USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 504 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 59 GLN : amide:sc= -0.542 K(o=-0.003,f=1) USER MOD Set 1.2: A 63 ASN : amide:sc= 0.539 X(o=-0.003,f=0.053) USER MOD Set 2.1: A 29 HIS : no HD1:sc= -3.95! C(o=-4.2!,f=-9.5!) USER MOD Set 2.2: A 46 SER OG : rot 180:sc= -0.228 USER MOD Set 3.1: A 20 HIS : no HD1:sc= 0.0867 K(o=0.27,f=-0.49) USER MOD Set 3.2: A 61 TYR OH : rot 170:sc= 0.18 USER MOD Set 4.1: A 15 HIS : no HD1:sc= -0.207 K(o=0.033,f=-4.2) USER MOD Set 4.2: A 33 LYS NZ :NH3+ 177:sc= 0.24 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0586 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -158:sc= -2.08 (180deg=-2.69!) USER MOD Single : A 12 MET CE :methyl 170:sc= -3.65 (180deg=-4.12!) USER MOD Single : A 13 MET CE :methyl -159:sc= -5.28! (180deg=-7.33!) USER MOD Single : A 19 ASN : amide:sc= 0.04 K(o=0.04,f=-4.9!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 4:sc= 2.76! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 150:sc= 1.17 USER MOD Single : A 58 LYS NZ :NH3+ -135:sc= 0.359 (180deg=-1.16) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc=-0.00247 X(o=-0.0025,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.320 -4.391 -9.155 1.00 0.00 N ATOM 2 CA GLY A 1 -21.588 -3.793 -10.257 1.00 0.00 C ATOM 3 C GLY A 1 -22.197 -4.125 -11.605 1.00 0.00 C ATOM 4 O GLY A 1 -21.657 -4.941 -12.353 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.864 -4.135 -8.256 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.300 -4.042 -9.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.321 -5.426 -9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.565 -2.711 -10.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.555 -4.139 -10.233 1.00 0.00 H new ATOM 8 N SER A 2 -23.324 -3.493 -11.916 1.00 0.00 N ATOM 9 CA SER A 2 -24.009 -3.730 -13.181 1.00 0.00 C ATOM 10 C SER A 2 -23.097 -3.410 -14.361 1.00 0.00 C ATOM 11 O SER A 2 -23.006 -4.180 -15.316 1.00 0.00 O ATOM 12 CB SER A 2 -25.282 -2.885 -13.262 1.00 0.00 C ATOM 13 OG SER A 2 -24.978 -1.501 -13.242 1.00 0.00 O ATOM 0 H SER A 2 -23.782 -2.813 -11.309 1.00 0.00 H new ATOM 0 HA SER A 2 -24.278 -4.785 -13.228 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.826 -3.128 -14.175 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.938 -3.129 -12.426 1.00 0.00 H new ATOM 0 HG SER A 2 -25.808 -0.983 -13.297 1.00 0.00 H new ATOM 19 N SER A 3 -22.423 -2.266 -14.287 1.00 0.00 N ATOM 20 CA SER A 3 -21.520 -1.841 -15.350 1.00 0.00 C ATOM 21 C SER A 3 -20.077 -2.205 -15.015 1.00 0.00 C ATOM 22 O SER A 3 -19.721 -2.369 -13.849 1.00 0.00 O ATOM 23 CB SER A 3 -21.638 -0.332 -15.575 1.00 0.00 C ATOM 24 OG SER A 3 -21.044 0.390 -14.510 1.00 0.00 O ATOM 0 H SER A 3 -22.485 -1.617 -13.502 1.00 0.00 H new ATOM 0 HA SER A 3 -21.805 -2.361 -16.265 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.156 -0.062 -16.515 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.689 -0.055 -15.665 1.00 0.00 H new ATOM 0 HG SER A 3 -21.131 1.352 -14.678 1.00 0.00 H new ATOM 30 N GLY A 4 -19.250 -2.330 -16.049 1.00 0.00 N ATOM 31 CA GLY A 4 -17.855 -2.674 -15.845 1.00 0.00 C ATOM 32 C GLY A 4 -17.192 -1.810 -14.790 1.00 0.00 C ATOM 33 O GLY A 4 -17.596 -0.668 -14.570 1.00 0.00 O ATOM 0 H GLY A 4 -19.521 -2.199 -17.024 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.782 -3.721 -15.551 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.317 -2.569 -16.787 1.00 0.00 H new ATOM 37 N SER A 5 -16.173 -2.356 -14.134 1.00 0.00 N ATOM 38 CA SER A 5 -15.457 -1.629 -13.092 1.00 0.00 C ATOM 39 C SER A 5 -13.975 -1.990 -13.099 1.00 0.00 C ATOM 40 O SER A 5 -13.610 -3.160 -13.212 1.00 0.00 O ATOM 41 CB SER A 5 -16.062 -1.935 -11.720 1.00 0.00 C ATOM 42 OG SER A 5 -15.470 -1.134 -10.712 1.00 0.00 O ATOM 0 H SER A 5 -15.825 -3.299 -14.306 1.00 0.00 H new ATOM 0 HA SER A 5 -15.554 -0.562 -13.294 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.137 -1.758 -11.745 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.918 -2.989 -11.483 1.00 0.00 H new ATOM 0 HG SER A 5 -15.875 -1.347 -9.845 1.00 0.00 H new ATOM 48 N SER A 6 -13.125 -0.975 -12.978 1.00 0.00 N ATOM 49 CA SER A 6 -11.682 -1.183 -12.974 1.00 0.00 C ATOM 50 C SER A 6 -11.046 -0.555 -11.738 1.00 0.00 C ATOM 51 O SER A 6 -10.712 0.629 -11.731 1.00 0.00 O ATOM 52 CB SER A 6 -11.057 -0.592 -14.239 1.00 0.00 C ATOM 53 OG SER A 6 -9.670 -0.878 -14.305 1.00 0.00 O ATOM 0 H SER A 6 -13.411 -0.001 -12.881 1.00 0.00 H new ATOM 0 HA SER A 6 -11.495 -2.257 -12.952 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.557 -0.997 -15.119 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.210 0.487 -14.254 1.00 0.00 H new ATOM 0 HG SER A 6 -9.295 -0.491 -15.123 1.00 0.00 H new ATOM 59 N GLY A 7 -10.881 -1.359 -10.691 1.00 0.00 N ATOM 60 CA GLY A 7 -10.286 -0.865 -9.463 1.00 0.00 C ATOM 61 C GLY A 7 -8.788 -1.094 -9.412 1.00 0.00 C ATOM 62 O GLY A 7 -8.006 -0.226 -9.800 1.00 0.00 O ATOM 0 H GLY A 7 -11.149 -2.343 -10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.491 0.201 -9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.755 -1.358 -8.612 1.00 0.00 H new ATOM 66 N LYS A 8 -8.386 -2.265 -8.930 1.00 0.00 N ATOM 67 CA LYS A 8 -6.973 -2.606 -8.828 1.00 0.00 C ATOM 68 C LYS A 8 -6.736 -4.064 -9.209 1.00 0.00 C ATOM 69 O LYS A 8 -7.609 -4.919 -9.061 1.00 0.00 O ATOM 70 CB LYS A 8 -6.466 -2.351 -7.407 1.00 0.00 C ATOM 71 CG LYS A 8 -6.275 -0.879 -7.084 1.00 0.00 C ATOM 72 CD LYS A 8 -4.989 -0.339 -7.686 1.00 0.00 C ATOM 73 CE LYS A 8 -5.042 1.172 -7.852 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.548 1.880 -6.639 1.00 0.00 N ATOM 0 H LYS A 8 -9.020 -2.994 -8.604 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.422 -1.973 -9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.171 -2.782 -6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.518 -2.870 -7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.123 -0.309 -7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.257 -0.742 -6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.147 -0.607 -7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.815 -0.807 -8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.441 1.464 -8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.067 1.479 -8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.929 2.848 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.861 1.371 -5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.509 1.917 -6.658 1.00 0.00 H new ATOM 88 N PRO A 9 -5.527 -4.357 -9.711 1.00 0.00 N ATOM 89 CA PRO A 9 -5.147 -5.712 -10.121 1.00 0.00 C ATOM 90 C PRO A 9 -4.991 -6.655 -8.933 1.00 0.00 C ATOM 91 O PRO A 9 -4.853 -6.214 -7.793 1.00 0.00 O ATOM 92 CB PRO A 9 -3.801 -5.507 -10.821 1.00 0.00 C ATOM 93 CG PRO A 9 -3.250 -4.258 -10.223 1.00 0.00 C ATOM 94 CD PRO A 9 -4.437 -3.388 -9.915 1.00 0.00 C ATOM 0 HA PRO A 9 -5.906 -6.174 -10.753 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.135 -6.353 -10.654 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.926 -5.408 -11.899 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.681 -4.476 -9.319 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.571 -3.761 -10.915 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.269 -2.779 -9.027 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.656 -2.703 -10.734 1.00 0.00 H new ATOM 102 N GLU A 10 -5.014 -7.956 -9.209 1.00 0.00 N ATOM 103 CA GLU A 10 -4.876 -8.961 -8.161 1.00 0.00 C ATOM 104 C GLU A 10 -3.433 -9.447 -8.061 1.00 0.00 C ATOM 105 O GLU A 10 -2.948 -9.765 -6.975 1.00 0.00 O ATOM 106 CB GLU A 10 -5.807 -10.144 -8.432 1.00 0.00 C ATOM 107 CG GLU A 10 -5.725 -10.669 -9.856 1.00 0.00 C ATOM 108 CD GLU A 10 -6.614 -11.876 -10.085 1.00 0.00 C ATOM 109 OE1 GLU A 10 -6.496 -12.853 -9.316 1.00 0.00 O ATOM 110 OE2 GLU A 10 -7.427 -11.844 -11.032 1.00 0.00 O ATOM 0 H GLU A 10 -5.127 -8.338 -10.148 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.153 -8.501 -7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.565 -10.952 -7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.834 -9.843 -8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.009 -9.877 -10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.692 -10.935 -10.082 1.00 0.00 H new ATOM 117 N TRP A 11 -2.753 -9.502 -9.201 1.00 0.00 N ATOM 118 CA TRP A 11 -1.366 -9.950 -9.242 1.00 0.00 C ATOM 119 C TRP A 11 -0.478 -9.053 -8.387 1.00 0.00 C ATOM 120 O TRP A 11 0.447 -9.527 -7.728 1.00 0.00 O ATOM 121 CB TRP A 11 -0.857 -9.967 -10.684 1.00 0.00 C ATOM 122 CG TRP A 11 -1.027 -8.655 -11.389 1.00 0.00 C ATOM 123 CD1 TRP A 11 -2.164 -8.185 -11.982 1.00 0.00 C ATOM 124 CD2 TRP A 11 -0.028 -7.647 -11.577 1.00 0.00 C ATOM 125 NE1 TRP A 11 -1.932 -6.945 -12.527 1.00 0.00 N ATOM 126 CE2 TRP A 11 -0.630 -6.592 -12.291 1.00 0.00 C ATOM 127 CE3 TRP A 11 1.315 -7.531 -11.210 1.00 0.00 C ATOM 128 CZ2 TRP A 11 0.067 -5.440 -12.644 1.00 0.00 C ATOM 129 CZ3 TRP A 11 2.006 -6.387 -11.561 1.00 0.00 C ATOM 130 CH2 TRP A 11 1.381 -5.353 -12.272 1.00 0.00 C ATOM 0 H TRP A 11 -3.140 -9.242 -10.108 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.325 -10.961 -8.837 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.199 -10.238 -10.686 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.386 -10.741 -11.240 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.107 -8.711 -12.017 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.618 -6.379 -13.026 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.805 -8.322 -10.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.413 -4.643 -13.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.045 -6.288 -11.283 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.947 -4.471 -12.531 1.00 0.00 H new ATOM 141 N MET A 12 -0.766 -7.756 -8.401 1.00 0.00 N ATOM 142 CA MET A 12 0.006 -6.793 -7.625 1.00 0.00 C ATOM 143 C MET A 12 0.044 -7.188 -6.152 1.00 0.00 C ATOM 144 O MET A 12 -0.976 -7.564 -5.574 1.00 0.00 O ATOM 145 CB MET A 12 -0.588 -5.391 -7.774 1.00 0.00 C ATOM 146 CG MET A 12 -0.003 -4.604 -8.936 1.00 0.00 C ATOM 147 SD MET A 12 1.783 -4.399 -8.807 1.00 0.00 S ATOM 148 CE MET A 12 1.954 -2.662 -9.209 1.00 0.00 C ATOM 0 H MET A 12 -1.529 -7.348 -8.941 1.00 0.00 H new ATOM 0 HA MET A 12 1.026 -6.789 -8.009 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.666 -5.475 -7.909 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.424 -4.836 -6.850 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.240 -5.113 -9.870 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.475 -3.623 -8.979 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.974 -2.339 -9.001 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.734 -2.510 -10.266 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.258 -2.079 -8.606 1.00 0.00 H new ATOM 158 N MET A 13 1.225 -7.100 -5.550 1.00 0.00 N ATOM 159 CA MET A 13 1.394 -7.447 -4.144 1.00 0.00 C ATOM 160 C MET A 13 1.909 -6.253 -3.347 1.00 0.00 C ATOM 161 O MET A 13 2.279 -5.227 -3.918 1.00 0.00 O ATOM 162 CB MET A 13 2.359 -8.626 -4.000 1.00 0.00 C ATOM 163 CG MET A 13 2.436 -9.503 -5.239 1.00 0.00 C ATOM 164 SD MET A 13 3.930 -9.210 -6.205 1.00 0.00 S ATOM 165 CE MET A 13 3.304 -8.110 -7.472 1.00 0.00 C ATOM 0 H MET A 13 2.079 -6.791 -6.014 1.00 0.00 H new ATOM 0 HA MET A 13 0.420 -7.733 -3.747 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.354 -8.244 -3.772 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.050 -9.236 -3.151 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.401 -10.551 -4.941 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.562 -9.320 -5.864 1.00 0.00 H new ATOM 0 HE1 MET A 13 3.971 -8.131 -8.334 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.308 -8.433 -7.775 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.252 -7.095 -7.079 1.00 0.00 H new ATOM 175 N ILE A 14 1.929 -6.393 -2.025 1.00 0.00 N ATOM 176 CA ILE A 14 2.400 -5.326 -1.151 1.00 0.00 C ATOM 177 C ILE A 14 3.577 -5.790 -0.301 1.00 0.00 C ATOM 178 O ILE A 14 3.396 -6.283 0.813 1.00 0.00 O ATOM 179 CB ILE A 14 1.278 -4.822 -0.224 1.00 0.00 C ATOM 180 CG1 ILE A 14 0.101 -4.298 -1.049 1.00 0.00 C ATOM 181 CG2 ILE A 14 1.805 -3.739 0.705 1.00 0.00 C ATOM 182 CD1 ILE A 14 -0.891 -3.491 -0.241 1.00 0.00 C ATOM 0 H ILE A 14 1.624 -7.235 -1.536 1.00 0.00 H new ATOM 0 HA ILE A 14 2.722 -4.509 -1.796 1.00 0.00 H new ATOM 0 HB ILE A 14 0.928 -5.656 0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.484 -3.680 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.416 -5.142 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.000 -3.393 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.613 -4.144 1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.179 -2.903 0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.698 -3.152 -0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.302 -4.112 0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.388 -2.627 0.195 1.00 0.00 H new ATOM 194 N HIS A 15 4.784 -5.629 -0.833 1.00 0.00 N ATOM 195 CA HIS A 15 5.993 -6.029 -0.122 1.00 0.00 C ATOM 196 C HIS A 15 5.912 -5.639 1.351 1.00 0.00 C ATOM 197 O HIS A 15 5.908 -6.499 2.231 1.00 0.00 O ATOM 198 CB HIS A 15 7.224 -5.388 -0.764 1.00 0.00 C ATOM 199 CG HIS A 15 8.508 -6.076 -0.416 1.00 0.00 C ATOM 200 ND1 HIS A 15 9.297 -6.715 -1.349 1.00 0.00 N ATOM 201 CD2 HIS A 15 9.141 -6.221 0.772 1.00 0.00 C ATOM 202 CE1 HIS A 15 10.358 -7.225 -0.750 1.00 0.00 C ATOM 203 NE2 HIS A 15 10.288 -6.939 0.537 1.00 0.00 N ATOM 0 H HIS A 15 4.951 -5.224 -1.754 1.00 0.00 H new ATOM 0 HA HIS A 15 6.081 -7.113 -0.188 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.102 -5.391 -1.847 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.284 -4.345 -0.453 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.806 -5.843 1.727 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.149 -7.781 -1.231 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.974 -7.208 1.242 1.00 0.00 H new ATOM 212 N ARG A 16 5.847 -4.337 1.610 1.00 0.00 N ATOM 213 CA ARG A 16 5.768 -3.834 2.976 1.00 0.00 C ATOM 214 C ARG A 16 5.502 -2.331 2.987 1.00 0.00 C ATOM 215 O ARG A 16 5.945 -1.606 2.096 1.00 0.00 O ATOM 216 CB ARG A 16 7.063 -4.138 3.731 1.00 0.00 C ATOM 217 CG ARG A 16 8.263 -3.357 3.221 1.00 0.00 C ATOM 218 CD ARG A 16 9.352 -3.256 4.278 1.00 0.00 C ATOM 219 NE ARG A 16 10.460 -2.409 3.843 1.00 0.00 N ATOM 220 CZ ARG A 16 11.595 -2.279 4.520 1.00 0.00 C ATOM 221 NH1 ARG A 16 11.772 -2.937 5.657 1.00 0.00 N ATOM 222 NH2 ARG A 16 12.557 -1.489 4.060 1.00 0.00 N ATOM 0 H ARG A 16 5.847 -3.612 0.892 1.00 0.00 H new ATOM 0 HA ARG A 16 4.939 -4.337 3.474 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.918 -3.916 4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.276 -5.204 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.663 -3.842 2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.948 -2.356 2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.928 -2.854 5.198 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.727 -4.253 4.509 1.00 0.00 H new ATOM 0 HE ARG A 16 10.356 -1.889 2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.035 -3.545 6.014 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.645 -2.835 6.175 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.425 -0.981 3.186 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.428 -1.390 4.581 1.00 0.00 H new ATOM 236 N ILE A 17 4.775 -1.872 4.000 1.00 0.00 N ATOM 237 CA ILE A 17 4.450 -0.457 4.126 1.00 0.00 C ATOM 238 C ILE A 17 5.690 0.363 4.467 1.00 0.00 C ATOM 239 O ILE A 17 6.128 0.397 5.618 1.00 0.00 O ATOM 240 CB ILE A 17 3.378 -0.219 5.207 1.00 0.00 C ATOM 241 CG1 ILE A 17 2.040 -0.816 4.768 1.00 0.00 C ATOM 242 CG2 ILE A 17 3.233 1.268 5.491 1.00 0.00 C ATOM 243 CD1 ILE A 17 1.060 -1.004 5.905 1.00 0.00 C ATOM 0 H ILE A 17 4.400 -2.459 4.745 1.00 0.00 H new ATOM 0 HA ILE A 17 4.058 -0.136 3.161 1.00 0.00 H new ATOM 0 HB ILE A 17 3.692 -0.715 6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.591 -0.167 4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.220 -1.780 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.472 1.420 6.257 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.185 1.666 5.842 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.938 1.786 4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.134 -1.431 5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.489 -1.677 6.648 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.850 -0.040 6.368 1.00 0.00 H new ATOM 255 N LEU A 18 6.249 1.025 3.461 1.00 0.00 N ATOM 256 CA LEU A 18 7.439 1.848 3.653 1.00 0.00 C ATOM 257 C LEU A 18 7.173 2.961 4.662 1.00 0.00 C ATOM 258 O LEU A 18 7.934 3.147 5.611 1.00 0.00 O ATOM 259 CB LEU A 18 7.889 2.449 2.320 1.00 0.00 C ATOM 260 CG LEU A 18 8.031 1.468 1.156 1.00 0.00 C ATOM 261 CD1 LEU A 18 8.767 2.120 -0.004 1.00 0.00 C ATOM 262 CD2 LEU A 18 8.754 0.207 1.607 1.00 0.00 C ATOM 0 H LEU A 18 5.898 1.009 2.503 1.00 0.00 H new ATOM 0 HA LEU A 18 8.233 1.211 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.175 3.221 2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.849 2.943 2.472 1.00 0.00 H new ATOM 0 HG LEU A 18 7.033 1.189 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.859 1.407 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.210 2.993 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.760 2.428 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.846 -0.480 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.747 0.468 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.187 -0.271 2.406 1.00 0.00 H new ATOM 274 N ASN A 19 6.087 3.697 4.451 1.00 0.00 N ATOM 275 CA ASN A 19 5.720 4.791 5.343 1.00 0.00 C ATOM 276 C ASN A 19 4.291 5.255 5.075 1.00 0.00 C ATOM 277 O ASN A 19 3.597 4.703 4.221 1.00 0.00 O ATOM 278 CB ASN A 19 6.689 5.963 5.172 1.00 0.00 C ATOM 279 CG ASN A 19 6.725 6.865 6.391 1.00 0.00 C ATOM 280 OD1 ASN A 19 5.893 7.760 6.540 1.00 0.00 O ATOM 281 ND2 ASN A 19 7.693 6.633 7.270 1.00 0.00 N ATOM 0 H ASN A 19 5.446 3.556 3.670 1.00 0.00 H new ATOM 0 HA ASN A 19 5.779 4.426 6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.690 5.578 4.978 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.398 6.547 4.299 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.768 7.208 8.109 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.361 5.880 7.106 1.00 0.00 H new ATOM 288 N HIS A 20 3.858 6.275 5.810 1.00 0.00 N ATOM 289 CA HIS A 20 2.512 6.814 5.652 1.00 0.00 C ATOM 290 C HIS A 20 2.534 8.340 5.662 1.00 0.00 C ATOM 291 O HIS A 20 3.363 8.954 6.333 1.00 0.00 O ATOM 292 CB HIS A 20 1.599 6.298 6.764 1.00 0.00 C ATOM 293 CG HIS A 20 1.748 7.042 8.055 1.00 0.00 C ATOM 294 ND1 HIS A 20 2.689 6.715 9.008 1.00 0.00 N ATOM 295 CD2 HIS A 20 1.069 8.105 8.548 1.00 0.00 C ATOM 296 CE1 HIS A 20 2.582 7.543 10.032 1.00 0.00 C ATOM 297 NE2 HIS A 20 1.606 8.396 9.777 1.00 0.00 N ATOM 0 H HIS A 20 4.420 6.744 6.520 1.00 0.00 H new ATOM 0 HA HIS A 20 2.124 6.480 4.690 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.563 6.366 6.433 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.810 5.243 6.936 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.256 8.627 8.064 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.189 7.525 10.925 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.301 9.149 10.394 1.00 0.00 H new ATOM 306 N SER A 21 1.618 8.945 4.913 1.00 0.00 N ATOM 307 CA SER A 21 1.535 10.399 4.832 1.00 0.00 C ATOM 308 C SER A 21 0.108 10.846 4.533 1.00 0.00 C ATOM 309 O SER A 21 -0.628 10.171 3.812 1.00 0.00 O ATOM 310 CB SER A 21 2.484 10.926 3.753 1.00 0.00 C ATOM 311 OG SER A 21 2.078 12.205 3.299 1.00 0.00 O ATOM 0 H SER A 21 0.923 8.451 4.353 1.00 0.00 H new ATOM 0 HA SER A 21 1.831 10.809 5.798 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.497 10.982 4.151 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.509 10.230 2.915 1.00 0.00 H new ATOM 0 HG SER A 21 2.701 12.521 2.612 1.00 0.00 H new ATOM 317 N VAL A 22 -0.277 11.989 5.091 1.00 0.00 N ATOM 318 CA VAL A 22 -1.616 12.528 4.884 1.00 0.00 C ATOM 319 C VAL A 22 -1.566 13.837 4.105 1.00 0.00 C ATOM 320 O VAL A 22 -0.910 14.794 4.518 1.00 0.00 O ATOM 321 CB VAL A 22 -2.338 12.768 6.224 1.00 0.00 C ATOM 322 CG1 VAL A 22 -3.704 13.393 5.990 1.00 0.00 C ATOM 323 CG2 VAL A 22 -2.464 11.466 7.001 1.00 0.00 C ATOM 0 H VAL A 22 0.319 12.560 5.690 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.171 11.787 4.309 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.744 13.463 6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.199 13.555 6.948 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.584 14.347 5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.309 12.725 5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.976 11.654 7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.035 10.746 6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.471 11.064 7.201 1.00 0.00 H new ATOM 333 N ASP A 23 -2.265 13.873 2.975 1.00 0.00 N ATOM 334 CA ASP A 23 -2.302 15.066 2.137 1.00 0.00 C ATOM 335 C ASP A 23 -3.379 16.034 2.618 1.00 0.00 C ATOM 336 O ASP A 23 -4.043 15.791 3.625 1.00 0.00 O ATOM 337 CB ASP A 23 -2.557 14.683 0.679 1.00 0.00 C ATOM 338 CG ASP A 23 -3.679 13.675 0.533 1.00 0.00 C ATOM 339 OD1 ASP A 23 -4.346 13.378 1.546 1.00 0.00 O ATOM 340 OD2 ASP A 23 -3.891 13.181 -0.595 1.00 0.00 O ATOM 0 H ASP A 23 -2.813 13.090 2.619 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.334 15.562 2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.801 15.579 0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.644 14.271 0.250 1.00 0.00 H new ATOM 345 N LYS A 24 -3.546 17.134 1.890 1.00 0.00 N ATOM 346 CA LYS A 24 -4.542 18.139 2.241 1.00 0.00 C ATOM 347 C LYS A 24 -5.929 17.514 2.359 1.00 0.00 C ATOM 348 O LYS A 24 -6.631 17.718 3.349 1.00 0.00 O ATOM 349 CB LYS A 24 -4.561 19.255 1.193 1.00 0.00 C ATOM 350 CG LYS A 24 -3.296 20.095 1.176 1.00 0.00 C ATOM 351 CD LYS A 24 -3.249 21.055 2.354 1.00 0.00 C ATOM 352 CE LYS A 24 -2.328 22.233 2.075 1.00 0.00 C ATOM 353 NZ LYS A 24 -0.915 21.930 2.435 1.00 0.00 N ATOM 0 H LYS A 24 -3.004 17.351 1.054 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.270 18.561 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.707 18.814 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.416 19.904 1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.424 19.442 1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.244 20.658 0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.254 21.420 2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.906 20.526 3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.385 22.496 1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.668 23.101 2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.319 22.758 2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.856 21.703 3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.582 21.117 1.878 1.00 0.00 H new ATOM 367 N LYS A 25 -6.316 16.750 1.343 1.00 0.00 N ATOM 368 CA LYS A 25 -7.617 16.092 1.333 1.00 0.00 C ATOM 369 C LYS A 25 -7.919 15.463 2.689 1.00 0.00 C ATOM 370 O LYS A 25 -9.079 15.321 3.074 1.00 0.00 O ATOM 371 CB LYS A 25 -7.662 15.021 0.241 1.00 0.00 C ATOM 372 CG LYS A 25 -7.812 15.588 -1.161 1.00 0.00 C ATOM 373 CD LYS A 25 -8.538 14.618 -2.079 1.00 0.00 C ATOM 374 CE LYS A 25 -8.689 15.187 -3.482 1.00 0.00 C ATOM 375 NZ LYS A 25 -9.212 14.172 -4.438 1.00 0.00 N ATOM 0 H LYS A 25 -5.747 16.571 0.516 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.376 16.846 1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.749 14.427 0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.493 14.344 0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.360 16.529 -1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.827 15.812 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.989 13.677 -2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.522 14.394 -1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.363 16.043 -3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.723 15.552 -3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.301 14.598 -5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.556 13.366 -4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.145 13.842 -4.118 1.00 0.00 H new ATOM 389 N GLY A 26 -6.867 15.088 3.410 1.00 0.00 N ATOM 390 CA GLY A 26 -7.041 14.480 4.716 1.00 0.00 C ATOM 391 C GLY A 26 -7.107 12.967 4.647 1.00 0.00 C ATOM 392 O GLY A 26 -7.387 12.304 5.646 1.00 0.00 O ATOM 0 H GLY A 26 -5.897 15.194 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.216 14.775 5.364 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.955 14.860 5.171 1.00 0.00 H new ATOM 396 N HIS A 27 -6.852 12.418 3.463 1.00 0.00 N ATOM 397 CA HIS A 27 -6.885 10.973 3.267 1.00 0.00 C ATOM 398 C HIS A 27 -5.514 10.358 3.531 1.00 0.00 C ATOM 399 O HIS A 27 -4.548 10.640 2.823 1.00 0.00 O ATOM 400 CB HIS A 27 -7.341 10.641 1.846 1.00 0.00 C ATOM 401 CG HIS A 27 -8.822 10.754 1.650 1.00 0.00 C ATOM 402 ND1 HIS A 27 -9.604 9.711 1.200 1.00 0.00 N ATOM 403 CD2 HIS A 27 -9.664 11.796 1.848 1.00 0.00 C ATOM 404 CE1 HIS A 27 -10.862 10.107 1.128 1.00 0.00 C ATOM 405 NE2 HIS A 27 -10.926 11.368 1.516 1.00 0.00 N ATOM 0 H HIS A 27 -6.620 12.952 2.625 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.596 10.550 3.977 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.838 11.309 1.147 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.027 9.627 1.600 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.393 12.780 2.201 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.697 9.502 0.806 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.775 11.932 1.562 1.00 0.00 H new ATOM 414 N VAL A 28 -5.437 9.515 4.557 1.00 0.00 N ATOM 415 CA VAL A 28 -4.185 8.859 4.914 1.00 0.00 C ATOM 416 C VAL A 28 -3.651 8.026 3.755 1.00 0.00 C ATOM 417 O VAL A 28 -4.387 7.254 3.140 1.00 0.00 O ATOM 418 CB VAL A 28 -4.359 7.952 6.147 1.00 0.00 C ATOM 419 CG1 VAL A 28 -3.086 7.163 6.414 1.00 0.00 C ATOM 420 CG2 VAL A 28 -4.750 8.777 7.364 1.00 0.00 C ATOM 0 H VAL A 28 -6.227 9.271 5.155 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.470 9.647 5.150 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.161 7.243 5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.228 6.528 7.289 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.855 6.542 5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.262 7.853 6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.869 8.120 8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.971 9.511 7.572 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.691 9.292 7.168 1.00 0.00 H new ATOM 430 N HIS A 29 -2.364 8.186 3.462 1.00 0.00 N ATOM 431 CA HIS A 29 -1.729 7.447 2.377 1.00 0.00 C ATOM 432 C HIS A 29 -0.637 6.526 2.912 1.00 0.00 C ATOM 433 O HIS A 29 -0.050 6.788 3.962 1.00 0.00 O ATOM 434 CB HIS A 29 -1.139 8.414 1.350 1.00 0.00 C ATOM 435 CG HIS A 29 -2.174 9.188 0.592 1.00 0.00 C ATOM 436 ND1 HIS A 29 -3.525 9.092 0.851 1.00 0.00 N ATOM 437 CD2 HIS A 29 -2.049 10.075 -0.422 1.00 0.00 C ATOM 438 CE1 HIS A 29 -4.186 9.886 0.029 1.00 0.00 C ATOM 439 NE2 HIS A 29 -3.314 10.495 -0.754 1.00 0.00 N ATOM 0 H HIS A 29 -1.741 8.821 3.961 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.490 6.835 1.893 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.476 9.113 1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.528 7.852 0.644 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.126 10.394 -0.884 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.258 10.016 0.002 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.543 11.168 -1.486 1.00 0.00 H new ATOM 448 N TYR A 30 -0.370 5.448 2.184 1.00 0.00 N ATOM 449 CA TYR A 30 0.649 4.486 2.588 1.00 0.00 C ATOM 450 C TYR A 30 1.593 4.175 1.430 1.00 0.00 C ATOM 451 O TYR A 30 1.171 3.673 0.387 1.00 0.00 O ATOM 452 CB TYR A 30 -0.005 3.197 3.088 1.00 0.00 C ATOM 453 CG TYR A 30 -0.864 3.392 4.317 1.00 0.00 C ATOM 454 CD1 TYR A 30 -0.296 3.459 5.583 1.00 0.00 C ATOM 455 CD2 TYR A 30 -2.245 3.508 4.212 1.00 0.00 C ATOM 456 CE1 TYR A 30 -1.077 3.637 6.708 1.00 0.00 C ATOM 457 CE2 TYR A 30 -3.034 3.687 5.332 1.00 0.00 C ATOM 458 CZ TYR A 30 -2.445 3.751 6.578 1.00 0.00 C ATOM 459 OH TYR A 30 -3.228 3.927 7.696 1.00 0.00 O ATOM 0 H TYR A 30 -0.845 5.218 1.311 1.00 0.00 H new ATOM 0 HA TYR A 30 1.229 4.928 3.398 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.617 2.777 2.290 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.773 2.467 3.311 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.775 3.370 5.689 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.709 3.457 3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.619 3.687 7.685 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.106 3.776 5.233 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.655 4.007 8.487 1.00 0.00 H new ATOM 469 N LEU A 31 2.873 4.475 1.621 1.00 0.00 N ATOM 470 CA LEU A 31 3.879 4.227 0.594 1.00 0.00 C ATOM 471 C LEU A 31 4.008 2.734 0.308 1.00 0.00 C ATOM 472 O LEU A 31 4.851 2.051 0.890 1.00 0.00 O ATOM 473 CB LEU A 31 5.231 4.793 1.030 1.00 0.00 C ATOM 474 CG LEU A 31 6.384 4.613 0.042 1.00 0.00 C ATOM 475 CD1 LEU A 31 5.921 4.907 -1.377 1.00 0.00 C ATOM 476 CD2 LEU A 31 7.555 5.509 0.419 1.00 0.00 C ATOM 0 H LEU A 31 3.239 4.890 2.478 1.00 0.00 H new ATOM 0 HA LEU A 31 3.561 4.727 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.110 5.858 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.511 4.325 1.974 1.00 0.00 H new ATOM 0 HG LEU A 31 6.717 3.576 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.755 4.774 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.115 4.224 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.561 5.934 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.366 5.367 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.236 6.551 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.903 5.251 1.419 1.00 0.00 H new ATOM 488 N ILE A 32 3.169 2.235 -0.593 1.00 0.00 N ATOM 489 CA ILE A 32 3.192 0.824 -0.959 1.00 0.00 C ATOM 490 C ILE A 32 4.367 0.514 -1.879 1.00 0.00 C ATOM 491 O ILE A 32 4.581 1.194 -2.883 1.00 0.00 O ATOM 492 CB ILE A 32 1.884 0.401 -1.655 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.687 0.653 -0.735 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.950 -1.064 -2.060 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.644 0.318 -1.371 1.00 0.00 C ATOM 0 H ILE A 32 2.465 2.787 -1.083 1.00 0.00 H new ATOM 0 HA ILE A 32 3.300 0.260 -0.033 1.00 0.00 H new ATOM 0 HB ILE A 32 1.758 1.001 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.806 0.062 0.173 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.684 1.701 -0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.019 -1.348 -2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.783 -1.214 -2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.096 -1.680 -1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.447 0.521 -0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.785 0.928 -2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.661 -0.737 -1.646 1.00 0.00 H new ATOM 507 N LYS A 33 5.127 -0.519 -1.531 1.00 0.00 N ATOM 508 CA LYS A 33 6.281 -0.923 -2.327 1.00 0.00 C ATOM 509 C LYS A 33 5.988 -2.208 -3.096 1.00 0.00 C ATOM 510 O LYS A 33 6.136 -3.308 -2.565 1.00 0.00 O ATOM 511 CB LYS A 33 7.502 -1.123 -1.427 1.00 0.00 C ATOM 512 CG LYS A 33 8.711 -1.681 -2.157 1.00 0.00 C ATOM 513 CD LYS A 33 9.753 -2.212 -1.187 1.00 0.00 C ATOM 514 CE LYS A 33 10.913 -2.869 -1.919 1.00 0.00 C ATOM 515 NZ LYS A 33 10.556 -4.225 -2.420 1.00 0.00 N ATOM 0 H LYS A 33 4.965 -1.092 -0.703 1.00 0.00 H new ATOM 0 HA LYS A 33 6.492 -0.130 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.770 -0.168 -0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.236 -1.798 -0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.395 -2.481 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.154 -0.902 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.127 -1.395 -0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.291 -2.934 -0.514 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.217 -2.241 -2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.770 -2.943 -1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.355 -4.618 -2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.340 -4.847 -1.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.723 -4.158 -3.039 1.00 0.00 H new ATOM 529 N TRP A 34 5.573 -2.059 -4.349 1.00 0.00 N ATOM 530 CA TRP A 34 5.261 -3.209 -5.191 1.00 0.00 C ATOM 531 C TRP A 34 6.403 -4.218 -5.179 1.00 0.00 C ATOM 532 O TRP A 34 7.450 -3.991 -5.785 1.00 0.00 O ATOM 533 CB TRP A 34 4.980 -2.755 -6.625 1.00 0.00 C ATOM 534 CG TRP A 34 3.943 -1.675 -6.714 1.00 0.00 C ATOM 535 CD1 TRP A 34 4.122 -0.405 -7.182 1.00 0.00 C ATOM 536 CD2 TRP A 34 2.570 -1.772 -6.322 1.00 0.00 C ATOM 537 NE1 TRP A 34 2.941 0.294 -7.105 1.00 0.00 N ATOM 538 CE2 TRP A 34 1.974 -0.522 -6.582 1.00 0.00 C ATOM 539 CE3 TRP A 34 1.785 -2.792 -5.779 1.00 0.00 C ATOM 540 CZ2 TRP A 34 0.631 -0.268 -6.315 1.00 0.00 C ATOM 541 CZ3 TRP A 34 0.452 -2.539 -5.515 1.00 0.00 C ATOM 542 CH2 TRP A 34 -0.114 -1.286 -5.784 1.00 0.00 C ATOM 0 H TRP A 34 5.445 -1.155 -4.804 1.00 0.00 H new ATOM 0 HA TRP A 34 4.370 -3.692 -4.789 1.00 0.00 H new ATOM 0 HB2 TRP A 34 5.907 -2.397 -7.073 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.652 -3.613 -7.212 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.054 -0.008 -7.557 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.807 1.264 -7.391 1.00 0.00 H new ATOM 0 HE3 TRP A 34 2.212 -3.761 -5.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 0.193 0.698 -6.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.164 -3.320 -5.094 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -1.159 -1.120 -5.568 1.00 0.00 H new ATOM 553 N ARG A 35 6.194 -5.333 -4.487 1.00 0.00 N ATOM 554 CA ARG A 35 7.208 -6.377 -4.396 1.00 0.00 C ATOM 555 C ARG A 35 7.998 -6.482 -5.697 1.00 0.00 C ATOM 556 O ARG A 35 9.175 -6.126 -5.751 1.00 0.00 O ATOM 557 CB ARG A 35 6.557 -7.723 -4.072 1.00 0.00 C ATOM 558 CG ARG A 35 6.091 -7.843 -2.630 1.00 0.00 C ATOM 559 CD ARG A 35 5.565 -9.238 -2.329 1.00 0.00 C ATOM 560 NE ARG A 35 6.621 -10.133 -1.863 1.00 0.00 N ATOM 561 CZ ARG A 35 6.508 -11.456 -1.844 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.391 -12.035 -2.262 1.00 0.00 N ATOM 563 NH2 ARG A 35 7.513 -12.203 -1.405 1.00 0.00 N ATOM 0 H ARG A 35 5.332 -5.537 -3.981 1.00 0.00 H new ATOM 0 HA ARG A 35 7.896 -6.111 -3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.704 -7.873 -4.734 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.269 -8.521 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.918 -7.612 -1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.309 -7.109 -2.437 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.783 -9.175 -1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.107 -9.654 -3.226 1.00 0.00 H new ATOM 0 HE ARG A 35 7.493 -9.719 -1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.616 -11.464 -2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.307 -13.051 -2.246 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.374 -11.761 -1.082 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.425 -13.219 -1.391 1.00 0.00 H new ATOM 577 N ASP A 36 7.343 -6.974 -6.743 1.00 0.00 N ATOM 578 CA ASP A 36 7.983 -7.125 -8.044 1.00 0.00 C ATOM 579 C ASP A 36 8.948 -5.974 -8.313 1.00 0.00 C ATOM 580 O ASP A 36 10.140 -6.188 -8.538 1.00 0.00 O ATOM 581 CB ASP A 36 6.930 -7.193 -9.151 1.00 0.00 C ATOM 582 CG ASP A 36 5.868 -6.120 -9.006 1.00 0.00 C ATOM 583 OD1 ASP A 36 5.276 -6.017 -7.912 1.00 0.00 O ATOM 584 OD2 ASP A 36 5.630 -5.385 -9.987 1.00 0.00 O ATOM 0 H ASP A 36 6.369 -7.275 -6.715 1.00 0.00 H new ATOM 0 HA ASP A 36 8.550 -8.056 -8.035 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.418 -7.088 -10.120 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.455 -8.174 -9.137 1.00 0.00 H new ATOM 589 N LEU A 37 8.424 -4.753 -8.289 1.00 0.00 N ATOM 590 CA LEU A 37 9.239 -3.567 -8.531 1.00 0.00 C ATOM 591 C LEU A 37 10.191 -3.314 -7.366 1.00 0.00 C ATOM 592 O LEU A 37 9.928 -3.691 -6.224 1.00 0.00 O ATOM 593 CB LEU A 37 8.344 -2.346 -8.748 1.00 0.00 C ATOM 594 CG LEU A 37 7.393 -2.414 -9.943 1.00 0.00 C ATOM 595 CD1 LEU A 37 6.382 -1.280 -9.887 1.00 0.00 C ATOM 596 CD2 LEU A 37 8.174 -2.370 -11.249 1.00 0.00 C ATOM 0 H LEU A 37 7.440 -4.558 -8.105 1.00 0.00 H new ATOM 0 HA LEU A 37 9.832 -3.740 -9.429 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.752 -2.190 -7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.981 -1.470 -8.866 1.00 0.00 H new ATOM 0 HG LEU A 37 6.851 -3.359 -9.898 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.714 -1.345 -10.746 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.800 -1.356 -8.968 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.906 -0.324 -9.907 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.481 -2.419 -12.089 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.743 -1.442 -11.302 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.858 -3.217 -11.293 1.00 0.00 H new ATOM 608 N PRO A 38 11.323 -2.657 -7.660 1.00 0.00 N ATOM 609 CA PRO A 38 12.336 -2.336 -6.650 1.00 0.00 C ATOM 610 C PRO A 38 11.858 -1.272 -5.668 1.00 0.00 C ATOM 611 O PRO A 38 10.674 -0.939 -5.626 1.00 0.00 O ATOM 612 CB PRO A 38 13.509 -1.809 -7.480 1.00 0.00 C ATOM 613 CG PRO A 38 12.887 -1.292 -8.731 1.00 0.00 C ATOM 614 CD PRO A 38 11.701 -2.178 -9.000 1.00 0.00 C ATOM 0 HA PRO A 38 12.586 -3.200 -6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.046 -1.022 -6.951 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.229 -2.599 -7.693 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.579 -0.253 -8.613 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.594 -1.323 -9.560 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.888 -1.628 -9.474 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.958 -3.003 -9.664 1.00 0.00 H new ATOM 622 N TYR A 39 12.787 -0.742 -4.879 1.00 0.00 N ATOM 623 CA TYR A 39 12.459 0.283 -3.895 1.00 0.00 C ATOM 624 C TYR A 39 12.447 1.668 -4.535 1.00 0.00 C ATOM 625 O TYR A 39 11.756 2.573 -4.067 1.00 0.00 O ATOM 626 CB TYR A 39 13.463 0.251 -2.741 1.00 0.00 C ATOM 627 CG TYR A 39 13.124 1.204 -1.618 1.00 0.00 C ATOM 628 CD1 TYR A 39 12.191 0.861 -0.647 1.00 0.00 C ATOM 629 CD2 TYR A 39 13.737 2.448 -1.526 1.00 0.00 C ATOM 630 CE1 TYR A 39 11.878 1.729 0.381 1.00 0.00 C ATOM 631 CE2 TYR A 39 13.431 3.321 -0.501 1.00 0.00 C ATOM 632 CZ TYR A 39 12.500 2.957 0.450 1.00 0.00 C ATOM 633 OH TYR A 39 12.192 3.825 1.472 1.00 0.00 O ATOM 0 H TYR A 39 13.772 -1.005 -4.902 1.00 0.00 H new ATOM 0 HA TYR A 39 11.462 0.073 -3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.515 -0.763 -2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.454 0.493 -3.125 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.702 -0.101 -0.697 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.465 2.737 -2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.150 1.447 1.127 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.918 4.283 -0.444 1.00 0.00 H new ATOM 0 HH TYR A 39 12.719 4.645 1.375 1.00 0.00 H new ATOM 643 N ASP A 40 13.215 1.823 -5.608 1.00 0.00 N ATOM 644 CA ASP A 40 13.292 3.097 -6.314 1.00 0.00 C ATOM 645 C ASP A 40 12.136 3.242 -7.300 1.00 0.00 C ATOM 646 O ASP A 40 11.997 4.272 -7.958 1.00 0.00 O ATOM 647 CB ASP A 40 14.626 3.214 -7.053 1.00 0.00 C ATOM 648 CG ASP A 40 14.929 4.638 -7.478 1.00 0.00 C ATOM 649 OD1 ASP A 40 14.482 5.037 -8.574 1.00 0.00 O ATOM 650 OD2 ASP A 40 15.613 5.352 -6.716 1.00 0.00 O ATOM 0 H ASP A 40 13.792 1.083 -6.008 1.00 0.00 H new ATOM 0 HA ASP A 40 13.221 3.898 -5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.428 2.851 -6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 40 14.608 2.571 -7.933 1.00 0.00 H new ATOM 655 N GLN A 41 11.312 2.204 -7.395 1.00 0.00 N ATOM 656 CA GLN A 41 10.170 2.216 -8.301 1.00 0.00 C ATOM 657 C GLN A 41 8.859 2.262 -7.524 1.00 0.00 C ATOM 658 O GLN A 41 7.783 2.388 -8.109 1.00 0.00 O ATOM 659 CB GLN A 41 10.197 0.983 -9.206 1.00 0.00 C ATOM 660 CG GLN A 41 11.320 1.005 -10.231 1.00 0.00 C ATOM 661 CD GLN A 41 10.921 1.699 -11.519 1.00 0.00 C ATOM 662 OE1 GLN A 41 10.193 2.692 -11.502 1.00 0.00 O ATOM 663 NE2 GLN A 41 11.397 1.179 -12.644 1.00 0.00 N ATOM 0 H GLN A 41 11.414 1.344 -6.856 1.00 0.00 H new ATOM 0 HA GLN A 41 10.237 3.112 -8.918 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.298 0.091 -8.588 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.243 0.904 -9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.187 1.510 -9.804 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.624 -0.018 -10.453 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.997 0.355 -12.611 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.163 1.604 -13.541 1.00 0.00 H new ATOM 672 N ALA A 42 8.956 2.159 -6.203 1.00 0.00 N ATOM 673 CA ALA A 42 7.778 2.190 -5.345 1.00 0.00 C ATOM 674 C ALA A 42 6.890 3.385 -5.676 1.00 0.00 C ATOM 675 O ALA A 42 7.340 4.355 -6.286 1.00 0.00 O ATOM 676 CB ALA A 42 8.191 2.227 -3.881 1.00 0.00 C ATOM 0 H ALA A 42 9.839 2.053 -5.703 1.00 0.00 H new ATOM 0 HA ALA A 42 7.204 1.281 -5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.301 2.250 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.778 1.339 -3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.790 3.118 -3.694 1.00 0.00 H new ATOM 682 N SER A 43 5.626 3.309 -5.270 1.00 0.00 N ATOM 683 CA SER A 43 4.674 4.383 -5.528 1.00 0.00 C ATOM 684 C SER A 43 3.709 4.545 -4.358 1.00 0.00 C ATOM 685 O SER A 43 3.295 3.564 -3.740 1.00 0.00 O ATOM 686 CB SER A 43 3.893 4.102 -6.813 1.00 0.00 C ATOM 687 OG SER A 43 3.473 5.308 -7.428 1.00 0.00 O ATOM 0 H SER A 43 5.238 2.515 -4.761 1.00 0.00 H new ATOM 0 HA SER A 43 5.233 5.311 -5.647 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.516 3.535 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.024 3.484 -6.587 1.00 0.00 H new ATOM 0 HG SER A 43 2.978 5.102 -8.248 1.00 0.00 H new ATOM 693 N TRP A 44 3.356 5.790 -4.059 1.00 0.00 N ATOM 694 CA TRP A 44 2.439 6.082 -2.963 1.00 0.00 C ATOM 695 C TRP A 44 1.015 5.674 -3.321 1.00 0.00 C ATOM 696 O TRP A 44 0.606 5.767 -4.478 1.00 0.00 O ATOM 697 CB TRP A 44 2.485 7.571 -2.616 1.00 0.00 C ATOM 698 CG TRP A 44 3.562 7.920 -1.635 1.00 0.00 C ATOM 699 CD1 TRP A 44 4.801 8.420 -1.920 1.00 0.00 C ATOM 700 CD2 TRP A 44 3.498 7.792 -0.210 1.00 0.00 C ATOM 701 NE1 TRP A 44 5.510 8.612 -0.758 1.00 0.00 N ATOM 702 CE2 TRP A 44 4.732 8.235 0.305 1.00 0.00 C ATOM 703 CE3 TRP A 44 2.516 7.350 0.681 1.00 0.00 C ATOM 704 CZ2 TRP A 44 5.009 8.245 1.669 1.00 0.00 C ATOM 705 CZ3 TRP A 44 2.793 7.360 2.035 1.00 0.00 C ATOM 706 CH2 TRP A 44 4.030 7.806 2.519 1.00 0.00 C ATOM 0 H TRP A 44 3.691 6.613 -4.560 1.00 0.00 H new ATOM 0 HA TRP A 44 2.754 5.504 -2.094 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.636 8.145 -3.530 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.520 7.871 -2.207 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.169 8.633 -2.913 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.461 8.976 -0.697 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.558 7.007 0.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.963 8.587 2.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.043 7.018 2.732 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.215 7.803 3.583 1.00 0.00 H new ATOM 717 N GLU A 45 0.264 5.224 -2.321 1.00 0.00 N ATOM 718 CA GLU A 45 -1.116 4.801 -2.533 1.00 0.00 C ATOM 719 C GLU A 45 -1.987 5.165 -1.334 1.00 0.00 C ATOM 720 O GLU A 45 -1.661 4.835 -0.194 1.00 0.00 O ATOM 721 CB GLU A 45 -1.178 3.293 -2.783 1.00 0.00 C ATOM 722 CG GLU A 45 -0.354 2.839 -3.977 1.00 0.00 C ATOM 723 CD GLU A 45 -0.913 3.340 -5.295 1.00 0.00 C ATOM 724 OE1 GLU A 45 -1.887 4.120 -5.269 1.00 0.00 O ATOM 725 OE2 GLU A 45 -0.374 2.950 -6.352 1.00 0.00 O ATOM 0 H GLU A 45 0.587 5.143 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.498 5.323 -3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.829 2.771 -1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.217 3.001 -2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.670 3.193 -3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.315 1.750 -3.994 1.00 0.00 H new ATOM 732 N SER A 46 -3.095 5.848 -1.601 1.00 0.00 N ATOM 733 CA SER A 46 -4.011 6.262 -0.544 1.00 0.00 C ATOM 734 C SER A 46 -4.535 5.052 0.224 1.00 0.00 C ATOM 735 O SER A 46 -4.368 3.911 -0.205 1.00 0.00 O ATOM 736 CB SER A 46 -5.181 7.051 -1.135 1.00 0.00 C ATOM 737 OG SER A 46 -6.074 7.475 -0.119 1.00 0.00 O ATOM 0 H SER A 46 -3.381 6.127 -2.540 1.00 0.00 H new ATOM 0 HA SER A 46 -3.464 6.901 0.149 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.803 7.918 -1.676 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.714 6.432 -1.857 1.00 0.00 H new ATOM 0 HG SER A 46 -6.812 7.978 -0.522 1.00 0.00 H new ATOM 743 N GLU A 47 -5.170 5.312 1.363 1.00 0.00 N ATOM 744 CA GLU A 47 -5.718 4.245 2.192 1.00 0.00 C ATOM 745 C GLU A 47 -7.049 3.750 1.632 1.00 0.00 C ATOM 746 O GLU A 47 -7.739 2.947 2.261 1.00 0.00 O ATOM 747 CB GLU A 47 -5.908 4.733 3.630 1.00 0.00 C ATOM 748 CG GLU A 47 -6.937 5.843 3.766 1.00 0.00 C ATOM 749 CD GLU A 47 -7.350 6.081 5.205 1.00 0.00 C ATOM 750 OE1 GLU A 47 -7.357 5.109 5.989 1.00 0.00 O ATOM 751 OE2 GLU A 47 -7.667 7.240 5.548 1.00 0.00 O ATOM 0 H GLU A 47 -5.317 6.251 1.732 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.010 3.416 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.210 3.891 4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.951 5.087 4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.529 6.765 3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.818 5.591 3.176 1.00 0.00 H new ATOM 758 N ASP A 48 -7.402 4.235 0.447 1.00 0.00 N ATOM 759 CA ASP A 48 -8.649 3.842 -0.199 1.00 0.00 C ATOM 760 C ASP A 48 -8.408 2.728 -1.213 1.00 0.00 C ATOM 761 O ASP A 48 -9.290 1.909 -1.472 1.00 0.00 O ATOM 762 CB ASP A 48 -9.293 5.046 -0.889 1.00 0.00 C ATOM 763 CG ASP A 48 -10.715 4.766 -1.334 1.00 0.00 C ATOM 764 OD1 ASP A 48 -10.979 3.639 -1.802 1.00 0.00 O ATOM 765 OD2 ASP A 48 -11.563 5.675 -1.215 1.00 0.00 O ATOM 0 H ASP A 48 -6.842 4.901 -0.086 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.326 3.469 0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.290 5.896 -0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.694 5.329 -1.754 1.00 0.00 H new ATOM 770 N VAL A 49 -7.208 2.705 -1.785 1.00 0.00 N ATOM 771 CA VAL A 49 -6.851 1.692 -2.771 1.00 0.00 C ATOM 772 C VAL A 49 -7.177 0.292 -2.263 1.00 0.00 C ATOM 773 O VAL A 49 -6.900 -0.041 -1.112 1.00 0.00 O ATOM 774 CB VAL A 49 -5.355 1.761 -3.130 1.00 0.00 C ATOM 775 CG1 VAL A 49 -5.058 3.009 -3.946 1.00 0.00 C ATOM 776 CG2 VAL A 49 -4.503 1.722 -1.870 1.00 0.00 C ATOM 0 H VAL A 49 -6.467 3.376 -1.582 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.441 1.898 -3.664 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.105 0.892 -3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.996 3.040 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.641 2.989 -4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.323 3.894 -3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.449 1.772 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.754 2.571 -1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.695 0.795 -1.330 1.00 0.00 H new ATOM 786 N GLU A 50 -7.767 -0.524 -3.131 1.00 0.00 N ATOM 787 CA GLU A 50 -8.131 -1.889 -2.770 1.00 0.00 C ATOM 788 C GLU A 50 -7.075 -2.880 -3.252 1.00 0.00 C ATOM 789 O GLU A 50 -6.963 -3.151 -4.448 1.00 0.00 O ATOM 790 CB GLU A 50 -9.494 -2.251 -3.363 1.00 0.00 C ATOM 791 CG GLU A 50 -9.525 -2.220 -4.882 1.00 0.00 C ATOM 792 CD GLU A 50 -10.936 -2.197 -5.437 1.00 0.00 C ATOM 793 OE1 GLU A 50 -11.783 -2.967 -4.938 1.00 0.00 O ATOM 794 OE2 GLU A 50 -11.193 -1.408 -6.370 1.00 0.00 O ATOM 0 H GLU A 50 -8.003 -0.264 -4.089 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.189 -1.946 -1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.776 -3.247 -3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.243 -1.559 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.986 -1.341 -5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.000 -3.093 -5.270 1.00 0.00 H new ATOM 801 N ILE A 51 -6.302 -3.415 -2.313 1.00 0.00 N ATOM 802 CA ILE A 51 -5.256 -4.376 -2.641 1.00 0.00 C ATOM 803 C ILE A 51 -5.362 -5.623 -1.770 1.00 0.00 C ATOM 804 O ILE A 51 -5.842 -5.562 -0.638 1.00 0.00 O ATOM 805 CB ILE A 51 -3.854 -3.761 -2.470 1.00 0.00 C ATOM 806 CG1 ILE A 51 -3.764 -2.427 -3.214 1.00 0.00 C ATOM 807 CG2 ILE A 51 -2.789 -4.725 -2.969 1.00 0.00 C ATOM 808 CD1 ILE A 51 -2.685 -1.510 -2.681 1.00 0.00 C ATOM 0 H ILE A 51 -6.380 -3.199 -1.319 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.398 -4.653 -3.686 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.681 -3.576 -1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.576 -2.621 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.726 -1.919 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.804 -4.276 -2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.842 -5.652 -2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.957 -4.938 -4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.678 -0.584 -3.255 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.883 -1.286 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.715 -1.999 -2.770 1.00 0.00 H new ATOM 820 N GLN A 52 -4.909 -6.752 -2.306 1.00 0.00 N ATOM 821 CA GLN A 52 -4.952 -8.014 -1.576 1.00 0.00 C ATOM 822 C GLN A 52 -4.409 -7.844 -0.161 1.00 0.00 C ATOM 823 O GLN A 52 -3.268 -7.422 0.029 1.00 0.00 O ATOM 824 CB GLN A 52 -4.149 -9.083 -2.318 1.00 0.00 C ATOM 825 CG GLN A 52 -4.686 -10.492 -2.123 1.00 0.00 C ATOM 826 CD GLN A 52 -3.634 -11.557 -2.364 1.00 0.00 C ATOM 827 OE1 GLN A 52 -3.562 -12.142 -3.444 1.00 0.00 O ATOM 828 NE2 GLN A 52 -2.809 -11.813 -1.355 1.00 0.00 N ATOM 0 H GLN A 52 -4.509 -6.819 -3.242 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.993 -8.331 -1.510 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.145 -8.849 -3.383 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.113 -9.048 -1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.073 -10.592 -1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.524 -10.654 -2.801 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.905 -11.304 -0.476 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.080 -12.519 -1.459 1.00 0.00 H new ATOM 837 N ASP A 53 -5.233 -8.174 0.827 1.00 0.00 N ATOM 838 CA ASP A 53 -4.835 -8.058 2.225 1.00 0.00 C ATOM 839 C ASP A 53 -4.232 -6.685 2.506 1.00 0.00 C ATOM 840 O ASP A 53 -3.276 -6.562 3.273 1.00 0.00 O ATOM 841 CB ASP A 53 -3.830 -9.154 2.584 1.00 0.00 C ATOM 842 CG ASP A 53 -4.446 -10.539 2.546 1.00 0.00 C ATOM 843 OD1 ASP A 53 -5.680 -10.644 2.707 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.694 -11.517 2.355 1.00 0.00 O ATOM 0 H ASP A 53 -6.181 -8.524 0.686 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.726 -8.177 2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.990 -9.114 1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.430 -8.964 3.580 1.00 0.00 H new ATOM 849 N TYR A 54 -4.795 -5.658 1.881 1.00 0.00 N ATOM 850 CA TYR A 54 -4.310 -4.295 2.061 1.00 0.00 C ATOM 851 C TYR A 54 -4.488 -3.840 3.506 1.00 0.00 C ATOM 852 O TYR A 54 -3.607 -3.200 4.081 1.00 0.00 O ATOM 853 CB TYR A 54 -5.047 -3.340 1.120 1.00 0.00 C ATOM 854 CG TYR A 54 -4.520 -1.924 1.159 1.00 0.00 C ATOM 855 CD1 TYR A 54 -3.169 -1.669 1.358 1.00 0.00 C ATOM 856 CD2 TYR A 54 -5.374 -0.839 0.997 1.00 0.00 C ATOM 857 CE1 TYR A 54 -2.684 -0.377 1.395 1.00 0.00 C ATOM 858 CE2 TYR A 54 -4.897 0.457 1.032 1.00 0.00 C ATOM 859 CZ TYR A 54 -3.551 0.683 1.232 1.00 0.00 C ATOM 860 OH TYR A 54 -3.071 1.972 1.267 1.00 0.00 O ATOM 0 H TYR A 54 -5.588 -5.743 1.245 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.247 -4.281 1.823 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.972 -3.718 0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.105 -3.332 1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.486 -2.496 1.486 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.429 -1.012 0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.631 -0.197 1.551 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.574 1.289 0.904 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.629 2.544 0.699 1.00 0.00 H new ATOM 870 N ASP A 55 -5.635 -4.175 4.088 1.00 0.00 N ATOM 871 CA ASP A 55 -5.930 -3.804 5.467 1.00 0.00 C ATOM 872 C ASP A 55 -4.931 -4.441 6.427 1.00 0.00 C ATOM 873 O ASP A 55 -4.469 -3.803 7.374 1.00 0.00 O ATOM 874 CB ASP A 55 -7.353 -4.225 5.838 1.00 0.00 C ATOM 875 CG ASP A 55 -7.976 -3.310 6.873 1.00 0.00 C ATOM 876 OD1 ASP A 55 -7.812 -2.077 6.752 1.00 0.00 O ATOM 877 OD2 ASP A 55 -8.629 -3.825 7.804 1.00 0.00 O ATOM 0 H ASP A 55 -6.375 -4.703 3.626 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.847 -2.720 5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.973 -4.230 4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.339 -5.245 6.221 1.00 0.00 H new ATOM 882 N LEU A 56 -4.601 -5.704 6.178 1.00 0.00 N ATOM 883 CA LEU A 56 -3.657 -6.429 7.021 1.00 0.00 C ATOM 884 C LEU A 56 -2.376 -5.626 7.219 1.00 0.00 C ATOM 885 O LEU A 56 -2.009 -5.290 8.345 1.00 0.00 O ATOM 886 CB LEU A 56 -3.330 -7.789 6.401 1.00 0.00 C ATOM 887 CG LEU A 56 -4.477 -8.798 6.353 1.00 0.00 C ATOM 888 CD1 LEU A 56 -3.944 -10.201 6.109 1.00 0.00 C ATOM 889 CD2 LEU A 56 -5.284 -8.749 7.643 1.00 0.00 C ATOM 0 H LEU A 56 -4.973 -6.247 5.399 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.121 -6.583 7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.973 -7.626 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.506 -8.232 6.960 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.135 -8.533 5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.775 -10.906 6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.410 -10.227 5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.264 -10.477 6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.097 -9.474 7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.637 -8.989 8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.697 -7.749 7.776 1.00 0.00 H new ATOM 901 N PHE A 57 -1.700 -5.319 6.117 1.00 0.00 N ATOM 902 CA PHE A 57 -0.459 -4.554 6.169 1.00 0.00 C ATOM 903 C PHE A 57 -0.651 -3.260 6.955 1.00 0.00 C ATOM 904 O PHE A 57 0.109 -2.961 7.876 1.00 0.00 O ATOM 905 CB PHE A 57 0.029 -4.236 4.754 1.00 0.00 C ATOM 906 CG PHE A 57 0.798 -5.360 4.119 1.00 0.00 C ATOM 907 CD1 PHE A 57 0.159 -6.532 3.749 1.00 0.00 C ATOM 908 CD2 PHE A 57 2.160 -5.243 3.893 1.00 0.00 C ATOM 909 CE1 PHE A 57 0.864 -7.567 3.164 1.00 0.00 C ATOM 910 CE2 PHE A 57 2.870 -6.275 3.308 1.00 0.00 C ATOM 911 CZ PHE A 57 2.221 -7.439 2.945 1.00 0.00 C ATOM 0 H PHE A 57 -1.990 -5.588 5.177 1.00 0.00 H new ATOM 0 HA PHE A 57 0.291 -5.160 6.677 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.830 -3.994 4.128 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.660 -3.348 4.787 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.902 -6.638 3.920 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.673 -4.336 4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.354 -8.475 2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.931 -6.171 3.135 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.774 -8.248 2.491 1.00 0.00 H new ATOM 921 N LYS A 58 -1.673 -2.495 6.584 1.00 0.00 N ATOM 922 CA LYS A 58 -1.967 -1.233 7.252 1.00 0.00 C ATOM 923 C LYS A 58 -2.148 -1.442 8.753 1.00 0.00 C ATOM 924 O LYS A 58 -1.690 -0.635 9.560 1.00 0.00 O ATOM 925 CB LYS A 58 -3.227 -0.600 6.659 1.00 0.00 C ATOM 926 CG LYS A 58 -3.186 -0.465 5.147 1.00 0.00 C ATOM 927 CD LYS A 58 -4.583 -0.387 4.555 1.00 0.00 C ATOM 928 CE LYS A 58 -5.026 1.054 4.359 1.00 0.00 C ATOM 929 NZ LYS A 58 -6.499 1.209 4.517 1.00 0.00 N ATOM 0 H LYS A 58 -2.312 -2.728 5.824 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.123 -0.562 7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.092 -1.202 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.370 0.387 7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.625 0.429 4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.656 -1.316 4.719 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.603 -0.908 3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.287 -0.899 5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.515 1.692 5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.730 1.393 3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.869 1.806 3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.953 0.274 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.705 1.656 5.433 1.00 0.00 H new ATOM 943 N GLN A 59 -2.818 -2.531 9.117 1.00 0.00 N ATOM 944 CA GLN A 59 -3.059 -2.845 10.521 1.00 0.00 C ATOM 945 C GLN A 59 -1.757 -3.205 11.229 1.00 0.00 C ATOM 946 O GLN A 59 -1.543 -2.834 12.383 1.00 0.00 O ATOM 947 CB GLN A 59 -4.056 -3.998 10.643 1.00 0.00 C ATOM 948 CG GLN A 59 -4.381 -4.371 12.081 1.00 0.00 C ATOM 949 CD GLN A 59 -5.404 -3.443 12.707 1.00 0.00 C ATOM 950 OE1 GLN A 59 -6.605 -3.570 12.465 1.00 0.00 O ATOM 951 NE2 GLN A 59 -4.933 -2.502 13.517 1.00 0.00 N ATOM 0 H GLN A 59 -3.203 -3.210 8.460 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.478 -1.960 10.999 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.978 -3.726 10.130 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.652 -4.872 10.132 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.757 -5.394 12.111 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.466 -4.350 12.674 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.930 -2.433 13.690 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.574 -1.848 13.967 1.00 0.00 H new ATOM 960 N SER A 60 -0.890 -3.930 10.530 1.00 0.00 N ATOM 961 CA SER A 60 0.390 -4.344 11.093 1.00 0.00 C ATOM 962 C SER A 60 1.300 -3.140 11.317 1.00 0.00 C ATOM 963 O SER A 60 1.699 -2.851 12.445 1.00 0.00 O ATOM 964 CB SER A 60 1.077 -5.351 10.168 1.00 0.00 C ATOM 965 OG SER A 60 2.018 -6.137 10.879 1.00 0.00 O ATOM 0 H SER A 60 -1.050 -4.243 9.573 1.00 0.00 H new ATOM 0 HA SER A 60 0.199 -4.818 12.056 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.329 -5.999 9.711 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.579 -4.822 9.358 1.00 0.00 H new ATOM 0 HG SER A 60 2.442 -6.774 10.266 1.00 0.00 H new ATOM 971 N TYR A 61 1.623 -2.441 10.235 1.00 0.00 N ATOM 972 CA TYR A 61 2.488 -1.270 10.311 1.00 0.00 C ATOM 973 C TYR A 61 2.059 -0.350 11.450 1.00 0.00 C ATOM 974 O TYR A 61 2.890 0.134 12.219 1.00 0.00 O ATOM 975 CB TYR A 61 2.464 -0.505 8.987 1.00 0.00 C ATOM 976 CG TYR A 61 3.174 0.829 9.045 1.00 0.00 C ATOM 977 CD1 TYR A 61 4.556 0.908 8.932 1.00 0.00 C ATOM 978 CD2 TYR A 61 2.462 2.010 9.212 1.00 0.00 C ATOM 979 CE1 TYR A 61 5.209 2.124 8.985 1.00 0.00 C ATOM 980 CE2 TYR A 61 3.106 3.231 9.265 1.00 0.00 C ATOM 981 CZ TYR A 61 4.479 3.283 9.151 1.00 0.00 C ATOM 982 OH TYR A 61 5.126 4.497 9.204 1.00 0.00 O ATOM 0 H TYR A 61 1.299 -2.665 9.294 1.00 0.00 H new ATOM 0 HA TYR A 61 3.504 -1.612 10.507 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.925 -1.119 8.214 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.428 -0.343 8.689 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.130 0.003 8.800 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.386 1.973 9.302 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.285 2.167 8.897 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.537 4.140 9.395 1.00 0.00 H new ATOM 0 HH TYR A 61 4.467 5.221 9.166 1.00 0.00 H new ATOM 992 N TRP A 62 0.756 -0.114 11.552 1.00 0.00 N ATOM 993 CA TRP A 62 0.215 0.748 12.597 1.00 0.00 C ATOM 994 C TRP A 62 0.651 0.269 13.978 1.00 0.00 C ATOM 995 O TRP A 62 1.434 0.932 14.656 1.00 0.00 O ATOM 996 CB TRP A 62 -1.312 0.785 12.516 1.00 0.00 C ATOM 997 CG TRP A 62 -1.831 1.832 11.577 1.00 0.00 C ATOM 998 CD1 TRP A 62 -2.753 1.658 10.585 1.00 0.00 C ATOM 999 CD2 TRP A 62 -1.456 3.214 11.542 1.00 0.00 C ATOM 1000 NE1 TRP A 62 -2.974 2.849 9.935 1.00 0.00 N ATOM 1001 CE2 TRP A 62 -2.192 3.818 10.504 1.00 0.00 C ATOM 1002 CE3 TRP A 62 -0.573 3.999 12.288 1.00 0.00 C ATOM 1003 CZ2 TRP A 62 -2.068 5.170 10.194 1.00 0.00 C ATOM 1004 CZ3 TRP A 62 -0.451 5.340 11.979 1.00 0.00 C ATOM 1005 CH2 TRP A 62 -1.196 5.915 10.940 1.00 0.00 C ATOM 0 H TRP A 62 0.055 -0.507 10.924 1.00 0.00 H new ATOM 0 HA TRP A 62 0.605 1.754 12.442 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -1.676 -0.192 12.197 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -1.717 0.966 13.511 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -3.237 0.723 10.346 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -3.617 2.988 9.155 1.00 0.00 H new ATOM 0 HE3 TRP A 62 0.004 3.565 13.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -2.640 5.615 9.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.230 5.956 12.548 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -1.079 6.967 10.724 1.00 0.00 H new ATOM 1016 N ASN A 63 0.139 -0.887 14.387 1.00 0.00 N ATOM 1017 CA ASN A 63 0.476 -1.455 15.688 1.00 0.00 C ATOM 1018 C ASN A 63 1.953 -1.242 16.008 1.00 0.00 C ATOM 1019 O ASN A 63 2.298 -0.635 17.021 1.00 0.00 O ATOM 1020 CB ASN A 63 0.146 -2.948 15.717 1.00 0.00 C ATOM 1021 CG ASN A 63 -1.308 -3.213 16.060 1.00 0.00 C ATOM 1022 OD1 ASN A 63 -1.634 -3.578 17.190 1.00 0.00 O ATOM 1023 ND2 ASN A 63 -2.189 -3.029 15.084 1.00 0.00 N ATOM 0 H ASN A 63 -0.511 -1.449 13.837 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.119 -0.944 16.445 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.373 -3.386 14.745 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.785 -3.444 16.447 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.181 -3.191 15.256 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.873 -2.726 14.163 1.00 0.00 H new ATOM 1030 N HIS A 64 2.820 -1.747 15.135 1.00 0.00 N ATOM 1031 CA HIS A 64 4.260 -1.612 15.324 1.00 0.00 C ATOM 1032 C HIS A 64 4.769 -0.314 14.703 1.00 0.00 C ATOM 1033 O HIS A 64 5.900 -0.248 14.220 1.00 0.00 O ATOM 1034 CB HIS A 64 4.990 -2.806 14.709 1.00 0.00 C ATOM 1035 CG HIS A 64 4.534 -4.128 15.245 1.00 0.00 C ATOM 1036 ND1 HIS A 64 4.645 -5.306 14.537 1.00 0.00 N ATOM 1037 CD2 HIS A 64 3.963 -4.454 16.428 1.00 0.00 C ATOM 1038 CE1 HIS A 64 4.162 -6.299 15.261 1.00 0.00 C ATOM 1039 NE2 HIS A 64 3.742 -5.809 16.413 1.00 0.00 N ATOM 0 H HIS A 64 2.551 -2.253 14.291 1.00 0.00 H new ATOM 0 HA HIS A 64 4.461 -1.586 16.395 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.846 -2.792 13.629 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.060 -2.700 14.889 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.726 -3.775 17.234 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.118 -7.336 14.962 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.322 -6.349 17.169 1.00 0.00 H new TER 1048 HIS A 64