USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1031 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 1 GLY N :NH3+ -167:sc= 0.462 (180deg=0.32) USER MOD Set 1.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 42 LYS NZ :NH3+ 160:sc= 1.24 (180deg=1.17) USER MOD Set 2.2: B 40 MET CE :methyl -147:sc= -0.939 (180deg=-2.23!) USER MOD Set 3.1: A 12 MET CE :methyl -167:sc= -1.56 (180deg=-2.03) USER MOD Set 3.2: A 20 GLN : amide:sc= -3.67! C(o=-5.2!,f=-5.1!) USER MOD Set 4.1: A 7 LYS NZ :NH3+ 160:sc= 1.02 (180deg=0) USER MOD Set 4.2: A 77 TYR OH : rot -0:sc= 0.886 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc=0.000143 (180deg=-0.22) USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= -0.139 (180deg=-0.7) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 159:sc= 0.727 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 90:sc= 1.2 USER MOD Single : A 26 HIS : no HD1:sc= -2 K(o=-2,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 1.14 (180deg=1.08) USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0134) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.12) USER MOD Single : A 30 HIS : no HD1:sc= -0.0336 X(o=-0.034,f=-0.034) USER MOD Single : A 34 SER OG : rot -54:sc= -0.67! USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.00647 USER MOD Single : A 41 SER OG : rot -84:sc= 0.485 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 90:sc= 0.559 USER MOD Single : A 45 SER OG : rot -82:sc= 1.2 USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0681) USER MOD Single : A 50 THR OG1 : rot -0:sc= 1.22 USER MOD Single : A 51 MET CE :methyl -166:sc= -1.45 (180deg=-1.53!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= 1.25 (180deg=0.567) USER MOD Single : A 56 LYS NZ :NH3+ -104:sc= 0.131 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= -0.0108 (180deg=-0.168) USER MOD Single : A 62 MET CE :methyl -178:sc= -1.93! (180deg=-1.98) USER MOD Single : A 64 LYS NZ :NH3+ -127:sc= 0.811 (180deg=-0.291) USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.1) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 154:sc= -1.79! (180deg=-3.23!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 103:sc= 0.35 USER MOD Single : A 81 LYS NZ :NH3+ -162:sc= 1.13 (180deg=0.652) USER MOD Single : B 15 SER OG : rot -35:sc= 0.0792 USER MOD Single : B 16 GLN : amide:sc= -1.48 K(o=-1.5,f=-6.9!) USER MOD Single : B 18 THR OG1 : rot 180:sc= 0.00203 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0662) USER MOD Single : B 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 ASN : amide:sc= -1.82 K(o=-1.8,f=-2.6) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 GLN : amide:sc= -0.0124 K(o=-0.012,f=-0.95) USER MOD Single : B 44 MET CE :methyl -150:sc= -1.69 (180deg=-6.19!) USER MOD Single : B 46 SER OG : rot -43:sc= 0.914 USER MOD Single : B 52 GLN : amide:sc= 0.335 X(o=0.33,f=-0.00045) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.106 0.981 -7.900 1.00 0.00 N ATOM 2 CA GLY A 1 13.353 1.552 -9.243 1.00 0.00 C ATOM 3 C GLY A 1 14.661 2.302 -9.300 1.00 0.00 C ATOM 4 O GLY A 1 15.348 2.437 -8.285 1.00 0.00 O ATOM 0 H1 GLY A 1 12.324 0.298 -7.952 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.965 0.500 -7.564 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.856 1.744 -7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.360 0.752 -9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.537 2.224 -9.508 1.00 0.00 H new ATOM 10 N LYS A 2 15.007 2.795 -10.477 1.00 0.00 N ATOM 11 CA LYS A 2 16.255 3.518 -10.665 1.00 0.00 C ATOM 12 C LYS A 2 15.980 5.007 -10.828 1.00 0.00 C ATOM 13 O LYS A 2 15.419 5.437 -11.837 1.00 0.00 O ATOM 14 CB LYS A 2 16.997 2.978 -11.889 1.00 0.00 C ATOM 15 CG LYS A 2 17.293 1.487 -11.809 1.00 0.00 C ATOM 16 CD LYS A 2 17.992 0.980 -13.062 1.00 0.00 C ATOM 17 CE LYS A 2 19.373 1.596 -13.224 1.00 0.00 C ATOM 18 NZ LYS A 2 20.072 1.079 -14.428 1.00 0.00 N1+ ATOM 0 H LYS A 2 14.439 2.708 -11.320 1.00 0.00 H new ATOM 0 HA LYS A 2 16.881 3.374 -9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 2 16.402 3.175 -12.781 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.935 3.521 -12.005 1.00 0.00 H new ATOM 0 HG2 LYS A 2 17.918 1.287 -10.938 1.00 0.00 H new ATOM 0 HG3 LYS A 2 16.362 0.939 -11.666 1.00 0.00 H new ATOM 0 HD2 LYS A 2 18.081 -0.105 -13.015 1.00 0.00 H new ATOM 0 HD3 LYS A 2 17.385 1.213 -13.937 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.281 2.680 -13.295 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.971 1.384 -12.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 21.009 1.523 -14.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.183 0.048 -14.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.514 1.303 -15.276 1.00 0.00 H new ATOM 32 N GLY A 3 16.359 5.785 -9.827 1.00 0.00 N ATOM 33 CA GLY A 3 16.141 7.216 -9.874 1.00 0.00 C ATOM 34 C GLY A 3 16.958 7.948 -8.831 1.00 0.00 C ATOM 35 O GLY A 3 18.089 8.360 -9.094 1.00 0.00 O ATOM 0 H GLY A 3 16.816 5.450 -8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 3 16.399 7.590 -10.865 1.00 0.00 H new ATOM 0 HA3 GLY A 3 15.083 7.427 -9.719 1.00 0.00 H new ATOM 39 N ASP A 4 16.393 8.102 -7.643 1.00 0.00 N ATOM 40 CA ASP A 4 17.084 8.766 -6.544 1.00 0.00 C ATOM 41 C ASP A 4 16.853 7.990 -5.251 1.00 0.00 C ATOM 42 O ASP A 4 15.712 7.819 -4.819 1.00 0.00 O ATOM 43 CB ASP A 4 16.590 10.209 -6.385 1.00 0.00 C ATOM 44 CG ASP A 4 17.482 11.036 -5.477 1.00 0.00 C ATOM 45 OD1 ASP A 4 17.709 10.633 -4.313 1.00 0.00 O1- ATOM 46 OD2 ASP A 4 17.987 12.084 -5.929 1.00 0.00 O ATOM 0 H ASP A 4 15.454 7.775 -7.413 1.00 0.00 H new ATOM 0 HA ASP A 4 18.151 8.792 -6.766 1.00 0.00 H new ATOM 0 HB2 ASP A 4 16.539 10.682 -7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 4 15.577 10.200 -5.982 1.00 0.00 H new ATOM 51 N PRO A 5 17.929 7.487 -4.631 1.00 0.00 N ATOM 52 CA PRO A 5 17.843 6.680 -3.422 1.00 0.00 C ATOM 53 C PRO A 5 18.034 7.481 -2.134 1.00 0.00 C ATOM 54 O PRO A 5 18.264 6.909 -1.063 1.00 0.00 O ATOM 55 CB PRO A 5 18.996 5.700 -3.618 1.00 0.00 C ATOM 56 CG PRO A 5 20.012 6.433 -4.449 1.00 0.00 C ATOM 57 CD PRO A 5 19.322 7.628 -5.072 1.00 0.00 C ATOM 0 HA PRO A 5 16.860 6.224 -3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 5 19.419 5.395 -2.661 1.00 0.00 H new ATOM 0 HB3 PRO A 5 18.659 4.793 -4.121 1.00 0.00 H new ATOM 0 HG2 PRO A 5 20.851 6.755 -3.832 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.417 5.780 -5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 5 19.758 8.567 -4.730 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.402 7.616 -6.159 1.00 0.00 H new ATOM 65 N LYS A 6 17.936 8.797 -2.231 1.00 0.00 N ATOM 66 CA LYS A 6 18.141 9.661 -1.070 1.00 0.00 C ATOM 67 C LYS A 6 16.825 10.232 -0.577 1.00 0.00 C ATOM 68 O LYS A 6 16.795 11.093 0.302 1.00 0.00 O ATOM 69 CB LYS A 6 19.102 10.800 -1.409 1.00 0.00 C ATOM 70 CG LYS A 6 20.421 10.330 -1.992 1.00 0.00 C ATOM 71 CD LYS A 6 21.344 11.497 -2.297 1.00 0.00 C ATOM 72 CE LYS A 6 20.697 12.493 -3.247 1.00 0.00 C ATOM 73 NZ LYS A 6 20.201 11.843 -4.488 1.00 0.00 N1+ ATOM 0 H LYS A 6 17.717 9.292 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 6 18.576 9.052 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.620 11.472 -2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 6 19.299 11.378 -0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 6 20.909 9.653 -1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.235 9.764 -2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.612 12.001 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.269 11.124 -2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.868 12.989 -2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.420 13.266 -3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.679 12.538 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.007 11.480 -5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.569 11.055 -4.239 1.00 0.00 H new ATOM 87 N LYS A 7 15.745 9.729 -1.131 1.00 0.00 N ATOM 88 CA LYS A 7 14.420 10.243 -0.836 1.00 0.00 C ATOM 89 C LYS A 7 13.571 9.201 -0.117 1.00 0.00 C ATOM 90 O LYS A 7 13.724 8.000 -0.341 1.00 0.00 O ATOM 91 CB LYS A 7 13.753 10.689 -2.136 1.00 0.00 C ATOM 92 CG LYS A 7 13.541 9.569 -3.139 1.00 0.00 C ATOM 93 CD LYS A 7 13.336 10.113 -4.544 1.00 0.00 C ATOM 94 CE LYS A 7 12.069 10.943 -4.661 1.00 0.00 C ATOM 95 NZ LYS A 7 12.022 11.684 -5.946 1.00 0.00 N1+ ATOM 0 H LYS A 7 15.756 8.956 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 7 14.513 11.099 -0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.789 11.140 -1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 7 14.364 11.465 -2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.402 8.901 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.674 8.976 -2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.195 10.723 -4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.291 9.283 -5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.198 10.292 -4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.016 11.648 -3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.040 11.958 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.612 12.537 -5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.380 11.077 -6.710 1.00 0.00 H new ATOM 109 N PRO A 8 12.681 9.653 0.780 1.00 0.00 N ATOM 110 CA PRO A 8 11.762 8.766 1.496 1.00 0.00 C ATOM 111 C PRO A 8 10.740 8.133 0.553 1.00 0.00 C ATOM 112 O PRO A 8 10.484 8.650 -0.538 1.00 0.00 O ATOM 113 CB PRO A 8 11.083 9.692 2.506 1.00 0.00 C ATOM 114 CG PRO A 8 11.216 11.059 1.929 1.00 0.00 C ATOM 115 CD PRO A 8 12.510 11.063 1.168 1.00 0.00 C ATOM 0 HA PRO A 8 12.274 7.926 1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.036 9.423 2.646 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.562 9.628 3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.377 11.289 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.223 11.815 2.714 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.462 11.717 0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.338 11.414 1.784 1.00 0.00 H new ATOM 123 N ARG A 9 10.151 7.023 0.975 1.00 0.00 N ATOM 124 CA ARG A 9 9.298 6.241 0.087 1.00 0.00 C ATOM 125 C ARG A 9 7.859 6.754 0.070 1.00 0.00 C ATOM 126 O ARG A 9 7.185 6.681 -0.954 1.00 0.00 O ATOM 127 CB ARG A 9 9.356 4.756 0.465 1.00 0.00 C ATOM 128 CG ARG A 9 8.761 4.426 1.822 1.00 0.00 C ATOM 129 CD ARG A 9 9.333 3.132 2.374 1.00 0.00 C ATOM 130 NE ARG A 9 10.066 3.342 3.622 1.00 0.00 N ATOM 131 CZ ARG A 9 11.043 2.546 4.054 1.00 0.00 C ATOM 132 NH1 ARG A 9 11.397 1.475 3.352 1.00 0.00 N1+ ATOM 133 NH2 ARG A 9 11.659 2.819 5.193 1.00 0.00 N ATOM 0 H ARG A 9 10.246 6.645 1.918 1.00 0.00 H new ATOM 0 HA ARG A 9 9.681 6.357 -0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.831 4.180 -0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.396 4.431 0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.962 5.241 2.518 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.678 4.340 1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.524 2.422 2.545 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.998 2.686 1.634 1.00 0.00 H new ATOM 0 HE ARG A 9 9.814 4.146 4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.920 1.258 2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.146 0.870 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.385 3.637 5.737 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.407 2.211 5.526 1.00 0.00 H new ATOM 147 N GLY A 10 7.396 7.284 1.188 1.00 0.00 N ATOM 148 CA GLY A 10 6.048 7.818 1.242 1.00 0.00 C ATOM 149 C GLY A 10 5.443 7.726 2.625 1.00 0.00 C ATOM 150 O GLY A 10 6.127 7.378 3.583 1.00 0.00 O ATOM 0 H GLY A 10 7.924 7.356 2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.061 8.860 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.418 7.277 0.537 1.00 0.00 H new ATOM 154 N LYS A 11 4.163 8.054 2.720 1.00 0.00 N ATOM 155 CA LYS A 11 3.433 7.993 3.980 1.00 0.00 C ATOM 156 C LYS A 11 2.573 6.739 4.025 1.00 0.00 C ATOM 157 O LYS A 11 2.653 5.960 4.971 1.00 0.00 O ATOM 158 CB LYS A 11 2.536 9.226 4.143 1.00 0.00 C ATOM 159 CG LYS A 11 3.287 10.528 4.369 1.00 0.00 C ATOM 160 CD LYS A 11 4.017 10.524 5.700 1.00 0.00 C ATOM 161 CE LYS A 11 4.452 11.921 6.103 1.00 0.00 C ATOM 162 NZ LYS A 11 3.296 12.849 6.238 1.00 0.00 N1+ ATOM 0 H LYS A 11 3.601 8.369 1.929 1.00 0.00 H new ATOM 0 HA LYS A 11 4.158 7.969 4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.916 9.329 3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.861 9.060 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.002 10.682 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.587 11.363 4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.368 10.108 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.890 9.875 5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.991 11.874 7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.146 12.313 5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.544 13.620 6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.060 13.247 5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.476 12.330 6.611 1.00 0.00 H new ATOM 176 N MET A 12 1.794 6.547 2.954 1.00 0.00 N ATOM 177 CA MET A 12 0.822 5.448 2.828 1.00 0.00 C ATOM 178 C MET A 12 0.124 5.114 4.158 1.00 0.00 C ATOM 179 O MET A 12 -0.035 5.978 5.027 1.00 0.00 O ATOM 180 CB MET A 12 1.526 4.201 2.281 1.00 0.00 C ATOM 181 CG MET A 12 2.363 4.467 1.040 1.00 0.00 C ATOM 182 SD MET A 12 3.012 2.956 0.295 1.00 0.00 S ATOM 183 CE MET A 12 3.758 2.158 1.715 1.00 0.00 C ATOM 0 H MET A 12 1.819 7.158 2.138 1.00 0.00 H new ATOM 0 HA MET A 12 0.047 5.779 2.137 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.167 3.786 3.059 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.777 3.444 2.048 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.757 4.997 0.305 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.193 5.123 1.301 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.393 1.338 1.380 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.360 2.882 2.265 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.976 1.768 2.366 1.00 0.00 H new ATOM 193 N SER A 13 -0.367 3.888 4.277 1.00 0.00 N ATOM 194 CA SER A 13 -0.945 3.412 5.524 1.00 0.00 C ATOM 195 C SER A 13 -0.202 2.173 6.020 1.00 0.00 C ATOM 196 O SER A 13 0.619 1.601 5.297 1.00 0.00 O ATOM 197 CB SER A 13 -2.435 3.104 5.339 1.00 0.00 C ATOM 198 OG SER A 13 -3.149 4.260 4.929 1.00 0.00 O ATOM 0 H SER A 13 -0.376 3.203 3.521 1.00 0.00 H new ATOM 0 HA SER A 13 -0.844 4.197 6.273 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.557 2.315 4.597 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.851 2.729 6.274 1.00 0.00 H new ATOM 0 HG SER A 13 -4.096 4.036 4.816 1.00 0.00 H new ATOM 204 N SER A 14 -0.510 1.758 7.244 1.00 0.00 N ATOM 205 CA SER A 14 0.130 0.608 7.875 1.00 0.00 C ATOM 206 C SER A 14 -0.045 -0.662 7.038 1.00 0.00 C ATOM 207 O SER A 14 0.820 -1.540 7.029 1.00 0.00 O ATOM 208 CB SER A 14 -0.481 0.408 9.257 1.00 0.00 C ATOM 209 OG SER A 14 -0.725 1.662 9.874 1.00 0.00 O ATOM 0 H SER A 14 -1.213 2.211 7.829 1.00 0.00 H new ATOM 0 HA SER A 14 1.200 0.802 7.956 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.413 -0.151 9.173 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.191 -0.185 9.877 1.00 0.00 H new ATOM 0 HG SER A 14 -1.403 1.556 10.574 1.00 0.00 H new ATOM 215 N TYR A 15 -1.168 -0.746 6.332 1.00 0.00 N ATOM 216 CA TYR A 15 -1.471 -1.891 5.485 1.00 0.00 C ATOM 217 C TYR A 15 -0.404 -2.034 4.395 1.00 0.00 C ATOM 218 O TYR A 15 0.172 -3.110 4.190 1.00 0.00 O ATOM 219 CB TYR A 15 -2.851 -1.692 4.852 1.00 0.00 C ATOM 220 CG TYR A 15 -3.600 -2.969 4.546 1.00 0.00 C ATOM 221 CD1 TYR A 15 -2.936 -4.173 4.355 1.00 0.00 C ATOM 222 CD2 TYR A 15 -4.984 -2.960 4.444 1.00 0.00 C ATOM 223 CE1 TYR A 15 -3.630 -5.333 4.069 1.00 0.00 C ATOM 224 CE2 TYR A 15 -5.684 -4.114 4.161 1.00 0.00 C ATOM 225 CZ TYR A 15 -5.005 -5.297 3.972 1.00 0.00 C ATOM 226 OH TYR A 15 -5.707 -6.444 3.681 1.00 0.00 O ATOM 0 H TYR A 15 -1.890 -0.025 6.332 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.475 -2.801 6.085 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.458 -1.083 5.522 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.733 -1.127 3.928 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.859 -4.204 4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.521 -2.034 4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.099 -6.262 3.922 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.761 -4.090 4.088 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.666 -6.242 3.651 1.00 0.00 H new ATOM 236 N ALA A 16 -0.130 -0.930 3.713 1.00 0.00 N ATOM 237 CA ALA A 16 0.886 -0.906 2.675 1.00 0.00 C ATOM 238 C ALA A 16 2.277 -1.101 3.267 1.00 0.00 C ATOM 239 O ALA A 16 3.154 -1.663 2.619 1.00 0.00 O ATOM 240 CB ALA A 16 0.819 0.392 1.885 1.00 0.00 C ATOM 0 H ALA A 16 -0.600 -0.037 3.862 1.00 0.00 H new ATOM 0 HA ALA A 16 0.689 -1.734 1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.589 0.388 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.162 0.484 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.982 1.235 2.556 1.00 0.00 H new ATOM 246 N PHE A 17 2.468 -0.641 4.500 1.00 0.00 N ATOM 247 CA PHE A 17 3.739 -0.826 5.199 1.00 0.00 C ATOM 248 C PHE A 17 4.026 -2.303 5.441 1.00 0.00 C ATOM 249 O PHE A 17 5.182 -2.731 5.405 1.00 0.00 O ATOM 250 CB PHE A 17 3.744 -0.067 6.525 1.00 0.00 C ATOM 251 CG PHE A 17 4.432 1.259 6.444 1.00 0.00 C ATOM 252 CD1 PHE A 17 3.796 2.355 5.891 1.00 0.00 C ATOM 253 CD2 PHE A 17 5.725 1.403 6.917 1.00 0.00 C ATOM 254 CE1 PHE A 17 4.437 3.574 5.810 1.00 0.00 C ATOM 255 CE2 PHE A 17 6.372 2.619 6.838 1.00 0.00 C ATOM 256 CZ PHE A 17 5.726 3.708 6.283 1.00 0.00 C ATOM 0 H PHE A 17 1.761 -0.138 5.036 1.00 0.00 H new ATOM 0 HA PHE A 17 4.526 -0.424 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.716 0.084 6.853 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.234 -0.677 7.283 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.787 2.256 5.519 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.232 0.555 7.352 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.930 4.423 5.376 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.381 2.720 7.209 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.229 4.661 6.220 1.00 0.00 H new ATOM 266 N PHE A 18 2.973 -3.073 5.684 1.00 0.00 N ATOM 267 CA PHE A 18 3.093 -4.518 5.843 1.00 0.00 C ATOM 268 C PHE A 18 3.739 -5.134 4.605 1.00 0.00 C ATOM 269 O PHE A 18 4.740 -5.846 4.701 1.00 0.00 O ATOM 270 CB PHE A 18 1.714 -5.132 6.091 1.00 0.00 C ATOM 271 CG PHE A 18 1.717 -6.629 6.216 1.00 0.00 C ATOM 272 CD1 PHE A 18 2.269 -7.248 7.326 1.00 0.00 C ATOM 273 CD2 PHE A 18 1.154 -7.415 5.224 1.00 0.00 C ATOM 274 CE1 PHE A 18 2.263 -8.624 7.442 1.00 0.00 C ATOM 275 CE2 PHE A 18 1.145 -8.789 5.334 1.00 0.00 C ATOM 276 CZ PHE A 18 1.699 -9.396 6.444 1.00 0.00 C ATOM 0 H PHE A 18 2.021 -2.719 5.776 1.00 0.00 H new ATOM 0 HA PHE A 18 3.729 -4.729 6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.297 -4.704 7.003 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.051 -4.849 5.274 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.709 -6.648 8.109 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.717 -6.946 4.355 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.698 -9.096 8.311 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.705 -9.391 4.552 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.691 -10.472 6.532 1.00 0.00 H new ATOM 286 N VAL A 19 3.174 -4.839 3.443 1.00 0.00 N ATOM 287 CA VAL A 19 3.743 -5.301 2.180 1.00 0.00 C ATOM 288 C VAL A 19 5.097 -4.641 1.926 1.00 0.00 C ATOM 289 O VAL A 19 6.037 -5.282 1.451 1.00 0.00 O ATOM 290 CB VAL A 19 2.786 -5.013 1.002 1.00 0.00 C ATOM 291 CG1 VAL A 19 3.496 -5.110 -0.341 1.00 0.00 C ATOM 292 CG2 VAL A 19 1.614 -5.977 1.043 1.00 0.00 C ATOM 0 H VAL A 19 2.324 -4.283 3.346 1.00 0.00 H new ATOM 0 HA VAL A 19 3.885 -6.379 2.254 1.00 0.00 H new ATOM 0 HB VAL A 19 2.423 -3.991 1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.788 -4.901 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.309 -4.385 -0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.900 -6.114 -0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.943 -5.769 0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.982 -7.000 0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.075 -5.855 1.983 1.00 0.00 H new ATOM 302 N GLN A 20 5.182 -3.364 2.276 1.00 0.00 N ATOM 303 CA GLN A 20 6.388 -2.566 2.091 1.00 0.00 C ATOM 304 C GLN A 20 7.619 -3.269 2.641 1.00 0.00 C ATOM 305 O GLN A 20 8.535 -3.593 1.888 1.00 0.00 O ATOM 306 CB GLN A 20 6.225 -1.221 2.792 1.00 0.00 C ATOM 307 CG GLN A 20 7.411 -0.292 2.632 1.00 0.00 C ATOM 308 CD GLN A 20 7.488 0.716 3.755 1.00 0.00 C ATOM 309 OE1 GLN A 20 8.146 0.481 4.767 1.00 0.00 O ATOM 310 NE2 GLN A 20 6.804 1.837 3.597 1.00 0.00 N ATOM 0 H GLN A 20 4.410 -2.849 2.699 1.00 0.00 H new ATOM 0 HA GLN A 20 6.529 -2.421 1.020 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.335 -0.726 2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.055 -1.395 3.854 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.330 -0.877 2.605 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.338 0.231 1.678 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.271 1.993 2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.810 2.546 4.331 1.00 0.00 H new ATOM 319 N THR A 21 7.630 -3.514 3.945 1.00 0.00 N ATOM 320 CA THR A 21 8.803 -4.070 4.604 1.00 0.00 C ATOM 321 C THR A 21 9.087 -5.504 4.147 1.00 0.00 C ATOM 322 O THR A 21 10.244 -5.893 4.006 1.00 0.00 O ATOM 323 CB THR A 21 8.669 -4.020 6.145 1.00 0.00 C ATOM 324 OG1 THR A 21 9.839 -4.570 6.766 1.00 0.00 O ATOM 325 CG2 THR A 21 7.436 -4.773 6.624 1.00 0.00 C ATOM 0 H THR A 21 6.841 -3.336 4.566 1.00 0.00 H new ATOM 0 HA THR A 21 9.648 -3.446 4.312 1.00 0.00 H new ATOM 0 HB THR A 21 8.563 -2.973 6.430 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.741 -4.531 7.740 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.375 -4.716 7.711 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.544 -4.326 6.186 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.506 -5.817 6.318 1.00 0.00 H new ATOM 333 N CYS A 22 8.038 -6.274 3.890 1.00 0.00 N ATOM 334 CA CYS A 22 8.200 -7.668 3.498 1.00 0.00 C ATOM 335 C CYS A 22 8.763 -7.771 2.080 1.00 0.00 C ATOM 336 O CYS A 22 9.680 -8.552 1.819 1.00 0.00 O ATOM 337 CB CYS A 22 6.862 -8.400 3.609 1.00 0.00 C ATOM 338 SG CYS A 22 6.161 -8.386 5.275 1.00 0.00 S ATOM 0 H CYS A 22 7.070 -5.959 3.946 1.00 0.00 H new ATOM 0 HA CYS A 22 8.913 -8.142 4.173 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.150 -7.943 2.921 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.996 -9.434 3.290 1.00 0.00 H new ATOM 0 HG CYS A 22 5.397 -7.343 5.416 1.00 0.00 H new ATOM 344 N ARG A 23 8.230 -6.961 1.172 1.00 0.00 N ATOM 345 CA ARG A 23 8.694 -6.949 -0.209 1.00 0.00 C ATOM 346 C ARG A 23 10.086 -6.330 -0.295 1.00 0.00 C ATOM 347 O ARG A 23 10.894 -6.703 -1.148 1.00 0.00 O ATOM 348 CB ARG A 23 7.679 -6.210 -1.110 1.00 0.00 C ATOM 349 CG ARG A 23 8.284 -5.185 -2.064 1.00 0.00 C ATOM 350 CD ARG A 23 8.361 -3.803 -1.430 1.00 0.00 C ATOM 351 NE ARG A 23 9.259 -2.908 -2.162 1.00 0.00 N ATOM 352 CZ ARG A 23 9.956 -1.929 -1.589 1.00 0.00 C ATOM 353 NH1 ARG A 23 9.793 -1.667 -0.298 1.00 0.00 N1+ ATOM 354 NH2 ARG A 23 10.807 -1.204 -2.304 1.00 0.00 N ATOM 0 H ARG A 23 7.475 -6.304 1.369 1.00 0.00 H new ATOM 0 HA ARG A 23 8.768 -7.975 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.132 -6.949 -1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.952 -5.706 -0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.283 -5.507 -2.358 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.685 -5.136 -2.973 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.363 -3.365 -1.395 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.704 -3.896 -0.400 1.00 0.00 H new ATOM 0 HE ARG A 23 9.356 -3.042 -3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.134 -2.216 0.254 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.327 -0.917 0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.930 -1.395 -3.298 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.338 -0.455 -1.859 1.00 0.00 H new ATOM 368 N GLU A 24 10.367 -5.412 0.618 1.00 0.00 N ATOM 369 CA GLU A 24 11.636 -4.710 0.631 1.00 0.00 C ATOM 370 C GLU A 24 12.740 -5.602 1.180 1.00 0.00 C ATOM 371 O GLU A 24 13.825 -5.671 0.610 1.00 0.00 O ATOM 372 CB GLU A 24 11.510 -3.429 1.450 1.00 0.00 C ATOM 373 CG GLU A 24 12.754 -2.561 1.450 1.00 0.00 C ATOM 374 CD GLU A 24 12.478 -1.165 1.965 1.00 0.00 C ATOM 375 OE1 GLU A 24 11.642 -0.458 1.350 1.00 0.00 O1- ATOM 376 OE2 GLU A 24 13.092 -0.764 2.977 1.00 0.00 O ATOM 0 H GLU A 24 9.727 -5.137 1.363 1.00 0.00 H new ATOM 0 HA GLU A 24 11.903 -4.445 -0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.675 -2.846 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.265 -3.693 2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.521 -3.029 2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.153 -2.500 0.437 1.00 0.00 H new ATOM 383 N GLU A 25 12.449 -6.304 2.271 1.00 0.00 N ATOM 384 CA GLU A 25 13.409 -7.229 2.865 1.00 0.00 C ATOM 385 C GLU A 25 13.791 -8.321 1.870 1.00 0.00 C ATOM 386 O GLU A 25 14.962 -8.688 1.755 1.00 0.00 O ATOM 387 CB GLU A 25 12.835 -7.863 4.137 1.00 0.00 C ATOM 388 CG GLU A 25 13.724 -8.944 4.728 1.00 0.00 C ATOM 389 CD GLU A 25 13.194 -9.507 6.028 1.00 0.00 C ATOM 390 OE1 GLU A 25 11.983 -9.794 6.113 1.00 0.00 O1- ATOM 391 OE2 GLU A 25 13.989 -9.664 6.979 1.00 0.00 O ATOM 0 H GLU A 25 11.556 -6.250 2.762 1.00 0.00 H new ATOM 0 HA GLU A 25 14.303 -6.663 3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.678 -7.084 4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.858 -8.290 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.830 -9.753 4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.720 -8.534 4.896 1.00 0.00 H new ATOM 398 N HIS A 26 12.797 -8.820 1.142 1.00 0.00 N ATOM 399 CA HIS A 26 13.012 -9.901 0.188 1.00 0.00 C ATOM 400 C HIS A 26 13.993 -9.482 -0.904 1.00 0.00 C ATOM 401 O HIS A 26 14.825 -10.277 -1.330 1.00 0.00 O ATOM 402 CB HIS A 26 11.683 -10.341 -0.435 1.00 0.00 C ATOM 403 CG HIS A 26 11.790 -11.596 -1.245 1.00 0.00 C ATOM 404 ND1 HIS A 26 11.373 -11.691 -2.556 1.00 0.00 N ATOM 405 CD2 HIS A 26 12.250 -12.824 -0.913 1.00 0.00 C ATOM 406 CE1 HIS A 26 11.570 -12.921 -2.989 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.105 -13.628 -2.015 1.00 0.00 N ATOM 0 H HIS A 26 11.833 -8.492 1.195 1.00 0.00 H new ATOM 0 HA HIS A 26 13.442 -10.744 0.729 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.951 -10.491 0.358 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.305 -9.539 -1.070 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.657 -13.117 0.044 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.332 -13.287 -3.977 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.368 -14.612 -2.071 1.00 0.00 H new ATOM 416 N LYS A 27 13.898 -8.232 -1.344 1.00 0.00 N ATOM 417 CA LYS A 27 14.791 -7.719 -2.379 1.00 0.00 C ATOM 418 C LYS A 27 16.098 -7.210 -1.782 1.00 0.00 C ATOM 419 O LYS A 27 17.138 -7.232 -2.436 1.00 0.00 O ATOM 420 CB LYS A 27 14.113 -6.604 -3.176 1.00 0.00 C ATOM 421 CG LYS A 27 13.400 -7.102 -4.421 1.00 0.00 C ATOM 422 CD LYS A 27 12.609 -5.993 -5.094 1.00 0.00 C ATOM 423 CE LYS A 27 12.270 -6.344 -6.535 1.00 0.00 C ATOM 424 NZ LYS A 27 13.466 -6.282 -7.420 1.00 0.00 N1+ ATOM 0 H LYS A 27 13.214 -7.557 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 27 15.020 -8.545 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.395 -6.094 -2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.862 -5.867 -3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.130 -7.506 -5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.729 -7.918 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.690 -5.811 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.185 -5.068 -5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.842 -7.346 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.509 -5.658 -6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.175 -6.428 -8.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.919 -5.351 -7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.140 -7.024 -7.145 1.00 0.00 H new ATOM 438 N LYS A 28 16.034 -6.746 -0.543 1.00 0.00 N ATOM 439 CA LYS A 28 17.214 -6.283 0.169 1.00 0.00 C ATOM 440 C LYS A 28 18.224 -7.415 0.318 1.00 0.00 C ATOM 441 O LYS A 28 19.424 -7.230 0.114 1.00 0.00 O ATOM 442 CB LYS A 28 16.793 -5.769 1.546 1.00 0.00 C ATOM 443 CG LYS A 28 17.904 -5.120 2.356 1.00 0.00 C ATOM 444 CD LYS A 28 17.435 -4.793 3.768 1.00 0.00 C ATOM 445 CE LYS A 28 16.221 -3.870 3.768 1.00 0.00 C ATOM 446 NZ LYS A 28 16.543 -2.523 3.226 1.00 0.00 N1+ ATOM 0 H LYS A 28 15.169 -6.680 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 28 17.685 -5.478 -0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.988 -5.046 1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.385 -6.602 2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.764 -5.789 2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.235 -4.208 1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.188 -5.717 4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.248 -4.322 4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.425 -4.319 3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.842 -3.770 4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.703 -1.913 3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.320 -2.104 3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.832 -2.609 2.231 1.00 0.00 H new ATOM 460 N LYS A 29 17.719 -8.591 0.664 1.00 0.00 N ATOM 461 CA LYS A 29 18.562 -9.752 0.915 1.00 0.00 C ATOM 462 C LYS A 29 18.618 -10.677 -0.300 1.00 0.00 C ATOM 463 O LYS A 29 19.317 -11.691 -0.290 1.00 0.00 O ATOM 464 CB LYS A 29 18.032 -10.497 2.134 1.00 0.00 C ATOM 465 CG LYS A 29 18.057 -9.644 3.391 1.00 0.00 C ATOM 466 CD LYS A 29 17.320 -10.300 4.544 1.00 0.00 C ATOM 467 CE LYS A 29 17.370 -9.423 5.782 1.00 0.00 C ATOM 468 NZ LYS A 29 16.616 -10.008 6.917 1.00 0.00 N1+ ATOM 0 H LYS A 29 16.721 -8.767 0.778 1.00 0.00 H new ATOM 0 HA LYS A 29 19.580 -9.412 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.010 -10.824 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.629 -11.395 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 29 19.091 -9.459 3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.607 -8.674 3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.283 -10.482 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.766 -11.271 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.409 -9.274 6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.962 -8.441 5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.929 -9.568 7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.599 -9.835 6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.790 -11.033 6.958 1.00 0.00 H new ATOM 482 N HIS A 30 17.870 -10.325 -1.333 1.00 0.00 N ATOM 483 CA HIS A 30 17.868 -11.057 -2.598 1.00 0.00 C ATOM 484 C HIS A 30 17.566 -10.076 -3.721 1.00 0.00 C ATOM 485 O HIS A 30 16.413 -9.918 -4.123 1.00 0.00 O ATOM 486 CB HIS A 30 16.822 -12.180 -2.627 1.00 0.00 C ATOM 487 CG HIS A 30 17.047 -13.300 -1.659 1.00 0.00 C ATOM 488 ND1 HIS A 30 17.921 -14.337 -1.892 1.00 0.00 N ATOM 489 CD2 HIS A 30 16.477 -13.554 -0.458 1.00 0.00 C ATOM 490 CE1 HIS A 30 17.874 -15.183 -0.881 1.00 0.00 C ATOM 491 NE2 HIS A 30 17.006 -14.732 0.003 1.00 0.00 N ATOM 0 H HIS A 30 17.243 -9.521 -1.322 1.00 0.00 H new ATOM 0 HA HIS A 30 18.848 -11.519 -2.719 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.842 -11.745 -2.430 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.789 -12.595 -3.634 1.00 0.00 H new ATOM 0 HD2 HIS A 30 15.742 -12.942 0.044 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.450 -16.092 -0.792 1.00 0.00 H new ATOM 0 HE2 HIS A 30 16.767 -15.185 0.885 1.00 0.00 H new ATOM 500 N PRO A 31 18.592 -9.391 -4.232 1.00 0.00 N ATOM 501 CA PRO A 31 18.414 -8.284 -5.178 1.00 0.00 C ATOM 502 C PRO A 31 17.818 -8.709 -6.522 1.00 0.00 C ATOM 503 O PRO A 31 17.257 -7.884 -7.248 1.00 0.00 O ATOM 504 CB PRO A 31 19.832 -7.738 -5.359 1.00 0.00 C ATOM 505 CG PRO A 31 20.729 -8.870 -5.001 1.00 0.00 C ATOM 506 CD PRO A 31 20.012 -9.638 -3.929 1.00 0.00 C ATOM 0 HA PRO A 31 17.701 -7.553 -4.797 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.001 -7.410 -6.385 1.00 0.00 H new ATOM 0 HB3 PRO A 31 20.008 -6.876 -4.716 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.927 -9.501 -5.868 1.00 0.00 H new ATOM 0 HG3 PRO A 31 21.693 -8.507 -4.644 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.253 -10.700 -3.965 1.00 0.00 H new ATOM 0 HD3 PRO A 31 20.279 -9.284 -2.933 1.00 0.00 H new ATOM 514 N ASP A 32 17.929 -9.991 -6.850 1.00 0.00 N ATOM 515 CA ASP A 32 17.390 -10.499 -8.110 1.00 0.00 C ATOM 516 C ASP A 32 16.033 -11.156 -7.898 1.00 0.00 C ATOM 517 O ASP A 32 15.383 -11.579 -8.856 1.00 0.00 O ATOM 518 CB ASP A 32 18.342 -11.513 -8.751 1.00 0.00 C ATOM 519 CG ASP A 32 19.716 -10.948 -9.030 1.00 0.00 C ATOM 520 OD1 ASP A 32 19.878 -10.212 -10.027 1.00 0.00 O ATOM 521 OD2 ASP A 32 20.650 -11.261 -8.264 1.00 0.00 O1- ATOM 0 H ASP A 32 18.383 -10.694 -6.268 1.00 0.00 H new ATOM 0 HA ASP A 32 17.276 -9.645 -8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.438 -12.377 -8.093 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.907 -11.870 -9.684 1.00 0.00 H new ATOM 526 N ALA A 33 15.606 -11.238 -6.646 1.00 0.00 N ATOM 527 CA ALA A 33 14.356 -11.903 -6.320 1.00 0.00 C ATOM 528 C ALA A 33 13.173 -10.972 -6.532 1.00 0.00 C ATOM 529 O ALA A 33 12.803 -10.189 -5.651 1.00 0.00 O ATOM 530 CB ALA A 33 14.375 -12.424 -4.897 1.00 0.00 C ATOM 0 H ALA A 33 16.105 -10.854 -5.844 1.00 0.00 H new ATOM 0 HA ALA A 33 14.245 -12.753 -6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.428 -12.917 -4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.191 -13.137 -4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.519 -11.593 -4.207 1.00 0.00 H new ATOM 536 N SER A 34 12.601 -11.054 -7.717 1.00 0.00 N ATOM 537 CA SER A 34 11.457 -10.246 -8.078 1.00 0.00 C ATOM 538 C SER A 34 10.195 -10.795 -7.433 1.00 0.00 C ATOM 539 O SER A 34 9.815 -11.938 -7.679 1.00 0.00 O ATOM 540 CB SER A 34 11.302 -10.240 -9.595 1.00 0.00 C ATOM 541 OG SER A 34 12.554 -10.020 -10.216 1.00 0.00 O ATOM 0 H SER A 34 12.917 -11.683 -8.455 1.00 0.00 H new ATOM 0 HA SER A 34 11.614 -9.228 -7.721 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.885 -11.190 -9.928 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.599 -9.462 -9.892 1.00 0.00 H new ATOM 0 HG SER A 34 12.960 -9.205 -9.854 1.00 0.00 H new ATOM 547 N VAL A 35 9.566 -10.003 -6.581 1.00 0.00 N ATOM 548 CA VAL A 35 8.276 -10.387 -6.041 1.00 0.00 C ATOM 549 C VAL A 35 7.203 -10.085 -7.078 1.00 0.00 C ATOM 550 O VAL A 35 7.298 -9.098 -7.806 1.00 0.00 O ATOM 551 CB VAL A 35 7.936 -9.668 -4.709 1.00 0.00 C ATOM 552 CG1 VAL A 35 9.109 -9.716 -3.745 1.00 0.00 C ATOM 553 CG2 VAL A 35 7.505 -8.232 -4.951 1.00 0.00 C ATOM 0 H VAL A 35 9.921 -9.105 -6.253 1.00 0.00 H new ATOM 0 HA VAL A 35 8.316 -11.453 -5.817 1.00 0.00 H new ATOM 0 HB VAL A 35 7.100 -10.200 -4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.841 -9.204 -2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.358 -10.754 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.971 -9.224 -4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.274 -7.756 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.312 -7.688 -5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.620 -8.220 -5.587 1.00 0.00 H new ATOM 563 N ASN A 36 6.214 -10.945 -7.172 1.00 0.00 N ATOM 564 CA ASN A 36 5.132 -10.736 -8.117 1.00 0.00 C ATOM 565 C ASN A 36 3.968 -10.069 -7.409 1.00 0.00 C ATOM 566 O ASN A 36 3.566 -10.515 -6.333 1.00 0.00 O ATOM 567 CB ASN A 36 4.683 -12.065 -8.734 1.00 0.00 C ATOM 568 CG ASN A 36 5.775 -12.736 -9.552 1.00 0.00 C ATOM 569 OD1 ASN A 36 5.909 -12.487 -10.750 1.00 0.00 O ATOM 570 ND2 ASN A 36 6.552 -13.605 -8.918 1.00 0.00 N ATOM 0 H ASN A 36 6.133 -11.793 -6.610 1.00 0.00 H new ATOM 0 HA ASN A 36 5.487 -10.093 -8.922 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.365 -12.740 -7.939 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.815 -11.890 -9.370 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.291 -14.093 -9.425 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.410 -13.785 -7.924 1.00 0.00 H new ATOM 577 N PHE A 37 3.451 -8.994 -8.001 1.00 0.00 N ATOM 578 CA PHE A 37 2.313 -8.269 -7.433 1.00 0.00 C ATOM 579 C PHE A 37 1.199 -9.230 -7.031 1.00 0.00 C ATOM 580 O PHE A 37 0.759 -9.228 -5.884 1.00 0.00 O ATOM 581 CB PHE A 37 1.764 -7.242 -8.428 1.00 0.00 C ATOM 582 CG PHE A 37 2.540 -5.956 -8.478 1.00 0.00 C ATOM 583 CD1 PHE A 37 2.302 -4.955 -7.550 1.00 0.00 C ATOM 584 CD2 PHE A 37 3.498 -5.744 -9.454 1.00 0.00 C ATOM 585 CE1 PHE A 37 3.007 -3.768 -7.594 1.00 0.00 C ATOM 586 CE2 PHE A 37 4.205 -4.558 -9.504 1.00 0.00 C ATOM 587 CZ PHE A 37 3.960 -3.568 -8.571 1.00 0.00 C ATOM 0 H PHE A 37 3.802 -8.604 -8.876 1.00 0.00 H new ATOM 0 HA PHE A 37 2.670 -7.747 -6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.754 -7.686 -9.423 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.729 -7.019 -8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.556 -5.105 -6.783 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.695 -6.514 -10.185 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.812 -2.997 -6.864 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.949 -4.405 -10.272 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.513 -2.641 -8.607 1.00 0.00 H new ATOM 597 N SER A 38 0.779 -10.070 -7.971 1.00 0.00 N ATOM 598 CA SER A 38 -0.300 -11.026 -7.745 1.00 0.00 C ATOM 599 C SER A 38 0.002 -11.959 -6.571 1.00 0.00 C ATOM 600 O SER A 38 -0.817 -12.120 -5.663 1.00 0.00 O ATOM 601 CB SER A 38 -0.528 -11.831 -9.025 1.00 0.00 C ATOM 602 OG SER A 38 0.708 -12.275 -9.566 1.00 0.00 O ATOM 0 H SER A 38 1.176 -10.108 -8.910 1.00 0.00 H new ATOM 0 HA SER A 38 -1.204 -10.474 -7.487 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.166 -12.688 -8.812 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.052 -11.217 -9.758 1.00 0.00 H new ATOM 0 HG SER A 38 0.541 -12.789 -10.383 1.00 0.00 H new ATOM 608 N GLU A 39 1.187 -12.556 -6.593 1.00 0.00 N ATOM 609 CA GLU A 39 1.600 -13.501 -5.562 1.00 0.00 C ATOM 610 C GLU A 39 1.650 -12.838 -4.195 1.00 0.00 C ATOM 611 O GLU A 39 1.088 -13.336 -3.215 1.00 0.00 O ATOM 612 CB GLU A 39 2.987 -14.053 -5.886 1.00 0.00 C ATOM 613 CG GLU A 39 3.054 -14.841 -7.178 1.00 0.00 C ATOM 614 CD GLU A 39 2.249 -16.120 -7.110 1.00 0.00 C ATOM 615 OE1 GLU A 39 2.640 -17.032 -6.356 1.00 0.00 O ATOM 616 OE2 GLU A 39 1.230 -16.226 -7.823 1.00 0.00 O1- ATOM 0 H GLU A 39 1.885 -12.401 -7.320 1.00 0.00 H new ATOM 0 HA GLU A 39 0.867 -14.307 -5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.692 -13.224 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.312 -14.693 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.684 -14.224 -7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.094 -15.080 -7.403 1.00 0.00 H new ATOM 623 N PHE A 40 2.327 -11.706 -4.145 1.00 0.00 N ATOM 624 CA PHE A 40 2.632 -11.050 -2.893 1.00 0.00 C ATOM 625 C PHE A 40 1.380 -10.459 -2.253 1.00 0.00 C ATOM 626 O PHE A 40 1.131 -10.672 -1.068 1.00 0.00 O ATOM 627 CB PHE A 40 3.676 -9.958 -3.126 1.00 0.00 C ATOM 628 CG PHE A 40 4.484 -9.637 -1.909 1.00 0.00 C ATOM 629 CD1 PHE A 40 5.589 -10.405 -1.585 1.00 0.00 C ATOM 630 CD2 PHE A 40 4.143 -8.579 -1.088 1.00 0.00 C ATOM 631 CE1 PHE A 40 6.341 -10.121 -0.465 1.00 0.00 C ATOM 632 CE2 PHE A 40 4.891 -8.291 0.033 1.00 0.00 C ATOM 633 CZ PHE A 40 5.989 -9.064 0.345 1.00 0.00 C ATOM 0 H PHE A 40 2.679 -11.219 -4.969 1.00 0.00 H new ATOM 0 HA PHE A 40 3.033 -11.795 -2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.347 -10.272 -3.926 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.174 -9.053 -3.468 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.865 -11.236 -2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.282 -7.972 -1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.203 -10.725 -0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.617 -7.460 0.667 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.574 -8.841 1.225 1.00 0.00 H new ATOM 643 N SER A 41 0.587 -9.745 -3.043 1.00 0.00 N ATOM 644 CA SER A 41 -0.576 -9.038 -2.524 1.00 0.00 C ATOM 645 C SER A 41 -1.585 -9.994 -1.898 1.00 0.00 C ATOM 646 O SER A 41 -2.043 -9.775 -0.774 1.00 0.00 O ATOM 647 CB SER A 41 -1.243 -8.229 -3.640 1.00 0.00 C ATOM 648 OG SER A 41 -1.567 -9.054 -4.747 1.00 0.00 O ATOM 0 H SER A 41 0.729 -9.641 -4.048 1.00 0.00 H new ATOM 0 HA SER A 41 -0.230 -8.361 -1.743 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.148 -7.755 -3.259 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.576 -7.429 -3.962 1.00 0.00 H new ATOM 0 HG SER A 41 -0.783 -9.145 -5.328 1.00 0.00 H new ATOM 654 N LYS A 42 -1.908 -11.063 -2.616 1.00 0.00 N ATOM 655 CA LYS A 42 -2.935 -11.993 -2.180 1.00 0.00 C ATOM 656 C LYS A 42 -2.590 -12.642 -0.840 1.00 0.00 C ATOM 657 O LYS A 42 -3.382 -12.585 0.099 1.00 0.00 O ATOM 658 CB LYS A 42 -3.176 -13.068 -3.239 1.00 0.00 C ATOM 659 CG LYS A 42 -4.206 -14.103 -2.813 1.00 0.00 C ATOM 660 CD LYS A 42 -4.531 -15.068 -3.940 1.00 0.00 C ATOM 661 CE LYS A 42 -5.291 -16.288 -3.441 1.00 0.00 C ATOM 662 NZ LYS A 42 -6.541 -15.925 -2.722 1.00 0.00 N1+ ATOM 0 H LYS A 42 -1.470 -11.305 -3.505 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.850 -11.417 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.507 -12.593 -4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.234 -13.570 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.830 -14.659 -1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.117 -13.599 -2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.124 -14.555 -4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.607 -15.388 -4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.536 -16.931 -4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.648 -16.866 -2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.180 -16.745 -2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.311 -15.640 -1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.007 -15.136 -3.213 1.00 0.00 H new ATOM 676 N LYS A 43 -1.408 -13.241 -0.736 1.00 0.00 N ATOM 677 CA LYS A 43 -1.060 -13.973 0.476 1.00 0.00 C ATOM 678 C LYS A 43 -0.859 -13.031 1.661 1.00 0.00 C ATOM 679 O LYS A 43 -1.115 -13.403 2.807 1.00 0.00 O ATOM 680 CB LYS A 43 0.180 -14.851 0.265 1.00 0.00 C ATOM 681 CG LYS A 43 1.447 -14.100 -0.112 1.00 0.00 C ATOM 682 CD LYS A 43 2.613 -15.063 -0.275 1.00 0.00 C ATOM 683 CE LYS A 43 3.890 -14.357 -0.708 1.00 0.00 C ATOM 684 NZ LYS A 43 5.009 -15.320 -0.915 1.00 0.00 N1+ ATOM 0 H LYS A 43 -0.689 -13.235 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.900 -14.628 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.368 -15.413 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.038 -15.579 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.288 -13.552 -1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.682 -13.363 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.789 -15.580 0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.353 -15.823 -1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.707 -13.808 -1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.175 -13.625 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.862 -14.803 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.200 -15.826 -0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.747 -16.004 -1.654 1.00 0.00 H new ATOM 698 N CYS A 44 -0.421 -11.812 1.389 1.00 0.00 N ATOM 699 CA CYS A 44 -0.197 -10.837 2.449 1.00 0.00 C ATOM 700 C CYS A 44 -1.511 -10.232 2.939 1.00 0.00 C ATOM 701 O CYS A 44 -1.701 -10.053 4.142 1.00 0.00 O ATOM 702 CB CYS A 44 0.744 -9.734 1.971 1.00 0.00 C ATOM 703 SG CYS A 44 2.390 -10.329 1.530 1.00 0.00 S ATOM 0 H CYS A 44 -0.214 -11.474 0.449 1.00 0.00 H new ATOM 0 HA CYS A 44 0.266 -11.360 3.286 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.302 -9.240 1.106 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.837 -8.982 2.755 1.00 0.00 H new ATOM 0 HG CYS A 44 2.410 -10.656 0.272 1.00 0.00 H new ATOM 709 N SER A 45 -2.418 -9.934 2.015 1.00 0.00 N ATOM 710 CA SER A 45 -3.689 -9.309 2.370 1.00 0.00 C ATOM 711 C SER A 45 -4.520 -10.223 3.259 1.00 0.00 C ATOM 712 O SER A 45 -4.970 -9.815 4.330 1.00 0.00 O ATOM 713 CB SER A 45 -4.472 -8.928 1.110 1.00 0.00 C ATOM 714 OG SER A 45 -4.570 -10.018 0.212 1.00 0.00 O ATOM 0 H SER A 45 -2.299 -10.114 1.018 1.00 0.00 H new ATOM 0 HA SER A 45 -3.471 -8.400 2.931 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.471 -8.593 1.388 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.982 -8.090 0.615 1.00 0.00 H new ATOM 0 HG SER A 45 -3.750 -10.078 -0.321 1.00 0.00 H new ATOM 720 N GLU A 46 -4.703 -11.462 2.821 1.00 0.00 N ATOM 721 CA GLU A 46 -5.465 -12.438 3.587 1.00 0.00 C ATOM 722 C GLU A 46 -4.827 -12.668 4.952 1.00 0.00 C ATOM 723 O GLU A 46 -5.524 -12.872 5.946 1.00 0.00 O ATOM 724 CB GLU A 46 -5.578 -13.753 2.815 1.00 0.00 C ATOM 725 CG GLU A 46 -6.316 -13.609 1.493 1.00 0.00 C ATOM 726 CD GLU A 46 -6.540 -14.934 0.796 1.00 0.00 C ATOM 727 OE1 GLU A 46 -7.407 -15.711 1.252 1.00 0.00 O ATOM 728 OE2 GLU A 46 -5.867 -15.202 -0.221 1.00 0.00 O1- ATOM 0 H GLU A 46 -4.333 -11.815 1.938 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.469 -12.044 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.578 -14.143 2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.094 -14.487 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.279 -13.130 1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.749 -12.950 0.836 1.00 0.00 H new ATOM 735 N ARG A 47 -3.501 -12.598 5.001 1.00 0.00 N ATOM 736 CA ARG A 47 -2.780 -12.750 6.255 1.00 0.00 C ATOM 737 C ARG A 47 -3.069 -11.572 7.181 1.00 0.00 C ATOM 738 O ARG A 47 -3.396 -11.770 8.349 1.00 0.00 O ATOM 739 CB ARG A 47 -1.276 -12.871 5.996 1.00 0.00 C ATOM 740 CG ARG A 47 -0.463 -13.213 7.235 1.00 0.00 C ATOM 741 CD ARG A 47 0.973 -13.552 6.871 1.00 0.00 C ATOM 742 NE ARG A 47 1.033 -14.626 5.878 1.00 0.00 N ATOM 743 CZ ARG A 47 2.157 -15.191 5.442 1.00 0.00 C ATOM 744 NH1 ARG A 47 3.336 -14.834 5.939 1.00 0.00 N1+ ATOM 745 NH2 ARG A 47 2.087 -16.133 4.511 1.00 0.00 N ATOM 0 H ARG A 47 -2.907 -12.437 4.188 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.121 -13.664 6.742 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.108 -13.638 5.240 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.912 -11.931 5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.477 -12.371 7.927 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.919 -14.057 7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.470 -12.664 6.480 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.516 -13.852 7.767 1.00 0.00 H new ATOM 0 HE ARG A 47 0.152 -14.965 5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.388 -14.119 6.664 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.189 -15.275 5.596 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.180 -16.416 4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.940 -16.575 4.167 1.00 0.00 H new ATOM 759 N TRP A 48 -2.976 -10.355 6.648 1.00 0.00 N ATOM 760 CA TRP A 48 -3.258 -9.146 7.423 1.00 0.00 C ATOM 761 C TRP A 48 -4.679 -9.183 7.972 1.00 0.00 C ATOM 762 O TRP A 48 -4.921 -8.830 9.125 1.00 0.00 O ATOM 763 CB TRP A 48 -3.061 -7.900 6.552 1.00 0.00 C ATOM 764 CG TRP A 48 -3.349 -6.604 7.260 1.00 0.00 C ATOM 765 CD1 TRP A 48 -4.560 -5.977 7.369 1.00 0.00 C ATOM 766 CD2 TRP A 48 -2.405 -5.770 7.941 1.00 0.00 C ATOM 767 NE1 TRP A 48 -4.424 -4.806 8.075 1.00 0.00 N ATOM 768 CE2 TRP A 48 -3.113 -4.657 8.437 1.00 0.00 C ATOM 769 CE3 TRP A 48 -1.031 -5.854 8.178 1.00 0.00 C ATOM 770 CZ2 TRP A 48 -2.493 -3.643 9.157 1.00 0.00 C ATOM 771 CZ3 TRP A 48 -0.417 -4.844 8.895 1.00 0.00 C ATOM 772 CH2 TRP A 48 -1.148 -3.751 9.375 1.00 0.00 C ATOM 0 H TRP A 48 -2.707 -10.179 5.680 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.563 -9.103 8.262 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.034 -7.883 6.189 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.707 -7.975 5.677 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.488 -6.348 6.960 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.177 -4.154 8.294 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.459 -6.692 7.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.054 -2.799 9.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.644 -4.899 9.088 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.638 -2.977 9.929 1.00 0.00 H new ATOM 783 N LYS A 49 -5.613 -9.625 7.143 1.00 0.00 N ATOM 784 CA LYS A 49 -7.009 -9.729 7.547 1.00 0.00 C ATOM 785 C LYS A 49 -7.159 -10.657 8.752 1.00 0.00 C ATOM 786 O LYS A 49 -8.011 -10.436 9.615 1.00 0.00 O ATOM 787 CB LYS A 49 -7.862 -10.235 6.381 1.00 0.00 C ATOM 788 CG LYS A 49 -7.826 -9.331 5.158 1.00 0.00 C ATOM 789 CD LYS A 49 -8.573 -9.948 3.988 1.00 0.00 C ATOM 790 CE LYS A 49 -8.543 -9.046 2.763 1.00 0.00 C ATOM 791 NZ LYS A 49 -9.321 -7.796 2.969 1.00 0.00 N1+ ATOM 0 H LYS A 49 -5.430 -9.918 6.183 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.356 -8.736 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.519 -11.230 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.894 -10.338 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.268 -8.366 5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.791 -9.144 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.129 -10.912 3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.607 -10.137 4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.510 -8.794 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.946 -9.586 1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.402 -7.285 2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.271 -8.032 3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.835 -7.195 3.665 1.00 0.00 H new ATOM 805 N THR A 50 -6.317 -11.678 8.819 1.00 0.00 N ATOM 806 CA THR A 50 -6.374 -12.644 9.906 1.00 0.00 C ATOM 807 C THR A 50 -5.443 -12.258 11.060 1.00 0.00 C ATOM 808 O THR A 50 -5.380 -12.948 12.079 1.00 0.00 O ATOM 809 CB THR A 50 -6.020 -14.055 9.404 1.00 0.00 C ATOM 810 OG1 THR A 50 -4.701 -14.072 8.835 1.00 0.00 O ATOM 811 CG2 THR A 50 -7.028 -14.520 8.364 1.00 0.00 C ATOM 0 H THR A 50 -5.585 -11.859 8.132 1.00 0.00 H new ATOM 0 HA THR A 50 -7.398 -12.643 10.280 1.00 0.00 H new ATOM 0 HB THR A 50 -6.049 -14.733 10.257 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.311 -13.175 8.887 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.762 -15.520 8.021 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.024 -14.542 8.807 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.022 -13.832 7.518 1.00 0.00 H new ATOM 819 N MET A 51 -4.729 -11.149 10.899 1.00 0.00 N ATOM 820 CA MET A 51 -3.812 -10.670 11.930 1.00 0.00 C ATOM 821 C MET A 51 -4.572 -9.913 13.007 1.00 0.00 C ATOM 822 O MET A 51 -5.584 -9.265 12.728 1.00 0.00 O ATOM 823 CB MET A 51 -2.730 -9.771 11.324 1.00 0.00 C ATOM 824 CG MET A 51 -1.674 -10.527 10.537 1.00 0.00 C ATOM 825 SD MET A 51 -0.612 -9.444 9.557 1.00 0.00 S ATOM 826 CE MET A 51 0.134 -8.430 10.829 1.00 0.00 C ATOM 0 H MET A 51 -4.767 -10.564 10.064 1.00 0.00 H new ATOM 0 HA MET A 51 -3.329 -11.537 12.380 1.00 0.00 H new ATOM 0 HB2 MET A 51 -3.204 -9.040 10.669 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.243 -9.214 12.125 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.058 -11.103 11.227 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.164 -11.241 9.875 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.613 -7.565 10.370 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.636 -8.093 11.523 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.879 -9.014 11.369 1.00 0.00 H new ATOM 836 N SER A 52 -4.080 -9.996 14.230 1.00 0.00 N ATOM 837 CA SER A 52 -4.723 -9.349 15.359 1.00 0.00 C ATOM 838 C SER A 52 -4.204 -7.919 15.527 1.00 0.00 C ATOM 839 O SER A 52 -3.284 -7.496 14.819 1.00 0.00 O ATOM 840 CB SER A 52 -4.485 -10.175 16.623 1.00 0.00 C ATOM 841 OG SER A 52 -4.914 -11.517 16.433 1.00 0.00 O ATOM 0 H SER A 52 -3.231 -10.509 14.467 1.00 0.00 H new ATOM 0 HA SER A 52 -5.796 -9.290 15.177 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.426 -10.159 16.880 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.023 -9.731 17.461 1.00 0.00 H new ATOM 0 HG SER A 52 -4.752 -12.031 17.252 1.00 0.00 H new ATOM 847 N ALA A 53 -4.795 -7.183 16.462 1.00 0.00 N ATOM 848 CA ALA A 53 -4.474 -5.774 16.658 1.00 0.00 C ATOM 849 C ALA A 53 -3.008 -5.576 17.026 1.00 0.00 C ATOM 850 O ALA A 53 -2.365 -4.643 16.547 1.00 0.00 O ATOM 851 CB ALA A 53 -5.377 -5.175 17.726 1.00 0.00 C ATOM 0 H ALA A 53 -5.504 -7.543 17.101 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.647 -5.257 15.714 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.129 -4.123 17.864 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.418 -5.264 17.414 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.233 -5.708 18.666 1.00 0.00 H new ATOM 857 N LYS A 54 -2.481 -6.463 17.864 1.00 0.00 N ATOM 858 CA LYS A 54 -1.094 -6.375 18.309 1.00 0.00 C ATOM 859 C LYS A 54 -0.120 -6.381 17.127 1.00 0.00 C ATOM 860 O LYS A 54 0.774 -5.534 17.046 1.00 0.00 O ATOM 861 CB LYS A 54 -0.772 -7.523 19.273 1.00 0.00 C ATOM 862 CG LYS A 54 0.705 -7.634 19.622 1.00 0.00 C ATOM 863 CD LYS A 54 0.962 -8.663 20.717 1.00 0.00 C ATOM 864 CE LYS A 54 0.417 -10.041 20.364 1.00 0.00 C ATOM 865 NZ LYS A 54 0.931 -10.533 19.058 1.00 0.00 N1+ ATOM 0 H LYS A 54 -2.996 -7.254 18.250 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.972 -5.426 18.832 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.344 -7.386 20.191 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.103 -8.462 18.829 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.268 -7.907 18.730 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.074 -6.661 19.946 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.034 -8.736 20.898 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.504 -8.322 21.646 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.687 -10.748 21.148 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.672 -10.002 20.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.717 -11.546 18.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.475 -10.007 18.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.960 -10.390 19.014 1.00 0.00 H new ATOM 879 N GLU A 55 -0.302 -7.323 16.210 1.00 0.00 N ATOM 880 CA GLU A 55 0.579 -7.442 15.054 1.00 0.00 C ATOM 881 C GLU A 55 0.412 -6.249 14.116 1.00 0.00 C ATOM 882 O GLU A 55 1.370 -5.797 13.491 1.00 0.00 O ATOM 883 CB GLU A 55 0.316 -8.742 14.287 1.00 0.00 C ATOM 884 CG GLU A 55 0.539 -10.005 15.103 1.00 0.00 C ATOM 885 CD GLU A 55 -0.667 -10.392 15.928 1.00 0.00 C ATOM 886 OE1 GLU A 55 -1.520 -11.141 15.413 1.00 0.00 O ATOM 887 OE2 GLU A 55 -0.764 -9.958 17.093 1.00 0.00 O1- ATOM 0 H GLU A 55 -1.051 -8.015 16.244 1.00 0.00 H new ATOM 0 HA GLU A 55 1.603 -7.459 15.427 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.712 -8.735 13.924 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.963 -8.771 13.411 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.792 -10.825 14.432 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.393 -9.859 15.764 1.00 0.00 H new ATOM 894 N LYS A 56 -0.809 -5.741 14.025 1.00 0.00 N ATOM 895 CA LYS A 56 -1.089 -4.594 13.173 1.00 0.00 C ATOM 896 C LYS A 56 -0.494 -3.324 13.769 1.00 0.00 C ATOM 897 O LYS A 56 0.001 -2.461 13.044 1.00 0.00 O ATOM 898 CB LYS A 56 -2.597 -4.454 12.952 1.00 0.00 C ATOM 899 CG LYS A 56 -3.168 -5.581 12.110 1.00 0.00 C ATOM 900 CD LYS A 56 -4.685 -5.560 12.056 1.00 0.00 C ATOM 901 CE LYS A 56 -5.193 -6.662 11.145 1.00 0.00 C ATOM 902 NZ LYS A 56 -6.661 -6.863 11.252 1.00 0.00 N1+ ATOM 0 H LYS A 56 -1.619 -6.103 14.529 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.619 -4.754 12.202 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.102 -4.434 13.918 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.803 -3.501 12.465 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.771 -5.510 11.097 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.836 -6.537 12.516 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.094 -5.690 13.058 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.030 -4.591 11.694 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.938 -6.421 10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.684 -7.594 11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.854 -7.720 11.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.091 -6.041 11.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.067 -6.970 10.301 1.00 0.00 H new ATOM 916 N GLY A 57 -0.518 -3.231 15.093 1.00 0.00 N ATOM 917 CA GLY A 57 0.125 -2.123 15.777 1.00 0.00 C ATOM 918 C GLY A 57 1.624 -2.133 15.565 1.00 0.00 C ATOM 919 O GLY A 57 2.251 -1.080 15.479 1.00 0.00 O ATOM 0 H GLY A 57 -0.973 -3.906 15.708 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.288 -1.182 15.415 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.093 -2.177 16.844 1.00 0.00 H new ATOM 923 N LYS A 58 2.187 -3.333 15.470 1.00 0.00 N ATOM 924 CA LYS A 58 3.608 -3.522 15.188 1.00 0.00 C ATOM 925 C LYS A 58 4.018 -2.800 13.904 1.00 0.00 C ATOM 926 O LYS A 58 4.974 -2.021 13.890 1.00 0.00 O ATOM 927 CB LYS A 58 3.904 -5.028 15.089 1.00 0.00 C ATOM 928 CG LYS A 58 5.159 -5.404 14.307 1.00 0.00 C ATOM 929 CD LYS A 58 6.421 -4.818 14.912 1.00 0.00 C ATOM 930 CE LYS A 58 7.661 -5.325 14.197 1.00 0.00 C ATOM 931 NZ LYS A 58 7.911 -6.763 14.477 1.00 0.00 N1+ ATOM 0 H LYS A 58 1.671 -4.205 15.586 1.00 0.00 H new ATOM 0 HA LYS A 58 4.193 -3.091 16.000 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.993 -5.430 16.098 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.048 -5.518 14.625 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.248 -6.490 14.271 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.059 -5.058 13.278 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.384 -3.730 14.854 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.476 -5.079 15.969 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.547 -5.178 13.123 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.525 -4.739 14.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.868 -7.017 14.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.827 -6.938 15.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.213 -7.342 13.968 1.00 0.00 H new ATOM 945 N PHE A 59 3.284 -3.045 12.831 1.00 0.00 N ATOM 946 CA PHE A 59 3.624 -2.465 11.541 1.00 0.00 C ATOM 947 C PHE A 59 3.192 -1.005 11.457 1.00 0.00 C ATOM 948 O PHE A 59 3.786 -0.221 10.721 1.00 0.00 O ATOM 949 CB PHE A 59 3.019 -3.293 10.405 1.00 0.00 C ATOM 950 CG PHE A 59 3.688 -4.630 10.257 1.00 0.00 C ATOM 951 CD1 PHE A 59 3.392 -5.670 11.124 1.00 0.00 C ATOM 952 CD2 PHE A 59 4.635 -4.837 9.270 1.00 0.00 C ATOM 953 CE1 PHE A 59 4.031 -6.890 11.008 1.00 0.00 C ATOM 954 CE2 PHE A 59 5.272 -6.057 9.145 1.00 0.00 C ATOM 955 CZ PHE A 59 4.971 -7.084 10.017 1.00 0.00 C ATOM 0 H PHE A 59 2.454 -3.638 12.826 1.00 0.00 H new ATOM 0 HA PHE A 59 4.709 -2.486 11.435 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.955 -3.440 10.592 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.105 -2.740 9.469 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.654 -5.525 11.899 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.879 -4.035 8.589 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.795 -7.691 11.693 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.005 -6.207 8.366 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.470 -8.037 9.924 1.00 0.00 H new ATOM 965 N GLU A 60 2.181 -0.638 12.231 1.00 0.00 N ATOM 966 CA GLU A 60 1.730 0.745 12.279 1.00 0.00 C ATOM 967 C GLU A 60 2.729 1.607 13.048 1.00 0.00 C ATOM 968 O GLU A 60 2.940 2.775 12.723 1.00 0.00 O ATOM 969 CB GLU A 60 0.339 0.828 12.914 1.00 0.00 C ATOM 970 CG GLU A 60 -0.246 2.231 12.919 1.00 0.00 C ATOM 971 CD GLU A 60 -1.749 2.234 13.085 1.00 0.00 C ATOM 972 OE1 GLU A 60 -2.461 2.137 12.062 1.00 0.00 O1- ATOM 973 OE2 GLU A 60 -2.228 2.336 14.233 1.00 0.00 O ATOM 0 H GLU A 60 1.659 -1.276 12.832 1.00 0.00 H new ATOM 0 HA GLU A 60 1.666 1.127 11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.337 0.164 12.376 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.395 0.463 13.940 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.206 2.806 13.727 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.014 2.732 11.987 1.00 0.00 H new ATOM 980 N ASP A 61 3.354 1.017 14.058 1.00 0.00 N ATOM 981 CA ASP A 61 4.381 1.703 14.839 1.00 0.00 C ATOM 982 C ASP A 61 5.610 1.980 13.984 1.00 0.00 C ATOM 983 O ASP A 61 6.266 3.012 14.131 1.00 0.00 O ATOM 984 CB ASP A 61 4.760 0.862 16.066 1.00 0.00 C ATOM 985 CG ASP A 61 5.963 1.401 16.813 1.00 0.00 C ATOM 986 OD1 ASP A 61 5.859 2.478 17.431 1.00 0.00 O ATOM 987 OD2 ASP A 61 7.022 0.738 16.800 1.00 0.00 O1- ATOM 0 H ASP A 61 3.168 0.060 14.359 1.00 0.00 H new ATOM 0 HA ASP A 61 3.979 2.658 15.178 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.909 0.819 16.745 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.966 -0.160 15.748 1.00 0.00 H new ATOM 992 N MET A 62 5.915 1.064 13.078 1.00 0.00 N ATOM 993 CA MET A 62 7.011 1.273 12.141 1.00 0.00 C ATOM 994 C MET A 62 6.587 2.263 11.063 1.00 0.00 C ATOM 995 O MET A 62 7.394 3.053 10.575 1.00 0.00 O ATOM 996 CB MET A 62 7.459 -0.044 11.503 1.00 0.00 C ATOM 997 CG MET A 62 7.958 -1.071 12.508 1.00 0.00 C ATOM 998 SD MET A 62 8.686 -2.522 11.720 1.00 0.00 S ATOM 999 CE MET A 62 7.353 -3.025 10.635 1.00 0.00 C ATOM 0 H MET A 62 5.425 0.176 12.971 1.00 0.00 H new ATOM 0 HA MET A 62 7.858 1.680 12.693 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.625 -0.470 10.945 1.00 0.00 H new ATOM 0 HB3 MET A 62 8.251 0.162 10.783 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.699 -0.606 13.159 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.129 -1.385 13.142 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.639 -3.933 10.104 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.456 -3.216 11.225 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.151 -2.232 9.915 1.00 0.00 H new ATOM 1009 N ALA A 63 5.303 2.224 10.714 1.00 0.00 N ATOM 1010 CA ALA A 63 4.738 3.151 9.744 1.00 0.00 C ATOM 1011 C ALA A 63 4.863 4.587 10.232 1.00 0.00 C ATOM 1012 O ALA A 63 5.313 5.464 9.501 1.00 0.00 O ATOM 1013 CB ALA A 63 3.276 2.811 9.479 1.00 0.00 C ATOM 0 H ALA A 63 4.633 1.555 11.093 1.00 0.00 H new ATOM 0 HA ALA A 63 5.298 3.055 8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.865 3.512 8.752 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.204 1.797 9.086 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.712 2.881 10.409 1.00 0.00 H new ATOM 1019 N LYS A 64 4.483 4.816 11.482 1.00 0.00 N ATOM 1020 CA LYS A 64 4.527 6.156 12.052 1.00 0.00 C ATOM 1021 C LYS A 64 5.968 6.615 12.255 1.00 0.00 C ATOM 1022 O LYS A 64 6.260 7.812 12.267 1.00 0.00 O ATOM 1023 CB LYS A 64 3.738 6.209 13.365 1.00 0.00 C ATOM 1024 CG LYS A 64 4.348 5.449 14.528 1.00 0.00 C ATOM 1025 CD LYS A 64 3.438 5.529 15.745 1.00 0.00 C ATOM 1026 CE LYS A 64 3.930 4.659 16.887 1.00 0.00 C ATOM 1027 NZ LYS A 64 5.221 5.139 17.441 1.00 0.00 N1+ ATOM 0 H LYS A 64 4.142 4.095 12.118 1.00 0.00 H new ATOM 0 HA LYS A 64 4.057 6.843 11.348 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.623 7.253 13.657 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.737 5.817 13.183 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.503 4.407 14.249 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.327 5.864 14.769 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.373 6.564 16.081 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.431 5.222 15.464 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.181 4.643 17.678 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.046 3.633 16.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.907 4.357 17.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.586 5.913 16.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.076 5.483 18.412 1.00 0.00 H new ATOM 1041 N ALA A 65 6.862 5.653 12.402 1.00 0.00 N ATOM 1042 CA ALA A 65 8.288 5.939 12.506 1.00 0.00 C ATOM 1043 C ALA A 65 8.844 6.443 11.172 1.00 0.00 C ATOM 1044 O ALA A 65 9.520 7.475 11.122 1.00 0.00 O ATOM 1045 CB ALA A 65 9.049 4.703 12.961 1.00 0.00 C ATOM 0 H ALA A 65 6.627 4.662 12.453 1.00 0.00 H new ATOM 0 HA ALA A 65 8.420 6.724 13.250 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.111 4.936 13.033 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.680 4.387 13.937 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.902 3.899 12.240 1.00 0.00 H new ATOM 1051 N ASP A 66 8.548 5.718 10.094 1.00 0.00 N ATOM 1052 CA ASP A 66 9.018 6.096 8.757 1.00 0.00 C ATOM 1053 C ASP A 66 8.261 7.330 8.267 1.00 0.00 C ATOM 1054 O ASP A 66 8.740 8.079 7.415 1.00 0.00 O ATOM 1055 CB ASP A 66 8.843 4.929 7.779 1.00 0.00 C ATOM 1056 CG ASP A 66 9.725 5.044 6.545 1.00 0.00 C ATOM 1057 OD1 ASP A 66 10.964 4.924 6.686 1.00 0.00 O1- ATOM 1058 OD2 ASP A 66 9.191 5.219 5.427 1.00 0.00 O ATOM 0 H ASP A 66 7.986 4.867 10.118 1.00 0.00 H new ATOM 0 HA ASP A 66 10.079 6.338 8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.069 3.995 8.294 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.800 4.877 7.468 1.00 0.00 H new ATOM 1063 N LYS A 67 7.073 7.528 8.831 1.00 0.00 N ATOM 1064 CA LYS A 67 6.278 8.729 8.596 1.00 0.00 C ATOM 1065 C LYS A 67 7.105 9.974 8.914 1.00 0.00 C ATOM 1066 O LYS A 67 7.189 10.899 8.106 1.00 0.00 O ATOM 1067 CB LYS A 67 5.005 8.677 9.467 1.00 0.00 C ATOM 1068 CG LYS A 67 3.996 9.802 9.231 1.00 0.00 C ATOM 1069 CD LYS A 67 4.389 11.103 9.926 1.00 0.00 C ATOM 1070 CE LYS A 67 4.518 10.940 11.435 1.00 0.00 C ATOM 1071 NZ LYS A 67 4.840 12.230 12.102 1.00 0.00 N1+ ATOM 0 H LYS A 67 6.634 6.860 9.464 1.00 0.00 H new ATOM 0 HA LYS A 67 5.985 8.776 7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.506 7.724 9.293 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.303 8.694 10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.902 9.981 8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.016 9.486 9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.336 11.457 9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.643 11.868 9.708 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.586 10.544 11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.297 10.211 11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.119 12.051 13.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.623 12.695 11.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.003 12.848 12.086 1.00 0.00 H new ATOM 1085 N ALA A 68 7.723 9.984 10.090 1.00 0.00 N ATOM 1086 CA ALA A 68 8.551 11.109 10.514 1.00 0.00 C ATOM 1087 C ALA A 68 9.855 11.143 9.729 1.00 0.00 C ATOM 1088 O ALA A 68 10.454 12.204 9.539 1.00 0.00 O ATOM 1089 CB ALA A 68 8.829 11.026 12.004 1.00 0.00 C ATOM 0 H ALA A 68 7.666 9.224 10.768 1.00 0.00 H new ATOM 0 HA ALA A 68 8.008 12.032 10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.447 11.871 12.306 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.887 11.051 12.552 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.352 10.096 12.225 1.00 0.00 H new ATOM 1095 N ARG A 69 10.285 9.975 9.266 1.00 0.00 N ATOM 1096 CA ARG A 69 11.466 9.874 8.429 1.00 0.00 C ATOM 1097 C ARG A 69 11.218 10.621 7.126 1.00 0.00 C ATOM 1098 O ARG A 69 12.073 11.370 6.659 1.00 0.00 O ATOM 1099 CB ARG A 69 11.801 8.406 8.149 1.00 0.00 C ATOM 1100 CG ARG A 69 13.089 8.197 7.365 1.00 0.00 C ATOM 1101 CD ARG A 69 14.297 8.722 8.126 1.00 0.00 C ATOM 1102 NE ARG A 69 14.403 8.125 9.458 1.00 0.00 N ATOM 1103 CZ ARG A 69 15.274 8.522 10.384 1.00 0.00 C ATOM 1104 NH1 ARG A 69 16.167 9.464 10.103 1.00 0.00 N1+ ATOM 1105 NH2 ARG A 69 15.255 7.963 11.591 1.00 0.00 N ATOM 0 H ARG A 69 9.829 9.083 9.459 1.00 0.00 H new ATOM 0 HA ARG A 69 12.315 10.320 8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.877 7.875 9.098 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.976 7.956 7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.222 7.135 7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.016 8.703 6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.204 8.510 7.559 1.00 0.00 H new ATOM 0 HD3 ARG A 69 14.225 9.806 8.218 1.00 0.00 H new ATOM 0 HE ARG A 69 13.772 7.359 9.691 1.00 0.00 H new ATOM 0 HH11 ARG A 69 16.188 9.887 9.175 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.832 9.765 10.815 1.00 0.00 H new ATOM 0 HH21 ARG A 69 14.575 7.233 11.804 1.00 0.00 H new ATOM 0 HH22 ARG A 69 15.920 8.264 12.303 1.00 0.00 H new ATOM 1119 N TYR A 70 10.030 10.417 6.563 1.00 0.00 N ATOM 1120 CA TYR A 70 9.594 11.125 5.374 1.00 0.00 C ATOM 1121 C TYR A 70 9.684 12.632 5.591 1.00 0.00 C ATOM 1122 O TYR A 70 10.291 13.344 4.796 1.00 0.00 O ATOM 1123 CB TYR A 70 8.150 10.721 5.049 1.00 0.00 C ATOM 1124 CG TYR A 70 7.601 11.313 3.773 1.00 0.00 C ATOM 1125 CD1 TYR A 70 7.010 12.567 3.760 1.00 0.00 C ATOM 1126 CD2 TYR A 70 7.654 10.603 2.585 1.00 0.00 C ATOM 1127 CE1 TYR A 70 6.492 13.099 2.597 1.00 0.00 C ATOM 1128 CE2 TYR A 70 7.145 11.126 1.418 1.00 0.00 C ATOM 1129 CZ TYR A 70 6.561 12.372 1.425 1.00 0.00 C ATOM 1130 OH TYR A 70 6.038 12.887 0.256 1.00 0.00 O ATOM 0 H TYR A 70 9.344 9.753 6.923 1.00 0.00 H new ATOM 0 HA TYR A 70 10.242 10.861 4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.098 9.634 4.981 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.508 11.020 5.878 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.954 13.137 4.676 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.103 9.621 2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.035 14.078 2.603 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.204 10.560 0.500 1.00 0.00 H new ATOM 0 HH TYR A 70 6.172 12.246 -0.473 1.00 0.00 H new ATOM 1140 N GLU A 71 9.100 13.096 6.688 1.00 0.00 N ATOM 1141 CA GLU A 71 9.031 14.514 6.995 1.00 0.00 C ATOM 1142 C GLU A 71 10.421 15.143 7.082 1.00 0.00 C ATOM 1143 O GLU A 71 10.731 16.104 6.366 1.00 0.00 O ATOM 1144 CB GLU A 71 8.284 14.700 8.310 1.00 0.00 C ATOM 1145 CG GLU A 71 6.909 14.053 8.313 1.00 0.00 C ATOM 1146 CD GLU A 71 6.132 14.332 9.581 1.00 0.00 C ATOM 1147 OE1 GLU A 71 6.440 13.716 10.622 1.00 0.00 O ATOM 1148 OE2 GLU A 71 5.192 15.158 9.536 1.00 0.00 O1- ATOM 0 H GLU A 71 8.662 12.498 7.388 1.00 0.00 H new ATOM 0 HA GLU A 71 8.499 15.018 6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.878 14.279 9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.178 15.766 8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.340 14.415 7.457 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.019 12.976 8.190 1.00 0.00 H new ATOM 1155 N ARG A 72 11.264 14.590 7.942 1.00 0.00 N ATOM 1156 CA ARG A 72 12.586 15.154 8.174 1.00 0.00 C ATOM 1157 C ARG A 72 13.486 15.007 6.949 1.00 0.00 C ATOM 1158 O ARG A 72 14.282 15.897 6.655 1.00 0.00 O ATOM 1159 CB ARG A 72 13.234 14.520 9.407 1.00 0.00 C ATOM 1160 CG ARG A 72 12.579 14.961 10.705 1.00 0.00 C ATOM 1161 CD ARG A 72 13.220 14.322 11.924 1.00 0.00 C ATOM 1162 NE ARG A 72 12.658 14.863 13.159 1.00 0.00 N ATOM 1163 CZ ARG A 72 12.010 14.141 14.070 1.00 0.00 C ATOM 1164 NH1 ARG A 72 11.907 12.823 13.942 1.00 0.00 N1+ ATOM 1165 NH2 ARG A 72 11.479 14.748 15.123 1.00 0.00 N ATOM 0 H ARG A 72 11.057 13.754 8.489 1.00 0.00 H new ATOM 0 HA ARG A 72 12.462 16.221 8.359 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.176 13.435 9.326 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.292 14.781 9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.643 16.046 10.791 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.520 14.706 10.679 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.069 13.243 11.894 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.296 14.494 11.905 1.00 0.00 H new ATOM 0 HE ARG A 72 12.770 15.861 13.335 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.327 12.354 13.139 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.408 12.280 14.646 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.569 15.758 15.228 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.980 14.204 15.827 1.00 0.00 H new ATOM 1179 N GLU A 73 13.341 13.908 6.221 1.00 0.00 N ATOM 1180 CA GLU A 73 14.170 13.673 5.046 1.00 0.00 C ATOM 1181 C GLU A 73 13.753 14.595 3.902 1.00 0.00 C ATOM 1182 O GLU A 73 14.551 14.898 3.020 1.00 0.00 O ATOM 1183 CB GLU A 73 14.094 12.209 4.607 1.00 0.00 C ATOM 1184 CG GLU A 73 15.231 11.792 3.688 1.00 0.00 C ATOM 1185 CD GLU A 73 16.589 11.901 4.353 1.00 0.00 C ATOM 1186 OE1 GLU A 73 16.987 10.949 5.060 1.00 0.00 O1- ATOM 1187 OE2 GLU A 73 17.264 12.935 4.177 1.00 0.00 O ATOM 0 H GLU A 73 12.664 13.171 6.420 1.00 0.00 H new ATOM 0 HA GLU A 73 15.203 13.895 5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.100 11.572 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.145 12.039 4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.072 10.764 3.363 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.218 12.415 2.794 1.00 0.00 H new ATOM 1194 N MET A 74 12.501 15.048 3.923 1.00 0.00 N ATOM 1195 CA MET A 74 12.023 16.009 2.931 1.00 0.00 C ATOM 1196 C MET A 74 12.767 17.329 3.069 1.00 0.00 C ATOM 1197 O MET A 74 13.082 17.984 2.074 1.00 0.00 O ATOM 1198 CB MET A 74 10.515 16.252 3.072 1.00 0.00 C ATOM 1199 CG MET A 74 9.636 15.133 2.526 1.00 0.00 C ATOM 1200 SD MET A 74 9.259 15.298 0.764 1.00 0.00 S ATOM 1201 CE MET A 74 10.853 14.977 0.011 1.00 0.00 C ATOM 0 H MET A 74 11.803 14.767 4.612 1.00 0.00 H new ATOM 0 HA MET A 74 12.214 15.587 1.944 1.00 0.00 H new ATOM 0 HB2 MET A 74 10.281 16.397 4.127 1.00 0.00 H new ATOM 0 HB3 MET A 74 10.261 17.179 2.558 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.133 14.178 2.694 1.00 0.00 H new ATOM 0 HG3 MET A 74 8.702 15.110 3.088 1.00 0.00 H new ATOM 0 HE1 MET A 74 10.708 14.594 -0.999 1.00 0.00 H new ATOM 0 HE2 MET A 74 11.428 15.902 -0.031 1.00 0.00 H new ATOM 0 HE3 MET A 74 11.394 14.240 0.604 1.00 0.00 H new ATOM 1211 N LYS A 75 13.052 17.715 4.308 1.00 0.00 N ATOM 1212 CA LYS A 75 13.766 18.963 4.571 1.00 0.00 C ATOM 1213 C LYS A 75 15.238 18.863 4.174 1.00 0.00 C ATOM 1214 O LYS A 75 15.898 19.878 3.939 1.00 0.00 O ATOM 1215 CB LYS A 75 13.639 19.359 6.041 1.00 0.00 C ATOM 1216 CG LYS A 75 12.216 19.710 6.448 1.00 0.00 C ATOM 1217 CD LYS A 75 11.654 20.828 5.582 1.00 0.00 C ATOM 1218 CE LYS A 75 10.236 21.197 5.991 1.00 0.00 C ATOM 1219 NZ LYS A 75 9.653 22.233 5.095 1.00 0.00 N1+ ATOM 0 H LYS A 75 12.802 17.186 5.143 1.00 0.00 H new ATOM 0 HA LYS A 75 13.306 19.738 3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.996 18.538 6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.287 20.213 6.237 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.583 18.827 6.362 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.199 20.014 7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.295 21.706 5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.663 20.518 4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.609 20.306 5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.238 21.564 7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.686 22.457 5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.237 23.093 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.628 21.874 4.119 1.00 0.00 H new ATOM 1233 N THR A 76 15.747 17.644 4.095 1.00 0.00 N ATOM 1234 CA THR A 76 17.114 17.411 3.660 1.00 0.00 C ATOM 1235 C THR A 76 17.154 16.943 2.214 1.00 0.00 C ATOM 1236 O THR A 76 18.187 16.496 1.714 1.00 0.00 O ATOM 1237 CB THR A 76 17.795 16.366 4.549 1.00 0.00 C ATOM 1238 OG1 THR A 76 16.848 15.360 4.932 1.00 0.00 O ATOM 1239 CG2 THR A 76 18.377 17.016 5.785 1.00 0.00 C ATOM 0 H THR A 76 15.230 16.796 4.328 1.00 0.00 H new ATOM 0 HA THR A 76 17.649 18.357 3.741 1.00 0.00 H new ATOM 0 HB THR A 76 18.605 15.905 3.983 1.00 0.00 H new ATOM 0 HG1 THR A 76 16.990 14.555 4.392 1.00 0.00 H new ATOM 0 HG21 THR A 76 18.856 16.257 6.404 1.00 0.00 H new ATOM 0 HG22 THR A 76 19.114 17.763 5.490 1.00 0.00 H new ATOM 0 HG23 THR A 76 17.580 17.497 6.353 1.00 0.00 H new ATOM 1247 N TYR A 77 16.022 17.050 1.549 1.00 0.00 N ATOM 1248 CA TYR A 77 15.905 16.622 0.174 1.00 0.00 C ATOM 1249 C TYR A 77 15.711 17.826 -0.728 1.00 0.00 C ATOM 1250 O TYR A 77 14.756 18.589 -0.574 1.00 0.00 O ATOM 1251 CB TYR A 77 14.739 15.651 0.040 1.00 0.00 C ATOM 1252 CG TYR A 77 14.504 15.155 -1.375 1.00 0.00 C ATOM 1253 CD1 TYR A 77 15.198 14.060 -1.878 1.00 0.00 C ATOM 1254 CD2 TYR A 77 13.575 15.778 -2.201 1.00 0.00 C ATOM 1255 CE1 TYR A 77 14.972 13.605 -3.165 1.00 0.00 C ATOM 1256 CE2 TYR A 77 13.349 15.329 -3.488 1.00 0.00 C ATOM 1257 CZ TYR A 77 14.046 14.243 -3.964 1.00 0.00 C ATOM 1258 OH TYR A 77 13.809 13.785 -5.239 1.00 0.00 O ATOM 0 H TYR A 77 15.164 17.434 1.945 1.00 0.00 H new ATOM 0 HA TYR A 77 16.820 16.112 -0.129 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.918 14.794 0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 77 13.832 16.138 0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 77 15.924 13.558 -1.255 1.00 0.00 H new ATOM 0 HD2 TYR A 77 13.021 16.627 -1.830 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.519 12.753 -3.543 1.00 0.00 H new ATOM 0 HE2 TYR A 77 12.628 15.829 -4.118 1.00 0.00 H new ATOM 0 HH TYR A 77 14.381 13.010 -5.420 1.00 0.00 H new ATOM 1268 N ILE A 78 16.635 18.005 -1.651 1.00 0.00 N ATOM 1269 CA ILE A 78 16.567 19.099 -2.599 1.00 0.00 C ATOM 1270 C ILE A 78 16.380 18.536 -4.001 1.00 0.00 C ATOM 1271 O ILE A 78 17.293 17.909 -4.548 1.00 0.00 O ATOM 1272 CB ILE A 78 17.840 19.991 -2.558 1.00 0.00 C ATOM 1273 CG1 ILE A 78 18.061 20.600 -1.162 1.00 0.00 C ATOM 1274 CG2 ILE A 78 17.751 21.103 -3.598 1.00 0.00 C ATOM 1275 CD1 ILE A 78 18.684 19.653 -0.150 1.00 0.00 C ATOM 0 H ILE A 78 17.449 17.401 -1.765 1.00 0.00 H new ATOM 0 HA ILE A 78 15.720 19.728 -2.325 1.00 0.00 H new ATOM 0 HB ILE A 78 18.692 19.351 -2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 78 18.700 21.478 -1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 78 17.102 20.945 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.651 21.716 -3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 78 17.659 20.665 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 78 16.879 21.724 -3.393 1.00 0.00 H new ATOM 0 HD11 ILE A 78 18.803 20.167 0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 78 18.037 18.786 -0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.660 19.326 -0.510 1.00 0.00 H new ATOM 1287 N PRO A 79 15.181 18.712 -4.577 1.00 0.00 N ATOM 1288 CA PRO A 79 14.866 18.226 -5.925 1.00 0.00 C ATOM 1289 C PRO A 79 15.858 18.730 -6.972 1.00 0.00 C ATOM 1290 O PRO A 79 16.250 19.903 -6.956 1.00 0.00 O ATOM 1291 CB PRO A 79 13.468 18.791 -6.195 1.00 0.00 C ATOM 1292 CG PRO A 79 12.880 19.010 -4.845 1.00 0.00 C ATOM 1293 CD PRO A 79 14.030 19.393 -3.958 1.00 0.00 C ATOM 0 HA PRO A 79 14.917 17.139 -5.985 1.00 0.00 H new ATOM 0 HB2 PRO A 79 13.520 19.722 -6.760 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.866 18.096 -6.781 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.126 19.796 -4.869 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.388 18.108 -4.481 1.00 0.00 H new ATOM 0 HD2 PRO A 79 14.171 20.473 -3.927 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.873 19.063 -2.931 1.00 0.00 H new ATOM 1301 N PRO A 80 16.282 17.842 -7.887 1.00 0.00 N ATOM 1302 CA PRO A 80 17.226 18.182 -8.952 1.00 0.00 C ATOM 1303 C PRO A 80 16.693 19.286 -9.858 1.00 0.00 C ATOM 1304 O PRO A 80 15.480 19.404 -10.061 1.00 0.00 O ATOM 1305 CB PRO A 80 17.383 16.877 -9.740 1.00 0.00 C ATOM 1306 CG PRO A 80 16.934 15.807 -8.811 1.00 0.00 C ATOM 1307 CD PRO A 80 15.869 16.431 -7.955 1.00 0.00 C ATOM 0 HA PRO A 80 18.166 18.561 -8.551 1.00 0.00 H new ATOM 0 HB2 PRO A 80 16.780 16.890 -10.648 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.418 16.724 -10.047 1.00 0.00 H new ATOM 0 HG2 PRO A 80 16.543 14.951 -9.360 1.00 0.00 H new ATOM 0 HG3 PRO A 80 17.762 15.444 -8.203 1.00 0.00 H new ATOM 0 HD2 PRO A 80 14.879 16.321 -8.398 1.00 0.00 H new ATOM 0 HD3 PRO A 80 15.828 15.975 -6.966 1.00 0.00 H new ATOM 1315 N LYS A 81 17.614 20.057 -10.424 1.00 0.00 N ATOM 1316 CA LYS A 81 17.286 21.226 -11.227 1.00 0.00 C ATOM 1317 C LYS A 81 16.465 22.229 -10.424 1.00 0.00 C ATOM 1318 O LYS A 81 15.234 22.241 -10.465 1.00 0.00 O ATOM 1319 CB LYS A 81 16.572 20.822 -12.513 1.00 0.00 C ATOM 1320 CG LYS A 81 17.309 21.256 -13.769 1.00 0.00 C ATOM 1321 CD LYS A 81 17.397 22.769 -13.863 1.00 0.00 C ATOM 1322 CE LYS A 81 18.445 23.204 -14.870 1.00 0.00 C ATOM 1323 NZ LYS A 81 19.820 22.824 -14.443 1.00 0.00 N1+ ATOM 0 H LYS A 81 18.616 19.886 -10.337 1.00 0.00 H new ATOM 0 HA LYS A 81 18.219 21.716 -11.508 1.00 0.00 H new ATOM 0 HB2 LYS A 81 16.449 19.739 -12.528 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.572 21.256 -12.518 1.00 0.00 H new ATOM 0 HG2 LYS A 81 18.313 20.831 -13.769 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.796 20.864 -14.648 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.426 23.174 -14.149 1.00 0.00 H new ATOM 0 HD3 LYS A 81 17.639 23.182 -12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 81 18.228 22.752 -15.838 1.00 0.00 H new ATOM 0 HE3 LYS A 81 18.393 24.284 -15.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 20.516 23.385 -14.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 19.931 23.009 -13.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 19.975 21.813 -14.630 1.00 0.00 H new ATOM 1337 N GLY A 82 17.180 23.044 -9.673 1.00 0.00 N ATOM 1338 CA GLY A 82 16.567 24.061 -8.849 1.00 0.00 C ATOM 1339 C GLY A 82 17.619 25.005 -8.318 1.00 0.00 C ATOM 1340 O GLY A 82 17.583 25.419 -7.161 1.00 0.00 O ATOM 0 H GLY A 82 18.198 23.018 -9.619 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.830 24.615 -9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.034 23.595 -8.020 1.00 0.00 H new ATOM 1344 N GLU A 83 18.565 25.331 -9.186 1.00 0.00 N ATOM 1345 CA GLU A 83 19.738 26.109 -8.812 1.00 0.00 C ATOM 1346 C GLU A 83 19.364 27.558 -8.520 1.00 0.00 C ATOM 1347 O GLU A 83 18.685 28.209 -9.321 1.00 0.00 O ATOM 1348 CB GLU A 83 20.783 26.055 -9.935 1.00 0.00 C ATOM 1349 CG GLU A 83 21.374 24.669 -10.190 1.00 0.00 C ATOM 1350 CD GLU A 83 20.364 23.670 -10.732 1.00 0.00 C ATOM 1351 OE1 GLU A 83 19.968 23.797 -11.910 1.00 0.00 O ATOM 1352 OE2 GLU A 83 19.963 22.756 -9.980 1.00 0.00 O1- ATOM 0 H GLU A 83 18.542 25.064 -10.170 1.00 0.00 H new ATOM 0 HA GLU A 83 20.159 25.675 -7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.325 26.415 -10.856 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.594 26.742 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.199 24.759 -10.896 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.791 24.284 -9.260 1.00 0.00 H new TER 1359 GLU A 83 ATOM 1360 N LEU B 14 -21.501 14.193 7.242 1.00 0.00 N ATOM 1361 CA LEU B 14 -21.515 13.470 8.503 1.00 0.00 C ATOM 1362 C LEU B 14 -22.184 14.305 9.592 1.00 0.00 C ATOM 1363 O LEU B 14 -21.604 15.266 10.100 1.00 0.00 O ATOM 1364 CB LEU B 14 -20.090 13.098 8.926 1.00 0.00 C ATOM 1365 CG LEU B 14 -19.987 12.354 10.257 1.00 0.00 C ATOM 1366 CD1 LEU B 14 -20.747 11.036 10.195 1.00 0.00 C ATOM 1367 CD2 LEU B 14 -18.529 12.115 10.617 1.00 0.00 C ATOM 0 HA LEU B 14 -22.088 12.553 8.364 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -19.645 12.481 8.146 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -19.496 14.010 8.989 1.00 0.00 H new ATOM 0 HG LEU B 14 -20.439 12.971 11.034 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -20.662 10.521 11.152 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -21.798 11.232 9.981 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -20.327 10.410 9.408 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -18.471 11.584 11.567 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -18.055 11.517 9.838 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -18.014 13.072 10.704 1.00 0.00 H new ATOM 1379 N SER B 15 -23.410 13.943 9.924 1.00 0.00 N ATOM 1380 CA SER B 15 -24.152 14.618 10.977 1.00 0.00 C ATOM 1381 C SER B 15 -24.436 13.636 12.113 1.00 0.00 C ATOM 1382 O SER B 15 -24.934 14.003 13.177 1.00 0.00 O ATOM 1383 CB SER B 15 -25.462 15.177 10.404 1.00 0.00 C ATOM 1384 OG SER B 15 -26.123 16.031 11.325 1.00 0.00 O ATOM 0 H SER B 15 -23.917 13.180 9.477 1.00 0.00 H new ATOM 0 HA SER B 15 -23.563 15.446 11.371 1.00 0.00 H new ATOM 0 HB2 SER B 15 -25.251 15.727 9.487 1.00 0.00 H new ATOM 0 HB3 SER B 15 -26.122 14.352 10.137 1.00 0.00 H new ATOM 0 HG SER B 15 -25.986 15.698 12.236 1.00 0.00 H new ATOM 1390 N GLN B 16 -24.080 12.380 11.883 1.00 0.00 N ATOM 1391 CA GLN B 16 -24.403 11.311 12.807 1.00 0.00 C ATOM 1392 C GLN B 16 -23.302 11.128 13.845 1.00 0.00 C ATOM 1393 O GLN B 16 -22.432 10.270 13.688 1.00 0.00 O ATOM 1394 CB GLN B 16 -24.621 9.985 12.060 1.00 0.00 C ATOM 1395 CG GLN B 16 -25.673 10.035 10.955 1.00 0.00 C ATOM 1396 CD GLN B 16 -25.230 10.842 9.744 1.00 0.00 C ATOM 1397 OE1 GLN B 16 -24.039 10.937 9.447 1.00 0.00 O ATOM 1398 NE2 GLN B 16 -26.179 11.441 9.047 1.00 0.00 N ATOM 0 H GLN B 16 -23.563 12.079 11.057 1.00 0.00 H new ATOM 0 HA GLN B 16 -25.325 11.592 13.315 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -23.673 9.670 11.625 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -24.910 9.221 12.782 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -25.909 9.018 10.640 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -26.591 10.466 11.355 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -27.156 11.340 9.323 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -25.935 12.005 8.233 1.00 0.00 H new ATOM 1407 N GLU B 17 -23.321 11.942 14.892 1.00 0.00 N ATOM 1408 CA GLU B 17 -22.371 11.773 15.985 1.00 0.00 C ATOM 1409 C GLU B 17 -22.925 10.790 17.004 1.00 0.00 C ATOM 1410 O GLU B 17 -22.479 9.646 17.088 1.00 0.00 O ATOM 1411 CB GLU B 17 -22.075 13.104 16.676 1.00 0.00 C ATOM 1412 CG GLU B 17 -21.538 14.176 15.749 1.00 0.00 C ATOM 1413 CD GLU B 17 -20.925 15.333 16.511 1.00 0.00 C ATOM 1414 OE1 GLU B 17 -19.737 15.234 16.886 1.00 0.00 O ATOM 1415 OE2 GLU B 17 -21.621 16.338 16.748 1.00 0.00 O1- ATOM 0 H GLU B 17 -23.974 12.717 15.008 1.00 0.00 H new ATOM 0 HA GLU B 17 -21.442 11.389 15.564 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -22.989 13.469 17.145 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -21.353 12.934 17.474 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -20.789 13.741 15.087 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -22.345 14.546 15.117 1.00 0.00 H new ATOM 1422 N THR B 18 -23.933 11.236 17.741 1.00 0.00 N ATOM 1423 CA THR B 18 -24.599 10.400 18.726 1.00 0.00 C ATOM 1424 C THR B 18 -25.238 9.197 18.047 1.00 0.00 C ATOM 1425 O THR B 18 -25.222 8.088 18.570 1.00 0.00 O ATOM 1426 CB THR B 18 -25.681 11.204 19.471 1.00 0.00 C ATOM 1427 OG1 THR B 18 -25.157 12.492 19.823 1.00 0.00 O ATOM 1428 CG2 THR B 18 -26.140 10.474 20.729 1.00 0.00 C ATOM 0 H THR B 18 -24.309 12.182 17.673 1.00 0.00 H new ATOM 0 HA THR B 18 -23.854 10.056 19.444 1.00 0.00 H new ATOM 0 HB THR B 18 -26.542 11.319 18.813 1.00 0.00 H new ATOM 0 HG1 THR B 18 -25.844 13.007 20.296 1.00 0.00 H new ATOM 0 HG21 THR B 18 -26.904 11.065 21.234 1.00 0.00 H new ATOM 0 HG22 THR B 18 -26.554 9.503 20.456 1.00 0.00 H new ATOM 0 HG23 THR B 18 -25.291 10.331 21.397 1.00 0.00 H new ATOM 1436 N PHE B 19 -25.751 9.436 16.848 1.00 0.00 N ATOM 1437 CA PHE B 19 -26.439 8.417 16.064 1.00 0.00 C ATOM 1438 C PHE B 19 -25.550 7.196 15.827 1.00 0.00 C ATOM 1439 O PHE B 19 -26.036 6.067 15.760 1.00 0.00 O ATOM 1440 CB PHE B 19 -26.877 9.011 14.723 1.00 0.00 C ATOM 1441 CG PHE B 19 -27.720 10.250 14.858 1.00 0.00 C ATOM 1442 CD1 PHE B 19 -27.135 11.492 15.082 1.00 0.00 C ATOM 1443 CD2 PHE B 19 -29.100 10.174 14.759 1.00 0.00 C ATOM 1444 CE1 PHE B 19 -27.913 12.628 15.205 1.00 0.00 C ATOM 1445 CE2 PHE B 19 -29.881 11.307 14.883 1.00 0.00 C ATOM 1446 CZ PHE B 19 -29.288 12.534 15.104 1.00 0.00 C ATOM 0 H PHE B 19 -25.702 10.346 16.389 1.00 0.00 H new ATOM 0 HA PHE B 19 -27.313 8.089 16.626 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -25.991 9.247 14.133 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -27.438 8.259 14.168 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -26.061 11.570 15.161 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -29.571 9.218 14.583 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -27.447 13.587 15.380 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -30.956 11.233 14.807 1.00 0.00 H new ATOM 0 HZ PHE B 19 -29.898 13.420 15.198 1.00 0.00 H new ATOM 1456 N SER B 20 -24.248 7.425 15.715 1.00 0.00 N ATOM 1457 CA SER B 20 -23.307 6.345 15.466 1.00 0.00 C ATOM 1458 C SER B 20 -22.741 5.817 16.784 1.00 0.00 C ATOM 1459 O SER B 20 -22.358 4.656 16.888 1.00 0.00 O ATOM 1460 CB SER B 20 -22.180 6.836 14.553 1.00 0.00 C ATOM 1461 OG SER B 20 -21.386 5.761 14.083 1.00 0.00 O ATOM 0 H SER B 20 -23.822 8.348 15.793 1.00 0.00 H new ATOM 0 HA SER B 20 -23.829 5.528 14.968 1.00 0.00 H new ATOM 0 HB2 SER B 20 -22.605 7.373 13.705 1.00 0.00 H new ATOM 0 HB3 SER B 20 -21.552 7.543 15.096 1.00 0.00 H new ATOM 0 HG SER B 20 -20.677 6.108 13.502 1.00 0.00 H new ATOM 1467 N ASP B 21 -22.712 6.667 17.797 1.00 0.00 N ATOM 1468 CA ASP B 21 -22.165 6.287 19.096 1.00 0.00 C ATOM 1469 C ASP B 21 -23.146 5.402 19.868 1.00 0.00 C ATOM 1470 O ASP B 21 -22.742 4.576 20.686 1.00 0.00 O ATOM 1471 CB ASP B 21 -21.823 7.538 19.907 1.00 0.00 C ATOM 1472 CG ASP B 21 -21.249 7.212 21.270 1.00 0.00 C ATOM 1473 OD1 ASP B 21 -20.059 6.842 21.347 1.00 0.00 O ATOM 1474 OD2 ASP B 21 -21.984 7.337 22.274 1.00 0.00 O1- ATOM 0 H ASP B 21 -23.060 7.625 17.749 1.00 0.00 H new ATOM 0 HA ASP B 21 -21.254 5.712 18.929 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -21.106 8.142 19.351 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -22.721 8.143 20.031 1.00 0.00 H new ATOM 1479 N LEU B 22 -24.431 5.564 19.571 1.00 0.00 N ATOM 1480 CA LEU B 22 -25.492 4.816 20.243 1.00 0.00 C ATOM 1481 C LEU B 22 -25.311 3.307 20.111 1.00 0.00 C ATOM 1482 O LEU B 22 -25.575 2.561 21.055 1.00 0.00 O ATOM 1483 CB LEU B 22 -26.859 5.213 19.684 1.00 0.00 C ATOM 1484 CG LEU B 22 -27.309 6.636 20.008 1.00 0.00 C ATOM 1485 CD1 LEU B 22 -28.578 6.973 19.249 1.00 0.00 C ATOM 1486 CD2 LEU B 22 -27.528 6.800 21.503 1.00 0.00 C ATOM 0 H LEU B 22 -24.767 6.214 18.861 1.00 0.00 H new ATOM 0 HA LEU B 22 -25.435 5.069 21.302 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -26.839 5.094 18.601 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -27.606 4.517 20.067 1.00 0.00 H new ATOM 0 HG LEU B 22 -26.523 7.325 19.698 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -28.887 7.990 19.490 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -28.393 6.894 18.178 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -29.368 6.277 19.533 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -27.848 7.820 21.714 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -28.296 6.102 21.837 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -26.597 6.595 22.032 1.00 0.00 H new ATOM 1498 N TRP B 23 -24.861 2.850 18.949 1.00 0.00 N ATOM 1499 CA TRP B 23 -24.713 1.417 18.721 1.00 0.00 C ATOM 1500 C TRP B 23 -23.284 0.959 19.013 1.00 0.00 C ATOM 1501 O TRP B 23 -22.969 -0.223 18.919 1.00 0.00 O ATOM 1502 CB TRP B 23 -25.131 1.034 17.293 1.00 0.00 C ATOM 1503 CG TRP B 23 -24.169 1.468 16.228 1.00 0.00 C ATOM 1504 CD1 TRP B 23 -24.138 2.673 15.590 1.00 0.00 C ATOM 1505 CD2 TRP B 23 -23.113 0.684 15.661 1.00 0.00 C ATOM 1506 NE1 TRP B 23 -23.111 2.693 14.676 1.00 0.00 N ATOM 1507 CE2 TRP B 23 -22.469 1.483 14.700 1.00 0.00 C ATOM 1508 CE3 TRP B 23 -22.643 -0.615 15.880 1.00 0.00 C ATOM 1509 CZ2 TRP B 23 -21.382 1.023 13.959 1.00 0.00 C ATOM 1510 CZ3 TRP B 23 -21.565 -1.067 15.144 1.00 0.00 C ATOM 1511 CH2 TRP B 23 -20.946 -0.250 14.193 1.00 0.00 C ATOM 0 H TRP B 23 -24.596 3.440 18.160 1.00 0.00 H new ATOM 0 HA TRP B 23 -25.380 0.902 19.413 1.00 0.00 H new ATOM 0 HB2 TRP B 23 -25.249 -0.048 17.240 1.00 0.00 H new ATOM 0 HB3 TRP B 23 -26.107 1.471 17.084 1.00 0.00 H new ATOM 0 HD1 TRP B 23 -24.819 3.490 15.775 1.00 0.00 H new ATOM 0 HE1 TRP B 23 -22.867 3.481 14.077 1.00 0.00 H new ATOM 0 HE3 TRP B 23 -23.115 -1.254 16.612 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 -20.901 1.652 13.225 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 -21.194 -2.068 15.306 1.00 0.00 H new ATOM 0 HH2 TRP B 23 -20.106 -0.633 13.632 1.00 0.00 H new ATOM 1522 N LYS B 24 -22.425 1.896 19.396 1.00 0.00 N ATOM 1523 CA LYS B 24 -21.047 1.562 19.746 1.00 0.00 C ATOM 1524 C LYS B 24 -20.966 1.101 21.197 1.00 0.00 C ATOM 1525 O LYS B 24 -19.884 0.881 21.736 1.00 0.00 O ATOM 1526 CB LYS B 24 -20.122 2.759 19.520 1.00 0.00 C ATOM 1527 CG LYS B 24 -19.947 3.127 18.056 1.00 0.00 C ATOM 1528 CD LYS B 24 -19.052 4.343 17.892 1.00 0.00 C ATOM 1529 CE LYS B 24 -18.824 4.675 16.426 1.00 0.00 C ATOM 1530 NZ LYS B 24 -17.980 3.659 15.741 1.00 0.00 N1+ ATOM 0 H LYS B 24 -22.654 2.887 19.472 1.00 0.00 H new ATOM 0 HA LYS B 24 -20.719 0.749 19.099 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -20.519 3.620 20.057 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -19.145 2.538 19.949 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -19.518 2.283 17.516 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -20.922 3.328 17.611 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -19.504 5.199 18.394 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -18.094 4.159 18.377 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -19.786 4.747 15.918 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -18.348 5.652 16.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -17.726 4.001 14.792 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -17.114 3.497 16.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -18.509 2.768 15.657 1.00 0.00 H new ATOM 1544 N LEU B 25 -22.129 0.936 21.813 1.00 0.00 N ATOM 1545 CA LEU B 25 -22.214 0.513 23.203 1.00 0.00 C ATOM 1546 C LEU B 25 -22.164 -1.011 23.314 1.00 0.00 C ATOM 1547 O LEU B 25 -22.315 -1.568 24.401 1.00 0.00 O ATOM 1548 CB LEU B 25 -23.500 1.053 23.834 1.00 0.00 C ATOM 1549 CG LEU B 25 -23.630 2.580 23.830 1.00 0.00 C ATOM 1550 CD1 LEU B 25 -24.971 3.005 24.407 1.00 0.00 C ATOM 1551 CD2 LEU B 25 -22.489 3.217 24.613 1.00 0.00 C ATOM 0 H LEU B 25 -23.033 1.090 21.367 1.00 0.00 H new ATOM 0 HA LEU B 25 -21.357 0.918 23.741 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -24.353 0.629 23.304 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -23.558 0.701 24.864 1.00 0.00 H new ATOM 0 HG LEU B 25 -23.575 2.924 22.797 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -25.044 4.093 24.395 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -25.776 2.581 23.807 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -25.056 2.647 25.433 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -22.599 4.301 24.599 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -22.513 2.863 25.644 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -21.537 2.943 24.158 1.00 0.00 H new ATOM 1563 N LEU B 26 -21.964 -1.683 22.185 1.00 0.00 N ATOM 1564 CA LEU B 26 -21.803 -3.129 22.181 1.00 0.00 C ATOM 1565 C LEU B 26 -20.332 -3.510 22.026 1.00 0.00 C ATOM 1566 O LEU B 26 -19.635 -3.015 21.136 1.00 0.00 O ATOM 1567 CB LEU B 26 -22.674 -3.791 21.095 1.00 0.00 C ATOM 1568 CG LEU B 26 -22.740 -3.082 19.734 1.00 0.00 C ATOM 1569 CD1 LEU B 26 -21.532 -3.414 18.866 1.00 0.00 C ATOM 1570 CD2 LEU B 26 -24.028 -3.453 19.010 1.00 0.00 C ATOM 0 H LEU B 26 -21.910 -1.249 21.264 1.00 0.00 H new ATOM 0 HA LEU B 26 -22.147 -3.507 23.144 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -22.304 -4.804 20.933 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -23.689 -3.880 21.481 1.00 0.00 H new ATOM 0 HG LEU B 26 -22.728 -2.008 19.919 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -21.616 -2.894 17.912 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -20.621 -3.097 19.374 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -21.494 -4.489 18.691 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -24.063 -2.944 18.047 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -24.059 -4.531 18.852 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -24.884 -3.149 19.612 1.00 0.00 H new ATOM 1582 N PRO B 27 -19.828 -4.353 22.933 1.00 0.00 N ATOM 1583 CA PRO B 27 -18.463 -4.839 22.896 1.00 0.00 C ATOM 1584 C PRO B 27 -18.331 -6.146 22.118 1.00 0.00 C ATOM 1585 O PRO B 27 -18.704 -7.214 22.607 1.00 0.00 O ATOM 1586 CB PRO B 27 -18.127 -5.059 24.378 1.00 0.00 C ATOM 1587 CG PRO B 27 -19.432 -5.006 25.123 1.00 0.00 C ATOM 1588 CD PRO B 27 -20.532 -4.880 24.100 1.00 0.00 C ATOM 0 HA PRO B 27 -17.795 -4.142 22.391 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -17.635 -6.020 24.526 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -17.443 -4.291 24.739 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -19.568 -5.906 25.723 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -19.448 -4.159 25.809 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -21.001 -5.841 23.890 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -21.321 -4.207 24.435 1.00 0.00 H new ATOM 1596 N GLU B 28 -17.837 -6.049 20.892 1.00 0.00 N ATOM 1597 CA GLU B 28 -17.542 -7.226 20.085 1.00 0.00 C ATOM 1598 C GLU B 28 -16.222 -7.021 19.348 1.00 0.00 C ATOM 1599 O GLU B 28 -15.472 -6.095 19.669 1.00 0.00 O ATOM 1600 CB GLU B 28 -18.671 -7.508 19.085 1.00 0.00 C ATOM 1601 CG GLU B 28 -18.864 -6.425 18.036 1.00 0.00 C ATOM 1602 CD GLU B 28 -19.761 -6.880 16.904 1.00 0.00 C ATOM 1603 OE1 GLU B 28 -19.243 -7.487 15.943 1.00 0.00 O ATOM 1604 OE2 GLU B 28 -20.983 -6.646 16.974 1.00 0.00 O1- ATOM 0 H GLU B 28 -17.631 -5.162 20.432 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.459 -8.089 20.746 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -18.466 -8.453 18.581 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -19.604 -7.635 19.635 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -19.294 -5.540 18.505 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -17.894 -6.134 17.634 1.00 0.00 H new ATOM 1611 N ASN B 29 -15.931 -7.883 18.380 1.00 0.00 N ATOM 1612 CA ASN B 29 -14.728 -7.733 17.567 1.00 0.00 C ATOM 1613 C ASN B 29 -14.888 -6.555 16.612 1.00 0.00 C ATOM 1614 O ASN B 29 -14.114 -5.597 16.665 1.00 0.00 O ATOM 1615 CB ASN B 29 -14.431 -9.024 16.793 1.00 0.00 C ATOM 1616 CG ASN B 29 -13.244 -8.886 15.856 1.00 0.00 C ATOM 1617 OD1 ASN B 29 -12.094 -9.017 16.273 1.00 0.00 O ATOM 1618 ND2 ASN B 29 -13.506 -8.653 14.578 1.00 0.00 N ATOM 0 H ASN B 29 -16.508 -8.689 18.139 1.00 0.00 H new ATOM 0 HA ASN B 29 -13.883 -7.536 18.226 1.00 0.00 H new ATOM 0 HB2 ASN B 29 -14.238 -9.831 17.500 1.00 0.00 H new ATOM 0 HB3 ASN B 29 -15.312 -9.308 16.217 1.00 0.00 H new ATOM 0 HD21 ASN B 29 -12.742 -8.577 13.906 1.00 0.00 H new ATOM 0 HD22 ASN B 29 -14.472 -8.550 14.266 1.00 0.00 H new ATOM 1625 N ASN B 30 -15.903 -6.642 15.750 1.00 0.00 N ATOM 1626 CA ASN B 30 -16.277 -5.554 14.841 1.00 0.00 C ATOM 1627 C ASN B 30 -17.358 -6.032 13.883 1.00 0.00 C ATOM 1628 O ASN B 30 -17.289 -7.151 13.371 1.00 0.00 O ATOM 1629 CB ASN B 30 -15.079 -5.028 14.033 1.00 0.00 C ATOM 1630 CG ASN B 30 -15.455 -3.839 13.165 1.00 0.00 C ATOM 1631 OD1 ASN B 30 -16.380 -3.093 13.481 1.00 0.00 O ATOM 1632 ND2 ASN B 30 -14.737 -3.648 12.073 1.00 0.00 N ATOM 0 H ASN B 30 -16.491 -7.471 15.662 1.00 0.00 H new ATOM 0 HA ASN B 30 -16.649 -4.734 15.455 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -14.280 -4.740 14.716 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -14.688 -5.827 13.403 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -14.942 -2.860 11.459 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -13.977 -4.289 11.844 1.00 0.00 H new ATOM 1639 N VAL B 31 -18.354 -5.187 13.649 1.00 0.00 N ATOM 1640 CA VAL B 31 -19.459 -5.521 12.759 1.00 0.00 C ATOM 1641 C VAL B 31 -18.980 -5.616 11.319 1.00 0.00 C ATOM 1642 O VAL B 31 -19.510 -6.389 10.517 1.00 0.00 O ATOM 1643 CB VAL B 31 -20.599 -4.483 12.869 1.00 0.00 C ATOM 1644 CG1 VAL B 31 -21.734 -4.807 11.910 1.00 0.00 C ATOM 1645 CG2 VAL B 31 -21.113 -4.414 14.300 1.00 0.00 C ATOM 0 H VAL B 31 -18.419 -4.259 14.067 1.00 0.00 H new ATOM 0 HA VAL B 31 -19.848 -6.492 13.066 1.00 0.00 H new ATOM 0 HB VAL B 31 -20.197 -3.509 12.592 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -22.520 -4.059 12.011 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.358 -4.803 10.887 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -22.138 -5.792 12.144 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -21.916 -3.679 14.363 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -21.492 -5.392 14.598 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -20.300 -4.122 14.965 1.00 0.00 H new ATOM 1655 N LEU B 32 -17.949 -4.841 11.036 1.00 0.00 N ATOM 1656 CA LEU B 32 -17.312 -4.792 9.718 1.00 0.00 C ATOM 1657 C LEU B 32 -18.236 -4.195 8.659 1.00 0.00 C ATOM 1658 O LEU B 32 -19.230 -4.803 8.256 1.00 0.00 O ATOM 1659 CB LEU B 32 -16.831 -6.184 9.282 1.00 0.00 C ATOM 1660 CG LEU B 32 -15.634 -6.737 10.060 1.00 0.00 C ATOM 1661 CD1 LEU B 32 -15.378 -8.185 9.681 1.00 0.00 C ATOM 1662 CD2 LEU B 32 -14.393 -5.894 9.792 1.00 0.00 C ATOM 0 H LEU B 32 -17.519 -4.217 11.719 1.00 0.00 H new ATOM 0 HA LEU B 32 -16.445 -4.138 9.810 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -17.661 -6.884 9.379 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -16.569 -6.145 8.225 1.00 0.00 H new ATOM 0 HG LEU B 32 -15.863 -6.692 11.125 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -14.524 -8.563 10.243 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -16.259 -8.783 9.914 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -15.167 -8.250 8.614 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -13.550 -6.299 10.352 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -14.164 -5.913 8.727 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -14.577 -4.866 10.106 1.00 0.00 H new ATOM 1674 N SER B 33 -17.915 -2.988 8.230 1.00 0.00 N ATOM 1675 CA SER B 33 -18.603 -2.375 7.113 1.00 0.00 C ATOM 1676 C SER B 33 -18.122 -3.014 5.811 1.00 0.00 C ATOM 1677 O SER B 33 -16.919 -3.105 5.570 1.00 0.00 O ATOM 1678 CB SER B 33 -18.354 -0.866 7.112 1.00 0.00 C ATOM 1679 OG SER B 33 -18.781 -0.294 8.338 1.00 0.00 O ATOM 0 H SER B 33 -17.180 -2.413 8.641 1.00 0.00 H new ATOM 0 HA SER B 33 -19.677 -2.539 7.205 1.00 0.00 H new ATOM 0 HB2 SER B 33 -17.293 -0.666 6.960 1.00 0.00 H new ATOM 0 HB3 SER B 33 -18.888 -0.403 6.282 1.00 0.00 H new ATOM 0 HG SER B 33 -18.614 0.672 8.324 1.00 0.00 H new ATOM 1685 N PRO B 34 -19.061 -3.482 4.975 1.00 0.00 N ATOM 1686 CA PRO B 34 -18.753 -4.235 3.752 1.00 0.00 C ATOM 1687 C PRO B 34 -17.769 -3.523 2.828 1.00 0.00 C ATOM 1688 O PRO B 34 -18.040 -2.431 2.320 1.00 0.00 O ATOM 1689 CB PRO B 34 -20.114 -4.381 3.071 1.00 0.00 C ATOM 1690 CG PRO B 34 -21.100 -4.278 4.179 1.00 0.00 C ATOM 1691 CD PRO B 34 -20.510 -3.313 5.163 1.00 0.00 C ATOM 0 HA PRO B 34 -18.266 -5.181 3.986 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -20.271 -3.600 2.327 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -20.198 -5.336 2.553 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -22.064 -3.923 3.813 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -21.273 -5.250 4.640 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -20.825 -2.289 4.961 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -20.813 -3.544 6.184 1.00 0.00 H new ATOM 1699 N LEU B 35 -16.626 -4.160 2.617 1.00 0.00 N ATOM 1700 CA LEU B 35 -15.604 -3.646 1.722 1.00 0.00 C ATOM 1701 C LEU B 35 -15.552 -4.503 0.457 1.00 0.00 C ATOM 1702 O LEU B 35 -15.508 -5.731 0.539 1.00 0.00 O ATOM 1703 CB LEU B 35 -14.240 -3.655 2.423 1.00 0.00 C ATOM 1704 CG LEU B 35 -13.092 -3.011 1.643 1.00 0.00 C ATOM 1705 CD1 LEU B 35 -13.292 -1.506 1.537 1.00 0.00 C ATOM 1706 CD2 LEU B 35 -11.758 -3.328 2.303 1.00 0.00 C ATOM 0 H LEU B 35 -16.383 -5.046 3.061 1.00 0.00 H new ATOM 0 HA LEU B 35 -15.849 -2.620 1.448 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -14.339 -3.141 3.379 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.971 -4.688 2.643 1.00 0.00 H new ATOM 0 HG LEU B 35 -13.086 -3.426 0.635 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -12.465 -1.067 0.979 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -14.229 -1.299 1.020 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -13.326 -1.072 2.536 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -10.952 -2.863 1.736 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -11.755 -2.941 3.322 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -11.610 -4.408 2.324 1.00 0.00 H new ATOM 1718 N PRO B 36 -15.590 -3.872 -0.726 1.00 0.00 N ATOM 1719 CA PRO B 36 -15.520 -4.584 -2.007 1.00 0.00 C ATOM 1720 C PRO B 36 -14.194 -5.319 -2.192 1.00 0.00 C ATOM 1721 O PRO B 36 -13.164 -4.920 -1.645 1.00 0.00 O ATOM 1722 CB PRO B 36 -15.661 -3.472 -3.055 1.00 0.00 C ATOM 1723 CG PRO B 36 -16.245 -2.316 -2.319 1.00 0.00 C ATOM 1724 CD PRO B 36 -15.724 -2.421 -0.917 1.00 0.00 C ATOM 0 HA PRO B 36 -16.289 -5.353 -2.080 1.00 0.00 H new ATOM 0 HB2 PRO B 36 -14.695 -3.215 -3.489 1.00 0.00 H new ATOM 0 HB3 PRO B 36 -16.307 -3.784 -3.876 1.00 0.00 H new ATOM 0 HG2 PRO B 36 -15.950 -1.372 -2.776 1.00 0.00 H new ATOM 0 HG3 PRO B 36 -17.334 -2.352 -2.335 1.00 0.00 H new ATOM 0 HD2 PRO B 36 -14.769 -1.908 -0.801 1.00 0.00 H new ATOM 0 HD3 PRO B 36 -16.412 -1.980 -0.196 1.00 0.00 H new ATOM 1732 N SER B 37 -14.219 -6.380 -2.985 1.00 0.00 N ATOM 1733 CA SER B 37 -13.033 -7.193 -3.230 1.00 0.00 C ATOM 1734 C SER B 37 -12.270 -6.679 -4.452 1.00 0.00 C ATOM 1735 O SER B 37 -11.409 -7.373 -4.998 1.00 0.00 O ATOM 1736 CB SER B 37 -13.446 -8.651 -3.444 1.00 0.00 C ATOM 1737 OG SER B 37 -14.236 -9.121 -2.361 1.00 0.00 O ATOM 0 H SER B 37 -15.054 -6.701 -3.474 1.00 0.00 H new ATOM 0 HA SER B 37 -12.376 -7.126 -2.363 1.00 0.00 H new ATOM 0 HB2 SER B 37 -14.007 -8.741 -4.374 1.00 0.00 H new ATOM 0 HB3 SER B 37 -12.557 -9.273 -3.547 1.00 0.00 H new ATOM 0 HG SER B 37 -14.489 -10.054 -2.521 1.00 0.00 H new ATOM 1743 N GLN B 38 -12.585 -5.452 -4.857 1.00 0.00 N ATOM 1744 CA GLN B 38 -12.000 -4.844 -6.052 1.00 0.00 C ATOM 1745 C GLN B 38 -10.477 -4.752 -5.947 1.00 0.00 C ATOM 1746 O GLN B 38 -9.753 -5.400 -6.704 1.00 0.00 O ATOM 1747 CB GLN B 38 -12.592 -3.448 -6.268 1.00 0.00 C ATOM 1748 CG GLN B 38 -12.075 -2.744 -7.516 1.00 0.00 C ATOM 1749 CD GLN B 38 -12.547 -1.306 -7.602 1.00 0.00 C ATOM 1750 OE1 GLN B 38 -12.766 -0.654 -6.582 1.00 0.00 O ATOM 1751 NE2 GLN B 38 -12.711 -0.801 -8.811 1.00 0.00 N ATOM 0 H GLN B 38 -13.250 -4.852 -4.369 1.00 0.00 H new ATOM 0 HA GLN B 38 -12.240 -5.480 -6.904 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -13.677 -3.530 -6.333 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -12.370 -2.831 -5.397 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -10.985 -2.767 -7.519 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -12.407 -3.287 -8.401 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -12.519 -1.373 -9.633 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -13.030 0.161 -8.923 1.00 0.00 H new ATOM 1760 N ALA B 39 -9.996 -3.947 -5.011 1.00 0.00 N ATOM 1761 CA ALA B 39 -8.563 -3.741 -4.846 1.00 0.00 C ATOM 1762 C ALA B 39 -7.942 -4.879 -4.052 1.00 0.00 C ATOM 1763 O ALA B 39 -8.141 -4.979 -2.841 1.00 0.00 O ATOM 1764 CB ALA B 39 -8.291 -2.411 -4.163 1.00 0.00 C ATOM 0 H ALA B 39 -10.576 -3.425 -4.354 1.00 0.00 H new ATOM 0 HA ALA B 39 -8.107 -3.724 -5.836 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -7.216 -2.274 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -8.697 -1.601 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -8.765 -2.402 -3.181 1.00 0.00 H new ATOM 1770 N MET B 40 -7.224 -5.753 -4.740 1.00 0.00 N ATOM 1771 CA MET B 40 -6.572 -6.880 -4.090 1.00 0.00 C ATOM 1772 C MET B 40 -5.120 -6.991 -4.522 1.00 0.00 C ATOM 1773 O MET B 40 -4.225 -7.184 -3.704 1.00 0.00 O ATOM 1774 CB MET B 40 -7.313 -8.177 -4.403 1.00 0.00 C ATOM 1775 CG MET B 40 -6.837 -9.357 -3.573 1.00 0.00 C ATOM 1776 SD MET B 40 -7.799 -10.850 -3.874 1.00 0.00 S ATOM 1777 CE MET B 40 -7.110 -11.946 -2.635 1.00 0.00 C ATOM 0 H MET B 40 -7.078 -5.704 -5.748 1.00 0.00 H new ATOM 0 HA MET B 40 -6.598 -6.709 -3.014 1.00 0.00 H new ATOM 0 HB2 MET B 40 -8.379 -8.028 -4.232 1.00 0.00 H new ATOM 0 HB3 MET B 40 -7.189 -8.412 -5.460 1.00 0.00 H new ATOM 0 HG2 MET B 40 -5.788 -9.554 -3.796 1.00 0.00 H new ATOM 0 HG3 MET B 40 -6.895 -9.099 -2.515 1.00 0.00 H new ATOM 0 HE1 MET B 40 -7.117 -12.969 -3.010 1.00 0.00 H new ATOM 0 HE2 MET B 40 -6.085 -11.647 -2.414 1.00 0.00 H new ATOM 0 HE3 MET B 40 -7.708 -11.889 -1.726 1.00 0.00 H new ATOM 1787 N ASP B 41 -4.904 -6.846 -5.812 1.00 0.00 N ATOM 1788 CA ASP B 41 -3.575 -6.955 -6.403 1.00 0.00 C ATOM 1789 C ASP B 41 -2.764 -5.702 -6.110 1.00 0.00 C ATOM 1790 O ASP B 41 -1.639 -5.762 -5.613 1.00 0.00 O ATOM 1791 CB ASP B 41 -3.705 -7.164 -7.914 1.00 0.00 C ATOM 1792 CG ASP B 41 -2.370 -7.245 -8.619 1.00 0.00 C ATOM 1793 OD1 ASP B 41 -1.774 -8.342 -8.642 1.00 0.00 O1- ATOM 1794 OD2 ASP B 41 -1.930 -6.221 -9.185 1.00 0.00 O ATOM 0 H ASP B 41 -5.643 -6.649 -6.487 1.00 0.00 H new ATOM 0 HA ASP B 41 -3.056 -7.809 -5.967 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -4.264 -8.081 -8.101 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -4.285 -6.345 -8.339 1.00 0.00 H new ATOM 1799 N ASP B 42 -3.372 -4.564 -6.390 1.00 0.00 N ATOM 1800 CA ASP B 42 -2.764 -3.263 -6.126 1.00 0.00 C ATOM 1801 C ASP B 42 -3.274 -2.722 -4.798 1.00 0.00 C ATOM 1802 O ASP B 42 -3.311 -1.512 -4.573 1.00 0.00 O ATOM 1803 CB ASP B 42 -3.093 -2.289 -7.259 1.00 0.00 C ATOM 1804 CG ASP B 42 -4.582 -2.207 -7.537 1.00 0.00 C ATOM 1805 OD1 ASP B 42 -5.100 -3.067 -8.284 1.00 0.00 O1- ATOM 1806 OD2 ASP B 42 -5.247 -1.294 -7.007 1.00 0.00 O ATOM 0 H ASP B 42 -4.301 -4.510 -6.807 1.00 0.00 H new ATOM 0 HA ASP B 42 -1.681 -3.376 -6.071 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -2.719 -1.298 -7.002 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -2.574 -2.601 -8.165 1.00 0.00 H new ATOM 1811 N LEU B 43 -3.632 -3.652 -3.917 1.00 0.00 N ATOM 1812 CA LEU B 43 -4.267 -3.343 -2.641 1.00 0.00 C ATOM 1813 C LEU B 43 -3.424 -2.365 -1.821 1.00 0.00 C ATOM 1814 O LEU B 43 -3.877 -1.265 -1.502 1.00 0.00 O ATOM 1815 CB LEU B 43 -4.489 -4.651 -1.867 1.00 0.00 C ATOM 1816 CG LEU B 43 -5.599 -4.639 -0.807 1.00 0.00 C ATOM 1817 CD1 LEU B 43 -5.946 -6.065 -0.401 1.00 0.00 C ATOM 1818 CD2 LEU B 43 -5.186 -3.832 0.419 1.00 0.00 C ATOM 0 H LEU B 43 -3.488 -4.650 -4.071 1.00 0.00 H new ATOM 0 HA LEU B 43 -5.226 -2.860 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -4.712 -5.439 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -3.553 -4.921 -1.378 1.00 0.00 H new ATOM 0 HG LEU B 43 -6.477 -4.163 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -6.734 -6.047 0.351 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -6.290 -6.618 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -5.062 -6.551 0.011 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -5.994 -3.843 1.151 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -4.291 -4.272 0.860 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -4.977 -2.804 0.124 1.00 0.00 H new ATOM 1830 N MET B 44 -2.206 -2.763 -1.477 1.00 0.00 N ATOM 1831 CA MET B 44 -1.347 -1.927 -0.644 1.00 0.00 C ATOM 1832 C MET B 44 -0.488 -1.016 -1.498 1.00 0.00 C ATOM 1833 O MET B 44 -0.705 0.196 -1.556 1.00 0.00 O ATOM 1834 CB MET B 44 -0.423 -2.770 0.237 1.00 0.00 C ATOM 1835 CG MET B 44 -1.120 -3.839 1.052 1.00 0.00 C ATOM 1836 SD MET B 44 -1.581 -5.268 0.053 1.00 0.00 S ATOM 1837 CE MET B 44 -2.192 -6.380 1.312 1.00 0.00 C ATOM 0 H MET B 44 -1.792 -3.652 -1.758 1.00 0.00 H new ATOM 0 HA MET B 44 -2.007 -1.334 -0.011 1.00 0.00 H new ATOM 0 HB2 MET B 44 0.324 -3.247 -0.397 1.00 0.00 H new ATOM 0 HB3 MET B 44 0.112 -2.107 0.917 1.00 0.00 H new ATOM 0 HG2 MET B 44 -0.465 -4.160 1.862 1.00 0.00 H new ATOM 0 HG3 MET B 44 -2.013 -3.417 1.513 1.00 0.00 H new ATOM 0 HE1 MET B 44 -2.017 -7.411 1.003 1.00 0.00 H new ATOM 0 HE2 MET B 44 -1.671 -6.189 2.250 1.00 0.00 H new ATOM 0 HE3 MET B 44 -3.261 -6.220 1.451 1.00 0.00 H new ATOM 1847 N LEU B 45 0.480 -1.612 -2.171 1.00 0.00 N ATOM 1848 CA LEU B 45 1.428 -0.853 -2.960 1.00 0.00 C ATOM 1849 C LEU B 45 0.943 -0.749 -4.403 1.00 0.00 C ATOM 1850 O LEU B 45 1.222 -1.612 -5.234 1.00 0.00 O ATOM 1851 CB LEU B 45 2.837 -1.477 -2.877 1.00 0.00 C ATOM 1852 CG LEU B 45 3.431 -1.576 -1.459 1.00 0.00 C ATOM 1853 CD1 LEU B 45 4.914 -1.934 -1.493 1.00 0.00 C ATOM 1854 CD2 LEU B 45 3.233 -0.274 -0.716 1.00 0.00 C ATOM 0 H LEU B 45 0.629 -2.621 -2.186 1.00 0.00 H new ATOM 0 HA LEU B 45 1.498 0.156 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU B 45 2.799 -2.478 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU B 45 3.514 -0.889 -3.496 1.00 0.00 H new ATOM 0 HG LEU B 45 2.904 -2.375 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU B 45 5.297 -1.995 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU B 45 5.045 -2.896 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU B 45 5.461 -1.167 -2.041 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.657 -0.358 0.284 1.00 0.00 H new ATOM 0 HD22 LEU B 45 3.731 0.532 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU B 45 2.168 -0.056 -0.641 1.00 0.00 H new ATOM 1866 N SER B 46 0.166 0.291 -4.674 1.00 0.00 N ATOM 1867 CA SER B 46 -0.311 0.564 -6.017 1.00 0.00 C ATOM 1868 C SER B 46 0.819 1.173 -6.843 1.00 0.00 C ATOM 1869 O SER B 46 1.568 2.009 -6.340 1.00 0.00 O ATOM 1870 CB SER B 46 -1.497 1.527 -5.964 1.00 0.00 C ATOM 1871 OG SER B 46 -2.454 1.109 -5.002 1.00 0.00 O ATOM 0 H SER B 46 -0.148 0.963 -3.973 1.00 0.00 H new ATOM 0 HA SER B 46 -0.636 -0.367 -6.481 1.00 0.00 H new ATOM 0 HB2 SER B 46 -1.145 2.529 -5.719 1.00 0.00 H new ATOM 0 HB3 SER B 46 -1.966 1.585 -6.946 1.00 0.00 H new ATOM 0 HG SER B 46 -2.586 0.140 -5.071 1.00 0.00 H new ATOM 1877 N PRO B 47 0.946 0.786 -8.123 1.00 0.00 N ATOM 1878 CA PRO B 47 2.055 1.216 -8.997 1.00 0.00 C ATOM 1879 C PRO B 47 2.028 2.711 -9.327 1.00 0.00 C ATOM 1880 O PRO B 47 2.729 3.171 -10.229 1.00 0.00 O ATOM 1881 CB PRO B 47 1.855 0.401 -10.274 1.00 0.00 C ATOM 1882 CG PRO B 47 0.874 -0.669 -9.924 1.00 0.00 C ATOM 1883 CD PRO B 47 0.019 -0.106 -8.832 1.00 0.00 C ATOM 0 HA PRO B 47 3.015 1.054 -8.507 1.00 0.00 H new ATOM 0 HB2 PRO B 47 1.479 1.027 -11.083 1.00 0.00 H new ATOM 0 HB3 PRO B 47 2.797 -0.028 -10.615 1.00 0.00 H new ATOM 0 HG2 PRO B 47 0.271 -0.943 -10.789 1.00 0.00 H new ATOM 0 HG3 PRO B 47 1.385 -1.573 -9.592 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -0.840 0.435 -9.229 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -0.370 -0.887 -8.179 1.00 0.00 H new ATOM 1891 N ASP B 48 1.215 3.458 -8.597 1.00 0.00 N ATOM 1892 CA ASP B 48 1.084 4.894 -8.795 1.00 0.00 C ATOM 1893 C ASP B 48 2.395 5.594 -8.460 1.00 0.00 C ATOM 1894 O ASP B 48 3.065 6.147 -9.331 1.00 0.00 O ATOM 1895 CB ASP B 48 -0.028 5.468 -7.899 1.00 0.00 C ATOM 1896 CG ASP B 48 -1.364 4.754 -8.028 1.00 0.00 C ATOM 1897 OD1 ASP B 48 -1.467 3.786 -8.807 1.00 0.00 O ATOM 1898 OD2 ASP B 48 -2.315 5.147 -7.320 1.00 0.00 O1- ATOM 0 H ASP B 48 0.627 3.087 -7.851 1.00 0.00 H new ATOM 0 HA ASP B 48 0.830 5.066 -9.841 1.00 0.00 H new ATOM 0 HB2 ASP B 48 0.298 5.421 -6.860 1.00 0.00 H new ATOM 0 HB3 ASP B 48 -0.167 6.522 -8.142 1.00 0.00 H new ATOM 1903 N ASP B 49 2.745 5.564 -7.182 1.00 0.00 N ATOM 1904 CA ASP B 49 3.929 6.258 -6.676 1.00 0.00 C ATOM 1905 C ASP B 49 5.085 5.289 -6.437 1.00 0.00 C ATOM 1906 O ASP B 49 6.253 5.646 -6.565 1.00 0.00 O ATOM 1907 CB ASP B 49 3.573 6.969 -5.361 1.00 0.00 C ATOM 1908 CG ASP B 49 4.693 7.838 -4.815 1.00 0.00 C ATOM 1909 OD1 ASP B 49 5.645 7.297 -4.216 1.00 0.00 O ATOM 1910 OD2 ASP B 49 4.609 9.076 -4.959 1.00 0.00 O1- ATOM 0 H ASP B 49 2.221 5.061 -6.466 1.00 0.00 H new ATOM 0 HA ASP B 49 4.248 6.984 -7.424 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.690 7.587 -5.520 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.308 6.221 -4.614 1.00 0.00 H new ATOM 1915 N ILE B 50 4.740 4.047 -6.132 1.00 0.00 N ATOM 1916 CA ILE B 50 5.680 3.095 -5.541 1.00 0.00 C ATOM 1917 C ILE B 50 6.819 2.690 -6.450 1.00 0.00 C ATOM 1918 O ILE B 50 7.848 2.242 -5.958 1.00 0.00 O ATOM 1919 CB ILE B 50 4.974 1.810 -5.114 1.00 0.00 C ATOM 1920 CG1 ILE B 50 4.490 1.043 -6.347 1.00 0.00 C ATOM 1921 CG2 ILE B 50 3.824 2.166 -4.208 1.00 0.00 C ATOM 1922 CD1 ILE B 50 3.992 -0.351 -6.049 1.00 0.00 C ATOM 0 H ILE B 50 3.805 3.668 -6.285 1.00 0.00 H new ATOM 0 HA ILE B 50 6.094 3.634 -4.688 1.00 0.00 H new ATOM 0 HB ILE B 50 5.665 1.164 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.689 1.609 -6.823 1.00 0.00 H new ATOM 0 HG13 ILE B 50 5.307 0.980 -7.066 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.311 1.256 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE B 50 4.201 2.689 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE B 50 3.126 2.811 -4.742 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.668 -0.827 -6.974 1.00 0.00 H new ATOM 0 HD12 ILE B 50 4.795 -0.937 -5.602 1.00 0.00 H new ATOM 0 HD13 ILE B 50 3.153 -0.297 -5.355 1.00 0.00 H new ATOM 1934 N GLU B 51 6.656 2.831 -7.761 1.00 0.00 N ATOM 1935 CA GLU B 51 7.615 2.247 -8.687 1.00 0.00 C ATOM 1936 C GLU B 51 8.998 2.884 -8.520 1.00 0.00 C ATOM 1937 O GLU B 51 10.005 2.377 -9.016 1.00 0.00 O ATOM 1938 CB GLU B 51 7.125 2.347 -10.134 1.00 0.00 C ATOM 1939 CG GLU B 51 7.959 1.514 -11.095 1.00 0.00 C ATOM 1940 CD GLU B 51 7.364 1.409 -12.481 1.00 0.00 C ATOM 1941 OE1 GLU B 51 7.391 2.412 -13.219 1.00 0.00 O ATOM 1942 OE2 GLU B 51 6.894 0.309 -12.844 1.00 0.00 O1- ATOM 0 H GLU B 51 5.884 3.334 -8.199 1.00 0.00 H new ATOM 0 HA GLU B 51 7.706 1.188 -8.447 1.00 0.00 H new ATOM 0 HB2 GLU B 51 6.086 2.021 -10.185 1.00 0.00 H new ATOM 0 HB3 GLU B 51 7.148 3.390 -10.450 1.00 0.00 H new ATOM 0 HG2 GLU B 51 8.956 1.949 -11.169 1.00 0.00 H new ATOM 0 HG3 GLU B 51 8.079 0.512 -10.684 1.00 0.00 H new ATOM 1949 N GLN B 52 9.041 3.984 -7.781 1.00 0.00 N ATOM 1950 CA GLN B 52 10.298 4.612 -7.414 1.00 0.00 C ATOM 1951 C GLN B 52 11.153 3.634 -6.594 1.00 0.00 C ATOM 1952 O GLN B 52 12.381 3.629 -6.689 1.00 0.00 O ATOM 1953 CB GLN B 52 10.037 5.884 -6.602 1.00 0.00 C ATOM 1954 CG GLN B 52 8.954 6.775 -7.187 1.00 0.00 C ATOM 1955 CD GLN B 52 8.849 8.113 -6.473 1.00 0.00 C ATOM 1956 OE1 GLN B 52 9.535 9.076 -6.820 1.00 0.00 O ATOM 1957 NE2 GLN B 52 7.967 8.192 -5.491 1.00 0.00 N ATOM 0 H GLN B 52 8.213 4.461 -7.423 1.00 0.00 H new ATOM 0 HA GLN B 52 10.836 4.879 -8.324 1.00 0.00 H new ATOM 0 HB2 GLN B 52 9.755 5.604 -5.587 1.00 0.00 H new ATOM 0 HB3 GLN B 52 10.963 6.454 -6.530 1.00 0.00 H new ATOM 0 HG2 GLN B 52 9.161 6.946 -8.243 1.00 0.00 H new ATOM 0 HG3 GLN B 52 7.995 6.260 -7.129 1.00 0.00 H new ATOM 0 HE21 GLN B 52 7.417 7.373 -5.232 1.00 0.00 H new ATOM 0 HE22 GLN B 52 7.836 9.072 -4.992 1.00 0.00 H new ATOM 1966 N TRP B 53 10.486 2.782 -5.816 1.00 0.00 N ATOM 1967 CA TRP B 53 11.172 1.838 -4.943 1.00 0.00 C ATOM 1968 C TRP B 53 10.676 0.398 -5.143 1.00 0.00 C ATOM 1969 O TRP B 53 11.477 -0.536 -5.178 1.00 0.00 O ATOM 1970 CB TRP B 53 11.052 2.259 -3.470 1.00 0.00 C ATOM 1971 CG TRP B 53 9.761 2.944 -3.125 1.00 0.00 C ATOM 1972 CD1 TRP B 53 9.439 4.245 -3.380 1.00 0.00 C ATOM 1973 CD2 TRP B 53 8.640 2.383 -2.437 1.00 0.00 C ATOM 1974 NE1 TRP B 53 8.179 4.518 -2.920 1.00 0.00 N ATOM 1975 CE2 TRP B 53 7.668 3.394 -2.330 1.00 0.00 C ATOM 1976 CE3 TRP B 53 8.360 1.124 -1.907 1.00 0.00 C ATOM 1977 CZ2 TRP B 53 6.439 3.185 -1.713 1.00 0.00 C ATOM 1978 CZ3 TRP B 53 7.142 0.917 -1.293 1.00 0.00 C ATOM 1979 CH2 TRP B 53 6.194 1.942 -1.201 1.00 0.00 C ATOM 0 H TRP B 53 9.468 2.728 -5.775 1.00 0.00 H new ATOM 0 HA TRP B 53 12.226 1.857 -5.220 1.00 0.00 H new ATOM 0 HB2 TRP B 53 11.159 1.375 -2.842 1.00 0.00 H new ATOM 0 HB3 TRP B 53 11.879 2.925 -3.226 1.00 0.00 H new ATOM 0 HD1 TRP B 53 10.085 4.956 -3.873 1.00 0.00 H new ATOM 0 HE1 TRP B 53 7.699 5.414 -3.003 1.00 0.00 H new ATOM 0 HE3 TRP B 53 9.084 0.325 -1.976 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 5.706 3.975 -1.641 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 6.916 -0.053 -0.876 1.00 0.00 H new ATOM 0 HH2 TRP B 53 5.249 1.747 -0.715 1.00 0.00 H new ATOM 1990 N PHE B 54 9.366 0.213 -5.276 1.00 0.00 N ATOM 1991 CA PHE B 54 8.811 -1.116 -5.521 1.00 0.00 C ATOM 1992 C PHE B 54 8.696 -1.357 -7.024 1.00 0.00 C ATOM 1993 O PHE B 54 7.817 -0.813 -7.690 1.00 0.00 O ATOM 1994 CB PHE B 54 7.438 -1.290 -4.835 1.00 0.00 C ATOM 1995 CG PHE B 54 6.845 -2.682 -4.956 1.00 0.00 C ATOM 1996 CD1 PHE B 54 7.568 -3.725 -5.519 1.00 0.00 C ATOM 1997 CD2 PHE B 54 5.556 -2.944 -4.510 1.00 0.00 C ATOM 1998 CE1 PHE B 54 7.023 -4.987 -5.634 1.00 0.00 C ATOM 1999 CE2 PHE B 54 5.007 -4.205 -4.625 1.00 0.00 C ATOM 2000 CZ PHE B 54 5.740 -5.227 -5.186 1.00 0.00 C ATOM 0 H PHE B 54 8.673 0.959 -5.219 1.00 0.00 H new ATOM 0 HA PHE B 54 9.487 -1.855 -5.090 1.00 0.00 H new ATOM 0 HB2 PHE B 54 7.540 -1.043 -3.778 1.00 0.00 H new ATOM 0 HB3 PHE B 54 6.738 -0.572 -5.264 1.00 0.00 H new ATOM 0 HD1 PHE B 54 8.573 -3.546 -5.872 1.00 0.00 H new ATOM 0 HD2 PHE B 54 4.975 -2.149 -4.067 1.00 0.00 H new ATOM 0 HE1 PHE B 54 7.600 -5.787 -6.074 1.00 0.00 H new ATOM 0 HE2 PHE B 54 4.002 -4.390 -4.275 1.00 0.00 H new ATOM 0 HZ PHE B 54 5.312 -6.214 -5.275 1.00 0.00 H new ATOM 2010 N THR B 55 9.604 -2.162 -7.550 1.00 0.00 N ATOM 2011 CA THR B 55 9.595 -2.512 -8.959 1.00 0.00 C ATOM 2012 C THR B 55 9.524 -4.022 -9.152 1.00 0.00 C ATOM 2013 O THR B 55 10.293 -4.769 -8.542 1.00 0.00 O ATOM 2014 CB THR B 55 10.852 -1.976 -9.667 1.00 0.00 C ATOM 2015 OG1 THR B 55 12.002 -2.160 -8.824 1.00 0.00 O ATOM 2016 CG2 THR B 55 10.696 -0.508 -10.018 1.00 0.00 C ATOM 0 H THR B 55 10.362 -2.588 -7.017 1.00 0.00 H new ATOM 0 HA THR B 55 8.709 -2.054 -9.397 1.00 0.00 H new ATOM 0 HB THR B 55 10.988 -2.534 -10.593 1.00 0.00 H new ATOM 0 HG1 THR B 55 12.800 -1.819 -9.280 1.00 0.00 H new ATOM 0 HG21 THR B 55 11.599 -0.155 -10.517 1.00 0.00 H new ATOM 0 HG22 THR B 55 9.841 -0.382 -10.682 1.00 0.00 H new ATOM 0 HG23 THR B 55 10.536 0.069 -9.107 1.00 0.00 H new ATOM 2024 N GLU B 56 8.587 -4.464 -9.977 1.00 0.00 N ATOM 2025 CA GLU B 56 8.530 -5.861 -10.378 1.00 0.00 C ATOM 2026 C GLU B 56 9.382 -6.037 -11.627 1.00 0.00 C ATOM 2027 O GLU B 56 9.051 -5.507 -12.689 1.00 0.00 O ATOM 2028 CB GLU B 56 7.086 -6.304 -10.641 1.00 0.00 C ATOM 2029 CG GLU B 56 6.948 -7.797 -10.912 1.00 0.00 C ATOM 2030 CD GLU B 56 5.522 -8.216 -11.213 1.00 0.00 C ATOM 2031 OE1 GLU B 56 4.742 -8.436 -10.264 1.00 0.00 O ATOM 2032 OE2 GLU B 56 5.175 -8.342 -12.407 1.00 0.00 O1- ATOM 0 H GLU B 56 7.857 -3.877 -10.381 1.00 0.00 H new ATOM 0 HA GLU B 56 8.916 -6.486 -9.573 1.00 0.00 H new ATOM 0 HB2 GLU B 56 6.471 -6.041 -9.780 1.00 0.00 H new ATOM 0 HB3 GLU B 56 6.694 -5.750 -11.494 1.00 0.00 H new ATOM 0 HG2 GLU B 56 7.586 -8.068 -11.753 1.00 0.00 H new ATOM 0 HG3 GLU B 56 7.309 -8.353 -10.046 1.00 0.00 H new ATOM 2039 N ASP B 57 10.498 -6.737 -11.481 1.00 0.00 N ATOM 2040 CA ASP B 57 11.446 -6.907 -12.577 1.00 0.00 C ATOM 2041 C ASP B 57 10.797 -7.652 -13.735 1.00 0.00 C ATOM 2042 O ASP B 57 10.145 -8.678 -13.535 1.00 0.00 O ATOM 2043 CB ASP B 57 12.693 -7.666 -12.110 1.00 0.00 C ATOM 2044 CG ASP B 57 13.352 -7.035 -10.901 1.00 0.00 C ATOM 2045 OD1 ASP B 57 12.990 -7.406 -9.764 1.00 0.00 O1- ATOM 2046 OD2 ASP B 57 14.239 -6.177 -11.077 1.00 0.00 O ATOM 0 H ASP B 57 10.771 -7.198 -10.613 1.00 0.00 H new ATOM 0 HA ASP B 57 11.746 -5.915 -12.914 1.00 0.00 H new ATOM 0 HB2 ASP B 57 12.418 -8.694 -11.872 1.00 0.00 H new ATOM 0 HB3 ASP B 57 13.412 -7.710 -12.928 1.00 0.00 H new ATOM 2051 N PRO B 58 10.982 -7.153 -14.965 1.00 0.00 N ATOM 2052 CA PRO B 58 10.345 -7.722 -16.156 1.00 0.00 C ATOM 2053 C PRO B 58 11.036 -8.992 -16.653 1.00 0.00 C ATOM 2054 O PRO B 58 10.797 -9.441 -17.775 1.00 0.00 O ATOM 2055 CB PRO B 58 10.476 -6.597 -17.183 1.00 0.00 C ATOM 2056 CG PRO B 58 11.716 -5.869 -16.792 1.00 0.00 C ATOM 2057 CD PRO B 58 11.828 -5.989 -15.294 1.00 0.00 C ATOM 0 HA PRO B 58 9.318 -8.032 -15.962 1.00 0.00 H new ATOM 0 HB2 PRO B 58 10.552 -6.993 -18.196 1.00 0.00 H new ATOM 0 HB3 PRO B 58 9.607 -5.939 -17.162 1.00 0.00 H new ATOM 0 HG2 PRO B 58 12.589 -6.299 -17.282 1.00 0.00 H new ATOM 0 HG3 PRO B 58 11.664 -4.823 -17.095 1.00 0.00 H new ATOM 0 HD2 PRO B 58 12.861 -6.145 -14.982 1.00 0.00 H new ATOM 0 HD3 PRO B 58 11.477 -5.086 -14.794 1.00 0.00 H new ATOM 2065 N GLY B 59 11.887 -9.565 -15.814 1.00 0.00 N ATOM 2066 CA GLY B 59 12.551 -10.807 -16.158 1.00 0.00 C ATOM 2067 C GLY B 59 13.826 -10.592 -16.944 1.00 0.00 C ATOM 2068 O GLY B 59 14.769 -9.979 -16.440 1.00 0.00 O ATOM 0 H GLY B 59 12.131 -9.190 -14.897 1.00 0.00 H new ATOM 0 HA2 GLY B 59 12.781 -11.356 -15.245 1.00 0.00 H new ATOM 0 HA3 GLY B 59 11.871 -11.428 -16.741 1.00 0.00 H new ATOM 2072 N PRO B 60 13.885 -11.096 -18.188 1.00 0.00 N ATOM 2073 CA PRO B 60 15.069 -10.993 -19.038 1.00 0.00 C ATOM 2074 C PRO B 60 15.181 -9.628 -19.716 1.00 0.00 C ATOM 2075 O PRO B 60 14.825 -9.519 -20.909 1.00 0.00 O ATOM 2076 CB PRO B 60 14.854 -12.095 -20.093 1.00 0.00 C ATOM 2077 CG PRO B 60 13.565 -12.774 -19.740 1.00 0.00 C ATOM 2078 CD PRO B 60 12.808 -11.817 -18.868 1.00 0.00 C ATOM 0 HA PRO B 60 15.989 -11.106 -18.464 1.00 0.00 H new ATOM 0 HB2 PRO B 60 14.807 -11.669 -21.095 1.00 0.00 H new ATOM 0 HB3 PRO B 60 15.681 -12.805 -20.087 1.00 0.00 H new ATOM 0 HG2 PRO B 60 12.995 -13.016 -20.637 1.00 0.00 H new ATOM 0 HG3 PRO B 60 13.751 -13.712 -19.217 1.00 0.00 H new ATOM 0 HD2 PRO B 60 12.176 -11.148 -19.452 1.00 0.00 H new ATOM 0 HD3 PRO B 60 12.158 -12.336 -18.164 1.00 0.00 H new TER 2086 PRO B 60