 0.50 H new ATOM 0 HB3 LYS A 22 -4.879 -3.965 8.306 1.00 0.50 H new ATOM 0 HG2 LYS A 22 -6.059 -6.139 9.002 1.00 0.80 H new ATOM 0 HG3 LYS A 22 -5.242 -6.904 7.653 1.00 0.80 H new ATOM 0 HD2 LYS A 22 -3.924 -7.256 9.663 1.00 1.14 H new ATOM 0 HD3 LYS A 22 -3.041 -6.186 8.592 1.00 1.14 H new ATOM 0 HE2 LYS A 22 -2.938 -5.361 10.900 1.00 1.61 H new ATOM 0 HE3 LYS A 22 -3.795 -4.222 9.881 1.00 1.61 H new ATOM 0 HZ1 LYS A 22 -4.832 -4.711 12.091 1.00 1.91 H new ATOM 0 HZ2 LYS A 22 -5.864 -4.901 10.756 1.00 1.91 H new ATOM 0 HZ3 LYS A 22 -5.198 -6.266 11.516 1.00 1.91 H new ATOM 314 N SER A 23 -5.999 -2.987 5.101 1.00 0.46 N ATOM 315 CA SER A 23 -5.953 -1.743 4.350 1.00 0.48 C ATOM 316 C SER A 23 -7.365 -1.194 4.137 1.00 0.48 C ATOM 317 O SER A 23 -7.591 0.010 4.235 1.00 0.50 O ATOM 318 CB SER A 23 -5.252 -1.963 3.010 1.00 0.52 C ATOM 319 OG SER A 23 -3.934 -2.451 3.202 1.00 1.14 O ATOM 0 H SER A 23 -5.651 -3.800 4.592 1.00 0.46 H new ATOM 0 HA SER A 23 -5.385 -1.009 4.922 1.00 0.48 H new ATOM 0 HB2 SER A 23 -5.822 -2.671 2.409 1.00 0.52 H new ATOM 0 HB3 SER A 23 -5.220 -1.026 2.454 1.00 0.52 H new ATOM 0 HG SER A 23 -3.968 -3.401 3.441 1.00 1.14 H new ATOM 323 N ILE A 24 -8.327 -2.100 3.951 1.00 0.49 N ATOM 324 CA ILE A 24 -9.731 -1.721 3.831 1.00 0.52 C ATOM 325 C ILE A 24 -10.206 -1.038 5.112 1.00 0.49 C ATOM 326 O ILE A 24 -10.884 -0.011 5.073 1.00 0.52 O ATOM 327 CB ILE A 24 -10.635 -2.945 3.557 1.00 0.57 C ATOM 328 CG1 ILE A 24 -10.117 -3.736 2.354 1.00 0.63 C ATOM 329 CG2 ILE A 24 -12.070 -2.499 3.317 1.00 0.60 C ATOM 330 CD1 ILE A 24 -10.895 -5.005 2.077 1.00 0.66 C ATOM 0 H ILE A 24 -8.156 -3.103 3.880 1.00 0.49 H new ATOM 0 HA ILE A 24 -9.806 -1.035 2.987 1.00 0.52 H new ATOM 0 HB ILE A 24 -10.612 -3.594 4.433 1.00 0.57 H new ATOM 0 HG12 ILE A 24 -10.152 -3.099 1.470 1.00 0.63 H new ATOM 0 HG13 ILE A 24 -9.071 -3.992 2.522 1.00 0.63 H new ATOM 0 HG21 ILE A 24 -12.695 -3.371 3.125 1.00 0.60 H new ATOM 0 HG22 ILE A 24 -12.440 -1.974 4.198 1.00 0.60 H new ATOM 0 HG23 ILE A 24 -12.104 -1.832 2.456 1.00 0.60 H new ATOM 0 HD11 ILE A 24 -10.469 -5.511 1.210 1.00 0.66 H new ATOM 0 HD12 ILE A 24 -10.840 -5.662 2.945 1.00 0.66 H new ATOM 0 HD13 ILE A 24 -11.937 -4.756 1.876 1.00 0.66 H new ATOM 340 N GLN A 25 -9.808 -1.604 6.247 1.00 0.47 N ATOM 341 CA GLN A 25 -10.165 -1.062 7.553 1.00 0.49 C ATOM 342 C GLN A 25 -9.599 0.346 7.733 1.00 0.44 C ATOM 343 O GLN A 25 -10.310 1.261 8.153 1.00 0.47 O ATOM 344 CB GLN A 25 -9.653 -1.988 8.657 1.00 0.54 C ATOM 345 CG GLN A 25 -10.027 -1.543 10.061 1.00 0.81 C ATOM 346 CD GLN A 25 -9.665 -2.578 11.106 1.00 1.35 C ATOM 347 OE1 GLN A 25 -10.138 -3.714 11.060 1.00 2.19 O ATOM 348 NE2 GLN A 25 -8.822 -2.202 12.053 1.00 1.75 N ATOM 0 H GLN A 25 -9.233 -2.445 6.288 1.00 0.47 H new ATOM 0 HA GLN A 25 -11.251 -0.998 7.617 1.00 0.49 H new ATOM 0 HB2 GLN A 25 -10.047 -2.990 8.488 1.00 0.54 H new ATOM 0 HB3 GLN A 25 -8.567 -2.056 8.586 1.00 0.54 H new ATOM 0 HG2 GLN A 25 -9.520 -0.606 10.290 1.00 0.81 H new ATOM 0 HG3 GLN A 25 -11.098 -1.345 10.104 1.00 0.81 H new ATOM 0 HE21 GLN A 25 -8.451 -1.252 12.058 1.00 1.75 H new ATOM 0 HE22 GLN A 25 -8.543 -2.862 12.779 1.00 1.75 H new ATOM 353 N TYR A 26 -8.341 0.528 7.352 1.00 0.41 N ATOM 354 CA TYR A 26 -7.705 1.839 7.431 1.00 0.42 C ATOM 355 C TYR A 26 -8.340 2.819 6.453 1.00 0.42 C ATOM 356 O TYR A 26 -8.492 4.000 6.763 1.00 0.46 O ATOM 357 CB TYR A 26 -6.198 1.739 7.190 1.00 0.43 C ATOM 358 CG TYR A 26 -5.427 1.336 8.426 1.00 0.46 C ATOM 359 CD1 TYR A 26 -5.596 0.077 8.989 1.00 0.47 C ATOM 360 CD2 TYR A 26 -4.524 2.206 9.024 1.00 0.56 C ATOM 361 CE1 TYR A 26 -4.884 -0.303 10.108 1.00 0.54 C ATOM 362 CE2 TYR A 26 -3.811 1.832 10.146 1.00 0.62 C ATOM 363 CZ TYR A 26 -4.025 0.610 10.712 1.00 0.57 C ATOM 364 OH TYR A 26 -3.287 0.201 11.800 1.00 0.66 O ATOM 0 H TYR A 26 -7.742 -0.212 6.986 1.00 0.41 H new ATOM 0 HA TYR A 26 -7.862 2.218 8.441 1.00 0.42 H new ATOM 0 HB2 TYR A 26 -6.010 1.014 6.399 1.00 0.43 H new ATOM 0 HB3 TYR A 26 -5.828 2.701 6.835 1.00 0.43 H new ATOM 0 HD1 TYR A 26 -6.296 -0.615 8.544 1.00 0.47 H new ATOM 0 HD2 TYR A 26 -4.377 3.190 8.605 1.00 0.56 H new ATOM 0 HE1 TYR A 26 -4.992 -1.299 10.511 1.00 0.54 H new ATOM 0 HE2 TYR A 26 -3.085 2.507 10.575 1.00 0.62 H new ATOM 0 HH TYR A 26 -2.731 0.944 12.116 1.00 0.66 H new ATOM 372 N ALA A 27 -8.769 2.313 5.306 1.00 0.40 N ATOM 373 CA ALA A 27 -9.469 3.130 4.326 1.00 0.44 C ATOM 374 C ALA A 27 -10.790 3.633 4.904 1.00 0.48 C ATOM 375 O ALA A 27 -11.176 4.782 4.693 1.00 0.55 O ATOM 376 CB ALA A 27 -9.709 2.340 3.048 1.00 0.47 C ATOM 0 H ALA A 27 -8.644 1.339 5.031 1.00 0.40 H new ATOM 0 HA ALA A 27 -8.848 3.992 4.083 1.00 0.44 H new ATOM 0 HB1 ALA A 27 -10.233 2.966 2.326 1.00 0.47 H new ATOM 0 HB2 ALA A 27 -8.753 2.026 2.629 1.00 0.47 H new ATOM 0 HB3 ALA A 27 -10.313 1.461 3.272 1.00 0.47 H new ATOM 382 N LYS A 28 -11.455 2.767 5.664 1.00 0.48 N ATOM 383 CA LYS A 28 -12.716 3.112 6.314 1.00 0.56 C ATOM 384 C LYS A 28 -12.516 4.185 7.384 1.00 0.62 C ATOM 385 O LYS A 28 -13.296 5.131 7.477 1.00 0.73 O ATOM 386 CB LYS A 28 -13.345 1.868 6.952 1.00 0.58 C ATOM 387 CG LYS A 28 -13.796 0.824 5.946 1.00 1.02 C ATOM 388 CD LYS A 28 -14.254 -0.452 6.631 1.00 1.11 C ATOM 389 CE LYS A 28 -14.757 -1.465 5.619 1.00 1.31 C ATOM 390 NZ LYS A 28 -15.048 -2.785 6.236 1.00 2.06 N ATOM 0 H LYS A 28 -11.139 1.814 5.846 1.00 0.48 H new ATOM 0 HA LYS A 28 -13.383 3.507 5.548 1.00 0.56 H new ATOM 0 HB2 LYS A 28 -12.623 1.416 7.632 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -14.201 2.173 7.553 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -14.610 1.227 5.343 1.00 1.02 H new ATOM 0 HG3 LYS A 28 -12.977 0.597 5.264 1.00 1.02 H new ATOM 0 HD2 LYS A 28 -13.428 -0.880 7.199 1.00 1.11 H new ATOM 0 HD3 LYS A 28 -15.046 -0.222 7.344 1.00 1.11 H new ATOM 0 HE2 LYS A 28 -15.660 -1.082 5.144 1.00 1.31 H new ATOM 0 HE3 LYS A 28 -14.012 -1.590 4.833 1.00 1.31 H new ATOM 0 HZ1 LYS A 28 -15.388 -3.442 5.505 1.00 2.06 H new ATOM 0 HZ2 LYS A 28 -14.181 -3.165 6.667 1.00 2.06 H new ATOM 0 HZ3 LYS A 28 -15.778 -2.673 6.968 1.00 2.06 H new ATOM 396 N MET A 29 -11.517 3.987 8.237 1.00 0.60 N ATOM 397 CA MET A 29 -11.274 4.897 9.354 1.00 0.73 C ATOM 398 C MET A 29 -10.676 6.222 8.878 1.00 0.75 C ATOM 399 O MET A 29 -10.956 7.277 9.449 1.00 1.07 O ATOM 400 CB MET A 29 -10.363 4.246 10.406 1.00 1.26 C ATOM 401 CG MET A 29 -8.942 3.981 9.931 1.00 1.48 C ATOM 402 SD MET A 29 -7.922 3.178 11.185 1.00 2.39 S ATOM 403 CE MET A 29 -7.952 4.410 12.488 1.00 3.09 C ATOM 0 H MET A 29 -10.863 3.207 8.178 1.00 0.60 H new ATOM 0 HA MET A 29 -12.238 5.110 9.815 1.00 0.73 H new ATOM 0 HB2 MET A 29 -10.325 4.890 11.284 1.00 1.26 H new ATOM 0 HB3 MET A 29 -10.809 3.303 10.721 1.00 1.26 H new ATOM 0 HG2 MET A 29 -8.973 3.355 9.039 1.00 1.48 H new ATOM 0 HG3 MET A 29 -8.479 4.924 9.642 1.00 1.48 H new ATOM 0 HE1 MET A 29 -7.134 4.224 13.183 1.00 3.09 H new ATOM 0 HE2 MET A 29 -7.840 5.403 12.053 1.00 3.09 H new ATOM 0 HE3 MET A 29 -8.901 4.353 13.021 1.00 3.09 H new ATOM 409 N GLY A 30 -9.831 6.159 7.855 1.00 0.77 N ATOM 410 CA GLY A 30 -9.169 7.349 7.359 1.00 1.31 C ATOM 411 C GLY A 30 -7.922 7.683 8.154 1.00 0.87 C ATOM 412 O GLY A 30 -7.898 7.536 9.377 1.00 1.43 O ATOM 0 H GLY A 30 -9.592 5.300 7.359 1.00 0.77 H new ATOM 0 HA2 GLY A 30 -8.903 7.205 6.312 1.00 1.31 H new ATOM 0 HA3 GLY A 30 -9.860 8.191 7.399 1.00 1.31 H new ATOM 416 N GLY A 31 -6.876 8.112 7.465 1.00 0.71 N ATOM 417 CA GLY A 31 -5.646 8.470 8.141 1.00 1.01 C ATOM 418 C GLY A 31 -4.417 8.161 7.314 1.00 1.00 C ATOM 419 O GLY A 31 -3.463 8.940 7.292 1.00 1.67 O ATOM 0 H GLY A 31 -6.856 8.219 6.451 1.00 0.71 H new ATOM 0 HA2 GLY A 31 -5.662 9.534 8.378 1.00 1.01 H new ATOM 0 HA3 GLY A 31 -5.587 7.934 9.088 1.00 1.01 H new ATOM 423 N ALA A 32 -4.430 7.001 6.668 1.00 0.55 N ATOM 424 CA ALA A 32 -3.300 6.548 5.868 1.00 0.47 C ATOM 425 C ALA A 32 -3.005 7.515 4.728 1.00 0.42 C ATOM 426 O ALA A 32 -3.920 8.026 4.083 1.00 0.45 O ATOM 427 CB ALA A 32 -3.567 5.151 5.323 1.00 0.45 C ATOM 0 H ALA A 32 -5.218 6.353 6.684 1.00 0.55 H new ATOM 0 HA ALA A 32 -2.422 6.515 6.513 1.00 0.47 H new ATOM 0 HB1 ALA A 32 -2.715 4.824 4.727 1.00 0.45 H new ATOM 0 HB2 ALA A 32 -3.717 4.459 6.152 1.00 0.45 H new ATOM 0 HB3 ALA A 32 -4.461 5.168 4.699 1.00 0.45 H new ATOM 433 N LYS A 33 -1.726 7.779 4.506 1.00 0.43 N ATOM 434 CA LYS A 33 -1.302 8.680 3.444 1.00 0.45 C ATOM 435 C LYS A 33 -1.508 8.034 2.077 1.00 0.40 C ATOM 436 O LYS A 33 -1.921 8.691 1.127 1.00 0.43 O ATOM 437 CB LYS A 33 0.175 9.055 3.613 1.00 0.54 C ATOM 438 CG LYS A 33 0.489 9.807 4.901 1.00 1.19 C ATOM 439 CD LYS A 33 -0.213 11.154 4.955 1.00 1.27 C ATOM 440 CE LYS A 33 0.762 12.286 5.249 1.00 1.41 C ATOM 441 NZ LYS A 33 1.367 12.182 6.606 1.00 1.85 N ATOM 0 H LYS A 33 -0.961 7.380 5.050 1.00 0.43 H new ATOM 0 HA LYS A 33 -1.910 9.583 3.508 1.00 0.45 H new ATOM 0 HB2 LYS A 33 0.774 8.145 3.582 1.00 0.54 H new ATOM 0 HB3 LYS A 33 0.481 9.667 2.765 1.00 0.54 H new ATOM 0 HG2 LYS A 33 0.185 9.204 5.757 1.00 1.19 H new ATOM 0 HG3 LYS A 33 1.566 9.955 4.982 1.00 1.19 H new ATOM 0 HD2 LYS A 33 -0.713 11.342 4.005 1.00 1.27 H new ATOM 0 HD3 LYS A 33 -0.986 11.131 5.723 1.00 1.27 H new ATOM 0 HE2 LYS A 33 1.554 12.282 4.501 1.00 1.41 H new ATOM 0 HE3 LYS A 33 0.243 13.240 5.159 1.00 1.41 H new ATOM 0 HZ1 LYS A 33 1.915 13.042 6.809 1.00 1.85 H new ATOM 0 HZ2 LYS A 33 0.613 12.077 7.315 1.00 1.85 H new ATOM 0 HZ3 LYS A 33 1.996 11.354 6.643 1.00 1.85 H new ATOM 447 N LEU A 34 -1.131 6.767 1.971 1.00 0.36 N ATOM 448 CA LEU A 34 -1.207 6.039 0.713 1.00 0.34 C ATOM 449 C LEU A 34 -1.607 4.590 0.972 1.00 0.32 C ATOM 450 O LEU A 34 -1.283 4.041 2.015 1.00 0.49 O ATOM 451 CB LEU A 34 0.158 6.090 0.013 1.00 0.40 C ATOM 452 CG LEU A 34 0.237 5.407 -1.355 1.00 0.51 C ATOM 453 CD1 LEU A 34 -0.561 6.183 -2.389 1.00 1.06 C ATOM 454 CD2 LEU A 34 1.685 5.268 -1.796 1.00 0.99 C ATOM 0 H LEU A 34 -0.766 6.218 2.750 1.00 0.36 H new ATOM 0 HA LEU A 34 -1.959 6.500 0.073 1.00 0.34 H new ATOM 0 HB2 LEU A 34 0.443 7.135 -0.108 1.00 0.40 H new ATOM 0 HB3 LEU A 34 0.898 5.631 0.669 1.00 0.40 H new ATOM 0 HG LEU A 34 -0.196 4.411 -1.266 1.00 0.51 H new ATOM 0 HD11 LEU A 34 -0.492 5.681 -3.354 1.00 1.06 H new ATOM 0 HD12 LEU A 34 -1.605 6.233 -2.080 1.00 1.06 H new ATOM 0 HD13 LEU A 34 -0.159 7.193 -2.476 1.00 1.06 H new ATOM 0 HD21 LEU A 34 1.723 4.781 -2.770 1.00 0.99 H new ATOM 0 HD22 LEU A 34 2.140 6.256 -1.866 1.00 0.99 H new ATOM 0 HD23 LEU A 34 2.231 4.668 -1.068 1.00 0.99 H new ATOM 464 N ILE A 35 -2.242 3.946 0.007 1.00 0.26 N ATOM 465 CA ILE A 35 -2.523 2.518 0.115 1.00 0.23 C ATOM 466 C ILE A 35 -2.049 1.809 -1.145 1.00 0.24 C ATOM 467 O ILE A 35 -2.396 2.210 -2.250 1.00 0.31 O ATOM 468 CB ILE A 35 -4.026 2.228 0.335 1.00 0.25 C ATOM 469 CG1 ILE A 35 -4.503 2.849 1.650 1.00 0.25 C ATOM 470 CG2 ILE A 35 -4.285 0.724 0.334 1.00 0.26 C ATOM 471 CD1 ILE A 35 -5.981 2.660 1.917 1.00 0.30 C ATOM 0 H ILE A 35 -2.572 4.382 -0.854 1.00 0.26 H new ATOM 0 HA ILE A 35 -1.986 2.145 0.987 1.00 0.23 H new ATOM 0 HB ILE A 35 -4.587 2.677 -0.485 1.00 0.25 H new ATOM 0 HG12 ILE A 35 -3.936 2.413 2.473 1.00 0.25 H new ATOM 0 HG13 ILE A 35 -4.279 3.916 1.639 1.00 0.25 H new ATOM 0 HG21 ILE A 35 -5.348 0.538 0.490 1.00 0.26 H new ATOM 0 HG22 ILE A 35 -3.980 0.303 -0.624 1.00 0.26 H new ATOM 0 HG23 ILE A 35 -3.713 0.256 1.135 1.00 0.26 H new ATOM 0 HD11 ILE A 35 -6.242 3.127 2.867 1.00 0.30 H new ATOM 0 HD12 ILE A 35 -6.557 3.121 1.115 1.00 0.30 H new ATOM 0 HD13 ILE A 35 -6.209 1.595 1.962 1.00 0.30 H new ATOM 481 N ILE A 36 -1.217 0.790 -0.982 1.00 0.22 N ATOM 482 CA ILE A 36 -0.668 0.066 -2.122 1.00 0.25 C ATOM 483 C ILE A 36 -1.308 -1.313 -2.249 1.00 0.24 C ATOM 484 O ILE A 36 -1.356 -2.076 -1.283 1.00 0.25 O ATOM 485 CB ILE A 36 0.869 -0.077 -2.015 1.00 0.29 C ATOM 486 CG1 ILE A 36 1.526 1.307 -1.963 1.00 0.32 C ATOM 487 CG2 ILE A 36 1.416 -0.885 -3.187 1.00 0.34 C ATOM 488 CD1 ILE A 36 3.030 1.263 -1.786 1.00 0.40 C ATOM 0 H ILE A 36 -0.907 0.446 -0.073 1.00 0.22 H new ATOM 0 HA ILE A 36 -0.897 0.647 -3.015 1.00 0.25 H new ATOM 0 HB ILE A 36 1.105 -0.610 -1.094 1.00 0.29 H new ATOM 0 HG12 ILE A 36 1.293 1.844 -2.882 1.00 0.32 H new ATOM 0 HG13 ILE A 36 1.089 1.876 -1.142 1.00 0.32 H new ATOM 0 HG21 ILE A 36 2.498 -0.974 -3.094 1.00 0.34 H new ATOM 0 HG22 ILE A 36 0.968 -1.879 -3.184 1.00 0.34 H new ATOM 0 HG23 ILE A 36 1.173 -0.380 -4.122 1.00 0.34 H new ATOM 0 HD11 ILE A 36 3.423 2.279 -1.758 1.00 0.40 H new ATOM 0 HD12 ILE A 36 3.272 0.755 -0.852 1.00 0.40 H new ATOM 0 HD13 ILE A 36 3.479 0.723 -2.620 1.00 0.40 H new ATOM 498 N VAL A 37 -1.800 -1.624 -3.443 1.00 0.25 N ATOM 499 CA VAL A 37 -2.438 -2.911 -3.700 1.00 0.25 C ATOM 500 C VAL A 37 -1.770 -3.628 -4.870 1.00 0.23 C ATOM 501 O VAL A 37 -1.484 -3.020 -5.900 1.00 0.26 O ATOM 502 CB VAL A 37 -3.949 -2.754 -3.994 1.00 0.31 C ATOM 503 CG1 VAL A 37 -4.681 -2.231 -2.770 1.00 0.34 C ATOM 504 CG2 VAL A 37 -4.185 -1.832 -5.184 1.00 0.31 C ATOM 0 H VAL A 37 -1.769 -1.001 -4.250 1.00 0.25 H new ATOM 0 HA VAL A 37 -2.320 -3.507 -2.795 1.00 0.25 H new ATOM 0 HB VAL A 37 -4.344 -3.739 -4.244 1.00 0.31 H new ATOM 0 HG11 VAL A 37 -5.742 -2.128 -2.997 1.00 0.34 H new ATOM 0 HG12 VAL A 37 -4.553 -2.930 -1.943 1.00 0.34 H new ATOM 0 HG13 VAL A 37 -4.274 -1.260 -2.490 1.00 0.34 H new ATOM 0 HG21 VAL A 37 -5.256 -1.741 -5.367 1.00 0.31 H new ATOM 0 HG22 VAL A 37 -3.768 -0.848 -4.970 1.00 0.31 H new ATOM 0 HG23 VAL A 37 -3.700 -2.247 -6.068 1.00 0.31 H new ATOM 514 N ALA A 38 -1.507 -4.916 -4.704 1.00 0.20 N ATOM 515 CA ALA A 38 -0.879 -5.709 -5.756 1.00 0.21 C ATOM 516 C ALA A 38 -1.844 -5.939 -6.916 1.00 0.27 C ATOM 517 O ALA A 38 -3.062 -5.894 -6.744 1.00 0.33 O ATOM 518 CB ALA A 38 -0.383 -7.034 -5.200 1.00 0.26 C ATOM 0 H ALA A 38 -1.718 -5.436 -3.852 1.00 0.20 H new ATOM 0 HA ALA A 38 -0.023 -5.152 -6.136 1.00 0.21 H new ATOM 0 HB1 ALA A 38 0.082 -7.612 -5.998 1.00 0.26 H new ATOM 0 HB2 ALA A 38 0.348 -6.848 -4.413 1.00 0.26 H new ATOM 0 HB3 ALA A 38 -1.223 -7.594 -4.789 1.00 0.26 H new ATOM 524 N ARG A 39 -1.298 -6.137 -8.108 1.00 0.41 N ATOM 525 CA ARG A 39 -2.116 -6.333 -9.300 1.00 0.56 C ATOM 526 C ARG A 39 -2.922 -7.624 -9.217 1.00 0.54 C ATOM 527 O ARG A 39 -4.093 -7.653 -9.584 1.00 0.60 O ATOM 528 CB ARG A 39 -1.239 -6.340 -10.549 1.00 0.77 C ATOM 529 CG ARG A 39 -0.659 -4.979 -10.881 1.00 0.96 C ATOM 530 CD ARG A 39 -1.701 -4.054 -11.504 1.00 1.49 C ATOM 531 NE ARG A 39 -1.223 -2.671 -11.614 1.00 2.48 N ATOM 532 CZ ARG A 39 -0.109 -2.303 -12.261 1.00 3.10 C ATOM 533 NH1 ARG A 39 0.580 -3.186 -12.978 1.00 3.10 N ATOM 534 NH2 ARG A 39 0.301 -1.043 -12.225 1.00 4.14 N ATOM 0 H ARG A 39 -0.292 -6.166 -8.277 1.00 0.41 H new ATOM 0 HA ARG A 39 -2.819 -5.502 -9.362 1.00 0.56 H new ATOM 0 HB2 ARG A 39 -0.424 -7.050 -10.409 1.00 0.77 H new ATOM 0 HB3 ARG A 39 -1.827 -6.693 -11.396 1.00 0.77 H new ATOM 0 HG2 ARG A 39 -0.263 -4.522 -9.974 1.00 0.96 H new ATOM 0 HG3 ARG A 39 0.178 -5.099 -11.569 1.00 0.96 H new ATOM 0 HD2 ARG A 39 -1.967 -4.424 -12.494 1.00 1.49 H new ATOM 0 HD3 ARG A 39 -2.609 -4.075 -10.902 1.00 1.49 H new ATOM 0 HE ARG A 39 -1.777 -1.940 -11.167 1.00 2.48 H new ATOM 0 HH11 ARG A 39 0.262 -4.153 -13.039 1.00 3.10 H new ATOM 0 HH12 ARG A 39 1.427 -2.896 -13.467 1.00 3.10 H new ATOM 0 HH21 ARG A 39 -0.232 -0.348 -11.703 1.00 4.14 H new ATOM 0 HH22 ARG A 39 1.150 -0.769 -12.719 1.00 4.14 H new ATOM 542 N ASN A 40 -2.300 -8.684 -8.717 1.00 0.55 N ATOM 543 CA ASN A 40 -2.969 -9.980 -8.602 1.00 0.64 C ATOM 544 C ASN A 40 -3.830 -10.056 -7.340 1.00 0.58 C ATOM 545 O ASN A 40 -4.245 -11.138 -6.929 1.00 0.87 O ATOM 546 CB ASN A 40 -1.933 -11.111 -8.592 1.00 0.81 C ATOM 547 CG ASN A 40 -1.138 -11.166 -7.303 1.00 1.57 C ATOM 548 OD1 ASN A 40 -0.626 -10.152 -6.832 1.00 2.18 O ATOM 549 ND2 ASN A 40 -1.007 -12.353 -6.734 1.00 2.33 N ATOM 0 H ASN A 40 -1.336 -8.675 -8.385 1.00 0.55 H new ATOM 0 HA ASN A 40 -3.623 -10.093 -9.466 1.00 0.64 H new ATOM 0 HB2 ASN A 40 -2.440 -12.064 -8.742 1.00 0.81 H new ATOM 0 HB3 ASN A 40 -1.249 -10.979 -9.430 1.00 0.81 H new ATOM 0 HD21 ASN A 40 -0.466 -12.450 -5.875 1.00 2.33 H new ATOM 0 HD22 ASN A 40 -1.447 -13.172 -7.155 1.00 2.33 H new ATOM 554 N ALA A 41 -4.118 -8.904 -6.748 1.00 0.46 N ATOM 555 CA ALA A 41 -4.956 -8.849 -5.559 1.00 0.43 C ATOM 556 C ALA A 41 -6.417 -9.070 -5.916 1.00 0.40 C ATOM 557 O ALA A 41 -6.858 -8.706 -7.009 1.00 0.44 O ATOM 558 CB ALA A 41 -4.784 -7.521 -4.838 1.00 0.47 C ATOM 0 H ALA A 41 -3.784 -7.996 -7.072 1.00 0.46 H new ATOM 0 HA ALA A 41 -4.640 -9.649 -4.889 1.00 0.43 H new ATOM 0 HB1 ALA A 41 -5.420 -7.503 -3.953 1.00 0.47 H new ATOM 0 HB2 ALA A 41 -3.743 -7.401 -4.539 1.00 0.47 H new ATOM 0 HB3 ALA A 41 -5.066 -6.706 -5.504 1.00 0.47 H new ATOM 564 N ARG A 42 -7.152 -9.682 -5.000 1.00 0.40 N ATOM 565 CA ARG A 42 -8.568 -9.953 -5.198 1.00 0.43 C ATOM 566 C ARG A 42 -9.338 -8.666 -5.496 1.00 0.44 C ATOM 567 O ARG A 42 -9.122 -7.635 -4.853 1.00 0.42 O ATOM 568 CB ARG A 42 -9.145 -10.648 -3.964 1.00 0.50 C ATOM 569 CG ARG A 42 -8.799 -12.126 -3.891 1.00 0.61 C ATOM 570 CD ARG A 42 -9.486 -12.902 -5.005 1.00 1.23 C ATOM 571 NE ARG A 42 -10.936 -12.964 -4.812 1.00 2.10 N ATOM 572 CZ ARG A 42 -11.543 -13.772 -3.941 1.00 2.98 C ATOM 573 NH1 ARG A 42 -10.858 -14.713 -3.306 1.00 3.25 N ATOM 574 NH2 ARG A 42 -12.847 -13.661 -3.738 1.00 3.98 N ATOM 0 H ARG A 42 -6.787 -10.003 -4.103 1.00 0.40 H new ATOM 0 HA ARG A 42 -8.674 -10.613 -6.059 1.00 0.43 H new ATOM 0 HB2 ARG A 42 -8.774 -10.150 -3.068 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -10.229 -10.535 -3.965 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -7.719 -12.255 -3.966 1.00 0.61 H new ATOM 0 HG3 ARG A 42 -9.102 -12.527 -2.924 1.00 0.61 H new ATOM 0 HD2 ARG A 42 -9.267 -12.432 -5.964 1.00 1.23 H new ATOM 0 HD3 ARG A 42 -9.081 -13.913 -5.046 1.00 1.23 H new ATOM 0 HE ARG A 42 -11.520 -12.350 -5.380 1.00 2.10 H new ATOM 0 HH11 ARG A 42 -9.859 -14.823 -3.482 1.00 3.25 H new ATOM 0 HH12 ARG A 42 -11.330 -15.327 -2.642 1.00 3.25 H new ATOM 0 HH21 ARG A 42 -13.384 -12.959 -4.247 1.00 3.98 H new ATOM 0 HH22 ARG A 42 -13.314 -14.277 -3.073 1.00 3.98 H new ATOM 582 N PRO A 43 -10.198 -8.698 -6.526 1.00 0.50 N ATOM 583 CA PRO A 43 -10.956 -7.524 -6.972 1.00 0.58 C ATOM 584 C PRO A 43 -11.830 -6.939 -5.868 1.00 0.60 C ATOM 585 O PRO A 43 -11.901 -5.723 -5.710 1.00 0.64 O ATOM 586 CB PRO A 43 -11.819 -8.062 -8.115 1.00 0.67 C ATOM 587 CG PRO A 43 -11.098 -9.271 -8.597 1.00 0.86 C ATOM 588 CD PRO A 43 -10.450 -9.870 -7.385 1.00 0.55 C ATOM 0 HA PRO A 43 -10.297 -6.708 -7.270 1.00 0.58 H new ATOM 0 HB2 PRO A 43 -12.823 -8.311 -7.770 1.00 0.67 H new ATOM 0 HB3 PRO A 43 -11.929 -7.324 -8.909 1.00 0.67 H new ATOM 0 HG2 PRO A 43 -11.786 -9.977 -9.062 1.00 0.86 H new ATOM 0 HG3 PRO A 43 -10.354 -9.009 -9.349 1.00 0.86 H new ATOM 0 HD2 PRO A 43 -11.101 -10.595 -6.897 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -9.526 -10.391 -7.638 1.00 0.55 H new ATOM 590 N ASP A 44 -12.423 -7.813 -5.059 1.00 0.61 N ATOM 591 CA ASP A 44 -13.237 -7.386 -3.924 1.00 0.68 C ATOM 592 C ASP A 44 -12.414 -6.551 -2.949 1.00 0.60 C ATOM 593 O ASP A 44 -12.886 -5.537 -2.433 1.00 0.65 O ATOM 594 CB ASP A 44 -13.847 -8.596 -3.204 1.00 0.77 C ATOM 595 CG ASP A 44 -12.821 -9.636 -2.794 1.00 1.62 C ATOM 596 OD1 ASP A 44 -12.176 -10.232 -3.686 1.00 2.48 O ATOM 597 OD2 ASP A 44 -12.645 -9.846 -1.573 1.00 2.04 O ATOM 0 H ASP A 44 -12.355 -8.825 -5.169 1.00 0.61 H new ATOM 0 HA ASP A 44 -14.048 -6.768 -4.308 1.00 0.68 H new ATOM 0 HB2 ASP A 44 -14.378 -8.251 -2.317 1.00 0.77 H new ATOM 0 HB3 ASP A 44 -14.585 -9.063 -3.856 1.00 0.77 H new ATOM 600 N ILE A 45 -11.158 -6.939 -2.768 1.00 0.50 N ATOM 601 CA ILE A 45 -10.239 -6.198 -1.916 1.00 0.44 C ATOM 602 C ILE A 45 -9.961 -4.815 -2.500 1.00 0.40 C ATOM 603 O ILE A 45 -10.048 -3.806 -1.800 1.00 0.38 O ATOM 604 CB ILE A 45 -8.904 -6.958 -1.739 1.00 0.45 C ATOM 605 CG1 ILE A 45 -9.143 -8.312 -1.062 1.00 0.54 C ATOM 606 CG2 ILE A 45 -7.908 -6.129 -0.941 1.00 0.42 C ATOM 607 CD1 ILE A 45 -9.759 -8.205 0.316 1.00 0.62 C ATOM 0 H ILE A 45 -10.752 -7.767 -3.203 1.00 0.50 H new ATOM 0 HA ILE A 45 -10.713 -6.090 -0.940 1.00 0.44 H new ATOM 0 HB ILE A 45 -8.481 -7.135 -2.728 1.00 0.45 H new ATOM 0 HG12 ILE A 45 -9.794 -8.914 -1.695 1.00 0.54 H new ATOM 0 HG13 ILE A 45 -8.194 -8.842 -0.985 1.00 0.54 H new ATOM 0 HG21 ILE A 45 -6.977 -6.686 -0.830 1.00 0.42 H new ATOM 0 HG22 ILE A 45 -7.711 -5.193 -1.465 1.00 0.42 H new ATOM 0 HG23 ILE A 45 -8.321 -5.913 0.044 1.00 0.42 H new ATOM 0 HD11 ILE A 45 -9.898 -9.203 0.731 1.00 0.62 H new ATOM 0 HD12 ILE A 45 -9.099 -7.630 0.966 1.00 0.62 H new ATOM 0 HD13 ILE A 45 -10.724 -7.704 0.245 1.00 0.62 H new ATOM 617 N LYS A 46 -9.668 -4.776 -3.796 1.00 0.45 N ATOM 618 CA LYS A 46 -9.391 -3.521 -4.486 1.00 0.50 C ATOM 619 C LYS A 46 -10.587 -2.581 -4.425 1.00 0.52 C ATOM 620 O LYS A 46 -10.439 -1.402 -4.115 1.00 0.51 O ATOM 621 CB LYS A 46 -9.037 -3.775 -5.950 1.00 0.58 C ATOM 622 CG LYS A 46 -7.798 -4.621 -6.157 1.00 0.59 C ATOM 623 CD LYS A 46 -7.503 -4.784 -7.637 1.00 0.74 C ATOM 624 CE LYS A 46 -6.253 -5.609 -7.872 1.00 1.09 C ATOM 625 NZ LYS A 46 -5.931 -5.712 -9.317 1.00 1.59 N ATOM 0 H LYS A 46 -9.616 -5.603 -4.391 1.00 0.45 H new ATOM 0 HA LYS A 46 -8.545 -3.056 -3.980 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -9.881 -4.264 -6.436 1.00 0.58 H new ATOM 0 HB3 LYS A 46 -8.895 -2.816 -6.448 1.00 0.58 H new ATOM 0 HG2 LYS A 46 -6.947 -4.156 -5.660 1.00 0.59 H new ATOM 0 HG3 LYS A 46 -7.939 -5.600 -5.699 1.00 0.59 H new ATOM 0 HD2 LYS A 46 -8.352 -5.262 -8.127 1.00 0.74 H new ATOM 0 HD3 LYS A 46 -7.382 -3.802 -8.094 1.00 0.74 H new ATOM 0 HE2 LYS A 46 -5.414 -5.158 -7.343 1.00 1.09 H new ATOM 0 HE3 LYS A 46 -6.392 -6.607 -7.457 1.00 1.09 H new ATOM 0 HZ1 LYS A 46 -5.480 -6.630 -9.508 1.00 1.59 H new ATOM 0 HZ2 LYS A 46 -6.806 -5.634 -9.874 1.00 1.59 H new ATOM 0 HZ3 LYS A 46 -5.281 -4.945 -9.583 1.00 1.59 H new ATOM 631 N GLU A 47 -11.758 -3.103 -4.768 1.00 0.59 N ATOM 632 CA GLU A 47 -12.971 -2.301 -4.812 1.00 0.65 C ATOM 633 C GLU A 47 -13.283 -1.686 -3.455 1.00 0.55 C ATOM 634 O GLU A 47 -13.567 -0.493 -3.367 1.00 0.55 O ATOM 635 CB GLU A 47 -14.152 -3.140 -5.292 1.00 0.79 C ATOM 636 CG GLU A 47 -14.008 -3.628 -6.723 1.00 1.15 C ATOM 637 CD GLU A 47 -13.778 -2.497 -7.702 1.00 1.76 C ATOM 638 OE1 GLU A 47 -14.636 -1.595 -7.787 1.00 2.60 O ATOM 639 OE2 GLU A 47 -12.732 -2.499 -8.389 1.00 2.06 O ATOM 0 H GLU A 47 -11.892 -4.082 -5.020 1.00 0.59 H new ATOM 0 HA GLU A 47 -12.802 -1.489 -5.519 1.00 0.65 H new ATOM 0 HB2 GLU A 47 -14.267 -4.001 -4.633 1.00 0.79 H new ATOM 0 HB3 GLU A 47 -15.064 -2.550 -5.208 1.00 0.79 H new ATOM 0 HG2 GLU A 47 -13.176 -4.330 -6.782 1.00 1.15 H new ATOM 0 HG3 GLU A 47 -14.907 -4.174 -7.009 1.00 1.15 H new ATOM 642 N ASP A 48 -13.199 -2.488 -2.399 1.00 0.50 N ATOM 643 CA ASP A 48 -13.453 -1.989 -1.050 1.00 0.47 C ATOM 644 C ASP A 48 -12.428 -0.934 -0.662 1.00 0.35 C ATOM 645 O ASP A 48 -12.788 0.157 -0.213 1.00 0.36 O ATOM 646 CB ASP A 48 -13.439 -3.128 -0.024 1.00 0.55 C ATOM 647 CG ASP A 48 -14.780 -3.826 0.108 1.00 0.62 C ATOM 648 OD1 ASP A 48 -15.719 -3.479 -0.640 1.00 1.21 O ATOM 649 OD2 ASP A 48 -14.907 -4.723 0.971 1.00 1.00 O ATOM 0 H ASP A 48 -12.959 -3.478 -2.448 1.00 0.50 H new ATOM 0 HA ASP A 48 -14.445 -1.536 -1.051 1.00 0.47 H new ATOM 0 HB2 ASP A 48 -12.683 -3.858 -0.311 1.00 0.55 H new ATOM 0 HB3 ASP A 48 -13.146 -2.730 0.948 1.00 0.55 H new ATOM 652 N ILE A 49 -11.153 -1.243 -0.878 1.00 0.29 N ATOM 653 CA ILE A 49 -10.079 -0.313 -0.557 1.00 0.24 C ATOM 654 C ILE A 49 -10.251 1.004 -1.301 1.00 0.26 C ATOM 655 O ILE A 49 -10.276 2.063 -0.684 1.00 0.26 O ATOM 656 CB ILE A 49 -8.684 -0.905 -0.879 1.00 0.24 C ATOM 657 CG1 ILE A 49 -8.345 -2.023 0.109 1.00 0.30 C ATOM 658 CG2 ILE A 49 -7.612 0.180 -0.846 1.00 0.35 C ATOM 659 CD1 ILE A 49 -7.010 -2.689 -0.150 1.00 0.36 C ATOM 0 H ILE A 49 -10.840 -2.130 -1.274 1.00 0.29 H new ATOM 0 HA ILE A 49 -10.138 -0.131 0.516 1.00 0.24 H new ATOM 0 HB ILE A 49 -8.711 -1.322 -1.886 1.00 0.24 H new ATOM 0 HG12 ILE A 49 -8.345 -1.614 1.119 1.00 0.30 H new ATOM 0 HG13 ILE A 49 -9.130 -2.778 0.071 1.00 0.30 H new ATOM 0 HG21 ILE A 49 -6.642 -0.260 -1.075 1.00 0.35 H new ATOM 0 HG22 ILE A 49 -7.847 0.946 -1.585 1.00 0.35 H new ATOM 0 HG23 ILE A 49 -7.581 0.631 0.146 1.00 0.35 H new ATOM 0 HD11 ILE A 49 -6.843 -3.470 0.592 1.00 0.36 H new ATOM 0 HD12 ILE A 49 -7.011 -3.130 -1.147 1.00 0.36 H new ATOM 0 HD13 ILE A 49 -6.214 -1.947 -0.082 1.00 0.36 H new ATOM 669 N GLU A 50 -10.381 0.934 -2.619 1.00 0.31 N ATOM 670 CA GLU A 50 -10.507 2.134 -3.440 1.00 0.39 C ATOM 671 C GLU A 50 -11.753 2.939 -3.088 1.00 0.43 C ATOM 672 O GLU A 50 -11.703 4.165 -3.023 1.00 0.48 O ATOM 673 CB GLU A 50 -10.533 1.778 -4.928 1.00 0.46 C ATOM 674 CG GLU A 50 -9.204 1.270 -5.464 1.00 0.61 C ATOM 675 CD GLU A 50 -9.237 1.034 -6.960 1.00 1.15 C ATOM 676 OE1 GLU A 50 -10.316 1.218 -7.572 1.00 1.67 O ATOM 677 OE2 GLU A 50 -8.191 0.671 -7.536 1.00 1.57 O ATOM 0 H GLU A 50 -10.402 0.060 -3.144 1.00 0.31 H new ATOM 0 HA GLU A 50 -9.632 2.750 -3.231 1.00 0.39 H new ATOM 0 HB2 GLU A 50 -11.296 1.018 -5.096 1.00 0.46 H new ATOM 0 HB3 GLU A 50 -10.830 2.659 -5.497 1.00 0.46 H new ATOM 0 HG2 GLU A 50 -8.421 1.992 -5.230 1.00 0.61 H new ATOM 0 HG3 GLU A 50 -8.943 0.341 -4.958 1.00 0.61 H new ATOM 680 N TYR A 51 -12.867 2.252 -2.865 1.00 0.44 N ATOM 681 CA TYR A 51 -14.125 2.924 -2.569 1.00 0.52 C ATOM 682 C TYR A 51 -14.016 3.726 -1.280 1.00 0.47 C ATOM 683 O TYR A 51 -14.339 4.914 -1.246 1.00 0.51 O ATOM 684 CB TYR A 51 -15.265 1.905 -2.453 1.00 0.61 C ATOM 685 CG TYR A 51 -16.595 2.510 -2.060 1.00 0.70 C ATOM 686 CD1 TYR A 51 -17.191 3.495 -2.836 1.00 0.78 C ATOM 687 CD2 TYR A 51 -17.252 2.092 -0.911 1.00 0.77 C ATOM 688 CE1 TYR A 51 -18.404 4.049 -2.474 1.00 0.88 C ATOM 689 CE2 TYR A 51 -18.463 2.640 -0.543 1.00 0.87 C ATOM 690 CZ TYR A 51 -19.036 3.618 -1.327 1.00 0.91 C ATOM 691 OH TYR A 51 -20.246 4.164 -0.962 1.00 1.03 O ATOM 0 H TYR A 51 -12.924 1.234 -2.883 1.00 0.44 H new ATOM 0 HA TYR A 51 -14.344 3.607 -3.390 1.00 0.52 H new ATOM 0 HB2 TYR A 51 -15.379 1.393 -3.408 1.00 0.61 H new ATOM 0 HB3 TYR A 51 -14.990 1.150 -1.717 1.00 0.61 H new ATOM 0 HD1 TYR A 51 -16.699 3.833 -3.736 1.00 0.78 H new ATOM 0 HD2 TYR A 51 -16.807 1.325 -0.295 1.00 0.77 H new ATOM 0 HE1 TYR A 51 -18.855 4.816 -3.087 1.00 0.88 H new ATOM 0 HE2 TYR A 51 -18.960 2.304 0.355 1.00 0.87 H new ATOM 0 HH TYR A 51 -20.555 3.748 -0.130 1.00 1.03 H new ATOM 699 N TYR A 52 -13.560 3.067 -0.230 1.00 0.43 N ATOM 700 CA TYR A 52 -13.444 3.696 1.074 1.00 0.42 C ATOM 701 C TYR A 52 -12.291 4.696 1.118 1.00 0.38 C ATOM 702 O TYR A 52 -12.421 5.769 1.710 1.00 0.41 O ATOM 703 CB TYR A 52 -13.291 2.632 2.155 1.00 0.47 C ATOM 704 CG TYR A 52 -14.578 1.890 2.444 1.00 0.53 C ATOM 705 CD1 TYR A 52 -14.905 0.736 1.746 1.00 0.81 C ATOM 706 CD2 TYR A 52 -15.456 2.332 3.424 1.00 0.97 C ATOM 707 CE1 TYR A 52 -16.071 0.047 2.015 1.00 0.89 C ATOM 708 CE2 TYR A 52 -16.623 1.648 3.700 1.00 1.09 C ATOM 709 CZ TYR A 52 -16.955 0.545 2.957 1.00 0.84 C ATOM 710 OH TYR A 52 -18.090 -0.173 3.257 1.00 0.97 O ATOM 0 H TYR A 52 -13.263 2.092 -0.255 1.00 0.43 H new ATOM 0 HA TYR A 52 -14.359 4.258 1.263 1.00 0.42 H new ATOM 0 HB2 TYR A 52 -12.528 1.917 1.847 1.00 0.47 H new ATOM 0 HB3 TYR A 52 -12.936 3.103 3.072 1.00 0.47 H new ATOM 0 HD1 TYR A 52 -14.237 0.371 0.980 1.00 0.81 H new ATOM 0 HD2 TYR A 52 -15.222 3.227 3.981 1.00 0.97 H new ATOM 0 HE1 TYR A 52 -16.292 -0.873 1.495 1.00 0.89 H new ATOM 0 HE2 TYR A 52 -17.271 1.980 4.497 1.00 1.09 H new ATOM 0 HH TYR A 52 -18.610 0.305 3.937 1.00 0.97 H new ATOM 718 N ALA A 53 -11.178 4.358 0.478 1.00 0.33 N ATOM 719 CA ALA A 53 -10.022 5.246 0.450 1.00 0.34 C ATOM 720 C ALA A 53 -10.373 6.569 -0.213 1.00 0.39 C ATOM 721 O ALA A 53 -10.084 7.629 0.329 1.00 0.42 O ATOM 722 CB ALA A 53 -8.845 4.598 -0.260 1.00 0.34 C ATOM 0 H ALA A 53 -11.051 3.480 -0.026 1.00 0.33 H new ATOM 0 HA ALA A 53 -9.731 5.439 1.482 1.00 0.34 H new ATOM 0 HB1 ALA A 53 -7.999 5.285 -0.264 1.00 0.34 H new ATOM 0 HB2 ALA A 53 -8.566 3.682 0.260 1.00 0.34 H new ATOM 0 HB3 ALA A 53 -9.125 4.361 -1.287 1.00 0.34 H new ATOM 728 N ARG A 54 -11.060 6.499 -1.350 1.00 0.42 N ATOM 729 CA ARG A 54 -11.489 7.699 -2.068 1.00 0.50 C ATOM 730 C ARG A 54 -12.379 8.581 -1.196 1.00 0.51 C ATOM 731 O ARG A 54 -12.266 9.810 -1.223 1.00 0.55 O ATOM 732 CB ARG A 54 -12.219 7.316 -3.357 1.00 0.57 C ATOM 733 CG ARG A 54 -11.286 6.853 -4.463 1.00 1.11 C ATOM 734 CD ARG A 54 -12.047 6.250 -5.633 1.00 1.37 C ATOM 735 NE ARG A 54 -12.993 7.194 -6.228 1.00 2.13 N ATOM 736 CZ ARG A 54 -13.769 6.903 -7.271 1.00 3.01 C ATOM 737 NH1 ARG A 54 -13.659 5.723 -7.870 1.00 3.33 N ATOM 738 NH2 ARG A 54 -14.626 7.804 -7.735 1.00 4.04 N ATOM 0 H ARG A 54 -11.333 5.623 -1.796 1.00 0.42 H new ATOM 0 HA ARG A 54 -10.598 8.272 -2.323 1.00 0.50 H new ATOM 0 HB2 ARG A 54 -12.934 6.523 -3.139 1.00 0.57 H new ATOM 0 HB3 ARG A 54 -12.792 8.173 -3.710 1.00 0.57 H new ATOM 0 HG2 ARG A 54 -10.692 7.697 -4.813 1.00 1.11 H new ATOM 0 HG3 ARG A 54 -10.589 6.116 -4.065 1.00 1.11 H new ATOM 0 HD2 ARG A 54 -11.338 5.922 -6.393 1.00 1.37 H new ATOM 0 HD3 ARG A 54 -12.585 5.364 -5.295 1.00 1.37 H new ATOM 0 HE ARG A 54 -13.062 8.127 -5.822 1.00 2.13 H new ATOM 0 HH11 ARG A 54 -12.981 5.040 -7.531 1.00 3.33 H new ATOM 0 HH12 ARG A 54 -14.253 5.499 -8.669 1.00 3.33 H new ATOM 0 HH21 ARG A 54 -14.691 8.721 -7.293 1.00 4.04 H new ATOM 0 HH22 ARG A 54 -15.219 7.580 -8.534 1.00 4.04 H new ATOM 746 N LEU A 55 -13.215 7.950 -0.374 1.00 0.50 N ATOM 747 CA LEU A 55 -14.074 8.681 0.556 1.00 0.55 C ATOM 748 C LEU A 55 -13.233 9.461 1.557 1.00 0.55 C ATOM 749 O LEU A 55 -13.455 10.651 1.782 1.00 0.61 O ATOM 750 CB LEU A 55 -14.993 7.716 1.310 1.00 0.61 C ATOM 751 CG LEU A 55 -15.908 6.863 0.437 1.00 0.86 C ATOM 752 CD1 LEU A 55 -16.720 5.908 1.295 1.00 1.31 C ATOM 753 CD2 LEU A 55 -16.826 7.741 -0.396 1.00 1.37 C ATOM 0 H LEU A 55 -13.316 6.936 -0.333 1.00 0.50 H new ATOM 0 HA LEU A 55 -14.682 9.377 -0.023 1.00 0.55 H new ATOM 0 HB2 LEU A 55 -14.376 7.053 1.916 1.00 0.61 H new ATOM 0 HB3 LEU A 55 -15.611 8.293 1.998 1.00 0.61 H new ATOM 0 HG LEU A 55 -15.287 6.277 -0.241 1.00 0.86 H new ATOM 0 HD11 LEU A 55 -17.368 5.307 0.657 1.00 1.31 H new ATOM 0 HD12 LEU A 55 -16.046 5.253 1.848 1.00 1.31 H new ATOM 0 HD13 LEU A 55 -17.329 6.478 1.997 1.00 1.31 H new ATOM 0 HD21 LEU A 55 -17.470 7.113 -1.011 1.00 1.37 H new ATOM 0 HD22 LEU A 55 -17.440 8.354 0.264 1.00 1.37 H new ATOM 0 HD23 LEU A 55 -16.227 8.387 -1.039 1.00 1.37 H new ATOM 763 N SER A 56 -12.258 8.781 2.143 1.00 0.52 N ATOM 764 CA SER A 56 -11.377 9.386 3.134 1.00 0.58 C ATOM 765 C SER A 56 -10.273 10.221 2.473 1.00 0.62 C ATOM 766 O SER A 56 -9.410 10.774 3.155 1.00 1.17 O ATOM 767 CB SER A 56 -10.763 8.290 4.008 1.00 0.56 C ATOM 768 OG SER A 56 -11.773 7.471 4.578 1.00 1.28 O ATOM 0 H SER A 56 -12.055 7.801 1.947 1.00 0.52 H new ATOM 0 HA SER A 56 -11.970 10.059 3.753 1.00 0.58 H new ATOM 0 HB2 SER A 56 -10.088 7.678 3.410 1.00 0.56 H new ATOM 0 HB3 SER A 56 -10.166 8.743 4.800 1.00 0.56 H new ATOM 0 HG SER A 56 -11.483 6.535 4.561 1.00 1.28 H new ATOM 772 N GLY A 57 -10.293 10.285 1.144 1.00 0.48 N ATOM 773 CA GLY A 57 -9.286 11.030 0.413 1.00 0.45 C ATOM 774 C GLY A 57 -7.914 10.392 0.510 1.00 0.35 C ATOM 775 O GLY A 57 -6.898 11.086 0.566 1.00 0.47 O ATOM 0 H GLY A 57 -10.994 9.831 0.559 1.00 0.48 H new ATOM 0 HA2 GLY A 57 -9.578 11.100 -0.635 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -9.239 12.048 0.799 1.00 0.45 H new ATOM 779 N ILE A 58 -7.889 9.070 0.520 1.00 0.36 N ATOM 780 CA ILE A 58 -6.644 8.324 0.579 1.00 0.31 C ATOM 781 C ILE A 58 -6.298 7.768 -0.798 1.00 0.32 C ATOM 782 O ILE A 58 -7.069 7.005 -1.382 1.00 0.33 O ATOM 783 CB ILE A 58 -6.725 7.156 1.587 1.00 0.28 C ATOM 784 CG1 ILE A 58 -7.104 7.672 2.979 1.00 0.30 C ATOM 785 CG2 ILE A 58 -5.401 6.405 1.638 1.00 0.28 C ATOM 786 CD1 ILE A 58 -7.306 6.572 4.003 1.00 0.35 C ATOM 0 H ILE A 58 -8.725 8.487 0.488 1.00 0.36 H new ATOM 0 HA ILE A 58 -5.868 9.014 0.910 1.00 0.31 H new ATOM 0 HB ILE A 58 -7.501 6.466 1.254 1.00 0.28 H new ATOM 0 HG12 ILE A 58 -6.323 8.346 3.332 1.00 0.30 H new ATOM 0 HG13 ILE A 58 -8.020 8.258 2.903 1.00 0.30 H new ATOM 0 HG21 ILE A 58 -5.475 5.585 2.353 1.00 0.28 H new ATOM 0 HG22 ILE A 58 -5.171 6.005 0.650 1.00 0.28 H new ATOM 0 HG23 ILE A 58 -4.608 7.086 1.948 1.00 0.28 H new ATOM 0 HD11 ILE A 58 -7.572 7.013 4.963 1.00 0.35 H new ATOM 0 HD12 ILE A 58 -8.107 5.911 3.673 1.00 0.35 H new ATOM 0 HD13 ILE A 58 -6.384 6.000 4.109 1.00 0.35 H new ATOM 796 N PRO A 59 -5.160 8.184 -1.356 1.00 0.35 N ATOM 797 CA PRO A 59 -4.712 7.742 -2.676 1.00 0.39 C ATOM 798 C PRO A 59 -4.354 6.256 -2.705 1.00 0.36 C ATOM 799 O PRO A 59 -3.615 5.763 -1.846 1.00 0.37 O ATOM 800 CB PRO A 59 -3.461 8.589 -2.940 1.00 0.45 C ATOM 801 CG PRO A 59 -3.523 9.703 -1.953 1.00 0.46 C ATOM 802 CD PRO A 59 -4.226 9.144 -0.756 1.00 0.41 C ATOM 0 HA PRO A 59 -5.494 7.866 -3.425 1.00 0.39 H new ATOM 0 HB2 PRO A 59 -2.553 8.000 -2.811 1.00 0.45 H new ATOM 0 HB3 PRO A 59 -3.452 8.969 -3.962 1.00 0.45 H new ATOM 0 HG2 PRO A 59 -2.524 10.052 -1.693 1.00 0.46 H new ATOM 0 HG3 PRO A 59 -4.063 10.558 -2.361 1.00 0.46 H new ATOM 0 HD2 PRO A 59 -3.533 8.660 -0.068 1.00 0.41 H new ATOM 0 HD3 PRO A 59 -4.746 9.918 -0.192 1.00 0.41 H new ATOM 804 N VAL A 60 -4.833 5.560 -3.724 1.00 0.36 N ATOM 805 CA VAL A 60 -4.500 4.157 -3.912 1.00 0.33 C ATOM 806 C VAL A 60 -3.449 4.002 -5.008 1.00 0.39 C ATOM 807 O VAL A 60 -3.688 4.356 -6.165 1.00 0.50 O ATOM 808 CB VAL A 60 -5.747 3.319 -4.276 1.00 0.36 C ATOM 809 CG1 VAL A 60 -5.383 1.850 -4.444 1.00 0.36 C ATOM 810 CG2 VAL A 60 -6.832 3.485 -3.224 1.00 0.39 C ATOM 0 H VAL A 60 -5.455 5.945 -4.435 1.00 0.36 H new ATOM 0 HA VAL A 60 -4.102 3.789 -2.967 1.00 0.33 H new ATOM 0 HB VAL A 60 -6.134 3.684 -5.227 1.00 0.36 H new ATOM 0 HG11 VAL A 60 -6.277 1.281 -4.700 1.00 0.36 H new ATOM 0 HG12 VAL A 60 -4.646 1.746 -5.241 1.00 0.36 H new ATOM 0 HG13 VAL A 60 -4.965 1.470 -3.512 1.00 0.36 H new ATOM 0 HG21 VAL A 60 -7.701 2.887 -3.500 1.00 0.39 H new ATOM 0 HG22 VAL A 60 -6.455 3.153 -2.257 1.00 0.39 H new ATOM 0 HG23 VAL A 60 -7.120 4.534 -3.160 1.00 0.39 H new ATOM 820 N TYR A 61 -2.314 3.424 -4.650 1.00 0.35 N ATOM 821 CA TYR A 61 -1.257 3.142 -5.607 1.00 0.41 C ATOM 822 C TYR A 61 -1.232 1.649 -5.923 1.00 0.39 C ATOM 823 O TYR A 61 -1.224 0.813 -5.017 1.00 0.32 O ATOM 824 CB TYR A 61 0.107 3.588 -5.052 1.00 0.46 C ATOM 825 CG TYR A 61 1.274 3.237 -5.951 1.00 0.53 C ATOM 826 CD1 TYR A 61 1.463 3.876 -7.171 1.00 0.63 C ATOM 827 CD2 TYR A 61 2.164 2.230 -5.593 1.00 0.56 C ATOM 828 CE1 TYR A 61 2.504 3.523 -8.006 1.00 0.73 C ATOM 829 CE2 TYR A 61 3.211 1.879 -6.422 1.00 0.65 C ATOM 830 CZ TYR A 61 3.374 2.526 -7.628 1.00 0.72 C ATOM 831 OH TYR A 61 4.405 2.166 -8.465 1.00 0.83 O ATOM 0 H TYR A 61 -2.100 3.139 -3.694 1.00 0.35 H new ATOM 0 HA TYR A 61 -1.455 3.699 -6.523 1.00 0.41 H new ATOM 0 HB2 TYR A 61 0.091 4.667 -4.897 1.00 0.46 H new ATOM 0 HB3 TYR A 61 0.260 3.128 -4.076 1.00 0.46 H new ATOM 0 HD1 TYR A 61 0.785 4.661 -7.470 1.00 0.63 H new ATOM 0 HD2 TYR A 61 2.034 1.715 -4.653 1.00 0.56 H new ATOM 0 HE1 TYR A 61 2.635 4.027 -8.952 1.00 0.73 H new ATOM 0 HE2 TYR A 61 3.899 1.101 -6.127 1.00 0.65 H new ATOM 0 HH TYR A 61 4.372 2.712 -9.278 1.00 0.83 H new ATOM 839 N GLU A 62 -1.217 1.316 -7.200 1.00 0.49 N ATOM 840 CA GLU A 62 -1.161 -0.075 -7.615 1.00 0.52 C ATOM 841 C GLU A 62 0.282 -0.551 -7.700 1.00 0.50 C ATOM 842 O GLU A 62 1.120 0.077 -8.353 1.00 0.59 O ATOM 843 CB GLU A 62 -1.849 -0.263 -8.961 1.00 0.68 C ATOM 844 CG GLU A 62 -3.346 -0.020 -8.918 1.00 1.24 C ATOM 845 CD GLU A 62 -3.989 -0.162 -10.276 1.00 1.83 C ATOM 846 OE1 GLU A 62 -3.798 -1.215 -10.920 1.00 2.35 O ATOM 847 OE2 GLU A 62 -4.701 0.773 -10.701 1.00 2.47 O ATOM 0 H GLU A 62 -1.243 1.987 -7.967 1.00 0.49 H new ATOM 0 HA GLU A 62 -1.685 -0.671 -6.868 1.00 0.52 H new ATOM 0 HB2 GLU A 62 -1.400 0.415 -9.687 1.00 0.68 H new ATOM 0 HB3 GLU A 62 -1.664 -1.277 -9.315 1.00 0.68 H new ATOM 0 HG2 GLU A 62 -3.806 -0.724 -8.225 1.00 1.24 H new ATOM 0 HG3 GLU A 62 -3.538 0.980 -8.530 1.00 1.24 H new ATOM 850 N PHE A 63 0.553 -1.679 -7.064 1.00 0.42 N ATOM 851 CA PHE A 63 1.874 -2.275 -7.086 1.00 0.41 C ATOM 852 C PHE A 63 2.180 -2.816 -8.471 1.00 0.44 C ATOM 853 O PHE A 63 1.410 -3.605 -9.019 1.00 0.42 O ATOM 854 CB PHE A 63 1.969 -3.409 -6.061 1.00 0.41 C ATOM 855 CG PHE A 63 3.361 -3.950 -5.909 1.00 0.39 C ATOM 856 CD1 PHE A 63 4.427 -3.113 -5.608 1.00 0.60 C ATOM 857 CD2 PHE A 63 3.604 -5.299 -6.067 1.00 0.43 C ATOM 858 CE1 PHE A 63 5.705 -3.625 -5.469 1.00 0.67 C ATOM 859 CE2 PHE A 63 4.876 -5.812 -5.930 1.00 0.47 C ATOM 860 CZ PHE A 63 5.949 -4.922 -5.628 1.00 0.53 C ATOM 0 H PHE A 63 -0.134 -2.203 -6.522 1.00 0.42 H new ATOM 0 HA PHE A 63 2.602 -1.505 -6.830 1.00 0.41 H new ATOM 0 HB2 PHE A 63 1.619 -3.047 -5.094 1.00 0.41 H new ATOM 0 HB3 PHE A 63 1.302 -4.218 -6.360 1.00 0.41 H new ATOM 0 HD1 PHE A 63 4.257 -2.054 -5.481 1.00 0.60 H new ATOM 0 HD2 PHE A 63 2.785 -5.963 -6.302 1.00 0.43 H new ATOM 0 HE1 PHE A 63 6.519 -2.958 -5.227 1.00 0.67 H new ATOM 0 HE2 PHE A 63 5.057 -6.870 -6.049 1.00 0.47 H new ATOM 0 HZ PHE A 63 6.956 -5.300 -5.529 1.00 0.53 H new ATOM 868 N GLU A 64 3.317 -2.417 -9.019 1.00 0.61 N ATOM 869 CA GLU A 64 3.741 -2.884 -10.330 1.00 0.70 C ATOM 870 C GLU A 64 4.338 -4.288 -10.223 1.00 0.62 C ATOM 871 O GLU A 64 5.529 -4.491 -10.470 1.00 0.89 O ATOM 872 CB GLU A 64 4.756 -1.910 -10.934 1.00 0.97 C ATOM 873 CG GLU A 64 4.848 -1.983 -12.449 1.00 1.61 C ATOM 874 CD GLU A 64 3.521 -1.703 -13.122 1.00 1.90 C ATOM 875 OE1 GLU A 64 2.940 -0.622 -12.878 1.00 2.08 O ATOM 876 OE2 GLU A 64 3.049 -2.560 -13.900 1.00 2.46 O ATOM 0 H GLU A 64 3.966 -1.768 -8.574 1.00 0.61 H new ATOM 0 HA GLU A 64 2.873 -2.929 -10.987 1.00 0.70 H new ATOM 0 HB2 GLU A 64 4.488 -0.894 -10.644 1.00 0.97 H new ATOM 0 HB3 GLU A 64 5.739 -2.114 -10.509 1.00 0.97 H new ATOM 0 HG2 GLU A 64 5.589 -1.265 -12.800 1.00 1.61 H new ATOM 0 HG3 GLU A 64 5.199 -2.973 -12.742 1.00 1.61 H new ATOM 879 N GLY A 65 3.526 -5.234 -9.774 1.00 0.62 N ATOM 880 CA GLY A 65 3.993 -6.592 -9.603 1.00 0.64 C ATOM 881 C GLY A 65 2.946 -7.484 -8.966 1.00 0.62 C ATOM 882 O GLY A 65 1.746 -7.218 -9.072 1.00 0.82 O ATOM 0 H GLY A 65 2.549 -5.083 -9.525 1.00 0.62 H new ATOM 0 HA2 GLY A 65 4.275 -7.002 -10.573 1.00 0.64 H new ATOM 0 HA3 GLY A 65 4.891 -6.590 -8.985 1.00 0.64 H new ATOM 886 N THR A 66 3.400 -8.530 -8.292 1.00 0.63 N ATOM 887 CA THR A 66 2.505 -9.482 -7.653 1.00 0.67 C ATOM 888 C THR A 66 2.642 -9.439 -6.137 1.00 0.60 C ATOM 889 O THR A 66 3.593 -8.860 -5.605 1.00 0.56 O ATOM 890 CB THR A 66 2.798 -10.917 -8.131 1.00 0.83 C ATOM 891 OG1 THR A 66 4.173 -11.239 -7.876 1.00 1.53 O ATOM 892 CG2 THR A 66 2.501 -11.068 -9.616 1.00 1.42 C ATOM 0 H THR A 66 4.391 -8.742 -8.173 1.00 0.63 H new ATOM 0 HA THR A 66 1.490 -9.200 -7.932 1.00 0.67 H new ATOM 0 HB THR A 66 2.152 -11.602 -7.581 1.00 0.83 H new ATOM 0 HG1 THR A 66 4.357 -12.153 -8.179 1.00 1.53 H new ATOM 0 HG21 THR A 66 2.716 -12.090 -9.928 1.00 1.42 H new ATOM 0 HG22 THR A 66 1.450 -10.846 -9.801 1.00 1.42 H new ATOM 0 HG23 THR A 66 3.124 -10.377 -10.184 1.00 1.42 H new ATOM 900 N SER A 67 1.728 -10.118 -5.456 1.00 0.61 N ATOM 901 CA SER A 67 1.769 -10.245 -4.008 1.00 0.58 C ATOM 902 C SER A 67 3.032 -10.979 -3.573 1.00 0.56 C ATOM 903 O SER A 67 3.608 -10.681 -2.528 1.00 0.54 O ATOM 904 CB SER A 67 0.530 -10.989 -3.517 1.00 0.67 C ATOM 905 OG SER A 67 0.332 -12.186 -4.252 1.00 1.25 O ATOM 0 H SER A 67 0.939 -10.595 -5.893 1.00 0.61 H new ATOM 0 HA SER A 67 1.782 -9.248 -3.568 1.00 0.58 H new ATOM 0 HB2 SER A 67 0.637 -11.222 -2.458 1.00 0.67 H new ATOM 0 HB3 SER A 67 -0.346 -10.348 -3.615 1.00 0.67 H new ATOM 0 HG SER A 67 -0.467 -12.646 -3.919 1.00 1.25 H new ATOM 909 N VAL A 68 3.469 -11.919 -4.403 1.00 0.64 N ATOM 910 CA VAL A 68 4.691 -12.663 -4.147 1.00 0.67 C ATOM 911 C VAL A 68 5.886 -11.722 -4.150 1.00 0.58 C ATOM 912 O VAL A 68 6.675 -11.695 -3.205 1.00 0.59 O ATOM 913 CB VAL A 68 4.903 -13.773 -5.199 1.00 0.79 C ATOM 914 CG1 VAL A 68 6.210 -14.509 -4.956 1.00 0.84 C ATOM 915 CG2 VAL A 68 3.734 -14.745 -5.189 1.00 0.97 C ATOM 0 H VAL A 68 2.990 -12.183 -5.264 1.00 0.64 H new ATOM 0 HA VAL A 68 4.597 -13.132 -3.168 1.00 0.67 H new ATOM 0 HB VAL A 68 4.956 -13.304 -6.181 1.00 0.79 H new ATOM 0 HG11 VAL A 68 6.336 -15.286 -5.710 1.00 0.84 H new ATOM 0 HG12 VAL A 68 7.040 -13.806 -5.017 1.00 0.84 H new ATOM 0 HG13 VAL A 68 6.193 -14.964 -3.966 1.00 0.84 H new ATOM 0 HG21 VAL A 68 3.900 -15.521 -5.936 1.00 0.97 H new ATOM 0 HG22 VAL A 68 3.650 -15.203 -4.203 1.00 0.97 H new ATOM 0 HG23 VAL A 68 2.813 -14.209 -5.420 1.00 0.97 H new ATOM 925 N GLU A 69 5.960 -10.896 -5.185 1.00 0.57 N ATOM 926 CA GLU A 69 7.025 -9.917 -5.316 1.00 0.55 C ATOM 927 C GLU A 69 6.997 -8.931 -4.151 1.00 0.48 C ATOM 928 O GLU A 69 8.040 -8.579 -3.598 1.00 0.52 O ATOM 929 CB GLU A 69 6.889 -9.162 -6.640 1.00 0.65 C ATOM 930 CG GLU A 69 8.100 -8.311 -6.976 1.00 1.35 C ATOM 931 CD GLU A 69 9.309 -9.148 -7.336 1.00 1.73 C ATOM 932 OE1 GLU A 69 9.142 -10.353 -7.611 1.00 1.82 O ATOM 933 OE2 GLU A 69 10.430 -8.601 -7.366 1.00 2.65 O ATOM 0 H GLU A 69 5.287 -10.887 -5.952 1.00 0.57 H new ATOM 0 HA GLU A 69 7.979 -10.445 -5.303 1.00 0.55 H new ATOM 0 HB2 GLU A 69 6.724 -9.880 -7.444 1.00 0.65 H new ATOM 0 HB3 GLU A 69 6.006 -8.524 -6.597 1.00 0.65 H new ATOM 0 HG2 GLU A 69 7.857 -7.651 -7.808 1.00 1.35 H new ATOM 0 HG3 GLU A 69 8.342 -7.675 -6.124 1.00 1.35 H new ATOM 936 N LEU A 70 5.799 -8.478 -3.797 1.00 0.44 N ATOM 937 CA LEU A 70 5.629 -7.509 -2.720 1.00 0.41 C ATOM 938 C LEU A 70 5.983 -8.130 -1.369 1.00 0.48 C ATOM 939 O LEU A 70 6.705 -7.531 -0.575 1.00 0.56 O ATOM 940 CB LEU A 70 4.192 -6.974 -2.715 1.00 0.41 C ATOM 941 CG LEU A 70 3.945 -5.752 -1.825 1.00 0.38 C ATOM 942 CD1 LEU A 70 4.892 -4.613 -2.189 1.00 0.41 C ATOM 943 CD2 LEU A 70 2.497 -5.300 -1.943 1.00 0.43 C ATOM 0 H LEU A 70 4.928 -8.768 -4.242 1.00 0.44 H new ATOM 0 HA LEU A 70 6.310 -6.675 -2.892 1.00 0.41 H new ATOM 0 HB2 LEU A 70 3.915 -6.719 -3.738 1.00 0.41 H new ATOM 0 HB3 LEU A 70 3.526 -7.775 -2.395 1.00 0.41 H new ATOM 0 HG LEU A 70 4.140 -6.036 -0.791 1.00 0.38 H new ATOM 0 HD11 LEU A 70 4.697 -3.757 -1.543 1.00 0.41 H new ATOM 0 HD12 LEU A 70 5.923 -4.940 -2.056 1.00 0.41 H new ATOM 0 HD13 LEU A 70 4.734 -4.326 -3.229 1.00 0.41 H new ATOM 0 HD21 LEU A 70 2.334 -4.431 -1.306 1.00 0.43 H new ATOM 0 HD22 LEU A 70 2.281 -5.036 -2.978 1.00 0.43 H new ATOM 0 HD23 LEU A 70 1.837 -6.109 -1.629 1.00 0.43 H new ATOM 953 N GLY A 71 5.521 -9.355 -1.136 1.00 0.54 N ATOM 954 CA GLY A 71 5.849 -10.060 0.092 1.00 0.68 C ATOM 955 C GLY A 71 7.345 -10.232 0.270 1.00 0.71 C ATOM 956 O GLY A 71 7.888 -9.958 1.345 1.00 0.84 O ATOM 0 H GLY A 71 4.923 -9.874 -1.778 1.00 0.54 H new ATOM 0 HA2 GLY A 71 5.444 -9.512 0.943 1.00 0.68 H new ATOM 0 HA3 GLY A 71 5.370 -11.039 0.086 1.00 0.68 H new ATOM 960 N THR A 72 8.018 -10.611 -0.809 1.00 0.65 N ATOM 961 CA THR A 72 9.468 -10.737 -0.806 1.00 0.75 C ATOM 962 C THR A 72 10.121 -9.369 -0.611 1.00 0.75 C ATOM 963 O THR A 72 11.127 -9.247 0.084 1.00 0.88 O ATOM 964 CB THR A 72 9.972 -11.377 -2.116 1.00 0.80 C ATOM 965 OG1 THR A 72 9.287 -12.617 -2.346 1.00 1.46 O ATOM 966 CG2 THR A 72 11.474 -11.632 -2.063 1.00 1.12 C ATOM 0 H THR A 72 7.579 -10.837 -1.701 1.00 0.65 H new ATOM 0 HA THR A 72 9.746 -11.387 0.024 1.00 0.75 H new ATOM 0 HB THR A 72 9.768 -10.683 -2.931 1.00 0.80 H new ATOM 0 HG1 THR A 72 8.372 -12.435 -2.646 1.00 1.46 H new ATOM 0 HG21 THR A 72 11.800 -12.083 -3.000 1.00 1.12 H new ATOM 0 HG22 THR A 72 11.998 -10.688 -1.913 1.00 1.12 H new ATOM 0 HG23 THR A 72 11.700 -12.307 -1.237 1.00 1.12 H new ATOM 974 N LEU A 73 9.507 -8.338 -1.189 1.00 0.65 N ATOM 975 CA LEU A 73 9.994 -6.965 -1.070 1.00 0.73 C ATOM 976 C LEU A 73 10.047 -6.544 0.399 1.00 0.84 C ATOM 977 O LEU A 73 11.065 -6.040 0.877 1.00 0.97 O ATOM 978 CB LEU A 73 9.071 -6.023 -1.861 1.00 0.71 C ATOM 979 CG LEU A 73 9.699 -4.719 -2.366 1.00 0.91 C ATOM 980 CD1 LEU A 73 10.089 -3.809 -1.213 1.00 1.51 C ATOM 981 CD2 LEU A 73 10.902 -5.025 -3.244 1.00 1.47 C ATOM 0 H LEU A 73 8.661 -8.430 -1.751 1.00 0.65 H new ATOM 0 HA LEU A 73 11.002 -6.907 -1.480 1.00 0.73 H new ATOM 0 HB2 LEU A 73 8.680 -6.569 -2.720 1.00 0.71 H new ATOM 0 HB3 LEU A 73 8.219 -5.770 -1.230 1.00 0.71 H new ATOM 0 HG LEU A 73 8.955 -4.190 -2.962 1.00 0.91 H new ATOM 0 HD11 LEU A 73 10.531 -2.893 -1.606 1.00 1.51 H new ATOM 0 HD12 LEU A 73 9.203 -3.562 -0.628 1.00 1.51 H new ATOM 0 HD13 LEU A 73 10.813 -4.318 -0.577 1.00 1.51 H new ATOM 0 HD21 LEU A 73 11.341 -4.092 -3.598 1.00 1.47 H new ATOM 0 HD22 LEU A 73 11.642 -5.579 -2.667 1.00 1.47 H new ATOM 0 HD23 LEU A 73 10.586 -5.624 -4.098 1.00 1.47 H new ATOM 991 N LEU A 74 8.967 -6.819 1.122 1.00 0.84 N ATOM 992 CA LEU A 74 8.910 -6.532 2.551 1.00 1.03 C ATOM 993 C LEU A 74 9.862 -7.438 3.315 1.00 1.24 C ATOM 994 O LEU A 74 10.383 -7.066 4.366 1.00 1.47 O ATOM 995 CB LEU A 74 7.488 -6.713 3.099 1.00 1.01 C ATOM 996 CG LEU A 74 6.548 -5.514 2.934 1.00 0.93 C ATOM 997 CD1 LEU A 74 6.210 -5.279 1.473 1.00 1.79 C ATOM 998 CD2 LEU A 74 5.279 -5.720 3.746 1.00 1.14 C ATOM 0 H LEU A 74 8.119 -7.240 0.742 1.00 0.84 H new ATOM 0 HA LEU A 74 9.208 -5.493 2.688 1.00 1.03 H new ATOM 0 HB2 LEU A 74 7.037 -7.574 2.606 1.00 1.01 H new ATOM 0 HB3 LEU A 74 7.556 -6.953 4.160 1.00 1.01 H new ATOM 0 HG LEU A 74 7.063 -4.628 3.306 1.00 0.93 H new ATOM 0 HD11 LEU A 74 5.542 -4.422 1.387 1.00 1.79 H new ATOM 0 HD12 LEU A 74 7.125 -5.082 0.915 1.00 1.79 H new ATOM 0 HD13 LEU A 74 5.720 -6.163 1.066 1.00 1.79 H new ATOM 0 HD21 LEU A 74 4.622 -4.860 3.618 1.00 1.14 H new ATOM 0 HD22 LEU A 74 4.769 -6.620 3.403 1.00 1.14 H new ATOM 0 HD23 LEU A 74 5.535 -5.828 4.800 1.00 1.14 H new ATOM 1008 N GLY A 75 10.015 -8.657 2.826 1.00 1.24 N ATOM 1009 CA GLY A 75 10.808 -9.642 3.524 1.00 1.50 C ATOM 1010 C GLY A 75 10.008 -10.297 4.624 1.00 1.63 C ATOM 1011 O GLY A 75 10.528 -10.604 5.698 1.00 2.22 O ATOM 0 H GLY A 75 9.601 -8.983 1.953 1.00 1.24 H new ATOM 0 HA2 GLY A 75 11.155 -10.399 2.821 1.00 1.50 H new ATOM 0 HA3 GLY A 75 11.694 -9.168 3.946 1.00 1.50 H new ATOM 1015 N ARG A 76 8.729 -10.492 4.353 1.00 1.47 N ATOM 1016 CA ARG A 76 7.823 -11.108 5.307 1.00 1.63 C ATOM 1017 C ARG A 76 7.505 -12.529 4.852 1.00 1.48 C ATOM 1018 O ARG A 76 7.331 -12.767 3.658 1.00 1.41 O ATOM 1019 CB ARG A 76 6.545 -10.269 5.417 1.00 1.84 C ATOM 1020 CG ARG A 76 5.896 -10.301 6.794 1.00 1.98 C ATOM 1021 CD ARG A 76 6.844 -9.800 7.882 1.00 2.35 C ATOM 1022 NE ARG A 76 7.393 -8.465 7.598 1.00 3.01 N ATOM 1023 CZ ARG A 76 6.677 -7.335 7.567 1.00 3.50 C ATOM 1024 NH1 ARG A 76 5.385 -7.342 7.856 1.00 3.60 N ATOM 1025 NH2 ARG A 76 7.273 -6.188 7.274 1.00 4.36 N ATOM 0 H ARG A 76 8.291 -10.229 3.470 1.00 1.47 H new ATOM 0 HA ARG A 76 8.289 -11.153 6.291 1.00 1.63 H new ATOM 0 HB2 ARG A 76 6.779 -9.235 5.161 1.00 1.84 H new ATOM 0 HB3 ARG A 76 5.825 -10.625 4.680 1.00 1.84 H new ATOM 0 HG2 ARG A 76 4.996 -9.686 6.786 1.00 1.98 H new ATOM 0 HG3 ARG A 76 5.584 -11.320 7.025 1.00 1.98 H new ATOM 0 HD2 ARG A 76 6.314 -9.773 8.834 1.00 2.35 H new ATOM 0 HD3 ARG A 76 7.665 -10.508 7.994 1.00 2.35 H new ATOM 0 HE ARG A 76 8.393 -8.396 7.411 1.00 3.01 H new ATOM 0 HH11 ARG A 76 4.923 -8.216 8.106 1.00 3.60 H new ATOM 0 HH12 ARG A 76 4.852 -6.473 7.828 1.00 3.60 H new ATOM 0 HH21 ARG A 76 8.273 -6.169 7.073 1.00 4.36 H new ATOM 0 HH22 ARG A 76 6.732 -5.324 7.249 1.00 4.36 H new ATOM 1033 N PRO A 77 7.541 -13.509 5.774 1.00 1.57 N ATOM 1034 CA PRO A 77 7.380 -14.941 5.443 1.00 1.60 C ATOM 1035 C PRO A 77 5.963 -15.325 5.003 1.00 1.55 C ATOM 1036 O PRO A 77 5.513 -16.446 5.242 1.00 1.73 O ATOM 1037 CB PRO A 77 7.743 -15.656 6.749 1.00 1.89 C ATOM 1038 CG PRO A 77 7.528 -14.640 7.815 1.00 1.91 C ATOM 1039 CD PRO A 77 7.872 -13.317 7.195 1.00 1.81 C ATOM 0 HA PRO A 77 8.004 -15.212 4.592 1.00 1.60 H new ATOM 0 HB2 PRO A 77 7.115 -16.533 6.907 1.00 1.89 H new ATOM 0 HB3 PRO A 77 8.777 -16.002 6.736 1.00 1.89 H new ATOM 0 HG2 PRO A 77 6.495 -14.652 8.164 1.00 1.91 H new ATOM 0 HG3 PRO A 77 8.159 -14.842 8.681 1.00 1.91 H new ATOM 0 HD2 PRO A 77 7.294 -12.505 7.636 1.00 1.81 H new ATOM 0 HD3 PRO A 77 8.925 -13.071 7.332 1.00 1.81 H new ATOM 1041 N HIS A 78 5.332 -14.446 4.242 1.00 1.55 N ATOM 1042 CA HIS A 78 4.034 -14.717 3.634 1.00 1.56 C ATOM 1043 C HIS A 78 3.676 -13.585 2.681 1.00 1.37 C ATOM 1044 O HIS A 78 4.055 -12.434 2.910 1.00 1.90 O ATOM 1045 CB HIS A 78 2.935 -14.923 4.696 1.00 1.86 C ATOM 1046 CG HIS A 78 2.674 -13.739 5.578 1.00 1.97 C ATOM 1047 ND1 HIS A 78 1.651 -12.842 5.363 1.00 2.84 N ATOM 1048 CD2 HIS A 78 3.317 -13.312 6.689 1.00 1.78 C ATOM 1049 CE1 HIS A 78 1.678 -11.917 6.301 1.00 3.13 C ATOM 1050 NE2 HIS A 78 2.678 -12.179 7.118 1.00 2.47 N ATOM 0 H HIS A 78 5.704 -13.521 4.026 1.00 1.55 H new ATOM 0 HA HIS A 78 4.102 -15.649 3.073 1.00 1.56 H new ATOM 0 HB2 HIS A 78 2.008 -15.191 4.190 1.00 1.86 H new ATOM 0 HB3 HIS A 78 3.212 -15.770 5.324 1.00 1.86 H new ATOM 0 HD1 HIS A 78 0.978 -12.887 4.598 1.00 2.84 H new ATOM 0 HD2 HIS A 78 4.175 -13.778 7.152 1.00 1.78 H new ATOM 0 HE1 HIS A 78 0.995 -11.084 6.386 1.00 3.13 H new ATOM 1057 N THR A 79 3.094 -13.943 1.546 1.00 1.02 N ATOM 1058 CA THR A 79 2.823 -12.983 0.484 1.00 0.90 C ATOM 1059 C THR A 79 1.790 -11.943 0.909 1.00 0.80 C ATOM 1060 O THR A 79 0.690 -12.285 1.346 1.00 1.06 O ATOM 1061 CB THR A 79 2.338 -13.705 -0.785 1.00 1.08 C ATOM 1062 OG1 THR A 79 1.274 -14.616 -0.461 1.00 1.25 O ATOM 1063 CG2 THR A 79 3.480 -14.470 -1.433 1.00 1.21 C ATOM 0 H THR A 79 2.799 -14.896 1.335 1.00 1.02 H new ATOM 0 HA THR A 79 3.758 -12.465 0.272 1.00 0.90 H new ATOM 0 HB THR A 79 1.971 -12.955 -1.486 1.00 1.08 H new ATOM 0 HG1 THR A 79 0.692 -14.212 0.216 1.00 1.25 H new ATOM 0 HG21 THR A 79 3.118 -14.974 -2.329 1.00 1.21 H new ATOM 0 HG22 THR A 79 4.276 -13.776 -1.704 1.00 1.21 H new ATOM 0 HG23 THR A 79 3.867 -15.209 -0.732 1.00 1.21 H new ATOM 1071 N VAL A 80 2.145 -10.674 0.768 1.00 0.65 N ATOM 1072 CA VAL A 80 1.247 -9.586 1.118 1.00 0.55 C ATOM 1073 C VAL A 80 0.476 -9.104 -0.112 1.00 0.48 C ATOM 1074 O VAL A 80 1.053 -8.886 -1.177 1.00 0.56 O ATOM 1075 CB VAL A 80 2.016 -8.412 1.773 1.00 0.62 C ATOM 1076 CG1 VAL A 80 3.057 -7.834 0.829 1.00 1.16 C ATOM 1077 CG2 VAL A 80 1.055 -7.331 2.241 1.00 1.24 C ATOM 0 H VAL A 80 3.052 -10.373 0.412 1.00 0.65 H new ATOM 0 HA VAL A 80 0.532 -9.966 1.847 1.00 0.55 H new ATOM 0 HB VAL A 80 2.540 -8.806 2.643 1.00 0.62 H new ATOM 0 HG11 VAL A 80 3.578 -7.012 1.321 1.00 1.16 H new ATOM 0 HG12 VAL A 80 3.775 -8.609 0.560 1.00 1.16 H new ATOM 0 HG13 VAL A 80 2.566 -7.465 -0.072 1.00 1.16 H new ATOM 0 HG21 VAL A 80 1.618 -6.517 2.698 1.00 1.24 H new ATOM 0 HG22 VAL A 80 0.493 -6.950 1.388 1.00 1.24 H new ATOM 0 HG23 VAL A 80 0.365 -7.750 2.973 1.00 1.24 H new ATOM 1087 N SER A 81 -0.843 -9.048 0.014 1.00 0.42 N ATOM 1088 CA SER A 81 -1.706 -8.683 -1.103 1.00 0.47 C ATOM 1089 C SER A 81 -1.827 -7.162 -1.219 1.00 0.38 C ATOM 1090 O SER A 81 -1.909 -6.613 -2.320 1.00 0.39 O ATOM 1091 CB SER A 81 -3.088 -9.319 -0.920 1.00 0.55 C ATOM 1092 OG SER A 81 -3.851 -9.254 -2.110 1.00 1.18 O ATOM 0 H SER A 81 -1.341 -9.251 0.881 1.00 0.42 H new ATOM 0 HA SER A 81 -1.263 -9.057 -2.026 1.00 0.47 H new ATOM 0 HB2 SER A 81 -2.973 -10.360 -0.617 1.00 0.55 H new ATOM 0 HB3 SER A 81 -3.621 -8.810 -0.117 1.00 0.55 H new ATOM 0 HG SER A 81 -4.726 -9.669 -1.961 1.00 1.18 H new ATOM 1096 N ALA A 82 -1.838 -6.492 -0.074 1.00 0.32 N ATOM 1097 CA ALA A 82 -1.964 -5.044 -0.026 1.00 0.30 C ATOM 1098 C ALA A 82 -1.422 -4.518 1.293 1.00 0.30 C ATOM 1099 O ALA A 82 -1.429 -5.230 2.302 1.00 0.34 O ATOM 1100 CB ALA A 82 -3.418 -4.629 -0.205 1.00 0.33 C ATOM 0 H ALA A 82 -1.760 -6.935 0.841 1.00 0.32 H new ATOM 0 HA ALA A 82 -1.382 -4.615 -0.842 1.00 0.30 H new ATOM 0 HB1 ALA A 82 -3.494 -3.542 -0.166 1.00 0.33 H new ATOM 0 HB2 ALA A 82 -3.782 -4.984 -1.169 1.00 0.33 H new ATOM 0 HB3 ALA A 82 -4.021 -5.063 0.592 1.00 0.33 H new ATOM 1106 N LEU A 83 -0.940 -3.288 1.284 1.00 0.29 N ATOM 1107 CA LEU A 83 -0.386 -2.684 2.483 1.00 0.31 C ATOM 1108 C LEU A 83 -0.766 -1.211 2.576 1.00 0.28 C ATOM 1109 O LEU A 83 -0.781 -0.491 1.574 1.00 0.30 O ATOM 1110 CB LEU A 83 1.138 -2.867 2.523 1.00 0.37 C ATOM 1111 CG LEU A 83 1.906 -2.416 1.274 1.00 0.44 C ATOM 1112 CD1 LEU A 83 2.260 -0.939 1.351 1.00 0.88 C ATOM 1113 CD2 LEU A 83 3.159 -3.255 1.098 1.00 0.83 C ATOM 0 H LEU A 83 -0.921 -2.688 0.460 1.00 0.29 H new ATOM 0 HA LEU A 83 -0.811 -3.190 3.350 1.00 0.31 H new ATOM 0 HB2 LEU A 83 1.527 -2.319 3.381 1.00 0.37 H new ATOM 0 HB3 LEU A 83 1.352 -3.922 2.695 1.00 0.37 H new ATOM 0 HG LEU A 83 1.261 -2.560 0.407 1.00 0.44 H new ATOM 0 HD11 LEU A 83 2.804 -0.648 0.452 1.00 0.88 H new ATOM 0 HD12 LEU A 83 1.347 -0.350 1.429 1.00 0.88 H new ATOM 0 HD13 LEU A 83 2.884 -0.760 2.227 1.00 0.88 H new ATOM 0 HD21 LEU A 83 3.696 -2.925 0.208 1.00 0.83 H new ATOM 0 HD22 LEU A 83 3.800 -3.139 1.972 1.00 0.83 H new ATOM 0 HD23 LEU A 83 2.882 -4.303 0.987 1.00 0.83 H new ATOM 1123 N ALA A 84 -1.124 -0.787 3.777 1.00 0.28 N ATOM 1124 CA ALA A 84 -1.525 0.586 4.009 1.00 0.29 C ATOM 1125 C ALA A 84 -0.339 1.423 4.467 1.00 0.30 C ATOM 1126 O ALA A 84 0.200 1.219 5.558 1.00 0.34 O ATOM 1127 CB ALA A 84 -2.648 0.645 5.034 1.00 0.35 C ATOM 0 H ALA A 84 -1.144 -1.379 4.608 1.00 0.28 H new ATOM 0 HA ALA A 84 -1.892 1.000 3.070 1.00 0.29 H new ATOM 0 HB1 ALA A 84 -2.938 1.683 5.197 1.00 0.35 H new ATOM 0 HB2 ALA A 84 -3.506 0.082 4.666 1.00 0.35 H new ATOM 0 HB3 ALA A 84 -2.306 0.212 5.974 1.00 0.35 H new ATOM 1133 N VAL A 85 0.013 2.408 3.663 1.00 0.35 N ATOM 1134 CA VAL A 85 1.058 3.355 4.011 1.00 0.42 C ATOM 1135 C VAL A 85 0.484 4.442 4.909 1.00 0.41 C ATOM 1136 O VAL A 85 -0.015 5.462 4.426 1.00 0.46 O ATOM 1137 CB VAL A 85 1.681 4.004 2.750 1.00 0.53 C ATOM 1138 CG1 VAL A 85 2.820 4.943 3.122 1.00 0.69 C ATOM 1139 CG2 VAL A 85 2.162 2.936 1.781 1.00 1.05 C ATOM 0 H VAL A 85 -0.415 2.575 2.752 1.00 0.35 H new ATOM 0 HA VAL A 85 1.843 2.811 4.536 1.00 0.42 H new ATOM 0 HB VAL A 85 0.907 4.594 2.258 1.00 0.53 H new ATOM 0 HG11 VAL A 85 3.238 5.384 2.217 1.00 0.69 H new ATOM 0 HG12 VAL A 85 2.443 5.734 3.770 1.00 0.69 H new ATOM 0 HG13 VAL A 85 3.596 4.384 3.645 1.00 0.69 H new ATOM 0 HG21 VAL A 85 2.596 3.412 0.902 1.00 1.05 H new ATOM 0 HG22 VAL A 85 2.915 2.316 2.267 1.00 1.05 H new ATOM 0 HG23 VAL A 85 1.320 2.314 1.478 1.00 1.05 H new ATOM 1149 N VAL A 86 0.490 4.187 6.211 1.00 0.44 N ATOM 1150 CA VAL A 86 -0.056 5.128 7.176 1.00 0.46 C ATOM 1151 C VAL A 86 0.700 6.444 7.101 1.00 0.47 C ATOM 1152 O VAL A 86 0.097 7.511 6.982 1.00 0.54 O ATOM 1153 CB VAL A 86 0.012 4.573 8.614 1.00 0.48 C ATOM 1154 CG1 VAL A 86 -0.627 5.541 9.598 1.00 0.53 C ATOM 1155 CG2 VAL A 86 -0.659 3.211 8.688 1.00 0.53 C ATOM 0 H VAL A 86 0.868 3.334 6.622 1.00 0.44 H new ATOM 0 HA VAL A 86 -1.105 5.289 6.925 1.00 0.46 H new ATOM 0 HB VAL A 86 1.061 4.457 8.888 1.00 0.48 H new ATOM 0 HG11 VAL A 86 -0.567 5.128 10.605 1.00 0.53 H new ATOM 0 HG12 VAL A 86 -0.100 6.495 9.565 1.00 0.53 H new ATOM 0 HG13 VAL A 86 -1.672 5.695 9.330 1.00 0.53 H new ATOM 0 HG21 VAL A 86 -0.603 2.833 9.709 1.00 0.53 H new ATOM 0 HG22 VAL A 86 -1.704 3.304 8.392 1.00 0.53 H new ATOM 0 HG23 VAL A 86 -0.152 2.519 8.016 1.00 0.53 H new ATOM 1165 N ASP A 87 2.019 6.346 7.026 1.00 0.49 N ATOM 1166 CA ASP A 87 2.865 7.513 6.841 1.00 0.60 C ATOM 1167 C ASP A 87 4.238 7.084 6.339 1.00 0.47 C ATOM 1168 O ASP A 87 4.839 6.159 6.882 1.00 0.62 O ATOM 1169 CB ASP A 87 3.000 8.296 8.150 1.00 0.83 C ATOM 1170 CG ASP A 87 3.736 9.607 7.965 1.00 1.50 C ATOM 1171 OD1 ASP A 87 3.313 10.417 7.111 1.00 1.94 O ATOM 1172 OD2 ASP A 87 4.729 9.846 8.685 1.00 2.15 O ATOM 0 H ASP A 87 2.528 5.464 7.091 1.00 0.49 H new ATOM 0 HA ASP A 87 2.402 8.164 6.099 1.00 0.60 H new ATOM 0 HB2 ASP A 87 2.008 8.494 8.556 1.00 0.83 H new ATOM 0 HB3 ASP A 87 3.529 7.686 8.882 1.00 0.83 H new ATOM 1175 N PRO A 88 4.682 7.663 5.211 1.00 0.45 N ATOM 1176 CA PRO A 88 5.942 7.285 4.555 1.00 0.54 C ATOM 1177 C PRO A 88 7.170 7.596 5.407 1.00 0.93 C ATOM 1178 O PRO A 88 8.203 6.932 5.290 1.00 1.68 O ATOM 1179 CB PRO A 88 5.956 8.135 3.279 1.00 0.69 C ATOM 1180 CG PRO A 88 4.537 8.525 3.061 1.00 0.99 C ATOM 1181 CD PRO A 88 3.942 8.666 4.429 1.00 0.66 C ATOM 0 HA PRO A 88 5.988 6.211 4.373 1.00 0.54 H new ATOM 0 HB2 PRO A 88 6.593 9.012 3.396 1.00 0.69 H new ATOM 0 HB3 PRO A 88 6.345 7.569 2.432 1.00 0.69 H new ATOM 0 HG2 PRO A 88 4.469 9.460 2.506 1.00 0.99 H new ATOM 0 HG3 PRO A 88 4.008 7.770 2.480 1.00 0.99 H new ATOM 0 HD2 PRO A 88 4.079 9.671 4.828 1.00 0.66 H new ATOM 0 HD3 PRO A 88 2.870 8.467 4.427 1.00 0.66 H new ATOM 1183 N GLY A 89 7.088 8.670 6.179 1.00 0.73 N ATOM 1184 CA GLY A 89 8.225 9.103 6.957 1.00 1.09 C ATOM 1185 C GLY A 89 9.273 9.765 6.093 1.00 0.99 C ATOM 1186 O GLY A 89 8.968 10.686 5.334 1.00 1.49 O ATOM 0 H GLY A 89 6.253 9.248 6.279 1.00 0.73 H new ATOM 0 HA2 GLY A 89 7.895 9.800 7.727 1.00 1.09 H new ATOM 0 HA3 GLY A 89 8.663 8.246 7.469 1.00 1.09 H new ATOM 1190 N GLU A 90 10.498 9.273 6.178 1.00 0.73 N ATOM 1191 CA GLU A 90 11.593 9.802 5.374 1.00 0.70 C ATOM 1192 C GLU A 90 11.461 9.370 3.916 1.00 0.68 C ATOM 1193 O GLU A 90 12.026 10.002 3.020 1.00 1.07 O ATOM 1194 CB GLU A 90 12.948 9.358 5.930 1.00 0.95 C ATOM 1195 CG GLU A 90 13.500 10.254 7.033 1.00 1.45 C ATOM 1196 CD GLU A 90 12.788 10.098 8.365 1.00 2.32 C ATOM 1197 OE1 GLU A 90 11.600 10.471 8.448 1.00 2.82 O ATOM 1198 OE2 GLU A 90 13.401 9.596 9.330 1.00 3.03 O ATOM 0 H GLU A 90 10.762 8.506 6.797 1.00 0.73 H new ATOM 0 HA GLU A 90 11.538 10.890 5.421 1.00 0.70 H new ATOM 0 HB2 GLU A 90 12.854 8.343 6.316 1.00 0.95 H new ATOM 0 HB3 GLU A 90 13.668 9.322 5.113 1.00 0.95 H new ATOM 0 HG2 GLU A 90 14.559 10.035 7.170 1.00 1.45 H new ATOM 0 HG3 GLU A 90 13.428 11.294 6.713 1.00 1.45 H new ATOM 1201 N SER A 91 10.747 8.275 3.691 1.00 0.54 N ATOM 1202 CA SER A 91 10.565 7.737 2.350 1.00 0.53 C ATOM 1203 C SER A 91 9.745 8.682 1.478 1.00 0.49 C ATOM 1204 O SER A 91 8.768 9.280 1.932 1.00 0.57 O ATOM 1205 CB SER A 91 9.886 6.370 2.410 1.00 0.65 C ATOM 1206 OG SER A 91 9.692 5.844 1.111 1.00 1.65 O ATOM 0 H SER A 91 10.282 7.740 4.424 1.00 0.54 H new ATOM 0 HA SER A 91 11.553 7.628 1.902 1.00 0.53 H new ATOM 0 HB2 SER A 91 10.495 5.683 2.998 1.00 0.65 H new ATOM 0 HB3 SER A 91 8.926 6.459 2.918 1.00 0.65 H new ATOM 0 HG SER A 91 10.354 6.229 0.500 1.00 1.65 H new ATOM 1210 N ARG A 92 10.117 8.764 0.212 1.00 0.50 N ATOM 1211 CA ARG A 92 9.394 9.579 -0.749 1.00 0.55 C ATOM 1212 C ARG A 92 8.537 8.700 -1.662 1.00 0.53 C ATOM 1213 O ARG A 92 8.519 8.870 -2.883 1.00 0.68 O ATOM 1214 CB ARG A 92 10.373 10.429 -1.568 1.00 0.72 C ATOM 1215 CG ARG A 92 11.396 9.619 -2.349 1.00 1.39 C ATOM 1216 CD ARG A 92 12.422 10.521 -3.011 1.00 2.08 C ATOM 1217 NE ARG A 92 13.313 11.147 -2.034 1.00 2.69 N ATOM 1218 CZ ARG A 92 14.317 10.517 -1.422 1.00 3.57 C ATOM 1219 NH1 ARG A 92 14.595 9.250 -1.717 1.00 4.00 N ATOM 1220 NH2 ARG A 92 15.050 11.162 -0.524 1.00 4.45 N ATOM 0 H ARG A 92 10.922 8.272 -0.176 1.00 0.50 H new ATOM 0 HA ARG A 92 8.729 10.251 -0.207 1.00 0.55 H new ATOM 0 HB2 ARG A 92 9.806 11.047 -2.265 1.00 0.72 H new ATOM 0 HB3 ARG A 92 10.899 11.107 -0.896 1.00 0.72 H new ATOM 0 HG2 ARG A 92 11.899 8.922 -1.679 1.00 1.39 H new ATOM 0 HG3 ARG A 92 10.889 9.023 -3.108 1.00 1.39 H new ATOM 0 HD2 ARG A 92 13.012 9.940 -3.720 1.00 2.08 H new ATOM 0 HD3 ARG A 92 11.909 11.295 -3.582 1.00 2.08 H new ATOM 0 HE ARG A 92 13.156 12.129 -1.806 1.00 2.69 H new ATOM 0 HH11 ARG A 92 14.039 8.755 -2.414 1.00 4.00 H new ATOM 0 HH12 ARG A 92 15.364 8.774 -1.246 1.00 4.00 H new ATOM 0 HH21 ARG A 92 14.845 12.137 -0.303 1.00 4.45 H new ATOM 0 HH22 ARG A 92 15.818 10.683 -0.054 1.00 4.45 H new ATOM 1228 N ILE A 93 7.839 7.741 -1.062 1.00 0.46 N ATOM 1229 CA ILE A 93 6.984 6.823 -1.812 1.00 0.57 C ATOM 1230 C ILE A 93 5.823 7.577 -2.472 1.00 0.61 C ATOM 1231 O ILE A 93 5.333 7.186 -3.530 1.00 0.70 O ATOM 1232 CB ILE A 93 6.439 5.688 -0.903 1.00 0.65 C ATOM 1233 CG1 ILE A 93 5.680 4.640 -1.725 1.00 0.89 C ATOM 1234 CG2 ILE A 93 5.544 6.243 0.194 1.00 0.61 C ATOM 1235 CD1 ILE A 93 6.555 3.891 -2.708 1.00 0.97 C ATOM 0 H ILE A 93 7.848 7.578 -0.055 1.00 0.46 H new ATOM 0 HA ILE A 93 7.595 6.369 -2.592 1.00 0.57 H new ATOM 0 HB ILE A 93 7.297 5.205 -0.435 1.00 0.65 H new ATOM 0 HG12 ILE A 93 5.216 3.925 -1.046 1.00 0.89 H new ATOM 0 HG13 ILE A 93 4.874 5.132 -2.270 1.00 0.89 H new ATOM 0 HG21 ILE A 93 5.178 5.424 0.814 1.00 0.61 H new ATOM 0 HG22 ILE A 93 6.113 6.939 0.811 1.00 0.61 H new ATOM 0 HG23 ILE A 93 4.699 6.764 -0.255 1.00 0.61 H new ATOM 0 HD11 ILE A 93 5.951 3.166 -3.254 1.00 0.97 H new ATOM 0 HD12 ILE A 93 6.999 4.596 -3.411 1.00 0.97 H new ATOM 0 HD13 ILE A 93 7.346 3.370 -2.168 1.00 0.97 H new ATOM 1245 N LEU A 94 5.422 8.688 -1.856 1.00 0.60 N ATOM 1246 CA LEU A 94 4.330 9.512 -2.368 1.00 0.70 C ATOM 1247 C LEU A 94 4.673 10.136 -3.720 1.00 0.70 C ATOM 1248 O LEU A 94 3.785 10.578 -4.450 1.00 0.78 O ATOM 1249 CB LEU A 94 3.973 10.609 -1.363 1.00 0.85 C ATOM 1250 CG LEU A 94 3.391 10.115 -0.037 1.00 0.81 C ATOM 1251 CD1 LEU A 94 3.184 11.278 0.918 1.00 1.63 C ATOM 1252 CD2 LEU A 94 2.080 9.379 -0.271 1.00 1.15 C ATOM 0 H LEU A 94 5.841 9.040 -0.995 1.00 0.60 H new ATOM 0 HA LEU A 94 3.470 8.858 -2.511 1.00 0.70 H new ATOM 0 HB2 LEU A 94 4.869 11.192 -1.153 1.00 0.85 H new ATOM 0 HB3 LEU A 94 3.255 11.285 -1.827 1.00 0.85 H new ATOM 0 HG LEU A 94 4.100 9.420 0.413 1.00 0.81 H new ATOM 0 HD11 LEU A 94 2.769 10.909 1.856 1.00 1.63 H new ATOM 0 HD12 LEU A 94 4.140 11.765 1.110 1.00 1.63 H new ATOM 0 HD13 LEU A 94 2.494 11.995 0.474 1.00 1.63 H new ATOM 0 HD21 LEU A 94 1.681 9.035 0.683 1.00 1.15 H new ATOM 0 HD22 LEU A 94 1.364 10.052 -0.742 1.00 1.15 H new ATOM 0 HD23 LEU A 94 2.255 8.522 -0.921 1.00 1.15 H new ATOM 1262 N ALA A 95 5.964 10.213 -4.028 1.00 0.66 N ATOM 1263 CA ALA A 95 6.419 10.820 -5.271 1.00 0.75 C ATOM 1264 C ALA A 95 5.876 10.078 -6.487 1.00 0.69 C ATOM 1265 O ALA A 95 5.424 10.698 -7.450 1.00 0.78 O ATOM 1266 CB ALA A 95 7.938 10.869 -5.315 1.00 0.86 C ATOM 0 H ALA A 95 6.713 9.862 -3.432 1.00 0.66 H new ATOM 0 HA ALA A 95 6.033 11.839 -5.303 1.00 0.75 H new ATOM 0 HB1 ALA A 95 8.260 11.326 -6.251 1.00 0.86 H new ATOM 0 HB2 ALA A 95 8.307 11.460 -4.477 1.00 0.86 H new ATOM 0 HB3 ALA A 95 8.337 9.857 -5.249 1.00 0.86 H new ATOM 1272 N LEU A 96 5.919 8.748 -6.448 1.00 0.65 N ATOM 1273 CA LEU A 96 5.426 7.942 -7.561 1.00 0.75 C ATOM 1274 C LEU A 96 4.104 7.273 -7.213 1.00 0.80 C ATOM 1275 O LEU A 96 3.622 6.413 -7.947 1.00 0.98 O ATOM 1276 CB LEU A 96 6.456 6.886 -7.993 1.00 1.12 C ATOM 1277 CG LEU A 96 6.592 5.656 -7.085 1.00 0.80 C ATOM 1278 CD1 LEU A 96 7.320 4.541 -7.815 1.00 1.50 C ATOM 1279 CD2 LEU A 96 7.324 6.002 -5.796 1.00 1.57 C ATOM 0 H LEU A 96 6.287 8.209 -5.664 1.00 0.65 H new ATOM 0 HA LEU A 96 5.262 8.620 -8.399 1.00 0.75 H new ATOM 0 HB2 LEU A 96 6.196 6.544 -8.995 1.00 1.12 H new ATOM 0 HB3 LEU A 96 7.431 7.368 -8.064 1.00 1.12 H new ATOM 0 HG LEU A 96 5.589 5.317 -6.826 1.00 0.80 H new ATOM 0 HD11 LEU A 96 7.410 3.675 -7.159 1.00 1.50 H new ATOM 0 HD12 LEU A 96 6.759 4.264 -8.708 1.00 1.50 H new ATOM 0 HD13 LEU A 96 8.314 4.883 -8.102 1.00 1.50 H new ATOM 0 HD21 LEU A 96 7.405 5.111 -5.173 1.00 1.57 H new ATOM 0 HD22 LEU A 96 8.322 6.372 -6.032 1.00 1.57 H new ATOM 0 HD23 LEU A 96 6.770 6.771 -5.258 1.00 1.57 H new ATOM 1289 N GLY A 97 3.485 7.723 -6.138 1.00 0.85 N ATOM 1290 CA GLY A 97 2.199 7.193 -5.748 1.00 1.14 C ATOM 1291 C GLY A 97 1.517 8.077 -4.731 1.00 1.15 C ATOM 1292 O GLY A 97 1.979 8.203 -3.599 1.00 1.79 O ATOM 0 H GLY A 97 3.852 8.450 -5.524 1.00 0.85 H new ATOM 0 HA2 GLY A 97 1.564 7.094 -6.628 1.00 1.14 H new ATOM 0 HA3 GLY A 97 2.328 6.193 -5.333 1.00 1.14 H new ATOM 1296 N GLY A 98 0.450 8.730 -5.150 1.00 1.39 N ATOM 1297 CA GLY A 98 -0.241 9.655 -4.283 1.00 2.09 C ATOM 1298 C GLY A 98 -1.352 10.364 -5.013 1.00 2.41 C ATOM 1299 O GLY A 98 -2.275 9.724 -5.521 1.00 2.85 O ATOM 0 H GLY A 98 0.047 8.635 -6.082 1.00 1.39 H new ATOM 0 HA2 GLY A 98 -0.650 9.118 -3.427 1.00 2.09 H new ATOM 0 HA3 GLY A 98 0.465 10.387 -3.892 1.00 2.09 H new ATOM 1303 N LYS A 99 -1.229 11.677 -5.131 1.00 2.77 N ATOM 1304 CA LYS A 99 -2.200 12.465 -5.873 1.00 3.51 C ATOM 1305 C LYS A 99 -2.242 12.010 -7.330 1.00 3.72 C ATOM 1306 O LYS A 99 -1.213 11.609 -7.884 1.00 4.18 O ATOM 1307 CB LYS A 99 -1.874 13.960 -5.785 1.00 4.19 C ATOM 1308 CG LYS A 99 -0.509 14.336 -6.339 1.00 4.80 C ATOM 1309 CD LYS A 99 -0.234 15.823 -6.181 1.00 5.32 C ATOM 1310 CE LYS A 99 -0.215 16.233 -4.717 1.00 6.06 C ATOM 1311 NZ LYS A 99 0.013 17.692 -4.550 1.00 6.70 N ATOM 0 H LYS A 99 -0.467 12.219 -4.723 1.00 2.77 H new ATOM 0 HA LYS A 99 -3.183 12.309 -5.428 1.00 3.51 H new ATOM 0 HB2 LYS A 99 -2.639 14.519 -6.324 1.00 4.19 H new ATOM 0 HB3 LYS A 99 -1.928 14.271 -4.742 1.00 4.19 H new ATOM 0 HG2 LYS A 99 0.264 13.765 -5.824 1.00 4.80 H new ATOM 0 HG3 LYS A 99 -0.456 14.065 -7.393 1.00 4.80 H new ATOM 0 HD2 LYS A 99 0.723 16.068 -6.641 1.00 5.32 H new ATOM 0 HD3 LYS A 99 -0.997 16.394 -6.710 1.00 5.32 H new ATOM 0 HE2 LYS A 99 -1.162 15.958 -4.251 1.00 6.06 H new ATOM 0 HE3 LYS A 99 0.568 15.682 -4.196 1.00 6.06 H new ATOM 0 HZ1 LYS A 99 0.019 17.929 -3.537 1.00 6.70 H new ATOM 0 HZ2 LYS A 99 0.928 17.951 -4.971 1.00 6.70 H new ATOM 0 HZ3 LYS A 99 -0.748 18.219 -5.024 1.00 6.70 H new ATOM 1317 N GLU A 100 -3.450 11.957 -7.892 1.00 3.94 N ATOM 1318 CA GLU A 100 -3.664 11.443 -9.240 1.00 4.63 C ATOM 1319 C GLU A 100 -3.344 9.948 -9.282 1.00 5.04 C ATOM 1320 O GLU A 100 -2.334 9.554 -9.903 1.00 5.51 O ATOM 1321 CB GLU A 100 -2.818 12.225 -10.253 1.00 5.26 C ATOM 1322 CG GLU A 100 -3.216 11.999 -11.701 1.00 5.92 C ATOM 1323 CD GLU A 100 -2.424 12.867 -12.653 1.00 6.62 C ATOM 1324 OE1 GLU A 100 -1.201 12.657 -12.771 1.00 7.01 O ATOM 1325 OE2 GLU A 100 -3.023 13.746 -13.308 1.00 6.97 O ATOM 1326 OXT GLU A 100 -4.097 9.167 -8.657 1.00 5.28 O ATOM 0 H GLU A 100 -4.302 12.268 -7.426 1.00 3.94 H new ATOM 0 HA GLU A 100 -4.711 11.576 -9.513 1.00 4.63 H new ATOM 0 HB2 GLU A 100 -2.894 13.289 -10.029 1.00 5.26 H new ATOM 0 HB3 GLU A 100 -1.772 11.947 -10.128 1.00 5.26 H new ATOM 0 HG2 GLU A 100 -3.066 10.950 -11.958 1.00 5.92 H new ATOM 0 HG3 GLU A 100 -4.279 12.208 -11.821 1.00 5.92 H new TER 1329 GLU A 100