USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 669 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 55 SER OG : rot -120:sc= 1.73 USER MOD Set 1.2: A 66 THR OG1 : rot -50:sc= 1.16 USER MOD Single : A 38 THR OG1 : rot 79:sc= 0.749 USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= -0.031 (180deg=-0.139) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.415 K(o=-0.41,f=-3.2!) USER MOD Single : A 58 HIS : no HD1:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 64 SER OG : rot 86:sc= 1.2 USER MOD Single : A 67 HIS : no HE2:sc= -2.52! K(o=-2.5!,f=-3.6) USER MOD Single : A 74 SER OG : rot 130:sc= 0.412 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 84 GLN : amide:sc= -0.014 X(o=-0.014,f=-0.0052) USER MOD Single : A 86 HIS : no HE2:sc= 1.41 K(o=1.4,f=-6.7!) USER MOD Single : A 90 HIS : no HE2:sc= -0.003 K(o=-0.003,f=-1.1) USER MOD Single : A 102 HIS : no HD1:sc= -0.0016 X(o=-0.0016,f=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 113 GLN : amide:sc= -0.0282 K(o=-0.028,f=-2.2) USER MOD Single : A 117 ASN : amide:sc= -0.0636 X(o=-0.064,f=-0.066) USER MOD Single : A 118 SER OG : rot -25:sc= 0.71 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 31 -0.748 11.708 9.948 1.00 2.05 N ATOM 2 CA PRO A 31 -0.287 11.316 8.621 1.00 1.83 C ATOM 3 C PRO A 31 -1.258 10.353 7.914 1.00 1.71 C ATOM 4 O PRO A 31 -1.750 9.371 8.493 1.00 1.66 O ATOM 5 CB PRO A 31 1.099 10.685 8.833 1.00 1.82 C ATOM 6 CG PRO A 31 1.150 10.352 10.323 1.00 2.50 C ATOM 7 CD PRO A 31 0.318 11.478 10.916 1.00 2.11 C ATOM 0 HA PRO A 31 -0.236 12.180 7.958 1.00 1.83 H new ATOM 0 HB2 PRO A 31 1.224 9.790 8.223 1.00 1.82 H new ATOM 0 HB3 PRO A 31 1.895 11.375 8.554 1.00 1.82 H new ATOM 0 HG2 PRO A 31 0.726 9.371 10.539 1.00 2.50 H new ATOM 0 HG3 PRO A 31 2.170 10.349 10.708 1.00 2.50 H new ATOM 0 HD2 PRO A 31 -0.086 11.200 11.890 1.00 2.11 H new ATOM 0 HD3 PRO A 31 0.917 12.376 11.064 1.00 2.11 H new ATOM 15 N VAL A 32 -1.502 10.616 6.627 1.00 1.77 N ATOM 16 CA VAL A 32 -2.444 9.842 5.793 1.00 1.91 C ATOM 17 C VAL A 32 -2.023 8.381 5.589 1.00 1.52 C ATOM 18 O VAL A 32 -2.862 7.526 5.318 1.00 1.60 O ATOM 19 CB VAL A 32 -2.703 10.516 4.431 1.00 2.32 C ATOM 20 CG1 VAL A 32 -3.397 11.872 4.612 1.00 3.73 C ATOM 21 CG2 VAL A 32 -1.430 10.712 3.595 1.00 2.41 C ATOM 0 H VAL A 32 -1.049 11.379 6.124 1.00 1.77 H new ATOM 0 HA VAL A 32 -3.376 9.831 6.359 1.00 1.91 H new ATOM 0 HB VAL A 32 -3.352 9.831 3.886 1.00 2.32 H new ATOM 0 HG11 VAL A 32 -3.568 12.326 3.636 1.00 3.73 H new ATOM 0 HG12 VAL A 32 -4.352 11.727 5.117 1.00 3.73 H new ATOM 0 HG13 VAL A 32 -2.765 12.527 5.211 1.00 3.73 H new ATOM 0 HG21 VAL A 32 -1.686 11.191 2.650 1.00 2.41 H new ATOM 0 HG22 VAL A 32 -0.728 11.341 4.143 1.00 2.41 H new ATOM 0 HG23 VAL A 32 -0.971 9.743 3.398 1.00 2.41 H new ATOM 31 N GLU A 33 -0.745 8.057 5.783 1.00 1.18 N ATOM 32 CA GLU A 33 -0.233 6.683 5.672 1.00 1.08 C ATOM 33 C GLU A 33 -0.688 5.813 6.857 1.00 0.94 C ATOM 34 O GLU A 33 -0.983 4.627 6.717 1.00 0.90 O ATOM 35 CB GLU A 33 1.295 6.759 5.518 1.00 1.13 C ATOM 36 CG GLU A 33 2.061 6.968 6.831 1.00 1.21 C ATOM 37 CD GLU A 33 3.483 7.505 6.652 1.00 1.35 C ATOM 38 OE1 GLU A 33 3.696 8.421 5.827 1.00 2.15 O ATOM 39 OE2 GLU A 33 4.381 7.095 7.426 1.00 2.15 O ATOM 0 H GLU A 33 -0.028 8.741 6.023 1.00 1.18 H new ATOM 0 HA GLU A 33 -0.646 6.189 4.792 1.00 1.08 H new ATOM 0 HB2 GLU A 33 1.646 5.839 5.051 1.00 1.13 H new ATOM 0 HB3 GLU A 33 1.538 7.575 4.837 1.00 1.13 H new ATOM 0 HG2 GLU A 33 1.500 7.660 7.459 1.00 1.21 H new ATOM 0 HG3 GLU A 33 2.108 6.019 7.366 1.00 1.21 H new ATOM 46 N ALA A 34 -0.822 6.450 8.018 1.00 0.98 N ATOM 47 CA ALA A 34 -1.354 5.881 9.249 1.00 1.06 C ATOM 48 C ALA A 34 -2.901 5.908 9.277 1.00 1.12 C ATOM 49 O ALA A 34 -3.545 4.981 9.789 1.00 1.13 O ATOM 50 CB ALA A 34 -0.684 6.645 10.387 1.00 1.45 C ATOM 0 H ALA A 34 -0.548 7.426 8.129 1.00 0.98 H new ATOM 0 HA ALA A 34 -1.126 4.819 9.344 1.00 1.06 H new ATOM 0 HB1 ALA A 34 -1.043 6.263 11.343 1.00 1.45 H new ATOM 0 HB2 ALA A 34 0.396 6.514 10.327 1.00 1.45 H new ATOM 0 HB3 ALA A 34 -0.926 7.705 10.306 1.00 1.45 H new ATOM 56 N ALA A 35 -3.511 6.919 8.641 1.00 1.32 N ATOM 57 CA ALA A 35 -4.950 6.907 8.348 1.00 1.57 C ATOM 58 C ALA A 35 -5.372 5.693 7.489 1.00 1.55 C ATOM 59 O ALA A 35 -6.322 4.981 7.850 1.00 1.63 O ATOM 60 CB ALA A 35 -5.330 8.220 7.659 1.00 1.82 C ATOM 0 H ALA A 35 -3.027 7.757 8.319 1.00 1.32 H new ATOM 0 HA ALA A 35 -5.487 6.813 9.292 1.00 1.57 H new ATOM 0 HB1 ALA A 35 -6.397 8.219 7.438 1.00 1.82 H new ATOM 0 HB2 ALA A 35 -5.096 9.057 8.317 1.00 1.82 H new ATOM 0 HB3 ALA A 35 -4.767 8.320 6.731 1.00 1.82 H new ATOM 66 N ILE A 36 -4.647 5.406 6.393 1.00 1.52 N ATOM 67 CA ILE A 36 -4.938 4.211 5.589 1.00 1.68 C ATOM 68 C ILE A 36 -4.520 2.916 6.284 1.00 1.32 C ATOM 69 O ILE A 36 -5.321 2.001 6.261 1.00 1.41 O ATOM 70 CB ILE A 36 -4.492 4.249 4.121 1.00 2.11 C ATOM 71 CG1 ILE A 36 -2.995 4.018 4.038 1.00 1.87 C ATOM 72 CG2 ILE A 36 -5.047 5.454 3.361 1.00 4.25 C ATOM 73 CD1 ILE A 36 -2.282 4.504 2.783 1.00 2.07 C ATOM 0 H ILE A 36 -3.872 5.973 6.051 1.00 1.52 H new ATOM 0 HA ILE A 36 -6.026 4.225 5.524 1.00 1.68 H new ATOM 0 HB ILE A 36 -4.943 3.422 3.573 1.00 2.11 H new ATOM 0 HG12 ILE A 36 -2.531 4.501 4.898 1.00 1.87 H new ATOM 0 HG13 ILE A 36 -2.813 2.948 4.137 1.00 1.87 H new ATOM 0 HG21 ILE A 36 -4.697 5.426 2.329 1.00 4.25 H new ATOM 0 HG22 ILE A 36 -6.136 5.423 3.376 1.00 4.25 H new ATOM 0 HG23 ILE A 36 -4.704 6.373 3.836 1.00 4.25 H new ATOM 0 HD11 ILE A 36 -1.219 4.275 2.857 1.00 2.07 H new ATOM 0 HD12 ILE A 36 -2.701 4.004 1.910 1.00 2.07 H new ATOM 0 HD13 ILE A 36 -2.415 5.581 2.683 1.00 2.07 H new ATOM 85 N ARG A 37 -3.367 2.816 6.966 1.00 1.03 N ATOM 86 CA ARG A 37 -3.066 1.708 7.909 1.00 0.90 C ATOM 87 C ARG A 37 -4.304 1.329 8.722 1.00 0.88 C ATOM 88 O ARG A 37 -4.772 0.198 8.630 1.00 0.87 O ATOM 89 CB ARG A 37 -1.890 2.105 8.815 1.00 0.86 C ATOM 90 CG ARG A 37 -1.313 0.947 9.635 1.00 1.74 C ATOM 91 CD ARG A 37 -2.089 0.501 10.876 1.00 3.08 C ATOM 92 NE ARG A 37 -1.946 1.478 11.962 1.00 3.62 N ATOM 93 CZ ARG A 37 -2.642 1.538 13.075 1.00 5.07 C ATOM 94 NH1 ARG A 37 -3.538 0.661 13.410 1.00 6.25 N ATOM 95 NH2 ARG A 37 -2.432 2.525 13.886 1.00 5.77 N ATOM 0 H ARG A 37 -2.612 3.497 6.884 1.00 1.03 H new ATOM 0 HA ARG A 37 -2.777 0.824 7.340 1.00 0.90 H new ATOM 0 HB2 ARG A 37 -1.098 2.530 8.198 1.00 0.86 H new ATOM 0 HB3 ARG A 37 -2.219 2.890 9.496 1.00 0.86 H new ATOM 0 HG2 ARG A 37 -1.212 0.086 8.975 1.00 1.74 H new ATOM 0 HG3 ARG A 37 -0.308 1.227 9.950 1.00 1.74 H new ATOM 0 HD2 ARG A 37 -3.143 0.380 10.627 1.00 3.08 H new ATOM 0 HD3 ARG A 37 -1.726 -0.472 11.207 1.00 3.08 H new ATOM 0 HE ARG A 37 -1.226 2.190 11.839 1.00 3.62 H new ATOM 0 HH11 ARG A 37 -3.734 -0.129 12.795 1.00 6.25 H new ATOM 0 HH12 ARG A 37 -4.047 0.761 14.288 1.00 6.25 H new ATOM 0 HH21 ARG A 37 -1.738 3.236 13.655 1.00 5.77 H new ATOM 0 HH22 ARG A 37 -2.961 2.592 14.756 1.00 5.77 H new ATOM 109 N THR A 38 -4.885 2.299 9.425 1.00 0.96 N ATOM 110 CA THR A 38 -6.154 2.111 10.159 1.00 1.06 C ATOM 111 C THR A 38 -7.307 1.608 9.259 1.00 1.12 C ATOM 112 O THR A 38 -7.892 0.566 9.566 1.00 1.11 O ATOM 113 CB THR A 38 -6.557 3.388 10.917 1.00 1.24 C ATOM 114 OG1 THR A 38 -5.456 3.892 11.646 1.00 1.14 O ATOM 115 CG2 THR A 38 -7.658 3.123 11.943 1.00 1.69 C ATOM 0 H THR A 38 -4.498 3.239 9.508 1.00 0.96 H new ATOM 0 HA THR A 38 -5.969 1.323 10.889 1.00 1.06 H new ATOM 0 HB THR A 38 -6.906 4.092 10.161 1.00 1.24 H new ATOM 0 HG1 THR A 38 -4.857 4.377 11.041 1.00 1.14 H new ATOM 0 HG21 THR A 38 -7.911 4.052 12.454 1.00 1.69 H new ATOM 0 HG22 THR A 38 -8.542 2.736 11.436 1.00 1.69 H new ATOM 0 HG23 THR A 38 -7.308 2.392 12.672 1.00 1.69 H new ATOM 123 N LYS A 39 -7.599 2.258 8.117 1.00 1.23 N ATOM 124 CA LYS A 39 -8.667 1.831 7.170 1.00 1.33 C ATOM 125 C LYS A 39 -8.453 0.420 6.596 1.00 1.27 C ATOM 126 O LYS A 39 -9.414 -0.321 6.412 1.00 1.30 O ATOM 127 CB LYS A 39 -8.770 2.868 6.031 1.00 1.43 C ATOM 128 CG LYS A 39 -9.823 2.619 4.928 1.00 1.88 C ATOM 129 CD LYS A 39 -11.297 2.773 5.349 1.00 2.83 C ATOM 130 CE LYS A 39 -11.973 1.492 5.855 1.00 4.20 C ATOM 131 NZ LYS A 39 -12.247 0.517 4.773 1.00 4.93 N ATOM 0 H LYS A 39 -7.104 3.098 7.817 1.00 1.23 H new ATOM 0 HA LYS A 39 -9.600 1.782 7.732 1.00 1.33 H new ATOM 0 HB2 LYS A 39 -8.977 3.840 6.479 1.00 1.43 H new ATOM 0 HB3 LYS A 39 -7.793 2.939 5.553 1.00 1.43 H new ATOM 0 HG2 LYS A 39 -9.628 3.307 4.106 1.00 1.88 H new ATOM 0 HG3 LYS A 39 -9.681 1.610 4.540 1.00 1.88 H new ATOM 0 HD2 LYS A 39 -11.357 3.529 6.132 1.00 2.83 H new ATOM 0 HD3 LYS A 39 -11.863 3.151 4.498 1.00 2.83 H new ATOM 0 HE2 LYS A 39 -11.337 1.024 6.606 1.00 4.20 H new ATOM 0 HE3 LYS A 39 -12.910 1.752 6.348 1.00 4.20 H new ATOM 0 HZ1 LYS A 39 -12.577 -0.378 5.187 1.00 4.93 H new ATOM 0 HZ2 LYS A 39 -12.980 0.897 4.141 1.00 4.93 H new ATOM 0 HZ3 LYS A 39 -11.376 0.347 4.230 1.00 4.93 H new ATOM 145 N LEU A 40 -7.208 0.039 6.328 1.00 1.17 N ATOM 146 CA LEU A 40 -6.789 -1.220 5.709 1.00 1.02 C ATOM 147 C LEU A 40 -6.801 -2.372 6.731 1.00 0.95 C ATOM 148 O LEU A 40 -7.209 -3.485 6.394 1.00 0.95 O ATOM 149 CB LEU A 40 -5.398 -1.010 5.065 1.00 1.03 C ATOM 150 CG LEU A 40 -5.354 -0.357 3.656 1.00 1.06 C ATOM 151 CD1 LEU A 40 -5.632 -1.418 2.592 1.00 1.03 C ATOM 152 CD2 LEU A 40 -6.313 0.801 3.382 1.00 1.47 C ATOM 0 H LEU A 40 -6.412 0.637 6.550 1.00 1.17 H new ATOM 0 HA LEU A 40 -7.493 -1.508 4.929 1.00 1.02 H new ATOM 0 HB2 LEU A 40 -4.804 -0.394 5.740 1.00 1.03 H new ATOM 0 HB3 LEU A 40 -4.906 -1.981 5.002 1.00 1.03 H new ATOM 0 HG LEU A 40 -4.352 0.070 3.618 1.00 1.06 H new ATOM 0 HD11 LEU A 40 -5.601 -0.959 1.604 1.00 1.03 H new ATOM 0 HD12 LEU A 40 -4.876 -2.201 2.652 1.00 1.03 H new ATOM 0 HD13 LEU A 40 -6.618 -1.852 2.760 1.00 1.03 H new ATOM 0 HD21 LEU A 40 -6.171 1.157 2.362 1.00 1.47 H new ATOM 0 HD22 LEU A 40 -7.341 0.460 3.508 1.00 1.47 H new ATOM 0 HD23 LEU A 40 -6.112 1.613 4.081 1.00 1.47 H new ATOM 164 N GLU A 41 -6.449 -2.111 7.996 1.00 0.94 N ATOM 165 CA GLU A 41 -6.706 -3.047 9.098 1.00 0.98 C ATOM 166 C GLU A 41 -8.215 -3.250 9.338 1.00 1.08 C ATOM 167 O GLU A 41 -8.666 -4.383 9.523 1.00 1.13 O ATOM 168 CB GLU A 41 -5.980 -2.610 10.383 1.00 1.11 C ATOM 169 CG GLU A 41 -4.451 -2.761 10.320 1.00 1.30 C ATOM 170 CD GLU A 41 -3.853 -2.963 11.713 1.00 1.95 C ATOM 171 OE1 GLU A 41 -3.389 -4.100 11.983 1.00 3.24 O ATOM 172 OE2 GLU A 41 -3.884 -2.015 12.538 1.00 2.25 O ATOM 0 H GLU A 41 -5.981 -1.251 8.283 1.00 0.94 H new ATOM 0 HA GLU A 41 -6.299 -4.014 8.804 1.00 0.98 H new ATOM 0 HB2 GLU A 41 -6.224 -1.568 10.589 1.00 1.11 H new ATOM 0 HB3 GLU A 41 -6.359 -3.197 11.220 1.00 1.11 H new ATOM 0 HG2 GLU A 41 -4.193 -3.609 9.685 1.00 1.30 H new ATOM 0 HG3 GLU A 41 -4.015 -1.874 9.860 1.00 1.30 H new ATOM 179 N GLU A 42 -9.016 -2.188 9.217 1.00 1.16 N ATOM 180 CA GLU A 42 -10.476 -2.239 9.296 1.00 1.33 C ATOM 181 C GLU A 42 -11.096 -2.977 8.086 1.00 1.38 C ATOM 182 O GLU A 42 -12.114 -3.652 8.236 1.00 1.51 O ATOM 183 CB GLU A 42 -10.946 -0.784 9.497 1.00 1.50 C ATOM 184 CG GLU A 42 -12.329 -0.430 8.971 1.00 1.65 C ATOM 185 CD GLU A 42 -12.704 1.000 9.391 1.00 2.29 C ATOM 186 OE1 GLU A 42 -13.508 1.155 10.343 1.00 3.52 O ATOM 187 OE2 GLU A 42 -12.177 1.977 8.806 1.00 3.04 O ATOM 0 H GLU A 42 -8.657 -1.247 9.058 1.00 1.16 H new ATOM 0 HA GLU A 42 -10.825 -2.837 10.138 1.00 1.33 H new ATOM 0 HB2 GLU A 42 -10.922 -0.564 10.564 1.00 1.50 H new ATOM 0 HB3 GLU A 42 -10.222 -0.124 9.019 1.00 1.50 H new ATOM 0 HG2 GLU A 42 -12.346 -0.514 7.884 1.00 1.65 H new ATOM 0 HG3 GLU A 42 -13.065 -1.135 9.357 1.00 1.65 H new ATOM 194 N ALA A 43 -10.466 -2.923 6.909 1.00 1.34 N ATOM 195 CA ALA A 43 -10.957 -3.552 5.682 1.00 1.44 C ATOM 196 C ALA A 43 -10.586 -5.034 5.517 1.00 1.36 C ATOM 197 O ALA A 43 -11.468 -5.852 5.245 1.00 1.51 O ATOM 198 CB ALA A 43 -10.442 -2.741 4.498 1.00 1.50 C ATOM 0 H ALA A 43 -9.582 -2.430 6.781 1.00 1.34 H new ATOM 0 HA ALA A 43 -12.046 -3.549 5.736 1.00 1.44 H new ATOM 0 HB1 ALA A 43 -10.794 -3.189 3.569 1.00 1.50 H new ATOM 0 HB2 ALA A 43 -10.811 -1.718 4.570 1.00 1.50 H new ATOM 0 HB3 ALA A 43 -9.352 -2.735 4.508 1.00 1.50 H new ATOM 204 N LEU A 44 -9.301 -5.399 5.639 1.00 1.19 N ATOM 205 CA LEU A 44 -8.817 -6.769 5.411 1.00 1.27 C ATOM 206 C LEU A 44 -7.914 -7.339 6.517 1.00 1.16 C ATOM 207 O LEU A 44 -7.590 -8.524 6.469 1.00 1.38 O ATOM 208 CB LEU A 44 -8.188 -6.914 4.010 1.00 1.37 C ATOM 209 CG LEU A 44 -6.864 -6.164 3.773 1.00 1.26 C ATOM 210 CD1 LEU A 44 -5.984 -6.918 2.777 1.00 1.62 C ATOM 211 CD2 LEU A 44 -7.117 -4.781 3.189 1.00 1.85 C ATOM 0 H LEU A 44 -8.562 -4.746 5.901 1.00 1.19 H new ATOM 0 HA LEU A 44 -9.709 -7.394 5.456 1.00 1.27 H new ATOM 0 HB2 LEU A 44 -8.019 -7.974 3.819 1.00 1.37 H new ATOM 0 HB3 LEU A 44 -8.913 -6.569 3.273 1.00 1.37 H new ATOM 0 HG LEU A 44 -6.370 -6.085 4.741 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -5.054 -6.370 2.625 1.00 1.62 H new ATOM 0 HD12 LEU A 44 -5.760 -7.911 3.168 1.00 1.62 H new ATOM 0 HD13 LEU A 44 -6.509 -7.012 1.826 1.00 1.62 H new ATOM 0 HD21 LEU A 44 -6.166 -4.273 3.031 1.00 1.85 H new ATOM 0 HD22 LEU A 44 -7.639 -4.878 2.237 1.00 1.85 H new ATOM 0 HD23 LEU A 44 -7.728 -4.200 3.880 1.00 1.85 H new ATOM 223 N SER A 45 -7.503 -6.530 7.499 1.00 0.99 N ATOM 224 CA SER A 45 -6.587 -6.929 8.581 1.00 1.04 C ATOM 225 C SER A 45 -5.283 -7.599 8.077 1.00 0.89 C ATOM 226 O SER A 45 -5.135 -8.823 8.176 1.00 1.07 O ATOM 227 CB SER A 45 -7.329 -7.759 9.625 1.00 1.46 C ATOM 228 OG SER A 45 -6.480 -8.107 10.707 1.00 2.83 O ATOM 0 H SER A 45 -7.803 -5.557 7.568 1.00 0.99 H new ATOM 0 HA SER A 45 -6.242 -6.017 9.067 1.00 1.04 H new ATOM 0 HB2 SER A 45 -8.185 -7.197 9.998 1.00 1.46 H new ATOM 0 HB3 SER A 45 -7.720 -8.665 9.161 1.00 1.46 H new ATOM 0 HG SER A 45 -6.983 -8.637 11.360 1.00 2.83 H new ATOM 234 N PRO A 46 -4.322 -6.829 7.520 1.00 0.73 N ATOM 235 CA PRO A 46 -2.965 -7.297 7.218 1.00 0.66 C ATOM 236 C PRO A 46 -2.276 -8.025 8.379 1.00 0.68 C ATOM 237 O PRO A 46 -2.545 -7.759 9.555 1.00 0.85 O ATOM 238 CB PRO A 46 -2.147 -6.038 6.922 1.00 0.75 C ATOM 239 CG PRO A 46 -3.154 -4.972 6.526 1.00 0.79 C ATOM 240 CD PRO A 46 -4.442 -5.410 7.218 1.00 0.79 C ATOM 0 HA PRO A 46 -3.028 -8.010 6.396 1.00 0.66 H new ATOM 0 HB2 PRO A 46 -1.575 -5.729 7.797 1.00 0.75 H new ATOM 0 HB3 PRO A 46 -1.431 -6.217 6.120 1.00 0.75 H new ATOM 0 HG2 PRO A 46 -2.839 -3.982 6.857 1.00 0.79 H new ATOM 0 HG3 PRO A 46 -3.279 -4.922 5.444 1.00 0.79 H new ATOM 0 HD2 PRO A 46 -4.599 -4.837 8.132 1.00 0.79 H new ATOM 0 HD3 PRO A 46 -5.303 -5.227 6.575 1.00 0.79 H new ATOM 248 N GLU A 47 -1.277 -8.843 8.051 1.00 0.67 N ATOM 249 CA GLU A 47 -0.213 -9.180 8.984 1.00 0.66 C ATOM 250 C GLU A 47 0.880 -8.108 8.998 1.00 0.71 C ATOM 251 O GLU A 47 1.542 -7.922 10.020 1.00 0.85 O ATOM 252 CB GLU A 47 0.444 -10.478 8.527 1.00 0.70 C ATOM 253 CG GLU A 47 1.006 -11.258 9.704 1.00 0.80 C ATOM 254 CD GLU A 47 0.020 -12.340 10.171 1.00 1.31 C ATOM 255 OE1 GLU A 47 0.376 -13.543 10.183 1.00 2.47 O ATOM 256 OE2 GLU A 47 -1.129 -11.993 10.536 1.00 2.30 O ATOM 0 H GLU A 47 -1.186 -9.286 7.137 1.00 0.67 H new ATOM 0 HA GLU A 47 -0.654 -9.266 9.977 1.00 0.66 H new ATOM 0 HB2 GLU A 47 -0.286 -11.090 7.998 1.00 0.70 H new ATOM 0 HB3 GLU A 47 1.244 -10.254 7.821 1.00 0.70 H new ATOM 0 HG2 GLU A 47 1.951 -11.721 9.420 1.00 0.80 H new ATOM 0 HG3 GLU A 47 1.220 -10.576 10.527 1.00 0.80 H new ATOM 263 N VAL A 48 1.125 -7.465 7.846 1.00 0.74 N ATOM 264 CA VAL A 48 2.322 -6.647 7.646 1.00 0.91 C ATOM 265 C VAL A 48 2.041 -5.412 6.792 1.00 0.98 C ATOM 266 O VAL A 48 1.347 -5.495 5.775 1.00 1.40 O ATOM 267 CB VAL A 48 3.483 -7.457 7.025 1.00 1.35 C ATOM 268 CG1 VAL A 48 4.729 -7.217 7.814 1.00 0.67 C ATOM 269 CG2 VAL A 48 3.439 -8.997 7.030 1.00 2.54 C ATOM 0 H VAL A 48 0.504 -7.499 7.038 1.00 0.74 H new ATOM 0 HA VAL A 48 2.624 -6.316 8.640 1.00 0.91 H new ATOM 0 HB VAL A 48 3.423 -7.109 5.994 1.00 1.35 H new ATOM 0 HG11 VAL A 48 5.550 -7.787 7.379 1.00 0.67 H new ATOM 0 HG12 VAL A 48 4.973 -6.155 7.794 1.00 0.67 H new ATOM 0 HG13 VAL A 48 4.573 -7.534 8.845 1.00 0.67 H new ATOM 0 HG21 VAL A 48 4.337 -9.388 6.552 1.00 2.54 H new ATOM 0 HG22 VAL A 48 3.389 -9.356 8.058 1.00 2.54 H new ATOM 0 HG23 VAL A 48 2.560 -9.338 6.483 1.00 2.54 H new ATOM 279 N LEU A 49 2.590 -4.271 7.207 1.00 0.80 N ATOM 280 CA LEU A 49 2.379 -2.959 6.593 1.00 0.72 C ATOM 281 C LEU A 49 3.609 -2.070 6.849 1.00 0.75 C ATOM 282 O LEU A 49 3.883 -1.731 8.001 1.00 0.94 O ATOM 283 CB LEU A 49 1.100 -2.380 7.233 1.00 1.29 C ATOM 284 CG LEU A 49 0.473 -1.080 6.706 1.00 1.04 C ATOM 285 CD1 LEU A 49 1.363 0.150 6.852 1.00 2.07 C ATOM 286 CD2 LEU A 49 -0.003 -1.181 5.266 1.00 1.29 C ATOM 0 H LEU A 49 3.218 -4.233 8.010 1.00 0.80 H new ATOM 0 HA LEU A 49 2.255 -3.020 5.512 1.00 0.72 H new ATOM 0 HB2 LEU A 49 0.334 -3.153 7.171 1.00 1.29 H new ATOM 0 HB3 LEU A 49 1.313 -2.226 8.291 1.00 1.29 H new ATOM 0 HG LEU A 49 -0.392 -0.945 7.355 1.00 1.04 H new ATOM 0 HD11 LEU A 49 0.845 1.023 6.456 1.00 2.07 H new ATOM 0 HD12 LEU A 49 1.592 0.311 7.906 1.00 2.07 H new ATOM 0 HD13 LEU A 49 2.290 -0.004 6.299 1.00 2.07 H new ATOM 0 HD21 LEU A 49 -0.435 -0.229 4.958 1.00 1.29 H new ATOM 0 HD22 LEU A 49 0.841 -1.423 4.620 1.00 1.29 H new ATOM 0 HD23 LEU A 49 -0.757 -1.964 5.186 1.00 1.29 H new ATOM 298 N GLU A 50 4.347 -1.687 5.803 1.00 0.78 N ATOM 299 CA GLU A 50 5.517 -0.798 5.915 1.00 0.77 C ATOM 300 C GLU A 50 5.615 0.152 4.719 1.00 0.73 C ATOM 301 O GLU A 50 5.609 -0.281 3.566 1.00 0.80 O ATOM 302 CB GLU A 50 6.803 -1.609 5.965 1.00 0.83 C ATOM 303 CG GLU A 50 6.910 -2.561 7.161 1.00 0.90 C ATOM 304 CD GLU A 50 8.299 -3.186 7.319 1.00 1.37 C ATOM 305 OE1 GLU A 50 9.146 -3.131 6.393 1.00 2.52 O ATOM 306 OE2 GLU A 50 8.542 -3.765 8.407 1.00 2.33 O ATOM 0 H GLU A 50 4.152 -1.984 4.847 1.00 0.78 H new ATOM 0 HA GLU A 50 5.388 -0.224 6.833 1.00 0.77 H new ATOM 0 HB2 GLU A 50 6.887 -2.190 5.046 1.00 0.83 H new ATOM 0 HB3 GLU A 50 7.649 -0.923 5.987 1.00 0.83 H new ATOM 0 HG2 GLU A 50 6.659 -2.018 8.072 1.00 0.90 H new ATOM 0 HG3 GLU A 50 6.173 -3.356 7.050 1.00 0.90 H new ATOM 313 N LEU A 51 5.623 1.455 4.978 1.00 0.70 N ATOM 314 CA LEU A 51 5.416 2.479 3.944 1.00 0.66 C ATOM 315 C LEU A 51 6.080 3.848 4.210 1.00 0.78 C ATOM 316 O LEU A 51 6.367 4.193 5.359 1.00 0.98 O ATOM 317 CB LEU A 51 3.908 2.524 3.633 1.00 0.68 C ATOM 318 CG LEU A 51 3.007 3.353 4.544 1.00 0.88 C ATOM 319 CD1 LEU A 51 1.539 3.030 4.247 1.00 1.24 C ATOM 320 CD2 LEU A 51 3.226 3.167 6.046 1.00 0.96 C ATOM 0 H LEU A 51 5.773 1.838 5.911 1.00 0.70 H new ATOM 0 HA LEU A 51 5.960 2.187 3.046 1.00 0.66 H new ATOM 0 HB2 LEU A 51 3.789 2.899 2.617 1.00 0.68 H new ATOM 0 HB3 LEU A 51 3.536 1.499 3.640 1.00 0.68 H new ATOM 0 HG LEU A 51 3.272 4.386 4.318 1.00 0.88 H new ATOM 0 HD11 LEU A 51 0.897 3.623 4.898 1.00 1.24 H new ATOM 0 HD12 LEU A 51 1.318 3.267 3.206 1.00 1.24 H new ATOM 0 HD13 LEU A 51 1.357 1.970 4.425 1.00 1.24 H new ATOM 0 HD21 LEU A 51 2.533 3.803 6.596 1.00 0.96 H new ATOM 0 HD22 LEU A 51 3.052 2.125 6.313 1.00 0.96 H new ATOM 0 HD23 LEU A 51 4.250 3.440 6.301 1.00 0.96 H new ATOM 332 N ARG A 52 6.296 4.650 3.157 1.00 0.74 N ATOM 333 CA ARG A 52 6.875 6.009 3.199 1.00 0.88 C ATOM 334 C ARG A 52 6.304 6.867 2.066 1.00 0.80 C ATOM 335 O ARG A 52 5.955 6.349 1.005 1.00 0.80 O ATOM 336 CB ARG A 52 8.414 5.977 3.046 1.00 1.11 C ATOM 337 CG ARG A 52 9.205 5.370 4.218 1.00 1.92 C ATOM 338 CD ARG A 52 9.545 3.886 4.026 1.00 3.13 C ATOM 339 NE ARG A 52 10.246 3.341 5.202 1.00 4.71 N ATOM 340 CZ ARG A 52 10.682 2.106 5.364 1.00 6.56 C ATOM 341 NH1 ARG A 52 10.517 1.178 4.468 1.00 7.46 N ATOM 342 NH2 ARG A 52 11.309 1.783 6.452 1.00 7.93 N ATOM 0 H ARG A 52 6.063 4.359 2.208 1.00 0.74 H new ATOM 0 HA ARG A 52 6.617 6.434 4.169 1.00 0.88 H new ATOM 0 HB2 ARG A 52 8.656 5.416 2.143 1.00 1.11 H new ATOM 0 HB3 ARG A 52 8.763 6.998 2.890 1.00 1.11 H new ATOM 0 HG2 ARG A 52 10.130 5.932 4.351 1.00 1.92 H new ATOM 0 HG3 ARG A 52 8.627 5.486 5.135 1.00 1.92 H new ATOM 0 HD2 ARG A 52 8.630 3.321 3.851 1.00 3.13 H new ATOM 0 HD3 ARG A 52 10.168 3.765 3.140 1.00 3.13 H new ATOM 0 HE ARG A 52 10.412 3.987 5.973 1.00 4.71 H new ATOM 0 HH11 ARG A 52 10.033 1.391 3.596 1.00 7.46 H new ATOM 0 HH12 ARG A 52 10.872 0.237 4.637 1.00 7.46 H new ATOM 0 HH21 ARG A 52 11.463 2.482 7.178 1.00 7.93 H new ATOM 0 HH22 ARG A 52 11.648 0.830 6.582 1.00 7.93 H new ATOM 356 N ASN A 53 6.261 8.187 2.241 1.00 0.81 N ATOM 357 CA ASN A 53 6.045 9.130 1.145 1.00 0.73 C ATOM 358 C ASN A 53 7.377 9.683 0.601 1.00 0.79 C ATOM 359 O ASN A 53 8.295 9.973 1.368 1.00 1.01 O ATOM 360 CB ASN A 53 4.944 10.128 1.548 1.00 0.83 C ATOM 361 CG ASN A 53 5.356 11.499 2.070 1.00 1.08 C ATOM 362 OD1 ASN A 53 6.301 12.138 1.626 1.00 1.75 O ATOM 363 ND2 ASN A 53 4.578 12.045 2.968 1.00 0.94 N ATOM 0 H ASN A 53 6.375 8.634 3.151 1.00 0.81 H new ATOM 0 HA ASN A 53 5.645 8.642 0.257 1.00 0.73 H new ATOM 0 HB2 ASN A 53 4.304 10.283 0.679 1.00 0.83 H new ATOM 0 HB3 ASN A 53 4.331 9.653 2.314 1.00 0.83 H new ATOM 0 HD21 ASN A 53 4.761 12.995 3.292 1.00 0.94 H new ATOM 0 HD22 ASN A 53 3.788 11.521 3.344 1.00 0.94 H new ATOM 370 N GLU A 54 7.487 9.782 -0.725 1.00 0.80 N ATOM 371 CA GLU A 54 8.714 10.139 -1.474 1.00 0.94 C ATOM 372 C GLU A 54 8.618 11.506 -2.184 1.00 0.80 C ATOM 373 O GLU A 54 9.560 11.972 -2.822 1.00 0.93 O ATOM 374 CB GLU A 54 9.070 8.998 -2.448 1.00 1.23 C ATOM 375 CG GLU A 54 8.031 8.831 -3.568 1.00 2.08 C ATOM 376 CD GLU A 54 8.327 7.664 -4.514 1.00 2.66 C ATOM 377 OE1 GLU A 54 8.827 6.596 -4.098 1.00 3.11 O ATOM 378 OE2 GLU A 54 7.997 7.783 -5.717 1.00 3.55 O ATOM 0 H GLU A 54 6.693 9.610 -1.342 1.00 0.80 H new ATOM 0 HA GLU A 54 9.524 10.256 -0.754 1.00 0.94 H new ATOM 0 HB2 GLU A 54 10.047 9.194 -2.890 1.00 1.23 H new ATOM 0 HB3 GLU A 54 9.153 8.064 -1.893 1.00 1.23 H new ATOM 0 HG2 GLU A 54 7.048 8.684 -3.120 1.00 2.08 H new ATOM 0 HG3 GLU A 54 7.983 9.753 -4.147 1.00 2.08 H new ATOM 385 N SER A 55 7.459 12.157 -2.074 1.00 0.67 N ATOM 386 CA SER A 55 7.116 13.458 -2.652 1.00 0.73 C ATOM 387 C SER A 55 8.083 14.608 -2.329 1.00 1.02 C ATOM 388 O SER A 55 8.195 15.536 -3.129 1.00 1.35 O ATOM 389 CB SER A 55 5.703 13.747 -2.165 1.00 0.72 C ATOM 390 OG SER A 55 5.118 14.882 -2.768 1.00 2.17 O ATOM 0 H SER A 55 6.682 11.763 -1.543 1.00 0.67 H new ATOM 0 HA SER A 55 7.192 13.400 -3.738 1.00 0.73 H new ATOM 0 HB2 SER A 55 5.075 12.878 -2.361 1.00 0.72 H new ATOM 0 HB3 SER A 55 5.722 13.889 -1.084 1.00 0.72 H new ATOM 0 HG SER A 55 4.892 15.539 -2.077 1.00 2.17 H new ATOM 396 N GLY A 56 8.885 14.521 -1.262 1.00 1.07 N ATOM 397 CA GLY A 56 9.948 15.501 -0.998 1.00 1.31 C ATOM 398 C GLY A 56 11.101 15.447 -2.014 1.00 1.33 C ATOM 399 O GLY A 56 11.851 16.412 -2.142 1.00 1.58 O ATOM 0 H GLY A 56 8.819 13.780 -0.564 1.00 1.07 H new ATOM 0 HA2 GLY A 56 9.517 16.502 -1.003 1.00 1.31 H new ATOM 0 HA3 GLY A 56 10.347 15.331 0.002 1.00 1.31 H new ATOM 403 N GLY A 57 11.200 14.371 -2.805 1.00 1.21 N ATOM 404 CA GLY A 57 12.071 14.270 -3.981 1.00 1.43 C ATOM 405 C GLY A 57 11.593 15.055 -5.213 1.00 1.63 C ATOM 406 O GLY A 57 12.312 15.112 -6.217 1.00 2.68 O ATOM 0 H GLY A 57 10.660 13.522 -2.639 1.00 1.21 H new ATOM 0 HA2 GLY A 57 13.066 14.622 -3.709 1.00 1.43 H new ATOM 0 HA3 GLY A 57 12.168 13.219 -4.254 1.00 1.43 H new ATOM 410 N HIS A 58 10.398 15.649 -5.151 1.00 1.11 N ATOM 411 CA HIS A 58 9.769 16.449 -6.206 1.00 1.18 C ATOM 412 C HIS A 58 9.757 17.933 -5.810 1.00 1.34 C ATOM 413 O HIS A 58 9.765 18.280 -4.624 1.00 1.73 O ATOM 414 CB HIS A 58 8.365 15.882 -6.506 1.00 1.09 C ATOM 415 CG HIS A 58 8.440 14.459 -7.014 1.00 1.14 C ATOM 416 ND1 HIS A 58 8.528 14.064 -8.332 1.00 1.46 N ATOM 417 CD2 HIS A 58 8.596 13.328 -6.253 1.00 1.05 C ATOM 418 CE1 HIS A 58 8.736 12.739 -8.358 1.00 1.56 C ATOM 419 NE2 HIS A 58 8.805 12.246 -7.110 1.00 1.33 N ATOM 0 H HIS A 58 9.812 15.581 -4.319 1.00 1.11 H new ATOM 0 HA HIS A 58 10.345 16.386 -7.129 1.00 1.18 H new ATOM 0 HB2 HIS A 58 7.757 15.915 -5.602 1.00 1.09 H new ATOM 0 HB3 HIS A 58 7.869 16.509 -7.247 1.00 1.09 H new ATOM 0 HD2 HIS A 58 8.563 13.283 -5.174 1.00 1.05 H new ATOM 0 HE1 HIS A 58 8.834 12.150 -9.258 1.00 1.56 H new ATOM 0 HE2 HIS A 58 8.976 11.277 -6.843 1.00 1.33 H new ATOM 427 N ALA A 59 9.718 18.827 -6.801 1.00 1.94 N ATOM 428 CA ALA A 59 9.800 20.283 -6.615 1.00 2.23 C ATOM 429 C ALA A 59 8.507 20.929 -6.068 1.00 2.08 C ATOM 430 O ALA A 59 8.301 22.137 -6.212 1.00 2.53 O ATOM 431 CB ALA A 59 10.250 20.904 -7.942 1.00 2.62 C ATOM 0 H ALA A 59 9.626 18.555 -7.780 1.00 1.94 H new ATOM 0 HA ALA A 59 10.532 20.488 -5.834 1.00 2.23 H new ATOM 0 HB1 ALA A 59 10.319 21.986 -7.832 1.00 2.62 H new ATOM 0 HB2 ALA A 59 11.226 20.504 -8.219 1.00 2.62 H new ATOM 0 HB3 ALA A 59 9.526 20.664 -8.720 1.00 2.62 H new ATOM 437 N VAL A 60 7.629 20.129 -5.463 1.00 1.73 N ATOM 438 CA VAL A 60 6.282 20.495 -5.007 1.00 1.63 C ATOM 439 C VAL A 60 6.310 21.531 -3.866 1.00 1.80 C ATOM 440 O VAL A 60 7.252 21.538 -3.069 1.00 1.87 O ATOM 441 CB VAL A 60 5.499 19.227 -4.602 1.00 1.38 C ATOM 442 CG1 VAL A 60 5.266 18.311 -5.809 1.00 1.36 C ATOM 443 CG2 VAL A 60 6.171 18.411 -3.492 1.00 1.31 C ATOM 0 H VAL A 60 7.848 19.153 -5.265 1.00 1.73 H new ATOM 0 HA VAL A 60 5.767 20.974 -5.839 1.00 1.63 H new ATOM 0 HB VAL A 60 4.550 19.596 -4.213 1.00 1.38 H new ATOM 0 HG11 VAL A 60 4.713 17.427 -5.493 1.00 1.36 H new ATOM 0 HG12 VAL A 60 4.693 18.846 -6.567 1.00 1.36 H new ATOM 0 HG13 VAL A 60 6.226 18.008 -6.227 1.00 1.36 H new ATOM 0 HG21 VAL A 60 5.561 17.537 -3.263 1.00 1.31 H new ATOM 0 HG22 VAL A 60 7.158 18.088 -3.824 1.00 1.31 H new ATOM 0 HG23 VAL A 60 6.272 19.027 -2.598 1.00 1.31 H new ATOM 453 N PRO A 61 5.310 22.425 -3.759 1.00 2.03 N ATOM 454 CA PRO A 61 5.254 23.451 -2.717 1.00 2.30 C ATOM 455 C PRO A 61 4.852 22.868 -1.349 1.00 2.16 C ATOM 456 O PRO A 61 4.127 21.867 -1.304 1.00 2.13 O ATOM 457 CB PRO A 61 4.203 24.453 -3.204 1.00 2.89 C ATOM 458 CG PRO A 61 3.227 23.553 -3.958 1.00 2.13 C ATOM 459 CD PRO A 61 4.171 22.570 -4.651 1.00 2.14 C ATOM 0 HA PRO A 61 6.232 23.908 -2.564 1.00 2.30 H new ATOM 0 HB2 PRO A 61 3.721 24.973 -2.376 1.00 2.89 H new ATOM 0 HB3 PRO A 61 4.636 25.216 -3.851 1.00 2.89 H new ATOM 0 HG2 PRO A 61 2.535 23.048 -3.285 1.00 2.13 H new ATOM 0 HG3 PRO A 61 2.625 24.113 -4.673 1.00 2.13 H new ATOM 0 HD2 PRO A 61 3.682 21.611 -4.821 1.00 2.14 H new ATOM 0 HD3 PRO A 61 4.482 22.946 -5.626 1.00 2.14 H new ATOM 467 N PRO A 62 5.209 23.526 -0.227 1.00 2.31 N ATOM 468 CA PRO A 62 4.708 23.185 1.103 1.00 2.50 C ATOM 469 C PRO A 62 3.181 23.039 1.154 1.00 2.95 C ATOM 470 O PRO A 62 2.444 23.733 0.443 1.00 3.33 O ATOM 471 CB PRO A 62 5.199 24.291 2.038 1.00 2.77 C ATOM 472 CG PRO A 62 6.473 24.766 1.350 1.00 2.86 C ATOM 473 CD PRO A 62 6.145 24.634 -0.133 1.00 2.60 C ATOM 0 HA PRO A 62 5.084 22.207 1.404 1.00 2.50 H new ATOM 0 HB2 PRO A 62 4.468 25.093 2.136 1.00 2.77 H new ATOM 0 HB3 PRO A 62 5.396 23.915 3.042 1.00 2.77 H new ATOM 0 HG2 PRO A 62 6.715 25.795 1.618 1.00 2.86 H new ATOM 0 HG3 PRO A 62 7.331 24.154 1.628 1.00 2.86 H new ATOM 0 HD2 PRO A 62 5.705 25.553 -0.521 1.00 2.60 H new ATOM 0 HD3 PRO A 62 7.044 24.439 -0.718 1.00 2.60 H new ATOM 481 N GLY A 63 2.730 22.098 1.982 1.00 3.15 N ATOM 482 CA GLY A 63 1.388 21.515 1.965 1.00 3.57 C ATOM 483 C GLY A 63 1.319 20.213 1.154 1.00 2.77 C ATOM 484 O GLY A 63 0.600 19.297 1.551 1.00 2.63 O ATOM 0 H GLY A 63 3.317 21.703 2.717 1.00 3.15 H new ATOM 0 HA2 GLY A 63 1.069 21.318 2.988 1.00 3.57 H new ATOM 0 HA3 GLY A 63 0.688 22.237 1.546 1.00 3.57 H new ATOM 488 N SER A 64 2.118 20.074 0.088 1.00 2.29 N ATOM 489 CA SER A 64 2.044 18.939 -0.834 1.00 1.84 C ATOM 490 C SER A 64 2.572 17.640 -0.231 1.00 1.49 C ATOM 491 O SER A 64 3.513 17.602 0.570 1.00 1.63 O ATOM 492 CB SER A 64 2.779 19.206 -2.149 1.00 1.78 C ATOM 493 OG SER A 64 2.363 20.417 -2.746 1.00 2.75 O ATOM 0 H SER A 64 2.839 20.753 -0.158 1.00 2.29 H new ATOM 0 HA SER A 64 0.979 18.819 -1.035 1.00 1.84 H new ATOM 0 HB2 SER A 64 3.853 19.242 -1.965 1.00 1.78 H new ATOM 0 HB3 SER A 64 2.601 18.381 -2.839 1.00 1.78 H new ATOM 0 HG SER A 64 2.881 21.161 -2.373 1.00 2.75 H new ATOM 499 N GLU A 65 1.934 16.562 -0.664 1.00 1.53 N ATOM 500 CA GLU A 65 2.097 15.188 -0.183 1.00 1.33 C ATOM 501 C GLU A 65 1.673 14.201 -1.297 1.00 1.08 C ATOM 502 O GLU A 65 0.719 13.433 -1.162 1.00 1.23 O ATOM 503 CB GLU A 65 1.274 15.071 1.115 1.00 1.84 C ATOM 504 CG GLU A 65 1.582 13.820 1.935 1.00 1.21 C ATOM 505 CD GLU A 65 1.177 14.047 3.395 1.00 1.28 C ATOM 506 OE1 GLU A 65 -0.027 13.933 3.718 1.00 2.10 O ATOM 507 OE2 GLU A 65 2.053 14.406 4.223 1.00 2.15 O ATOM 0 H GLU A 65 1.241 16.623 -1.410 1.00 1.53 H new ATOM 0 HA GLU A 65 3.132 14.936 0.049 1.00 1.33 H new ATOM 0 HB2 GLU A 65 1.459 15.951 1.731 1.00 1.84 H new ATOM 0 HB3 GLU A 65 0.214 15.076 0.862 1.00 1.84 H new ATOM 0 HG2 GLU A 65 1.044 12.964 1.527 1.00 1.21 H new ATOM 0 HG3 GLU A 65 2.645 13.586 1.874 1.00 1.21 H new ATOM 514 N THR A 66 2.306 14.295 -2.474 1.00 0.87 N ATOM 515 CA THR A 66 1.767 13.788 -3.747 1.00 0.84 C ATOM 516 C THR A 66 2.036 12.306 -4.014 1.00 0.72 C ATOM 517 O THR A 66 1.336 11.703 -4.825 1.00 0.85 O ATOM 518 CB THR A 66 2.326 14.589 -4.943 1.00 0.88 C ATOM 519 OG1 THR A 66 3.713 14.391 -5.092 1.00 1.21 O ATOM 520 CG2 THR A 66 2.151 16.101 -4.841 1.00 0.99 C ATOM 0 H THR A 66 3.222 14.732 -2.572 1.00 0.87 H new ATOM 0 HA THR A 66 0.689 13.914 -3.646 1.00 0.84 H new ATOM 0 HB THR A 66 1.746 14.210 -5.784 1.00 0.88 H new ATOM 0 HG1 THR A 66 4.158 14.533 -4.230 1.00 1.21 H new ATOM 0 HG21 THR A 66 2.574 16.577 -5.726 1.00 0.99 H new ATOM 0 HG22 THR A 66 1.090 16.341 -4.772 1.00 0.99 H new ATOM 0 HG23 THR A 66 2.664 16.467 -3.952 1.00 0.99 H new ATOM 528 N HIS A 67 3.064 11.737 -3.385 1.00 0.58 N ATOM 529 CA HIS A 67 3.861 10.646 -3.956 1.00 0.53 C ATOM 530 C HIS A 67 4.247 9.600 -2.909 1.00 0.48 C ATOM 531 O HIS A 67 4.818 9.957 -1.874 1.00 0.49 O ATOM 532 CB HIS A 67 5.138 11.254 -4.554 1.00 0.54 C ATOM 533 CG HIS A 67 5.389 10.865 -5.977 1.00 0.71 C ATOM 534 ND1 HIS A 67 6.394 10.093 -6.515 1.00 1.00 N ATOM 535 CD2 HIS A 67 4.608 11.293 -7.005 1.00 0.81 C ATOM 536 CE1 HIS A 67 6.232 10.078 -7.847 1.00 1.22 C ATOM 537 NE2 HIS A 67 5.137 10.781 -8.202 1.00 1.09 N ATOM 0 H HIS A 67 3.372 12.022 -2.455 1.00 0.58 H new ATOM 0 HA HIS A 67 3.262 10.141 -4.714 1.00 0.53 H new ATOM 0 HB2 HIS A 67 5.075 12.340 -4.491 1.00 0.54 H new ATOM 0 HB3 HIS A 67 5.991 10.949 -3.949 1.00 0.54 H new ATOM 0 HD1 HIS A 67 7.131 9.617 -5.994 1.00 1.00 H new ATOM 0 HD2 HIS A 67 3.732 11.919 -6.917 1.00 0.81 H new ATOM 0 HE1 HIS A 67 6.888 9.572 -8.540 1.00 1.22 H new ATOM 545 N PHE A 68 3.984 8.320 -3.183 1.00 0.50 N ATOM 546 CA PHE A 68 3.954 7.301 -2.129 1.00 0.51 C ATOM 547 C PHE A 68 4.616 5.957 -2.501 1.00 0.56 C ATOM 548 O PHE A 68 4.648 5.558 -3.675 1.00 0.73 O ATOM 549 CB PHE A 68 2.470 7.122 -1.782 1.00 0.58 C ATOM 550 CG PHE A 68 2.071 6.562 -0.436 1.00 0.74 C ATOM 551 CD1 PHE A 68 2.717 6.937 0.762 1.00 1.59 C ATOM 552 CD2 PHE A 68 0.921 5.759 -0.383 1.00 2.07 C ATOM 553 CE1 PHE A 68 2.220 6.491 2.002 1.00 1.72 C ATOM 554 CE2 PHE A 68 0.416 5.330 0.848 1.00 2.48 C ATOM 555 CZ PHE A 68 1.061 5.699 2.040 1.00 1.68 C ATOM 0 H PHE A 68 3.790 7.965 -4.119 1.00 0.50 H new ATOM 0 HA PHE A 68 4.552 7.638 -1.282 1.00 0.51 H new ATOM 0 HB2 PHE A 68 1.994 8.097 -1.881 1.00 0.58 H new ATOM 0 HB3 PHE A 68 2.035 6.476 -2.544 1.00 0.58 H new ATOM 0 HD1 PHE A 68 3.594 7.567 0.728 1.00 1.59 H new ATOM 0 HD2 PHE A 68 0.424 5.471 -1.298 1.00 2.07 H new ATOM 0 HE1 PHE A 68 2.727 6.756 2.918 1.00 1.72 H new ATOM 0 HE2 PHE A 68 -0.471 4.714 0.883 1.00 2.48 H new ATOM 0 HZ PHE A 68 0.664 5.372 2.990 1.00 1.68 H new ATOM 565 N ARG A 69 5.102 5.229 -1.487 1.00 0.54 N ATOM 566 CA ARG A 69 5.617 3.859 -1.615 1.00 0.54 C ATOM 567 C ARG A 69 5.156 2.974 -0.454 1.00 0.51 C ATOM 568 O ARG A 69 5.298 3.361 0.704 1.00 0.57 O ATOM 569 CB ARG A 69 7.154 3.885 -1.748 1.00 0.61 C ATOM 570 CG ARG A 69 7.678 2.725 -2.610 1.00 1.00 C ATOM 571 CD ARG A 69 7.335 2.909 -4.096 1.00 1.33 C ATOM 572 NE ARG A 69 8.149 3.955 -4.748 1.00 2.68 N ATOM 573 CZ ARG A 69 8.718 3.927 -5.938 1.00 3.67 C ATOM 574 NH1 ARG A 69 8.813 2.844 -6.654 1.00 3.81 N ATOM 575 NH2 ARG A 69 9.197 5.030 -6.426 1.00 5.13 N ATOM 0 H ARG A 69 5.149 5.585 -0.532 1.00 0.54 H new ATOM 0 HA ARG A 69 5.206 3.416 -2.522 1.00 0.54 H new ATOM 0 HB2 ARG A 69 7.464 4.833 -2.189 1.00 0.61 H new ATOM 0 HB3 ARG A 69 7.604 3.832 -0.757 1.00 0.61 H new ATOM 0 HG2 ARG A 69 8.759 2.648 -2.495 1.00 1.00 H new ATOM 0 HG3 ARG A 69 7.252 1.787 -2.253 1.00 1.00 H new ATOM 0 HD2 ARG A 69 7.482 1.963 -4.618 1.00 1.33 H new ATOM 0 HD3 ARG A 69 6.280 3.165 -4.191 1.00 1.33 H new ATOM 0 HE ARG A 69 8.289 4.809 -4.209 1.00 2.68 H new ATOM 0 HH11 ARG A 69 8.438 1.964 -6.300 1.00 3.81 H new ATOM 0 HH12 ARG A 69 9.263 2.875 -7.569 1.00 3.81 H new ATOM 0 HH21 ARG A 69 9.129 5.896 -5.891 1.00 5.13 H new ATOM 0 HH22 ARG A 69 9.641 5.031 -7.344 1.00 5.13 H new ATOM 589 N VAL A 70 4.580 1.805 -0.756 1.00 0.51 N ATOM 590 CA VAL A 70 3.920 0.933 0.241 1.00 0.51 C ATOM 591 C VAL A 70 4.330 -0.531 0.116 1.00 0.50 C ATOM 592 O VAL A 70 4.403 -1.070 -0.985 1.00 0.50 O ATOM 593 CB VAL A 70 2.378 1.017 0.149 1.00 0.67 C ATOM 594 CG1 VAL A 70 1.690 0.272 1.309 1.00 0.80 C ATOM 595 CG2 VAL A 70 1.857 2.459 0.118 1.00 0.77 C ATOM 0 H VAL A 70 4.555 1.429 -1.704 1.00 0.51 H new ATOM 0 HA VAL A 70 4.255 1.308 1.208 1.00 0.51 H new ATOM 0 HB VAL A 70 2.127 0.537 -0.797 1.00 0.67 H new ATOM 0 HG11 VAL A 70 0.608 0.357 1.205 1.00 0.80 H new ATOM 0 HG12 VAL A 70 1.976 -0.780 1.286 1.00 0.80 H new ATOM 0 HG13 VAL A 70 1.999 0.711 2.258 1.00 0.80 H new ATOM 0 HG21 VAL A 70 0.769 2.451 0.053 1.00 0.77 H new ATOM 0 HG22 VAL A 70 2.163 2.976 1.028 1.00 0.77 H new ATOM 0 HG23 VAL A 70 2.269 2.976 -0.749 1.00 0.77 H new ATOM 605 N ALA A 71 4.449 -1.210 1.254 1.00 0.62 N ATOM 606 CA ALA A 71 4.427 -2.671 1.338 1.00 0.70 C ATOM 607 C ALA A 71 3.211 -3.120 2.158 1.00 0.82 C ATOM 608 O ALA A 71 3.018 -2.660 3.286 1.00 0.87 O ATOM 609 CB ALA A 71 5.748 -3.197 1.910 1.00 0.78 C ATOM 0 H ALA A 71 4.565 -0.755 2.159 1.00 0.62 H new ATOM 0 HA ALA A 71 4.328 -3.096 0.339 1.00 0.70 H new ATOM 0 HB1 ALA A 71 5.713 -4.285 1.965 1.00 0.78 H new ATOM 0 HB2 ALA A 71 6.571 -2.893 1.264 1.00 0.78 H new ATOM 0 HB3 ALA A 71 5.901 -2.788 2.909 1.00 0.78 H new ATOM 615 N VAL A 72 2.397 -4.008 1.579 1.00 0.89 N ATOM 616 CA VAL A 72 1.154 -4.546 2.157 1.00 0.97 C ATOM 617 C VAL A 72 1.142 -6.071 2.057 1.00 1.03 C ATOM 618 O VAL A 72 1.175 -6.638 0.961 1.00 1.22 O ATOM 619 CB VAL A 72 -0.121 -3.983 1.479 1.00 1.01 C ATOM 620 CG1 VAL A 72 -0.612 -2.724 2.191 1.00 1.78 C ATOM 621 CG2 VAL A 72 0.017 -3.676 -0.021 1.00 1.95 C ATOM 0 H VAL A 72 2.592 -4.391 0.654 1.00 0.89 H new ATOM 0 HA VAL A 72 1.138 -4.232 3.201 1.00 0.97 H new ATOM 0 HB VAL A 72 -0.845 -4.793 1.567 1.00 1.01 H new ATOM 0 HG11 VAL A 72 -1.507 -2.351 1.694 1.00 1.78 H new ATOM 0 HG12 VAL A 72 -0.845 -2.961 3.229 1.00 1.78 H new ATOM 0 HG13 VAL A 72 0.166 -1.961 2.159 1.00 1.78 H new ATOM 0 HG21 VAL A 72 -0.928 -3.287 -0.401 1.00 1.95 H new ATOM 0 HG22 VAL A 72 0.801 -2.933 -0.170 1.00 1.95 H new ATOM 0 HG23 VAL A 72 0.276 -4.589 -0.557 1.00 1.95 H new ATOM 631 N VAL A 73 1.091 -6.764 3.194 1.00 0.88 N ATOM 632 CA VAL A 73 1.241 -8.224 3.224 1.00 0.87 C ATOM 633 C VAL A 73 0.147 -8.861 4.089 1.00 0.74 C ATOM 634 O VAL A 73 -0.025 -8.513 5.264 1.00 0.66 O ATOM 635 CB VAL A 73 2.635 -8.557 3.737 1.00 1.01 C ATOM 636 CG1 VAL A 73 2.975 -10.045 3.727 1.00 1.59 C ATOM 637 CG2 VAL A 73 3.748 -7.765 3.038 1.00 1.74 C ATOM 0 H VAL A 73 0.947 -6.339 4.110 1.00 0.88 H new ATOM 0 HA VAL A 73 1.127 -8.634 2.221 1.00 0.87 H new ATOM 0 HB VAL A 73 2.593 -8.244 4.780 1.00 1.01 H new ATOM 0 HG11 VAL A 73 3.986 -10.190 4.108 1.00 1.59 H new ATOM 0 HG12 VAL A 73 2.268 -10.584 4.358 1.00 1.59 H new ATOM 0 HG13 VAL A 73 2.914 -10.425 2.707 1.00 1.59 H new ATOM 0 HG21 VAL A 73 4.714 -8.052 3.453 1.00 1.74 H new ATOM 0 HG22 VAL A 73 3.733 -7.981 1.970 1.00 1.74 H new ATOM 0 HG23 VAL A 73 3.589 -6.698 3.194 1.00 1.74 H new ATOM 647 N SER A 74 -0.614 -9.790 3.499 1.00 0.80 N ATOM 648 CA SER A 74 -1.855 -10.306 4.090 1.00 0.79 C ATOM 649 C SER A 74 -2.192 -11.744 3.682 1.00 0.82 C ATOM 650 O SER A 74 -1.892 -12.181 2.572 1.00 0.82 O ATOM 651 CB SER A 74 -3.018 -9.383 3.694 1.00 0.80 C ATOM 652 OG SER A 74 -4.240 -9.834 4.247 1.00 0.82 O ATOM 0 H SER A 74 -0.386 -10.206 2.596 1.00 0.80 H new ATOM 0 HA SER A 74 -1.702 -10.322 5.169 1.00 0.79 H new ATOM 0 HB2 SER A 74 -2.813 -8.369 4.036 1.00 0.80 H new ATOM 0 HB3 SER A 74 -3.100 -9.343 2.608 1.00 0.80 H new ATOM 0 HG SER A 74 -4.689 -9.089 4.699 1.00 0.82 H new ATOM 658 N SER A 75 -2.903 -12.454 4.561 1.00 0.92 N ATOM 659 CA SER A 75 -3.565 -13.736 4.282 1.00 1.08 C ATOM 660 C SER A 75 -4.731 -13.625 3.284 1.00 1.16 C ATOM 661 O SER A 75 -5.130 -14.632 2.700 1.00 1.36 O ATOM 662 CB SER A 75 -4.058 -14.342 5.600 1.00 1.17 C ATOM 663 OG SER A 75 -4.844 -13.383 6.279 1.00 2.23 O ATOM 0 H SER A 75 -3.040 -12.143 5.523 1.00 0.92 H new ATOM 0 HA SER A 75 -2.825 -14.382 3.810 1.00 1.08 H new ATOM 0 HB2 SER A 75 -4.644 -15.240 5.406 1.00 1.17 H new ATOM 0 HB3 SER A 75 -3.211 -14.641 6.218 1.00 1.17 H new ATOM 0 HG SER A 75 -5.166 -13.762 7.123 1.00 2.23 H new ATOM 669 N ARG A 76 -5.243 -12.418 2.999 1.00 1.07 N ATOM 670 CA ARG A 76 -6.216 -12.196 1.909 1.00 1.10 C ATOM 671 C ARG A 76 -5.615 -12.262 0.506 1.00 1.03 C ATOM 672 O ARG A 76 -6.366 -12.366 -0.462 1.00 1.14 O ATOM 673 CB ARG A 76 -6.937 -10.841 2.064 1.00 1.18 C ATOM 674 CG ARG A 76 -8.224 -10.856 2.897 1.00 1.62 C ATOM 675 CD ARG A 76 -8.001 -10.771 4.408 1.00 1.80 C ATOM 676 NE ARG A 76 -7.963 -12.082 5.065 1.00 3.24 N ATOM 677 CZ ARG A 76 -7.854 -12.265 6.369 1.00 4.27 C ATOM 678 NH1 ARG A 76 -7.699 -11.277 7.200 1.00 4.48 N ATOM 679 NH2 ARG A 76 -7.910 -13.459 6.868 1.00 5.73 N ATOM 0 H ARG A 76 -4.999 -11.571 3.512 1.00 1.07 H new ATOM 0 HA ARG A 76 -6.921 -13.022 2.006 1.00 1.10 H new ATOM 0 HB2 ARG A 76 -6.243 -10.132 2.516 1.00 1.18 H new ATOM 0 HB3 ARG A 76 -7.176 -10.463 1.070 1.00 1.18 H new ATOM 0 HG2 ARG A 76 -8.852 -10.021 2.587 1.00 1.62 H new ATOM 0 HG3 ARG A 76 -8.776 -11.769 2.674 1.00 1.62 H new ATOM 0 HD2 ARG A 76 -7.064 -10.249 4.601 1.00 1.80 H new ATOM 0 HD3 ARG A 76 -8.797 -10.173 4.852 1.00 1.80 H new ATOM 0 HE ARG A 76 -8.025 -12.911 4.474 1.00 3.24 H new ATOM 0 HH11 ARG A 76 -7.658 -10.319 6.852 1.00 4.48 H new ATOM 0 HH12 ARG A 76 -7.619 -11.460 8.200 1.00 4.48 H new ATOM 0 HH21 ARG A 76 -8.039 -14.263 6.254 1.00 5.73 H new ATOM 0 HH22 ARG A 76 -7.825 -13.595 7.875 1.00 5.73 H new ATOM 693 N PHE A 77 -4.292 -12.179 0.376 1.00 0.93 N ATOM 694 CA PHE A 77 -3.579 -12.219 -0.895 1.00 0.88 C ATOM 695 C PHE A 77 -3.064 -13.637 -1.228 1.00 0.88 C ATOM 696 O PHE A 77 -2.100 -13.784 -1.981 1.00 0.86 O ATOM 697 CB PHE A 77 -2.470 -11.153 -0.849 1.00 0.85 C ATOM 698 CG PHE A 77 -2.868 -9.693 -0.628 1.00 0.93 C ATOM 699 CD1 PHE A 77 -1.863 -8.773 -0.270 1.00 1.42 C ATOM 700 CD2 PHE A 77 -4.192 -9.226 -0.791 1.00 1.92 C ATOM 701 CE1 PHE A 77 -2.167 -7.418 -0.059 1.00 1.50 C ATOM 702 CE2 PHE A 77 -4.501 -7.870 -0.566 1.00 2.01 C ATOM 703 CZ PHE A 77 -3.488 -6.965 -0.203 1.00 1.21 C ATOM 0 H PHE A 77 -3.670 -12.079 1.178 1.00 0.93 H new ATOM 0 HA PHE A 77 -4.255 -11.982 -1.716 1.00 0.88 H new ATOM 0 HB2 PHE A 77 -1.776 -11.431 -0.056 1.00 0.85 H new ATOM 0 HB3 PHE A 77 -1.919 -11.208 -1.788 1.00 0.85 H new ATOM 0 HD1 PHE A 77 -0.845 -9.114 -0.156 1.00 1.42 H new ATOM 0 HD2 PHE A 77 -4.971 -9.912 -1.090 1.00 1.92 H new ATOM 0 HE1 PHE A 77 -1.385 -6.725 0.214 1.00 1.50 H new ATOM 0 HE2 PHE A 77 -5.519 -7.525 -0.673 1.00 2.01 H new ATOM 0 HZ PHE A 77 -3.725 -5.925 -0.036 1.00 1.21 H new ATOM 713 N GLU A 78 -3.661 -14.681 -0.643 1.00 1.08 N ATOM 714 CA GLU A 78 -3.266 -16.083 -0.850 1.00 1.11 C ATOM 715 C GLU A 78 -3.834 -16.731 -2.115 1.00 1.05 C ATOM 716 O GLU A 78 -4.916 -16.388 -2.600 1.00 1.30 O ATOM 717 CB GLU A 78 -3.628 -16.951 0.371 1.00 1.59 C ATOM 718 CG GLU A 78 -2.752 -16.594 1.572 1.00 1.76 C ATOM 719 CD GLU A 78 -2.921 -17.544 2.773 1.00 1.84 C ATOM 720 OE1 GLU A 78 -4.011 -18.143 2.945 1.00 2.45 O ATOM 721 OE2 GLU A 78 -1.962 -17.701 3.573 1.00 2.37 O ATOM 0 H GLU A 78 -4.446 -14.576 -0.001 1.00 1.08 H new ATOM 0 HA GLU A 78 -2.185 -16.041 -0.982 1.00 1.11 H new ATOM 0 HB2 GLU A 78 -4.678 -16.807 0.626 1.00 1.59 H new ATOM 0 HB3 GLU A 78 -3.501 -18.005 0.124 1.00 1.59 H new ATOM 0 HG2 GLU A 78 -1.707 -16.599 1.261 1.00 1.76 H new ATOM 0 HG3 GLU A 78 -2.985 -15.578 1.890 1.00 1.76 H new ATOM 728 N GLY A 79 -3.108 -17.735 -2.614 1.00 1.12 N ATOM 729 CA GLY A 79 -3.662 -18.773 -3.482 1.00 1.39 C ATOM 730 C GLY A 79 -3.810 -18.402 -4.964 1.00 1.36 C ATOM 731 O GLY A 79 -4.057 -19.266 -5.806 1.00 1.98 O ATOM 0 H GLY A 79 -2.112 -17.850 -2.425 1.00 1.12 H new ATOM 0 HA2 GLY A 79 -3.027 -19.656 -3.411 1.00 1.39 H new ATOM 0 HA3 GLY A 79 -4.643 -19.054 -3.099 1.00 1.39 H new ATOM 735 N LEU A 80 -3.602 -17.130 -5.285 1.00 0.97 N ATOM 736 CA LEU A 80 -3.476 -16.530 -6.607 1.00 1.11 C ATOM 737 C LEU A 80 -2.004 -16.177 -6.927 1.00 1.04 C ATOM 738 O LEU A 80 -1.110 -16.363 -6.098 1.00 1.20 O ATOM 739 CB LEU A 80 -4.421 -15.310 -6.659 1.00 1.43 C ATOM 740 CG LEU A 80 -4.506 -14.395 -5.446 1.00 0.99 C ATOM 741 CD1 LEU A 80 -3.153 -13.943 -4.905 1.00 1.63 C ATOM 742 CD2 LEU A 80 -5.339 -13.144 -5.708 1.00 1.31 C ATOM 0 H LEU A 80 -3.508 -16.425 -4.554 1.00 0.97 H new ATOM 0 HA LEU A 80 -3.770 -17.236 -7.383 1.00 1.11 H new ATOM 0 HB2 LEU A 80 -4.125 -14.700 -7.512 1.00 1.43 H new ATOM 0 HB3 LEU A 80 -5.426 -15.680 -6.864 1.00 1.43 H new ATOM 0 HG LEU A 80 -4.989 -15.023 -4.697 1.00 0.99 H new ATOM 0 HD11 LEU A 80 -3.304 -13.295 -4.042 1.00 1.63 H new ATOM 0 HD12 LEU A 80 -2.571 -14.815 -4.606 1.00 1.63 H new ATOM 0 HD13 LEU A 80 -2.616 -13.396 -5.680 1.00 1.63 H new ATOM 0 HD21 LEU A 80 -5.365 -12.529 -4.808 1.00 1.31 H new ATOM 0 HD22 LEU A 80 -4.894 -12.575 -6.524 1.00 1.31 H new ATOM 0 HD23 LEU A 80 -6.354 -13.433 -5.979 1.00 1.31 H new ATOM 754 N SER A 81 -1.739 -15.676 -8.132 1.00 0.99 N ATOM 755 CA SER A 81 -0.416 -15.213 -8.579 1.00 1.16 C ATOM 756 C SER A 81 0.027 -13.885 -7.929 1.00 1.26 C ATOM 757 O SER A 81 -0.829 -13.040 -7.650 1.00 1.15 O ATOM 758 CB SER A 81 -0.469 -15.055 -10.101 1.00 1.21 C ATOM 759 OG SER A 81 0.666 -14.410 -10.637 1.00 1.80 O ATOM 0 H SER A 81 -2.457 -15.576 -8.850 1.00 0.99 H new ATOM 0 HA SER A 81 0.322 -15.954 -8.272 1.00 1.16 H new ATOM 0 HB2 SER A 81 -0.568 -16.040 -10.558 1.00 1.21 H new ATOM 0 HB3 SER A 81 -1.361 -14.488 -10.369 1.00 1.21 H new ATOM 0 HG SER A 81 0.574 -14.341 -11.610 1.00 1.80 H new ATOM 765 N PRO A 82 1.348 -13.630 -7.784 1.00 1.50 N ATOM 766 CA PRO A 82 1.929 -12.302 -7.529 1.00 1.54 C ATOM 767 C PRO A 82 1.315 -11.182 -8.386 1.00 1.49 C ATOM 768 O PRO A 82 0.906 -10.139 -7.865 1.00 1.44 O ATOM 769 CB PRO A 82 3.425 -12.458 -7.828 1.00 1.75 C ATOM 770 CG PRO A 82 3.688 -13.913 -7.458 1.00 1.90 C ATOM 771 CD PRO A 82 2.413 -14.617 -7.903 1.00 1.75 C ATOM 0 HA PRO A 82 1.728 -11.996 -6.502 1.00 1.54 H new ATOM 0 HB2 PRO A 82 3.652 -12.259 -8.875 1.00 1.75 H new ATOM 0 HB3 PRO A 82 4.031 -11.773 -7.235 1.00 1.75 H new ATOM 0 HG2 PRO A 82 4.566 -14.307 -7.970 1.00 1.90 H new ATOM 0 HG3 PRO A 82 3.862 -14.032 -6.389 1.00 1.90 H new ATOM 0 HD2 PRO A 82 2.502 -14.974 -8.929 1.00 1.75 H new ATOM 0 HD3 PRO A 82 2.210 -15.488 -7.279 1.00 1.75 H new ATOM 779 N LEU A 83 1.156 -11.437 -9.691 1.00 1.55 N ATOM 780 CA LEU A 83 0.535 -10.504 -10.632 1.00 1.55 C ATOM 781 C LEU A 83 -0.933 -10.259 -10.258 1.00 1.41 C ATOM 782 O LEU A 83 -1.367 -9.111 -10.199 1.00 1.44 O ATOM 783 CB LEU A 83 0.729 -11.057 -12.061 1.00 1.78 C ATOM 784 CG LEU A 83 0.264 -10.188 -13.252 1.00 2.12 C ATOM 785 CD1 LEU A 83 -1.244 -10.242 -13.497 1.00 3.41 C ATOM 786 CD2 LEU A 83 0.698 -8.728 -13.131 1.00 2.50 C ATOM 0 H LEU A 83 1.460 -12.308 -10.126 1.00 1.55 H new ATOM 0 HA LEU A 83 1.011 -9.525 -10.587 1.00 1.55 H new ATOM 0 HB2 LEU A 83 1.790 -11.265 -12.196 1.00 1.78 H new ATOM 0 HB3 LEU A 83 0.207 -12.012 -12.122 1.00 1.78 H new ATOM 0 HG LEU A 83 0.765 -10.634 -14.111 1.00 2.12 H new ATOM 0 HD11 LEU A 83 -1.497 -9.609 -14.347 1.00 3.41 H new ATOM 0 HD12 LEU A 83 -1.542 -11.269 -13.708 1.00 3.41 H new ATOM 0 HD13 LEU A 83 -1.770 -9.887 -12.611 1.00 3.41 H new ATOM 0 HD21 LEU A 83 0.342 -8.170 -13.997 1.00 2.50 H new ATOM 0 HD22 LEU A 83 0.277 -8.297 -12.223 1.00 2.50 H new ATOM 0 HD23 LEU A 83 1.786 -8.674 -13.087 1.00 2.50 H new ATOM 798 N GLN A 84 -1.680 -11.313 -9.913 1.00 1.36 N ATOM 799 CA GLN A 84 -3.085 -11.188 -9.521 1.00 1.28 C ATOM 800 C GLN A 84 -3.255 -10.438 -8.184 1.00 1.35 C ATOM 801 O GLN A 84 -4.181 -9.643 -8.084 1.00 1.44 O ATOM 802 CB GLN A 84 -3.772 -12.566 -9.512 1.00 1.15 C ATOM 803 CG GLN A 84 -5.313 -12.434 -9.499 1.00 0.92 C ATOM 804 CD GLN A 84 -6.101 -13.734 -9.324 1.00 1.31 C ATOM 805 OE1 GLN A 84 -7.172 -13.762 -8.730 1.00 3.28 O ATOM 806 NE2 GLN A 84 -5.668 -14.861 -9.841 1.00 1.36 N ATOM 0 H GLN A 84 -1.329 -12.271 -9.898 1.00 1.36 H new ATOM 0 HA GLN A 84 -3.585 -10.575 -10.271 1.00 1.28 H new ATOM 0 HB2 GLN A 84 -3.462 -13.133 -10.390 1.00 1.15 H new ATOM 0 HB3 GLN A 84 -3.447 -13.129 -8.637 1.00 1.15 H new ATOM 0 HG2 GLN A 84 -5.592 -11.753 -8.694 1.00 0.92 H new ATOM 0 HG3 GLN A 84 -5.625 -11.968 -10.433 1.00 0.92 H new ATOM 0 HE21 GLN A 84 -4.781 -14.884 -10.344 1.00 1.36 H new ATOM 0 HE22 GLN A 84 -6.219 -15.714 -9.739 1.00 1.36 H new ATOM 815 N ARG A 85 -2.378 -10.595 -7.174 1.00 1.34 N ATOM 816 CA ARG A 85 -2.454 -9.790 -5.926 1.00 1.37 C ATOM 817 C ARG A 85 -2.084 -8.319 -6.141 1.00 1.42 C ATOM 818 O ARG A 85 -2.761 -7.435 -5.612 1.00 1.51 O ATOM 819 CB ARG A 85 -1.675 -10.420 -4.754 1.00 1.43 C ATOM 820 CG ARG A 85 -0.188 -10.686 -5.030 1.00 1.77 C ATOM 821 CD ARG A 85 0.561 -11.293 -3.831 1.00 2.79 C ATOM 822 NE ARG A 85 0.102 -12.654 -3.498 1.00 3.82 N ATOM 823 CZ ARG A 85 0.709 -13.808 -3.719 1.00 5.22 C ATOM 824 NH1 ARG A 85 1.904 -13.946 -4.211 1.00 5.97 N ATOM 825 NH2 ARG A 85 0.093 -14.902 -3.413 1.00 6.49 N ATOM 0 H ARG A 85 -1.610 -11.266 -7.191 1.00 1.34 H new ATOM 0 HA ARG A 85 -3.505 -9.804 -5.637 1.00 1.37 H new ATOM 0 HB2 ARG A 85 -1.756 -9.762 -3.889 1.00 1.43 H new ATOM 0 HB3 ARG A 85 -2.153 -11.362 -4.485 1.00 1.43 H new ATOM 0 HG2 ARG A 85 -0.100 -11.360 -5.882 1.00 1.77 H new ATOM 0 HG3 ARG A 85 0.294 -9.750 -5.313 1.00 1.77 H new ATOM 0 HD2 ARG A 85 1.628 -11.318 -4.051 1.00 2.79 H new ATOM 0 HD3 ARG A 85 0.430 -10.648 -2.962 1.00 2.79 H new ATOM 0 HE ARG A 85 -0.805 -12.713 -3.035 1.00 3.82 H new ATOM 0 HH11 ARG A 85 2.451 -13.122 -4.460 1.00 5.97 H new ATOM 0 HH12 ARG A 85 2.295 -14.878 -4.348 1.00 5.97 H new ATOM 0 HH21 ARG A 85 -0.843 -14.864 -3.009 1.00 6.49 H new ATOM 0 HH22 ARG A 85 0.543 -15.803 -3.575 1.00 6.49 H new ATOM 839 N HIS A 86 -1.072 -8.040 -6.964 1.00 1.38 N ATOM 840 CA HIS A 86 -0.779 -6.673 -7.407 1.00 1.35 C ATOM 841 C HIS A 86 -1.986 -6.060 -8.148 1.00 1.36 C ATOM 842 O HIS A 86 -2.457 -4.986 -7.772 1.00 1.40 O ATOM 843 CB HIS A 86 0.514 -6.696 -8.239 1.00 1.38 C ATOM 844 CG HIS A 86 1.747 -6.382 -7.425 1.00 1.33 C ATOM 845 ND1 HIS A 86 2.654 -5.377 -7.673 1.00 1.21 N ATOM 846 CD2 HIS A 86 2.175 -7.039 -6.304 1.00 1.48 C ATOM 847 CE1 HIS A 86 3.594 -5.419 -6.713 1.00 1.23 C ATOM 848 NE2 HIS A 86 3.331 -6.404 -5.830 1.00 1.38 N ATOM 0 H HIS A 86 -0.438 -8.745 -7.340 1.00 1.38 H new ATOM 0 HA HIS A 86 -0.611 -6.019 -6.551 1.00 1.35 H new ATOM 0 HB2 HIS A 86 0.628 -7.679 -8.696 1.00 1.38 H new ATOM 0 HB3 HIS A 86 0.429 -5.975 -9.052 1.00 1.38 H new ATOM 0 HD1 HIS A 86 2.619 -4.716 -8.449 1.00 1.21 H new ATOM 0 HD2 HIS A 86 1.702 -7.902 -5.859 1.00 1.48 H new ATOM 0 HE1 HIS A 86 4.444 -4.755 -6.656 1.00 1.23 H new ATOM 856 N ARG A 87 -2.591 -6.784 -9.101 1.00 1.39 N ATOM 857 CA ARG A 87 -3.832 -6.368 -9.782 1.00 1.46 C ATOM 858 C ARG A 87 -5.039 -6.234 -8.847 1.00 1.51 C ATOM 859 O ARG A 87 -5.820 -5.310 -9.038 1.00 1.51 O ATOM 860 CB ARG A 87 -4.135 -7.312 -10.959 1.00 1.52 C ATOM 861 CG ARG A 87 -3.243 -7.072 -12.195 1.00 2.66 C ATOM 862 CD ARG A 87 -3.342 -5.654 -12.787 1.00 2.78 C ATOM 863 NE ARG A 87 -4.740 -5.275 -13.057 1.00 2.77 N ATOM 864 CZ ARG A 87 -5.222 -4.076 -13.310 1.00 3.70 C ATOM 865 NH1 ARG A 87 -4.484 -3.006 -13.375 1.00 4.88 N ATOM 866 NH2 ARG A 87 -6.501 -3.965 -13.488 1.00 4.31 N ATOM 0 H ARG A 87 -2.232 -7.682 -9.425 1.00 1.39 H new ATOM 0 HA ARG A 87 -3.654 -5.363 -10.164 1.00 1.46 H new ATOM 0 HB2 ARG A 87 -4.010 -8.343 -10.627 1.00 1.52 H new ATOM 0 HB3 ARG A 87 -5.179 -7.194 -11.248 1.00 1.52 H new ATOM 0 HG2 ARG A 87 -2.206 -7.267 -11.922 1.00 2.66 H new ATOM 0 HG3 ARG A 87 -3.511 -7.794 -12.967 1.00 2.66 H new ATOM 0 HD2 ARG A 87 -2.898 -4.938 -12.095 1.00 2.78 H new ATOM 0 HD3 ARG A 87 -2.766 -5.604 -13.711 1.00 2.78 H new ATOM 0 HE ARG A 87 -5.419 -6.036 -13.047 1.00 2.77 H new ATOM 0 HH11 ARG A 87 -3.477 -3.071 -13.226 1.00 4.88 H new ATOM 0 HH12 ARG A 87 -4.913 -2.102 -13.575 1.00 4.88 H new ATOM 0 HH21 ARG A 87 -7.097 -4.790 -13.430 1.00 4.31 H new ATOM 0 HH22 ARG A 87 -6.911 -3.052 -13.686 1.00 4.31 H new ATOM 880 N LEU A 88 -5.156 -7.057 -7.803 1.00 1.58 N ATOM 881 CA LEU A 88 -6.166 -6.919 -6.741 1.00 1.71 C ATOM 882 C LEU A 88 -6.026 -5.552 -6.068 1.00 1.62 C ATOM 883 O LEU A 88 -6.991 -4.790 -6.023 1.00 1.65 O ATOM 884 CB LEU A 88 -6.009 -8.080 -5.735 1.00 1.92 C ATOM 885 CG LEU A 88 -7.211 -8.377 -4.816 1.00 2.53 C ATOM 886 CD1 LEU A 88 -6.948 -9.698 -4.088 1.00 3.13 C ATOM 887 CD2 LEU A 88 -7.439 -7.314 -3.738 1.00 3.56 C ATOM 0 H LEU A 88 -4.539 -7.858 -7.665 1.00 1.58 H new ATOM 0 HA LEU A 88 -7.169 -6.974 -7.163 1.00 1.71 H new ATOM 0 HB2 LEU A 88 -5.780 -8.986 -6.296 1.00 1.92 H new ATOM 0 HB3 LEU A 88 -5.145 -7.868 -5.105 1.00 1.92 H new ATOM 0 HG LEU A 88 -8.092 -8.404 -5.457 1.00 2.53 H new ATOM 0 HD11 LEU A 88 -7.788 -9.926 -3.432 1.00 3.13 H new ATOM 0 HD12 LEU A 88 -6.830 -10.499 -4.818 1.00 3.13 H new ATOM 0 HD13 LEU A 88 -6.038 -9.611 -3.495 1.00 3.13 H new ATOM 0 HD21 LEU A 88 -8.301 -7.591 -3.131 1.00 3.56 H new ATOM 0 HD22 LEU A 88 -6.555 -7.244 -3.104 1.00 3.56 H new ATOM 0 HD23 LEU A 88 -7.623 -6.350 -4.211 1.00 3.56 H new ATOM 899 N VAL A 89 -4.816 -5.198 -5.620 1.00 1.55 N ATOM 900 CA VAL A 89 -4.574 -3.857 -5.042 1.00 1.56 C ATOM 901 C VAL A 89 -4.870 -2.735 -6.049 1.00 1.44 C ATOM 902 O VAL A 89 -5.494 -1.737 -5.704 1.00 1.46 O ATOM 903 CB VAL A 89 -3.145 -3.718 -4.472 1.00 1.62 C ATOM 904 CG1 VAL A 89 -2.864 -2.311 -3.919 1.00 1.74 C ATOM 905 CG2 VAL A 89 -2.939 -4.692 -3.308 1.00 1.80 C ATOM 0 H VAL A 89 -3.997 -5.805 -5.642 1.00 1.55 H new ATOM 0 HA VAL A 89 -5.272 -3.752 -4.211 1.00 1.56 H new ATOM 0 HB VAL A 89 -2.472 -3.927 -5.303 1.00 1.62 H new ATOM 0 HG11 VAL A 89 -1.846 -2.269 -3.531 1.00 1.74 H new ATOM 0 HG12 VAL A 89 -2.979 -1.577 -4.717 1.00 1.74 H new ATOM 0 HG13 VAL A 89 -3.567 -2.088 -3.117 1.00 1.74 H new ATOM 0 HG21 VAL A 89 -1.928 -4.583 -2.917 1.00 1.80 H new ATOM 0 HG22 VAL A 89 -3.659 -4.474 -2.519 1.00 1.80 H new ATOM 0 HG23 VAL A 89 -3.084 -5.714 -3.659 1.00 1.80 H new ATOM 915 N HIS A 90 -4.477 -2.906 -7.307 1.00 1.39 N ATOM 916 CA HIS A 90 -4.552 -1.867 -8.338 1.00 1.42 C ATOM 917 C HIS A 90 -5.976 -1.642 -8.865 1.00 1.50 C ATOM 918 O HIS A 90 -6.332 -0.512 -9.184 1.00 1.60 O ATOM 919 CB HIS A 90 -3.617 -2.202 -9.512 1.00 1.44 C ATOM 920 CG HIS A 90 -2.126 -2.219 -9.245 1.00 1.42 C ATOM 921 ND1 HIS A 90 -1.172 -2.445 -10.210 1.00 1.52 N ATOM 922 CD2 HIS A 90 -1.454 -2.031 -8.062 1.00 1.38 C ATOM 923 CE1 HIS A 90 0.038 -2.397 -9.637 1.00 1.48 C ATOM 924 NE2 HIS A 90 -0.079 -2.123 -8.327 1.00 1.42 N ATOM 0 H HIS A 90 -4.090 -3.786 -7.649 1.00 1.39 H new ATOM 0 HA HIS A 90 -4.233 -0.941 -7.859 1.00 1.42 H new ATOM 0 HB2 HIS A 90 -3.900 -3.182 -9.896 1.00 1.44 H new ATOM 0 HB3 HIS A 90 -3.807 -1.481 -10.307 1.00 1.44 H new ATOM 0 HD1 HIS A 90 -1.355 -2.620 -11.198 1.00 1.52 H new ATOM 0 HD2 HIS A 90 -1.904 -1.845 -7.098 1.00 1.38 H new ATOM 0 HE1 HIS A 90 0.973 -2.556 -10.154 1.00 1.48 H new ATOM 932 N ALA A 91 -6.810 -2.677 -8.960 1.00 1.51 N ATOM 933 CA ALA A 91 -8.211 -2.525 -9.339 1.00 1.61 C ATOM 934 C ALA A 91 -9.088 -2.194 -8.128 1.00 1.66 C ATOM 935 O ALA A 91 -9.801 -1.185 -8.132 1.00 1.83 O ATOM 936 CB ALA A 91 -8.670 -3.785 -10.085 1.00 1.73 C ATOM 0 H ALA A 91 -6.533 -3.641 -8.777 1.00 1.51 H new ATOM 0 HA ALA A 91 -8.317 -1.676 -10.015 1.00 1.61 H new ATOM 0 HB1 ALA A 91 -9.716 -3.678 -10.371 1.00 1.73 H new ATOM 0 HB2 ALA A 91 -8.062 -3.920 -10.979 1.00 1.73 H new ATOM 0 HB3 ALA A 91 -8.559 -4.653 -9.435 1.00 1.73 H new ATOM 942 N ALA A 92 -9.014 -3.002 -7.068 1.00 1.60 N ATOM 943 CA ALA A 92 -9.919 -2.883 -5.933 1.00 1.65 C ATOM 944 C ALA A 92 -9.481 -1.830 -4.910 1.00 1.73 C ATOM 945 O ALA A 92 -10.362 -1.226 -4.290 1.00 1.90 O ATOM 946 CB ALA A 92 -10.113 -4.262 -5.291 1.00 1.57 C ATOM 0 H ALA A 92 -8.328 -3.751 -6.976 1.00 1.60 H new ATOM 0 HA ALA A 92 -10.876 -2.523 -6.310 1.00 1.65 H new ATOM 0 HB1 ALA A 92 -10.790 -4.176 -4.441 1.00 1.57 H new ATOM 0 HB2 ALA A 92 -10.537 -4.948 -6.024 1.00 1.57 H new ATOM 0 HB3 ALA A 92 -9.150 -4.644 -4.951 1.00 1.57 H new ATOM 952 N LEU A 93 -8.173 -1.574 -4.726 1.00 1.63 N ATOM 953 CA LEU A 93 -7.706 -0.628 -3.695 1.00 1.65 C ATOM 954 C LEU A 93 -7.147 0.682 -4.259 1.00 1.57 C ATOM 955 O LEU A 93 -6.718 1.518 -3.467 1.00 1.41 O ATOM 956 CB LEU A 93 -6.720 -1.310 -2.717 1.00 1.72 C ATOM 957 CG LEU A 93 -7.325 -1.843 -1.405 1.00 1.94 C ATOM 958 CD1 LEU A 93 -8.621 -2.630 -1.580 1.00 1.65 C ATOM 959 CD2 LEU A 93 -6.303 -2.753 -0.721 1.00 3.50 C ATOM 0 H LEU A 93 -7.426 -2.004 -5.272 1.00 1.63 H new ATOM 0 HA LEU A 93 -8.592 -0.335 -3.133 1.00 1.65 H new ATOM 0 HB2 LEU A 93 -6.242 -2.140 -3.236 1.00 1.72 H new ATOM 0 HB3 LEU A 93 -5.935 -0.596 -2.467 1.00 1.72 H new ATOM 0 HG LEU A 93 -7.568 -0.964 -0.808 1.00 1.94 H new ATOM 0 HD11 LEU A 93 -8.976 -2.967 -0.606 1.00 1.65 H new ATOM 0 HD12 LEU A 93 -9.375 -1.992 -2.040 1.00 1.65 H new ATOM 0 HD13 LEU A 93 -8.438 -3.494 -2.219 1.00 1.65 H new ATOM 0 HD21 LEU A 93 -6.722 -3.136 0.210 1.00 3.50 H new ATOM 0 HD22 LEU A 93 -6.060 -3.587 -1.380 1.00 3.50 H new ATOM 0 HD23 LEU A 93 -5.398 -2.186 -0.505 1.00 3.50 H new ATOM 971 N ALA A 94 -7.176 0.931 -5.572 1.00 1.74 N ATOM 972 CA ALA A 94 -6.569 2.157 -6.092 1.00 1.68 C ATOM 973 C ALA A 94 -7.234 3.445 -5.574 1.00 1.35 C ATOM 974 O ALA A 94 -6.510 4.379 -5.232 1.00 1.12 O ATOM 975 CB ALA A 94 -6.479 2.089 -7.615 1.00 2.27 C ATOM 0 H ALA A 94 -7.598 0.322 -6.273 1.00 1.74 H new ATOM 0 HA ALA A 94 -5.554 2.216 -5.699 1.00 1.68 H new ATOM 0 HB1 ALA A 94 -6.026 3.005 -7.994 1.00 2.27 H new ATOM 0 HB2 ALA A 94 -5.867 1.235 -7.906 1.00 2.27 H new ATOM 0 HB3 ALA A 94 -7.479 1.978 -8.034 1.00 2.27 H new ATOM 981 N GLU A 95 -8.559 3.511 -5.416 1.00 1.48 N ATOM 982 CA GLU A 95 -9.198 4.672 -4.766 1.00 1.43 C ATOM 983 C GLU A 95 -9.084 4.666 -3.232 1.00 1.31 C ATOM 984 O GLU A 95 -9.253 5.705 -2.597 1.00 1.42 O ATOM 985 CB GLU A 95 -10.681 4.779 -5.151 1.00 1.82 C ATOM 986 CG GLU A 95 -10.927 5.064 -6.635 1.00 2.65 C ATOM 987 CD GLU A 95 -12.408 5.357 -6.890 1.00 2.98 C ATOM 988 OE1 GLU A 95 -13.241 4.417 -6.888 1.00 3.81 O ATOM 989 OE2 GLU A 95 -12.768 6.539 -7.107 1.00 3.33 O ATOM 0 H GLU A 95 -9.208 2.787 -5.723 1.00 1.48 H new ATOM 0 HA GLU A 95 -8.647 5.538 -5.134 1.00 1.43 H new ATOM 0 HB2 GLU A 95 -11.182 3.849 -4.884 1.00 1.82 H new ATOM 0 HB3 GLU A 95 -11.142 5.570 -4.560 1.00 1.82 H new ATOM 0 HG2 GLU A 95 -10.323 5.914 -6.953 1.00 2.65 H new ATOM 0 HG3 GLU A 95 -10.612 4.208 -7.232 1.00 2.65 H new ATOM 996 N GLU A 96 -8.814 3.521 -2.604 1.00 1.25 N ATOM 997 CA GLU A 96 -8.759 3.360 -1.178 1.00 1.25 C ATOM 998 C GLU A 96 -7.369 3.747 -0.640 1.00 1.04 C ATOM 999 O GLU A 96 -7.240 4.565 0.272 1.00 1.33 O ATOM 1000 CB GLU A 96 -9.106 1.889 -0.961 1.00 1.42 C ATOM 1001 CG GLU A 96 -10.504 1.506 -1.485 1.00 1.64 C ATOM 1002 CD GLU A 96 -11.280 0.593 -0.529 1.00 1.58 C ATOM 1003 OE1 GLU A 96 -11.588 -0.575 -0.872 1.00 2.64 O ATOM 1004 OE2 GLU A 96 -11.640 1.060 0.577 1.00 1.79 O ATOM 0 H GLU A 96 -8.622 2.655 -3.108 1.00 1.25 H new ATOM 0 HA GLU A 96 -9.447 4.008 -0.636 1.00 1.25 H new ATOM 0 HB2 GLU A 96 -8.358 1.270 -1.457 1.00 1.42 H new ATOM 0 HB3 GLU A 96 -9.051 1.664 0.104 1.00 1.42 H new ATOM 0 HG2 GLU A 96 -11.081 2.414 -1.658 1.00 1.64 H new ATOM 0 HG3 GLU A 96 -10.399 1.007 -2.448 1.00 1.64 H new ATOM 1011 N LEU A 97 -6.320 3.214 -1.278 1.00 0.87 N ATOM 1012 CA LEU A 97 -4.906 3.438 -0.977 1.00 1.04 C ATOM 1013 C LEU A 97 -4.297 4.586 -1.791 1.00 1.00 C ATOM 1014 O LEU A 97 -3.489 5.345 -1.263 1.00 1.12 O ATOM 1015 CB LEU A 97 -4.179 2.124 -1.288 1.00 1.54 C ATOM 1016 CG LEU A 97 -2.854 1.933 -0.528 1.00 2.00 C ATOM 1017 CD1 LEU A 97 -3.104 1.446 0.902 1.00 3.15 C ATOM 1018 CD2 LEU A 97 -1.990 0.885 -1.231 1.00 2.45 C ATOM 0 H LEU A 97 -6.446 2.577 -2.065 1.00 0.87 H new ATOM 0 HA LEU A 97 -4.800 3.729 0.068 1.00 1.04 H new ATOM 0 HB2 LEU A 97 -4.842 1.292 -1.052 1.00 1.54 H new ATOM 0 HB3 LEU A 97 -3.979 2.078 -2.359 1.00 1.54 H new ATOM 0 HG LEU A 97 -2.350 2.899 -0.507 1.00 2.00 H new ATOM 0 HD11 LEU A 97 -2.151 1.320 1.415 1.00 3.15 H new ATOM 0 HD12 LEU A 97 -3.709 2.179 1.435 1.00 3.15 H new ATOM 0 HD13 LEU A 97 -3.630 0.492 0.875 1.00 3.15 H new ATOM 0 HD21 LEU A 97 -1.055 0.758 -0.685 1.00 2.45 H new ATOM 0 HD22 LEU A 97 -2.524 -0.065 -1.262 1.00 2.45 H new ATOM 0 HD23 LEU A 97 -1.774 1.214 -2.248 1.00 2.45 H new ATOM 1030 N GLY A 98 -4.714 4.762 -3.053 1.00 1.10 N ATOM 1031 CA GLY A 98 -4.364 5.926 -3.859 1.00 1.33 C ATOM 1032 C GLY A 98 -5.270 7.121 -3.569 1.00 1.38 C ATOM 1033 O GLY A 98 -5.191 8.141 -4.251 1.00 1.75 O ATOM 0 H GLY A 98 -5.308 4.092 -3.541 1.00 1.10 H new ATOM 0 HA2 GLY A 98 -3.328 6.202 -3.665 1.00 1.33 H new ATOM 0 HA3 GLY A 98 -4.432 5.668 -4.916 1.00 1.33 H new ATOM 1037 N GLY A 99 -6.143 7.000 -2.565 1.00 1.41 N ATOM 1038 CA GLY A 99 -7.166 7.986 -2.223 1.00 1.83 C ATOM 1039 C GLY A 99 -6.592 9.381 -1.962 1.00 1.99 C ATOM 1040 O GLY A 99 -6.999 10.332 -2.638 1.00 2.24 O ATOM 0 H GLY A 99 -6.156 6.187 -1.950 1.00 1.41 H new ATOM 0 HA2 GLY A 99 -7.892 8.044 -3.034 1.00 1.83 H new ATOM 0 HA3 GLY A 99 -7.705 7.650 -1.337 1.00 1.83 H new ATOM 1044 N PRO A 100 -5.626 9.523 -1.036 1.00 1.97 N ATOM 1045 CA PRO A 100 -5.124 10.832 -0.633 1.00 2.16 C ATOM 1046 C PRO A 100 -3.947 11.358 -1.482 1.00 1.84 C ATOM 1047 O PRO A 100 -3.533 12.507 -1.307 1.00 1.99 O ATOM 1048 CB PRO A 100 -4.796 10.641 0.848 1.00 2.43 C ATOM 1049 CG PRO A 100 -4.301 9.202 0.935 1.00 2.23 C ATOM 1050 CD PRO A 100 -5.188 8.499 -0.091 1.00 2.01 C ATOM 0 HA PRO A 100 -5.857 11.622 -0.798 1.00 2.16 H new ATOM 0 HB2 PRO A 100 -4.034 11.346 1.182 1.00 2.43 H new ATOM 0 HB3 PRO A 100 -5.674 10.800 1.475 1.00 2.43 H new ATOM 0 HG2 PRO A 100 -3.243 9.119 0.685 1.00 2.23 H new ATOM 0 HG3 PRO A 100 -4.426 8.787 1.935 1.00 2.23 H new ATOM 0 HD2 PRO A 100 -4.637 7.710 -0.603 1.00 2.01 H new ATOM 0 HD3 PRO A 100 -6.043 8.028 0.394 1.00 2.01 H new ATOM 1058 N VAL A 101 -3.407 10.562 -2.412 1.00 1.54 N ATOM 1059 CA VAL A 101 -2.194 10.811 -3.183 1.00 1.39 C ATOM 1060 C VAL A 101 -2.465 11.038 -4.679 1.00 1.53 C ATOM 1061 O VAL A 101 -3.513 10.660 -5.205 1.00 1.86 O ATOM 1062 CB VAL A 101 -1.261 9.608 -2.975 1.00 1.22 C ATOM 1063 CG1 VAL A 101 -0.833 9.445 -1.514 1.00 1.98 C ATOM 1064 CG2 VAL A 101 -1.861 8.273 -3.413 1.00 1.98 C ATOM 0 H VAL A 101 -3.837 9.671 -2.658 1.00 1.54 H new ATOM 0 HA VAL A 101 -1.735 11.734 -2.829 1.00 1.39 H new ATOM 0 HB VAL A 101 -0.405 9.843 -3.607 1.00 1.22 H new ATOM 0 HG11 VAL A 101 -0.175 8.581 -1.422 1.00 1.98 H new ATOM 0 HG12 VAL A 101 -0.304 10.340 -1.188 1.00 1.98 H new ATOM 0 HG13 VAL A 101 -1.715 9.297 -0.891 1.00 1.98 H new ATOM 0 HG21 VAL A 101 -1.141 7.474 -3.234 1.00 1.98 H new ATOM 0 HG22 VAL A 101 -2.769 8.078 -2.843 1.00 1.98 H new ATOM 0 HG23 VAL A 101 -2.101 8.313 -4.475 1.00 1.98 H new ATOM 1074 N HIS A 102 -1.480 11.602 -5.383 1.00 1.37 N ATOM 1075 CA HIS A 102 -1.471 11.744 -6.846 1.00 1.45 C ATOM 1076 C HIS A 102 -0.736 10.583 -7.547 1.00 1.40 C ATOM 1077 O HIS A 102 -1.086 10.217 -8.675 1.00 1.59 O ATOM 1078 CB HIS A 102 -0.827 13.087 -7.208 1.00 1.44 C ATOM 1079 CG HIS A 102 -1.658 14.279 -6.802 1.00 2.45 C ATOM 1080 ND1 HIS A 102 -2.614 14.903 -7.565 1.00 3.21 N ATOM 1081 CD2 HIS A 102 -1.611 14.939 -5.609 1.00 3.21 C ATOM 1082 CE1 HIS A 102 -3.120 15.928 -6.862 1.00 4.43 C ATOM 1083 NE2 HIS A 102 -2.541 15.989 -5.647 1.00 4.49 N ATOM 0 H HIS A 102 -0.643 11.983 -4.942 1.00 1.37 H new ATOM 0 HA HIS A 102 -2.502 11.713 -7.199 1.00 1.45 H new ATOM 0 HB2 HIS A 102 0.150 13.154 -6.729 1.00 1.44 H new ATOM 0 HB3 HIS A 102 -0.657 13.122 -8.284 1.00 1.44 H new ATOM 0 HD2 HIS A 102 -0.967 14.695 -4.777 1.00 3.21 H new ATOM 0 HE1 HIS A 102 -3.881 16.606 -7.219 1.00 4.43 H new ATOM 0 HE2 HIS A 102 -2.738 16.661 -4.906 1.00 4.49 H new ATOM 1091 N ALA A 103 0.249 9.975 -6.875 1.00 1.20 N ATOM 1092 CA ALA A 103 0.988 8.806 -7.345 1.00 1.16 C ATOM 1093 C ALA A 103 1.415 7.869 -6.204 1.00 0.97 C ATOM 1094 O ALA A 103 1.735 8.311 -5.095 1.00 0.90 O ATOM 1095 CB ALA A 103 2.236 9.256 -8.088 1.00 1.19 C ATOM 0 H ALA A 103 0.561 10.297 -5.959 1.00 1.20 H new ATOM 0 HA ALA A 103 0.314 8.253 -7.999 1.00 1.16 H new ATOM 0 HB1 ALA A 103 2.786 8.382 -8.438 1.00 1.19 H new ATOM 0 HB2 ALA A 103 1.950 9.870 -8.942 1.00 1.19 H new ATOM 0 HB3 ALA A 103 2.868 9.838 -7.418 1.00 1.19 H new ATOM 1101 N LEU A 104 1.492 6.573 -6.501 1.00 0.93 N ATOM 1102 CA LEU A 104 1.997 5.551 -5.604 1.00 0.77 C ATOM 1103 C LEU A 104 2.489 4.276 -6.296 1.00 0.75 C ATOM 1104 O LEU A 104 1.894 3.829 -7.279 1.00 0.92 O ATOM 1105 CB LEU A 104 0.943 5.217 -4.546 1.00 0.84 C ATOM 1106 CG LEU A 104 -0.286 4.357 -4.887 1.00 0.94 C ATOM 1107 CD1 LEU A 104 -1.038 4.150 -3.570 1.00 1.08 C ATOM 1108 CD2 LEU A 104 -1.230 5.009 -5.898 1.00 1.30 C ATOM 0 H LEU A 104 1.194 6.200 -7.402 1.00 0.93 H new ATOM 0 HA LEU A 104 2.883 5.979 -5.135 1.00 0.77 H new ATOM 0 HB2 LEU A 104 1.462 4.720 -3.726 1.00 0.84 H new ATOM 0 HB3 LEU A 104 0.570 6.165 -4.158 1.00 0.84 H new ATOM 0 HG LEU A 104 0.052 3.428 -5.347 1.00 0.94 H new ATOM 0 HD11 LEU A 104 -1.925 3.543 -3.749 1.00 1.08 H new ATOM 0 HD12 LEU A 104 -0.389 3.642 -2.856 1.00 1.08 H new ATOM 0 HD13 LEU A 104 -1.336 5.117 -3.165 1.00 1.08 H new ATOM 0 HD21 LEU A 104 -2.073 4.345 -6.090 1.00 1.30 H new ATOM 0 HD22 LEU A 104 -1.596 5.954 -5.497 1.00 1.30 H new ATOM 0 HD23 LEU A 104 -0.695 5.193 -6.829 1.00 1.30 H new ATOM 1120 N ALA A 105 3.507 3.641 -5.711 1.00 0.67 N ATOM 1121 CA ALA A 105 3.955 2.292 -6.081 1.00 0.73 C ATOM 1122 C ALA A 105 3.958 1.329 -4.874 1.00 0.70 C ATOM 1123 O ALA A 105 4.234 1.730 -3.739 1.00 0.68 O ATOM 1124 CB ALA A 105 5.273 2.380 -6.856 1.00 0.92 C ATOM 0 H ALA A 105 4.053 4.054 -4.955 1.00 0.67 H new ATOM 0 HA ALA A 105 3.235 1.837 -6.762 1.00 0.73 H new ATOM 0 HB1 ALA A 105 5.602 1.377 -7.129 1.00 0.92 H new ATOM 0 HB2 ALA A 105 5.125 2.972 -7.759 1.00 0.92 H new ATOM 0 HB3 ALA A 105 6.031 2.854 -6.232 1.00 0.92 H new ATOM 1130 N ILE A 106 3.565 0.072 -5.105 1.00 0.75 N ATOM 1131 CA ILE A 106 3.206 -0.891 -4.059 1.00 0.65 C ATOM 1132 C ILE A 106 3.908 -2.245 -4.220 1.00 0.50 C ATOM 1133 O ILE A 106 4.178 -2.688 -5.335 1.00 0.49 O ATOM 1134 CB ILE A 106 1.667 -1.060 -3.977 1.00 0.80 C ATOM 1135 CG1 ILE A 106 1.014 -1.797 -5.173 1.00 0.77 C ATOM 1136 CG2 ILE A 106 0.975 0.303 -3.785 1.00 1.08 C ATOM 1137 CD1 ILE A 106 0.848 -3.312 -4.973 1.00 1.19 C ATOM 0 H ILE A 106 3.486 -0.313 -6.046 1.00 0.75 H new ATOM 0 HA ILE A 106 3.563 -0.478 -3.116 1.00 0.65 H new ATOM 0 HB ILE A 106 1.516 -1.702 -3.109 1.00 0.80 H new ATOM 0 HG12 ILE A 106 0.034 -1.359 -5.363 1.00 0.77 H new ATOM 0 HG13 ILE A 106 1.618 -1.625 -6.064 1.00 0.77 H new ATOM 0 HG21 ILE A 106 -0.104 0.159 -3.730 1.00 1.08 H new ATOM 0 HG22 ILE A 106 1.327 0.763 -2.862 1.00 1.08 H new ATOM 0 HG23 ILE A 106 1.212 0.953 -4.627 1.00 1.08 H new ATOM 0 HD11 ILE A 106 0.383 -3.747 -5.858 1.00 1.19 H new ATOM 0 HD12 ILE A 106 1.826 -3.767 -4.815 1.00 1.19 H new ATOM 0 HD13 ILE A 106 0.217 -3.497 -4.104 1.00 1.19 H new ATOM 1149 N GLN A 107 4.115 -2.939 -3.101 1.00 0.48 N ATOM 1150 CA GLN A 107 4.462 -4.359 -3.027 1.00 0.49 C ATOM 1151 C GLN A 107 3.367 -5.122 -2.254 1.00 0.58 C ATOM 1152 O GLN A 107 3.236 -4.947 -1.042 1.00 0.62 O ATOM 1153 CB GLN A 107 5.839 -4.519 -2.352 1.00 0.66 C ATOM 1154 CG GLN A 107 7.036 -4.328 -3.299 1.00 0.83 C ATOM 1155 CD GLN A 107 7.484 -2.881 -3.475 1.00 1.89 C ATOM 1156 OE1 GLN A 107 8.074 -2.282 -2.581 1.00 2.95 O ATOM 1157 NE2 GLN A 107 7.285 -2.297 -4.633 1.00 2.85 N ATOM 0 H GLN A 107 4.042 -2.508 -2.180 1.00 0.48 H new ATOM 0 HA GLN A 107 4.523 -4.779 -4.031 1.00 0.49 H new ATOM 0 HB2 GLN A 107 5.917 -3.799 -1.538 1.00 0.66 H new ATOM 0 HB3 GLN A 107 5.899 -5.512 -1.906 1.00 0.66 H new ATOM 0 HG2 GLN A 107 7.876 -4.911 -2.923 1.00 0.83 H new ATOM 0 HG3 GLN A 107 6.777 -4.736 -4.276 1.00 0.83 H new ATOM 0 HE21 GLN A 107 6.795 -2.794 -5.377 1.00 2.85 H new ATOM 0 HE22 GLN A 107 7.621 -1.347 -4.789 1.00 2.85 H new ATOM 1166 N ALA A 108 2.595 -5.982 -2.931 1.00 0.76 N ATOM 1167 CA ALA A 108 1.548 -6.822 -2.323 1.00 0.83 C ATOM 1168 C ALA A 108 2.009 -8.282 -2.155 1.00 0.86 C ATOM 1169 O ALA A 108 2.395 -8.903 -3.150 1.00 0.98 O ATOM 1170 CB ALA A 108 0.263 -6.716 -3.152 1.00 0.96 C ATOM 0 H ALA A 108 2.681 -6.118 -3.938 1.00 0.76 H new ATOM 0 HA ALA A 108 1.344 -6.454 -1.317 1.00 0.83 H new ATOM 0 HB1 ALA A 108 -0.512 -7.337 -2.703 1.00 0.96 H new ATOM 0 HB2 ALA A 108 -0.071 -5.679 -3.174 1.00 0.96 H new ATOM 0 HB3 ALA A 108 0.457 -7.057 -4.169 1.00 0.96 H new ATOM 1176 N ARG A 109 2.003 -8.830 -0.927 1.00 0.86 N ATOM 1177 CA ARG A 109 2.606 -10.152 -0.589 1.00 0.88 C ATOM 1178 C ARG A 109 1.829 -10.967 0.465 1.00 0.87 C ATOM 1179 O ARG A 109 0.809 -10.514 0.980 1.00 0.94 O ATOM 1180 CB ARG A 109 4.075 -9.938 -0.145 1.00 0.95 C ATOM 1181 CG ARG A 109 5.047 -9.717 -1.316 1.00 1.27 C ATOM 1182 CD ARG A 109 5.234 -8.238 -1.668 1.00 1.45 C ATOM 1183 NE ARG A 109 5.240 -8.023 -3.126 1.00 2.48 N ATOM 1184 CZ ARG A 109 6.278 -7.760 -3.892 1.00 2.50 C ATOM 1185 NH1 ARG A 109 7.503 -7.833 -3.481 1.00 2.29 N ATOM 1186 NH2 ARG A 109 6.092 -7.371 -5.110 1.00 3.76 N ATOM 0 H ARG A 109 1.576 -8.369 -0.124 1.00 0.86 H new ATOM 0 HA ARG A 109 2.557 -10.756 -1.495 1.00 0.88 H new ATOM 0 HB2 ARG A 109 4.122 -9.078 0.523 1.00 0.95 H new ATOM 0 HB3 ARG A 109 4.402 -10.805 0.429 1.00 0.95 H new ATOM 0 HG2 ARG A 109 6.015 -10.150 -1.064 1.00 1.27 H new ATOM 0 HG3 ARG A 109 4.678 -10.250 -2.193 1.00 1.27 H new ATOM 0 HD2 ARG A 109 4.433 -7.652 -1.217 1.00 1.45 H new ATOM 0 HD3 ARG A 109 6.171 -7.878 -1.243 1.00 1.45 H new ATOM 0 HE ARG A 109 4.337 -8.085 -3.595 1.00 2.48 H new ATOM 0 HH11 ARG A 109 7.703 -8.106 -2.519 1.00 2.29 H new ATOM 0 HH12 ARG A 109 8.269 -7.618 -4.119 1.00 2.29 H new ATOM 0 HH21 ARG A 109 5.145 -7.269 -5.474 1.00 3.76 H new ATOM 0 HH22 ARG A 109 6.893 -7.166 -5.708 1.00 3.76 H new ATOM 1200 N THR A 110 2.324 -12.158 0.820 1.00 0.86 N ATOM 1201 CA THR A 110 1.778 -13.024 1.890 1.00 0.84 C ATOM 1202 C THR A 110 2.793 -13.294 3.035 1.00 0.79 C ATOM 1203 O THR A 110 4.016 -13.124 2.868 1.00 0.88 O ATOM 1204 CB THR A 110 1.209 -14.329 1.300 1.00 1.07 C ATOM 1205 OG1 THR A 110 2.240 -15.126 0.795 1.00 1.16 O ATOM 1206 CG2 THR A 110 0.206 -14.107 0.173 1.00 1.19 C ATOM 0 H THR A 110 3.140 -12.565 0.362 1.00 0.86 H new ATOM 0 HA THR A 110 0.957 -12.476 2.353 1.00 0.84 H new ATOM 0 HB THR A 110 0.691 -14.815 2.127 1.00 1.07 H new ATOM 0 HG1 THR A 110 1.864 -15.952 0.425 1.00 1.16 H new ATOM 0 HG21 THR A 110 -0.151 -15.070 -0.192 1.00 1.19 H new ATOM 0 HG22 THR A 110 -0.637 -13.525 0.546 1.00 1.19 H new ATOM 0 HG23 THR A 110 0.688 -13.566 -0.642 1.00 1.19 H new ATOM 1214 N PRO A 111 2.327 -13.665 4.250 1.00 0.72 N ATOM 1215 CA PRO A 111 3.211 -13.731 5.411 1.00 0.79 C ATOM 1216 C PRO A 111 4.312 -14.789 5.286 1.00 0.96 C ATOM 1217 O PRO A 111 5.449 -14.458 5.587 1.00 1.06 O ATOM 1218 CB PRO A 111 2.321 -13.937 6.641 1.00 0.76 C ATOM 1219 CG PRO A 111 1.039 -14.525 6.056 1.00 0.84 C ATOM 1220 CD PRO A 111 0.947 -13.860 4.682 1.00 0.67 C ATOM 0 HA PRO A 111 3.770 -12.799 5.499 1.00 0.79 H new ATOM 0 HB2 PRO A 111 2.781 -14.614 7.361 1.00 0.76 H new ATOM 0 HB3 PRO A 111 2.131 -12.998 7.162 1.00 0.76 H new ATOM 0 HG2 PRO A 111 1.094 -15.611 5.975 1.00 0.84 H new ATOM 0 HG3 PRO A 111 0.171 -14.295 6.674 1.00 0.84 H new ATOM 0 HD2 PRO A 111 0.400 -14.488 3.978 1.00 0.67 H new ATOM 0 HD3 PRO A 111 0.416 -12.910 4.741 1.00 0.67 H new ATOM 1228 N ALA A 112 4.074 -16.010 4.791 1.00 1.05 N ATOM 1229 CA ALA A 112 5.122 -17.046 4.799 1.00 1.20 C ATOM 1230 C ALA A 112 6.299 -16.752 3.836 1.00 1.27 C ATOM 1231 O ALA A 112 7.398 -17.277 4.025 1.00 1.50 O ATOM 1232 CB ALA A 112 4.495 -18.421 4.543 1.00 1.28 C ATOM 0 H ALA A 112 3.185 -16.304 4.387 1.00 1.05 H new ATOM 0 HA ALA A 112 5.572 -17.041 5.792 1.00 1.20 H new ATOM 0 HB1 ALA A 112 5.274 -19.183 4.550 1.00 1.28 H new ATOM 0 HB2 ALA A 112 3.766 -18.640 5.324 1.00 1.28 H new ATOM 0 HB3 ALA A 112 3.998 -18.419 3.573 1.00 1.28 H new ATOM 1238 N GLN A 113 6.107 -15.877 2.842 1.00 1.17 N ATOM 1239 CA GLN A 113 7.186 -15.293 2.026 1.00 1.28 C ATOM 1240 C GLN A 113 7.816 -14.064 2.699 1.00 1.28 C ATOM 1241 O GLN A 113 9.047 -13.973 2.711 1.00 1.42 O ATOM 1242 CB GLN A 113 6.714 -15.054 0.585 1.00 1.35 C ATOM 1243 CG GLN A 113 5.434 -14.221 0.465 1.00 1.45 C ATOM 1244 CD GLN A 113 4.931 -14.046 -0.968 1.00 1.77 C ATOM 1245 OE1 GLN A 113 4.613 -12.944 -1.399 1.00 2.09 O ATOM 1246 NE2 GLN A 113 4.826 -15.099 -1.745 1.00 2.57 N ATOM 0 H GLN A 113 5.180 -15.546 2.574 1.00 1.17 H new ATOM 0 HA GLN A 113 7.999 -16.015 1.957 1.00 1.28 H new ATOM 0 HB2 GLN A 113 7.510 -14.554 0.034 1.00 1.35 H new ATOM 0 HB3 GLN A 113 6.551 -16.019 0.105 1.00 1.35 H new ATOM 0 HG2 GLN A 113 4.650 -14.693 1.058 1.00 1.45 H new ATOM 0 HG3 GLN A 113 5.613 -13.237 0.898 1.00 1.45 H new ATOM 0 HE21 GLN A 113 5.089 -16.020 -1.394 1.00 2.57 H new ATOM 0 HE22 GLN A 113 4.482 -14.996 -2.700 1.00 2.57 H new ATOM 1255 N TRP A 114 7.047 -13.188 3.376 1.00 1.13 N ATOM 1256 CA TRP A 114 7.700 -12.180 4.243 1.00 1.10 C ATOM 1257 C TRP A 114 8.588 -12.813 5.343 1.00 1.26 C ATOM 1258 O TRP A 114 9.671 -12.304 5.643 1.00 1.38 O ATOM 1259 CB TRP A 114 6.673 -11.251 4.903 1.00 0.91 C ATOM 1260 CG TRP A 114 7.274 -10.091 5.611 1.00 0.96 C ATOM 1261 CD1 TRP A 114 7.703 -10.088 6.891 1.00 1.14 C ATOM 1262 CD2 TRP A 114 7.422 -8.724 5.124 1.00 0.94 C ATOM 1263 NE1 TRP A 114 8.056 -8.805 7.244 1.00 1.07 N ATOM 1264 CE2 TRP A 114 7.765 -7.912 6.238 1.00 0.95 C ATOM 1265 CE3 TRP A 114 7.201 -8.066 3.893 1.00 0.99 C ATOM 1266 CZ2 TRP A 114 7.669 -6.520 6.191 1.00 1.07 C ATOM 1267 CZ3 TRP A 114 7.178 -6.658 3.818 1.00 1.14 C ATOM 1268 CH2 TRP A 114 7.376 -5.882 4.973 1.00 1.21 C ATOM 0 H TRP A 114 6.028 -13.152 3.347 1.00 1.13 H new ATOM 0 HA TRP A 114 8.342 -11.602 3.579 1.00 1.10 H new ATOM 0 HB2 TRP A 114 5.988 -10.882 4.139 1.00 0.91 H new ATOM 0 HB3 TRP A 114 6.079 -11.828 5.612 1.00 0.91 H new ATOM 0 HD1 TRP A 114 7.760 -10.953 7.535 1.00 1.14 H new ATOM 0 HE1 TRP A 114 8.479 -8.549 8.136 1.00 1.07 H new ATOM 0 HE3 TRP A 114 7.048 -8.650 2.997 1.00 0.99 H new ATOM 0 HZ2 TRP A 114 7.819 -5.936 7.087 1.00 1.07 H new ATOM 0 HZ3 TRP A 114 7.007 -6.173 2.868 1.00 1.14 H new ATOM 0 HH2 TRP A 114 7.304 -4.805 4.925 1.00 1.21 H new ATOM 1279 N ARG A 115 8.145 -13.935 5.924 1.00 1.29 N ATOM 1280 CA ARG A 115 8.747 -14.608 7.099 1.00 1.40 C ATOM 1281 C ARG A 115 10.043 -15.336 6.765 1.00 1.53 C ATOM 1282 O ARG A 115 11.000 -15.289 7.540 1.00 1.66 O ATOM 1283 CB ARG A 115 7.747 -15.615 7.697 1.00 1.46 C ATOM 1284 CG ARG A 115 6.487 -14.975 8.302 1.00 1.44 C ATOM 1285 CD ARG A 115 6.505 -14.857 9.822 1.00 1.89 C ATOM 1286 NE ARG A 115 7.538 -13.917 10.297 1.00 3.02 N ATOM 1287 CZ ARG A 115 8.518 -14.154 11.148 1.00 3.98 C ATOM 1288 NH1 ARG A 115 8.786 -15.327 11.638 1.00 4.59 N ATOM 1289 NH2 ARG A 115 9.303 -13.200 11.540 1.00 5.03 N ATOM 0 H ARG A 115 7.321 -14.426 5.578 1.00 1.29 H new ATOM 0 HA ARG A 115 8.984 -13.825 7.820 1.00 1.40 H new ATOM 0 HB2 ARG A 115 7.446 -16.316 6.918 1.00 1.46 H new ATOM 0 HB3 ARG A 115 8.252 -16.195 8.470 1.00 1.46 H new ATOM 0 HG2 ARG A 115 6.359 -13.980 7.875 1.00 1.44 H new ATOM 0 HG3 ARG A 115 5.618 -15.563 8.006 1.00 1.44 H new ATOM 0 HD2 ARG A 115 5.527 -14.525 10.170 1.00 1.89 H new ATOM 0 HD3 ARG A 115 6.682 -15.840 10.259 1.00 1.89 H new ATOM 0 HE ARG A 115 7.489 -12.970 9.922 1.00 3.02 H new ATOM 0 HH11 ARG A 115 8.223 -16.133 11.368 1.00 4.59 H new ATOM 0 HH12 ARG A 115 9.560 -15.442 12.293 1.00 4.59 H new ATOM 0 HH21 ARG A 115 9.167 -12.252 11.190 1.00 5.03 H new ATOM 0 HH22 ARG A 115 10.057 -13.398 12.198 1.00 5.03 H new ATOM 1303 N GLU A 116 10.076 -15.998 5.611 1.00 1.56 N ATOM 1304 CA GLU A 116 11.262 -16.705 5.122 1.00 1.80 C ATOM 1305 C GLU A 116 12.218 -15.813 4.323 1.00 2.03 C ATOM 1306 O GLU A 116 13.412 -16.118 4.269 1.00 2.72 O ATOM 1307 CB GLU A 116 10.844 -17.903 4.255 1.00 1.89 C ATOM 1308 CG GLU A 116 10.277 -19.069 5.076 1.00 2.35 C ATOM 1309 CD GLU A 116 10.405 -20.385 4.303 1.00 2.77 C ATOM 1310 OE1 GLU A 116 9.406 -20.850 3.703 1.00 3.96 O ATOM 1311 OE2 GLU A 116 11.518 -20.967 4.295 1.00 2.88 O ATOM 0 H GLU A 116 9.275 -16.061 4.982 1.00 1.56 H new ATOM 0 HA GLU A 116 11.801 -17.041 6.008 1.00 1.80 H new ATOM 0 HB2 GLU A 116 10.096 -17.578 3.532 1.00 1.89 H new ATOM 0 HB3 GLU A 116 11.706 -18.252 3.687 1.00 1.89 H new ATOM 0 HG2 GLU A 116 10.808 -19.145 6.025 1.00 2.35 H new ATOM 0 HG3 GLU A 116 9.230 -18.880 5.311 1.00 2.35 H new ATOM 1318 N ASN A 117 11.726 -14.765 3.648 1.00 1.66 N ATOM 1319 CA ASN A 117 12.492 -14.139 2.567 1.00 2.20 C ATOM 1320 C ASN A 117 12.429 -12.599 2.471 1.00 1.81 C ATOM 1321 O ASN A 117 13.063 -12.040 1.578 1.00 2.46 O ATOM 1322 CB ASN A 117 12.026 -14.832 1.273 1.00 3.08 C ATOM 1323 CG ASN A 117 13.061 -14.704 0.184 1.00 3.64 C ATOM 1324 OD1 ASN A 117 14.177 -15.189 0.319 1.00 4.10 O ATOM 1325 ND2 ASN A 117 12.726 -14.057 -0.899 1.00 4.35 N ATOM 0 H ASN A 117 10.816 -14.340 3.829 1.00 1.66 H new ATOM 0 HA ASN A 117 13.553 -14.286 2.769 1.00 2.20 H new ATOM 0 HB2 ASN A 117 11.831 -15.886 1.471 1.00 3.08 H new ATOM 0 HB3 ASN A 117 11.086 -14.392 0.939 1.00 3.08 H new ATOM 0 HD21 ASN A 117 13.400 -13.947 -1.656 1.00 4.35 H new ATOM 0 HD22 ASN A 117 11.790 -13.662 -0.988 1.00 4.35 H new ATOM 1332 N SER A 118 11.644 -11.921 3.321 1.00 1.75 N ATOM 1333 CA SER A 118 11.235 -10.495 3.256 1.00 2.58 C ATOM 1334 C SER A 118 10.536 -10.015 1.969 1.00 3.07 C ATOM 1335 O SER A 118 9.896 -8.963 2.002 1.00 4.10 O ATOM 1336 CB SER A 118 12.352 -9.527 3.680 1.00 3.36 C ATOM 1337 OG SER A 118 13.394 -9.423 2.731 1.00 4.34 O ATOM 0 H SER A 118 11.244 -12.383 4.137 1.00 1.75 H new ATOM 0 HA SER A 118 10.441 -10.467 4.002 1.00 2.58 H new ATOM 0 HB2 SER A 118 11.923 -8.539 3.847 1.00 3.36 H new ATOM 0 HB3 SER A 118 12.768 -9.859 4.631 1.00 3.36 H new ATOM 0 HG SER A 118 13.428 -10.241 2.192 1.00 4.34 H new TER 1343 SER A 118