USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 666 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 18 LYS NZ :NH3+ 160:sc= -3.26! (180deg=-2!) USER MOD Set 1.2: A 51 HIS : no HD1:sc= -7.08! K(o=-10!,f=-9.2) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.124 (180deg=0) USER MOD Single : A 5 SER OG : rot -4:sc= -0.147 USER MOD Single : A 6 MET CE :methyl -179:sc= 0 (180deg=-0.0014) USER MOD Single : A 7 ASN : amide:sc= -2.26! C(o=-2.3!,f=-5.5!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0263 USER MOD Single : A 15 ASN : amide:sc= -2.37! K(o=-2.4!,f=-0.15) USER MOD Single : A 16 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.046) USER MOD Single : A 19 GLN : amide:sc= -10! C(o=-10!,f=-7.4!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -6.64! C(o=-6.6!,f=-8.5!) USER MOD Single : A 30 GLN : amide:sc= -3.28! K(o=-3.3!,f=-0.33) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= -0.498 (180deg=-0.804) USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00816 USER MOD Single : A 39 ASN : amide:sc=-0.00023 K(o=-0.00023,f=-0.63) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -152:sc= -1.71! (180deg=-2.93!) USER MOD Single : A 45 ASN : amide:sc= -9.62! C(o=-9.6!,f=-11!) USER MOD Single : A 46 GLN : amide:sc= -13.7! C(o=-14!,f=-22!) USER MOD Single : A 52 LYS NZ :NH3+ -111:sc= -0.186 (180deg=-1.25) USER MOD Single : A 57 HIS : no HE2:sc= 0.844 K(o=0.84,f=-5.3!) USER MOD Single : A 60 MET CE :methyl -150:sc= -0.0205 (180deg=-0.755) USER MOD Single : A 61 CYS SG : rot -76:sc= -1.43! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -107:sc= -1.12 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.779 X(o=-0.78,f=-0.38) USER MOD Single : A 73 LYS NZ :NH3+ 143:sc= -4.25! (180deg=-6.01!) USER MOD Single : A 75 ASN : amide:sc= -2.27! C(o=-2.3!,f=-4!) USER MOD Single : A 77 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.0094) USER MOD Single : A 79 ASN : amide:sc= -0.747 K(o=-0.75,f=-1.9) USER MOD Single : A 80 LYS NZ :NH3+ 175:sc= -0.0563 (180deg=-0.137) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.192 65.164 5.644 1.00 0.00 N ATOM 2 CA GLY A 1 -2.913 65.237 6.404 1.00 0.00 C ATOM 3 C GLY A 1 -1.901 64.279 5.784 1.00 0.00 C ATOM 4 O GLY A 1 -2.082 63.814 4.657 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.478 66.121 5.352 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.061 64.569 4.801 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.931 64.751 6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.524 66.255 6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.083 64.978 7.449 1.00 0.00 H new ATOM 10 N PRO A 2 -0.847 63.983 6.492 1.00 0.00 N ATOM 11 CA PRO A 2 0.218 63.063 6.002 1.00 0.00 C ATOM 12 C PRO A 2 -0.318 61.667 5.716 1.00 0.00 C ATOM 13 O PRO A 2 -1.221 61.185 6.399 1.00 0.00 O ATOM 14 CB PRO A 2 1.242 63.021 7.144 1.00 0.00 C ATOM 15 CG PRO A 2 0.927 64.190 8.023 1.00 0.00 C ATOM 16 CD PRO A 2 -0.558 64.488 7.837 1.00 0.00 C ATOM 0 HA PRO A 2 0.643 63.411 5.060 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.170 62.085 7.698 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.259 63.086 6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.149 63.962 9.066 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.533 65.054 7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.165 63.987 8.592 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.766 65.555 7.917 1.00 0.00 H new ATOM 24 N LEU A 3 0.254 61.017 4.713 1.00 0.00 N ATOM 25 CA LEU A 3 -0.170 59.671 4.361 1.00 0.00 C ATOM 26 C LEU A 3 0.107 58.729 5.522 1.00 0.00 C ATOM 27 O LEU A 3 -0.338 57.580 5.533 1.00 0.00 O ATOM 28 CB LEU A 3 0.581 59.197 3.117 1.00 0.00 C ATOM 29 CG LEU A 3 0.231 60.103 1.938 1.00 0.00 C ATOM 30 CD1 LEU A 3 1.414 61.021 1.632 1.00 0.00 C ATOM 31 CD2 LEU A 3 -0.078 59.246 0.712 1.00 0.00 C ATOM 0 H LEU A 3 1.004 61.395 4.135 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.239 59.676 4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.656 59.216 3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.314 58.165 2.889 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.641 60.706 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.165 61.668 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.636 61.633 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.287 60.418 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.328 59.892 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.794 58.643 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.921 58.591 0.929 1.00 0.00 H new ATOM 43 N GLY A 4 0.853 59.228 6.498 1.00 0.00 N ATOM 44 CA GLY A 4 1.193 58.435 7.669 1.00 0.00 C ATOM 45 C GLY A 4 2.120 57.293 7.289 1.00 0.00 C ATOM 46 O GLY A 4 2.221 56.298 8.003 1.00 0.00 O ATOM 0 H GLY A 4 1.233 60.175 6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.673 59.067 8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.285 58.038 8.123 1.00 0.00 H new ATOM 50 N SER A 5 2.799 57.441 6.156 1.00 0.00 N ATOM 51 CA SER A 5 3.716 56.407 5.696 1.00 0.00 C ATOM 52 C SER A 5 3.030 55.043 5.718 1.00 0.00 C ATOM 53 O SER A 5 3.692 54.005 5.764 1.00 0.00 O ATOM 54 CB SER A 5 4.941 56.375 6.606 1.00 0.00 C ATOM 55 OG SER A 5 4.561 55.861 7.876 1.00 0.00 O ATOM 0 H SER A 5 2.733 58.256 5.547 1.00 0.00 H new ATOM 0 HA SER A 5 4.021 56.632 4.674 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.721 55.753 6.166 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.356 57.377 6.714 1.00 0.00 H new ATOM 0 HG SER A 5 3.593 55.706 7.890 1.00 0.00 H new ATOM 61 N MET A 6 1.701 55.056 5.697 1.00 0.00 N ATOM 62 CA MET A 6 0.923 53.819 5.731 1.00 0.00 C ATOM 63 C MET A 6 1.143 52.998 4.461 1.00 0.00 C ATOM 64 O MET A 6 0.413 52.045 4.190 1.00 0.00 O ATOM 65 CB MET A 6 -0.560 54.159 5.885 1.00 0.00 C ATOM 66 CG MET A 6 -0.763 54.896 7.211 1.00 0.00 C ATOM 67 SD MET A 6 -2.514 55.300 7.433 1.00 0.00 S ATOM 68 CE MET A 6 -2.344 56.194 8.998 1.00 0.00 C ATOM 0 H MET A 6 1.140 55.907 5.657 1.00 0.00 H new ATOM 0 HA MET A 6 1.254 53.220 6.580 1.00 0.00 H new ATOM 0 HB2 MET A 6 -0.893 54.780 5.053 1.00 0.00 H new ATOM 0 HB3 MET A 6 -1.160 53.249 5.863 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.417 54.276 8.038 1.00 0.00 H new ATOM 0 HG3 MET A 6 -0.166 55.808 7.225 1.00 0.00 H new ATOM 0 HE1 MET A 6 -3.326 56.525 9.336 1.00 0.00 H new ATOM 0 HE2 MET A 6 -1.905 55.535 9.747 1.00 0.00 H new ATOM 0 HE3 MET A 6 -1.699 57.060 8.854 1.00 0.00 H new ATOM 78 N ASN A 7 2.158 53.376 3.690 1.00 0.00 N ATOM 79 CA ASN A 7 2.480 52.673 2.451 1.00 0.00 C ATOM 80 C ASN A 7 2.797 51.202 2.722 1.00 0.00 C ATOM 81 O ASN A 7 2.666 50.724 3.849 1.00 0.00 O ATOM 82 CB ASN A 7 3.700 53.318 1.801 1.00 0.00 C ATOM 83 CG ASN A 7 4.958 52.817 2.501 1.00 0.00 C ATOM 84 OD1 ASN A 7 4.875 52.243 3.588 1.00 0.00 O ATOM 85 ND2 ASN A 7 6.123 52.994 1.944 1.00 0.00 N ATOM 0 H ASN A 7 2.771 54.164 3.900 1.00 0.00 H new ATOM 0 HA ASN A 7 1.615 52.737 1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.736 53.071 0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.636 54.404 1.874 1.00 0.00 H new ATOM 0 HD21 ASN A 7 6.967 52.657 2.408 1.00 0.00 H new ATOM 0 HD22 ASN A 7 6.191 53.469 1.044 1.00 0.00 H new ATOM 92 N LYS A 8 3.228 50.498 1.677 1.00 0.00 N ATOM 93 CA LYS A 8 3.579 49.088 1.796 1.00 0.00 C ATOM 94 C LYS A 8 5.067 48.930 2.105 1.00 0.00 C ATOM 95 O LYS A 8 5.859 49.839 1.855 1.00 0.00 O ATOM 96 CB LYS A 8 3.234 48.362 0.493 1.00 0.00 C ATOM 97 CG LYS A 8 1.718 48.403 0.296 1.00 0.00 C ATOM 98 CD LYS A 8 1.317 47.512 -0.882 1.00 0.00 C ATOM 99 CE LYS A 8 -0.209 47.494 -0.998 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.661 48.638 -1.841 1.00 0.00 N1+ ATOM 0 H LYS A 8 3.342 50.883 0.739 1.00 0.00 H new ATOM 0 HA LYS A 8 3.009 48.651 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.738 48.837 -0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.582 47.330 0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.216 48.067 1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.395 49.428 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.760 47.886 -1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.695 46.500 -0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.539 46.553 -1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.660 47.559 -0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.698 48.624 -1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.359 49.532 -1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.242 48.557 -2.789 1.00 0.00 H new ATOM 114 N PHE A 9 5.441 47.777 2.658 1.00 0.00 N ATOM 115 CA PHE A 9 6.837 47.524 3.002 1.00 0.00 C ATOM 116 C PHE A 9 7.652 47.181 1.758 1.00 0.00 C ATOM 117 O PHE A 9 7.134 46.605 0.802 1.00 0.00 O ATOM 118 CB PHE A 9 6.933 46.373 4.008 1.00 0.00 C ATOM 119 CG PHE A 9 6.397 46.831 5.343 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.161 47.688 6.143 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.138 46.405 5.778 1.00 0.00 C ATOM 122 CE1 PHE A 9 6.664 48.118 7.379 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.640 46.835 7.013 1.00 0.00 C ATOM 124 CZ PHE A 9 5.404 47.692 7.814 1.00 0.00 C ATOM 0 H PHE A 9 4.803 47.011 2.875 1.00 0.00 H new ATOM 0 HA PHE A 9 7.244 48.432 3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.365 45.514 3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.969 46.050 4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.133 48.017 5.807 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.549 45.743 5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.253 48.779 7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.667 46.506 7.348 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.021 48.024 8.768 1.00 0.00 H new ATOM 134 N THR A 10 8.932 47.543 1.780 1.00 0.00 N ATOM 135 CA THR A 10 9.813 47.273 0.647 1.00 0.00 C ATOM 136 C THR A 10 10.351 45.850 0.712 1.00 0.00 C ATOM 137 O THR A 10 10.313 45.211 1.762 1.00 0.00 O ATOM 138 CB THR A 10 10.977 48.266 0.636 1.00 0.00 C ATOM 139 OG1 THR A 10 11.683 48.189 1.866 1.00 0.00 O ATOM 140 CG2 THR A 10 10.437 49.685 0.436 1.00 0.00 C ATOM 0 H THR A 10 9.380 48.020 2.563 1.00 0.00 H new ATOM 0 HA THR A 10 9.235 47.387 -0.270 1.00 0.00 H new ATOM 0 HB THR A 10 11.655 48.020 -0.181 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.429 48.825 1.856 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.266 50.392 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.904 49.741 -0.513 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.756 49.933 1.250 1.00 0.00 H new ATOM 148 N ASP A 11 10.829 45.349 -0.424 1.00 0.00 N ATOM 149 CA ASP A 11 11.345 43.987 -0.489 1.00 0.00 C ATOM 150 C ASP A 11 12.400 43.740 0.585 1.00 0.00 C ATOM 151 O ASP A 11 12.397 42.691 1.227 1.00 0.00 O ATOM 152 CB ASP A 11 11.964 43.727 -1.864 1.00 0.00 C ATOM 153 CG ASP A 11 10.882 43.711 -2.939 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.748 44.024 -2.616 1.00 0.00 O ATOM 155 OD2 ASP A 11 11.202 43.375 -4.067 1.00 0.00 O1- ATOM 0 H ASP A 11 10.869 45.862 -1.305 1.00 0.00 H new ATOM 0 HA ASP A 11 10.509 43.308 -0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.700 44.499 -2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.493 42.774 -1.857 1.00 0.00 H new ATOM 160 N ASP A 12 13.303 44.699 0.778 1.00 0.00 N ATOM 161 CA ASP A 12 14.350 44.543 1.780 1.00 0.00 C ATOM 162 C ASP A 12 13.762 44.554 3.182 1.00 0.00 C ATOM 163 O ASP A 12 14.135 43.743 4.027 1.00 0.00 O ATOM 164 CB ASP A 12 15.395 45.648 1.636 1.00 0.00 C ATOM 165 CG ASP A 12 16.228 45.407 0.381 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.135 44.321 -0.169 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.951 46.308 -0.011 1.00 0.00 O1- ATOM 0 H ASP A 12 13.330 45.578 0.262 1.00 0.00 H new ATOM 0 HA ASP A 12 14.834 43.580 1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.905 46.620 1.578 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.040 45.668 2.514 1.00 0.00 H new ATOM 172 N GLU A 13 12.828 45.465 3.419 1.00 0.00 N ATOM 173 CA GLU A 13 12.189 45.550 4.724 1.00 0.00 C ATOM 174 C GLU A 13 11.400 44.282 4.987 1.00 0.00 C ATOM 175 O GLU A 13 11.389 43.752 6.098 1.00 0.00 O ATOM 176 CB GLU A 13 11.254 46.756 4.760 1.00 0.00 C ATOM 177 CG GLU A 13 12.076 48.035 4.940 1.00 0.00 C ATOM 178 CD GLU A 13 11.151 49.248 4.980 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.050 49.145 4.466 1.00 0.00 O1- ATOM 180 OE2 GLU A 13 11.562 50.264 5.517 1.00 0.00 O ATOM 0 H GLU A 13 12.500 46.147 2.735 1.00 0.00 H new ATOM 0 HA GLU A 13 12.952 45.665 5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.676 46.809 3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.540 46.652 5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.655 47.978 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.789 48.137 4.122 1.00 0.00 H new ATOM 187 N TRP A 14 10.738 43.801 3.948 1.00 0.00 N ATOM 188 CA TRP A 14 9.948 42.601 4.058 1.00 0.00 C ATOM 189 C TRP A 14 10.854 41.422 4.397 1.00 0.00 C ATOM 190 O TRP A 14 10.549 40.635 5.291 1.00 0.00 O ATOM 191 CB TRP A 14 9.215 42.375 2.740 1.00 0.00 C ATOM 192 CG TRP A 14 7.964 41.599 2.977 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.628 40.475 2.314 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.874 41.864 3.919 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.406 40.026 2.780 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.904 40.845 3.771 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.631 42.872 4.876 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.740 40.821 4.540 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.460 42.850 5.649 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.519 41.826 5.482 1.00 0.00 C ATOM 0 H TRP A 14 10.736 44.228 3.022 1.00 0.00 H new ATOM 0 HA TRP A 14 9.213 42.699 4.856 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.976 43.333 2.279 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.859 41.838 2.044 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.218 40.001 1.543 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.933 39.191 2.434 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.351 43.665 5.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.016 40.031 4.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.283 43.628 6.377 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.622 41.814 6.083 1.00 0.00 H new ATOM 211 N ASN A 15 11.974 41.307 3.686 1.00 0.00 N ATOM 212 CA ASN A 15 12.917 40.220 3.937 1.00 0.00 C ATOM 213 C ASN A 15 13.372 40.216 5.396 1.00 0.00 C ATOM 214 O ASN A 15 13.523 39.157 6.004 1.00 0.00 O ATOM 215 CB ASN A 15 14.133 40.362 3.022 1.00 0.00 C ATOM 216 CG ASN A 15 13.743 40.030 1.583 1.00 0.00 C ATOM 217 OD1 ASN A 15 14.610 39.892 0.719 1.00 0.00 O ATOM 218 ND2 ASN A 15 12.483 39.898 1.271 1.00 0.00 N ATOM 0 H ASN A 15 12.249 41.946 2.940 1.00 0.00 H new ATOM 0 HA ASN A 15 12.411 39.277 3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.523 41.378 3.077 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.929 39.696 3.355 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.215 39.680 0.311 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.766 40.012 1.987 1.00 0.00 H new ATOM 225 N GLN A 16 13.572 41.404 5.955 1.00 0.00 N ATOM 226 CA GLN A 16 13.984 41.506 7.352 1.00 0.00 C ATOM 227 C GLN A 16 12.875 40.939 8.228 1.00 0.00 C ATOM 228 O GLN A 16 13.121 40.191 9.173 1.00 0.00 O ATOM 229 CB GLN A 16 14.234 42.968 7.725 1.00 0.00 C ATOM 230 CG GLN A 16 15.376 43.527 6.879 1.00 0.00 C ATOM 231 CD GLN A 16 15.372 45.050 6.942 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.273 45.631 8.024 1.00 0.00 O ATOM 233 NE2 GLN A 16 15.466 45.731 5.833 1.00 0.00 N ATOM 0 H GLN A 16 13.458 42.296 5.474 1.00 0.00 H new ATOM 0 HA GLN A 16 14.907 40.946 7.502 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.329 43.554 7.565 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.481 43.046 8.784 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.330 43.142 7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.270 43.197 5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.548 45.244 4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.458 46.751 5.858 1.00 0.00 H new ATOM 242 N LEU A 17 11.645 41.310 7.890 1.00 0.00 N ATOM 243 CA LEU A 17 10.476 40.846 8.627 1.00 0.00 C ATOM 244 C LEU A 17 10.347 39.326 8.544 1.00 0.00 C ATOM 245 O LEU A 17 9.978 38.675 9.523 1.00 0.00 O ATOM 246 CB LEU A 17 9.216 41.511 8.063 1.00 0.00 C ATOM 247 CG LEU A 17 7.974 40.964 8.777 1.00 0.00 C ATOM 248 CD1 LEU A 17 7.980 41.394 10.244 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.721 41.515 8.098 1.00 0.00 C ATOM 0 H LEU A 17 11.432 41.931 7.110 1.00 0.00 H new ATOM 0 HA LEU A 17 10.594 41.120 9.675 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.275 42.592 8.193 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.143 41.323 6.992 1.00 0.00 H new ATOM 0 HG LEU A 17 7.981 39.875 8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.094 41.001 10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.874 41.006 10.733 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.977 42.482 10.304 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.835 41.129 8.602 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.725 42.604 8.154 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.708 41.206 7.053 1.00 0.00 H new ATOM 261 N LYS A 18 10.652 38.756 7.378 1.00 0.00 N ATOM 262 CA LYS A 18 10.561 37.307 7.212 1.00 0.00 C ATOM 263 C LYS A 18 11.484 36.596 8.192 1.00 0.00 C ATOM 264 O LYS A 18 11.093 35.618 8.830 1.00 0.00 O ATOM 265 CB LYS A 18 10.953 36.906 5.792 1.00 0.00 C ATOM 266 CG LYS A 18 9.970 37.496 4.788 1.00 0.00 C ATOM 267 CD LYS A 18 10.320 36.986 3.390 1.00 0.00 C ATOM 268 CE LYS A 18 9.424 37.667 2.360 1.00 0.00 C ATOM 269 NZ LYS A 18 8.733 36.626 1.547 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.959 39.265 6.549 1.00 0.00 H new ATOM 0 HA LYS A 18 9.529 37.015 7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.962 37.256 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.966 35.820 5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.950 37.212 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.014 38.585 4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.367 37.191 3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.190 35.905 3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.691 38.301 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.018 38.314 1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.894 37.040 1.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.381 36.269 0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.441 35.841 2.164 1.00 0.00 H new ATOM 283 N GLN A 19 12.715 37.088 8.304 1.00 0.00 N ATOM 284 CA GLN A 19 13.680 36.479 9.207 1.00 0.00 C ATOM 285 C GLN A 19 13.156 36.541 10.636 1.00 0.00 C ATOM 286 O GLN A 19 13.276 35.578 11.394 1.00 0.00 O ATOM 287 CB GLN A 19 15.026 37.209 9.118 1.00 0.00 C ATOM 288 CG GLN A 19 15.651 37.047 7.719 1.00 0.00 C ATOM 289 CD GLN A 19 14.707 36.320 6.763 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.071 36.952 5.922 1.00 0.00 O ATOM 291 NE2 GLN A 19 14.593 35.019 6.833 1.00 0.00 N ATOM 0 H GLN A 19 13.062 37.896 7.787 1.00 0.00 H new ATOM 0 HA GLN A 19 13.824 35.438 8.918 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.885 38.267 9.337 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.708 36.816 9.872 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.896 38.029 7.313 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.586 36.493 7.799 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.122 34.498 7.532 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.975 34.526 6.189 1.00 0.00 H new ATOM 300 N ASP A 20 12.573 37.681 11.003 1.00 0.00 N ATOM 301 CA ASP A 20 12.035 37.852 12.347 1.00 0.00 C ATOM 302 C ASP A 20 10.943 36.827 12.628 1.00 0.00 C ATOM 303 O ASP A 20 10.911 36.221 13.699 1.00 0.00 O ATOM 304 CB ASP A 20 11.465 39.263 12.490 1.00 0.00 C ATOM 305 CG ASP A 20 12.595 40.284 12.497 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.733 39.880 12.672 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.306 41.458 12.329 1.00 0.00 O ATOM 0 H ASP A 20 12.463 38.492 10.394 1.00 0.00 H new ATOM 0 HA ASP A 20 12.840 37.703 13.067 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.780 39.472 11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.889 39.340 13.412 1.00 0.00 H new ATOM 312 N PHE A 21 10.058 36.622 11.661 1.00 0.00 N ATOM 313 CA PHE A 21 8.985 35.651 11.829 1.00 0.00 C ATOM 314 C PHE A 21 9.566 34.255 11.957 1.00 0.00 C ATOM 315 O PHE A 21 9.206 33.498 12.853 1.00 0.00 O ATOM 316 CB PHE A 21 8.033 35.708 10.635 1.00 0.00 C ATOM 317 CG PHE A 21 7.054 36.847 10.816 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.375 37.936 11.639 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.815 36.799 10.169 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.459 38.981 11.803 1.00 0.00 C ATOM 321 CE2 PHE A 21 4.899 37.845 10.332 1.00 0.00 C ATOM 322 CZ PHE A 21 5.219 38.932 11.154 1.00 0.00 C ATOM 0 H PHE A 21 10.061 37.108 10.764 1.00 0.00 H new ATOM 0 HA PHE A 21 8.431 35.892 12.736 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.598 35.845 9.713 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.495 34.765 10.542 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.328 37.968 12.146 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.565 35.955 9.544 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.708 39.825 12.430 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.946 37.813 9.824 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.508 39.734 11.288 1.00 0.00 H new ATOM 332 N ILE A 22 10.490 33.933 11.069 1.00 0.00 N ATOM 333 CA ILE A 22 11.135 32.632 11.109 1.00 0.00 C ATOM 334 C ILE A 22 11.799 32.440 12.470 1.00 0.00 C ATOM 335 O ILE A 22 11.650 31.400 13.110 1.00 0.00 O ATOM 336 CB ILE A 22 12.176 32.535 9.997 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.473 32.667 8.644 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.876 31.180 10.078 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.489 33.059 7.574 1.00 0.00 C ATOM 0 H ILE A 22 10.808 34.547 10.319 1.00 0.00 H new ATOM 0 HA ILE A 22 10.390 31.850 10.959 1.00 0.00 H new ATOM 0 HB ILE A 22 12.913 33.331 10.108 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.995 31.724 8.378 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.685 33.418 8.704 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.620 31.107 9.285 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.366 31.081 11.046 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.141 30.383 9.960 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.986 33.152 6.611 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.946 34.012 7.838 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.261 32.292 7.507 1.00 0.00 H new ATOM 351 N SER A 23 12.525 33.465 12.905 1.00 0.00 N ATOM 352 CA SER A 23 13.204 33.418 14.191 1.00 0.00 C ATOM 353 C SER A 23 12.206 33.115 15.306 1.00 0.00 C ATOM 354 O SER A 23 12.463 32.282 16.174 1.00 0.00 O ATOM 355 CB SER A 23 13.879 34.763 14.466 1.00 0.00 C ATOM 356 OG SER A 23 14.664 34.663 15.647 1.00 0.00 O ATOM 0 H SER A 23 12.657 34.334 12.387 1.00 0.00 H new ATOM 0 HA SER A 23 13.955 32.629 14.162 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.507 35.047 13.621 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.127 35.543 14.581 1.00 0.00 H new ATOM 0 HG SER A 23 15.099 35.523 15.825 1.00 0.00 H new ATOM 362 N GLY A 24 11.065 33.791 15.267 1.00 0.00 N ATOM 363 CA GLY A 24 10.028 33.586 16.274 1.00 0.00 C ATOM 364 C GLY A 24 9.487 32.160 16.225 1.00 0.00 C ATOM 365 O GLY A 24 9.104 31.593 17.247 1.00 0.00 O ATOM 0 H GLY A 24 10.833 34.483 14.554 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.434 33.790 17.265 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.214 34.293 16.111 1.00 0.00 H new ATOM 369 N ILE A 25 9.454 31.592 15.025 1.00 0.00 N ATOM 370 CA ILE A 25 8.947 30.233 14.833 1.00 0.00 C ATOM 371 C ILE A 25 9.926 29.188 15.378 1.00 0.00 C ATOM 372 O ILE A 25 9.510 28.152 15.896 1.00 0.00 O ATOM 373 CB ILE A 25 8.711 29.997 13.337 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.665 31.004 12.826 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.225 28.566 13.098 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.246 30.490 13.085 1.00 0.00 C ATOM 0 H ILE A 25 9.771 32.048 14.170 1.00 0.00 H new ATOM 0 HA ILE A 25 8.012 30.129 15.383 1.00 0.00 H new ATOM 0 HB ILE A 25 9.647 30.138 12.796 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.805 31.964 13.322 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.807 31.173 11.758 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.061 28.411 12.032 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.976 27.862 13.456 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.291 28.404 13.636 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.523 31.217 12.716 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.103 29.541 12.568 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.101 30.345 14.156 1.00 0.00 H new ATOM 388 N LEU A 26 11.224 29.460 15.257 1.00 0.00 N ATOM 389 CA LEU A 26 12.243 28.525 15.746 1.00 0.00 C ATOM 390 C LEU A 26 12.561 28.777 17.223 1.00 0.00 C ATOM 391 O LEU A 26 12.979 27.874 17.946 1.00 0.00 O ATOM 392 CB LEU A 26 13.520 28.654 14.904 1.00 0.00 C ATOM 393 CG LEU A 26 14.549 29.527 15.631 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.239 28.706 16.723 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.597 30.023 14.631 1.00 0.00 C ATOM 0 H LEU A 26 11.595 30.309 14.830 1.00 0.00 H new ATOM 0 HA LEU A 26 11.849 27.513 15.652 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.940 27.666 14.714 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.282 29.091 13.934 1.00 0.00 H new ATOM 0 HG LEU A 26 14.043 30.380 16.083 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.970 29.328 17.239 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.495 28.352 17.437 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.744 27.852 16.272 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.328 30.644 15.148 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.101 29.169 14.179 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.109 30.610 13.853 1.00 0.00 H new ATOM 407 N GLU A 27 12.335 30.007 17.665 1.00 0.00 N ATOM 408 CA GLU A 27 12.582 30.365 19.061 1.00 0.00 C ATOM 409 C GLU A 27 11.518 29.753 19.965 1.00 0.00 C ATOM 410 O GLU A 27 11.808 29.327 21.082 1.00 0.00 O ATOM 411 CB GLU A 27 12.578 31.887 19.219 1.00 0.00 C ATOM 412 CG GLU A 27 13.841 32.482 18.585 1.00 0.00 C ATOM 413 CD GLU A 27 15.037 32.292 19.512 1.00 0.00 C ATOM 414 OE1 GLU A 27 14.822 32.158 20.705 1.00 0.00 O ATOM 415 OE2 GLU A 27 16.151 32.287 19.014 1.00 0.00 O1- ATOM 0 H GLU A 27 11.984 30.770 17.086 1.00 0.00 H new ATOM 0 HA GLU A 27 13.557 29.974 19.351 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.691 32.308 18.746 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.532 32.151 20.275 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.036 32.002 17.626 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.691 33.543 18.386 1.00 0.00 H new ATOM 422 N ASN A 28 10.281 29.720 19.475 1.00 0.00 N ATOM 423 CA ASN A 28 9.170 29.170 20.249 1.00 0.00 C ATOM 424 C ASN A 28 9.074 27.653 20.096 1.00 0.00 C ATOM 425 O ASN A 28 9.551 27.079 19.118 1.00 0.00 O ATOM 426 CB ASN A 28 7.861 29.805 19.786 1.00 0.00 C ATOM 427 CG ASN A 28 7.527 29.326 18.378 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.184 28.428 17.855 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.542 29.882 17.726 1.00 0.00 N ATOM 0 H ASN A 28 10.023 30.066 18.551 1.00 0.00 H new ATOM 0 HA ASN A 28 9.350 29.396 21.300 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.055 29.541 20.471 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.948 30.891 19.800 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.316 29.572 16.781 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.998 30.627 18.162 1.00 0.00 H new ATOM 436 N GLU A 29 8.438 27.014 21.072 1.00 0.00 N ATOM 437 CA GLU A 29 8.261 25.566 21.048 1.00 0.00 C ATOM 438 C GLU A 29 7.370 25.150 19.876 1.00 0.00 C ATOM 439 O GLU A 29 7.414 24.007 19.423 1.00 0.00 O ATOM 440 CB GLU A 29 7.611 25.103 22.350 1.00 0.00 C ATOM 441 CG GLU A 29 7.622 23.575 22.403 1.00 0.00 C ATOM 442 CD GLU A 29 6.731 23.089 23.542 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.406 23.896 24.397 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 6.391 21.917 23.542 1.00 0.00 O ATOM 0 H GLU A 29 8.037 27.475 21.889 1.00 0.00 H new ATOM 0 HA GLU A 29 9.242 25.104 20.934 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.150 25.512 23.205 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.588 25.473 22.411 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.271 23.167 21.455 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.641 23.215 22.547 1.00 0.00 H new ATOM 451 N GLN A 30 6.543 26.080 19.412 1.00 0.00 N ATOM 452 CA GLN A 30 5.622 25.801 18.311 1.00 0.00 C ATOM 453 C GLN A 30 6.374 25.412 17.042 1.00 0.00 C ATOM 454 O GLN A 30 5.768 24.950 16.075 1.00 0.00 O ATOM 455 CB GLN A 30 4.761 27.032 18.024 1.00 0.00 C ATOM 456 CG GLN A 30 3.967 27.401 19.277 1.00 0.00 C ATOM 457 CD GLN A 30 3.118 28.641 19.013 1.00 0.00 C ATOM 458 OE1 GLN A 30 2.495 29.174 19.933 1.00 0.00 O ATOM 459 NE2 GLN A 30 3.043 29.129 17.806 1.00 0.00 N ATOM 0 H GLN A 30 6.490 27.031 19.778 1.00 0.00 H new ATOM 0 HA GLN A 30 4.990 24.965 18.612 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.392 27.868 17.721 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.081 26.829 17.196 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.327 26.568 19.570 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.648 27.587 20.107 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.559 28.688 17.045 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.469 29.952 17.623 1.00 0.00 H new ATOM 468 N LYS A 31 7.686 25.616 17.038 1.00 0.00 N ATOM 469 CA LYS A 31 8.488 25.289 15.864 1.00 0.00 C ATOM 470 C LYS A 31 8.230 23.855 15.414 1.00 0.00 C ATOM 471 O LYS A 31 8.436 23.514 14.254 1.00 0.00 O ATOM 472 CB LYS A 31 9.981 25.508 16.168 1.00 0.00 C ATOM 473 CG LYS A 31 10.659 24.206 16.623 1.00 0.00 C ATOM 474 CD LYS A 31 10.118 23.788 17.992 1.00 0.00 C ATOM 475 CE LYS A 31 10.606 22.376 18.317 1.00 0.00 C ATOM 476 NZ LYS A 31 12.009 22.440 18.814 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.212 26.001 17.823 1.00 0.00 H new ATOM 0 HA LYS A 31 8.198 25.951 15.048 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.483 25.889 15.279 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.088 26.266 16.944 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.477 23.417 15.894 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.738 24.347 16.677 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.454 24.487 18.758 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.028 23.817 17.990 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.962 21.921 19.070 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.551 21.747 17.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.343 21.480 19.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.618 22.858 18.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.047 23.027 19.672 1.00 0.00 H new ATOM 490 N ASP A 32 7.779 23.016 16.334 1.00 0.00 N ATOM 491 CA ASP A 32 7.503 21.627 16.002 1.00 0.00 C ATOM 492 C ASP A 32 6.488 21.541 14.868 1.00 0.00 C ATOM 493 O ASP A 32 6.602 20.698 13.980 1.00 0.00 O ATOM 494 CB ASP A 32 6.964 20.895 17.229 1.00 0.00 C ATOM 495 CG ASP A 32 6.948 19.392 16.974 1.00 0.00 C ATOM 496 OD1 ASP A 32 7.371 18.991 15.902 1.00 0.00 O1- ATOM 497 OD2 ASP A 32 6.513 18.666 17.852 1.00 0.00 O ATOM 0 H ASP A 32 7.598 23.269 17.306 1.00 0.00 H new ATOM 0 HA ASP A 32 8.432 21.157 15.679 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.584 21.118 18.097 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.957 21.244 17.458 1.00 0.00 H new ATOM 502 N LEU A 33 5.499 22.426 14.898 1.00 0.00 N ATOM 503 CA LEU A 33 4.478 22.434 13.860 1.00 0.00 C ATOM 504 C LEU A 33 5.110 22.676 12.497 1.00 0.00 C ATOM 505 O LEU A 33 4.703 22.075 11.503 1.00 0.00 O ATOM 506 CB LEU A 33 3.436 23.525 14.137 1.00 0.00 C ATOM 507 CG LEU A 33 2.515 23.091 15.285 1.00 0.00 C ATOM 508 CD1 LEU A 33 3.077 23.596 16.615 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.119 23.682 15.075 1.00 0.00 C ATOM 0 H LEU A 33 5.383 23.138 15.619 1.00 0.00 H new ATOM 0 HA LEU A 33 3.986 21.461 13.862 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.935 24.459 14.394 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.848 23.714 13.239 1.00 0.00 H new ATOM 0 HG LEU A 33 2.455 22.003 15.302 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.421 23.286 17.428 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.071 23.178 16.772 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.140 24.684 16.594 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.466 23.373 15.891 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.184 24.770 15.055 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.711 23.325 14.129 1.00 0.00 H new ATOM 521 N VAL A 34 6.099 23.564 12.453 1.00 0.00 N ATOM 522 CA VAL A 34 6.764 23.871 11.196 1.00 0.00 C ATOM 523 C VAL A 34 7.542 22.662 10.679 1.00 0.00 C ATOM 524 O VAL A 34 7.642 22.451 9.469 1.00 0.00 O ATOM 525 CB VAL A 34 7.685 25.095 11.351 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.020 24.734 12.030 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.967 25.665 9.966 1.00 0.00 C ATOM 0 H VAL A 34 6.452 24.076 13.262 1.00 0.00 H new ATOM 0 HA VAL A 34 5.999 24.115 10.459 1.00 0.00 H new ATOM 0 HB VAL A 34 7.180 25.825 11.984 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.637 25.628 12.118 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.825 24.328 13.023 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.544 23.990 11.430 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.619 26.534 10.056 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.455 24.907 9.353 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.029 25.962 9.497 1.00 0.00 H new ATOM 537 N ALA A 35 8.089 21.876 11.598 1.00 0.00 N ATOM 538 CA ALA A 35 8.849 20.697 11.216 1.00 0.00 C ATOM 539 C ALA A 35 7.935 19.691 10.543 1.00 0.00 C ATOM 540 O ALA A 35 8.318 19.031 9.577 1.00 0.00 O ATOM 541 CB ALA A 35 9.484 20.052 12.448 1.00 0.00 C ATOM 0 H ALA A 35 8.021 22.033 12.604 1.00 0.00 H new ATOM 0 HA ALA A 35 9.635 21.001 10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.050 19.171 12.146 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.153 20.766 12.928 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.702 19.759 13.149 1.00 0.00 H new ATOM 547 N LYS A 36 6.718 19.579 11.061 1.00 0.00 N ATOM 548 CA LYS A 36 5.761 18.647 10.502 1.00 0.00 C ATOM 549 C LYS A 36 5.644 18.880 9.003 1.00 0.00 C ATOM 550 O LYS A 36 5.620 17.934 8.217 1.00 0.00 O ATOM 551 CB LYS A 36 4.390 18.847 11.153 1.00 0.00 C ATOM 552 CG LYS A 36 4.498 18.657 12.670 1.00 0.00 C ATOM 553 CD LYS A 36 3.096 18.483 13.263 1.00 0.00 C ATOM 554 CE LYS A 36 3.190 18.286 14.780 1.00 0.00 C ATOM 555 NZ LYS A 36 4.518 17.705 15.133 1.00 0.00 N1+ ATOM 0 H LYS A 36 6.378 20.117 11.858 1.00 0.00 H new ATOM 0 HA LYS A 36 6.103 17.630 10.693 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.014 19.845 10.929 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.674 18.136 10.739 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.111 17.784 12.895 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.991 19.518 13.121 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.486 19.358 13.039 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.603 17.625 12.806 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.053 19.240 15.289 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.392 17.626 15.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.522 17.432 16.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.697 16.866 14.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.262 18.412 14.964 1.00 0.00 H new ATOM 569 N LEU A 37 5.580 20.152 8.615 1.00 0.00 N ATOM 570 CA LEU A 37 5.468 20.511 7.206 1.00 0.00 C ATOM 571 C LEU A 37 6.716 20.077 6.437 1.00 0.00 C ATOM 572 O LEU A 37 6.624 19.357 5.442 1.00 0.00 O ATOM 573 CB LEU A 37 5.303 22.028 7.067 1.00 0.00 C ATOM 574 CG LEU A 37 4.577 22.356 5.759 1.00 0.00 C ATOM 575 CD1 LEU A 37 4.055 23.795 5.813 1.00 0.00 C ATOM 576 CD2 LEU A 37 5.539 22.209 4.578 1.00 0.00 C ATOM 0 H LEU A 37 5.604 20.947 9.254 1.00 0.00 H new ATOM 0 HA LEU A 37 4.597 20.001 6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.740 22.420 7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.280 22.512 7.082 1.00 0.00 H new ATOM 0 HG LEU A 37 3.742 21.667 5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.538 24.030 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.363 23.900 6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.892 24.481 5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.016 22.444 3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.378 22.893 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.910 21.185 4.536 1.00 0.00 H new ATOM 588 N THR A 38 7.881 20.528 6.899 1.00 0.00 N ATOM 589 CA THR A 38 9.137 20.188 6.238 1.00 0.00 C ATOM 590 C THR A 38 10.126 19.556 7.215 1.00 0.00 C ATOM 591 O THR A 38 10.539 20.191 8.184 1.00 0.00 O ATOM 592 CB THR A 38 9.748 21.460 5.644 1.00 0.00 C ATOM 593 OG1 THR A 38 8.787 22.098 4.812 1.00 0.00 O ATOM 594 CG2 THR A 38 10.988 21.107 4.820 1.00 0.00 C ATOM 0 H THR A 38 7.980 21.124 7.721 1.00 0.00 H new ATOM 0 HA THR A 38 8.929 19.463 5.451 1.00 0.00 H new ATOM 0 HB THR A 38 10.038 22.133 6.451 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.174 22.914 4.431 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.417 22.017 4.401 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.724 20.620 5.460 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.708 20.432 4.011 1.00 0.00 H new ATOM 602 N ASN A 39 10.513 18.311 6.931 1.00 0.00 N ATOM 603 CA ASN A 39 11.471 17.573 7.765 1.00 0.00 C ATOM 604 C ASN A 39 11.729 18.273 9.099 1.00 0.00 C ATOM 605 O ASN A 39 10.803 18.750 9.758 1.00 0.00 O ATOM 606 CB ASN A 39 12.795 17.419 7.015 1.00 0.00 C ATOM 607 CG ASN A 39 12.574 16.661 5.713 1.00 0.00 C ATOM 608 OD1 ASN A 39 11.785 15.717 5.670 1.00 0.00 O ATOM 609 ND2 ASN A 39 13.230 17.017 4.641 1.00 0.00 N ATOM 0 H ASN A 39 10.176 17.787 6.124 1.00 0.00 H new ATOM 0 HA ASN A 39 11.036 16.596 7.976 1.00 0.00 H new ATOM 0 HB2 ASN A 39 13.220 18.401 6.806 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.514 16.887 7.637 1.00 0.00 H new ATOM 0 HD21 ASN A 39 13.089 16.513 3.766 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.883 17.800 4.679 1.00 0.00 H new ATOM 616 N SER A 40 12.999 18.321 9.494 1.00 0.00 N ATOM 617 CA SER A 40 13.382 18.961 10.746 1.00 0.00 C ATOM 618 C SER A 40 13.575 20.455 10.524 1.00 0.00 C ATOM 619 O SER A 40 14.172 21.149 11.347 1.00 0.00 O ATOM 620 CB SER A 40 14.675 18.349 11.284 1.00 0.00 C ATOM 621 OG SER A 40 14.492 16.951 11.466 1.00 0.00 O ATOM 0 H SER A 40 13.777 17.925 8.966 1.00 0.00 H new ATOM 0 HA SER A 40 12.588 18.803 11.476 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.495 18.533 10.589 1.00 0.00 H new ATOM 0 HB3 SER A 40 14.947 18.818 12.230 1.00 0.00 H new ATOM 0 HG SER A 40 15.320 16.555 11.809 1.00 0.00 H new ATOM 627 N ASP A 41 13.072 20.938 9.395 1.00 0.00 N ATOM 628 CA ASP A 41 13.191 22.348 9.056 1.00 0.00 C ATOM 629 C ASP A 41 13.217 23.199 10.313 1.00 0.00 C ATOM 630 O ASP A 41 12.169 23.556 10.850 1.00 0.00 O ATOM 631 CB ASP A 41 12.004 22.776 8.191 1.00 0.00 C ATOM 632 CG ASP A 41 11.934 24.294 8.108 1.00 0.00 C ATOM 633 OD1 ASP A 41 12.804 24.938 8.673 1.00 0.00 O ATOM 634 OD2 ASP A 41 11.020 24.793 7.475 1.00 0.00 O1- ATOM 0 H ASP A 41 12.579 20.375 8.701 1.00 0.00 H new ATOM 0 HA ASP A 41 14.122 22.491 8.507 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.103 22.354 7.191 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.078 22.385 8.612 1.00 0.00 H new ATOM 639 N PRO A 42 14.382 23.543 10.786 1.00 0.00 N ATOM 640 CA PRO A 42 14.522 24.383 11.993 1.00 0.00 C ATOM 641 C PRO A 42 14.385 25.864 11.661 1.00 0.00 C ATOM 642 O PRO A 42 13.524 26.557 12.202 1.00 0.00 O ATOM 643 CB PRO A 42 15.928 24.053 12.496 1.00 0.00 C ATOM 644 CG PRO A 42 16.704 23.642 11.281 1.00 0.00 C ATOM 645 CD PRO A 42 15.692 23.170 10.227 1.00 0.00 C ATOM 0 HA PRO A 42 13.749 24.186 12.736 1.00 0.00 H new ATOM 0 HB2 PRO A 42 16.384 24.917 12.979 1.00 0.00 H new ATOM 0 HB3 PRO A 42 15.902 23.252 13.234 1.00 0.00 H new ATOM 0 HG2 PRO A 42 17.293 24.477 10.901 1.00 0.00 H new ATOM 0 HG3 PRO A 42 17.404 22.843 11.525 1.00 0.00 H new ATOM 0 HD2 PRO A 42 15.866 23.652 9.265 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.762 22.095 10.062 1.00 0.00 H new ATOM 653 N ILE A 43 15.246 26.341 10.770 1.00 0.00 N ATOM 654 CA ILE A 43 15.220 27.744 10.372 1.00 0.00 C ATOM 655 C ILE A 43 14.666 27.930 8.961 1.00 0.00 C ATOM 656 O ILE A 43 14.274 29.035 8.591 1.00 0.00 O ATOM 657 CB ILE A 43 16.627 28.334 10.464 1.00 0.00 C ATOM 658 CG1 ILE A 43 17.496 27.763 9.341 1.00 0.00 C ATOM 659 CG2 ILE A 43 17.236 27.973 11.822 1.00 0.00 C ATOM 660 CD1 ILE A 43 18.919 28.309 9.464 1.00 0.00 C ATOM 0 H ILE A 43 15.966 25.782 10.312 1.00 0.00 H new ATOM 0 HA ILE A 43 14.554 28.270 11.056 1.00 0.00 H new ATOM 0 HB ILE A 43 16.578 29.418 10.363 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.508 26.674 9.395 1.00 0.00 H new ATOM 0 HG13 ILE A 43 17.076 28.030 8.371 1.00 0.00 H new ATOM 0 HG21 ILE A 43 18.240 28.391 11.893 1.00 0.00 H new ATOM 0 HG22 ILE A 43 16.615 28.382 12.619 1.00 0.00 H new ATOM 0 HG23 ILE A 43 17.287 26.889 11.921 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.536 27.901 8.663 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.899 29.396 9.389 1.00 0.00 H new ATOM 0 HD13 ILE A 43 19.338 28.020 10.428 1.00 0.00 H new ATOM 672 N MET A 44 14.621 26.857 8.171 1.00 0.00 N ATOM 673 CA MET A 44 14.092 26.970 6.816 1.00 0.00 C ATOM 674 C MET A 44 12.625 27.374 6.884 1.00 0.00 C ATOM 675 O MET A 44 12.111 28.074 6.010 1.00 0.00 O ATOM 676 CB MET A 44 14.239 25.643 6.060 1.00 0.00 C ATOM 677 CG MET A 44 13.952 25.867 4.573 1.00 0.00 C ATOM 678 SD MET A 44 12.378 25.084 4.136 1.00 0.00 S ATOM 679 CE MET A 44 12.159 25.888 2.528 1.00 0.00 C ATOM 0 H MET A 44 14.936 25.924 8.438 1.00 0.00 H new ATOM 0 HA MET A 44 14.658 27.730 6.277 1.00 0.00 H new ATOM 0 HB2 MET A 44 15.246 25.247 6.191 1.00 0.00 H new ATOM 0 HB3 MET A 44 13.550 24.903 6.467 1.00 0.00 H new ATOM 0 HG2 MET A 44 13.912 26.935 4.356 1.00 0.00 H new ATOM 0 HG3 MET A 44 14.758 25.450 3.969 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.096 25.964 2.301 1.00 0.00 H new ATOM 0 HE2 MET A 44 12.595 26.886 2.558 1.00 0.00 H new ATOM 0 HE3 MET A 44 12.654 25.299 1.756 1.00 0.00 H new ATOM 689 N ASN A 45 11.960 26.931 7.940 1.00 0.00 N ATOM 690 CA ASN A 45 10.556 27.247 8.145 1.00 0.00 C ATOM 691 C ASN A 45 9.833 27.426 6.819 1.00 0.00 C ATOM 692 O ASN A 45 8.972 28.295 6.683 1.00 0.00 O ATOM 693 CB ASN A 45 10.417 28.508 8.996 1.00 0.00 C ATOM 694 CG ASN A 45 10.936 28.237 10.408 1.00 0.00 C ATOM 695 OD1 ASN A 45 10.153 28.162 11.353 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.219 28.077 10.606 1.00 0.00 N ATOM 0 H ASN A 45 12.372 26.350 8.670 1.00 0.00 H new ATOM 0 HA ASN A 45 10.096 26.410 8.670 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.976 29.327 8.544 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.373 28.818 9.035 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.571 27.890 11.545 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.868 28.139 9.821 1.00 0.00 H new ATOM 703 N GLN A 46 10.185 26.598 5.847 1.00 0.00 N ATOM 704 CA GLN A 46 9.551 26.668 4.544 1.00 0.00 C ATOM 705 C GLN A 46 9.709 28.066 3.954 1.00 0.00 C ATOM 706 O GLN A 46 8.724 28.709 3.603 1.00 0.00 O ATOM 707 CB GLN A 46 8.055 26.332 4.652 1.00 0.00 C ATOM 708 CG GLN A 46 7.760 25.522 5.926 1.00 0.00 C ATOM 709 CD GLN A 46 6.995 26.396 6.912 1.00 0.00 C ATOM 710 OE1 GLN A 46 7.593 27.027 7.784 1.00 0.00 O ATOM 711 NE2 GLN A 46 5.696 26.481 6.821 1.00 0.00 N ATOM 0 H GLN A 46 10.900 25.876 5.936 1.00 0.00 H new ATOM 0 HA GLN A 46 10.036 25.941 3.893 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.472 27.253 4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.742 25.764 3.776 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.176 24.635 5.680 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.691 25.177 6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.200 25.959 6.099 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.177 27.070 7.472 1.00 0.00 H new ATOM 720 N LEU A 47 10.944 28.543 3.852 1.00 0.00 N ATOM 721 CA LEU A 47 11.172 29.878 3.311 1.00 0.00 C ATOM 722 C LEU A 47 10.281 30.118 2.093 1.00 0.00 C ATOM 723 O LEU A 47 9.593 31.133 2.013 1.00 0.00 O ATOM 724 CB LEU A 47 12.642 30.064 2.909 1.00 0.00 C ATOM 725 CG LEU A 47 13.542 30.040 4.148 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.993 30.288 3.737 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.106 31.139 5.120 1.00 0.00 C ATOM 0 H LEU A 47 11.786 28.039 4.130 1.00 0.00 H new ATOM 0 HA LEU A 47 10.925 30.599 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.940 29.274 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.764 31.010 2.381 1.00 0.00 H new ATOM 0 HG LEU A 47 13.458 29.066 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.630 30.270 4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.313 29.510 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.073 31.261 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.747 31.121 6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.188 32.110 4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.072 30.970 5.420 1.00 0.00 H new ATOM 739 N ASP A 48 10.311 29.186 1.146 1.00 0.00 N ATOM 740 CA ASP A 48 9.513 29.318 -0.074 1.00 0.00 C ATOM 741 C ASP A 48 8.016 29.420 0.225 1.00 0.00 C ATOM 742 O ASP A 48 7.367 30.397 -0.160 1.00 0.00 O ATOM 743 CB ASP A 48 9.765 28.116 -0.985 1.00 0.00 C ATOM 744 CG ASP A 48 11.071 28.299 -1.751 1.00 0.00 C ATOM 745 OD1 ASP A 48 11.352 29.417 -2.150 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 11.770 27.315 -1.936 1.00 0.00 O ATOM 0 H ASP A 48 10.873 28.337 1.196 1.00 0.00 H new ATOM 0 HA ASP A 48 9.819 30.240 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.808 27.203 -0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.937 28.002 -1.685 1.00 0.00 H new ATOM 751 N LEU A 49 7.471 28.418 0.909 1.00 0.00 N ATOM 752 CA LEU A 49 6.043 28.439 1.237 1.00 0.00 C ATOM 753 C LEU A 49 5.733 29.593 2.185 1.00 0.00 C ATOM 754 O LEU A 49 4.707 30.260 2.055 1.00 0.00 O ATOM 755 CB LEU A 49 5.626 27.117 1.884 1.00 0.00 C ATOM 756 CG LEU A 49 5.962 25.950 0.950 1.00 0.00 C ATOM 757 CD1 LEU A 49 5.529 24.640 1.606 1.00 0.00 C ATOM 758 CD2 LEU A 49 5.218 26.112 -0.379 1.00 0.00 C ATOM 0 H LEU A 49 7.979 27.598 1.242 1.00 0.00 H new ATOM 0 HA LEU A 49 5.481 28.576 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.140 26.991 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.557 27.128 2.097 1.00 0.00 H new ATOM 0 HG LEU A 49 7.036 25.939 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.766 23.806 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.057 24.515 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.455 24.663 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.463 25.278 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.144 26.126 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.517 27.047 -0.852 1.00 0.00 H new ATOM 770 N LEU A 50 6.621 29.801 3.152 1.00 0.00 N ATOM 771 CA LEU A 50 6.436 30.856 4.141 1.00 0.00 C ATOM 772 C LEU A 50 6.331 32.215 3.452 1.00 0.00 C ATOM 773 O LEU A 50 5.478 33.030 3.808 1.00 0.00 O ATOM 774 CB LEU A 50 7.618 30.857 5.122 1.00 0.00 C ATOM 775 CG LEU A 50 7.258 31.658 6.378 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.330 31.445 7.454 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.179 33.143 6.033 1.00 0.00 C ATOM 0 H LEU A 50 7.474 29.254 3.271 1.00 0.00 H new ATOM 0 HA LEU A 50 5.512 30.670 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.875 29.834 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.497 31.290 4.644 1.00 0.00 H new ATOM 0 HG LEU A 50 6.293 31.318 6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.070 32.016 8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.387 30.386 7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.296 31.781 7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.923 33.711 6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.143 33.480 5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.414 33.300 5.272 1.00 0.00 H new ATOM 789 N HIS A 51 7.198 32.461 2.471 1.00 0.00 N ATOM 790 CA HIS A 51 7.183 33.727 1.750 1.00 0.00 C ATOM 791 C HIS A 51 5.848 33.948 1.045 1.00 0.00 C ATOM 792 O HIS A 51 5.260 35.024 1.147 1.00 0.00 O ATOM 793 CB HIS A 51 8.313 33.749 0.722 1.00 0.00 C ATOM 794 CG HIS A 51 9.631 33.795 1.442 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.817 34.124 0.805 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.964 33.552 2.752 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.800 34.070 1.728 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.333 33.728 2.929 1.00 0.00 N ATOM 0 H HIS A 51 7.914 31.804 2.161 1.00 0.00 H new ATOM 0 HA HIS A 51 7.324 34.530 2.474 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.262 32.864 0.088 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.211 34.616 0.069 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.268 33.267 3.528 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.839 34.279 1.519 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.865 33.619 3.792 1.00 0.00 H new ATOM 807 N LYS A 52 5.369 32.927 0.333 1.00 0.00 N ATOM 808 CA LYS A 52 4.096 33.050 -0.370 1.00 0.00 C ATOM 809 C LYS A 52 2.987 33.374 0.624 1.00 0.00 C ATOM 810 O LYS A 52 2.190 34.286 0.410 1.00 0.00 O ATOM 811 CB LYS A 52 3.762 31.740 -1.093 1.00 0.00 C ATOM 812 CG LYS A 52 4.676 31.570 -2.309 1.00 0.00 C ATOM 813 CD LYS A 52 4.413 30.211 -2.966 1.00 0.00 C ATOM 814 CE LYS A 52 3.040 30.222 -3.638 1.00 0.00 C ATOM 815 NZ LYS A 52 2.029 29.623 -2.719 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.833 32.025 0.230 1.00 0.00 H new ATOM 0 HA LYS A 52 4.177 33.853 -1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.886 30.897 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.719 31.744 -1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.497 32.372 -3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.720 31.642 -2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.187 29.996 -3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.456 29.420 -2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.756 31.243 -3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.076 29.660 -4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.711 28.710 -3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.455 29.477 -1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.215 30.265 -2.633 1.00 0.00 H new ATOM 829 N TRP A 53 2.955 32.611 1.712 1.00 0.00 N ATOM 830 CA TRP A 53 1.957 32.790 2.763 1.00 0.00 C ATOM 831 C TRP A 53 1.995 34.214 3.317 1.00 0.00 C ATOM 832 O TRP A 53 0.992 34.924 3.320 1.00 0.00 O ATOM 833 CB TRP A 53 2.284 31.794 3.881 1.00 0.00 C ATOM 834 CG TRP A 53 1.117 31.581 4.793 1.00 0.00 C ATOM 835 CD1 TRP A 53 0.112 30.704 4.578 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.840 32.213 6.076 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.766 30.755 5.649 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.359 31.672 6.600 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.509 33.192 6.831 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.875 32.089 7.830 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.990 33.615 8.067 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.197 33.062 8.566 1.00 0.00 C ATOM 0 H TRP A 53 3.616 31.855 1.890 1.00 0.00 H new ATOM 0 HA TRP A 53 0.959 32.618 2.360 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.582 30.841 3.443 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.134 32.160 4.457 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.010 30.067 3.712 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.609 30.186 5.726 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.427 33.622 6.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.792 31.661 8.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.510 34.372 8.636 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.587 33.388 9.519 1.00 0.00 H new ATOM 853 N LEU A 54 3.161 34.602 3.807 1.00 0.00 N ATOM 854 CA LEU A 54 3.337 35.926 4.397 1.00 0.00 C ATOM 855 C LEU A 54 2.979 37.024 3.401 1.00 0.00 C ATOM 856 O LEU A 54 2.202 37.929 3.711 1.00 0.00 O ATOM 857 CB LEU A 54 4.792 36.105 4.820 1.00 0.00 C ATOM 858 CG LEU A 54 4.917 37.302 5.771 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.517 36.874 7.185 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.369 37.797 5.791 1.00 0.00 C ATOM 0 H LEU A 54 4.001 34.023 3.810 1.00 0.00 H new ATOM 0 HA LEU A 54 2.675 36.003 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.151 35.200 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.418 36.261 3.942 1.00 0.00 H new ATOM 0 HG LEU A 54 4.262 38.102 5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.606 37.724 7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.486 36.520 7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.174 36.072 7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.454 38.647 6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.022 36.994 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.663 38.101 4.787 1.00 0.00 H new ATOM 872 N ASP A 55 3.563 36.955 2.212 1.00 0.00 N ATOM 873 CA ASP A 55 3.311 37.964 1.191 1.00 0.00 C ATOM 874 C ASP A 55 1.815 38.109 0.933 1.00 0.00 C ATOM 875 O ASP A 55 1.295 39.221 0.827 1.00 0.00 O ATOM 876 CB ASP A 55 4.016 37.572 -0.107 1.00 0.00 C ATOM 877 CG ASP A 55 5.526 37.611 0.092 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.955 38.086 1.128 1.00 0.00 O ATOM 879 OD2 ASP A 55 6.230 37.160 -0.798 1.00 0.00 O1- ATOM 0 H ASP A 55 4.209 36.217 1.932 1.00 0.00 H new ATOM 0 HA ASP A 55 3.699 38.919 1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.706 36.572 -0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.728 38.253 -0.908 1.00 0.00 H new ATOM 884 N ARG A 56 1.129 36.976 0.844 1.00 0.00 N ATOM 885 CA ARG A 56 -0.309 36.964 0.612 1.00 0.00 C ATOM 886 C ARG A 56 -1.044 37.594 1.791 1.00 0.00 C ATOM 887 O ARG A 56 -2.103 38.199 1.627 1.00 0.00 O ATOM 888 CB ARG A 56 -0.770 35.517 0.435 1.00 0.00 C ATOM 889 CG ARG A 56 -2.198 35.482 -0.116 1.00 0.00 C ATOM 890 CD ARG A 56 -2.635 34.023 -0.277 1.00 0.00 C ATOM 891 NE ARG A 56 -2.793 33.406 1.033 1.00 0.00 N ATOM 892 CZ ARG A 56 -3.492 32.289 1.190 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.039 31.709 0.159 1.00 0.00 N ATOM 894 NH2 ARG A 56 -3.632 31.772 2.379 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.548 36.050 0.930 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.533 37.541 -0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.097 34.994 -0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.728 34.995 1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.875 36.005 0.559 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.244 35.997 -1.076 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.575 33.974 -0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.895 33.475 -0.860 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.358 33.841 1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.930 32.114 -0.771 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.576 30.850 0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.205 32.226 3.186 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.169 30.913 2.502 1.00 0.00 H new ATOM 908 N HIS A 57 -0.467 37.438 2.981 1.00 0.00 N ATOM 909 CA HIS A 57 -1.068 37.983 4.195 1.00 0.00 C ATOM 910 C HIS A 57 -0.286 39.191 4.708 1.00 0.00 C ATOM 911 O HIS A 57 -0.463 39.605 5.853 1.00 0.00 O ATOM 912 CB HIS A 57 -1.112 36.909 5.286 1.00 0.00 C ATOM 913 CG HIS A 57 -1.958 35.752 4.829 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.275 35.910 4.424 1.00 0.00 N ATOM 915 CD2 HIS A 57 -1.692 34.410 4.725 1.00 0.00 C ATOM 916 CE1 HIS A 57 -3.746 34.693 4.099 1.00 0.00 C ATOM 917 NE2 HIS A 57 -2.821 33.743 4.265 1.00 0.00 N ATOM 0 H HIS A 57 0.411 36.941 3.130 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.080 38.304 3.950 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.102 36.566 5.512 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.520 37.328 6.206 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -3.792 36.788 4.381 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.748 33.943 4.964 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.750 34.506 3.747 1.00 0.00 H new ATOM 926 N ARG A 58 0.574 39.753 3.862 1.00 0.00 N ATOM 927 CA ARG A 58 1.368 40.915 4.249 1.00 0.00 C ATOM 928 C ARG A 58 0.473 42.048 4.734 1.00 0.00 C ATOM 929 O ARG A 58 0.841 42.804 5.627 1.00 0.00 O ATOM 930 CB ARG A 58 2.217 41.388 3.067 1.00 0.00 C ATOM 931 CG ARG A 58 1.315 41.928 1.955 1.00 0.00 C ATOM 932 CD ARG A 58 2.139 42.093 0.677 1.00 0.00 C ATOM 933 NE ARG A 58 3.308 42.924 0.939 1.00 0.00 N ATOM 934 CZ ARG A 58 4.384 42.872 0.157 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.394 42.101 -0.897 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.431 43.598 0.443 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.738 39.425 2.910 1.00 0.00 H new ATOM 0 HA ARG A 58 2.025 40.622 5.068 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.909 42.164 3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.820 40.562 2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.484 41.245 1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.885 42.885 2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.453 41.116 0.308 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.528 42.547 -0.103 1.00 0.00 H new ATOM 0 HE ARG A 58 3.301 43.558 1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.575 41.536 -1.123 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.220 42.064 -1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.423 44.203 1.264 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.257 43.560 -0.155 1.00 0.00 H new ATOM 950 N ASP A 59 -0.702 42.154 4.135 1.00 0.00 N ATOM 951 CA ASP A 59 -1.649 43.198 4.501 1.00 0.00 C ATOM 952 C ASP A 59 -1.996 43.140 5.991 1.00 0.00 C ATOM 953 O ASP A 59 -2.255 44.167 6.617 1.00 0.00 O ATOM 954 CB ASP A 59 -2.921 43.059 3.664 1.00 0.00 C ATOM 955 CG ASP A 59 -2.636 43.460 2.221 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.547 43.948 1.967 1.00 0.00 O1- ATOM 957 OD2 ASP A 59 -3.509 43.271 1.392 1.00 0.00 O ATOM 0 H ASP A 59 -1.024 41.531 3.394 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.183 44.163 4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.281 42.031 3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.710 43.688 4.077 1.00 0.00 H new ATOM 962 N MET A 60 -2.007 41.935 6.547 1.00 0.00 N ATOM 963 CA MET A 60 -2.335 41.753 7.960 1.00 0.00 C ATOM 964 C MET A 60 -1.380 42.541 8.859 1.00 0.00 C ATOM 965 O MET A 60 -1.742 42.946 9.956 1.00 0.00 O ATOM 966 CB MET A 60 -2.225 40.273 8.330 1.00 0.00 C ATOM 967 CG MET A 60 -0.758 39.940 8.610 1.00 0.00 C ATOM 968 SD MET A 60 -0.480 38.167 8.386 1.00 0.00 S ATOM 969 CE MET A 60 -1.712 37.588 9.577 1.00 0.00 C ATOM 0 H MET A 60 -1.794 41.072 6.047 1.00 0.00 H new ATOM 0 HA MET A 60 -3.352 42.115 8.111 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.835 40.057 9.208 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.604 39.652 7.518 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.112 40.506 7.939 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.496 40.233 9.627 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.389 36.637 10.002 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.821 38.323 10.374 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.670 37.454 9.074 1.00 0.00 H new ATOM 979 N CYS A 61 -0.151 42.727 8.392 1.00 0.00 N ATOM 980 CA CYS A 61 0.867 43.431 9.175 1.00 0.00 C ATOM 981 C CYS A 61 0.468 44.874 9.452 1.00 0.00 C ATOM 982 O CYS A 61 0.893 45.458 10.449 1.00 0.00 O ATOM 983 CB CYS A 61 2.217 43.388 8.455 1.00 0.00 C ATOM 984 SG CYS A 61 2.177 44.440 6.982 1.00 0.00 S ATOM 0 H CYS A 61 0.168 42.403 7.479 1.00 0.00 H new ATOM 0 HA CYS A 61 0.955 42.920 10.134 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.007 43.723 9.128 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.453 42.362 8.171 1.00 0.00 H new ATOM 0 HG CYS A 61 1.516 43.839 6.038 1.00 0.00 H new ATOM 990 N GLU A 62 -0.338 45.448 8.571 1.00 0.00 N ATOM 991 CA GLU A 62 -0.771 46.825 8.746 1.00 0.00 C ATOM 992 C GLU A 62 -1.772 46.928 9.893 1.00 0.00 C ATOM 993 O GLU A 62 -2.081 48.025 10.356 1.00 0.00 O ATOM 994 CB GLU A 62 -1.415 47.336 7.456 1.00 0.00 C ATOM 995 CG GLU A 62 -0.387 47.308 6.323 1.00 0.00 C ATOM 996 CD GLU A 62 0.664 48.391 6.548 1.00 0.00 C ATOM 997 OE1 GLU A 62 0.386 49.311 7.300 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 1.728 48.290 5.959 1.00 0.00 O ATOM 0 H GLU A 62 -0.702 44.987 7.737 1.00 0.00 H new ATOM 0 HA GLU A 62 0.101 47.435 8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.274 46.717 7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.785 48.351 7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.091 46.329 6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.884 47.465 5.366 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.279 45.784 10.349 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.244 45.769 11.440 1.00 0.00 C ATOM 1007 C LYS A 63 -2.522 45.794 12.788 1.00 0.00 C ATOM 1008 O LYS A 63 -3.104 45.459 13.821 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.120 44.516 11.342 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.667 44.377 9.915 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.369 45.673 9.498 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.209 45.425 8.241 1.00 0.00 C ATOM 1013 NZ LYS A 63 -7.490 46.184 8.343 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.038 44.863 9.982 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.874 46.655 11.363 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.539 43.633 11.607 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.944 44.580 12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.854 44.155 9.224 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.366 43.542 9.864 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.006 46.030 10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.631 46.452 9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.658 45.738 7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.412 44.360 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.061 46.017 7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.017 45.865 9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.286 47.200 8.429 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.258 46.214 12.776 1.00 0.00 N ATOM 1028 CA TRP A 64 -0.483 46.298 14.012 1.00 0.00 C ATOM 1029 C TRP A 64 0.800 47.096 13.803 1.00 0.00 C ATOM 1030 O TRP A 64 1.175 47.921 14.637 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.120 44.899 14.520 1.00 0.00 C ATOM 1032 CG TRP A 64 -0.891 43.863 13.769 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.686 43.537 12.474 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -1.973 43.006 14.242 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -1.560 42.527 12.124 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -2.382 42.174 13.174 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -2.635 42.873 15.475 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -3.406 41.239 13.325 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.668 41.934 15.628 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -4.053 41.122 14.554 1.00 0.00 C ATOM 0 H TRP A 64 -0.754 46.498 11.936 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.104 46.805 14.750 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.949 44.726 14.399 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.337 44.823 15.586 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.043 43.992 11.819 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -1.594 42.094 11.201 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.348 43.496 16.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.695 40.610 12.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.169 41.837 16.580 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.851 40.405 14.678 1.00 0.00 H new ATOM 1051 N LYS A 65 1.485 46.820 12.697 1.00 0.00 N ATOM 1052 CA LYS A 65 2.743 47.490 12.398 1.00 0.00 C ATOM 1053 C LYS A 65 3.740 47.209 13.514 1.00 0.00 C ATOM 1054 O LYS A 65 4.897 47.628 13.462 1.00 0.00 O ATOM 1055 CB LYS A 65 2.537 49.001 12.236 1.00 0.00 C ATOM 1056 CG LYS A 65 3.782 49.626 11.594 1.00 0.00 C ATOM 1057 CD LYS A 65 3.597 51.144 11.480 1.00 0.00 C ATOM 1058 CE LYS A 65 4.537 51.705 10.405 1.00 0.00 C ATOM 1059 NZ LYS A 65 5.939 51.725 10.915 1.00 0.00 N1+ ATOM 0 H LYS A 65 1.190 46.140 11.997 1.00 0.00 H new ATOM 0 HA LYS A 65 3.132 47.104 11.455 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.661 49.194 11.617 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.348 49.458 13.207 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.664 49.401 12.194 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.949 49.195 10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.562 51.375 11.227 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.804 51.618 12.440 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.478 51.095 9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.227 52.713 10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.570 52.106 10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.991 52.325 11.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.234 50.758 11.157 1.00 0.00 H new ATOM 1073 N SER A 66 3.280 46.467 14.518 1.00 0.00 N ATOM 1074 CA SER A 66 4.129 46.093 15.637 1.00 0.00 C ATOM 1075 C SER A 66 4.899 44.822 15.282 1.00 0.00 C ATOM 1076 O SER A 66 5.219 44.596 14.114 1.00 0.00 O ATOM 1077 CB SER A 66 3.280 45.874 16.889 1.00 0.00 C ATOM 1078 OG SER A 66 2.519 44.682 16.742 1.00 0.00 O ATOM 0 H SER A 66 2.324 46.115 14.576 1.00 0.00 H new ATOM 0 HA SER A 66 4.839 46.895 15.841 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.920 45.803 17.768 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.617 46.725 17.045 1.00 0.00 H new ATOM 0 HG SER A 66 1.578 44.911 16.590 1.00 0.00 H new ATOM 1084 N LYS A 67 5.203 43.997 16.277 1.00 0.00 N ATOM 1085 CA LYS A 67 5.945 42.766 16.015 1.00 0.00 C ATOM 1086 C LYS A 67 5.419 41.595 16.830 1.00 0.00 C ATOM 1087 O LYS A 67 4.990 40.578 16.282 1.00 0.00 O ATOM 1088 CB LYS A 67 7.414 42.949 16.379 1.00 0.00 C ATOM 1089 CG LYS A 67 8.165 41.643 16.098 1.00 0.00 C ATOM 1090 CD LYS A 67 9.554 41.706 16.726 1.00 0.00 C ATOM 1091 CE LYS A 67 10.318 40.421 16.405 1.00 0.00 C ATOM 1092 NZ LYS A 67 11.733 40.755 16.088 1.00 0.00 N1+ ATOM 0 H LYS A 67 4.954 44.151 17.254 1.00 0.00 H new ATOM 0 HA LYS A 67 5.823 42.552 14.953 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.847 43.764 15.799 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.510 43.220 17.430 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.609 40.798 16.504 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.248 41.483 15.023 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.098 42.570 16.345 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.471 41.832 17.805 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.275 39.738 17.253 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.855 39.911 15.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.255 39.883 15.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.764 41.392 15.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.171 41.224 16.906 1.00 0.00 H new ATOM 1106 N GLU A 68 5.499 41.741 18.144 1.00 0.00 N ATOM 1107 CA GLU A 68 5.075 40.689 19.053 1.00 0.00 C ATOM 1108 C GLU A 68 3.601 40.375 18.869 1.00 0.00 C ATOM 1109 O GLU A 68 3.180 39.224 18.981 1.00 0.00 O ATOM 1110 CB GLU A 68 5.313 41.134 20.496 1.00 0.00 C ATOM 1111 CG GLU A 68 6.799 41.423 20.710 1.00 0.00 C ATOM 1112 CD GLU A 68 7.630 40.189 20.369 1.00 0.00 C ATOM 1113 OE1 GLU A 68 7.216 39.101 20.731 1.00 0.00 O ATOM 1114 OE2 GLU A 68 8.674 40.353 19.755 1.00 0.00 O1- ATOM 0 H GLU A 68 5.854 42.579 18.604 1.00 0.00 H new ATOM 0 HA GLU A 68 5.656 39.793 18.834 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.725 42.026 20.713 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.981 40.358 21.185 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.107 42.262 20.086 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.975 41.714 21.746 1.00 0.00 H new ATOM 1121 N ASP A 69 2.818 41.405 18.593 1.00 0.00 N ATOM 1122 CA ASP A 69 1.385 41.223 18.410 1.00 0.00 C ATOM 1123 C ASP A 69 1.098 40.331 17.213 1.00 0.00 C ATOM 1124 O ASP A 69 0.321 39.386 17.307 1.00 0.00 O ATOM 1125 CB ASP A 69 0.707 42.576 18.220 1.00 0.00 C ATOM 1126 CG ASP A 69 0.949 43.448 19.446 1.00 0.00 C ATOM 1127 OD1 ASP A 69 0.707 42.974 20.544 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 1.374 44.579 19.271 1.00 0.00 O ATOM 0 H ASP A 69 3.144 42.366 18.491 1.00 0.00 H new ATOM 0 HA ASP A 69 0.987 40.740 19.302 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.098 43.068 17.329 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.363 42.439 18.065 1.00 0.00 H new ATOM 1133 N ILE A 70 1.716 40.634 16.081 1.00 0.00 N ATOM 1134 CA ILE A 70 1.486 39.841 14.885 1.00 0.00 C ATOM 1135 C ILE A 70 1.939 38.405 15.101 1.00 0.00 C ATOM 1136 O ILE A 70 1.232 37.469 14.731 1.00 0.00 O ATOM 1137 CB ILE A 70 2.217 40.447 13.693 1.00 0.00 C ATOM 1138 CG1 ILE A 70 1.887 41.932 13.630 1.00 0.00 C ATOM 1139 CG2 ILE A 70 1.729 39.778 12.405 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.612 42.578 12.447 1.00 0.00 C ATOM 0 H ILE A 70 2.369 41.409 15.966 1.00 0.00 H new ATOM 0 HA ILE A 70 0.416 39.842 14.676 1.00 0.00 H new ATOM 0 HB ILE A 70 3.292 40.298 13.799 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.811 42.070 13.527 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.183 42.419 14.559 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.250 40.210 11.551 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.932 38.708 12.451 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.657 39.939 12.295 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.371 43.640 12.409 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.688 42.454 12.568 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.294 42.100 11.520 1.00 0.00 H new ATOM 1152 N LEU A 71 3.104 38.230 15.717 1.00 0.00 N ATOM 1153 CA LEU A 71 3.608 36.888 15.978 1.00 0.00 C ATOM 1154 C LEU A 71 2.559 36.080 16.726 1.00 0.00 C ATOM 1155 O LEU A 71 2.341 34.906 16.435 1.00 0.00 O ATOM 1156 CB LEU A 71 4.883 36.960 16.820 1.00 0.00 C ATOM 1157 CG LEU A 71 6.021 37.581 16.007 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.251 37.746 16.904 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.376 36.660 14.838 1.00 0.00 C ATOM 0 H LEU A 71 3.707 38.987 16.040 1.00 0.00 H new ATOM 0 HA LEU A 71 3.831 36.406 15.026 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.702 37.553 17.717 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.166 35.961 17.150 1.00 0.00 H new ATOM 0 HG LEU A 71 5.706 38.553 15.626 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.064 38.188 16.329 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.005 38.397 17.743 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.561 36.771 17.280 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.187 37.103 14.259 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.692 35.690 15.222 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.503 36.530 14.199 1.00 0.00 H new ATOM 1171 N HIS A 72 1.906 36.726 17.685 1.00 0.00 N ATOM 1172 CA HIS A 72 0.869 36.069 18.468 1.00 0.00 C ATOM 1173 C HIS A 72 -0.239 35.569 17.556 1.00 0.00 C ATOM 1174 O HIS A 72 -0.723 34.444 17.699 1.00 0.00 O ATOM 1175 CB HIS A 72 0.262 37.055 19.471 1.00 0.00 C ATOM 1176 CG HIS A 72 1.218 37.293 20.606 1.00 0.00 C ATOM 1177 ND1 HIS A 72 1.872 36.254 21.250 1.00 0.00 N ATOM 1178 CD2 HIS A 72 1.622 38.440 21.239 1.00 0.00 C ATOM 1179 CE1 HIS A 72 2.630 36.792 22.225 1.00 0.00 C ATOM 1180 NE2 HIS A 72 2.515 38.124 22.260 1.00 0.00 N ATOM 0 H HIS A 72 2.076 37.700 17.938 1.00 0.00 H new ATOM 0 HA HIS A 72 1.321 35.230 18.997 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.034 37.998 18.973 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.679 36.662 19.855 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.297 39.438 20.984 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.253 36.219 22.895 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.981 38.770 22.897 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.639 36.422 16.625 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.701 36.071 15.693 1.00 0.00 C ATOM 1191 C LYS A 73 -1.272 34.921 14.796 1.00 0.00 C ATOM 1192 O LYS A 73 -1.984 33.929 14.663 1.00 0.00 O ATOM 1193 CB LYS A 73 -2.052 37.272 14.822 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.317 38.495 15.702 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.527 38.258 16.613 1.00 0.00 C ATOM 1196 CE LYS A 73 -4.720 37.751 15.795 1.00 0.00 C ATOM 1197 NZ LYS A 73 -4.695 36.262 15.758 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.248 37.355 16.495 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.572 35.767 16.274 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.236 37.481 14.130 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.932 37.050 14.219 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.437 38.710 16.308 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.494 39.369 15.075 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.272 37.532 17.385 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.794 39.184 17.122 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.653 38.100 16.237 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.678 38.152 14.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.668 35.897 15.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.247 35.944 14.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.153 35.904 16.570 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.108 35.061 14.174 1.00 0.00 N ATOM 1212 CA LEU A 74 0.387 34.017 13.294 1.00 0.00 C ATOM 1213 C LEU A 74 0.534 32.718 14.076 1.00 0.00 C ATOM 1214 O LEU A 74 0.249 31.638 13.558 1.00 0.00 O ATOM 1215 CB LEU A 74 1.720 34.431 12.659 1.00 0.00 C ATOM 1216 CG LEU A 74 1.451 35.398 11.501 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.120 36.784 12.051 1.00 0.00 C ATOM 1218 CD2 LEU A 74 2.693 35.498 10.613 1.00 0.00 C ATOM 0 H LEU A 74 0.501 35.875 14.262 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.329 33.861 12.487 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.359 34.906 13.404 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.252 33.551 12.297 1.00 0.00 H new ATOM 0 HG LEU A 74 0.610 35.025 10.917 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.930 37.468 11.224 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.234 36.723 12.682 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.960 37.152 12.640 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.498 36.186 9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.533 35.865 11.202 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.934 34.513 10.212 1.00 0.00 H new ATOM 1230 N ASN A 75 0.942 32.824 15.337 1.00 0.00 N ATOM 1231 CA ASN A 75 1.076 31.639 16.174 1.00 0.00 C ATOM 1232 C ASN A 75 -0.258 30.898 16.217 1.00 0.00 C ATOM 1233 O ASN A 75 -0.321 29.693 15.976 1.00 0.00 O ATOM 1234 CB ASN A 75 1.476 32.039 17.601 1.00 0.00 C ATOM 1235 CG ASN A 75 2.888 32.613 17.616 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.609 32.512 16.626 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.330 33.206 18.694 1.00 0.00 N ATOM 0 H ASN A 75 1.182 33.703 15.795 1.00 0.00 H new ATOM 0 HA ASN A 75 1.848 30.994 15.754 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.773 32.776 17.990 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.423 31.170 18.257 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.276 33.587 18.715 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.729 33.288 19.514 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.325 31.639 16.519 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.662 31.055 16.586 1.00 0.00 C ATOM 1246 C GLU A 76 -3.101 30.543 15.220 1.00 0.00 C ATOM 1247 O GLU A 76 -3.743 29.498 15.112 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.678 32.099 17.064 1.00 0.00 C ATOM 1249 CG GLU A 76 -5.061 31.446 17.185 1.00 0.00 C ATOM 1250 CD GLU A 76 -5.131 30.601 18.450 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -4.429 30.921 19.391 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -5.886 29.641 18.456 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.289 32.638 16.720 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.622 30.224 17.290 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.371 32.507 18.027 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.717 32.932 16.362 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.834 32.214 17.208 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.256 30.824 16.311 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.760 31.283 14.173 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.146 30.874 12.834 1.00 0.00 C ATOM 1261 C GLN A 77 -2.359 29.645 12.408 1.00 0.00 C ATOM 1262 O GLN A 77 -2.913 28.717 11.821 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.919 32.006 11.837 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.619 31.643 10.530 1.00 0.00 C ATOM 1265 CD GLN A 77 -5.130 31.686 10.734 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -5.795 30.653 10.664 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -5.712 32.826 10.987 1.00 0.00 N ATOM 0 H GLN A 77 -2.228 32.152 14.224 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.208 30.629 12.847 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.313 32.943 12.231 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.852 32.154 11.668 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.327 32.339 9.743 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.313 30.648 10.205 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.157 33.680 11.044 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.722 32.863 11.128 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.070 29.633 12.715 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.240 28.494 12.365 1.00 0.00 C ATOM 1278 C TRP A 78 -0.872 27.230 12.938 1.00 0.00 C ATOM 1279 O TRP A 78 -0.898 26.185 12.288 1.00 0.00 O ATOM 1280 CB TRP A 78 1.173 28.679 12.921 1.00 0.00 C ATOM 1281 CG TRP A 78 2.168 28.062 11.988 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.235 26.748 11.680 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.238 28.714 11.242 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.280 26.549 10.795 1.00 0.00 N ATOM 1285 CE2 TRP A 78 3.931 27.731 10.497 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.672 30.048 11.142 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.018 28.060 9.684 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.764 30.384 10.325 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.437 29.392 9.598 1.00 0.00 C ATOM 0 H TRP A 78 -0.583 30.388 13.199 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.171 28.409 11.280 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.388 29.740 13.048 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.250 28.219 13.906 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.580 25.979 12.062 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.538 25.641 10.410 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.161 30.820 11.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.532 27.291 9.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.087 31.412 10.256 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.277 29.656 8.973 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.401 27.349 14.156 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.060 26.225 14.811 1.00 0.00 C ATOM 1302 C ASN A 79 -3.358 25.876 14.090 1.00 0.00 C ATOM 1303 O ASN A 79 -3.685 24.704 13.916 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.371 26.574 16.268 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.081 26.878 17.026 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -0.081 26.179 16.855 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -1.041 27.886 17.855 1.00 0.00 N ATOM 0 H ASN A 79 -1.385 28.209 14.705 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.389 25.367 14.777 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.037 27.436 16.309 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.894 25.745 16.744 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.181 28.096 18.362 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.870 28.464 17.996 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.095 26.907 13.675 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.361 26.703 12.973 1.00 0.00 C ATOM 1316 C LYS A 80 -5.141 26.605 11.468 1.00 0.00 C ATOM 1317 O LYS A 80 -6.087 26.415 10.704 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.326 27.857 13.264 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.767 27.806 14.728 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.973 28.728 14.923 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.540 30.181 14.736 1.00 0.00 C ATOM 1322 NZ LYS A 80 -7.944 30.976 15.928 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.839 27.885 13.812 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.791 25.768 13.331 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.841 28.810 13.053 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.195 27.790 12.610 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.026 26.785 15.007 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.949 28.116 15.378 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.756 28.476 14.208 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.394 28.588 15.919 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.460 30.235 14.598 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.997 30.595 13.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.576 31.945 15.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.982 31.004 15.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.557 30.535 16.787 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.891 26.737 11.046 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.569 26.663 9.628 1.00 0.00 C ATOM 1338 C ASP A 81 -4.683 27.291 8.796 1.00 0.00 C ATOM 1339 O ASP A 81 -5.337 26.561 8.069 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.385 25.203 9.217 1.00 0.00 C ATOM 1341 CG ASP A 81 -2.971 25.119 7.751 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -3.853 25.044 6.909 1.00 0.00 O ATOM 1343 OD2 ASP A 81 -1.779 25.127 7.491 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -4.870 28.493 8.900 1.00 0.00 O ATOM 0 H ASP A 81 -3.091 26.894 11.658 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.644 27.212 9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.627 24.733 9.844 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.313 24.653 9.373 1.00 0.00 H new TER 1349 ASP A 81