USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 826 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 97 LYS NZ :NH3+ -177:sc= 1.26 (180deg=0) USER MOD Set 1.2: A 99 ASN : amide:sc= 0.798! C(o=2.1!,f=-7.2!) USER MOD Set 2.1: A 15 LYS NZ :NH3+ 157:sc= 1.23 (180deg=-0.00604) USER MOD Set 2.2: A 67 ASN : amide:sc= 1.01 K(o=2.2,f=-5.9) USER MOD Set 3.1: A 47 ASN : amide:sc= -0.0722 X(o=0.066,f=0.14) USER MOD Set 3.2: A 62 GLN : amide:sc= 0.139 X(o=0.066,f=0.14) USER MOD Set 4.1: A 20 SER OG : rot -94:sc= 2.01 USER MOD Set 4.2: A 46 CYS SG : rot 90:sc= -1.42! USER MOD Set 5.1: A 33 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.0023) USER MOD Set 5.2: A 35 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 6 THR OG1 : rot 180:sc= -0.255 USER MOD Set 6.2: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET CE :methyl -110:sc= -1.1 (180deg=-1.58) USER MOD Single : A 0 MET N :NH3+ 130:sc= 0.0832 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= -0.0019 (180deg=-0.0517) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 21 GLN : amide:sc= -1.21! K(o=-1.2!,f=-0.02) USER MOD Single : A 22 GLN : amide:sc= -0.0096 K(o=-0.0096,f=-0.99) USER MOD Single : A 26 GLN : amide:sc= 0.147 X(o=0.15,f=-0.011) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.727 K(o=-0.73,f=-0.0074) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -70:sc= 0.0485 USER MOD Single : A 53 GLN : amide:sc= 0.716 K(o=0.72,f=-0.18) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.5) USER MOD Single : A 66 SER OG : rot -140:sc= 0.0573 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00215 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.458 K(o=-0.46,f=-1.8!) USER MOD Single : A 80 ASN : amide:sc= 0.412 K(o=0.41,f=-0.16) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -0.518 K(o=-0.52,f=-1.9) USER MOD Single : A 90 LYS NZ :NH3+ 135:sc= 1.9 (180deg=-0.75!) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -66:sc= 1.06 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -13.067 0.121 -5.326 1.00 0.00 N ATOM 2 CA MET A 0 -11.909 1.021 -5.221 1.00 0.00 C ATOM 3 C MET A 0 -12.369 2.448 -5.530 1.00 0.00 C ATOM 4 O MET A 0 -13.568 2.708 -5.481 1.00 0.00 O ATOM 5 CB MET A 0 -10.743 0.549 -6.109 1.00 0.00 C ATOM 6 CG MET A 0 -11.085 0.486 -7.608 1.00 0.00 C ATOM 7 SD MET A 0 -9.703 0.110 -8.709 1.00 0.00 S ATOM 8 CE MET A 0 -8.894 1.712 -8.705 1.00 0.00 C ATOM 0 H1 MET A 0 -12.823 -0.690 -5.929 1.00 0.00 H new ATOM 0 H2 MET A 0 -13.330 -0.218 -4.379 1.00 0.00 H new ATOM 0 H3 MET A 0 -13.869 0.634 -5.745 1.00 0.00 H new ATOM 0 HA MET A 0 -11.514 1.005 -4.205 1.00 0.00 H new ATOM 0 HB2 MET A 0 -9.897 1.221 -5.968 1.00 0.00 H new ATOM 0 HB3 MET A 0 -10.424 -0.439 -5.778 1.00 0.00 H new ATOM 0 HG2 MET A 0 -11.858 -0.268 -7.754 1.00 0.00 H new ATOM 0 HG3 MET A 0 -11.513 1.443 -7.905 1.00 0.00 H new ATOM 0 HE1 MET A 0 -9.015 2.183 -9.681 1.00 0.00 H new ATOM 0 HE2 MET A 0 -9.343 2.344 -7.939 1.00 0.00 H new ATOM 0 HE3 MET A 0 -7.833 1.583 -8.493 1.00 0.00 H new ATOM 20 N ALA A 1 -11.453 3.369 -5.845 1.00 0.00 N ATOM 21 CA ALA A 1 -11.795 4.715 -6.286 1.00 0.00 C ATOM 22 C ALA A 1 -10.632 5.297 -7.097 1.00 0.00 C ATOM 23 O ALA A 1 -9.891 6.133 -6.578 1.00 0.00 O ATOM 24 CB ALA A 1 -12.124 5.590 -5.068 1.00 0.00 C ATOM 0 H ALA A 1 -10.449 3.196 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.676 4.686 -6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.379 6.596 -5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.969 5.161 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.258 5.635 -4.408 1.00 0.00 H new ATOM 30 N ARG A 2 -10.447 4.838 -8.338 1.00 0.00 N ATOM 31 CA ARG A 2 -9.297 5.123 -9.202 1.00 0.00 C ATOM 32 C ARG A 2 -7.956 4.667 -8.611 1.00 0.00 C ATOM 33 O ARG A 2 -7.787 4.583 -7.392 1.00 0.00 O ATOM 34 CB ARG A 2 -9.211 6.599 -9.628 1.00 0.00 C ATOM 35 CG ARG A 2 -9.954 6.874 -10.942 1.00 0.00 C ATOM 36 CD ARG A 2 -9.777 8.334 -11.382 1.00 0.00 C ATOM 37 NE ARG A 2 -8.357 8.727 -11.423 1.00 0.00 N ATOM 38 CZ ARG A 2 -7.550 8.798 -12.491 1.00 0.00 C ATOM 39 NH1 ARG A 2 -7.963 8.443 -13.710 1.00 0.00 N ATOM 40 NH2 ARG A 2 -6.309 9.232 -12.299 1.00 0.00 N ATOM 0 H ARG A 2 -11.128 4.228 -8.790 1.00 0.00 H new ATOM 0 HA ARG A 2 -9.483 4.525 -10.094 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -9.628 7.226 -8.840 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.164 6.881 -9.740 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.581 6.209 -11.720 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.014 6.655 -10.817 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.221 8.472 -12.368 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.315 8.988 -10.696 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.936 8.976 -10.528 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.916 8.107 -13.848 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.325 8.508 -14.504 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.000 9.497 -11.364 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.665 9.300 -13.087 1.00 0.00 H new ATOM 54 N ILE A 3 -6.980 4.392 -9.478 1.00 0.00 N ATOM 55 CA ILE A 3 -5.590 4.279 -9.062 1.00 0.00 C ATOM 56 C ILE A 3 -5.195 5.663 -8.554 1.00 0.00 C ATOM 57 O ILE A 3 -5.385 6.648 -9.268 1.00 0.00 O ATOM 58 CB ILE A 3 -4.696 3.769 -10.218 1.00 0.00 C ATOM 59 CG1 ILE A 3 -3.248 3.494 -9.760 1.00 0.00 C ATOM 60 CG2 ILE A 3 -4.688 4.652 -11.478 1.00 0.00 C ATOM 61 CD1 ILE A 3 -2.278 4.680 -9.812 1.00 0.00 C ATOM 0 H ILE A 3 -7.132 4.244 -10.476 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.456 3.540 -8.272 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.169 2.831 -10.509 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.279 3.123 -8.736 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.841 2.693 -10.377 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.033 4.209 -12.228 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.700 4.725 -11.877 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.326 5.648 -11.222 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.295 4.361 -9.466 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.202 5.043 -10.837 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.647 5.480 -9.170 1.00 0.00 H new ATOM 73 N ASP A 4 -4.714 5.773 -7.313 1.00 0.00 N ATOM 74 CA ASP A 4 -4.177 7.035 -6.816 1.00 0.00 C ATOM 75 C ASP A 4 -3.313 6.808 -5.572 1.00 0.00 C ATOM 76 O ASP A 4 -3.855 6.396 -4.538 1.00 0.00 O ATOM 77 CB ASP A 4 -5.290 8.039 -6.491 1.00 0.00 C ATOM 78 CG ASP A 4 -4.683 9.423 -6.470 1.00 0.00 C ATOM 79 OD1 ASP A 4 -3.808 9.677 -5.624 1.00 0.00 O ATOM 80 OD2 ASP A 4 -5.056 10.238 -7.339 1.00 0.00 O ATOM 0 H ASP A 4 -4.687 5.007 -6.640 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.560 7.453 -7.612 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.083 7.983 -7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.742 7.807 -5.527 1.00 0.00 H new ATOM 85 N PRO A 5 -1.992 7.020 -5.629 1.00 0.00 N ATOM 86 CA PRO A 5 -1.123 6.877 -4.474 1.00 0.00 C ATOM 87 C PRO A 5 -1.177 8.146 -3.611 1.00 0.00 C ATOM 88 O PRO A 5 -0.160 8.810 -3.425 1.00 0.00 O ATOM 89 CB PRO A 5 0.263 6.621 -5.074 1.00 0.00 C ATOM 90 CG PRO A 5 0.235 7.415 -6.380 1.00 0.00 C ATOM 91 CD PRO A 5 -1.225 7.331 -6.825 1.00 0.00 C ATOM 0 HA PRO A 5 -1.413 6.066 -3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.057 6.965 -4.412 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.434 5.559 -5.253 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.548 8.448 -6.227 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.906 6.985 -7.124 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.553 8.273 -7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.358 6.561 -7.585 1.00 0.00 H new ATOM 99 N THR A 6 -2.343 8.481 -3.059 1.00 0.00 N ATOM 100 CA THR A 6 -2.505 9.656 -2.210 1.00 0.00 C ATOM 101 C THR A 6 -1.569 9.563 -1.001 1.00 0.00 C ATOM 102 O THR A 6 -0.814 10.477 -0.659 1.00 0.00 O ATOM 103 CB THR A 6 -3.960 9.709 -1.713 1.00 0.00 C ATOM 104 OG1 THR A 6 -4.332 8.438 -1.190 1.00 0.00 O ATOM 105 CG2 THR A 6 -4.950 10.099 -2.807 1.00 0.00 C ATOM 0 H THR A 6 -3.200 7.944 -3.189 1.00 0.00 H new ATOM 0 HA THR A 6 -2.264 10.552 -2.781 1.00 0.00 H new ATOM 0 HB THR A 6 -4.001 10.479 -0.942 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.258 8.473 -0.872 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.959 10.119 -2.395 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.696 11.086 -3.192 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.903 9.371 -3.616 1.00 0.00 H new ATOM 113 N LYS A 7 -1.718 8.445 -0.295 1.00 0.00 N ATOM 114 CA LYS A 7 -1.173 8.173 1.018 1.00 0.00 C ATOM 115 C LYS A 7 -1.559 6.737 1.361 1.00 0.00 C ATOM 116 O LYS A 7 -2.562 6.511 2.038 1.00 0.00 O ATOM 117 CB LYS A 7 -1.717 9.189 2.038 1.00 0.00 C ATOM 118 CG LYS A 7 -3.253 9.218 2.135 1.00 0.00 C ATOM 119 CD LYS A 7 -3.784 10.649 2.227 1.00 0.00 C ATOM 120 CE LYS A 7 -5.290 10.659 2.507 1.00 0.00 C ATOM 121 NZ LYS A 7 -6.121 10.371 1.319 1.00 0.00 N ATOM 0 H LYS A 7 -2.259 7.659 -0.655 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.088 8.276 1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.306 8.958 3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.361 10.184 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.683 8.725 1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.574 8.653 3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.260 11.185 3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.580 11.177 1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.511 9.923 3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.569 11.634 2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.126 10.395 1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.939 11.087 0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.883 9.429 0.949 1.00 0.00 H new ATOM 135 N LYS A 8 -0.812 5.767 0.830 1.00 0.00 N ATOM 136 CA LYS A 8 -1.028 4.342 1.039 1.00 0.00 C ATOM 137 C LYS A 8 -2.515 3.977 1.057 1.00 0.00 C ATOM 138 O LYS A 8 -3.000 3.327 1.980 1.00 0.00 O ATOM 139 CB LYS A 8 -0.206 3.840 2.244 1.00 0.00 C ATOM 140 CG LYS A 8 -0.292 4.673 3.535 1.00 0.00 C ATOM 141 CD LYS A 8 0.750 4.136 4.531 1.00 0.00 C ATOM 142 CE LYS A 8 0.920 4.999 5.792 1.00 0.00 C ATOM 143 NZ LYS A 8 1.338 6.387 5.517 1.00 0.00 N ATOM 0 H LYS A 8 -0.015 5.963 0.224 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.644 3.793 0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.525 2.823 2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.840 3.786 1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.104 5.725 3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.293 4.608 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.464 3.128 4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.713 4.058 4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.023 5.016 6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.658 4.531 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.530 6.876 6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.200 6.381 4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.579 6.884 5.007 1.00 0.00 H new ATOM 157 N GLY A 9 -3.239 4.385 0.011 1.00 0.00 N ATOM 158 CA GLY A 9 -4.660 4.112 -0.167 1.00 0.00 C ATOM 159 C GLY A 9 -5.451 4.388 1.107 1.00 0.00 C ATOM 160 O GLY A 9 -6.119 3.496 1.630 1.00 0.00 O ATOM 0 H GLY A 9 -2.838 4.929 -0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.050 4.727 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.797 3.072 -0.462 1.00 0.00 H new ATOM 164 N ARG A 10 -5.333 5.624 1.603 1.00 0.00 N ATOM 165 CA ARG A 10 -5.978 6.168 2.796 1.00 0.00 C ATOM 166 C ARG A 10 -6.013 5.195 3.980 1.00 0.00 C ATOM 167 O ARG A 10 -6.971 5.203 4.761 1.00 0.00 O ATOM 168 CB ARG A 10 -7.342 6.799 2.443 1.00 0.00 C ATOM 169 CG ARG A 10 -8.478 5.819 2.093 1.00 0.00 C ATOM 170 CD ARG A 10 -9.421 6.348 0.999 1.00 0.00 C ATOM 171 NE ARG A 10 -8.777 6.333 -0.331 1.00 0.00 N ATOM 172 CZ ARG A 10 -9.219 5.662 -1.411 1.00 0.00 C ATOM 173 NH1 ARG A 10 -10.492 5.273 -1.499 1.00 0.00 N ATOM 174 NH2 ARG A 10 -8.380 5.368 -2.400 1.00 0.00 N ATOM 0 H ARG A 10 -4.741 6.318 1.146 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.349 6.978 3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.665 7.410 3.286 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.199 7.472 1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.045 4.874 1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.057 5.609 2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.325 5.740 0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.728 7.365 1.243 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.922 6.879 -0.440 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.143 5.483 -0.742 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.814 4.765 -2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.402 5.651 -2.340 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.715 4.860 -3.218 1.00 0.00 H new ATOM 188 N ARG A 11 -4.977 4.360 4.120 1.00 0.00 N ATOM 189 CA ARG A 11 -4.973 3.335 5.135 1.00 0.00 C ATOM 190 C ARG A 11 -4.863 3.963 6.516 1.00 0.00 C ATOM 191 O ARG A 11 -4.135 4.929 6.736 1.00 0.00 O ATOM 192 CB ARG A 11 -3.870 2.293 4.888 1.00 0.00 C ATOM 193 CG ARG A 11 -4.036 1.043 5.770 1.00 0.00 C ATOM 194 CD ARG A 11 -3.206 1.087 7.059 1.00 0.00 C ATOM 195 NE ARG A 11 -1.799 0.745 6.802 1.00 0.00 N ATOM 196 CZ ARG A 11 -1.257 -0.476 6.898 1.00 0.00 C ATOM 197 NH1 ARG A 11 -2.048 -1.534 7.074 1.00 0.00 N ATOM 198 NH2 ARG A 11 0.059 -0.636 6.796 1.00 0.00 N ATOM 0 H ARG A 11 -4.139 4.385 3.538 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.920 2.799 5.082 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.881 1.998 3.839 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.897 2.745 5.082 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.089 0.929 6.029 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.752 0.162 5.195 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.266 2.083 7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.624 0.392 7.787 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.180 1.507 6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.059 -1.411 7.135 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.643 -2.467 7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.661 0.173 6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.467 -1.568 6.870 1.00 0.00 H new ATOM 212 N ASN A 12 -5.559 3.337 7.453 1.00 0.00 N ATOM 213 CA ASN A 12 -5.487 3.577 8.882 1.00 0.00 C ATOM 214 C ASN A 12 -6.149 2.351 9.482 1.00 0.00 C ATOM 215 O ASN A 12 -5.475 1.443 9.959 1.00 0.00 O ATOM 216 CB ASN A 12 -6.210 4.877 9.269 1.00 0.00 C ATOM 217 CG ASN A 12 -5.216 6.002 9.523 1.00 0.00 C ATOM 218 OD1 ASN A 12 -5.015 6.870 8.678 1.00 0.00 O ATOM 219 ND2 ASN A 12 -4.558 5.990 10.674 1.00 0.00 N ATOM 0 H ASN A 12 -6.229 2.604 7.219 1.00 0.00 H new ATOM 0 HA ASN A 12 -4.467 3.713 9.242 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.896 5.166 8.473 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.811 4.710 10.163 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.867 6.713 10.874 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.743 5.258 11.360 1.00 0.00 H new ATOM 226 N ARG A 13 -7.462 2.259 9.282 1.00 0.00 N ATOM 227 CA ARG A 13 -8.278 1.135 9.711 1.00 0.00 C ATOM 228 C ARG A 13 -7.728 -0.206 9.188 1.00 0.00 C ATOM 229 O ARG A 13 -7.591 -1.157 9.950 1.00 0.00 O ATOM 230 CB ARG A 13 -9.745 1.391 9.303 1.00 0.00 C ATOM 231 CG ARG A 13 -9.909 1.774 7.819 1.00 0.00 C ATOM 232 CD ARG A 13 -11.359 1.733 7.323 1.00 0.00 C ATOM 233 NE ARG A 13 -11.430 2.003 5.876 1.00 0.00 N ATOM 234 CZ ARG A 13 -10.989 1.184 4.907 1.00 0.00 C ATOM 235 NH1 ARG A 13 -10.590 -0.055 5.201 1.00 0.00 N ATOM 236 NH2 ARG A 13 -10.900 1.638 3.658 1.00 0.00 N ATOM 0 H ARG A 13 -7.997 2.984 8.805 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.240 1.052 10.797 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.333 0.496 9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.153 2.188 9.924 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.512 2.778 7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.308 1.098 7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.792 0.756 7.536 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.953 2.470 7.864 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.849 2.886 5.586 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.619 -0.385 6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.256 -0.672 4.461 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.165 2.599 3.445 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.566 1.024 2.915 1.00 0.00 H new ATOM 250 N PHE A 14 -7.404 -0.298 7.892 1.00 0.00 N ATOM 251 CA PHE A 14 -7.152 -1.577 7.232 1.00 0.00 C ATOM 252 C PHE A 14 -5.767 -2.125 7.583 1.00 0.00 C ATOM 253 O PHE A 14 -4.786 -1.865 6.872 1.00 0.00 O ATOM 254 CB PHE A 14 -7.396 -1.458 5.720 1.00 0.00 C ATOM 255 CG PHE A 14 -7.195 -2.694 4.858 1.00 0.00 C ATOM 256 CD1 PHE A 14 -6.914 -3.954 5.410 1.00 0.00 C ATOM 257 CD2 PHE A 14 -7.193 -2.541 3.469 1.00 0.00 C ATOM 258 CE1 PHE A 14 -6.314 -4.943 4.616 1.00 0.00 C ATOM 259 CE2 PHE A 14 -6.709 -3.573 2.662 1.00 0.00 C ATOM 260 CZ PHE A 14 -6.129 -4.715 3.244 1.00 0.00 C ATOM 0 H PHE A 14 -7.310 0.511 7.277 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.863 -2.313 7.607 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.420 -1.114 5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.740 -0.676 5.338 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.159 -4.161 6.441 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.563 -1.630 3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -5.996 -5.875 5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.780 -3.494 1.587 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.552 -5.404 2.645 1.00 0.00 H new ATOM 270 N LYS A 15 -5.713 -2.908 8.660 1.00 0.00 N ATOM 271 CA LYS A 15 -4.619 -3.811 8.986 1.00 0.00 C ATOM 272 C LYS A 15 -4.535 -4.900 7.911 1.00 0.00 C ATOM 273 O LYS A 15 -5.550 -5.515 7.609 1.00 0.00 O ATOM 274 CB LYS A 15 -4.849 -4.428 10.381 1.00 0.00 C ATOM 275 CG LYS A 15 -6.097 -5.331 10.477 1.00 0.00 C ATOM 276 CD LYS A 15 -6.387 -5.718 11.932 1.00 0.00 C ATOM 277 CE LYS A 15 -7.756 -6.396 12.122 1.00 0.00 C ATOM 278 NZ LYS A 15 -7.973 -7.573 11.256 1.00 0.00 N ATOM 0 H LYS A 15 -6.461 -2.929 9.353 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.676 -3.265 9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.971 -5.011 10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.940 -3.624 11.111 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.958 -4.812 10.057 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.945 -6.231 9.881 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.605 -6.390 12.284 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.343 -4.824 12.554 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.856 -6.702 13.163 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.541 -5.665 11.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.694 -8.189 11.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.296 -7.259 10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.082 -8.100 11.157 1.00 0.00 H new ATOM 292 N TRP A 16 -3.359 -5.154 7.340 1.00 0.00 N ATOM 293 CA TRP A 16 -3.155 -6.327 6.497 1.00 0.00 C ATOM 294 C TRP A 16 -3.474 -7.597 7.299 1.00 0.00 C ATOM 295 O TRP A 16 -4.351 -8.368 6.931 1.00 0.00 O ATOM 296 CB TRP A 16 -1.728 -6.334 5.931 1.00 0.00 C ATOM 297 CG TRP A 16 -1.577 -5.820 4.531 1.00 0.00 C ATOM 298 CD1 TRP A 16 -1.390 -4.538 4.146 1.00 0.00 C ATOM 299 CD2 TRP A 16 -1.641 -6.592 3.300 1.00 0.00 C ATOM 300 NE1 TRP A 16 -1.174 -4.494 2.782 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.357 -5.731 2.205 1.00 0.00 C ATOM 302 CE3 TRP A 16 -1.901 -7.941 2.999 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.302 -6.197 0.887 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -2.002 -8.384 1.668 1.00 0.00 C ATOM 305 CH2 TRP A 16 -1.687 -7.516 0.611 1.00 0.00 C ATOM 0 H TRP A 16 -2.535 -4.563 7.447 1.00 0.00 H new ATOM 0 HA TRP A 16 -3.833 -6.295 5.644 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -1.095 -5.737 6.587 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -1.349 -7.355 5.965 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -1.407 -3.681 4.803 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -0.912 -3.653 2.268 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.025 -8.650 3.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -0.967 -5.548 0.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -2.323 -9.394 1.459 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -1.741 -7.863 -0.410 1.00 0.00 H new ATOM 316 N GLY A 17 -2.787 -7.810 8.419 1.00 0.00 N ATOM 317 CA GLY A 17 -3.104 -8.925 9.302 1.00 0.00 C ATOM 318 C GLY A 17 -2.354 -10.204 8.908 1.00 0.00 C ATOM 319 O GLY A 17 -1.885 -10.348 7.776 1.00 0.00 O ATOM 0 H GLY A 17 -2.011 -7.227 8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.850 -8.658 10.328 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.177 -9.113 9.277 1.00 0.00 H new ATOM 323 N PRO A 18 -2.168 -11.130 9.857 1.00 0.00 N ATOM 324 CA PRO A 18 -1.222 -12.231 9.757 1.00 0.00 C ATOM 325 C PRO A 18 -1.611 -13.223 8.674 1.00 0.00 C ATOM 326 O PRO A 18 -0.780 -13.634 7.867 1.00 0.00 O ATOM 327 CB PRO A 18 -1.190 -12.870 11.150 1.00 0.00 C ATOM 328 CG PRO A 18 -2.546 -12.509 11.747 1.00 0.00 C ATOM 329 CD PRO A 18 -2.800 -11.126 11.158 1.00 0.00 C ATOM 0 HA PRO A 18 -0.233 -11.881 9.461 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.053 -13.950 11.092 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.371 -12.477 11.752 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.319 -13.222 11.461 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.519 -12.489 12.836 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.868 -10.927 11.073 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.380 -10.347 11.794 1.00 0.00 H new ATOM 337 N ALA A 19 -2.885 -13.591 8.662 1.00 0.00 N ATOM 338 CA ALA A 19 -3.444 -14.516 7.689 1.00 0.00 C ATOM 339 C ALA A 19 -3.140 -13.972 6.301 1.00 0.00 C ATOM 340 O ALA A 19 -2.495 -14.621 5.489 1.00 0.00 O ATOM 341 CB ALA A 19 -4.947 -14.685 7.923 1.00 0.00 C ATOM 0 H ALA A 19 -3.568 -13.250 9.338 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.998 -15.506 7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.354 -15.380 7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.117 -15.077 8.926 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.442 -13.719 7.822 1.00 0.00 H new ATOM 347 N SER A 20 -3.539 -12.728 6.060 1.00 0.00 N ATOM 348 CA SER A 20 -3.254 -12.041 4.817 1.00 0.00 C ATOM 349 C SER A 20 -1.758 -12.099 4.481 1.00 0.00 C ATOM 350 O SER A 20 -1.370 -12.340 3.340 1.00 0.00 O ATOM 351 CB SER A 20 -3.734 -10.596 4.941 1.00 0.00 C ATOM 352 OG SER A 20 -3.974 -10.097 3.645 1.00 0.00 O ATOM 0 H SER A 20 -4.071 -12.170 6.728 1.00 0.00 H new ATOM 0 HA SER A 20 -3.781 -12.533 3.999 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.643 -10.548 5.541 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.984 -9.989 5.449 1.00 0.00 H new ATOM 0 HG SER A 20 -3.178 -9.624 3.324 1.00 0.00 H new ATOM 358 N GLN A 21 -0.901 -11.854 5.468 1.00 0.00 N ATOM 359 CA GLN A 21 0.534 -11.878 5.245 1.00 0.00 C ATOM 360 C GLN A 21 1.052 -13.277 4.899 1.00 0.00 C ATOM 361 O GLN A 21 2.097 -13.374 4.263 1.00 0.00 O ATOM 362 CB GLN A 21 1.267 -11.224 6.420 1.00 0.00 C ATOM 363 CG GLN A 21 1.049 -9.704 6.338 1.00 0.00 C ATOM 364 CD GLN A 21 1.326 -8.980 7.645 1.00 0.00 C ATOM 365 OE1 GLN A 21 2.160 -8.082 7.708 1.00 0.00 O ATOM 366 NE2 GLN A 21 0.567 -9.332 8.669 1.00 0.00 N ATOM 0 H GLN A 21 -1.178 -11.638 6.426 1.00 0.00 H new ATOM 0 HA GLN A 21 0.752 -11.280 4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.889 -11.611 7.366 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.331 -11.458 6.382 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.694 -9.294 5.561 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.021 -9.508 6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.112 -10.086 8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.661 -8.850 9.563 1.00 0.00 H new ATOM 375 N GLN A 22 0.340 -14.355 5.231 1.00 0.00 N ATOM 376 CA GLN A 22 0.801 -15.685 4.858 1.00 0.00 C ATOM 377 C GLN A 22 0.700 -15.832 3.334 1.00 0.00 C ATOM 378 O GLN A 22 1.583 -16.393 2.689 1.00 0.00 O ATOM 379 CB GLN A 22 0.088 -16.768 5.691 1.00 0.00 C ATOM 380 CG GLN A 22 -1.117 -17.432 5.011 1.00 0.00 C ATOM 381 CD GLN A 22 -1.960 -18.269 5.964 1.00 0.00 C ATOM 382 OE1 GLN A 22 -2.069 -17.958 7.150 1.00 0.00 O ATOM 383 NE2 GLN A 22 -2.604 -19.324 5.476 1.00 0.00 N ATOM 0 H GLN A 22 -0.540 -14.332 5.747 1.00 0.00 H new ATOM 0 HA GLN A 22 1.853 -15.828 5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.812 -17.542 5.946 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.245 -16.322 6.628 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.744 -16.660 4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.763 -18.066 4.198 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.505 -19.571 4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.197 -19.887 6.086 1.00 0.00 H new ATOM 392 N ILE A 23 -0.351 -15.261 2.739 1.00 0.00 N ATOM 393 CA ILE A 23 -0.485 -15.185 1.291 1.00 0.00 C ATOM 394 C ILE A 23 0.697 -14.391 0.721 1.00 0.00 C ATOM 395 O ILE A 23 1.349 -14.821 -0.226 1.00 0.00 O ATOM 396 CB ILE A 23 -1.852 -14.595 0.897 1.00 0.00 C ATOM 397 CG1 ILE A 23 -3.022 -15.572 1.063 1.00 0.00 C ATOM 398 CG2 ILE A 23 -1.890 -14.246 -0.587 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.259 -16.101 2.461 1.00 0.00 C ATOM 0 H ILE A 23 -1.128 -14.841 3.250 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.456 -16.185 0.859 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.960 -13.735 1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.932 -15.076 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.856 -16.421 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.866 -13.831 -0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.116 -13.511 -0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.715 -15.146 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.111 -16.781 2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.372 -16.634 2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.465 -15.269 3.135 1.00 0.00 H new ATOM 411 N LEU A 24 1.000 -13.225 1.289 1.00 0.00 N ATOM 412 CA LEU A 24 2.117 -12.428 0.795 1.00 0.00 C ATOM 413 C LEU A 24 3.426 -13.221 0.846 1.00 0.00 C ATOM 414 O LEU A 24 4.183 -13.232 -0.122 1.00 0.00 O ATOM 415 CB LEU A 24 2.249 -11.139 1.605 1.00 0.00 C ATOM 416 CG LEU A 24 1.161 -10.106 1.274 1.00 0.00 C ATOM 417 CD1 LEU A 24 1.184 -9.045 2.372 1.00 0.00 C ATOM 418 CD2 LEU A 24 1.413 -9.447 -0.087 1.00 0.00 C ATOM 0 H LEU A 24 0.497 -12.818 2.078 1.00 0.00 H new ATOM 0 HA LEU A 24 1.915 -12.173 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.204 -11.378 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.229 -10.699 1.419 1.00 0.00 H new ATOM 0 HG LEU A 24 0.191 -10.600 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.421 -8.293 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.983 -9.514 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.164 -8.569 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.626 -8.721 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.378 -8.941 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.415 -10.210 -0.866 1.00 0.00 H new ATOM 430 N PHE A 25 3.703 -13.869 1.979 1.00 0.00 N ATOM 431 CA PHE A 25 4.912 -14.660 2.161 1.00 0.00 C ATOM 432 C PHE A 25 4.979 -15.750 1.092 1.00 0.00 C ATOM 433 O PHE A 25 5.985 -15.876 0.398 1.00 0.00 O ATOM 434 CB PHE A 25 4.949 -15.288 3.563 1.00 0.00 C ATOM 435 CG PHE A 25 5.453 -14.406 4.697 1.00 0.00 C ATOM 436 CD1 PHE A 25 5.097 -13.045 4.793 1.00 0.00 C ATOM 437 CD2 PHE A 25 6.294 -14.970 5.675 1.00 0.00 C ATOM 438 CE1 PHE A 25 5.545 -12.273 5.879 1.00 0.00 C ATOM 439 CE2 PHE A 25 6.796 -14.180 6.722 1.00 0.00 C ATOM 440 CZ PHE A 25 6.406 -12.836 6.835 1.00 0.00 C ATOM 0 H PHE A 25 3.091 -13.857 2.795 1.00 0.00 H new ATOM 0 HA PHE A 25 5.777 -14.004 2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.941 -15.620 3.813 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.577 -16.178 3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.479 -12.595 4.030 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.555 -16.017 5.620 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.227 -11.246 5.978 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.481 -14.606 7.440 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.768 -12.236 7.657 1.00 0.00 H new ATOM 450 N GLN A 26 3.917 -16.544 0.966 1.00 0.00 N ATOM 451 CA GLN A 26 3.912 -17.680 0.057 1.00 0.00 C ATOM 452 C GLN A 26 4.081 -17.203 -1.393 1.00 0.00 C ATOM 453 O GLN A 26 4.809 -17.803 -2.179 1.00 0.00 O ATOM 454 CB GLN A 26 2.691 -18.571 0.352 1.00 0.00 C ATOM 455 CG GLN A 26 1.399 -18.205 -0.370 1.00 0.00 C ATOM 456 CD GLN A 26 0.189 -18.885 0.267 1.00 0.00 C ATOM 457 OE1 GLN A 26 -0.548 -19.619 -0.380 1.00 0.00 O ATOM 458 NE2 GLN A 26 -0.034 -18.676 1.559 1.00 0.00 N ATOM 0 H GLN A 26 3.048 -16.418 1.485 1.00 0.00 H new ATOM 0 HA GLN A 26 4.772 -18.329 0.219 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.947 -19.599 0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.502 -18.548 1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.263 -17.124 -0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.472 -18.496 -1.418 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.584 -18.063 2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.824 -19.128 2.020 1.00 0.00 H new ATOM 467 N ALA A 27 3.467 -16.076 -1.751 1.00 0.00 N ATOM 468 CA ALA A 27 3.713 -15.453 -3.042 1.00 0.00 C ATOM 469 C ALA A 27 5.195 -15.122 -3.209 1.00 0.00 C ATOM 470 O ALA A 27 5.803 -15.483 -4.217 1.00 0.00 O ATOM 471 CB ALA A 27 2.873 -14.190 -3.163 1.00 0.00 C ATOM 0 H ALA A 27 2.797 -15.580 -1.163 1.00 0.00 H new ATOM 0 HA ALA A 27 3.432 -16.151 -3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.057 -13.722 -4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.817 -14.446 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.143 -13.496 -2.367 1.00 0.00 H new ATOM 477 N TYR A 28 5.781 -14.433 -2.225 1.00 0.00 N ATOM 478 CA TYR A 28 7.200 -14.112 -2.228 1.00 0.00 C ATOM 479 C TYR A 28 8.043 -15.363 -2.475 1.00 0.00 C ATOM 480 O TYR A 28 9.008 -15.326 -3.239 1.00 0.00 O ATOM 481 CB TYR A 28 7.599 -13.455 -0.898 1.00 0.00 C ATOM 482 CG TYR A 28 8.591 -12.326 -1.056 1.00 0.00 C ATOM 483 CD1 TYR A 28 9.936 -12.584 -1.362 1.00 0.00 C ATOM 484 CD2 TYR A 28 8.138 -11.001 -0.964 1.00 0.00 C ATOM 485 CE1 TYR A 28 10.814 -11.516 -1.603 1.00 0.00 C ATOM 486 CE2 TYR A 28 9.024 -9.931 -1.168 1.00 0.00 C ATOM 487 CZ TYR A 28 10.368 -10.193 -1.461 1.00 0.00 C ATOM 488 OH TYR A 28 11.240 -9.181 -1.722 1.00 0.00 O ATOM 0 H TYR A 28 5.280 -14.085 -1.407 1.00 0.00 H new ATOM 0 HA TYR A 28 7.389 -13.409 -3.040 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.703 -13.075 -0.407 1.00 0.00 H new ATOM 0 HB3 TYR A 28 8.025 -14.213 -0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.294 -13.602 -1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.101 -10.803 -0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.834 -11.713 -1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 28 8.671 -8.913 -1.099 1.00 0.00 H new ATOM 0 HH TYR A 28 10.793 -8.320 -1.583 1.00 0.00 H new ATOM 498 N GLU A 29 7.714 -16.453 -1.783 1.00 0.00 N ATOM 499 CA GLU A 29 8.440 -17.708 -1.872 1.00 0.00 C ATOM 500 C GLU A 29 8.343 -18.272 -3.291 1.00 0.00 C ATOM 501 O GLU A 29 9.321 -18.807 -3.821 1.00 0.00 O ATOM 502 CB GLU A 29 7.970 -18.665 -0.757 1.00 0.00 C ATOM 503 CG GLU A 29 7.169 -19.905 -1.177 1.00 0.00 C ATOM 504 CD GLU A 29 6.661 -20.680 0.020 1.00 0.00 C ATOM 505 OE1 GLU A 29 7.207 -20.469 1.126 1.00 0.00 O ATOM 506 OE2 GLU A 29 5.756 -21.517 -0.183 1.00 0.00 O ATOM 0 H GLU A 29 6.925 -16.484 -1.138 1.00 0.00 H new ATOM 0 HA GLU A 29 9.505 -17.555 -1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.851 -19.003 -0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.361 -18.093 -0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.326 -19.600 -1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.797 -20.553 -1.789 1.00 0.00 H new ATOM 513 N ARG A 30 7.166 -18.167 -3.905 1.00 0.00 N ATOM 514 CA ARG A 30 6.901 -18.764 -5.197 1.00 0.00 C ATOM 515 C ARG A 30 7.570 -17.952 -6.309 1.00 0.00 C ATOM 516 O ARG A 30 8.365 -18.494 -7.084 1.00 0.00 O ATOM 517 CB ARG A 30 5.388 -18.917 -5.374 1.00 0.00 C ATOM 518 CG ARG A 30 5.049 -19.881 -6.517 1.00 0.00 C ATOM 519 CD ARG A 30 3.709 -20.557 -6.231 1.00 0.00 C ATOM 520 NE ARG A 30 2.617 -19.579 -6.107 1.00 0.00 N ATOM 521 CZ ARG A 30 1.366 -19.892 -5.749 1.00 0.00 C ATOM 522 NH1 ARG A 30 1.084 -21.105 -5.277 1.00 0.00 N ATOM 523 NH2 ARG A 30 0.414 -18.976 -5.844 1.00 0.00 N ATOM 0 H ARG A 30 6.371 -17.662 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 30 7.337 -19.761 -5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.948 -19.282 -4.446 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.944 -17.942 -5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.001 -19.340 -7.462 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.833 -20.631 -6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.478 -21.259 -7.032 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.784 -21.136 -5.311 1.00 0.00 H new ATOM 0 HE ARG A 30 2.826 -18.601 -6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.824 -21.802 -5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.129 -21.337 -5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.637 -18.042 -6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.543 -19.205 -5.574 1.00 0.00 H new ATOM 537 N GLN A 31 7.263 -16.660 -6.401 1.00 0.00 N ATOM 538 CA GLN A 31 7.803 -15.776 -7.423 1.00 0.00 C ATOM 539 C GLN A 31 7.578 -14.314 -7.021 1.00 0.00 C ATOM 540 O GLN A 31 6.542 -13.738 -7.338 1.00 0.00 O ATOM 541 CB GLN A 31 7.222 -16.114 -8.815 1.00 0.00 C ATOM 542 CG GLN A 31 5.703 -16.331 -8.843 1.00 0.00 C ATOM 543 CD GLN A 31 5.181 -16.642 -10.242 1.00 0.00 C ATOM 544 OE1 GLN A 31 5.574 -17.626 -10.863 1.00 0.00 O ATOM 545 NE2 GLN A 31 4.323 -15.786 -10.794 1.00 0.00 N ATOM 0 H GLN A 31 6.623 -16.194 -5.757 1.00 0.00 H new ATOM 0 HA GLN A 31 8.879 -15.930 -7.500 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.472 -15.307 -9.503 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.710 -17.014 -9.188 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.444 -17.150 -8.172 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.205 -15.439 -8.463 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.004 -14.973 -10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.985 -15.944 -11.743 1.00 0.00 H new ATOM 554 N LYS A 32 8.559 -13.662 -6.385 1.00 0.00 N ATOM 555 CA LYS A 32 8.400 -12.265 -5.964 1.00 0.00 C ATOM 556 C LYS A 32 8.350 -11.257 -7.128 1.00 0.00 C ATOM 557 O LYS A 32 8.339 -10.048 -6.891 1.00 0.00 O ATOM 558 CB LYS A 32 9.394 -11.868 -4.851 1.00 0.00 C ATOM 559 CG LYS A 32 10.785 -11.370 -5.280 1.00 0.00 C ATOM 560 CD LYS A 32 11.704 -12.452 -5.851 1.00 0.00 C ATOM 561 CE LYS A 32 12.260 -13.359 -4.742 1.00 0.00 C ATOM 562 NZ LYS A 32 13.098 -14.439 -5.294 1.00 0.00 N ATOM 0 H LYS A 32 9.462 -14.074 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 32 7.406 -12.209 -5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.929 -11.087 -4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.533 -12.732 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.661 -10.587 -6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.274 -10.914 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.154 -13.054 -6.574 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.529 -11.984 -6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.847 -12.763 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.434 -13.791 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.456 -15.031 -4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.530 -15.022 -5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.899 -14.026 -5.813 1.00 0.00 H new ATOM 576 N ASN A 33 8.320 -11.724 -8.378 1.00 0.00 N ATOM 577 CA ASN A 33 7.938 -10.938 -9.546 1.00 0.00 C ATOM 578 C ASN A 33 6.420 -11.072 -9.709 1.00 0.00 C ATOM 579 O ASN A 33 5.948 -12.121 -10.147 1.00 0.00 O ATOM 580 CB ASN A 33 8.694 -11.384 -10.812 1.00 0.00 C ATOM 581 CG ASN A 33 8.636 -12.884 -11.103 1.00 0.00 C ATOM 582 OD1 ASN A 33 7.927 -13.343 -11.994 1.00 0.00 O ATOM 583 ND2 ASN A 33 9.433 -13.667 -10.389 1.00 0.00 N ATOM 0 H ASN A 33 8.568 -12.686 -8.609 1.00 0.00 H new ATOM 0 HA ASN A 33 8.210 -9.892 -9.400 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.287 -10.847 -11.669 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.739 -11.087 -10.717 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.464 -14.669 -10.576 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.015 -13.267 -9.653 1.00 0.00 H new ATOM 590 N PRO A 34 5.629 -10.051 -9.335 1.00 0.00 N ATOM 591 CA PRO A 34 4.181 -10.154 -9.273 1.00 0.00 C ATOM 592 C PRO A 34 3.612 -10.022 -10.685 1.00 0.00 C ATOM 593 O PRO A 34 3.097 -8.969 -11.056 1.00 0.00 O ATOM 594 CB PRO A 34 3.760 -8.996 -8.361 1.00 0.00 C ATOM 595 CG PRO A 34 4.783 -7.909 -8.685 1.00 0.00 C ATOM 596 CD PRO A 34 6.054 -8.738 -8.867 1.00 0.00 C ATOM 0 HA PRO A 34 3.817 -11.105 -8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.742 -8.667 -8.571 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.793 -9.279 -7.309 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.522 -7.354 -9.586 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.879 -7.181 -7.879 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.724 -8.268 -9.587 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.602 -8.820 -7.928 1.00 0.00 H new ATOM 604 N SER A 35 3.739 -11.061 -11.503 1.00 0.00 N ATOM 605 CA SER A 35 3.422 -10.972 -12.918 1.00 0.00 C ATOM 606 C SER A 35 1.946 -10.635 -13.156 1.00 0.00 C ATOM 607 O SER A 35 1.640 -9.528 -13.601 1.00 0.00 O ATOM 608 CB SER A 35 3.889 -12.257 -13.596 1.00 0.00 C ATOM 609 OG SER A 35 5.292 -12.335 -13.419 1.00 0.00 O ATOM 0 H SER A 35 4.062 -11.981 -11.204 1.00 0.00 H new ATOM 0 HA SER A 35 3.957 -10.139 -13.374 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.397 -13.125 -13.157 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.634 -12.248 -14.656 1.00 0.00 H new ATOM 0 HG SER A 35 5.630 -13.152 -13.842 1.00 0.00 H new ATOM 615 N LYS A 36 1.031 -11.553 -12.852 1.00 0.00 N ATOM 616 CA LYS A 36 -0.392 -11.362 -13.103 1.00 0.00 C ATOM 617 C LYS A 36 -1.183 -12.308 -12.206 1.00 0.00 C ATOM 618 O LYS A 36 -1.818 -11.868 -11.251 1.00 0.00 O ATOM 619 CB LYS A 36 -0.680 -11.607 -14.592 1.00 0.00 C ATOM 620 CG LYS A 36 -2.169 -11.448 -14.952 1.00 0.00 C ATOM 621 CD LYS A 36 -2.684 -12.690 -15.690 1.00 0.00 C ATOM 622 CE LYS A 36 -2.065 -12.786 -17.093 1.00 0.00 C ATOM 623 NZ LYS A 36 -2.007 -14.175 -17.592 1.00 0.00 N ATOM 0 H LYS A 36 1.258 -12.451 -12.424 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.695 -10.341 -12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.091 -10.911 -15.189 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.353 -12.612 -14.859 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.753 -11.290 -14.045 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.305 -10.565 -15.577 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.441 -13.585 -15.118 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.770 -12.647 -15.769 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.647 -12.179 -17.786 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.058 -12.369 -17.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.582 -14.185 -18.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.429 -14.752 -16.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.969 -14.567 -17.639 1.00 0.00 H new ATOM 637 N GLU A 37 -1.119 -13.612 -12.504 1.00 0.00 N ATOM 638 CA GLU A 37 -1.797 -14.627 -11.710 1.00 0.00 C ATOM 639 C GLU A 37 -1.403 -14.433 -10.252 1.00 0.00 C ATOM 640 O GLU A 37 -2.267 -14.361 -9.384 1.00 0.00 O ATOM 641 CB GLU A 37 -1.419 -16.032 -12.192 1.00 0.00 C ATOM 642 CG GLU A 37 -2.329 -17.092 -11.557 1.00 0.00 C ATOM 643 CD GLU A 37 -1.753 -18.480 -11.717 1.00 0.00 C ATOM 644 OE1 GLU A 37 -0.858 -18.838 -10.921 1.00 0.00 O ATOM 645 OE2 GLU A 37 -2.157 -19.159 -12.679 1.00 0.00 O ATOM 0 H GLU A 37 -0.598 -13.984 -13.298 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.877 -14.524 -11.819 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.499 -16.082 -13.278 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.380 -16.240 -11.939 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.463 -16.872 -10.498 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.316 -17.050 -12.018 1.00 0.00 H new ATOM 652 N GLU A 38 -0.097 -14.263 -10.024 1.00 0.00 N ATOM 653 CA GLU A 38 0.532 -13.998 -8.744 1.00 0.00 C ATOM 654 C GLU A 38 0.295 -12.537 -8.346 1.00 0.00 C ATOM 655 O GLU A 38 1.222 -11.772 -8.082 1.00 0.00 O ATOM 656 CB GLU A 38 2.021 -14.367 -8.822 1.00 0.00 C ATOM 657 CG GLU A 38 2.522 -14.933 -7.482 1.00 0.00 C ATOM 658 CD GLU A 38 2.278 -16.424 -7.327 1.00 0.00 C ATOM 659 OE1 GLU A 38 2.321 -17.150 -8.342 1.00 0.00 O ATOM 660 OE2 GLU A 38 2.015 -16.866 -6.191 1.00 0.00 O ATOM 0 H GLU A 38 0.584 -14.311 -10.782 1.00 0.00 H new ATOM 0 HA GLU A 38 0.089 -14.614 -7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.176 -15.102 -9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.604 -13.485 -9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.590 -14.736 -7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.029 -14.405 -6.666 1.00 0.00 H new ATOM 667 N ARG A 39 -0.979 -12.194 -8.264 1.00 0.00 N ATOM 668 CA ARG A 39 -1.568 -11.003 -7.696 1.00 0.00 C ATOM 669 C ARG A 39 -3.036 -11.321 -7.494 1.00 0.00 C ATOM 670 O ARG A 39 -3.531 -11.279 -6.375 1.00 0.00 O ATOM 671 CB ARG A 39 -1.538 -9.775 -8.605 1.00 0.00 C ATOM 672 CG ARG A 39 -0.160 -9.244 -8.939 1.00 0.00 C ATOM 673 CD ARG A 39 -0.378 -7.941 -9.706 1.00 0.00 C ATOM 674 NE ARG A 39 0.804 -7.667 -10.502 1.00 0.00 N ATOM 675 CZ ARG A 39 0.859 -6.827 -11.543 1.00 0.00 C ATOM 676 NH1 ARG A 39 -0.104 -5.925 -11.738 1.00 0.00 N ATOM 677 NH2 ARG A 39 1.897 -6.916 -12.371 1.00 0.00 N ATOM 0 H ARG A 39 -1.700 -12.813 -8.635 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.999 -10.761 -6.798 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.049 -10.021 -9.536 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.110 -8.978 -8.129 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.420 -9.070 -8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.398 -9.961 -9.541 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.255 -8.022 -10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.565 -7.121 -9.013 1.00 0.00 H new ATOM 0 HE ARG A 39 1.663 -8.154 -10.248 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.891 -5.871 -11.091 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.054 -5.289 -12.534 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.624 -7.611 -12.204 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.965 -6.289 -13.173 1.00 0.00 H new ATOM 691 N GLU A 40 -3.720 -11.676 -8.579 1.00 0.00 N ATOM 692 CA GLU A 40 -5.132 -12.012 -8.548 1.00 0.00 C ATOM 693 C GLU A 40 -5.334 -13.129 -7.519 1.00 0.00 C ATOM 694 O GLU A 40 -6.211 -13.051 -6.660 1.00 0.00 O ATOM 695 CB GLU A 40 -5.562 -12.428 -9.952 1.00 0.00 C ATOM 696 CG GLU A 40 -6.545 -11.414 -10.547 1.00 0.00 C ATOM 697 CD GLU A 40 -5.848 -10.088 -10.804 1.00 0.00 C ATOM 698 OE1 GLU A 40 -4.730 -10.088 -11.363 1.00 0.00 O ATOM 699 OE2 GLU A 40 -6.420 -9.034 -10.462 1.00 0.00 O ATOM 0 H GLU A 40 -3.303 -11.737 -9.508 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.748 -11.163 -8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.686 -12.511 -10.595 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.027 -13.413 -9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.958 -11.802 -11.478 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.382 -11.266 -9.865 1.00 0.00 H new ATOM 706 N THR A 41 -4.439 -14.118 -7.579 1.00 0.00 N ATOM 707 CA THR A 41 -4.249 -15.135 -6.567 1.00 0.00 C ATOM 708 C THR A 41 -4.268 -14.509 -5.187 1.00 0.00 C ATOM 709 O THR A 41 -5.059 -14.897 -4.336 1.00 0.00 O ATOM 710 CB THR A 41 -2.898 -15.815 -6.815 1.00 0.00 C ATOM 711 OG1 THR A 41 -3.016 -16.739 -7.882 1.00 0.00 O ATOM 712 CG2 THR A 41 -2.291 -16.469 -5.577 1.00 0.00 C ATOM 0 H THR A 41 -3.805 -14.228 -8.371 1.00 0.00 H new ATOM 0 HA THR A 41 -5.054 -15.868 -6.621 1.00 0.00 H new ATOM 0 HB THR A 41 -2.196 -15.026 -7.087 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.150 -17.170 -8.039 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.337 -16.927 -5.838 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.132 -15.714 -4.807 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.970 -17.234 -5.200 1.00 0.00 H new ATOM 720 N LEU A 42 -3.378 -13.556 -4.943 1.00 0.00 N ATOM 721 CA LEU A 42 -3.167 -13.053 -3.619 1.00 0.00 C ATOM 722 C LEU A 42 -4.434 -12.378 -3.118 1.00 0.00 C ATOM 723 O LEU A 42 -4.775 -12.510 -1.944 1.00 0.00 O ATOM 724 CB LEU A 42 -1.987 -12.086 -3.600 1.00 0.00 C ATOM 725 CG LEU A 42 -0.621 -12.779 -3.608 1.00 0.00 C ATOM 726 CD1 LEU A 42 -0.115 -13.075 -5.018 1.00 0.00 C ATOM 727 CD2 LEU A 42 0.349 -11.831 -2.905 1.00 0.00 C ATOM 0 H LEU A 42 -2.794 -13.123 -5.658 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.930 -13.883 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.055 -11.427 -4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.059 -11.456 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.703 -13.743 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.856 -13.566 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.822 -13.729 -5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.017 -12.142 -5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.343 -12.278 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.389 -10.885 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.008 -11.653 -1.885 1.00 0.00 H new ATOM 739 N VAL A 43 -5.120 -11.627 -3.976 1.00 0.00 N ATOM 740 CA VAL A 43 -6.326 -10.948 -3.544 1.00 0.00 C ATOM 741 C VAL A 43 -7.418 -11.980 -3.232 1.00 0.00 C ATOM 742 O VAL A 43 -8.026 -11.892 -2.172 1.00 0.00 O ATOM 743 CB VAL A 43 -6.779 -9.864 -4.535 1.00 0.00 C ATOM 744 CG1 VAL A 43 -7.740 -8.928 -3.793 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.643 -8.969 -5.034 1.00 0.00 C ATOM 0 H VAL A 43 -4.865 -11.478 -4.952 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.109 -10.406 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.215 -10.385 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.081 -8.145 -4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.598 -9.497 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.225 -8.476 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.041 -8.229 -5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.182 -8.460 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.896 -9.579 -5.542 1.00 0.00 H new ATOM 755 N GLU A 44 -7.659 -12.954 -4.119 1.00 0.00 N ATOM 756 CA GLU A 44 -8.604 -14.046 -3.874 1.00 0.00 C ATOM 757 C GLU A 44 -8.264 -14.731 -2.554 1.00 0.00 C ATOM 758 O GLU A 44 -9.071 -14.765 -1.634 1.00 0.00 O ATOM 759 CB GLU A 44 -8.568 -15.036 -5.056 1.00 0.00 C ATOM 760 CG GLU A 44 -9.026 -16.490 -4.791 1.00 0.00 C ATOM 761 CD GLU A 44 -10.420 -16.669 -4.226 1.00 0.00 C ATOM 762 OE1 GLU A 44 -11.202 -15.698 -4.235 1.00 0.00 O ATOM 763 OE2 GLU A 44 -10.749 -17.811 -3.834 1.00 0.00 O ATOM 0 H GLU A 44 -7.201 -13.005 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.618 -13.653 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.190 -14.629 -5.853 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.546 -15.070 -5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.965 -17.043 -5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.317 -16.950 -4.102 1.00 0.00 H new ATOM 770 N GLU A 45 -7.066 -15.294 -2.475 1.00 0.00 N ATOM 771 CA GLU A 45 -6.620 -16.113 -1.369 1.00 0.00 C ATOM 772 C GLU A 45 -6.720 -15.323 -0.065 1.00 0.00 C ATOM 773 O GLU A 45 -7.187 -15.826 0.957 1.00 0.00 O ATOM 774 CB GLU A 45 -5.205 -16.615 -1.692 1.00 0.00 C ATOM 775 CG GLU A 45 -4.812 -17.894 -0.947 1.00 0.00 C ATOM 776 CD GLU A 45 -5.802 -19.025 -1.126 1.00 0.00 C ATOM 777 OE1 GLU A 45 -6.272 -19.251 -2.263 1.00 0.00 O ATOM 778 OE2 GLU A 45 -6.086 -19.688 -0.102 1.00 0.00 O ATOM 0 H GLU A 45 -6.360 -15.187 -3.204 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.254 -16.988 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.130 -16.794 -2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.488 -15.831 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.832 -18.221 -1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.715 -17.671 0.116 1.00 0.00 H new ATOM 785 N CYS A 46 -6.313 -14.060 -0.109 1.00 0.00 N ATOM 786 CA CYS A 46 -6.463 -13.168 1.033 1.00 0.00 C ATOM 787 C CYS A 46 -7.946 -13.009 1.396 1.00 0.00 C ATOM 788 O CYS A 46 -8.352 -13.374 2.495 1.00 0.00 O ATOM 789 CB CYS A 46 -5.905 -11.790 0.698 1.00 0.00 C ATOM 790 SG CYS A 46 -6.378 -10.633 2.004 1.00 0.00 S ATOM 0 H CYS A 46 -5.876 -13.631 -0.925 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.919 -13.601 1.873 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.820 -11.834 0.609 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.290 -11.451 -0.264 1.00 0.00 H new ATOM 0 HG CYS A 46 -5.459 -10.617 2.923 1.00 0.00 H new ATOM 796 N ASN A 47 -8.748 -12.464 0.470 1.00 0.00 N ATOM 797 CA ASN A 47 -10.189 -12.243 0.613 1.00 0.00 C ATOM 798 C ASN A 47 -10.833 -13.445 1.278 1.00 0.00 C ATOM 799 O ASN A 47 -11.514 -13.319 2.285 1.00 0.00 O ATOM 800 CB ASN A 47 -10.882 -12.065 -0.754 1.00 0.00 C ATOM 801 CG ASN A 47 -10.952 -10.638 -1.266 1.00 0.00 C ATOM 802 OD1 ASN A 47 -10.556 -10.355 -2.390 1.00 0.00 O ATOM 803 ND2 ASN A 47 -11.523 -9.710 -0.512 1.00 0.00 N ATOM 0 H ASN A 47 -8.393 -12.154 -0.435 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.309 -11.338 1.209 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.356 -12.672 -1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.896 -12.458 -0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.633 -8.760 -0.868 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.853 -9.945 0.424 1.00 0.00 H new ATOM 810 N ARG A 48 -10.627 -14.607 0.675 1.00 0.00 N ATOM 811 CA ARG A 48 -11.066 -15.914 1.115 1.00 0.00 C ATOM 812 C ARG A 48 -10.705 -16.119 2.582 1.00 0.00 C ATOM 813 O ARG A 48 -11.573 -16.398 3.409 1.00 0.00 O ATOM 814 CB ARG A 48 -10.381 -16.919 0.199 1.00 0.00 C ATOM 815 CG ARG A 48 -10.869 -18.339 0.427 1.00 0.00 C ATOM 816 CD ARG A 48 -10.186 -19.224 -0.612 1.00 0.00 C ATOM 817 NE ARG A 48 -10.950 -20.456 -0.760 1.00 0.00 N ATOM 818 CZ ARG A 48 -11.434 -20.991 -1.887 1.00 0.00 C ATOM 819 NH1 ARG A 48 -11.316 -20.371 -3.059 1.00 0.00 N ATOM 820 NH2 ARG A 48 -12.052 -22.163 -1.814 1.00 0.00 N ATOM 0 H ARG A 48 -10.108 -14.659 -0.202 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.148 -16.033 1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.559 -16.639 -0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.304 -16.878 0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.625 -18.672 1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.953 -18.394 0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.123 -18.703 -1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.165 -19.449 -0.303 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.139 -20.973 0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.848 -19.466 -3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.694 -20.801 -3.904 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.149 -22.633 -0.914 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.430 -22.593 -2.658 1.00 0.00 H new ATOM 834 N ALA A 49 -9.427 -15.955 2.916 1.00 0.00 N ATOM 835 CA ALA A 49 -8.978 -16.094 4.290 1.00 0.00 C ATOM 836 C ALA A 49 -9.748 -15.159 5.211 1.00 0.00 C ATOM 837 O ALA A 49 -10.256 -15.595 6.243 1.00 0.00 O ATOM 838 CB ALA A 49 -7.464 -15.909 4.412 1.00 0.00 C ATOM 0 H ALA A 49 -8.688 -15.726 2.251 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.192 -17.114 4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.167 -16.020 5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.956 -16.660 3.808 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.190 -14.914 4.061 1.00 0.00 H new ATOM 844 N GLU A 50 -9.876 -13.890 4.853 1.00 0.00 N ATOM 845 CA GLU A 50 -10.617 -12.936 5.657 1.00 0.00 C ATOM 846 C GLU A 50 -12.101 -13.340 5.734 1.00 0.00 C ATOM 847 O GLU A 50 -12.768 -13.136 6.748 1.00 0.00 O ATOM 848 CB GLU A 50 -10.430 -11.555 5.048 1.00 0.00 C ATOM 849 CG GLU A 50 -8.985 -11.030 5.106 1.00 0.00 C ATOM 850 CD GLU A 50 -8.598 -10.373 6.422 1.00 0.00 C ATOM 851 OE1 GLU A 50 -9.385 -10.405 7.396 1.00 0.00 O ATOM 852 OE2 GLU A 50 -7.485 -9.808 6.468 1.00 0.00 O ATOM 0 H GLU A 50 -9.472 -13.497 4.003 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.243 -12.923 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.753 -11.582 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.081 -10.851 5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.304 -11.860 4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.842 -10.310 4.301 1.00 0.00 H new ATOM 859 N CYS A 51 -12.627 -13.946 4.672 1.00 0.00 N ATOM 860 CA CYS A 51 -13.976 -14.496 4.638 1.00 0.00 C ATOM 861 C CYS A 51 -14.122 -15.620 5.657 1.00 0.00 C ATOM 862 O CYS A 51 -15.187 -15.776 6.250 1.00 0.00 O ATOM 863 CB CYS A 51 -14.412 -14.902 3.222 1.00 0.00 C ATOM 864 SG CYS A 51 -14.748 -16.675 3.065 1.00 0.00 S ATOM 0 H CYS A 51 -12.117 -14.070 3.797 1.00 0.00 H new ATOM 0 HA CYS A 51 -14.668 -13.705 4.929 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -15.307 -14.343 2.949 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.633 -14.622 2.514 1.00 0.00 H new ATOM 0 HG CYS A 51 -13.633 -17.337 3.153 1.00 0.00 H new ATOM 870 N ILE A 52 -13.061 -16.383 5.915 1.00 0.00 N ATOM 871 CA ILE A 52 -13.051 -17.296 7.046 1.00 0.00 C ATOM 872 C ILE A 52 -13.062 -16.459 8.329 1.00 0.00 C ATOM 873 O ILE A 52 -13.939 -16.641 9.171 1.00 0.00 O ATOM 874 CB ILE A 52 -11.888 -18.304 6.936 1.00 0.00 C ATOM 875 CG1 ILE A 52 -12.129 -19.205 5.711 1.00 0.00 C ATOM 876 CG2 ILE A 52 -11.747 -19.145 8.211 1.00 0.00 C ATOM 877 CD1 ILE A 52 -10.930 -20.096 5.380 1.00 0.00 C ATOM 0 H ILE A 52 -12.206 -16.384 5.359 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.942 -17.924 7.060 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.954 -17.756 6.814 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -13.001 -19.832 5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -12.361 -18.581 4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.918 -19.843 8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.554 -18.489 9.060 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -12.668 -19.701 8.384 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.161 -20.707 4.508 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.061 -19.473 5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.712 -20.743 6.229 1.00 0.00 H new ATOM 889 N GLN A 53 -12.124 -15.516 8.466 1.00 0.00 N ATOM 890 CA GLN A 53 -11.949 -14.716 9.679 1.00 0.00 C ATOM 891 C GLN A 53 -13.250 -14.098 10.186 1.00 0.00 C ATOM 892 O GLN A 53 -13.529 -14.123 11.386 1.00 0.00 O ATOM 893 CB GLN A 53 -10.904 -13.611 9.470 1.00 0.00 C ATOM 894 CG GLN A 53 -9.530 -14.238 9.205 1.00 0.00 C ATOM 895 CD GLN A 53 -8.347 -13.357 9.567 1.00 0.00 C ATOM 896 OE1 GLN A 53 -7.401 -13.822 10.199 1.00 0.00 O ATOM 897 NE2 GLN A 53 -8.364 -12.092 9.187 1.00 0.00 N ATOM 0 H GLN A 53 -11.458 -15.285 7.728 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.599 -15.412 10.441 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.193 -12.979 8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.858 -12.970 10.351 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.457 -15.169 9.767 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.462 -14.497 8.148 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.160 -11.727 8.663 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.581 -11.480 9.417 1.00 0.00 H new ATOM 906 N ARG A 54 -14.020 -13.494 9.287 1.00 0.00 N ATOM 907 CA ARG A 54 -15.264 -12.818 9.621 1.00 0.00 C ATOM 908 C ARG A 54 -16.466 -13.633 9.136 1.00 0.00 C ATOM 909 O ARG A 54 -17.543 -13.069 8.959 1.00 0.00 O ATOM 910 CB ARG A 54 -15.231 -11.423 8.989 1.00 0.00 C ATOM 911 CG ARG A 54 -14.250 -10.485 9.710 1.00 0.00 C ATOM 912 CD ARG A 54 -13.956 -9.248 8.850 1.00 0.00 C ATOM 913 NE ARG A 54 -15.171 -8.767 8.173 1.00 0.00 N ATOM 914 CZ ARG A 54 -15.929 -7.700 8.495 1.00 0.00 C ATOM 915 NH1 ARG A 54 -15.641 -6.949 9.558 1.00 0.00 N ATOM 916 NH2 ARG A 54 -16.969 -7.365 7.733 1.00 0.00 N ATOM 0 H ARG A 54 -13.793 -13.461 8.293 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.367 -12.721 10.702 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.947 -11.507 7.940 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -16.231 -10.990 9.015 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.670 -10.178 10.668 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.322 -11.015 9.924 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.548 -8.455 9.477 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.195 -9.491 8.108 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.476 -9.306 7.363 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.837 -7.178 10.142 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.225 -6.145 9.788 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.193 -7.916 6.904 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.542 -6.557 7.978 1.00 0.00 H new ATOM 930 N GLY A 55 -16.295 -14.938 8.901 1.00 0.00 N ATOM 931 CA GLY A 55 -17.340 -15.839 8.428 1.00 0.00 C ATOM 932 C GLY A 55 -18.207 -15.223 7.329 1.00 0.00 C ATOM 933 O GLY A 55 -19.427 -15.393 7.324 1.00 0.00 O ATOM 0 H GLY A 55 -15.399 -15.405 9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.881 -16.753 8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.975 -16.123 9.267 1.00 0.00 H new ATOM 937 N VAL A 56 -17.604 -14.497 6.389 1.00 0.00 N ATOM 938 CA VAL A 56 -18.340 -13.918 5.280 1.00 0.00 C ATOM 939 C VAL A 56 -18.615 -15.008 4.259 1.00 0.00 C ATOM 940 O VAL A 56 -17.937 -16.033 4.206 1.00 0.00 O ATOM 941 CB VAL A 56 -17.634 -12.686 4.685 1.00 0.00 C ATOM 942 CG1 VAL A 56 -18.489 -11.961 3.634 1.00 0.00 C ATOM 943 CG2 VAL A 56 -17.397 -11.674 5.797 1.00 0.00 C ATOM 0 H VAL A 56 -16.604 -14.298 6.379 1.00 0.00 H new ATOM 0 HA VAL A 56 -19.295 -13.533 5.639 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.715 -13.046 4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -17.941 -11.101 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -18.715 -12.644 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -19.419 -11.623 4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.897 -10.796 5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -18.353 -11.379 6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -16.771 -12.122 6.569 1.00 0.00 H new ATOM 953 N SER A 57 -19.652 -14.784 3.473 1.00 0.00 N ATOM 954 CA SER A 57 -19.930 -15.514 2.259 1.00 0.00 C ATOM 955 C SER A 57 -18.676 -15.399 1.383 1.00 0.00 C ATOM 956 O SER A 57 -18.354 -14.265 1.038 1.00 0.00 O ATOM 957 CB SER A 57 -21.100 -14.799 1.573 1.00 0.00 C ATOM 958 OG SER A 57 -22.247 -15.620 1.565 1.00 0.00 O ATOM 0 H SER A 57 -20.345 -14.063 3.673 1.00 0.00 H new ATOM 0 HA SER A 57 -20.177 -16.561 2.436 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.318 -13.866 2.092 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.825 -14.539 0.551 1.00 0.00 H new ATOM 0 HG SER A 57 -22.984 -15.148 1.125 1.00 0.00 H new ATOM 964 N PRO A 58 -17.969 -16.469 0.991 1.00 0.00 N ATOM 965 CA PRO A 58 -16.905 -16.365 0.006 1.00 0.00 C ATOM 966 C PRO A 58 -17.328 -15.558 -1.223 1.00 0.00 C ATOM 967 O PRO A 58 -16.581 -14.704 -1.701 1.00 0.00 O ATOM 968 CB PRO A 58 -16.471 -17.797 -0.319 1.00 0.00 C ATOM 969 CG PRO A 58 -17.588 -18.675 0.245 1.00 0.00 C ATOM 970 CD PRO A 58 -18.104 -17.846 1.419 1.00 0.00 C ATOM 0 HA PRO A 58 -16.058 -15.805 0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -16.356 -17.942 -1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -15.511 -18.034 0.139 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.368 -18.862 -0.493 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -17.215 -19.647 0.568 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.142 -18.089 1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -17.525 -18.037 2.322 1.00 0.00 H new ATOM 978 N SER A 59 -18.557 -15.761 -1.698 1.00 0.00 N ATOM 979 CA SER A 59 -19.079 -14.989 -2.819 1.00 0.00 C ATOM 980 C SER A 59 -18.994 -13.483 -2.567 1.00 0.00 C ATOM 981 O SER A 59 -18.756 -12.705 -3.491 1.00 0.00 O ATOM 982 CB SER A 59 -20.507 -15.425 -3.159 1.00 0.00 C ATOM 983 OG SER A 59 -21.368 -15.412 -2.026 1.00 0.00 O ATOM 0 H SER A 59 -19.206 -16.453 -1.323 1.00 0.00 H new ATOM 0 HA SER A 59 -18.449 -15.196 -3.684 1.00 0.00 H new ATOM 0 HB2 SER A 59 -20.912 -14.764 -3.926 1.00 0.00 H new ATOM 0 HB3 SER A 59 -20.485 -16.429 -3.583 1.00 0.00 H new ATOM 0 HG SER A 59 -22.267 -15.696 -2.295 1.00 0.00 H new ATOM 989 N GLN A 60 -19.161 -13.070 -1.312 1.00 0.00 N ATOM 990 CA GLN A 60 -19.079 -11.694 -0.867 1.00 0.00 C ATOM 991 C GLN A 60 -17.828 -11.450 -0.022 1.00 0.00 C ATOM 992 O GLN A 60 -17.832 -10.543 0.810 1.00 0.00 O ATOM 993 CB GLN A 60 -20.361 -11.342 -0.094 1.00 0.00 C ATOM 994 CG GLN A 60 -21.598 -11.401 -1.002 1.00 0.00 C ATOM 995 CD GLN A 60 -22.796 -10.695 -0.372 1.00 0.00 C ATOM 996 OE1 GLN A 60 -22.664 -9.604 0.179 1.00 0.00 O ATOM 997 NE2 GLN A 60 -23.979 -11.280 -0.445 1.00 0.00 N ATOM 0 H GLN A 60 -19.365 -13.718 -0.551 1.00 0.00 H new ATOM 0 HA GLN A 60 -18.995 -11.042 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -20.486 -12.033 0.739 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -20.268 -10.343 0.332 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -21.367 -10.939 -1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -21.853 -12.442 -1.202 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -24.073 -12.185 -0.905 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -24.798 -10.826 -0.041 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.745 -12.190 -0.253 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.487 -11.963 0.448 1.00 0.00 C ATOM 1008 C ALA A 61 -14.877 -10.601 0.120 1.00 0.00 C ATOM 1009 O ALA A 61 -13.940 -10.182 0.790 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.479 -13.076 0.176 1.00 0.00 C ATOM 0 H ALA A 61 -16.716 -12.956 -0.925 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.727 -11.971 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.555 -12.870 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.890 -14.029 0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.271 -13.125 -0.893 1.00 0.00 H new ATOM 1016 N GLN A 62 -15.394 -9.877 -0.871 1.00 0.00 N ATOM 1017 CA GLN A 62 -15.050 -8.476 -1.075 1.00 0.00 C ATOM 1018 C GLN A 62 -15.792 -7.534 -0.104 1.00 0.00 C ATOM 1019 O GLN A 62 -15.676 -6.313 -0.225 1.00 0.00 O ATOM 1020 CB GLN A 62 -15.275 -8.099 -2.545 1.00 0.00 C ATOM 1021 CG GLN A 62 -14.160 -8.601 -3.482 1.00 0.00 C ATOM 1022 CD GLN A 62 -13.026 -7.584 -3.624 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -13.247 -6.463 -4.085 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -11.811 -7.932 -3.221 1.00 0.00 N ATOM 0 H GLN A 62 -16.060 -10.245 -1.551 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.993 -8.347 -0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -16.229 -8.509 -2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -15.348 -7.015 -2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.759 -9.539 -3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.581 -8.813 -4.465 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.647 -8.865 -2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.041 -7.267 -3.290 1.00 0.00 H new ATOM 1033 N GLY A 63 -16.538 -8.061 0.871 1.00 0.00 N ATOM 1034 CA GLY A 63 -17.376 -7.295 1.785 1.00 0.00 C ATOM 1035 C GLY A 63 -16.892 -7.465 3.218 1.00 0.00 C ATOM 1036 O GLY A 63 -17.668 -7.797 4.116 1.00 0.00 O ATOM 0 H GLY A 63 -16.573 -9.065 1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.355 -6.240 1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.411 -7.625 1.703 1.00 0.00 H new ATOM 1040 N LEU A 64 -15.600 -7.228 3.441 1.00 0.00 N ATOM 1041 CA LEU A 64 -14.943 -7.410 4.735 1.00 0.00 C ATOM 1042 C LEU A 64 -14.819 -6.077 5.473 1.00 0.00 C ATOM 1043 O LEU A 64 -13.956 -5.928 6.341 1.00 0.00 O ATOM 1044 CB LEU A 64 -13.556 -8.013 4.504 1.00 0.00 C ATOM 1045 CG LEU A 64 -13.587 -9.308 3.684 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -12.215 -9.515 3.039 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -13.983 -10.521 4.516 1.00 0.00 C ATOM 0 H LEU A 64 -14.968 -6.897 2.712 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.543 -8.081 5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.930 -7.282 3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.089 -8.213 5.468 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.353 -9.207 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.224 -10.434 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.988 -8.671 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.455 -9.588 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.988 -11.409 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.266 -10.656 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.978 -10.367 4.934 1.00 0.00 H new ATOM 1059 N GLY A 65 -15.689 -5.126 5.140 1.00 0.00 N ATOM 1060 CA GLY A 65 -15.670 -3.761 5.614 1.00 0.00 C ATOM 1061 C GLY A 65 -14.285 -3.140 5.533 1.00 0.00 C ATOM 1062 O GLY A 65 -13.909 -2.605 4.486 1.00 0.00 O ATOM 0 H GLY A 65 -16.462 -5.305 4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.368 -3.165 5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.018 -3.733 6.646 1.00 0.00 H new ATOM 1066 N SER A 66 -13.536 -3.180 6.631 1.00 0.00 N ATOM 1067 CA SER A 66 -12.232 -2.558 6.683 1.00 0.00 C ATOM 1068 C SER A 66 -11.168 -3.513 6.172 1.00 0.00 C ATOM 1069 O SER A 66 -10.263 -3.087 5.459 1.00 0.00 O ATOM 1070 CB SER A 66 -11.885 -2.055 8.080 1.00 0.00 C ATOM 1071 OG SER A 66 -10.623 -1.412 8.014 1.00 0.00 O ATOM 0 H SER A 66 -13.818 -3.641 7.496 1.00 0.00 H new ATOM 0 HA SER A 66 -12.264 -1.684 6.032 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.647 -1.362 8.436 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.854 -2.884 8.787 1.00 0.00 H new ATOM 0 HG SER A 66 -10.099 -1.637 8.811 1.00 0.00 H new ATOM 1077 N ASN A 67 -11.283 -4.804 6.483 1.00 0.00 N ATOM 1078 CA ASN A 67 -10.240 -5.780 6.158 1.00 0.00 C ATOM 1079 C ASN A 67 -10.299 -6.157 4.683 1.00 0.00 C ATOM 1080 O ASN A 67 -9.817 -7.217 4.293 1.00 0.00 O ATOM 1081 CB ASN A 67 -10.359 -7.043 7.026 1.00 0.00 C ATOM 1082 CG ASN A 67 -10.399 -6.711 8.505 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -9.370 -6.582 9.167 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -11.590 -6.485 9.045 1.00 0.00 N ATOM 0 H ASN A 67 -12.092 -5.201 6.962 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.278 -5.312 6.369 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.262 -7.588 6.752 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.515 -7.703 6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.661 -6.200 10.022 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.434 -6.596 8.483 1.00 0.00 H new ATOM 1091 N LEU A 68 -10.947 -5.335 3.854 1.00 0.00 N ATOM 1092 CA LEU A 68 -11.027 -5.608 2.447 1.00 0.00 C ATOM 1093 C LEU A 68 -9.700 -5.272 1.816 1.00 0.00 C ATOM 1094 O LEU A 68 -9.357 -4.095 1.683 1.00 0.00 O ATOM 1095 CB LEU A 68 -12.133 -4.801 1.787 1.00 0.00 C ATOM 1096 CG LEU A 68 -12.109 -5.014 0.265 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -12.384 -6.480 -0.052 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -13.137 -4.111 -0.395 1.00 0.00 C ATOM 0 H LEU A 68 -11.418 -4.480 4.148 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.260 -6.663 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -13.101 -5.101 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.007 -3.743 2.016 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.125 -4.757 -0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.366 -6.628 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.619 -7.102 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.363 -6.759 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.117 -4.265 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.130 -4.349 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.903 -3.070 -0.173 1.00 0.00 H new ATOM 1110 N VAL A 69 -9.046 -6.313 1.333 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.962 -6.199 0.391 1.00 0.00 C ATOM 1112 C VAL A 69 -8.546 -5.833 -0.978 1.00 0.00 C ATOM 1113 O VAL A 69 -9.512 -6.432 -1.448 1.00 0.00 O ATOM 1114 CB VAL A 69 -7.127 -7.485 0.400 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -7.959 -8.690 -0.029 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -5.847 -7.329 -0.429 1.00 0.00 C ATOM 0 H VAL A 69 -9.262 -7.275 1.593 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.271 -5.402 0.665 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.811 -7.672 1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.338 -9.586 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.797 -8.816 0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.337 -8.530 -1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.279 -8.259 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.108 -7.095 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.242 -6.522 -0.016 1.00 0.00 H new ATOM 1126 N THR A 70 -7.979 -4.815 -1.603 1.00 0.00 N ATOM 1127 CA THR A 70 -8.204 -4.475 -2.990 1.00 0.00 C ATOM 1128 C THR A 70 -6.885 -4.678 -3.740 1.00 0.00 C ATOM 1129 O THR A 70 -5.837 -4.501 -3.118 1.00 0.00 O ATOM 1130 CB THR A 70 -8.680 -3.021 -3.009 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.785 -2.174 -2.300 1.00 0.00 O ATOM 1132 CG2 THR A 70 -10.024 -2.907 -2.288 1.00 0.00 C ATOM 0 H THR A 70 -7.327 -4.183 -1.139 1.00 0.00 H new ATOM 0 HA THR A 70 -8.956 -5.096 -3.477 1.00 0.00 H new ATOM 0 HB THR A 70 -8.746 -2.723 -4.055 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.114 -1.251 -2.331 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.359 -1.870 -2.304 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.761 -3.534 -2.790 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.912 -3.236 -1.255 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.911 -4.991 -5.038 1.00 0.00 N ATOM 1141 CA GLU A 71 -5.732 -5.212 -5.885 1.00 0.00 C ATOM 1142 C GLU A 71 -4.546 -4.320 -5.517 1.00 0.00 C ATOM 1143 O GLU A 71 -3.447 -4.818 -5.260 1.00 0.00 O ATOM 1144 CB GLU A 71 -6.116 -4.951 -7.342 1.00 0.00 C ATOM 1145 CG GLU A 71 -6.979 -6.069 -7.938 1.00 0.00 C ATOM 1146 CD GLU A 71 -7.984 -5.456 -8.882 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -7.543 -4.985 -9.950 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -9.126 -5.239 -8.424 1.00 0.00 O ATOM 0 H GLU A 71 -7.787 -5.102 -5.549 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.415 -6.243 -5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.657 -4.007 -7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.210 -4.841 -7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.353 -6.787 -8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.490 -6.615 -7.145 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.759 -3.001 -5.485 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.672 -2.059 -5.250 1.00 0.00 C ATOM 1157 C VAL A 72 -2.861 -2.425 -4.019 1.00 0.00 C ATOM 1158 O VAL A 72 -1.680 -2.135 -3.991 1.00 0.00 O ATOM 1159 CB VAL A 72 -4.167 -0.606 -5.137 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -4.768 -0.259 -3.766 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -3.035 0.393 -5.418 1.00 0.00 C ATOM 0 H VAL A 72 -5.672 -2.567 -5.619 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.026 -2.128 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.954 -0.526 -5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.094 0.781 -3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.622 -0.907 -3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.015 -0.405 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.417 1.410 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.231 0.244 -4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.652 0.235 -6.426 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.461 -3.016 -2.987 1.00 0.00 N ATOM 1172 CA ARG A 73 -2.740 -3.410 -1.796 1.00 0.00 C ATOM 1173 C ARG A 73 -1.566 -4.296 -2.164 1.00 0.00 C ATOM 1174 O ARG A 73 -0.449 -4.010 -1.755 1.00 0.00 O ATOM 1175 CB ARG A 73 -3.665 -4.160 -0.841 1.00 0.00 C ATOM 1176 CG ARG A 73 -4.862 -3.320 -0.412 1.00 0.00 C ATOM 1177 CD ARG A 73 -4.477 -2.169 0.522 1.00 0.00 C ATOM 1178 NE ARG A 73 -4.010 -2.633 1.839 1.00 0.00 N ATOM 1179 CZ ARG A 73 -4.147 -1.874 2.939 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -4.305 -0.561 2.771 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -4.160 -2.436 4.155 1.00 0.00 N ATOM 0 H ARG A 73 -4.458 -3.231 -2.961 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.371 -2.511 -1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.018 -5.072 -1.323 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.102 -4.464 0.042 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.351 -2.915 -1.298 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.588 -3.960 0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.694 -1.574 0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.338 -1.514 0.657 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.573 -3.551 1.918 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.319 -0.165 1.831 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.412 0.048 3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.065 -3.447 4.251 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.264 -1.853 4.985 1.00 0.00 H new ATOM 1195 N VAL A 74 -1.813 -5.372 -2.903 1.00 0.00 N ATOM 1196 CA VAL A 74 -0.761 -6.307 -3.255 1.00 0.00 C ATOM 1197 C VAL A 74 0.265 -5.567 -4.111 1.00 0.00 C ATOM 1198 O VAL A 74 1.462 -5.628 -3.839 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.376 -7.486 -4.032 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.284 -8.380 -4.622 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.281 -8.340 -3.141 1.00 0.00 C ATOM 0 H VAL A 74 -2.734 -5.615 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.271 -6.701 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.974 -7.054 -4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.744 -9.205 -5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.335 -7.797 -5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.336 -8.776 -3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.696 -9.161 -3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.700 -8.742 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.093 -7.725 -2.751 1.00 0.00 H new ATOM 1211 N TYR A 75 -0.215 -4.853 -5.134 1.00 0.00 N ATOM 1212 CA TYR A 75 0.638 -4.102 -6.048 1.00 0.00 C ATOM 1213 C TYR A 75 1.597 -3.227 -5.230 1.00 0.00 C ATOM 1214 O TYR A 75 2.816 -3.369 -5.273 1.00 0.00 O ATOM 1215 CB TYR A 75 -0.245 -3.257 -6.992 1.00 0.00 C ATOM 1216 CG TYR A 75 0.386 -2.938 -8.334 1.00 0.00 C ATOM 1217 CD1 TYR A 75 1.744 -2.578 -8.424 1.00 0.00 C ATOM 1218 CD2 TYR A 75 -0.392 -2.999 -9.504 1.00 0.00 C ATOM 1219 CE1 TYR A 75 2.337 -2.366 -9.675 1.00 0.00 C ATOM 1220 CE2 TYR A 75 0.199 -2.750 -10.754 1.00 0.00 C ATOM 1221 CZ TYR A 75 1.573 -2.483 -10.844 1.00 0.00 C ATOM 1222 OH TYR A 75 2.184 -2.317 -12.051 1.00 0.00 O ATOM 0 H TYR A 75 -1.210 -4.782 -5.348 1.00 0.00 H new ATOM 0 HA TYR A 75 1.234 -4.777 -6.663 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.182 -3.788 -7.163 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.496 -2.321 -6.492 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.331 -2.465 -7.525 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.444 -3.237 -9.442 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.385 -2.112 -9.739 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.406 -2.764 -11.648 1.00 0.00 H new ATOM 0 HH TYR A 75 1.526 -2.429 -12.769 1.00 0.00 H new ATOM 1232 N ASN A 76 0.995 -2.323 -4.471 1.00 0.00 N ATOM 1233 CA ASN A 76 1.586 -1.414 -3.512 1.00 0.00 C ATOM 1234 C ASN A 76 2.572 -2.156 -2.632 1.00 0.00 C ATOM 1235 O ASN A 76 3.690 -1.689 -2.469 1.00 0.00 O ATOM 1236 CB ASN A 76 0.446 -0.803 -2.688 1.00 0.00 C ATOM 1237 CG ASN A 76 0.820 0.073 -1.506 1.00 0.00 C ATOM 1238 OD1 ASN A 76 1.971 0.193 -1.099 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -0.193 0.725 -0.936 1.00 0.00 N ATOM 0 H ASN A 76 -0.016 -2.200 -4.519 1.00 0.00 H new ATOM 0 HA ASN A 76 2.139 -0.620 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.174 -0.211 -3.361 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.175 -1.619 -2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.020 1.341 -0.142 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.141 0.608 -1.294 1.00 0.00 H new ATOM 1246 N TRP A 77 2.180 -3.295 -2.072 1.00 0.00 N ATOM 1247 CA TRP A 77 3.003 -4.061 -1.160 1.00 0.00 C ATOM 1248 C TRP A 77 4.273 -4.535 -1.862 1.00 0.00 C ATOM 1249 O TRP A 77 5.362 -4.250 -1.377 1.00 0.00 O ATOM 1250 CB TRP A 77 2.185 -5.201 -0.543 1.00 0.00 C ATOM 1251 CG TRP A 77 2.831 -5.925 0.594 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.452 -5.817 1.879 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.870 -6.944 0.578 1.00 0.00 C ATOM 1254 NE1 TRP A 77 3.252 -6.617 2.674 1.00 0.00 N ATOM 1255 CE2 TRP A 77 4.106 -7.393 1.913 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.645 -7.537 -0.430 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 5.023 -8.423 2.204 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 5.509 -8.595 -0.154 1.00 0.00 C ATOM 1259 CH2 TRP A 77 5.659 -9.089 1.147 1.00 0.00 C ATOM 0 H TRP A 77 1.266 -3.714 -2.245 1.00 0.00 H new ATOM 0 HA TRP A 77 3.328 -3.429 -0.333 1.00 0.00 H new ATOM 0 HB2 TRP A 77 1.235 -4.795 -0.197 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.956 -5.924 -1.326 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.643 -5.198 2.237 1.00 0.00 H new ATOM 0 HE1 TRP A 77 3.216 -6.633 3.693 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.570 -7.166 -1.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 5.233 -8.696 3.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.073 -9.042 -0.959 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.256 -9.970 1.334 1.00 0.00 H new ATOM 1270 N PHE A 78 4.168 -5.227 -2.998 1.00 0.00 N ATOM 1271 CA PHE A 78 5.352 -5.734 -3.691 1.00 0.00 C ATOM 1272 C PHE A 78 6.218 -4.577 -4.173 1.00 0.00 C ATOM 1273 O PHE A 78 7.431 -4.571 -3.958 1.00 0.00 O ATOM 1274 CB PHE A 78 4.981 -6.698 -4.825 1.00 0.00 C ATOM 1275 CG PHE A 78 4.835 -8.128 -4.341 1.00 0.00 C ATOM 1276 CD1 PHE A 78 3.619 -8.558 -3.782 1.00 0.00 C ATOM 1277 CD2 PHE A 78 5.967 -8.966 -4.271 1.00 0.00 C ATOM 1278 CE1 PHE A 78 3.535 -9.813 -3.155 1.00 0.00 C ATOM 1279 CE2 PHE A 78 5.881 -10.217 -3.637 1.00 0.00 C ATOM 1280 CZ PHE A 78 4.668 -10.638 -3.070 1.00 0.00 C ATOM 0 H PHE A 78 3.283 -5.447 -3.454 1.00 0.00 H new ATOM 0 HA PHE A 78 5.941 -6.316 -2.982 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.046 -6.374 -5.282 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.746 -6.656 -5.600 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.747 -7.923 -3.834 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.902 -8.646 -4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.596 -10.144 -2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.750 -10.856 -3.586 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.606 -11.593 -2.570 1.00 0.00 H new ATOM 1290 N ALA A 79 5.594 -3.569 -4.779 1.00 0.00 N ATOM 1291 CA ALA A 79 6.288 -2.356 -5.169 1.00 0.00 C ATOM 1292 C ALA A 79 6.997 -1.759 -3.953 1.00 0.00 C ATOM 1293 O ALA A 79 8.148 -1.356 -4.045 1.00 0.00 O ATOM 1294 CB ALA A 79 5.307 -1.364 -5.797 1.00 0.00 C ATOM 0 H ALA A 79 4.600 -3.575 -5.010 1.00 0.00 H new ATOM 0 HA ALA A 79 7.042 -2.589 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.840 -0.458 -6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.851 -1.813 -6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.530 -1.113 -5.074 1.00 0.00 H new ATOM 1300 N ASN A 80 6.319 -1.713 -2.806 1.00 0.00 N ATOM 1301 CA ASN A 80 6.863 -1.158 -1.576 1.00 0.00 C ATOM 1302 C ASN A 80 8.046 -1.988 -1.122 1.00 0.00 C ATOM 1303 O ASN A 80 9.042 -1.420 -0.722 1.00 0.00 O ATOM 1304 CB ASN A 80 5.834 -1.070 -0.440 1.00 0.00 C ATOM 1305 CG ASN A 80 6.452 -0.450 0.813 1.00 0.00 C ATOM 1306 OD1 ASN A 80 6.250 0.737 1.071 1.00 0.00 O ATOM 1307 ND2 ASN A 80 7.200 -1.214 1.596 1.00 0.00 N ATOM 0 H ASN A 80 5.367 -2.065 -2.708 1.00 0.00 H new ATOM 0 HA ASN A 80 7.171 -0.137 -1.803 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.981 -0.473 -0.763 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.456 -2.066 -0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.625 -0.822 2.436 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.351 -2.194 1.358 1.00 0.00 H new ATOM 1314 N ARG A 81 7.934 -3.311 -1.135 1.00 0.00 N ATOM 1315 CA ARG A 81 9.006 -4.219 -0.761 1.00 0.00 C ATOM 1316 C ARG A 81 10.251 -3.873 -1.565 1.00 0.00 C ATOM 1317 O ARG A 81 11.242 -3.407 -1.005 1.00 0.00 O ATOM 1318 CB ARG A 81 8.540 -5.671 -0.964 1.00 0.00 C ATOM 1319 CG ARG A 81 8.133 -6.339 0.355 1.00 0.00 C ATOM 1320 CD ARG A 81 7.105 -5.565 1.189 1.00 0.00 C ATOM 1321 NE ARG A 81 7.150 -6.013 2.591 1.00 0.00 N ATOM 1322 CZ ARG A 81 7.044 -5.249 3.687 1.00 0.00 C ATOM 1323 NH1 ARG A 81 6.701 -3.960 3.581 1.00 0.00 N ATOM 1324 NH2 ARG A 81 7.281 -5.801 4.872 1.00 0.00 N ATOM 0 H ARG A 81 7.077 -3.790 -1.412 1.00 0.00 H new ATOM 0 HA ARG A 81 9.261 -4.113 0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.695 -5.687 -1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.341 -6.246 -1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.728 -7.327 0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.028 -6.489 0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.311 -4.496 1.134 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.105 -5.718 0.782 1.00 0.00 H new ATOM 0 HE ARG A 81 7.275 -7.014 2.745 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.519 -3.555 2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.622 -3.383 4.418 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.537 -6.786 4.934 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.207 -5.239 5.720 1.00 0.00 H new ATOM 1338 N ARG A 82 10.184 -4.008 -2.888 1.00 0.00 N ATOM 1339 CA ARG A 82 11.355 -3.693 -3.685 1.00 0.00 C ATOM 1340 C ARG A 82 11.745 -2.223 -3.556 1.00 0.00 C ATOM 1341 O ARG A 82 12.914 -1.892 -3.723 1.00 0.00 O ATOM 1342 CB ARG A 82 11.220 -4.176 -5.130 1.00 0.00 C ATOM 1343 CG ARG A 82 10.169 -3.447 -5.974 1.00 0.00 C ATOM 1344 CD ARG A 82 10.142 -4.160 -7.328 1.00 0.00 C ATOM 1345 NE ARG A 82 9.393 -3.433 -8.366 1.00 0.00 N ATOM 1346 CZ ARG A 82 9.041 -3.993 -9.535 1.00 0.00 C ATOM 1347 NH1 ARG A 82 9.028 -5.319 -9.679 1.00 0.00 N ATOM 1348 NH2 ARG A 82 8.728 -3.211 -10.566 1.00 0.00 N ATOM 0 H ARG A 82 9.365 -4.321 -3.409 1.00 0.00 H new ATOM 0 HA ARG A 82 12.194 -4.257 -3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.188 -4.075 -5.620 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.978 -5.239 -5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.191 -3.484 -5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.426 -2.395 -6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.166 -4.310 -7.670 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.701 -5.148 -7.199 1.00 0.00 H new ATOM 0 HE ARG A 82 9.130 -2.463 -8.190 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.287 -5.920 -8.896 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.759 -5.732 -10.572 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.757 -2.197 -10.464 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.459 -3.626 -11.458 1.00 0.00 H new ATOM 1362 N LYS A 83 10.806 -1.320 -3.267 1.00 0.00 N ATOM 1363 CA LYS A 83 11.135 0.078 -3.047 1.00 0.00 C ATOM 1364 C LYS A 83 11.971 0.252 -1.795 1.00 0.00 C ATOM 1365 O LYS A 83 13.030 0.864 -1.854 1.00 0.00 O ATOM 1366 CB LYS A 83 9.871 0.952 -3.003 1.00 0.00 C ATOM 1367 CG LYS A 83 10.151 2.451 -2.832 1.00 0.00 C ATOM 1368 CD LYS A 83 10.562 3.117 -4.151 1.00 0.00 C ATOM 1369 CE LYS A 83 9.360 3.201 -5.110 1.00 0.00 C ATOM 1370 NZ LYS A 83 9.386 4.429 -5.926 1.00 0.00 N ATOM 0 H LYS A 83 9.813 -1.538 -3.181 1.00 0.00 H new ATOM 0 HA LYS A 83 11.733 0.414 -3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.306 0.802 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.238 0.616 -2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.261 2.943 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.942 2.590 -2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.949 4.117 -3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.367 2.549 -4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.359 2.330 -5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.435 3.168 -4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.559 4.444 -6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.361 5.261 -5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.256 4.449 -6.495 1.00 0.00 H new ATOM 1384 N GLU A 84 11.520 -0.261 -0.662 1.00 0.00 N ATOM 1385 CA GLU A 84 12.275 -0.240 0.564 1.00 0.00 C ATOM 1386 C GLU A 84 13.630 -0.884 0.244 1.00 0.00 C ATOM 1387 O GLU A 84 14.675 -0.349 0.607 1.00 0.00 O ATOM 1388 CB GLU A 84 11.451 -0.959 1.652 1.00 0.00 C ATOM 1389 CG GLU A 84 11.204 -0.078 2.887 1.00 0.00 C ATOM 1390 CD GLU A 84 10.053 -0.609 3.724 1.00 0.00 C ATOM 1391 OE1 GLU A 84 10.305 -1.458 4.599 1.00 0.00 O ATOM 1392 OE2 GLU A 84 8.901 -0.193 3.482 1.00 0.00 O ATOM 0 H GLU A 84 10.607 -0.708 -0.575 1.00 0.00 H new ATOM 0 HA GLU A 84 12.469 0.758 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.493 -1.267 1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.972 -1.867 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.109 -0.037 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.986 0.942 2.571 1.00 0.00 H new ATOM 1399 N GLU A 85 13.627 -1.937 -0.579 1.00 0.00 N ATOM 1400 CA GLU A 85 14.817 -2.698 -0.932 1.00 0.00 C ATOM 1401 C GLU A 85 15.451 -2.148 -2.221 1.00 0.00 C ATOM 1402 O GLU A 85 15.973 -2.894 -3.050 1.00 0.00 O ATOM 1403 CB GLU A 85 14.443 -4.187 -0.990 1.00 0.00 C ATOM 1404 CG GLU A 85 15.625 -5.111 -0.673 1.00 0.00 C ATOM 1405 CD GLU A 85 15.174 -6.541 -0.465 1.00 0.00 C ATOM 1406 OE1 GLU A 85 14.059 -6.900 -0.892 1.00 0.00 O ATOM 1407 OE2 GLU A 85 15.962 -7.295 0.138 1.00 0.00 O ATOM 0 H GLU A 85 12.778 -2.286 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 85 15.593 -2.592 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.636 -4.382 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.061 -4.422 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 85 16.347 -5.072 -1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 85 16.135 -4.756 0.222 1.00 0.00 H new ATOM 1414 N ALA A 86 15.404 -0.827 -2.383 1.00 0.00 N ATOM 1415 CA ALA A 86 16.074 -0.070 -3.431 1.00 0.00 C ATOM 1416 C ALA A 86 16.453 1.279 -2.833 1.00 0.00 C ATOM 1417 O ALA A 86 17.624 1.637 -2.708 1.00 0.00 O ATOM 1418 CB ALA A 86 15.126 0.119 -4.618 1.00 0.00 C ATOM 0 H ALA A 86 14.870 -0.228 -1.753 1.00 0.00 H new ATOM 0 HA ALA A 86 16.961 -0.592 -3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.631 0.686 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 86 14.833 -0.856 -5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.239 0.661 -4.292 1.00 0.00 H new ATOM 1424 N PHE A 87 15.414 1.995 -2.415 1.00 0.00 N ATOM 1425 CA PHE A 87 15.445 3.239 -1.681 1.00 0.00 C ATOM 1426 C PHE A 87 16.405 3.089 -0.512 1.00 0.00 C ATOM 1427 O PHE A 87 17.412 3.785 -0.480 1.00 0.00 O ATOM 1428 CB PHE A 87 14.011 3.594 -1.231 1.00 0.00 C ATOM 1429 CG PHE A 87 13.704 5.053 -0.963 1.00 0.00 C ATOM 1430 CD1 PHE A 87 14.633 5.880 -0.315 1.00 0.00 C ATOM 1431 CD2 PHE A 87 12.475 5.599 -1.378 1.00 0.00 C ATOM 1432 CE1 PHE A 87 14.500 7.275 -0.410 1.00 0.00 C ATOM 1433 CE2 PHE A 87 12.269 6.986 -1.310 1.00 0.00 C ATOM 1434 CZ PHE A 87 13.334 7.828 -0.958 1.00 0.00 C ATOM 0 H PHE A 87 14.458 1.690 -2.599 1.00 0.00 H new ATOM 0 HA PHE A 87 15.803 4.060 -2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.321 3.240 -1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 87 13.795 3.032 -0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 87 15.444 5.448 0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 87 11.693 4.953 -1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 87 15.293 7.920 -0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 87 11.296 7.402 -1.527 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.256 8.895 -1.108 1.00 0.00 H new ATOM 1444 N ARG A 88 16.139 2.178 0.429 1.00 0.00 N ATOM 1445 CA ARG A 88 17.019 2.054 1.584 1.00 0.00 C ATOM 1446 C ARG A 88 18.403 1.597 1.131 1.00 0.00 C ATOM 1447 O ARG A 88 19.409 1.896 1.760 1.00 0.00 O ATOM 1448 CB ARG A 88 16.449 1.091 2.639 1.00 0.00 C ATOM 1449 CG ARG A 88 17.304 0.996 3.917 1.00 0.00 C ATOM 1450 CD ARG A 88 18.206 -0.249 3.922 1.00 0.00 C ATOM 1451 NE ARG A 88 17.389 -1.470 3.881 1.00 0.00 N ATOM 1452 CZ ARG A 88 17.801 -2.686 3.487 1.00 0.00 C ATOM 1453 NH1 ARG A 88 19.076 -2.877 3.136 1.00 0.00 N ATOM 1454 NH2 ARG A 88 16.933 -3.691 3.433 1.00 0.00 N ATOM 0 H ARG A 88 15.346 1.536 0.413 1.00 0.00 H new ATOM 0 HA ARG A 88 17.098 3.034 2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.444 1.415 2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.357 0.098 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.921 1.890 4.006 1.00 0.00 H new ATOM 0 HG3 ARG A 88 16.650 0.972 4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 88 18.878 -0.224 3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 88 18.830 -0.251 4.815 1.00 0.00 H new ATOM 0 HE ARG A 88 16.417 -1.386 4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 88 19.736 -2.100 3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 88 19.390 -3.800 2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.958 -3.537 3.690 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.242 -4.616 3.134 1.00 0.00 H new ATOM 1468 N HIS A 89 18.446 0.801 0.065 1.00 0.00 N ATOM 1469 CA HIS A 89 19.675 0.200 -0.402 1.00 0.00 C ATOM 1470 C HIS A 89 20.684 1.235 -0.899 1.00 0.00 C ATOM 1471 O HIS A 89 21.873 0.934 -0.897 1.00 0.00 O ATOM 1472 CB HIS A 89 19.370 -0.865 -1.462 1.00 0.00 C ATOM 1473 CG HIS A 89 19.470 -2.269 -0.918 1.00 0.00 C ATOM 1474 ND1 HIS A 89 20.505 -3.152 -1.130 1.00 0.00 N ATOM 1475 CD2 HIS A 89 18.667 -2.802 0.053 1.00 0.00 C ATOM 1476 CE1 HIS A 89 20.337 -4.184 -0.285 1.00 0.00 C ATOM 1477 NE2 HIS A 89 19.233 -4.014 0.472 1.00 0.00 N ATOM 0 H HIS A 89 17.627 0.560 -0.493 1.00 0.00 H new ATOM 0 HA HIS A 89 20.152 -0.288 0.448 1.00 0.00 H new ATOM 0 HB2 HIS A 89 18.367 -0.703 -1.857 1.00 0.00 H new ATOM 0 HB3 HIS A 89 20.063 -0.752 -2.296 1.00 0.00 H new ATOM 0 HD1 HIS A 89 21.262 -3.043 -1.805 1.00 0.00 H new ATOM 0 HD2 HIS A 89 17.755 -2.365 0.431 1.00 0.00 H new ATOM 0 HE1 HIS A 89 20.998 -5.036 -0.221 1.00 0.00 H new ATOM 1485 N LYS A 90 20.236 2.410 -1.358 1.00 0.00 N ATOM 1486 CA LYS A 90 21.150 3.541 -1.552 1.00 0.00 C ATOM 1487 C LYS A 90 20.847 4.730 -0.653 1.00 0.00 C ATOM 1488 O LYS A 90 21.773 5.213 -0.010 1.00 0.00 O ATOM 1489 CB LYS A 90 21.276 3.974 -3.023 1.00 0.00 C ATOM 1490 CG LYS A 90 22.704 4.471 -3.368 1.00 0.00 C ATOM 1491 CD LYS A 90 22.912 5.985 -3.578 1.00 0.00 C ATOM 1492 CE LYS A 90 22.755 6.948 -2.382 1.00 0.00 C ATOM 1493 NZ LYS A 90 23.620 6.702 -1.209 1.00 0.00 N ATOM 0 H LYS A 90 19.263 2.601 -1.598 1.00 0.00 H new ATOM 0 HA LYS A 90 22.123 3.157 -1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 90 21.019 3.135 -3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 90 20.558 4.767 -3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 90 23.372 4.150 -2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.025 3.961 -4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 90 23.916 6.124 -3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 90 22.213 6.307 -4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 90 22.943 7.962 -2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 90 21.717 6.913 -2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 24.024 7.602 -0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 23.057 6.276 -0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 24.389 6.054 -1.475 1.00 0.00 H new ATOM 1507 N LEU A 91 19.633 5.279 -0.725 1.00 0.00 N ATOM 1508 CA LEU A 91 19.262 6.499 -0.057 1.00 0.00 C ATOM 1509 C LEU A 91 19.121 6.233 1.448 1.00 0.00 C ATOM 1510 O LEU A 91 20.117 6.089 2.139 1.00 0.00 O ATOM 1511 CB LEU A 91 18.013 7.155 -0.680 1.00 0.00 C ATOM 1512 CG LEU A 91 17.973 7.505 -2.182 1.00 0.00 C ATOM 1513 CD1 LEU A 91 19.312 7.942 -2.773 1.00 0.00 C ATOM 1514 CD2 LEU A 91 17.382 6.365 -3.022 1.00 0.00 C ATOM 0 H LEU A 91 18.872 4.867 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 91 20.056 7.233 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 91 17.171 6.492 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 91 17.828 8.078 -0.131 1.00 0.00 H new ATOM 0 HG LEU A 91 17.316 8.373 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 91 19.186 8.167 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 91 19.666 8.832 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.040 7.139 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 91 17.373 6.654 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 91 17.990 5.469 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 91 16.363 6.161 -2.693 1.00 0.00 H new ATOM 1526 N ALA A 92 17.897 6.155 1.981 1.00 0.00 N ATOM 1527 CA ALA A 92 17.678 5.975 3.412 1.00 0.00 C ATOM 1528 C ALA A 92 18.188 7.216 4.139 1.00 0.00 C ATOM 1529 O ALA A 92 19.117 7.172 4.930 1.00 0.00 O ATOM 1530 CB ALA A 92 18.348 4.683 3.905 1.00 0.00 C ATOM 0 H ALA A 92 17.039 6.215 1.433 1.00 0.00 H new ATOM 0 HA ALA A 92 16.615 5.864 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.173 4.568 4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 92 17.927 3.829 3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 92 19.420 4.734 3.717 1.00 0.00 H new ATOM 1536 N MET A 93 17.642 8.374 3.793 1.00 0.00 N ATOM 1537 CA MET A 93 18.179 9.660 4.221 1.00 0.00 C ATOM 1538 C MET A 93 19.699 9.800 3.960 1.00 0.00 C ATOM 1539 O MET A 93 20.355 10.593 4.628 1.00 0.00 O ATOM 1540 CB MET A 93 17.851 9.936 5.705 1.00 0.00 C ATOM 1541 CG MET A 93 16.369 9.818 6.093 1.00 0.00 C ATOM 1542 SD MET A 93 15.483 11.391 6.219 1.00 0.00 S ATOM 1543 CE MET A 93 13.893 10.805 6.840 1.00 0.00 C ATOM 0 H MET A 93 16.811 8.449 3.206 1.00 0.00 H new ATOM 0 HA MET A 93 17.686 10.414 3.608 1.00 0.00 H new ATOM 0 HB2 MET A 93 18.425 9.243 6.320 1.00 0.00 H new ATOM 0 HB3 MET A 93 18.194 10.941 5.953 1.00 0.00 H new ATOM 0 HG2 MET A 93 15.865 9.192 5.356 1.00 0.00 H new ATOM 0 HG3 MET A 93 16.300 9.302 7.050 1.00 0.00 H new ATOM 0 HE1 MET A 93 13.221 11.652 6.976 1.00 0.00 H new ATOM 0 HE2 MET A 93 13.458 10.107 6.125 1.00 0.00 H new ATOM 0 HE3 MET A 93 14.039 10.301 7.795 1.00 0.00 H new ATOM 1553 N ASP A 94 20.255 9.011 3.029 1.00 0.00 N ATOM 1554 CA ASP A 94 21.690 8.771 2.840 1.00 0.00 C ATOM 1555 C ASP A 94 22.453 8.557 4.162 1.00 0.00 C ATOM 1556 O ASP A 94 23.642 8.850 4.266 1.00 0.00 O ATOM 1557 CB ASP A 94 22.302 9.793 1.860 1.00 0.00 C ATOM 1558 CG ASP A 94 22.803 9.094 0.611 1.00 0.00 C ATOM 1559 OD1 ASP A 94 22.001 8.854 -0.315 1.00 0.00 O ATOM 1560 OD2 ASP A 94 23.973 8.662 0.559 1.00 0.00 O ATOM 0 H ASP A 94 19.686 8.498 2.355 1.00 0.00 H new ATOM 0 HA ASP A 94 21.811 7.806 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 94 21.556 10.541 1.591 1.00 0.00 H new ATOM 0 HB3 ASP A 94 23.124 10.322 2.343 1.00 0.00 H new ATOM 1565 N THR A 95 21.766 8.007 5.169 1.00 0.00 N ATOM 1566 CA THR A 95 22.246 7.753 6.519 1.00 0.00 C ATOM 1567 C THR A 95 21.306 6.750 7.220 1.00 0.00 C ATOM 1568 O THR A 95 21.651 5.591 7.447 1.00 0.00 O ATOM 1569 CB THR A 95 22.317 9.070 7.328 1.00 0.00 C ATOM 1570 OG1 THR A 95 21.098 9.786 7.219 1.00 0.00 O ATOM 1571 CG2 THR A 95 23.455 10.020 6.941 1.00 0.00 C ATOM 0 H THR A 95 20.798 7.711 5.048 1.00 0.00 H new ATOM 0 HA THR A 95 23.249 7.331 6.463 1.00 0.00 H new ATOM 0 HB THR A 95 22.512 8.742 8.349 1.00 0.00 H new ATOM 0 HG1 THR A 95 20.977 10.087 6.294 1.00 0.00 H new ATOM 0 HG21 THR A 95 23.414 10.911 7.568 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.412 9.519 7.085 1.00 0.00 H new ATOM 0 HG23 THR A 95 23.349 10.307 5.895 1.00 0.00 H new ATOM 1579 N TYR A 96 20.140 7.234 7.656 1.00 0.00 N ATOM 1580 CA TYR A 96 19.254 6.570 8.606 1.00 0.00 C ATOM 1581 C TYR A 96 18.377 5.519 7.916 1.00 0.00 C ATOM 1582 O TYR A 96 18.168 5.520 6.715 1.00 0.00 O ATOM 1583 CB TYR A 96 18.365 7.630 9.277 1.00 0.00 C ATOM 1584 CG TYR A 96 19.010 8.545 10.309 1.00 0.00 C ATOM 1585 CD1 TYR A 96 20.384 8.474 10.621 1.00 0.00 C ATOM 1586 CD2 TYR A 96 18.225 9.562 10.888 1.00 0.00 C ATOM 1587 CE1 TYR A 96 20.956 9.403 11.506 1.00 0.00 C ATOM 1588 CE2 TYR A 96 18.800 10.489 11.774 1.00 0.00 C ATOM 1589 CZ TYR A 96 20.172 10.419 12.068 1.00 0.00 C ATOM 1590 OH TYR A 96 20.741 11.316 12.919 1.00 0.00 O ATOM 0 H TYR A 96 19.776 8.134 7.343 1.00 0.00 H new ATOM 0 HA TYR A 96 19.862 6.056 9.351 1.00 0.00 H new ATOM 0 HB2 TYR A 96 17.940 8.256 8.493 1.00 0.00 H new ATOM 0 HB3 TYR A 96 17.534 7.115 9.759 1.00 0.00 H new ATOM 0 HD1 TYR A 96 20.998 7.703 10.178 1.00 0.00 H new ATOM 0 HD2 TYR A 96 17.174 9.630 10.649 1.00 0.00 H new ATOM 0 HE1 TYR A 96 22.005 9.334 11.754 1.00 0.00 H new ATOM 0 HE2 TYR A 96 18.188 11.254 12.228 1.00 0.00 H new ATOM 0 HH TYR A 96 20.063 11.957 13.220 1.00 0.00 H new ATOM 1600 N LYS A 97 17.784 4.616 8.692 1.00 0.00 N ATOM 1601 CA LYS A 97 17.258 3.344 8.197 1.00 0.00 C ATOM 1602 C LYS A 97 16.012 3.378 7.281 1.00 0.00 C ATOM 1603 O LYS A 97 15.349 2.350 7.155 1.00 0.00 O ATOM 1604 CB LYS A 97 17.057 2.438 9.421 1.00 0.00 C ATOM 1605 CG LYS A 97 15.982 2.956 10.391 1.00 0.00 C ATOM 1606 CD LYS A 97 16.111 2.254 11.750 1.00 0.00 C ATOM 1607 CE LYS A 97 14.915 2.530 12.680 1.00 0.00 C ATOM 1608 NZ LYS A 97 14.811 3.947 13.088 1.00 0.00 N ATOM 0 H LYS A 97 17.653 4.747 9.695 1.00 0.00 H new ATOM 0 HA LYS A 97 18.000 2.956 7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.781 1.439 9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 97 18.003 2.344 9.954 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.086 4.033 10.519 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.990 2.779 9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.202 1.179 11.592 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.028 2.583 12.238 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.995 2.235 12.176 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.004 1.908 13.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.019 4.060 13.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.695 4.241 13.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.646 4.539 12.249 1.00 0.00 H new ATOM 1622 N LEU A 98 15.678 4.503 6.642 1.00 0.00 N ATOM 1623 CA LEU A 98 14.486 4.711 5.817 1.00 0.00 C ATOM 1624 C LEU A 98 13.251 4.496 6.687 1.00 0.00 C ATOM 1625 O LEU A 98 12.700 3.399 6.762 1.00 0.00 O ATOM 1626 CB LEU A 98 14.460 3.842 4.543 1.00 0.00 C ATOM 1627 CG LEU A 98 13.548 4.395 3.420 1.00 0.00 C ATOM 1628 CD1 LEU A 98 13.228 3.279 2.425 1.00 0.00 C ATOM 1629 CD2 LEU A 98 12.212 4.990 3.888 1.00 0.00 C ATOM 0 H LEU A 98 16.263 5.337 6.689 1.00 0.00 H new ATOM 0 HA LEU A 98 14.501 5.735 5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 98 15.476 3.749 4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 98 14.126 2.839 4.807 1.00 0.00 H new ATOM 0 HG LEU A 98 14.120 5.211 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 98 12.586 3.669 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.154 2.904 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 98 12.716 2.467 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 98 11.651 5.348 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 98 11.634 4.224 4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.402 5.821 4.567 1.00 0.00 H new ATOM 1641 N ASN A 99 12.834 5.550 7.372 1.00 0.00 N ATOM 1642 CA ASN A 99 11.693 5.545 8.266 1.00 0.00 C ATOM 1643 C ASN A 99 11.023 6.905 8.176 1.00 0.00 C ATOM 1644 O ASN A 99 11.745 7.839 7.769 1.00 0.00 O ATOM 1645 CB ASN A 99 12.132 5.239 9.700 1.00 0.00 C ATOM 1646 CG ASN A 99 13.315 6.061 10.220 1.00 0.00 C ATOM 1647 OD1 ASN A 99 14.129 5.537 10.980 1.00 0.00 O ATOM 1648 ND2 ASN A 99 13.464 7.332 9.862 1.00 0.00 N ATOM 1649 OXT ASN A 99 9.777 6.939 8.132 1.00 0.00 O ATOM 0 H ASN A 99 13.296 6.458 7.317 1.00 0.00 H new ATOM 0 HA ASN A 99 10.988 4.766 7.975 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.282 5.399 10.363 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.391 4.182 9.764 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.253 7.873 10.217 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.790 7.767 9.232 1.00 0.00 H new TER 1656 ASN A 99