USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 663 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: C 45 MET CE :methyl -127:sc= -4.14! (180deg=-5.29!) USER MOD Set 1.2: C 50 GLN : amide:sc= -1.19 K(o=-6.5,f=-7.5) USER MOD Set 1.3: C 81 MET CE :methyl 157:sc= -1.24 (180deg=-1.72!) USER MOD Set 1.4: C 84 SER OG : rot -36:sc= 0.0678 USER MOD Set 2.1: C 16 GLN : amide:sc= 0.0466 X(o=0.047,f=-0.18) USER MOD Set 2.2: C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ -101:sc= 0.0581 (180deg=-0.00324) USER MOD Single : C 5 TYR OH : rot 150:sc= 1 USER MOD Single : C 6 LYS NZ :NH3+ -172:sc= 0.0225 (180deg=-0.122) USER MOD Single : C 11 GLN : amide:sc= 0.399 X(o=0.4,f=0) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.198 USER MOD Single : C 17 LYS NZ :NH3+ -164:sc= 1.46 (180deg=1.17) USER MOD Single : C 18 ASN : amide:sc= 0.671 K(o=0.67,f=-0.13) USER MOD Single : C 21 LYS NZ :NH3+ -114:sc= 0.478 (180deg=-0.454) USER MOD Single : C 29 GLN : amide:sc= -0.365 X(o=-0.36,f=-0.19) USER MOD Single : C 35 SER OG : rot -62:sc= 0.00431 USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot 180:sc=-0.00243 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.14) USER MOD Single : C 47 MET CE :methyl -152:sc= -0.352 (180deg=-1.82!) USER MOD Single : C 51 ASN : amide:sc= 0.0309 K(o=0.031,f=-2.8!) USER MOD Single : C 53 THR OG1 : rot 171:sc= -0.86 USER MOD Single : C 58 GLN : amide:sc= 0.0635 X(o=0.063,f=-0.027) USER MOD Single : C 60 MET CE :methyl 154:sc= -1.43 (180deg=-2.53!) USER MOD Single : C 71 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : C 80 MET CE :methyl -137:sc= -5.02! (180deg=-6.46!) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 89 SER OG : rot 31:sc= 0.437 USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 66.275 -13.024 -9.309 1.00 0.00 N ATOM 2 CA MET C 1 65.686 -13.219 -7.947 1.00 0.00 C ATOM 3 C MET C 1 64.719 -12.069 -7.620 1.00 0.00 C ATOM 4 O MET C 1 65.136 -10.969 -7.313 1.00 0.00 O ATOM 5 CB MET C 1 66.881 -13.212 -6.982 1.00 0.00 C ATOM 6 CG MET C 1 67.626 -14.549 -7.059 1.00 0.00 C ATOM 7 SD MET C 1 69.250 -14.289 -7.821 1.00 0.00 S ATOM 8 CE MET C 1 69.433 -15.947 -8.516 1.00 0.00 C ATOM 0 H1 MET C 1 65.784 -13.637 -9.991 1.00 0.00 H new ATOM 0 H2 MET C 1 66.165 -12.030 -9.596 1.00 0.00 H new ATOM 0 H3 MET C 1 67.286 -13.269 -9.288 1.00 0.00 H new ATOM 0 HA MET C 1 65.116 -14.146 -7.874 1.00 0.00 H new ATOM 0 HB2 MET C 1 67.557 -12.395 -7.234 1.00 0.00 H new ATOM 0 HB3 MET C 1 66.535 -13.037 -5.963 1.00 0.00 H new ATOM 0 HG2 MET C 1 67.744 -14.971 -6.061 1.00 0.00 H new ATOM 0 HG3 MET C 1 67.049 -15.267 -7.642 1.00 0.00 H new ATOM 0 HE1 MET C 1 70.385 -16.018 -9.043 1.00 0.00 H new ATOM 0 HE2 MET C 1 69.408 -16.683 -7.713 1.00 0.00 H new ATOM 0 HE3 MET C 1 68.617 -16.142 -9.212 1.00 0.00 H new ATOM 20 N ASP C 2 63.432 -12.313 -7.690 1.00 0.00 N ATOM 21 CA ASP C 2 62.447 -11.225 -7.388 1.00 0.00 C ATOM 22 C ASP C 2 61.318 -11.736 -6.477 1.00 0.00 C ATOM 23 O ASP C 2 60.938 -11.074 -5.534 1.00 0.00 O ATOM 24 CB ASP C 2 61.891 -10.802 -8.752 1.00 0.00 C ATOM 25 CG ASP C 2 61.982 -9.281 -8.895 1.00 0.00 C ATOM 26 OD1 ASP C 2 61.277 -8.594 -8.176 1.00 0.00 O1- ATOM 27 OD2 ASP C 2 62.752 -8.830 -9.725 1.00 0.00 O ATOM 0 H ASP C 2 63.022 -13.213 -7.942 1.00 0.00 H new ATOM 0 HA ASP C 2 62.913 -10.395 -6.858 1.00 0.00 H new ATOM 0 HB2 ASP C 2 62.452 -11.287 -9.551 1.00 0.00 H new ATOM 0 HB3 ASP C 2 60.855 -11.125 -8.849 1.00 0.00 H new ATOM 32 N ASP C 3 60.775 -12.897 -6.761 1.00 0.00 N ATOM 33 CA ASP C 3 59.660 -13.455 -5.922 1.00 0.00 C ATOM 34 C ASP C 3 59.985 -13.390 -4.422 1.00 0.00 C ATOM 35 O ASP C 3 59.167 -12.962 -3.631 1.00 0.00 O ATOM 36 CB ASP C 3 59.508 -14.912 -6.373 1.00 0.00 C ATOM 37 CG ASP C 3 58.027 -15.231 -6.569 1.00 0.00 C ATOM 38 OD1 ASP C 3 57.316 -15.278 -5.579 1.00 0.00 O1- ATOM 39 OD2 ASP C 3 57.626 -15.418 -7.704 1.00 0.00 O ATOM 0 H ASP C 3 61.057 -13.488 -7.543 1.00 0.00 H new ATOM 0 HA ASP C 3 58.744 -12.879 -6.055 1.00 0.00 H new ATOM 0 HB2 ASP C 3 60.053 -15.075 -7.303 1.00 0.00 H new ATOM 0 HB3 ASP C 3 59.940 -15.581 -5.629 1.00 0.00 H new ATOM 44 N ILE C 4 61.166 -13.808 -4.028 1.00 0.00 N ATOM 45 CA ILE C 4 61.536 -13.765 -2.579 1.00 0.00 C ATOM 46 C ILE C 4 61.426 -12.326 -2.044 1.00 0.00 C ATOM 47 O ILE C 4 60.988 -12.108 -0.930 1.00 0.00 O ATOM 48 CB ILE C 4 62.982 -14.288 -2.513 1.00 0.00 C ATOM 49 CG1 ILE C 4 63.413 -14.397 -1.050 1.00 0.00 C ATOM 50 CG2 ILE C 4 63.929 -13.330 -3.243 1.00 0.00 C ATOM 51 CD1 ILE C 4 64.005 -15.785 -0.781 1.00 0.00 C ATOM 0 H ILE C 4 61.888 -14.176 -4.648 1.00 0.00 H new ATOM 0 HA ILE C 4 60.873 -14.370 -1.961 1.00 0.00 H new ATOM 0 HB ILE C 4 63.025 -15.266 -2.992 1.00 0.00 H new ATOM 0 HG12 ILE C 4 64.150 -13.627 -0.821 1.00 0.00 H new ATOM 0 HG13 ILE C 4 62.558 -14.224 -0.396 1.00 0.00 H new ATOM 0 HG21 ILE C 4 64.948 -13.713 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE C 4 63.629 -13.247 -4.288 1.00 0.00 H new ATOM 0 HG23 ILE C 4 63.885 -12.347 -2.774 1.00 0.00 H new ATOM 0 HD11 ILE C 4 64.310 -15.855 0.263 1.00 0.00 H new ATOM 0 HD12 ILE C 4 63.255 -16.547 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE C 4 64.872 -15.941 -1.423 1.00 0.00 H new ATOM 63 N TYR C 5 61.791 -11.344 -2.839 1.00 0.00 N ATOM 64 CA TYR C 5 61.678 -9.921 -2.383 1.00 0.00 C ATOM 65 C TYR C 5 60.229 -9.447 -2.543 1.00 0.00 C ATOM 66 O TYR C 5 59.724 -8.688 -1.737 1.00 0.00 O ATOM 67 CB TYR C 5 62.613 -9.111 -3.287 1.00 0.00 C ATOM 68 CG TYR C 5 64.041 -9.271 -2.817 1.00 0.00 C ATOM 69 CD1 TYR C 5 64.477 -8.603 -1.667 1.00 0.00 C ATOM 70 CD2 TYR C 5 64.929 -10.081 -3.536 1.00 0.00 C ATOM 71 CE1 TYR C 5 65.800 -8.748 -1.233 1.00 0.00 C ATOM 72 CE2 TYR C 5 66.253 -10.226 -3.100 1.00 0.00 C ATOM 73 CZ TYR C 5 66.688 -9.557 -1.950 1.00 0.00 C ATOM 74 OH TYR C 5 67.992 -9.697 -1.522 1.00 0.00 O ATOM 0 H TYR C 5 62.161 -11.468 -3.781 1.00 0.00 H new ATOM 0 HA TYR C 5 61.951 -9.804 -1.334 1.00 0.00 H new ATOM 0 HB2 TYR C 5 62.520 -9.449 -4.319 1.00 0.00 H new ATOM 0 HB3 TYR C 5 62.330 -8.059 -3.269 1.00 0.00 H new ATOM 0 HD1 TYR C 5 63.793 -7.976 -1.115 1.00 0.00 H new ATOM 0 HD2 TYR C 5 64.594 -10.593 -4.426 1.00 0.00 H new ATOM 0 HE1 TYR C 5 66.135 -8.235 -0.344 1.00 0.00 H new ATOM 0 HE2 TYR C 5 66.937 -10.854 -3.651 1.00 0.00 H new ATOM 0 HH TYR C 5 68.327 -10.581 -1.779 1.00 0.00 H new ATOM 84 N LYS C 6 59.552 -9.907 -3.571 1.00 0.00 N ATOM 85 CA LYS C 6 58.126 -9.508 -3.784 1.00 0.00 C ATOM 86 C LYS C 6 57.292 -9.882 -2.551 1.00 0.00 C ATOM 87 O LYS C 6 56.433 -9.134 -2.127 1.00 0.00 O ATOM 88 CB LYS C 6 57.677 -10.314 -5.004 1.00 0.00 C ATOM 89 CG LYS C 6 56.205 -10.029 -5.319 1.00 0.00 C ATOM 90 CD LYS C 6 55.710 -11.029 -6.371 1.00 0.00 C ATOM 91 CE LYS C 6 54.813 -12.092 -5.718 1.00 0.00 C ATOM 92 NZ LYS C 6 55.717 -12.917 -4.861 1.00 0.00 N1+ ATOM 0 H LYS C 6 59.929 -10.544 -4.273 1.00 0.00 H new ATOM 0 HA LYS C 6 58.006 -8.436 -3.937 1.00 0.00 H new ATOM 0 HB2 LYS C 6 58.296 -10.059 -5.864 1.00 0.00 H new ATOM 0 HB3 LYS C 6 57.816 -11.379 -4.816 1.00 0.00 H new ATOM 0 HG2 LYS C 6 55.605 -10.110 -4.413 1.00 0.00 H new ATOM 0 HG3 LYS C 6 56.091 -9.009 -5.687 1.00 0.00 H new ATOM 0 HD2 LYS C 6 55.156 -10.504 -7.149 1.00 0.00 H new ATOM 0 HD3 LYS C 6 56.561 -11.509 -6.855 1.00 0.00 H new ATOM 0 HE2 LYS C 6 54.026 -11.628 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS C 6 54.322 -12.706 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 55.195 -13.739 -4.496 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 56.527 -13.244 -5.425 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 56.060 -12.343 -4.064 1.00 0.00 H new ATOM 106 N ALA C 7 57.558 -11.029 -1.967 1.00 0.00 N ATOM 107 CA ALA C 7 56.798 -11.452 -0.748 1.00 0.00 C ATOM 108 C ALA C 7 57.019 -10.435 0.375 1.00 0.00 C ATOM 109 O ALA C 7 56.102 -10.079 1.091 1.00 0.00 O ATOM 110 CB ALA C 7 57.376 -12.814 -0.367 1.00 0.00 C ATOM 0 H ALA C 7 58.269 -11.689 -2.283 1.00 0.00 H new ATOM 0 HA ALA C 7 55.724 -11.510 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA C 7 56.867 -13.190 0.521 1.00 0.00 H new ATOM 0 HB2 ALA C 7 57.233 -13.513 -1.191 1.00 0.00 H new ATOM 0 HB3 ALA C 7 58.441 -12.712 -0.159 1.00 0.00 H new ATOM 116 N ALA C 8 58.228 -9.948 0.514 1.00 0.00 N ATOM 117 CA ALA C 8 58.507 -8.930 1.569 1.00 0.00 C ATOM 118 C ALA C 8 57.688 -7.671 1.277 1.00 0.00 C ATOM 119 O ALA C 8 56.995 -7.164 2.134 1.00 0.00 O ATOM 120 CB ALA C 8 60.007 -8.641 1.467 1.00 0.00 C ATOM 0 H ALA C 8 59.031 -10.212 -0.057 1.00 0.00 H new ATOM 0 HA ALA C 8 58.240 -9.272 2.569 1.00 0.00 H new ATOM 0 HB1 ALA C 8 60.286 -7.899 2.215 1.00 0.00 H new ATOM 0 HB2 ALA C 8 60.567 -9.560 1.641 1.00 0.00 H new ATOM 0 HB3 ALA C 8 60.237 -8.258 0.473 1.00 0.00 H new ATOM 126 N VAL C 9 57.752 -7.181 0.062 1.00 0.00 N ATOM 127 CA VAL C 9 56.966 -5.960 -0.308 1.00 0.00 C ATOM 128 C VAL C 9 55.462 -6.224 -0.135 1.00 0.00 C ATOM 129 O VAL C 9 54.719 -5.357 0.286 1.00 0.00 O ATOM 130 CB VAL C 9 57.311 -5.686 -1.778 1.00 0.00 C ATOM 131 CG1 VAL C 9 56.349 -4.642 -2.355 1.00 0.00 C ATOM 132 CG2 VAL C 9 58.742 -5.155 -1.861 1.00 0.00 C ATOM 0 H VAL C 9 58.316 -7.575 -0.691 1.00 0.00 H new ATOM 0 HA VAL C 9 57.208 -5.106 0.324 1.00 0.00 H new ATOM 0 HB VAL C 9 57.220 -6.609 -2.350 1.00 0.00 H new ATOM 0 HG11 VAL C 9 56.600 -4.453 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL C 9 55.327 -5.014 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.435 -3.715 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.997 -4.957 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL C 9 58.822 -4.232 -1.286 1.00 0.00 H new ATOM 0 HG23 VAL C 9 59.429 -5.896 -1.454 1.00 0.00 H new ATOM 142 N GLU C 10 55.011 -7.416 -0.446 1.00 0.00 N ATOM 143 CA GLU C 10 53.558 -7.739 -0.285 1.00 0.00 C ATOM 144 C GLU C 10 53.163 -7.672 1.200 1.00 0.00 C ATOM 145 O GLU C 10 52.109 -7.180 1.546 1.00 0.00 O ATOM 146 CB GLU C 10 53.398 -9.164 -0.820 1.00 0.00 C ATOM 147 CG GLU C 10 53.312 -9.134 -2.348 1.00 0.00 C ATOM 148 CD GLU C 10 53.298 -10.566 -2.886 1.00 0.00 C ATOM 149 OE1 GLU C 10 54.345 -11.191 -2.882 1.00 0.00 O1- ATOM 150 OE2 GLU C 10 52.241 -11.014 -3.294 1.00 0.00 O ATOM 0 H GLU C 10 55.586 -8.179 -0.804 1.00 0.00 H new ATOM 0 HA GLU C 10 52.919 -7.035 -0.818 1.00 0.00 H new ATOM 0 HB2 GLU C 10 54.242 -9.778 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU C 10 52.500 -9.620 -0.404 1.00 0.00 H new ATOM 0 HG2 GLU C 10 52.411 -8.607 -2.662 1.00 0.00 H new ATOM 0 HG3 GLU C 10 54.160 -8.588 -2.760 1.00 0.00 H new ATOM 157 N GLN C 11 54.012 -8.159 2.076 1.00 0.00 N ATOM 158 CA GLN C 11 53.699 -8.121 3.541 1.00 0.00 C ATOM 159 C GLN C 11 54.207 -6.814 4.186 1.00 0.00 C ATOM 160 O GLN C 11 53.950 -6.557 5.346 1.00 0.00 O ATOM 161 CB GLN C 11 54.439 -9.324 4.137 1.00 0.00 C ATOM 162 CG GLN C 11 53.717 -10.623 3.769 1.00 0.00 C ATOM 163 CD GLN C 11 54.627 -11.818 4.070 1.00 0.00 C ATOM 164 OE1 GLN C 11 54.297 -12.662 4.877 1.00 0.00 O ATOM 165 NE2 GLN C 11 55.773 -11.926 3.451 1.00 0.00 N ATOM 0 H GLN C 11 54.909 -8.582 1.838 1.00 0.00 H new ATOM 0 HA GLN C 11 52.625 -8.160 3.721 1.00 0.00 H new ATOM 0 HB2 GLN C 11 55.463 -9.351 3.766 1.00 0.00 H new ATOM 0 HB3 GLN C 11 54.495 -9.225 5.221 1.00 0.00 H new ATOM 0 HG2 GLN C 11 52.789 -10.708 4.334 1.00 0.00 H new ATOM 0 HG3 GLN C 11 53.447 -10.615 2.713 1.00 0.00 H new ATOM 0 HE21 GLN C 11 56.054 -11.219 2.772 1.00 0.00 H new ATOM 0 HE22 GLN C 11 56.386 -12.717 3.647 1.00 0.00 H new ATOM 174 N LEU C 12 54.923 -5.992 3.449 1.00 0.00 N ATOM 175 CA LEU C 12 55.441 -4.707 4.028 1.00 0.00 C ATOM 176 C LEU C 12 54.292 -3.714 4.230 1.00 0.00 C ATOM 177 O LEU C 12 53.495 -3.484 3.339 1.00 0.00 O ATOM 178 CB LEU C 12 56.430 -4.156 2.992 1.00 0.00 C ATOM 179 CG LEU C 12 57.861 -4.545 3.371 1.00 0.00 C ATOM 180 CD1 LEU C 12 58.797 -4.233 2.204 1.00 0.00 C ATOM 181 CD2 LEU C 12 58.306 -3.746 4.604 1.00 0.00 C ATOM 0 H LEU C 12 55.170 -6.156 2.473 1.00 0.00 H new ATOM 0 HA LEU C 12 55.912 -4.865 4.998 1.00 0.00 H new ATOM 0 HB2 LEU C 12 56.188 -4.547 2.004 1.00 0.00 H new ATOM 0 HB3 LEU C 12 56.343 -3.071 2.936 1.00 0.00 H new ATOM 0 HG LEU C 12 57.896 -5.611 3.598 1.00 0.00 H new ATOM 0 HD11 LEU C 12 59.817 -4.509 2.472 1.00 0.00 H new ATOM 0 HD12 LEU C 12 58.486 -4.800 1.327 1.00 0.00 H new ATOM 0 HD13 LEU C 12 58.757 -3.167 1.980 1.00 0.00 H new ATOM 0 HD21 LEU C 12 59.325 -4.026 4.871 1.00 0.00 H new ATOM 0 HD22 LEU C 12 58.269 -2.680 4.379 1.00 0.00 H new ATOM 0 HD23 LEU C 12 57.640 -3.964 5.439 1.00 0.00 H new ATOM 193 N THR C 13 54.211 -3.114 5.391 1.00 0.00 N ATOM 194 CA THR C 13 53.123 -2.121 5.656 1.00 0.00 C ATOM 195 C THR C 13 53.374 -0.835 4.858 1.00 0.00 C ATOM 196 O THR C 13 54.501 -0.499 4.535 1.00 0.00 O ATOM 197 CB THR C 13 53.178 -1.842 7.165 1.00 0.00 C ATOM 198 OG1 THR C 13 54.522 -1.597 7.558 1.00 0.00 O ATOM 199 CG2 THR C 13 52.634 -3.050 7.938 1.00 0.00 C ATOM 0 H THR C 13 54.852 -3.269 6.169 1.00 0.00 H new ATOM 0 HA THR C 13 52.145 -2.497 5.355 1.00 0.00 H new ATOM 0 HB THR C 13 52.568 -0.966 7.387 1.00 0.00 H new ATOM 0 HG1 THR C 13 54.554 -1.418 8.521 1.00 0.00 H new ATOM 0 HG21 THR C 13 52.676 -2.846 9.008 1.00 0.00 H new ATOM 0 HG22 THR C 13 51.601 -3.235 7.644 1.00 0.00 H new ATOM 0 HG23 THR C 13 53.238 -3.929 7.712 1.00 0.00 H new ATOM 207 N GLU C 14 52.324 -0.121 4.537 1.00 0.00 N ATOM 208 CA GLU C 14 52.463 1.150 3.754 1.00 0.00 C ATOM 209 C GLU C 14 53.418 2.132 4.452 1.00 0.00 C ATOM 210 O GLU C 14 54.094 2.913 3.807 1.00 0.00 O ATOM 211 CB GLU C 14 51.040 1.720 3.698 1.00 0.00 C ATOM 212 CG GLU C 14 50.212 0.942 2.667 1.00 0.00 C ATOM 213 CD GLU C 14 50.893 1.005 1.297 1.00 0.00 C ATOM 214 OE1 GLU C 14 50.738 2.012 0.625 1.00 0.00 O1- ATOM 215 OE2 GLU C 14 51.558 0.047 0.943 1.00 0.00 O ATOM 0 H GLU C 14 51.366 -0.366 4.786 1.00 0.00 H new ATOM 0 HA GLU C 14 52.884 0.979 2.763 1.00 0.00 H new ATOM 0 HB2 GLU C 14 50.572 1.653 4.680 1.00 0.00 H new ATOM 0 HB3 GLU C 14 51.071 2.776 3.431 1.00 0.00 H new ATOM 0 HG2 GLU C 14 50.105 -0.096 2.982 1.00 0.00 H new ATOM 0 HG3 GLU C 14 49.208 1.361 2.603 1.00 0.00 H new ATOM 222 N GLU C 15 53.479 2.090 5.762 1.00 0.00 N ATOM 223 CA GLU C 15 54.391 3.011 6.511 1.00 0.00 C ATOM 224 C GLU C 15 55.849 2.807 6.066 1.00 0.00 C ATOM 225 O GLU C 15 56.591 3.756 5.882 1.00 0.00 O ATOM 226 CB GLU C 15 54.214 2.619 7.981 1.00 0.00 C ATOM 227 CG GLU C 15 55.108 3.502 8.861 1.00 0.00 C ATOM 228 CD GLU C 15 56.103 2.629 9.634 1.00 0.00 C ATOM 229 OE1 GLU C 15 56.806 1.859 9.002 1.00 0.00 O ATOM 230 OE2 GLU C 15 56.145 2.750 10.845 1.00 0.00 O1- ATOM 0 H GLU C 15 52.934 1.455 6.346 1.00 0.00 H new ATOM 0 HA GLU C 15 54.158 4.061 6.333 1.00 0.00 H new ATOM 0 HB2 GLU C 15 53.171 2.733 8.275 1.00 0.00 H new ATOM 0 HB3 GLU C 15 54.472 1.569 8.121 1.00 0.00 H new ATOM 0 HG2 GLU C 15 55.645 4.221 8.243 1.00 0.00 H new ATOM 0 HG3 GLU C 15 54.496 4.075 9.557 1.00 0.00 H new ATOM 237 N GLN C 16 56.253 1.574 5.887 1.00 0.00 N ATOM 238 CA GLN C 16 57.652 1.278 5.448 1.00 0.00 C ATOM 239 C GLN C 16 57.890 1.852 4.051 1.00 0.00 C ATOM 240 O GLN C 16 58.896 2.478 3.790 1.00 0.00 O ATOM 241 CB GLN C 16 57.732 -0.248 5.431 1.00 0.00 C ATOM 242 CG GLN C 16 57.552 -0.775 6.858 1.00 0.00 C ATOM 243 CD GLN C 16 58.898 -1.258 7.397 1.00 0.00 C ATOM 244 OE1 GLN C 16 59.078 -2.431 7.651 1.00 0.00 O ATOM 245 NE2 GLN C 16 59.861 -0.396 7.586 1.00 0.00 N ATOM 0 H GLN C 16 55.667 0.751 6.028 1.00 0.00 H new ATOM 0 HA GLN C 16 58.405 1.718 6.102 1.00 0.00 H new ATOM 0 HB2 GLN C 16 56.961 -0.658 4.779 1.00 0.00 H new ATOM 0 HB3 GLN C 16 58.693 -0.570 5.030 1.00 0.00 H new ATOM 0 HG2 GLN C 16 57.152 0.010 7.499 1.00 0.00 H new ATOM 0 HG3 GLN C 16 56.830 -1.592 6.867 1.00 0.00 H new ATOM 0 HE21 GLN C 16 59.712 0.590 7.373 1.00 0.00 H new ATOM 0 HE22 GLN C 16 60.762 -0.709 7.946 1.00 0.00 H new ATOM 254 N LYS C 17 56.959 1.655 3.159 1.00 0.00 N ATOM 255 CA LYS C 17 57.118 2.202 1.780 1.00 0.00 C ATOM 256 C LYS C 17 57.093 3.741 1.815 1.00 0.00 C ATOM 257 O LYS C 17 57.716 4.391 0.995 1.00 0.00 O ATOM 258 CB LYS C 17 55.932 1.649 0.985 1.00 0.00 C ATOM 259 CG LYS C 17 56.231 0.204 0.575 1.00 0.00 C ATOM 260 CD LYS C 17 54.930 -0.501 0.180 1.00 0.00 C ATOM 261 CE LYS C 17 54.736 -1.734 1.069 1.00 0.00 C ATOM 262 NZ LYS C 17 53.369 -2.240 0.761 1.00 0.00 N1+ ATOM 0 H LYS C 17 56.095 1.139 3.324 1.00 0.00 H new ATOM 0 HA LYS C 17 58.067 1.915 1.328 1.00 0.00 H new ATOM 0 HB2 LYS C 17 55.025 1.688 1.588 1.00 0.00 H new ATOM 0 HB3 LYS C 17 55.754 2.261 0.101 1.00 0.00 H new ATOM 0 HG2 LYS C 17 56.931 0.190 -0.260 1.00 0.00 H new ATOM 0 HG3 LYS C 17 56.708 -0.327 1.399 1.00 0.00 H new ATOM 0 HD2 LYS C 17 54.085 0.179 0.291 1.00 0.00 H new ATOM 0 HD3 LYS C 17 54.966 -0.796 -0.869 1.00 0.00 H new ATOM 0 HE2 LYS C 17 55.491 -2.492 0.858 1.00 0.00 H new ATOM 0 HE3 LYS C 17 54.830 -1.475 2.124 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 53.067 -2.899 1.507 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 52.705 -1.441 0.715 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 53.380 -2.734 -0.154 1.00 0.00 H new ATOM 276 N ASN C 18 56.388 4.331 2.758 1.00 0.00 N ATOM 277 CA ASN C 18 56.339 5.826 2.834 1.00 0.00 C ATOM 278 C ASN C 18 57.647 6.370 3.441 1.00 0.00 C ATOM 279 O ASN C 18 58.175 7.371 2.989 1.00 0.00 O ATOM 280 CB ASN C 18 55.113 6.157 3.715 1.00 0.00 C ATOM 281 CG ASN C 18 55.520 6.985 4.944 1.00 0.00 C ATOM 282 OD1 ASN C 18 55.586 8.195 4.878 1.00 0.00 O ATOM 283 ND2 ASN C 18 55.801 6.387 6.065 1.00 0.00 N ATOM 0 H ASN C 18 55.849 3.842 3.473 1.00 0.00 H new ATOM 0 HA ASN C 18 56.244 6.290 1.852 1.00 0.00 H new ATOM 0 HB2 ASN C 18 54.378 6.709 3.128 1.00 0.00 H new ATOM 0 HB3 ASN C 18 54.634 5.233 4.038 1.00 0.00 H new ATOM 0 HD21 ASN C 18 56.075 6.935 6.881 1.00 0.00 H new ATOM 0 HD22 ASN C 18 55.748 5.370 6.128 1.00 0.00 H new ATOM 290 N GLU C 19 58.177 5.722 4.454 1.00 0.00 N ATOM 291 CA GLU C 19 59.451 6.216 5.073 1.00 0.00 C ATOM 292 C GLU C 19 60.633 6.017 4.110 1.00 0.00 C ATOM 293 O GLU C 19 61.587 6.771 4.134 1.00 0.00 O ATOM 294 CB GLU C 19 59.634 5.406 6.366 1.00 0.00 C ATOM 295 CG GLU C 19 59.879 3.928 6.045 1.00 0.00 C ATOM 296 CD GLU C 19 60.471 3.229 7.268 1.00 0.00 C ATOM 297 OE1 GLU C 19 59.701 2.759 8.087 1.00 0.00 O ATOM 298 OE2 GLU C 19 61.684 3.173 7.362 1.00 0.00 O1- ATOM 0 H GLU C 19 57.786 4.879 4.876 1.00 0.00 H new ATOM 0 HA GLU C 19 59.409 7.284 5.287 1.00 0.00 H new ATOM 0 HB2 GLU C 19 60.474 5.804 6.935 1.00 0.00 H new ATOM 0 HB3 GLU C 19 58.748 5.506 6.993 1.00 0.00 H new ATOM 0 HG2 GLU C 19 58.944 3.448 5.757 1.00 0.00 H new ATOM 0 HG3 GLU C 19 60.558 3.837 5.197 1.00 0.00 H new ATOM 305 N PHE C 20 60.575 5.019 3.257 1.00 0.00 N ATOM 306 CA PHE C 20 61.696 4.792 2.287 1.00 0.00 C ATOM 307 C PHE C 20 61.849 6.009 1.366 1.00 0.00 C ATOM 308 O PHE C 20 62.944 6.480 1.133 1.00 0.00 O ATOM 309 CB PHE C 20 61.291 3.552 1.477 1.00 0.00 C ATOM 310 CG PHE C 20 61.361 2.299 2.333 1.00 0.00 C ATOM 311 CD1 PHE C 20 62.063 2.296 3.551 1.00 0.00 C ATOM 312 CD2 PHE C 20 60.715 1.134 1.901 1.00 0.00 C ATOM 313 CE1 PHE C 20 62.116 1.133 4.327 1.00 0.00 C ATOM 314 CE2 PHE C 20 60.769 -0.028 2.678 1.00 0.00 C ATOM 315 CZ PHE C 20 61.469 -0.028 3.891 1.00 0.00 C ATOM 0 H PHE C 20 59.804 4.355 3.191 1.00 0.00 H new ATOM 0 HA PHE C 20 62.652 4.648 2.791 1.00 0.00 H new ATOM 0 HB2 PHE C 20 60.279 3.678 1.092 1.00 0.00 H new ATOM 0 HB3 PHE C 20 61.949 3.445 0.614 1.00 0.00 H new ATOM 0 HD1 PHE C 20 62.562 3.193 3.888 1.00 0.00 H new ATOM 0 HD2 PHE C 20 60.174 1.133 0.966 1.00 0.00 H new ATOM 0 HE1 PHE C 20 62.656 1.132 5.262 1.00 0.00 H new ATOM 0 HE2 PHE C 20 60.271 -0.925 2.342 1.00 0.00 H new ATOM 0 HZ PHE C 20 61.509 -0.925 4.490 1.00 0.00 H new ATOM 325 N LYS C 21 60.755 6.520 0.849 1.00 0.00 N ATOM 326 CA LYS C 21 60.825 7.714 -0.055 1.00 0.00 C ATOM 327 C LYS C 21 61.205 8.971 0.743 1.00 0.00 C ATOM 328 O LYS C 21 62.044 9.746 0.325 1.00 0.00 O ATOM 329 CB LYS C 21 59.414 7.855 -0.635 1.00 0.00 C ATOM 330 CG LYS C 21 59.454 8.761 -1.870 1.00 0.00 C ATOM 331 CD LYS C 21 59.001 10.173 -1.485 1.00 0.00 C ATOM 332 CE LYS C 21 59.216 11.124 -2.669 1.00 0.00 C ATOM 333 NZ LYS C 21 59.085 12.491 -2.092 1.00 0.00 N1+ ATOM 0 H LYS C 21 59.815 6.161 1.015 1.00 0.00 H new ATOM 0 HA LYS C 21 61.579 7.595 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS C 21 59.021 6.875 -0.903 1.00 0.00 H new ATOM 0 HB3 LYS C 21 58.742 8.274 0.114 1.00 0.00 H new ATOM 0 HG2 LYS C 21 60.464 8.791 -2.279 1.00 0.00 H new ATOM 0 HG3 LYS C 21 58.806 8.360 -2.649 1.00 0.00 H new ATOM 0 HD2 LYS C 21 57.949 10.163 -1.200 1.00 0.00 H new ATOM 0 HD3 LYS C 21 59.563 10.522 -0.619 1.00 0.00 H new ATOM 0 HE2 LYS C 21 60.198 10.978 -3.120 1.00 0.00 H new ATOM 0 HE3 LYS C 21 58.477 10.953 -3.452 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 58.242 12.955 -2.487 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 58.991 12.424 -1.058 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 59.930 13.050 -2.327 1.00 0.00 H new ATOM 347 N ALA C 22 60.588 9.174 1.887 1.00 0.00 N ATOM 348 CA ALA C 22 60.905 10.378 2.722 1.00 0.00 C ATOM 349 C ALA C 22 62.401 10.421 3.060 1.00 0.00 C ATOM 350 O ALA C 22 63.035 11.454 2.952 1.00 0.00 O ATOM 351 CB ALA C 22 60.071 10.216 3.996 1.00 0.00 C ATOM 0 H ALA C 22 59.877 8.555 2.278 1.00 0.00 H new ATOM 0 HA ALA C 22 60.674 11.307 2.200 1.00 0.00 H new ATOM 0 HB1 ALA C 22 60.251 11.063 4.659 1.00 0.00 H new ATOM 0 HB2 ALA C 22 59.013 10.177 3.736 1.00 0.00 H new ATOM 0 HB3 ALA C 22 60.355 9.293 4.502 1.00 0.00 H new ATOM 357 N ALA C 23 62.968 9.305 3.449 1.00 0.00 N ATOM 358 CA ALA C 23 64.426 9.276 3.773 1.00 0.00 C ATOM 359 C ALA C 23 65.242 9.487 2.492 1.00 0.00 C ATOM 360 O ALA C 23 66.154 10.286 2.457 1.00 0.00 O ATOM 361 CB ALA C 23 64.685 7.881 4.351 1.00 0.00 C ATOM 0 H ALA C 23 62.483 8.414 3.556 1.00 0.00 H new ATOM 0 HA ALA C 23 64.712 10.059 4.475 1.00 0.00 H new ATOM 0 HB1 ALA C 23 65.739 7.786 4.613 1.00 0.00 H new ATOM 0 HB2 ALA C 23 64.075 7.738 5.243 1.00 0.00 H new ATOM 0 HB3 ALA C 23 64.426 7.126 3.609 1.00 0.00 H new ATOM 367 N PHE C 24 64.904 8.775 1.439 1.00 0.00 N ATOM 368 CA PHE C 24 65.645 8.922 0.141 1.00 0.00 C ATOM 369 C PHE C 24 65.719 10.398 -0.275 1.00 0.00 C ATOM 370 O PHE C 24 66.765 10.889 -0.650 1.00 0.00 O ATOM 371 CB PHE C 24 64.821 8.128 -0.880 1.00 0.00 C ATOM 372 CG PHE C 24 65.734 7.302 -1.769 1.00 0.00 C ATOM 373 CD1 PHE C 24 66.358 6.148 -1.271 1.00 0.00 C ATOM 374 CD2 PHE C 24 65.942 7.685 -3.101 1.00 0.00 C ATOM 375 CE1 PHE C 24 67.188 5.385 -2.107 1.00 0.00 C ATOM 376 CE2 PHE C 24 66.769 6.919 -3.933 1.00 0.00 C ATOM 377 CZ PHE C 24 67.392 5.770 -3.436 1.00 0.00 C ATOM 0 H PHE C 24 64.143 8.096 1.423 1.00 0.00 H new ATOM 0 HA PHE C 24 66.671 8.561 0.217 1.00 0.00 H new ATOM 0 HB2 PHE C 24 64.119 7.475 -0.361 1.00 0.00 H new ATOM 0 HB3 PHE C 24 64.230 8.811 -1.490 1.00 0.00 H new ATOM 0 HD1 PHE C 24 66.200 5.847 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE C 24 65.464 8.573 -3.487 1.00 0.00 H new ATOM 0 HE1 PHE C 24 67.670 4.498 -1.723 1.00 0.00 H new ATOM 0 HE2 PHE C 24 66.926 7.216 -4.959 1.00 0.00 H new ATOM 0 HZ PHE C 24 68.030 5.180 -4.078 1.00 0.00 H new ATOM 387 N ASP C 25 64.611 11.100 -0.211 1.00 0.00 N ATOM 388 CA ASP C 25 64.593 12.547 -0.604 1.00 0.00 C ATOM 389 C ASP C 25 65.647 13.356 0.176 1.00 0.00 C ATOM 390 O ASP C 25 66.207 14.306 -0.339 1.00 0.00 O ATOM 391 CB ASP C 25 63.181 13.035 -0.252 1.00 0.00 C ATOM 392 CG ASP C 25 62.258 12.883 -1.465 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.181 11.790 -1.999 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.635 13.864 -1.835 1.00 0.00 O1- ATOM 0 H ASP C 25 63.712 10.730 0.099 1.00 0.00 H new ATOM 0 HA ASP C 25 64.830 12.676 -1.660 1.00 0.00 H new ATOM 0 HB2 ASP C 25 62.788 12.463 0.588 1.00 0.00 H new ATOM 0 HB3 ASP C 25 63.215 14.078 0.061 1.00 0.00 H new ATOM 399 N ILE C 26 65.917 12.992 1.410 1.00 0.00 N ATOM 400 CA ILE C 26 66.933 13.751 2.219 1.00 0.00 C ATOM 401 C ILE C 26 68.305 13.767 1.519 1.00 0.00 C ATOM 402 O ILE C 26 68.993 14.770 1.527 1.00 0.00 O ATOM 403 CB ILE C 26 67.020 13.015 3.562 1.00 0.00 C ATOM 404 CG1 ILE C 26 65.680 13.133 4.297 1.00 0.00 C ATOM 405 CG2 ILE C 26 68.124 13.644 4.422 1.00 0.00 C ATOM 406 CD1 ILE C 26 65.771 12.434 5.657 1.00 0.00 C ATOM 0 H ILE C 26 65.481 12.206 1.892 1.00 0.00 H new ATOM 0 HA ILE C 26 66.642 14.794 2.344 1.00 0.00 H new ATOM 0 HB ILE C 26 67.250 11.965 3.383 1.00 0.00 H new ATOM 0 HG12 ILE C 26 65.421 14.183 4.434 1.00 0.00 H new ATOM 0 HG13 ILE C 26 64.886 12.684 3.700 1.00 0.00 H new ATOM 0 HG21 ILE C 26 68.185 13.120 5.376 1.00 0.00 H new ATOM 0 HG22 ILE C 26 69.079 13.565 3.903 1.00 0.00 H new ATOM 0 HG23 ILE C 26 67.893 14.695 4.599 1.00 0.00 H new ATOM 0 HD11 ILE C 26 64.816 12.521 6.175 1.00 0.00 H new ATOM 0 HD12 ILE C 26 66.009 11.381 5.509 1.00 0.00 H new ATOM 0 HD13 ILE C 26 66.552 12.902 6.255 1.00 0.00 H new ATOM 418 N PHE C 27 68.704 12.678 0.906 1.00 0.00 N ATOM 419 CA PHE C 27 70.032 12.660 0.198 1.00 0.00 C ATOM 420 C PHE C 27 69.846 12.852 -1.317 1.00 0.00 C ATOM 421 O PHE C 27 70.779 13.201 -2.014 1.00 0.00 O ATOM 422 CB PHE C 27 70.718 11.299 0.486 1.00 0.00 C ATOM 423 CG PHE C 27 69.906 10.422 1.421 1.00 0.00 C ATOM 424 CD1 PHE C 27 69.873 10.705 2.791 1.00 0.00 C ATOM 425 CD2 PHE C 27 69.208 9.315 0.920 1.00 0.00 C ATOM 426 CE1 PHE C 27 69.139 9.889 3.659 1.00 0.00 C ATOM 427 CE2 PHE C 27 68.476 8.496 1.791 1.00 0.00 C ATOM 428 CZ PHE C 27 68.443 8.784 3.160 1.00 0.00 C ATOM 0 H PHE C 27 68.176 11.806 0.863 1.00 0.00 H new ATOM 0 HA PHE C 27 70.652 13.479 0.562 1.00 0.00 H new ATOM 0 HB2 PHE C 27 70.878 10.771 -0.454 1.00 0.00 H new ATOM 0 HB3 PHE C 27 71.701 11.477 0.923 1.00 0.00 H new ATOM 0 HD1 PHE C 27 70.415 11.555 3.179 1.00 0.00 H new ATOM 0 HD2 PHE C 27 69.234 9.093 -0.137 1.00 0.00 H new ATOM 0 HE1 PHE C 27 69.110 10.113 4.715 1.00 0.00 H new ATOM 0 HE2 PHE C 27 67.938 7.643 1.405 1.00 0.00 H new ATOM 0 HZ PHE C 27 67.880 8.153 3.831 1.00 0.00 H new ATOM 438 N VAL C 28 68.655 12.634 -1.831 1.00 0.00 N ATOM 439 CA VAL C 28 68.416 12.812 -3.306 1.00 0.00 C ATOM 440 C VAL C 28 68.526 14.293 -3.698 1.00 0.00 C ATOM 441 O VAL C 28 68.851 14.615 -4.824 1.00 0.00 O ATOM 442 CB VAL C 28 66.994 12.278 -3.554 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.403 12.892 -4.830 1.00 0.00 C ATOM 444 CG2 VAL C 28 67.044 10.757 -3.719 1.00 0.00 C ATOM 0 H VAL C 28 67.838 12.341 -1.295 1.00 0.00 H new ATOM 0 HA VAL C 28 69.154 12.281 -3.906 1.00 0.00 H new ATOM 0 HB VAL C 28 66.369 12.548 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL C 28 65.397 12.503 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.360 13.976 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL C 28 67.031 12.634 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL C 28 66.038 10.377 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL C 28 67.681 10.504 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL C 28 67.449 10.306 -2.813 1.00 0.00 H new ATOM 454 N GLN C 29 68.265 15.191 -2.780 1.00 0.00 N ATOM 455 CA GLN C 29 68.363 16.648 -3.098 1.00 0.00 C ATOM 456 C GLN C 29 69.760 16.990 -3.647 1.00 0.00 C ATOM 457 O GLN C 29 69.894 17.772 -4.569 1.00 0.00 O ATOM 458 CB GLN C 29 68.114 17.359 -1.764 1.00 0.00 C ATOM 459 CG GLN C 29 67.823 18.842 -2.014 1.00 0.00 C ATOM 460 CD GLN C 29 66.498 18.991 -2.766 1.00 0.00 C ATOM 461 OE1 GLN C 29 65.438 18.937 -2.172 1.00 0.00 O ATOM 462 NE2 GLN C 29 66.509 19.176 -4.056 1.00 0.00 N ATOM 0 H GLN C 29 67.988 14.976 -1.822 1.00 0.00 H new ATOM 0 HA GLN C 29 67.648 16.952 -3.863 1.00 0.00 H new ATOM 0 HB2 GLN C 29 67.274 16.896 -1.246 1.00 0.00 H new ATOM 0 HB3 GLN C 29 68.985 17.254 -1.117 1.00 0.00 H new ATOM 0 HG2 GLN C 29 67.776 19.378 -1.066 1.00 0.00 H new ATOM 0 HG3 GLN C 29 68.632 19.288 -2.592 1.00 0.00 H new ATOM 0 HE21 GLN C 29 67.396 19.222 -4.557 1.00 0.00 H new ATOM 0 HE22 GLN C 29 65.630 19.275 -4.565 1.00 0.00 H new ATOM 471 N GLY C 30 70.800 16.409 -3.091 1.00 0.00 N ATOM 472 CA GLY C 30 72.183 16.703 -3.583 1.00 0.00 C ATOM 473 C GLY C 30 72.697 15.544 -4.444 1.00 0.00 C ATOM 474 O GLY C 30 73.754 14.995 -4.195 1.00 0.00 O ATOM 0 H GLY C 30 70.749 15.745 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY C 30 72.181 17.625 -4.165 1.00 0.00 H new ATOM 0 HA3 GLY C 30 72.852 16.861 -2.737 1.00 0.00 H new ATOM 478 N ALA C 31 71.958 15.176 -5.458 1.00 0.00 N ATOM 479 CA ALA C 31 72.395 14.058 -6.346 1.00 0.00 C ATOM 480 C ALA C 31 72.137 14.400 -7.819 1.00 0.00 C ATOM 481 O ALA C 31 71.203 15.108 -8.150 1.00 0.00 O ATOM 482 CB ALA C 31 71.550 12.864 -5.902 1.00 0.00 C ATOM 0 H ALA C 31 71.067 15.604 -5.710 1.00 0.00 H new ATOM 0 HA ALA C 31 73.463 13.857 -6.267 1.00 0.00 H new ATOM 0 HB1 ALA C 31 71.806 11.993 -6.505 1.00 0.00 H new ATOM 0 HB2 ALA C 31 71.747 12.649 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA C 31 70.493 13.097 -6.033 1.00 0.00 H new ATOM 488 N GLU C 32 72.963 13.907 -8.703 1.00 0.00 N ATOM 489 CA GLU C 32 72.776 14.205 -10.156 1.00 0.00 C ATOM 490 C GLU C 32 71.544 13.469 -10.691 1.00 0.00 C ATOM 491 O GLU C 32 70.687 14.057 -11.326 1.00 0.00 O ATOM 492 CB GLU C 32 74.047 13.695 -10.846 1.00 0.00 C ATOM 493 CG GLU C 32 74.510 14.712 -11.895 1.00 0.00 C ATOM 494 CD GLU C 32 75.522 15.673 -11.268 1.00 0.00 C ATOM 495 OE1 GLU C 32 75.106 16.526 -10.503 1.00 0.00 O1- ATOM 496 OE2 GLU C 32 76.697 15.534 -11.561 1.00 0.00 O ATOM 0 H GLU C 32 73.760 13.310 -8.483 1.00 0.00 H new ATOM 0 HA GLU C 32 72.619 15.268 -10.337 1.00 0.00 H new ATOM 0 HB2 GLU C 32 74.834 13.535 -10.108 1.00 0.00 H new ATOM 0 HB3 GLU C 32 73.854 12.732 -11.319 1.00 0.00 H new ATOM 0 HG2 GLU C 32 74.961 14.196 -12.742 1.00 0.00 H new ATOM 0 HG3 GLU C 32 73.655 15.268 -12.279 1.00 0.00 H new ATOM 503 N ASP C 33 71.453 12.187 -10.438 1.00 0.00 N ATOM 504 CA ASP C 33 70.281 11.399 -10.929 1.00 0.00 C ATOM 505 C ASP C 33 69.349 11.009 -9.766 1.00 0.00 C ATOM 506 O ASP C 33 68.581 10.073 -9.872 1.00 0.00 O ATOM 507 CB ASP C 33 70.899 10.149 -11.567 1.00 0.00 C ATOM 508 CG ASP C 33 71.524 10.515 -12.914 1.00 0.00 C ATOM 509 OD1 ASP C 33 70.808 10.508 -13.901 1.00 0.00 O ATOM 510 OD2 ASP C 33 72.710 10.800 -12.934 1.00 0.00 O1- ATOM 0 H ASP C 33 72.142 11.651 -9.911 1.00 0.00 H new ATOM 0 HA ASP C 33 69.670 11.968 -11.630 1.00 0.00 H new ATOM 0 HB2 ASP C 33 71.656 9.728 -10.906 1.00 0.00 H new ATOM 0 HB3 ASP C 33 70.135 9.384 -11.705 1.00 0.00 H new ATOM 515 N GLY C 34 69.399 11.717 -8.658 1.00 0.00 N ATOM 516 CA GLY C 34 68.506 11.376 -7.503 1.00 0.00 C ATOM 517 C GLY C 34 68.858 9.990 -6.941 1.00 0.00 C ATOM 518 O GLY C 34 68.001 9.280 -6.451 1.00 0.00 O ATOM 0 H GLY C 34 70.018 12.513 -8.506 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.609 12.129 -6.721 1.00 0.00 H new ATOM 0 HA3 GLY C 34 67.465 11.391 -7.824 1.00 0.00 H new ATOM 522 N SER C 35 70.107 9.604 -7.001 1.00 0.00 N ATOM 523 CA SER C 35 70.516 8.269 -6.466 1.00 0.00 C ATOM 524 C SER C 35 71.652 8.444 -5.448 1.00 0.00 C ATOM 525 O SER C 35 72.420 9.386 -5.524 1.00 0.00 O ATOM 526 CB SER C 35 70.991 7.483 -7.693 1.00 0.00 C ATOM 527 OG SER C 35 69.992 6.542 -8.068 1.00 0.00 O ATOM 0 H SER C 35 70.865 10.158 -7.399 1.00 0.00 H new ATOM 0 HA SER C 35 69.706 7.754 -5.949 1.00 0.00 H new ATOM 0 HB2 SER C 35 71.193 8.165 -8.519 1.00 0.00 H new ATOM 0 HB3 SER C 35 71.925 6.968 -7.469 1.00 0.00 H new ATOM 0 HG SER C 35 69.853 5.904 -7.337 1.00 0.00 H new ATOM 533 N ILE C 36 71.759 7.554 -4.492 1.00 0.00 N ATOM 534 CA ILE C 36 72.842 7.682 -3.461 1.00 0.00 C ATOM 535 C ILE C 36 74.041 6.799 -3.827 1.00 0.00 C ATOM 536 O ILE C 36 73.884 5.718 -4.365 1.00 0.00 O ATOM 537 CB ILE C 36 72.224 7.203 -2.138 1.00 0.00 C ATOM 538 CG1 ILE C 36 70.926 7.964 -1.854 1.00 0.00 C ATOM 539 CG2 ILE C 36 73.208 7.447 -0.991 1.00 0.00 C ATOM 540 CD1 ILE C 36 69.851 6.971 -1.410 1.00 0.00 C ATOM 0 H ILE C 36 71.147 6.746 -4.379 1.00 0.00 H new ATOM 0 HA ILE C 36 73.203 8.708 -3.393 1.00 0.00 H new ATOM 0 HB ILE C 36 72.007 6.138 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE C 36 71.091 8.712 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE C 36 70.600 8.497 -2.747 1.00 0.00 H new ATOM 0 HG21 ILE C 36 72.767 7.106 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE C 36 74.130 6.897 -1.179 1.00 0.00 H new ATOM 0 HG23 ILE C 36 73.429 8.512 -0.922 1.00 0.00 H new ATOM 0 HD11 ILE C 36 68.924 7.506 -1.206 1.00 0.00 H new ATOM 0 HD12 ILE C 36 69.682 6.240 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE C 36 70.180 6.458 -0.506 1.00 0.00 H new ATOM 552 N SER C 37 75.234 7.246 -3.522 1.00 0.00 N ATOM 553 CA SER C 37 76.448 6.426 -3.833 1.00 0.00 C ATOM 554 C SER C 37 76.748 5.475 -2.669 1.00 0.00 C ATOM 555 O SER C 37 76.221 5.626 -1.583 1.00 0.00 O ATOM 556 CB SER C 37 77.586 7.434 -4.006 1.00 0.00 C ATOM 557 OG SER C 37 78.749 6.754 -4.464 1.00 0.00 O ATOM 0 H SER C 37 75.421 8.142 -3.072 1.00 0.00 H new ATOM 0 HA SER C 37 76.313 5.814 -4.725 1.00 0.00 H new ATOM 0 HB2 SER C 37 77.298 8.207 -4.719 1.00 0.00 H new ATOM 0 HB3 SER C 37 77.792 7.934 -3.060 1.00 0.00 H new ATOM 0 HG SER C 37 79.480 7.397 -4.578 1.00 0.00 H new ATOM 563 N THR C 38 77.593 4.501 -2.885 1.00 0.00 N ATOM 564 CA THR C 38 77.932 3.537 -1.786 1.00 0.00 C ATOM 565 C THR C 38 78.531 4.285 -0.586 1.00 0.00 C ATOM 566 O THR C 38 78.248 3.967 0.552 1.00 0.00 O ATOM 567 CB THR C 38 78.958 2.564 -2.386 1.00 0.00 C ATOM 568 OG1 THR C 38 80.087 3.292 -2.855 1.00 0.00 O ATOM 569 CG2 THR C 38 78.328 1.792 -3.551 1.00 0.00 C ATOM 0 H THR C 38 78.065 4.328 -3.773 1.00 0.00 H new ATOM 0 HA THR C 38 77.049 3.011 -1.424 1.00 0.00 H new ATOM 0 HB THR C 38 79.272 1.858 -1.617 1.00 0.00 H new ATOM 0 HG1 THR C 38 80.742 2.670 -3.236 1.00 0.00 H new ATOM 0 HG21 THR C 38 79.062 1.104 -3.971 1.00 0.00 H new ATOM 0 HG22 THR C 38 77.467 1.229 -3.191 1.00 0.00 H new ATOM 0 HG23 THR C 38 78.006 2.494 -4.321 1.00 0.00 H new ATOM 577 N LYS C 39 79.342 5.285 -0.836 1.00 0.00 N ATOM 578 CA LYS C 39 79.950 6.069 0.289 1.00 0.00 C ATOM 579 C LYS C 39 78.852 6.771 1.113 1.00 0.00 C ATOM 580 O LYS C 39 78.996 6.974 2.303 1.00 0.00 O ATOM 581 CB LYS C 39 80.876 7.094 -0.383 1.00 0.00 C ATOM 582 CG LYS C 39 80.051 8.106 -1.182 1.00 0.00 C ATOM 583 CD LYS C 39 80.980 9.145 -1.822 1.00 0.00 C ATOM 584 CE LYS C 39 80.277 10.502 -1.849 1.00 0.00 C ATOM 585 NZ LYS C 39 80.117 10.829 -3.298 1.00 0.00 N1+ ATOM 0 H LYS C 39 79.610 5.593 -1.771 1.00 0.00 H new ATOM 0 HA LYS C 39 80.497 5.431 0.983 1.00 0.00 H new ATOM 0 HB2 LYS C 39 81.467 7.611 0.373 1.00 0.00 H new ATOM 0 HB3 LYS C 39 81.578 6.584 -1.043 1.00 0.00 H new ATOM 0 HG2 LYS C 39 79.478 7.593 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS C 39 79.333 8.601 -0.528 1.00 0.00 H new ATOM 0 HD2 LYS C 39 81.910 9.215 -1.257 1.00 0.00 H new ATOM 0 HD3 LYS C 39 81.244 8.839 -2.834 1.00 0.00 H new ATOM 0 HE2 LYS C 39 79.311 10.455 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS C 39 80.867 11.262 -1.336 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 79.641 11.749 -3.396 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 81.053 10.874 -3.749 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 79.545 10.093 -3.759 1.00 0.00 H new ATOM 599 N GLU C 40 77.755 7.133 0.490 1.00 0.00 N ATOM 600 CA GLU C 40 76.644 7.810 1.234 1.00 0.00 C ATOM 601 C GLU C 40 75.630 6.769 1.748 1.00 0.00 C ATOM 602 O GLU C 40 74.941 6.997 2.726 1.00 0.00 O ATOM 603 CB GLU C 40 75.977 8.735 0.206 1.00 0.00 C ATOM 604 CG GLU C 40 76.951 9.839 -0.235 1.00 0.00 C ATOM 605 CD GLU C 40 77.486 10.598 0.983 1.00 0.00 C ATOM 606 OE1 GLU C 40 76.679 11.098 1.750 1.00 0.00 O ATOM 607 OE2 GLU C 40 78.694 10.672 1.124 1.00 0.00 O1- ATOM 0 H GLU C 40 77.581 6.988 -0.505 1.00 0.00 H new ATOM 0 HA GLU C 40 77.010 8.357 2.103 1.00 0.00 H new ATOM 0 HB2 GLU C 40 75.658 8.156 -0.660 1.00 0.00 H new ATOM 0 HB3 GLU C 40 75.082 9.183 0.637 1.00 0.00 H new ATOM 0 HG2 GLU C 40 77.780 9.401 -0.791 1.00 0.00 H new ATOM 0 HG3 GLU C 40 76.446 10.531 -0.909 1.00 0.00 H new ATOM 614 N LEU C 41 75.532 5.635 1.084 1.00 0.00 N ATOM 615 CA LEU C 41 74.561 4.572 1.511 1.00 0.00 C ATOM 616 C LEU C 41 74.826 4.105 2.952 1.00 0.00 C ATOM 617 O LEU C 41 73.906 3.755 3.669 1.00 0.00 O ATOM 618 CB LEU C 41 74.776 3.413 0.531 1.00 0.00 C ATOM 619 CG LEU C 41 73.423 2.825 0.101 1.00 0.00 C ATOM 620 CD1 LEU C 41 72.587 2.477 1.336 1.00 0.00 C ATOM 621 CD2 LEU C 41 72.666 3.846 -0.757 1.00 0.00 C ATOM 0 H LEU C 41 76.087 5.401 0.261 1.00 0.00 H new ATOM 0 HA LEU C 41 73.538 4.947 1.497 1.00 0.00 H new ATOM 0 HB2 LEU C 41 75.323 3.764 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU C 41 75.385 2.639 0.999 1.00 0.00 H new ATOM 0 HG LEU C 41 73.598 1.919 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU C 41 71.630 2.061 1.022 1.00 0.00 H new ATOM 0 HD12 LEU C 41 73.120 1.744 1.942 1.00 0.00 H new ATOM 0 HD13 LEU C 41 72.415 3.378 1.925 1.00 0.00 H new ATOM 0 HD21 LEU C 41 71.707 3.426 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU C 41 72.498 4.754 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU C 41 73.254 4.084 -1.643 1.00 0.00 H new ATOM 633 N GLY C 42 76.067 4.098 3.385 1.00 0.00 N ATOM 634 CA GLY C 42 76.372 3.658 4.784 1.00 0.00 C ATOM 635 C GLY C 42 75.589 4.539 5.765 1.00 0.00 C ATOM 636 O GLY C 42 74.980 4.053 6.699 1.00 0.00 O ATOM 0 H GLY C 42 76.877 4.377 2.832 1.00 0.00 H new ATOM 0 HA2 GLY C 42 76.099 2.611 4.918 1.00 0.00 H new ATOM 0 HA3 GLY C 42 77.442 3.736 4.979 1.00 0.00 H new ATOM 640 N LYS C 43 75.588 5.831 5.537 1.00 0.00 N ATOM 641 CA LYS C 43 74.828 6.762 6.430 1.00 0.00 C ATOM 642 C LYS C 43 73.318 6.524 6.277 1.00 0.00 C ATOM 643 O LYS C 43 72.574 6.575 7.237 1.00 0.00 O ATOM 644 CB LYS C 43 75.194 8.167 5.951 1.00 0.00 C ATOM 645 CG LYS C 43 76.611 8.517 6.415 1.00 0.00 C ATOM 646 CD LYS C 43 76.772 10.038 6.463 1.00 0.00 C ATOM 647 CE LYS C 43 77.299 10.539 5.113 1.00 0.00 C ATOM 648 NZ LYS C 43 76.110 11.098 4.406 1.00 0.00 N1+ ATOM 0 H LYS C 43 76.083 6.282 4.768 1.00 0.00 H new ATOM 0 HA LYS C 43 75.074 6.614 7.482 1.00 0.00 H new ATOM 0 HB2 LYS C 43 75.134 8.218 4.864 1.00 0.00 H new ATOM 0 HB3 LYS C 43 74.482 8.893 6.344 1.00 0.00 H new ATOM 0 HG2 LYS C 43 76.798 8.090 7.400 1.00 0.00 H new ATOM 0 HG3 LYS C 43 77.345 8.084 5.735 1.00 0.00 H new ATOM 0 HD2 LYS C 43 75.815 10.509 6.689 1.00 0.00 H new ATOM 0 HD3 LYS C 43 77.461 10.317 7.260 1.00 0.00 H new ATOM 0 HE2 LYS C 43 78.068 11.299 5.249 1.00 0.00 H new ATOM 0 HE3 LYS C 43 77.750 9.728 4.542 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 76.384 11.397 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 75.370 10.370 4.343 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 75.746 11.917 4.933 1.00 0.00 H new ATOM 662 N VAL C 44 72.866 6.245 5.074 1.00 0.00 N ATOM 663 CA VAL C 44 71.409 5.977 4.853 1.00 0.00 C ATOM 664 C VAL C 44 70.978 4.791 5.721 1.00 0.00 C ATOM 665 O VAL C 44 69.911 4.787 6.308 1.00 0.00 O ATOM 666 CB VAL C 44 71.292 5.622 3.367 1.00 0.00 C ATOM 667 CG1 VAL C 44 69.920 5.002 3.087 1.00 0.00 C ATOM 668 CG2 VAL C 44 71.465 6.892 2.532 1.00 0.00 C ATOM 0 H VAL C 44 73.445 6.192 4.236 1.00 0.00 H new ATOM 0 HA VAL C 44 70.778 6.826 5.115 1.00 0.00 H new ATOM 0 HB VAL C 44 72.066 4.902 3.103 1.00 0.00 H new ATOM 0 HG11 VAL C 44 69.843 4.752 2.029 1.00 0.00 H new ATOM 0 HG12 VAL C 44 69.801 4.097 3.683 1.00 0.00 H new ATOM 0 HG13 VAL C 44 69.138 5.715 3.349 1.00 0.00 H new ATOM 0 HG21 VAL C 44 71.383 6.645 1.473 1.00 0.00 H new ATOM 0 HG22 VAL C 44 70.690 7.611 2.798 1.00 0.00 H new ATOM 0 HG23 VAL C 44 72.446 7.326 2.728 1.00 0.00 H new ATOM 678 N MET C 45 71.821 3.791 5.808 1.00 0.00 N ATOM 679 CA MET C 45 71.501 2.592 6.640 1.00 0.00 C ATOM 680 C MET C 45 71.485 2.976 8.130 1.00 0.00 C ATOM 681 O MET C 45 70.564 2.645 8.853 1.00 0.00 O ATOM 682 CB MET C 45 72.629 1.594 6.343 1.00 0.00 C ATOM 683 CG MET C 45 72.693 1.317 4.837 1.00 0.00 C ATOM 684 SD MET C 45 72.163 -0.381 4.517 1.00 0.00 S ATOM 685 CE MET C 45 70.390 -0.088 4.718 1.00 0.00 C ATOM 0 H MET C 45 72.724 3.755 5.334 1.00 0.00 H new ATOM 0 HA MET C 45 70.521 2.172 6.412 1.00 0.00 H new ATOM 0 HB2 MET C 45 73.582 1.994 6.689 1.00 0.00 H new ATOM 0 HB3 MET C 45 72.457 0.665 6.886 1.00 0.00 H new ATOM 0 HG2 MET C 45 72.053 2.017 4.300 1.00 0.00 H new ATOM 0 HG3 MET C 45 73.709 1.468 4.471 1.00 0.00 H new ATOM 0 HE1 MET C 45 69.984 -0.796 5.441 1.00 0.00 H new ATOM 0 HE2 MET C 45 70.227 0.929 5.075 1.00 0.00 H new ATOM 0 HE3 MET C 45 69.888 -0.220 3.759 1.00 0.00 H new ATOM 695 N ARG C 46 72.495 3.689 8.583 1.00 0.00 N ATOM 696 CA ARG C 46 72.554 4.123 10.024 1.00 0.00 C ATOM 697 C ARG C 46 71.328 4.970 10.397 1.00 0.00 C ATOM 698 O ARG C 46 70.940 5.032 11.550 1.00 0.00 O ATOM 699 CB ARG C 46 73.834 4.962 10.128 1.00 0.00 C ATOM 700 CG ARG C 46 74.840 4.240 11.028 1.00 0.00 C ATOM 701 CD ARG C 46 74.790 4.824 12.445 1.00 0.00 C ATOM 702 NE ARG C 46 73.509 4.329 13.032 1.00 0.00 N ATOM 703 CZ ARG C 46 73.514 3.290 13.820 1.00 0.00 C ATOM 704 NH1 ARG C 46 73.707 3.442 15.099 1.00 0.00 N1+ ATOM 705 NH2 ARG C 46 73.307 2.107 13.325 1.00 0.00 N ATOM 0 H ARG C 46 73.286 3.991 8.014 1.00 0.00 H new ATOM 0 HA ARG C 46 72.557 3.271 10.704 1.00 0.00 H new ATOM 0 HB2 ARG C 46 74.261 5.119 9.138 1.00 0.00 H new ATOM 0 HB3 ARG C 46 73.605 5.947 10.536 1.00 0.00 H new ATOM 0 HG2 ARG C 46 74.615 3.174 11.057 1.00 0.00 H new ATOM 0 HG3 ARG C 46 75.845 4.342 10.619 1.00 0.00 H new ATOM 0 HD2 ARG C 46 75.646 4.496 13.036 1.00 0.00 H new ATOM 0 HD3 ARG C 46 74.817 5.913 12.422 1.00 0.00 H new ATOM 0 HE ARG C 46 72.632 4.803 12.817 1.00 0.00 H new ATOM 0 HH11 ARG C 46 73.854 4.374 15.485 1.00 0.00 H new ATOM 0 HH12 ARG C 46 73.711 2.629 15.714 1.00 0.00 H new ATOM 0 HH21 ARG C 46 73.142 1.994 12.325 1.00 0.00 H new ATOM 0 HH22 ARG C 46 73.310 1.291 13.937 1.00 0.00 H new ATOM 719 N MET C 47 70.723 5.622 9.437 1.00 0.00 N ATOM 720 CA MET C 47 69.525 6.463 9.733 1.00 0.00 C ATOM 721 C MET C 47 68.264 5.596 9.888 1.00 0.00 C ATOM 722 O MET C 47 67.343 5.961 10.598 1.00 0.00 O ATOM 723 CB MET C 47 69.384 7.397 8.530 1.00 0.00 C ATOM 724 CG MET C 47 68.486 8.578 8.904 1.00 0.00 C ATOM 725 SD MET C 47 68.437 9.755 7.532 1.00 0.00 S ATOM 726 CE MET C 47 66.978 9.092 6.689 1.00 0.00 C ATOM 0 H MET C 47 71.009 5.608 8.458 1.00 0.00 H new ATOM 0 HA MET C 47 69.641 7.010 10.669 1.00 0.00 H new ATOM 0 HB2 MET C 47 70.365 7.756 8.218 1.00 0.00 H new ATOM 0 HB3 MET C 47 68.959 6.857 7.684 1.00 0.00 H new ATOM 0 HG2 MET C 47 67.480 8.226 9.131 1.00 0.00 H new ATOM 0 HG3 MET C 47 68.864 9.066 9.803 1.00 0.00 H new ATOM 0 HE1 MET C 47 67.044 9.309 5.623 1.00 0.00 H new ATOM 0 HE2 MET C 47 66.931 8.013 6.837 1.00 0.00 H new ATOM 0 HE3 MET C 47 66.080 9.554 7.099 1.00 0.00 H new ATOM 736 N LEU C 48 68.206 4.458 9.234 1.00 0.00 N ATOM 737 CA LEU C 48 66.989 3.593 9.363 1.00 0.00 C ATOM 738 C LEU C 48 67.175 2.565 10.493 1.00 0.00 C ATOM 739 O LEU C 48 66.281 2.349 11.286 1.00 0.00 O ATOM 740 CB LEU C 48 66.830 2.890 8.006 1.00 0.00 C ATOM 741 CG LEU C 48 65.769 3.615 7.166 1.00 0.00 C ATOM 742 CD1 LEU C 48 66.414 4.787 6.423 1.00 0.00 C ATOM 743 CD2 LEU C 48 65.165 2.644 6.148 1.00 0.00 C ATOM 0 H LEU C 48 68.939 4.095 8.624 1.00 0.00 H new ATOM 0 HA LEU C 48 66.104 4.178 9.614 1.00 0.00 H new ATOM 0 HB2 LEU C 48 67.783 2.882 7.477 1.00 0.00 H new ATOM 0 HB3 LEU C 48 66.540 1.850 8.157 1.00 0.00 H new ATOM 0 HG LEU C 48 64.985 3.987 7.825 1.00 0.00 H new ATOM 0 HD11 LEU C 48 65.659 5.300 5.827 1.00 0.00 H new ATOM 0 HD12 LEU C 48 66.842 5.483 7.144 1.00 0.00 H new ATOM 0 HD13 LEU C 48 67.201 4.414 5.768 1.00 0.00 H new ATOM 0 HD21 LEU C 48 64.412 3.162 5.553 1.00 0.00 H new ATOM 0 HD22 LEU C 48 65.951 2.269 5.492 1.00 0.00 H new ATOM 0 HD23 LEU C 48 64.701 1.809 6.673 1.00 0.00 H new ATOM 755 N GLY C 49 68.329 1.939 10.583 1.00 0.00 N ATOM 756 CA GLY C 49 68.552 0.939 11.679 1.00 0.00 C ATOM 757 C GLY C 49 69.629 -0.084 11.288 1.00 0.00 C ATOM 758 O GLY C 49 69.495 -1.260 11.559 1.00 0.00 O ATOM 0 H GLY C 49 69.118 2.076 9.951 1.00 0.00 H new ATOM 0 HA2 GLY C 49 68.852 1.456 12.591 1.00 0.00 H new ATOM 0 HA3 GLY C 49 67.618 0.422 11.898 1.00 0.00 H new ATOM 762 N GLN C 50 70.700 0.350 10.668 1.00 0.00 N ATOM 763 CA GLN C 50 71.791 -0.607 10.278 1.00 0.00 C ATOM 764 C GLN C 50 73.161 0.086 10.381 1.00 0.00 C ATOM 765 O GLN C 50 73.241 1.270 10.636 1.00 0.00 O ATOM 766 CB GLN C 50 71.526 -1.041 8.815 1.00 0.00 C ATOM 767 CG GLN C 50 70.259 -0.384 8.227 1.00 0.00 C ATOM 768 CD GLN C 50 69.032 -1.277 8.453 1.00 0.00 C ATOM 769 OE1 GLN C 50 68.027 -0.824 8.960 1.00 0.00 O ATOM 770 NE2 GLN C 50 69.064 -2.529 8.092 1.00 0.00 N ATOM 0 H GLN C 50 70.868 1.323 10.414 1.00 0.00 H new ATOM 0 HA GLN C 50 71.798 -1.472 10.941 1.00 0.00 H new ATOM 0 HB2 GLN C 50 72.387 -0.779 8.200 1.00 0.00 H new ATOM 0 HB3 GLN C 50 71.422 -2.125 8.774 1.00 0.00 H new ATOM 0 HG2 GLN C 50 70.098 0.589 8.692 1.00 0.00 H new ATOM 0 HG3 GLN C 50 70.396 -0.208 7.160 1.00 0.00 H new ATOM 0 HE21 GLN C 50 69.906 -2.915 7.665 1.00 0.00 H new ATOM 0 HE22 GLN C 50 68.247 -3.122 8.236 1.00 0.00 H new ATOM 779 N ASN C 51 74.240 -0.637 10.188 1.00 0.00 N ATOM 780 CA ASN C 51 75.594 0.004 10.281 1.00 0.00 C ATOM 781 C ASN C 51 76.622 -0.715 9.389 1.00 0.00 C ATOM 782 O ASN C 51 77.628 -1.202 9.874 1.00 0.00 O ATOM 783 CB ASN C 51 75.984 -0.111 11.762 1.00 0.00 C ATOM 784 CG ASN C 51 76.822 1.104 12.166 1.00 0.00 C ATOM 785 OD1 ASN C 51 76.326 2.012 12.799 1.00 0.00 O ATOM 786 ND2 ASN C 51 78.079 1.164 11.819 1.00 0.00 N ATOM 0 H ASN C 51 74.244 -1.634 9.972 1.00 0.00 H new ATOM 0 HA ASN C 51 75.573 1.038 9.937 1.00 0.00 H new ATOM 0 HB2 ASN C 51 75.089 -0.171 12.381 1.00 0.00 H new ATOM 0 HB3 ASN C 51 76.549 -1.028 11.930 1.00 0.00 H new ATOM 0 HD21 ASN C 51 78.642 1.973 12.080 1.00 0.00 H new ATOM 0 HD22 ASN C 51 78.498 0.401 11.287 1.00 0.00 H new ATOM 793 N PRO C 52 76.348 -0.753 8.104 1.00 0.00 N ATOM 794 CA PRO C 52 77.282 -1.411 7.159 1.00 0.00 C ATOM 795 C PRO C 52 78.458 -0.480 6.823 1.00 0.00 C ATOM 796 O PRO C 52 78.275 0.698 6.585 1.00 0.00 O ATOM 797 CB PRO C 52 76.423 -1.663 5.926 1.00 0.00 C ATOM 798 CG PRO C 52 75.329 -0.639 5.980 1.00 0.00 C ATOM 799 CD PRO C 52 75.170 -0.199 7.417 1.00 0.00 C ATOM 0 HA PRO C 52 77.724 -2.322 7.562 1.00 0.00 H new ATOM 0 HB2 PRO C 52 77.009 -1.562 5.013 1.00 0.00 H new ATOM 0 HB3 PRO C 52 76.015 -2.674 5.933 1.00 0.00 H new ATOM 0 HG2 PRO C 52 75.573 0.213 5.346 1.00 0.00 H new ATOM 0 HG3 PRO C 52 74.396 -1.059 5.605 1.00 0.00 H new ATOM 0 HD2 PRO C 52 75.138 0.887 7.498 1.00 0.00 H new ATOM 0 HD3 PRO C 52 74.244 -0.579 7.848 1.00 0.00 H new ATOM 807 N THR C 53 79.660 -1.001 6.796 1.00 0.00 N ATOM 808 CA THR C 53 80.840 -0.143 6.467 1.00 0.00 C ATOM 809 C THR C 53 80.819 0.217 4.977 1.00 0.00 C ATOM 810 O THR C 53 80.408 -0.576 4.157 1.00 0.00 O ATOM 811 CB THR C 53 82.078 -0.976 6.821 1.00 0.00 C ATOM 812 OG1 THR C 53 81.812 -2.356 6.603 1.00 0.00 O ATOM 813 CG2 THR C 53 82.433 -0.754 8.290 1.00 0.00 C ATOM 0 H THR C 53 79.875 -1.980 6.987 1.00 0.00 H new ATOM 0 HA THR C 53 80.835 0.795 7.021 1.00 0.00 H new ATOM 0 HB THR C 53 82.911 -0.668 6.189 1.00 0.00 H new ATOM 0 HG1 THR C 53 82.644 -2.867 6.690 1.00 0.00 H new ATOM 0 HG21 THR C 53 83.313 -1.345 8.545 1.00 0.00 H new ATOM 0 HG22 THR C 53 82.644 0.302 8.458 1.00 0.00 H new ATOM 0 HG23 THR C 53 81.596 -1.061 8.917 1.00 0.00 H new ATOM 821 N PRO C 54 81.249 1.416 4.679 1.00 0.00 N ATOM 822 CA PRO C 54 81.247 1.906 3.273 1.00 0.00 C ATOM 823 C PRO C 54 82.220 1.116 2.383 1.00 0.00 C ATOM 824 O PRO C 54 81.948 0.900 1.219 1.00 0.00 O ATOM 825 CB PRO C 54 81.669 3.367 3.402 1.00 0.00 C ATOM 826 CG PRO C 54 82.419 3.435 4.692 1.00 0.00 C ATOM 827 CD PRO C 54 81.783 2.422 5.606 1.00 0.00 C ATOM 0 HA PRO C 54 80.276 1.784 2.793 1.00 0.00 H new ATOM 0 HB2 PRO C 54 82.295 3.673 2.564 1.00 0.00 H new ATOM 0 HB3 PRO C 54 80.803 4.029 3.412 1.00 0.00 H new ATOM 0 HG2 PRO C 54 83.475 3.212 4.540 1.00 0.00 H new ATOM 0 HG3 PRO C 54 82.363 4.435 5.122 1.00 0.00 H new ATOM 0 HD2 PRO C 54 82.509 1.989 6.294 1.00 0.00 H new ATOM 0 HD3 PRO C 54 80.995 2.867 6.213 1.00 0.00 H new ATOM 835 N GLU C 55 83.340 0.682 2.906 1.00 0.00 N ATOM 836 CA GLU C 55 84.300 -0.091 2.057 1.00 0.00 C ATOM 837 C GLU C 55 83.751 -1.503 1.774 1.00 0.00 C ATOM 838 O GLU C 55 83.993 -2.066 0.724 1.00 0.00 O ATOM 839 CB GLU C 55 85.622 -0.116 2.848 1.00 0.00 C ATOM 840 CG GLU C 55 85.756 -1.403 3.681 1.00 0.00 C ATOM 841 CD GLU C 55 85.053 -1.242 5.034 1.00 0.00 C ATOM 842 OE1 GLU C 55 85.046 -0.139 5.557 1.00 0.00 O1- ATOM 843 OE2 GLU C 55 84.541 -2.228 5.529 1.00 0.00 O ATOM 0 H GLU C 55 83.630 0.827 3.873 1.00 0.00 H new ATOM 0 HA GLU C 55 84.452 0.363 1.078 1.00 0.00 H new ATOM 0 HB2 GLU C 55 86.462 -0.039 2.158 1.00 0.00 H new ATOM 0 HB3 GLU C 55 85.670 0.751 3.506 1.00 0.00 H new ATOM 0 HG2 GLU C 55 85.323 -2.242 3.137 1.00 0.00 H new ATOM 0 HG3 GLU C 55 86.810 -1.634 3.837 1.00 0.00 H new ATOM 850 N GLU C 56 82.996 -2.067 2.690 1.00 0.00 N ATOM 851 CA GLU C 56 82.415 -3.431 2.462 1.00 0.00 C ATOM 852 C GLU C 56 81.047 -3.313 1.780 1.00 0.00 C ATOM 853 O GLU C 56 80.683 -4.129 0.954 1.00 0.00 O ATOM 854 CB GLU C 56 82.255 -4.048 3.853 1.00 0.00 C ATOM 855 CG GLU C 56 83.510 -4.849 4.219 1.00 0.00 C ATOM 856 CD GLU C 56 83.485 -6.209 3.516 1.00 0.00 C ATOM 857 OE1 GLU C 56 82.876 -7.121 4.051 1.00 0.00 O1- ATOM 858 OE2 GLU C 56 84.077 -6.316 2.455 1.00 0.00 O ATOM 0 H GLU C 56 82.757 -1.641 3.586 1.00 0.00 H new ATOM 0 HA GLU C 56 83.051 -4.039 1.819 1.00 0.00 H new ATOM 0 HB2 GLU C 56 82.086 -3.263 4.591 1.00 0.00 H new ATOM 0 HB3 GLU C 56 81.380 -4.698 3.873 1.00 0.00 H new ATOM 0 HG2 GLU C 56 84.403 -4.296 3.927 1.00 0.00 H new ATOM 0 HG3 GLU C 56 83.560 -4.989 5.299 1.00 0.00 H new ATOM 865 N LEU C 57 80.289 -2.298 2.124 1.00 0.00 N ATOM 866 CA LEU C 57 78.939 -2.105 1.507 1.00 0.00 C ATOM 867 C LEU C 57 79.054 -1.922 -0.011 1.00 0.00 C ATOM 868 O LEU C 57 78.130 -2.223 -0.741 1.00 0.00 O ATOM 869 CB LEU C 57 78.382 -0.839 2.161 1.00 0.00 C ATOM 870 CG LEU C 57 76.957 -0.582 1.677 1.00 0.00 C ATOM 871 CD1 LEU C 57 76.017 -1.637 2.263 1.00 0.00 C ATOM 872 CD2 LEU C 57 76.523 0.807 2.140 1.00 0.00 C ATOM 0 H LEU C 57 80.551 -1.591 2.811 1.00 0.00 H new ATOM 0 HA LEU C 57 78.292 -2.968 1.666 1.00 0.00 H new ATOM 0 HB2 LEU C 57 78.392 -0.946 3.246 1.00 0.00 H new ATOM 0 HB3 LEU C 57 79.016 0.014 1.919 1.00 0.00 H new ATOM 0 HG LEU C 57 76.919 -0.638 0.589 1.00 0.00 H new ATOM 0 HD11 LEU C 57 75.000 -1.451 1.916 1.00 0.00 H new ATOM 0 HD12 LEU C 57 76.336 -2.628 1.940 1.00 0.00 H new ATOM 0 HD13 LEU C 57 76.044 -1.584 3.351 1.00 0.00 H new ATOM 0 HD21 LEU C 57 75.506 1.003 1.800 1.00 0.00 H new ATOM 0 HD22 LEU C 57 76.557 0.855 3.228 1.00 0.00 H new ATOM 0 HD23 LEU C 57 77.195 1.556 1.722 1.00 0.00 H new ATOM 884 N GLN C 58 80.179 -1.440 -0.494 1.00 0.00 N ATOM 885 CA GLN C 58 80.351 -1.254 -1.972 1.00 0.00 C ATOM 886 C GLN C 58 79.968 -2.550 -2.705 1.00 0.00 C ATOM 887 O GLN C 58 79.187 -2.535 -3.636 1.00 0.00 O ATOM 888 CB GLN C 58 81.837 -0.930 -2.173 1.00 0.00 C ATOM 889 CG GLN C 58 82.066 -0.391 -3.593 1.00 0.00 C ATOM 890 CD GLN C 58 82.601 -1.511 -4.495 1.00 0.00 C ATOM 891 OE1 GLN C 58 83.755 -1.875 -4.409 1.00 0.00 O ATOM 892 NE2 GLN C 58 81.811 -2.073 -5.366 1.00 0.00 N ATOM 0 H GLN C 58 80.983 -1.168 0.072 1.00 0.00 H new ATOM 0 HA GLN C 58 79.717 -0.461 -2.368 1.00 0.00 H new ATOM 0 HB2 GLN C 58 82.160 -0.193 -1.438 1.00 0.00 H new ATOM 0 HB3 GLN C 58 82.438 -1.825 -2.013 1.00 0.00 H new ATOM 0 HG2 GLN C 58 81.133 -0.000 -3.998 1.00 0.00 H new ATOM 0 HG3 GLN C 58 82.774 0.437 -3.568 1.00 0.00 H new ATOM 0 HE21 GLN C 58 80.840 -1.771 -5.443 1.00 0.00 H new ATOM 0 HE22 GLN C 58 82.164 -2.815 -5.971 1.00 0.00 H new ATOM 901 N GLU C 59 80.493 -3.674 -2.271 1.00 0.00 N ATOM 902 CA GLU C 59 80.139 -4.978 -2.923 1.00 0.00 C ATOM 903 C GLU C 59 78.648 -5.278 -2.709 1.00 0.00 C ATOM 904 O GLU C 59 77.952 -5.698 -3.615 1.00 0.00 O ATOM 905 CB GLU C 59 81.017 -6.025 -2.219 1.00 0.00 C ATOM 906 CG GLU C 59 80.456 -7.437 -2.445 1.00 0.00 C ATOM 907 CD GLU C 59 79.989 -8.029 -1.111 1.00 0.00 C ATOM 908 OE1 GLU C 59 80.830 -8.508 -0.368 1.00 0.00 O1- ATOM 909 OE2 GLU C 59 78.797 -7.996 -0.857 1.00 0.00 O ATOM 0 H GLU C 59 81.151 -3.744 -1.494 1.00 0.00 H new ATOM 0 HA GLU C 59 80.310 -4.970 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU C 59 82.037 -5.967 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU C 59 81.062 -5.812 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU C 59 79.624 -7.400 -3.148 1.00 0.00 H new ATOM 0 HG3 GLU C 59 81.220 -8.075 -2.889 1.00 0.00 H new ATOM 916 N MET C 60 78.160 -5.053 -1.512 1.00 0.00 N ATOM 917 CA MET C 60 76.713 -5.307 -1.211 1.00 0.00 C ATOM 918 C MET C 60 75.816 -4.479 -2.141 1.00 0.00 C ATOM 919 O MET C 60 74.900 -4.996 -2.753 1.00 0.00 O ATOM 920 CB MET C 60 76.532 -4.867 0.245 1.00 0.00 C ATOM 921 CG MET C 60 76.470 -6.103 1.145 1.00 0.00 C ATOM 922 SD MET C 60 75.471 -5.738 2.607 1.00 0.00 S ATOM 923 CE MET C 60 73.906 -5.420 1.755 1.00 0.00 C ATOM 0 H MET C 60 78.705 -4.702 -0.725 1.00 0.00 H new ATOM 0 HA MET C 60 76.438 -6.351 -1.362 1.00 0.00 H new ATOM 0 HB2 MET C 60 77.359 -4.224 0.548 1.00 0.00 H new ATOM 0 HB3 MET C 60 75.618 -4.282 0.349 1.00 0.00 H new ATOM 0 HG2 MET C 60 76.040 -6.942 0.598 1.00 0.00 H new ATOM 0 HG3 MET C 60 77.476 -6.399 1.444 1.00 0.00 H new ATOM 0 HE1 MET C 60 73.076 -5.626 2.431 1.00 0.00 H new ATOM 0 HE2 MET C 60 73.868 -4.377 1.441 1.00 0.00 H new ATOM 0 HE3 MET C 60 73.830 -6.066 0.880 1.00 0.00 H new ATOM 933 N ILE C 61 76.079 -3.198 -2.253 1.00 0.00 N ATOM 934 CA ILE C 61 75.252 -2.331 -3.146 1.00 0.00 C ATOM 935 C ILE C 61 75.430 -2.763 -4.608 1.00 0.00 C ATOM 936 O ILE C 61 74.465 -2.892 -5.338 1.00 0.00 O ATOM 937 CB ILE C 61 75.769 -0.903 -2.909 1.00 0.00 C ATOM 938 CG1 ILE C 61 75.086 -0.327 -1.661 1.00 0.00 C ATOM 939 CG2 ILE C 61 75.451 -0.020 -4.123 1.00 0.00 C ATOM 940 CD1 ILE C 61 75.751 0.990 -1.262 1.00 0.00 C ATOM 0 H ILE C 61 76.833 -2.717 -1.763 1.00 0.00 H new ATOM 0 HA ILE C 61 74.185 -2.402 -2.933 1.00 0.00 H new ATOM 0 HB ILE C 61 76.849 -0.927 -2.765 1.00 0.00 H new ATOM 0 HG12 ILE C 61 74.027 -0.164 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE C 61 75.151 -1.040 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE C 61 75.821 0.990 -3.945 1.00 0.00 H new ATOM 0 HG22 ILE C 61 75.933 -0.433 -5.009 1.00 0.00 H new ATOM 0 HG23 ILE C 61 74.372 0.011 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE C 61 75.260 1.392 -0.376 1.00 0.00 H new ATOM 0 HD12 ILE C 61 76.805 0.814 -1.045 1.00 0.00 H new ATOM 0 HD13 ILE C 61 75.663 1.705 -2.080 1.00 0.00 H new ATOM 952 N ASP C 62 76.648 -3.000 -5.036 1.00 0.00 N ATOM 953 CA ASP C 62 76.876 -3.437 -6.453 1.00 0.00 C ATOM 954 C ASP C 62 76.137 -4.754 -6.739 1.00 0.00 C ATOM 955 O ASP C 62 75.644 -4.965 -7.831 1.00 0.00 O ATOM 956 CB ASP C 62 78.389 -3.625 -6.581 1.00 0.00 C ATOM 957 CG ASP C 62 79.010 -2.348 -7.144 1.00 0.00 C ATOM 958 OD1 ASP C 62 79.002 -1.350 -6.445 1.00 0.00 O1- ATOM 959 OD2 ASP C 62 79.477 -2.388 -8.270 1.00 0.00 O ATOM 0 H ASP C 62 77.491 -2.911 -4.469 1.00 0.00 H new ATOM 0 HA ASP C 62 76.498 -2.707 -7.169 1.00 0.00 H new ATOM 0 HB2 ASP C 62 78.822 -3.855 -5.608 1.00 0.00 H new ATOM 0 HB3 ASP C 62 78.608 -4.469 -7.235 1.00 0.00 H new ATOM 964 N GLU C 63 76.040 -5.631 -5.765 1.00 0.00 N ATOM 965 CA GLU C 63 75.310 -6.925 -5.980 1.00 0.00 C ATOM 966 C GLU C 63 73.848 -6.635 -6.345 1.00 0.00 C ATOM 967 O GLU C 63 73.284 -7.252 -7.226 1.00 0.00 O ATOM 968 CB GLU C 63 75.396 -7.667 -4.639 1.00 0.00 C ATOM 969 CG GLU C 63 75.884 -9.102 -4.865 1.00 0.00 C ATOM 970 CD GLU C 63 77.369 -9.082 -5.227 1.00 0.00 C ATOM 971 OE1 GLU C 63 78.178 -9.014 -4.320 1.00 0.00 O1- ATOM 972 OE2 GLU C 63 77.671 -9.131 -6.407 1.00 0.00 O ATOM 0 H GLU C 63 76.434 -5.507 -4.832 1.00 0.00 H new ATOM 0 HA GLU C 63 75.737 -7.516 -6.791 1.00 0.00 H new ATOM 0 HB2 GLU C 63 76.077 -7.144 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU C 63 74.419 -7.678 -4.157 1.00 0.00 H new ATOM 0 HG2 GLU C 63 75.726 -9.698 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU C 63 75.310 -9.572 -5.664 1.00 0.00 H new ATOM 979 N VAL C 64 73.243 -5.680 -5.681 1.00 0.00 N ATOM 980 CA VAL C 64 71.824 -5.319 -5.993 1.00 0.00 C ATOM 981 C VAL C 64 71.785 -4.423 -7.244 1.00 0.00 C ATOM 982 O VAL C 64 70.818 -4.419 -7.982 1.00 0.00 O ATOM 983 CB VAL C 64 71.308 -4.564 -4.756 1.00 0.00 C ATOM 984 CG1 VAL C 64 69.818 -4.254 -4.925 1.00 0.00 C ATOM 985 CG2 VAL C 64 71.501 -5.430 -3.506 1.00 0.00 C ATOM 0 H VAL C 64 73.672 -5.133 -4.934 1.00 0.00 H new ATOM 0 HA VAL C 64 71.207 -6.193 -6.203 1.00 0.00 H new ATOM 0 HB VAL C 64 71.866 -3.634 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL C 64 69.456 -3.719 -4.047 1.00 0.00 H new ATOM 0 HG12 VAL C 64 69.673 -3.636 -5.811 1.00 0.00 H new ATOM 0 HG13 VAL C 64 69.263 -5.185 -5.037 1.00 0.00 H new ATOM 0 HG21 VAL C 64 71.135 -4.893 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL C 64 70.946 -6.361 -3.619 1.00 0.00 H new ATOM 0 HG23 VAL C 64 72.560 -5.653 -3.378 1.00 0.00 H new ATOM 995 N ASP C 65 72.837 -3.673 -7.487 1.00 0.00 N ATOM 996 CA ASP C 65 72.874 -2.788 -8.691 1.00 0.00 C ATOM 997 C ASP C 65 73.094 -3.633 -9.955 1.00 0.00 C ATOM 998 O ASP C 65 74.213 -3.883 -10.366 1.00 0.00 O ATOM 999 CB ASP C 65 74.063 -1.846 -8.460 1.00 0.00 C ATOM 1000 CG ASP C 65 73.883 -0.556 -9.266 1.00 0.00 C ATOM 1001 OD1 ASP C 65 73.569 -0.642 -10.442 1.00 0.00 O ATOM 1002 OD2 ASP C 65 74.068 0.502 -8.693 1.00 0.00 O1- ATOM 0 H ASP C 65 73.671 -3.638 -6.901 1.00 0.00 H new ATOM 0 HA ASP C 65 71.943 -2.238 -8.830 1.00 0.00 H new ATOM 0 HB2 ASP C 65 74.149 -1.611 -7.399 1.00 0.00 H new ATOM 0 HB3 ASP C 65 74.989 -2.340 -8.753 1.00 0.00 H new ATOM 1007 N GLU C 66 72.032 -4.077 -10.569 1.00 0.00 N ATOM 1008 CA GLU C 66 72.168 -4.908 -11.806 1.00 0.00 C ATOM 1009 C GLU C 66 72.251 -4.017 -13.056 1.00 0.00 C ATOM 1010 O GLU C 66 72.840 -4.393 -14.051 1.00 0.00 O ATOM 1011 CB GLU C 66 70.917 -5.787 -11.838 1.00 0.00 C ATOM 1012 CG GLU C 66 71.119 -6.986 -10.905 1.00 0.00 C ATOM 1013 CD GLU C 66 69.769 -7.616 -10.565 1.00 0.00 C ATOM 1014 OE1 GLU C 66 69.177 -7.207 -9.583 1.00 0.00 O1- ATOM 1015 OE2 GLU C 66 69.356 -8.508 -11.288 1.00 0.00 O ATOM 0 H GLU C 66 71.073 -3.902 -10.269 1.00 0.00 H new ATOM 0 HA GLU C 66 73.080 -5.505 -11.798 1.00 0.00 H new ATOM 0 HB2 GLU C 66 70.046 -5.211 -11.526 1.00 0.00 H new ATOM 0 HB3 GLU C 66 70.725 -6.130 -12.855 1.00 0.00 H new ATOM 0 HG2 GLU C 66 71.764 -7.724 -11.382 1.00 0.00 H new ATOM 0 HG3 GLU C 66 71.621 -6.666 -9.992 1.00 0.00 H new ATOM 1022 N ASP C 67 71.676 -2.835 -13.009 1.00 0.00 N ATOM 1023 CA ASP C 67 71.730 -1.911 -14.193 1.00 0.00 C ATOM 1024 C ASP C 67 73.171 -1.404 -14.431 1.00 0.00 C ATOM 1025 O ASP C 67 73.516 -1.001 -15.527 1.00 0.00 O ATOM 1026 CB ASP C 67 70.784 -0.745 -13.850 1.00 0.00 C ATOM 1027 CG ASP C 67 71.153 -0.132 -12.494 1.00 0.00 C ATOM 1028 OD1 ASP C 67 70.757 -0.690 -11.485 1.00 0.00 O1- ATOM 1029 OD2 ASP C 67 71.819 0.885 -12.485 1.00 0.00 O ATOM 0 H ASP C 67 71.171 -2.470 -12.201 1.00 0.00 H new ATOM 0 HA ASP C 67 71.428 -2.415 -15.111 1.00 0.00 H new ATOM 0 HB2 ASP C 67 70.841 0.017 -14.627 1.00 0.00 H new ATOM 0 HB3 ASP C 67 69.754 -1.100 -13.826 1.00 0.00 H new ATOM 1034 N GLY C 68 74.017 -1.441 -13.422 1.00 0.00 N ATOM 1035 CA GLY C 68 75.435 -0.987 -13.600 1.00 0.00 C ATOM 1036 C GLY C 68 75.543 0.542 -13.510 1.00 0.00 C ATOM 1037 O GLY C 68 76.050 1.183 -14.410 1.00 0.00 O ATOM 0 H GLY C 68 73.784 -1.767 -12.484 1.00 0.00 H new ATOM 0 HA2 GLY C 68 76.065 -1.444 -12.837 1.00 0.00 H new ATOM 0 HA3 GLY C 68 75.809 -1.325 -14.566 1.00 0.00 H new ATOM 1041 N SER C 69 75.096 1.131 -12.430 1.00 0.00 N ATOM 1042 CA SER C 69 75.203 2.620 -12.291 1.00 0.00 C ATOM 1043 C SER C 69 76.177 2.993 -11.158 1.00 0.00 C ATOM 1044 O SER C 69 76.836 4.014 -11.217 1.00 0.00 O ATOM 1045 CB SER C 69 73.790 3.115 -11.976 1.00 0.00 C ATOM 1046 OG SER C 69 73.438 2.753 -10.645 1.00 0.00 O ATOM 0 H SER C 69 74.663 0.651 -11.641 1.00 0.00 H new ATOM 0 HA SER C 69 75.591 3.078 -13.201 1.00 0.00 H new ATOM 0 HB2 SER C 69 73.739 4.197 -12.094 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.078 2.684 -12.680 1.00 0.00 H new ATOM 1052 N GLY C 70 76.271 2.182 -10.126 1.00 0.00 N ATOM 1053 CA GLY C 70 77.198 2.501 -8.996 1.00 0.00 C ATOM 1054 C GLY C 70 76.411 3.101 -7.823 1.00 0.00 C ATOM 1055 O GLY C 70 76.825 3.008 -6.683 1.00 0.00 O ATOM 0 H GLY C 70 75.745 1.315 -10.021 1.00 0.00 H new ATOM 0 HA2 GLY C 70 77.715 1.597 -8.673 1.00 0.00 H new ATOM 0 HA3 GLY C 70 77.962 3.204 -9.329 1.00 0.00 H new ATOM 1059 N THR C 71 75.286 3.719 -8.094 1.00 0.00 N ATOM 1060 CA THR C 71 74.476 4.335 -6.998 1.00 0.00 C ATOM 1061 C THR C 71 73.184 3.536 -6.759 1.00 0.00 C ATOM 1062 O THR C 71 72.659 2.889 -7.654 1.00 0.00 O ATOM 1063 CB THR C 71 74.154 5.752 -7.487 1.00 0.00 C ATOM 1064 OG1 THR C 71 73.705 5.703 -8.833 1.00 0.00 O ATOM 1065 CG2 THR C 71 75.410 6.624 -7.396 1.00 0.00 C ATOM 0 H THR C 71 74.894 3.823 -9.030 1.00 0.00 H new ATOM 0 HA THR C 71 75.014 4.343 -6.050 1.00 0.00 H new ATOM 0 HB THR C 71 73.370 6.180 -6.862 1.00 0.00 H new ATOM 0 HG1 THR C 71 73.498 6.610 -9.142 1.00 0.00 H new ATOM 0 HG21 THR C 71 75.180 7.631 -7.744 1.00 0.00 H new ATOM 0 HG22 THR C 71 75.749 6.666 -6.361 1.00 0.00 H new ATOM 0 HG23 THR C 71 76.196 6.196 -8.018 1.00 0.00 H new ATOM 1073 N VAL C 72 72.668 3.586 -5.554 1.00 0.00 N ATOM 1074 CA VAL C 72 71.410 2.844 -5.226 1.00 0.00 C ATOM 1075 C VAL C 72 70.180 3.714 -5.526 1.00 0.00 C ATOM 1076 O VAL C 72 70.149 4.893 -5.219 1.00 0.00 O ATOM 1077 CB VAL C 72 71.499 2.545 -3.721 1.00 0.00 C ATOM 1078 CG1 VAL C 72 70.188 1.916 -3.225 1.00 0.00 C ATOM 1079 CG2 VAL C 72 72.658 1.581 -3.456 1.00 0.00 C ATOM 0 H VAL C 72 73.068 4.113 -4.778 1.00 0.00 H new ATOM 0 HA VAL C 72 71.308 1.935 -5.818 1.00 0.00 H new ATOM 0 HB VAL C 72 71.669 3.479 -3.186 1.00 0.00 H new ATOM 0 HG11 VAL C 72 70.265 1.709 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL C 72 69.363 2.606 -3.403 1.00 0.00 H new ATOM 0 HG13 VAL C 72 70.005 0.986 -3.762 1.00 0.00 H new ATOM 0 HG21 VAL C 72 72.719 1.370 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL C 72 72.490 0.652 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL C 72 73.591 2.034 -3.791 1.00 0.00 H new ATOM 1089 N ASP C 73 69.165 3.129 -6.108 1.00 0.00 N ATOM 1090 CA ASP C 73 67.914 3.897 -6.417 1.00 0.00 C ATOM 1091 C ASP C 73 66.763 3.413 -5.519 1.00 0.00 C ATOM 1092 O ASP C 73 66.978 2.690 -4.561 1.00 0.00 O ATOM 1093 CB ASP C 73 67.607 3.629 -7.901 1.00 0.00 C ATOM 1094 CG ASP C 73 67.679 2.129 -8.206 1.00 0.00 C ATOM 1095 OD1 ASP C 73 66.725 1.432 -7.900 1.00 0.00 O1- ATOM 1096 OD2 ASP C 73 68.690 1.706 -8.745 1.00 0.00 O ATOM 0 H ASP C 73 69.146 2.148 -6.385 1.00 0.00 H new ATOM 0 HA ASP C 73 68.035 4.964 -6.231 1.00 0.00 H new ATOM 0 HB2 ASP C 73 66.615 4.008 -8.147 1.00 0.00 H new ATOM 0 HB3 ASP C 73 68.318 4.167 -8.528 1.00 0.00 H new ATOM 1101 N PHE C 74 65.549 3.811 -5.813 1.00 0.00 N ATOM 1102 CA PHE C 74 64.383 3.384 -4.972 1.00 0.00 C ATOM 1103 C PHE C 74 64.240 1.855 -4.966 1.00 0.00 C ATOM 1104 O PHE C 74 64.083 1.247 -3.923 1.00 0.00 O ATOM 1105 CB PHE C 74 63.161 4.038 -5.627 1.00 0.00 C ATOM 1106 CG PHE C 74 62.072 4.227 -4.597 1.00 0.00 C ATOM 1107 CD1 PHE C 74 62.256 5.123 -3.535 1.00 0.00 C ATOM 1108 CD2 PHE C 74 60.877 3.505 -4.703 1.00 0.00 C ATOM 1109 CE1 PHE C 74 61.245 5.292 -2.581 1.00 0.00 C ATOM 1110 CE2 PHE C 74 59.868 3.675 -3.748 1.00 0.00 C ATOM 1111 CZ PHE C 74 60.052 4.568 -2.688 1.00 0.00 C ATOM 0 H PHE C 74 65.313 4.415 -6.601 1.00 0.00 H new ATOM 0 HA PHE C 74 64.502 3.685 -3.931 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.438 5.000 -6.058 1.00 0.00 H new ATOM 0 HB3 PHE C 74 62.798 3.415 -6.445 1.00 0.00 H new ATOM 0 HD1 PHE C 74 63.176 5.682 -3.453 1.00 0.00 H new ATOM 0 HD2 PHE C 74 60.734 2.816 -5.522 1.00 0.00 H new ATOM 0 HE1 PHE C 74 61.386 5.982 -1.762 1.00 0.00 H new ATOM 0 HE2 PHE C 74 58.947 3.116 -3.830 1.00 0.00 H new ATOM 0 HZ PHE C 74 59.273 4.699 -1.951 1.00 0.00 H new ATOM 1121 N ASP C 75 64.292 1.233 -6.119 1.00 0.00 N ATOM 1122 CA ASP C 75 64.153 -0.258 -6.179 1.00 0.00 C ATOM 1123 C ASP C 75 65.314 -0.942 -5.443 1.00 0.00 C ATOM 1124 O ASP C 75 65.105 -1.841 -4.652 1.00 0.00 O ATOM 1125 CB ASP C 75 64.170 -0.611 -7.672 1.00 0.00 C ATOM 1126 CG ASP C 75 63.212 -1.774 -7.935 1.00 0.00 C ATOM 1127 OD1 ASP C 75 62.025 -1.523 -8.064 1.00 0.00 O ATOM 1128 OD2 ASP C 75 63.681 -2.897 -8.006 1.00 0.00 O1- ATOM 0 H ASP C 75 64.424 1.692 -7.020 1.00 0.00 H new ATOM 0 HA ASP C 75 63.237 -0.598 -5.696 1.00 0.00 H new ATOM 0 HB2 ASP C 75 63.877 0.256 -8.264 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.180 -0.881 -7.981 1.00 0.00 H new ATOM 1133 N GLU C 76 66.533 -0.522 -5.686 1.00 0.00 N ATOM 1134 CA GLU C 76 67.696 -1.152 -4.982 1.00 0.00 C ATOM 1135 C GLU C 76 67.573 -0.932 -3.471 1.00 0.00 C ATOM 1136 O GLU C 76 67.782 -1.835 -2.684 1.00 0.00 O ATOM 1137 CB GLU C 76 68.937 -0.440 -5.520 1.00 0.00 C ATOM 1138 CG GLU C 76 69.754 -1.400 -6.393 1.00 0.00 C ATOM 1139 CD GLU C 76 70.434 -0.626 -7.524 1.00 0.00 C ATOM 1140 OE1 GLU C 76 71.257 0.222 -7.228 1.00 0.00 O ATOM 1141 OE2 GLU C 76 70.129 -0.902 -8.669 1.00 0.00 O1- ATOM 0 H GLU C 76 66.772 0.225 -6.337 1.00 0.00 H new ATOM 0 HA GLU C 76 67.743 -2.227 -5.154 1.00 0.00 H new ATOM 0 HB2 GLU C 76 68.642 0.433 -6.102 1.00 0.00 H new ATOM 0 HB3 GLU C 76 69.547 -0.079 -4.692 1.00 0.00 H new ATOM 0 HG2 GLU C 76 70.504 -1.908 -5.786 1.00 0.00 H new ATOM 0 HG3 GLU C 76 69.104 -2.171 -6.808 1.00 0.00 H new ATOM 1148 N PHE C 77 67.219 0.264 -3.065 1.00 0.00 N ATOM 1149 CA PHE C 77 67.063 0.556 -1.608 1.00 0.00 C ATOM 1150 C PHE C 77 65.957 -0.328 -1.016 1.00 0.00 C ATOM 1151 O PHE C 77 66.052 -0.777 0.106 1.00 0.00 O ATOM 1152 CB PHE C 77 66.675 2.038 -1.534 1.00 0.00 C ATOM 1153 CG PHE C 77 66.470 2.447 -0.092 1.00 0.00 C ATOM 1154 CD1 PHE C 77 67.441 2.144 0.871 1.00 0.00 C ATOM 1155 CD2 PHE C 77 65.308 3.131 0.280 1.00 0.00 C ATOM 1156 CE1 PHE C 77 67.250 2.526 2.205 1.00 0.00 C ATOM 1157 CE2 PHE C 77 65.117 3.513 1.612 1.00 0.00 C ATOM 1158 CZ PHE C 77 66.087 3.211 2.575 1.00 0.00 C ATOM 0 H PHE C 77 67.031 1.052 -3.684 1.00 0.00 H new ATOM 0 HA PHE C 77 67.972 0.352 -1.042 1.00 0.00 H new ATOM 0 HB2 PHE C 77 67.455 2.650 -1.987 1.00 0.00 H new ATOM 0 HB3 PHE C 77 65.762 2.212 -2.104 1.00 0.00 H new ATOM 0 HD1 PHE C 77 68.338 1.615 0.585 1.00 0.00 H new ATOM 0 HD2 PHE C 77 64.558 3.364 -0.461 1.00 0.00 H new ATOM 0 HE1 PHE C 77 67.999 2.292 2.947 1.00 0.00 H new ATOM 0 HE2 PHE C 77 64.220 4.042 1.898 1.00 0.00 H new ATOM 0 HZ PHE C 77 65.938 3.506 3.603 1.00 0.00 H new ATOM 1168 N LEU C 78 64.919 -0.588 -1.774 1.00 0.00 N ATOM 1169 CA LEU C 78 63.807 -1.456 -1.269 1.00 0.00 C ATOM 1170 C LEU C 78 64.333 -2.873 -0.994 1.00 0.00 C ATOM 1171 O LEU C 78 64.130 -3.421 0.074 1.00 0.00 O ATOM 1172 CB LEU C 78 62.766 -1.472 -2.396 1.00 0.00 C ATOM 1173 CG LEU C 78 61.506 -0.739 -1.937 1.00 0.00 C ATOM 1174 CD1 LEU C 78 60.684 -0.326 -3.158 1.00 0.00 C ATOM 1175 CD2 LEU C 78 60.677 -1.670 -1.050 1.00 0.00 C ATOM 0 H LEU C 78 64.793 -0.236 -2.723 1.00 0.00 H new ATOM 0 HA LEU C 78 63.382 -1.086 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU C 78 63.173 -0.995 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU C 78 62.523 -2.500 -2.667 1.00 0.00 H new ATOM 0 HG LEU C 78 61.783 0.151 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU C 78 59.785 0.197 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU C 78 61.278 0.334 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU C 78 60.402 -1.214 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU C 78 59.777 -1.152 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU C 78 60.397 -2.558 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU C 78 61.266 -1.964 -0.181 1.00 0.00 H new ATOM 1187 N VAL C 79 65.018 -3.459 -1.948 1.00 0.00 N ATOM 1188 CA VAL C 79 65.577 -4.833 -1.747 1.00 0.00 C ATOM 1189 C VAL C 79 66.645 -4.800 -0.644 1.00 0.00 C ATOM 1190 O VAL C 79 66.631 -5.611 0.263 1.00 0.00 O ATOM 1191 CB VAL C 79 66.185 -5.224 -3.106 1.00 0.00 C ATOM 1192 CG1 VAL C 79 67.289 -6.274 -2.916 1.00 0.00 C ATOM 1193 CG2 VAL C 79 65.085 -5.807 -3.997 1.00 0.00 C ATOM 0 H VAL C 79 65.214 -3.043 -2.859 1.00 0.00 H new ATOM 0 HA VAL C 79 64.823 -5.554 -1.432 1.00 0.00 H new ATOM 0 HB VAL C 79 66.616 -4.337 -3.570 1.00 0.00 H new ATOM 0 HG11 VAL C 79 67.709 -6.540 -3.886 1.00 0.00 H new ATOM 0 HG12 VAL C 79 68.074 -5.865 -2.280 1.00 0.00 H new ATOM 0 HG13 VAL C 79 66.868 -7.163 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL C 79 65.508 -6.086 -4.962 1.00 0.00 H new ATOM 0 HG22 VAL C 79 64.659 -6.689 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL C 79 64.304 -5.061 -4.146 1.00 0.00 H new ATOM 1203 N MET C 80 67.561 -3.859 -0.709 1.00 0.00 N ATOM 1204 CA MET C 80 68.622 -3.760 0.346 1.00 0.00 C ATOM 1205 C MET C 80 67.971 -3.653 1.733 1.00 0.00 C ATOM 1206 O MET C 80 68.408 -4.280 2.676 1.00 0.00 O ATOM 1207 CB MET C 80 69.417 -2.489 0.006 1.00 0.00 C ATOM 1208 CG MET C 80 70.328 -2.101 1.181 1.00 0.00 C ATOM 1209 SD MET C 80 72.054 -2.467 0.765 1.00 0.00 S ATOM 1210 CE MET C 80 72.738 -0.816 1.068 1.00 0.00 C ATOM 0 H MET C 80 67.619 -3.157 -1.446 1.00 0.00 H new ATOM 0 HA MET C 80 69.270 -4.636 0.369 1.00 0.00 H new ATOM 0 HB2 MET C 80 70.017 -2.655 -0.889 1.00 0.00 H new ATOM 0 HB3 MET C 80 68.731 -1.672 -0.217 1.00 0.00 H new ATOM 0 HG2 MET C 80 70.215 -1.040 1.406 1.00 0.00 H new ATOM 0 HG3 MET C 80 70.036 -2.649 2.076 1.00 0.00 H new ATOM 0 HE1 MET C 80 73.434 -0.559 0.270 1.00 0.00 H new ATOM 0 HE2 MET C 80 71.929 -0.086 1.093 1.00 0.00 H new ATOM 0 HE3 MET C 80 73.263 -0.809 2.023 1.00 0.00 H new ATOM 1220 N MET C 81 66.927 -2.867 1.861 1.00 0.00 N ATOM 1221 CA MET C 81 66.247 -2.724 3.185 1.00 0.00 C ATOM 1222 C MET C 81 65.688 -4.074 3.663 1.00 0.00 C ATOM 1223 O MET C 81 65.836 -4.437 4.813 1.00 0.00 O ATOM 1224 CB MET C 81 65.109 -1.722 2.956 1.00 0.00 C ATOM 1225 CG MET C 81 65.454 -0.394 3.634 1.00 0.00 C ATOM 1226 SD MET C 81 65.219 -0.552 5.422 1.00 0.00 S ATOM 1227 CE MET C 81 66.918 -0.173 5.910 1.00 0.00 C ATOM 0 H MET C 81 66.518 -2.319 1.104 1.00 0.00 H new ATOM 0 HA MET C 81 66.939 -2.383 3.955 1.00 0.00 H new ATOM 0 HB2 MET C 81 64.955 -1.568 1.888 1.00 0.00 H new ATOM 0 HB3 MET C 81 64.176 -2.117 3.359 1.00 0.00 H new ATOM 0 HG2 MET C 81 66.486 -0.118 3.415 1.00 0.00 H new ATOM 0 HG3 MET C 81 64.821 0.402 3.242 1.00 0.00 H new ATOM 0 HE1 MET C 81 66.930 0.185 6.940 1.00 0.00 H new ATOM 0 HE2 MET C 81 67.528 -1.073 5.831 1.00 0.00 H new ATOM 0 HE3 MET C 81 67.322 0.598 5.254 1.00 0.00 H new ATOM 1237 N VAL C 82 65.043 -4.815 2.793 1.00 0.00 N ATOM 1238 CA VAL C 82 64.467 -6.136 3.213 1.00 0.00 C ATOM 1239 C VAL C 82 65.578 -7.125 3.614 1.00 0.00 C ATOM 1240 O VAL C 82 65.439 -7.855 4.579 1.00 0.00 O ATOM 1241 CB VAL C 82 63.689 -6.650 1.993 1.00 0.00 C ATOM 1242 CG1 VAL C 82 63.341 -8.129 2.184 1.00 0.00 C ATOM 1243 CG2 VAL C 82 62.398 -5.838 1.839 1.00 0.00 C ATOM 0 H VAL C 82 64.890 -4.566 1.816 1.00 0.00 H new ATOM 0 HA VAL C 82 63.824 -6.032 4.087 1.00 0.00 H new ATOM 0 HB VAL C 82 64.303 -6.539 1.099 1.00 0.00 H new ATOM 0 HG11 VAL C 82 62.789 -8.488 1.315 1.00 0.00 H new ATOM 0 HG12 VAL C 82 64.258 -8.707 2.296 1.00 0.00 H new ATOM 0 HG13 VAL C 82 62.728 -8.246 3.077 1.00 0.00 H new ATOM 0 HG21 VAL C 82 61.842 -6.199 0.974 1.00 0.00 H new ATOM 0 HG22 VAL C 82 61.788 -5.951 2.735 1.00 0.00 H new ATOM 0 HG23 VAL C 82 62.645 -4.786 1.698 1.00 0.00 H new ATOM 1253 N ARG C 83 66.668 -7.163 2.885 1.00 0.00 N ATOM 1254 CA ARG C 83 67.770 -8.120 3.239 1.00 0.00 C ATOM 1255 C ARG C 83 68.651 -7.569 4.371 1.00 0.00 C ATOM 1256 O ARG C 83 69.269 -8.323 5.099 1.00 0.00 O ATOM 1257 CB ARG C 83 68.587 -8.317 1.953 1.00 0.00 C ATOM 1258 CG ARG C 83 69.393 -7.054 1.620 1.00 0.00 C ATOM 1259 CD ARG C 83 70.697 -7.454 0.924 1.00 0.00 C ATOM 1260 NE ARG C 83 70.428 -7.318 -0.535 1.00 0.00 N ATOM 1261 CZ ARG C 83 71.136 -7.992 -1.397 1.00 0.00 C ATOM 1262 NH1 ARG C 83 72.416 -7.763 -1.516 1.00 0.00 N1+ ATOM 1263 NH2 ARG C 83 70.571 -8.912 -2.127 1.00 0.00 N ATOM 0 H ARG C 83 66.844 -6.579 2.067 1.00 0.00 H new ATOM 0 HA ARG C 83 67.366 -9.064 3.605 1.00 0.00 H new ATOM 0 HB2 ARG C 83 69.263 -9.164 2.072 1.00 0.00 H new ATOM 0 HB3 ARG C 83 67.919 -8.556 1.126 1.00 0.00 H new ATOM 0 HG2 ARG C 83 68.810 -6.396 0.975 1.00 0.00 H new ATOM 0 HG3 ARG C 83 69.610 -6.496 2.531 1.00 0.00 H new ATOM 0 HD2 ARG C 83 71.520 -6.810 1.233 1.00 0.00 H new ATOM 0 HD3 ARG C 83 70.980 -8.476 1.177 1.00 0.00 H new ATOM 0 HE ARG C 83 69.688 -6.696 -0.860 1.00 0.00 H new ATOM 0 HH11 ARG C 83 72.864 -7.055 -0.934 1.00 0.00 H new ATOM 0 HH12 ARG C 83 72.968 -8.292 -2.191 1.00 0.00 H new ATOM 0 HH21 ARG C 83 69.575 -9.105 -2.024 1.00 0.00 H new ATOM 0 HH22 ARG C 83 71.125 -9.439 -2.802 1.00 0.00 H new ATOM 1277 N SER C 84 68.717 -6.270 4.531 1.00 0.00 N ATOM 1278 CA SER C 84 69.564 -5.696 5.623 1.00 0.00 C ATOM 1279 C SER C 84 68.787 -5.650 6.943 1.00 0.00 C ATOM 1280 O SER C 84 69.374 -5.593 8.005 1.00 0.00 O ATOM 1281 CB SER C 84 69.936 -4.283 5.160 1.00 0.00 C ATOM 1282 OG SER C 84 68.811 -3.422 5.304 1.00 0.00 O ATOM 0 H SER C 84 68.224 -5.586 3.957 1.00 0.00 H new ATOM 0 HA SER C 84 70.451 -6.303 5.805 1.00 0.00 H new ATOM 0 HB2 SER C 84 70.773 -3.906 5.747 1.00 0.00 H new ATOM 0 HB3 SER C 84 70.260 -4.304 4.120 1.00 0.00 H new ATOM 0 HG SER C 84 67.992 -3.917 5.094 1.00 0.00 H new ATOM 1288 N MET C 85 67.474 -5.676 6.891 1.00 0.00 N ATOM 1289 CA MET C 85 66.669 -5.636 8.152 1.00 0.00 C ATOM 1290 C MET C 85 67.054 -6.814 9.065 1.00 0.00 C ATOM 1291 O MET C 85 67.217 -6.650 10.257 1.00 0.00 O ATOM 1292 CB MET C 85 65.205 -5.749 7.704 1.00 0.00 C ATOM 1293 CG MET C 85 64.562 -4.358 7.664 1.00 0.00 C ATOM 1294 SD MET C 85 62.767 -4.534 7.482 1.00 0.00 S ATOM 1295 CE MET C 85 62.449 -2.954 6.655 1.00 0.00 C ATOM 0 H MET C 85 66.928 -5.723 6.031 1.00 0.00 H new ATOM 0 HA MET C 85 66.844 -4.724 8.722 1.00 0.00 H new ATOM 0 HB2 MET C 85 65.152 -6.212 6.719 1.00 0.00 H new ATOM 0 HB3 MET C 85 64.655 -6.394 8.389 1.00 0.00 H new ATOM 0 HG2 MET C 85 64.795 -3.811 8.577 1.00 0.00 H new ATOM 0 HG3 MET C 85 64.969 -3.780 6.834 1.00 0.00 H new ATOM 0 HE1 MET C 85 61.383 -2.859 6.449 1.00 0.00 H new ATOM 0 HE2 MET C 85 62.768 -2.135 7.300 1.00 0.00 H new ATOM 0 HE3 MET C 85 63.005 -2.915 5.718 1.00 0.00 H new ATOM 1305 N LYS C 86 67.212 -7.996 8.502 1.00 0.00 N ATOM 1306 CA LYS C 86 67.602 -9.199 9.314 1.00 0.00 C ATOM 1307 C LYS C 86 66.678 -9.360 10.535 1.00 0.00 C ATOM 1308 O LYS C 86 67.100 -9.211 11.667 1.00 0.00 O ATOM 1309 CB LYS C 86 69.052 -8.935 9.753 1.00 0.00 C ATOM 1310 CG LYS C 86 69.907 -10.182 9.507 1.00 0.00 C ATOM 1311 CD LYS C 86 69.589 -11.251 10.560 1.00 0.00 C ATOM 1312 CE LYS C 86 70.818 -11.486 11.444 1.00 0.00 C ATOM 1313 NZ LYS C 86 70.284 -12.092 12.697 1.00 0.00 N1+ ATOM 0 H LYS C 86 67.086 -8.178 7.506 1.00 0.00 H new ATOM 0 HA LYS C 86 67.513 -10.122 8.741 1.00 0.00 H new ATOM 0 HB2 LYS C 86 69.460 -8.089 9.200 1.00 0.00 H new ATOM 0 HB3 LYS C 86 69.078 -8.668 10.809 1.00 0.00 H new ATOM 0 HG2 LYS C 86 69.714 -10.574 8.509 1.00 0.00 H new ATOM 0 HG3 LYS C 86 70.965 -9.922 9.548 1.00 0.00 H new ATOM 0 HD2 LYS C 86 68.745 -10.933 11.172 1.00 0.00 H new ATOM 0 HD3 LYS C 86 69.297 -12.181 10.072 1.00 0.00 H new ATOM 0 HE2 LYS C 86 71.532 -12.151 10.958 1.00 0.00 H new ATOM 0 HE3 LYS C 86 71.341 -10.552 11.649 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 71.069 -12.282 13.353 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 69.612 -11.434 13.142 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 69.798 -12.983 12.472 1.00 0.00 H new ATOM 1327 N ASP C 87 65.419 -9.663 10.299 1.00 0.00 N ATOM 1328 CA ASP C 87 64.428 -9.840 11.417 1.00 0.00 C ATOM 1329 C ASP C 87 64.206 -8.512 12.163 1.00 0.00 C ATOM 1330 O ASP C 87 63.196 -7.861 11.979 1.00 0.00 O ATOM 1331 CB ASP C 87 65.016 -10.919 12.342 1.00 0.00 C ATOM 1332 CG ASP C 87 63.967 -11.334 13.373 1.00 0.00 C ATOM 1333 OD1 ASP C 87 63.035 -12.023 12.998 1.00 0.00 O ATOM 1334 OD2 ASP C 87 64.114 -10.954 14.524 1.00 0.00 O1- ATOM 0 H ASP C 87 65.030 -9.797 9.366 1.00 0.00 H new ATOM 0 HA ASP C 87 63.450 -10.144 11.043 1.00 0.00 H new ATOM 0 HB2 ASP C 87 65.328 -11.784 11.757 1.00 0.00 H new ATOM 0 HB3 ASP C 87 65.904 -10.537 12.845 1.00 0.00 H new ATOM 1339 N ASP C 88 65.134 -8.099 12.993 1.00 0.00 N ATOM 1340 CA ASP C 88 64.957 -6.813 13.729 1.00 0.00 C ATOM 1341 C ASP C 88 66.124 -5.864 13.448 1.00 0.00 C ATOM 1342 O ASP C 88 67.261 -6.280 13.318 1.00 0.00 O ATOM 1343 CB ASP C 88 64.908 -7.193 15.209 1.00 0.00 C ATOM 1344 CG ASP C 88 63.820 -6.368 15.891 1.00 0.00 C ATOM 1345 OD1 ASP C 88 62.689 -6.820 15.912 1.00 0.00 O ATOM 1346 OD2 ASP C 88 64.134 -5.291 16.368 1.00 0.00 O1- ATOM 0 H ASP C 88 66.002 -8.597 13.190 1.00 0.00 H new ATOM 0 HA ASP C 88 64.052 -6.291 13.419 1.00 0.00 H new ATOM 0 HB2 ASP C 88 64.700 -8.257 15.319 1.00 0.00 H new ATOM 0 HB3 ASP C 88 65.874 -7.007 15.679 1.00 0.00 H new ATOM 1351 N SER C 89 65.844 -4.591 13.350 1.00 0.00 N ATOM 1352 CA SER C 89 66.926 -3.601 13.070 1.00 0.00 C ATOM 1353 C SER C 89 66.807 -2.390 14.006 1.00 0.00 C ATOM 1354 O SER C 89 65.759 -1.760 14.016 1.00 0.00 O ATOM 1355 CB SER C 89 66.720 -3.194 11.608 1.00 0.00 C ATOM 1356 OG SER C 89 65.377 -2.761 11.410 1.00 0.00 O ATOM 1357 OXT SER C 89 67.771 -2.114 14.700 1.00 0.00 O ATOM 0 H SER C 89 64.910 -4.193 13.452 1.00 0.00 H new ATOM 0 HA SER C 89 67.920 -4.016 13.237 1.00 0.00 H new ATOM 0 HB2 SER C 89 67.412 -2.395 11.343 1.00 0.00 H new ATOM 0 HB3 SER C 89 66.940 -4.036 10.952 1.00 0.00 H new ATOM 0 HG SER C 89 65.037 -2.360 12.237 1.00 0.00 H new TER 1363 SER C 89 HETATM 1364 CA CA C 101 71.595 1.190 -9.690 1.00 0.00 CA