USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 688 hydrogens (22 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: T 69 SER OG : rot -121:sc= 1.04 USER MOD Set 1.2: T 71 THR OG1 : rot 28:sc= 0.4 USER MOD Single : T 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : T 1 MET N :NH3+ -168:sc= 0 (180deg=-0.172) USER MOD Single : T 5 TYR OH : rot 180:sc= 0 USER MOD Single : T 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 11 GLN :FLIP amide:sc= -0.0264 F(o=-1.3,f=-0.026) USER MOD Single : T 13 THR OG1 : rot 180:sc= 0 USER MOD Single : T 16 GLN : amide:sc= -8.9! C(o=-8.9!,f=-18!) USER MOD Single : T 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 18 ASN :FLIP amide:sc= -1.18 F(o=-4.3!,f=-1.2) USER MOD Single : T 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 35 SER OG : rot 31:sc= 0.322 USER MOD Single : T 37 SER OG : rot 180:sc= -0.0252 USER MOD Single : T 38 THR OG1 : rot 180:sc= 0 USER MOD Single : T 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 43 LYS NZ :NH3+ 173:sc= 0.609 (180deg=0.58) USER MOD Single : T 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : T 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : T 50 GLN : amide:sc= -0.179 X(o=-0.18,f=0.12) USER MOD Single : T 51 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.83) USER MOD Single : T 53 THR OG1 : rot 180:sc= 0.174 USER MOD Single : T 58 GLN : amide:sc= -2.07! C(o=-2.1!,f=-3.5!) USER MOD Single : T 60 MET CE :methyl 152:sc= -1.84 (180deg=-3.38!) USER MOD Single : T 80 MET CE :methyl 175:sc= -0.72 (180deg=-0.838) USER MOD Single : T 81 MET CE :methyl 167:sc= -6.53 (180deg=-7.44!) USER MOD Single : T 84 SER OG : rot 102:sc= 1.23 USER MOD Single : T 85 MET CE :methyl 169:sc= 0 (180deg=-0.2) USER MOD Single : T 86 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.154) USER MOD Single : T 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET T 1 76.788 -17.872 8.340 1.00 0.00 N ATOM 2 CA MET T 1 75.911 -18.352 7.236 1.00 0.00 C ATOM 3 C MET T 1 75.674 -17.216 6.246 1.00 0.00 C ATOM 4 O MET T 1 75.810 -17.395 5.037 1.00 0.00 O ATOM 5 CB MET T 1 74.577 -18.827 7.817 1.00 0.00 C ATOM 6 CG MET T 1 74.811 -20.060 8.690 1.00 0.00 C ATOM 7 SD MET T 1 73.220 -20.821 9.099 1.00 0.00 S ATOM 8 CE MET T 1 73.122 -21.926 7.670 1.00 0.00 C ATOM 0 H1 MET T 1 77.116 -18.684 8.901 1.00 0.00 H new ATOM 0 H2 MET T 1 77.608 -17.374 7.940 1.00 0.00 H new ATOM 0 H3 MET T 1 76.253 -17.223 8.951 1.00 0.00 H new ATOM 0 HA MET T 1 76.392 -19.182 6.718 1.00 0.00 H new ATOM 0 HB2 MET T 1 74.121 -18.032 8.407 1.00 0.00 H new ATOM 0 HB3 MET T 1 73.882 -19.065 7.012 1.00 0.00 H new ATOM 0 HG2 MET T 1 75.444 -20.775 8.165 1.00 0.00 H new ATOM 0 HG3 MET T 1 75.337 -19.778 9.602 1.00 0.00 H new ATOM 0 HE1 MET T 1 72.199 -22.504 7.720 1.00 0.00 H new ATOM 0 HE2 MET T 1 73.132 -21.337 6.753 1.00 0.00 H new ATOM 0 HE3 MET T 1 73.975 -22.604 7.675 1.00 0.00 H new ATOM 20 N ASP T 2 75.320 -16.047 6.770 1.00 0.00 N ATOM 21 CA ASP T 2 75.068 -14.887 5.923 1.00 0.00 C ATOM 22 C ASP T 2 74.165 -15.265 4.753 1.00 0.00 C ATOM 23 O ASP T 2 74.344 -14.780 3.636 1.00 0.00 O ATOM 24 CB ASP T 2 76.391 -14.334 5.392 1.00 0.00 C ATOM 25 CG ASP T 2 77.242 -13.820 6.548 1.00 0.00 C ATOM 26 OD1 ASP T 2 77.106 -12.655 6.886 1.00 0.00 O ATOM 27 OD2 ASP T 2 78.018 -14.598 7.078 1.00 0.00 O ATOM 0 H ASP T 2 75.202 -15.878 7.769 1.00 0.00 H new ATOM 0 HA ASP T 2 74.569 -14.124 6.520 1.00 0.00 H new ATOM 0 HB2 ASP T 2 76.929 -15.112 4.851 1.00 0.00 H new ATOM 0 HB3 ASP T 2 76.200 -13.528 4.684 1.00 0.00 H new ATOM 32 N ASP T 3 73.195 -16.135 5.018 1.00 0.00 N ATOM 33 CA ASP T 3 72.269 -16.574 3.980 1.00 0.00 C ATOM 34 C ASP T 3 71.184 -15.527 3.748 1.00 0.00 C ATOM 35 O ASP T 3 70.885 -15.172 2.608 1.00 0.00 O ATOM 36 CB ASP T 3 71.621 -17.899 4.385 1.00 0.00 C ATOM 37 CG ASP T 3 72.643 -19.028 4.296 1.00 0.00 C ATOM 38 OD1 ASP T 3 73.815 -18.728 4.140 1.00 0.00 O ATOM 39 OD2 ASP T 3 72.239 -20.175 4.384 1.00 0.00 O ATOM 0 H ASP T 3 73.030 -16.547 5.936 1.00 0.00 H new ATOM 0 HA ASP T 3 72.830 -16.710 3.055 1.00 0.00 H new ATOM 0 HB2 ASP T 3 71.233 -17.828 5.401 1.00 0.00 H new ATOM 0 HB3 ASP T 3 70.773 -18.113 3.734 1.00 0.00 H new ATOM 44 N ILE T 4 70.595 -15.040 4.836 1.00 0.00 N ATOM 45 CA ILE T 4 69.538 -14.037 4.739 1.00 0.00 C ATOM 46 C ILE T 4 69.901 -12.949 3.728 1.00 0.00 C ATOM 47 O ILE T 4 69.041 -12.183 3.295 1.00 0.00 O ATOM 48 CB ILE T 4 69.268 -13.409 6.114 1.00 0.00 C ATOM 49 CG1 ILE T 4 70.439 -12.507 6.548 1.00 0.00 C ATOM 50 CG2 ILE T 4 69.064 -14.516 7.151 1.00 0.00 C ATOM 51 CD1 ILE T 4 71.765 -13.280 6.518 1.00 0.00 C ATOM 0 H ILE T 4 70.829 -15.320 5.788 1.00 0.00 H new ATOM 0 HA ILE T 4 68.633 -14.537 4.393 1.00 0.00 H new ATOM 0 HB ILE T 4 68.369 -12.797 6.043 1.00 0.00 H new ATOM 0 HG12 ILE T 4 70.502 -11.643 5.887 1.00 0.00 H new ATOM 0 HG13 ILE T 4 70.257 -12.127 7.553 1.00 0.00 H new ATOM 0 HG21 ILE T 4 68.872 -14.070 8.127 1.00 0.00 H new ATOM 0 HG22 ILE T 4 68.214 -15.134 6.861 1.00 0.00 H new ATOM 0 HG23 ILE T 4 69.960 -15.134 7.204 1.00 0.00 H new ATOM 0 HD11 ILE T 4 72.577 -12.622 6.828 1.00 0.00 H new ATOM 0 HD12 ILE T 4 71.706 -14.130 7.198 1.00 0.00 H new ATOM 0 HD13 ILE T 4 71.955 -13.638 5.506 1.00 0.00 H new ATOM 63 N TYR T 5 71.178 -12.887 3.355 1.00 0.00 N ATOM 64 CA TYR T 5 71.642 -11.889 2.393 1.00 0.00 C ATOM 65 C TYR T 5 71.512 -12.419 0.969 1.00 0.00 C ATOM 66 O TYR T 5 70.964 -11.749 0.094 1.00 0.00 O ATOM 67 CB TYR T 5 73.103 -11.534 2.674 1.00 0.00 C ATOM 68 CG TYR T 5 73.194 -10.756 3.967 1.00 0.00 C ATOM 69 CD1 TYR T 5 72.674 -9.458 4.040 1.00 0.00 C ATOM 70 CD2 TYR T 5 73.796 -11.332 5.095 1.00 0.00 C ATOM 71 CE1 TYR T 5 72.757 -8.736 5.237 1.00 0.00 C ATOM 72 CE2 TYR T 5 73.878 -10.610 6.291 1.00 0.00 C ATOM 73 CZ TYR T 5 73.359 -9.312 6.362 1.00 0.00 C ATOM 74 OH TYR T 5 73.441 -8.600 7.542 1.00 0.00 O ATOM 0 H TYR T 5 71.906 -13.512 3.702 1.00 0.00 H new ATOM 0 HA TYR T 5 71.024 -10.997 2.496 1.00 0.00 H new ATOM 0 HB2 TYR T 5 73.702 -12.442 2.741 1.00 0.00 H new ATOM 0 HB3 TYR T 5 73.509 -10.944 1.853 1.00 0.00 H new ATOM 0 HD1 TYR T 5 72.209 -9.013 3.173 1.00 0.00 H new ATOM 0 HD2 TYR T 5 74.197 -12.333 5.041 1.00 0.00 H new ATOM 0 HE1 TYR T 5 72.356 -7.735 5.292 1.00 0.00 H new ATOM 0 HE2 TYR T 5 74.342 -11.054 7.159 1.00 0.00 H new ATOM 0 HH TYR T 5 73.886 -9.146 8.223 1.00 0.00 H new ATOM 84 N LYS T 6 72.022 -13.626 0.744 1.00 0.00 N ATOM 85 CA LYS T 6 71.960 -14.238 -0.578 1.00 0.00 C ATOM 86 C LYS T 6 70.560 -14.101 -1.166 1.00 0.00 C ATOM 87 O LYS T 6 70.390 -14.033 -2.383 1.00 0.00 O ATOM 88 CB LYS T 6 72.333 -15.724 -0.489 1.00 0.00 C ATOM 89 CG LYS T 6 73.733 -15.891 0.134 1.00 0.00 C ATOM 90 CD LYS T 6 74.827 -15.759 -0.943 1.00 0.00 C ATOM 91 CE LYS T 6 74.770 -16.940 -1.933 1.00 0.00 C ATOM 92 NZ LYS T 6 76.151 -17.261 -2.390 1.00 0.00 N ATOM 0 H LYS T 6 72.480 -14.196 1.455 1.00 0.00 H new ATOM 0 HA LYS T 6 72.669 -13.724 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS T 6 71.595 -16.255 0.112 1.00 0.00 H new ATOM 0 HB3 LYS T 6 72.315 -16.170 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS T 6 73.884 -15.138 0.908 1.00 0.00 H new ATOM 0 HG3 LYS T 6 73.808 -16.865 0.618 1.00 0.00 H new ATOM 0 HD2 LYS T 6 74.700 -14.820 -1.483 1.00 0.00 H new ATOM 0 HD3 LYS T 6 75.808 -15.724 -0.469 1.00 0.00 H new ATOM 0 HE2 LYS T 6 74.321 -17.810 -1.455 1.00 0.00 H new ATOM 0 HE3 LYS T 6 74.141 -16.685 -2.786 1.00 0.00 H new ATOM 0 HZ1 LYS T 6 76.119 -18.057 -3.058 1.00 0.00 H new ATOM 0 HZ2 LYS T 6 76.563 -16.430 -2.861 1.00 0.00 H new ATOM 0 HZ3 LYS T 6 76.736 -17.520 -1.570 1.00 0.00 H new ATOM 106 N ALA T 7 69.559 -14.060 -0.293 1.00 0.00 N ATOM 107 CA ALA T 7 68.175 -13.930 -0.738 1.00 0.00 C ATOM 108 C ALA T 7 67.976 -12.626 -1.502 1.00 0.00 C ATOM 109 O ALA T 7 67.288 -12.591 -2.522 1.00 0.00 O ATOM 110 CB ALA T 7 67.234 -13.966 0.467 1.00 0.00 C ATOM 0 H ALA T 7 69.678 -14.114 0.719 1.00 0.00 H new ATOM 0 HA ALA T 7 67.948 -14.764 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA T 7 66.203 -13.868 0.127 1.00 0.00 H new ATOM 0 HB2 ALA T 7 67.354 -14.912 0.994 1.00 0.00 H new ATOM 0 HB3 ALA T 7 67.473 -13.143 1.140 1.00 0.00 H new ATOM 116 N ALA T 8 68.584 -11.554 -1.002 1.00 0.00 N ATOM 117 CA ALA T 8 68.467 -10.249 -1.646 1.00 0.00 C ATOM 118 C ALA T 8 69.415 -10.148 -2.837 1.00 0.00 C ATOM 119 O ALA T 8 69.293 -9.245 -3.664 1.00 0.00 O ATOM 120 CB ALA T 8 68.788 -9.142 -0.641 1.00 0.00 C ATOM 0 H ALA T 8 69.159 -11.562 -0.159 1.00 0.00 H new ATOM 0 HA ALA T 8 67.444 -10.132 -2.003 1.00 0.00 H new ATOM 0 HB1 ALA T 8 68.699 -8.171 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA T 8 68.089 -9.195 0.194 1.00 0.00 H new ATOM 0 HB3 ALA T 8 69.805 -9.270 -0.271 1.00 0.00 H new ATOM 126 N VAL T 9 70.360 -11.080 -2.916 1.00 0.00 N ATOM 127 CA VAL T 9 71.324 -11.083 -4.011 1.00 0.00 C ATOM 128 C VAL T 9 70.691 -11.637 -5.284 1.00 0.00 C ATOM 129 O VAL T 9 70.868 -11.084 -6.368 1.00 0.00 O ATOM 130 CB VAL T 9 72.541 -11.929 -3.634 1.00 0.00 C ATOM 131 CG1 VAL T 9 73.511 -11.984 -4.815 1.00 0.00 C ATOM 132 CG2 VAL T 9 73.243 -11.302 -2.427 1.00 0.00 C ATOM 0 H VAL T 9 70.479 -11.836 -2.242 1.00 0.00 H new ATOM 0 HA VAL T 9 71.639 -10.056 -4.194 1.00 0.00 H new ATOM 0 HB VAL T 9 72.217 -12.939 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL T 9 74.378 -12.587 -4.546 1.00 0.00 H new ATOM 0 HG12 VAL T 9 73.012 -12.430 -5.675 1.00 0.00 H new ATOM 0 HG13 VAL T 9 73.835 -10.974 -5.067 1.00 0.00 H new ATOM 0 HG21 VAL T 9 74.111 -11.904 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL T 9 73.566 -10.292 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL T 9 72.553 -11.263 -1.584 1.00 0.00 H new ATOM 142 N GLU T 10 69.954 -12.734 -5.142 1.00 0.00 N ATOM 143 CA GLU T 10 69.301 -13.356 -6.289 1.00 0.00 C ATOM 144 C GLU T 10 68.315 -12.388 -6.936 1.00 0.00 C ATOM 145 O GLU T 10 67.919 -12.569 -8.088 1.00 0.00 O ATOM 146 CB GLU T 10 68.561 -14.620 -5.846 1.00 0.00 C ATOM 147 CG GLU T 10 69.561 -15.616 -5.255 1.00 0.00 C ATOM 148 CD GLU T 10 70.424 -16.208 -6.362 1.00 0.00 C ATOM 149 OE1 GLU T 10 69.949 -16.278 -7.484 1.00 0.00 O ATOM 150 OE2 GLU T 10 71.548 -16.584 -6.074 1.00 0.00 O ATOM 0 H GLU T 10 69.795 -13.207 -4.253 1.00 0.00 H new ATOM 0 HA GLU T 10 70.066 -13.619 -7.020 1.00 0.00 H new ATOM 0 HB2 GLU T 10 67.801 -14.369 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU T 10 68.044 -15.068 -6.695 1.00 0.00 H new ATOM 0 HG2 GLU T 10 70.191 -15.117 -4.519 1.00 0.00 H new ATOM 0 HG3 GLU T 10 69.029 -16.411 -4.733 1.00 0.00 H new ATOM 157 N GLN T 11 67.923 -11.362 -6.188 1.00 0.00 N ATOM 158 CA GLN T 11 66.982 -10.372 -6.700 1.00 0.00 C ATOM 159 C GLN T 11 67.690 -9.386 -7.623 1.00 0.00 C ATOM 160 O GLN T 11 67.061 -8.753 -8.471 1.00 0.00 O ATOM 161 CB GLN T 11 66.338 -9.614 -5.537 1.00 0.00 C ATOM 162 CG GLN T 11 65.582 -10.598 -4.643 1.00 0.00 C ATOM 163 CD GLN T 11 65.014 -9.870 -3.429 1.00 0.00 C ATOM 164 OE1 GLN T 11 65.449 -8.675 -3.135 1.00 0.00 O flip ATOM 165 NE2 GLN T 11 64.152 -10.403 -2.731 1.00 0.00 N flip ATOM 0 H GLN T 11 68.239 -11.195 -5.233 1.00 0.00 H new ATOM 0 HA GLN T 11 66.210 -10.892 -7.267 1.00 0.00 H new ATOM 0 HB2 GLN T 11 67.103 -9.095 -4.959 1.00 0.00 H new ATOM 0 HB3 GLN T 11 65.656 -8.854 -5.918 1.00 0.00 H new ATOM 0 HG2 GLN T 11 64.775 -11.068 -5.206 1.00 0.00 H new ATOM 0 HG3 GLN T 11 66.251 -11.395 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN T 11 63.814 -11.337 -2.963 1.00 0.00 H new ATOM 0 HE22 GLN T 11 63.776 -9.911 -1.921 1.00 0.00 H new ATOM 174 N LEU T 12 69.003 -9.260 -7.452 1.00 0.00 N ATOM 175 CA LEU T 12 69.789 -8.347 -8.276 1.00 0.00 C ATOM 176 C LEU T 12 70.089 -8.973 -9.634 1.00 0.00 C ATOM 177 O LEU T 12 70.694 -10.043 -9.715 1.00 0.00 O ATOM 178 CB LEU T 12 71.102 -8.002 -7.569 1.00 0.00 C ATOM 179 CG LEU T 12 70.835 -7.745 -6.084 1.00 0.00 C ATOM 180 CD1 LEU T 12 72.140 -7.341 -5.394 1.00 0.00 C ATOM 181 CD2 LEU T 12 69.808 -6.619 -5.934 1.00 0.00 C ATOM 0 H LEU T 12 69.542 -9.775 -6.755 1.00 0.00 H new ATOM 0 HA LEU T 12 69.209 -7.437 -8.429 1.00 0.00 H new ATOM 0 HB2 LEU T 12 71.814 -8.819 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU T 12 71.552 -7.120 -8.026 1.00 0.00 H new ATOM 0 HG LEU T 12 70.446 -8.653 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU T 12 71.951 -7.158 -4.336 1.00 0.00 H new ATOM 0 HD12 LEU T 12 72.870 -8.143 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU T 12 72.530 -6.434 -5.855 1.00 0.00 H new ATOM 0 HD21 LEU T 12 69.619 -6.437 -4.876 1.00 0.00 H new ATOM 0 HD22 LEU T 12 70.195 -5.710 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU T 12 68.878 -6.907 -6.424 1.00 0.00 H new ATOM 193 N THR T 13 69.665 -8.299 -10.698 1.00 0.00 N ATOM 194 CA THR T 13 69.898 -8.799 -12.049 1.00 0.00 C ATOM 195 C THR T 13 71.349 -8.573 -12.457 1.00 0.00 C ATOM 196 O THR T 13 72.037 -7.722 -11.893 1.00 0.00 O ATOM 197 CB THR T 13 68.969 -8.087 -13.036 1.00 0.00 C ATOM 198 OG1 THR T 13 67.629 -8.183 -12.576 1.00 0.00 O ATOM 199 CG2 THR T 13 69.087 -8.738 -14.414 1.00 0.00 C ATOM 0 H THR T 13 69.162 -7.413 -10.653 1.00 0.00 H new ATOM 0 HA THR T 13 69.690 -9.869 -12.064 1.00 0.00 H new ATOM 0 HB THR T 13 69.253 -7.037 -13.109 1.00 0.00 H new ATOM 0 HG1 THR T 13 67.033 -7.726 -13.206 1.00 0.00 H new ATOM 0 HG21 THR T 13 68.425 -8.229 -15.115 1.00 0.00 H new ATOM 0 HG22 THR T 13 70.116 -8.661 -14.766 1.00 0.00 H new ATOM 0 HG23 THR T 13 68.805 -9.789 -14.345 1.00 0.00 H new ATOM 207 N GLU T 14 71.811 -9.341 -13.439 1.00 0.00 N ATOM 208 CA GLU T 14 73.185 -9.215 -13.911 1.00 0.00 C ATOM 209 C GLU T 14 73.402 -7.861 -14.579 1.00 0.00 C ATOM 210 O GLU T 14 74.465 -7.601 -15.145 1.00 0.00 O ATOM 211 CB GLU T 14 73.498 -10.333 -14.907 1.00 0.00 C ATOM 212 CG GLU T 14 73.558 -11.673 -14.171 1.00 0.00 C ATOM 213 CD GLU T 14 73.523 -12.820 -15.174 1.00 0.00 C ATOM 214 OE1 GLU T 14 74.585 -13.221 -15.624 1.00 0.00 O ATOM 215 OE2 GLU T 14 72.436 -13.282 -15.479 1.00 0.00 O ATOM 0 H GLU T 14 71.259 -10.051 -13.920 1.00 0.00 H new ATOM 0 HA GLU T 14 73.852 -9.294 -13.053 1.00 0.00 H new ATOM 0 HB2 GLU T 14 72.734 -10.367 -15.683 1.00 0.00 H new ATOM 0 HB3 GLU T 14 74.448 -10.136 -15.403 1.00 0.00 H new ATOM 0 HG2 GLU T 14 74.468 -11.729 -13.574 1.00 0.00 H new ATOM 0 HG3 GLU T 14 72.718 -11.756 -13.481 1.00 0.00 H new ATOM 222 N GLU T 15 72.387 -7.003 -14.515 1.00 0.00 N ATOM 223 CA GLU T 15 72.472 -5.675 -15.120 1.00 0.00 C ATOM 224 C GLU T 15 73.068 -4.667 -14.141 1.00 0.00 C ATOM 225 O GLU T 15 74.045 -3.988 -14.454 1.00 0.00 O ATOM 226 CB GLU T 15 71.078 -5.209 -15.544 1.00 0.00 C ATOM 227 CG GLU T 15 70.618 -6.015 -16.760 1.00 0.00 C ATOM 228 CD GLU T 15 69.140 -5.754 -17.029 1.00 0.00 C ATOM 229 OE1 GLU T 15 68.818 -4.648 -17.431 1.00 0.00 O ATOM 230 OE2 GLU T 15 68.352 -6.663 -16.829 1.00 0.00 O ATOM 0 H GLU T 15 71.500 -7.201 -14.053 1.00 0.00 H new ATOM 0 HA GLU T 15 73.122 -5.738 -15.993 1.00 0.00 H new ATOM 0 HB2 GLU T 15 70.374 -5.338 -14.722 1.00 0.00 H new ATOM 0 HB3 GLU T 15 71.096 -4.146 -15.785 1.00 0.00 H new ATOM 0 HG2 GLU T 15 71.209 -5.740 -17.634 1.00 0.00 H new ATOM 0 HG3 GLU T 15 70.782 -7.078 -16.585 1.00 0.00 H new ATOM 237 N GLN T 16 72.467 -4.567 -12.959 1.00 0.00 N ATOM 238 CA GLN T 16 72.944 -3.629 -11.949 1.00 0.00 C ATOM 239 C GLN T 16 74.275 -4.088 -11.358 1.00 0.00 C ATOM 240 O GLN T 16 74.938 -3.334 -10.648 1.00 0.00 O ATOM 241 CB GLN T 16 71.901 -3.484 -10.834 1.00 0.00 C ATOM 242 CG GLN T 16 71.678 -4.836 -10.143 1.00 0.00 C ATOM 243 CD GLN T 16 72.780 -5.096 -9.120 1.00 0.00 C ATOM 244 OE1 GLN T 16 73.757 -5.781 -9.419 1.00 0.00 O ATOM 245 NE2 GLN T 16 72.679 -4.585 -7.922 1.00 0.00 N ATOM 0 H GLN T 16 71.656 -5.119 -12.679 1.00 0.00 H new ATOM 0 HA GLN T 16 73.098 -2.663 -12.429 1.00 0.00 H new ATOM 0 HB2 GLN T 16 72.236 -2.745 -10.106 1.00 0.00 H new ATOM 0 HB3 GLN T 16 70.961 -3.119 -11.249 1.00 0.00 H new ATOM 0 HG2 GLN T 16 70.706 -4.844 -9.650 1.00 0.00 H new ATOM 0 HG3 GLN T 16 71.666 -5.634 -10.885 1.00 0.00 H new ATOM 0 HE21 GLN T 16 71.868 -4.017 -7.676 1.00 0.00 H new ATOM 0 HE22 GLN T 16 73.411 -4.754 -7.232 1.00 0.00 H new ATOM 254 N LYS T 17 74.662 -5.324 -11.656 1.00 0.00 N ATOM 255 CA LYS T 17 75.921 -5.860 -11.146 1.00 0.00 C ATOM 256 C LYS T 17 77.103 -5.245 -11.891 1.00 0.00 C ATOM 257 O LYS T 17 78.151 -4.984 -11.301 1.00 0.00 O ATOM 258 CB LYS T 17 75.952 -7.383 -11.307 1.00 0.00 C ATOM 259 CG LYS T 17 75.006 -8.034 -10.293 1.00 0.00 C ATOM 260 CD LYS T 17 75.230 -9.549 -10.289 1.00 0.00 C ATOM 261 CE LYS T 17 74.076 -10.234 -9.554 1.00 0.00 C ATOM 262 NZ LYS T 17 74.403 -11.673 -9.351 1.00 0.00 N ATOM 0 H LYS T 17 74.130 -5.968 -12.241 1.00 0.00 H new ATOM 0 HA LYS T 17 75.997 -5.608 -10.088 1.00 0.00 H new ATOM 0 HB2 LYS T 17 75.657 -7.656 -12.320 1.00 0.00 H new ATOM 0 HB3 LYS T 17 76.967 -7.752 -11.160 1.00 0.00 H new ATOM 0 HG2 LYS T 17 75.185 -7.626 -9.298 1.00 0.00 H new ATOM 0 HG3 LYS T 17 73.971 -7.809 -10.548 1.00 0.00 H new ATOM 0 HD2 LYS T 17 75.295 -9.920 -11.312 1.00 0.00 H new ATOM 0 HD3 LYS T 17 76.176 -9.786 -9.803 1.00 0.00 H new ATOM 0 HE2 LYS T 17 73.904 -9.750 -8.593 1.00 0.00 H new ATOM 0 HE3 LYS T 17 73.155 -10.137 -10.129 1.00 0.00 H new ATOM 0 HZ1 LYS T 17 73.619 -12.140 -8.851 1.00 0.00 H new ATOM 0 HZ2 LYS T 17 74.546 -12.130 -10.274 1.00 0.00 H new ATOM 0 HZ3 LYS T 17 75.272 -11.755 -8.785 1.00 0.00 H new ATOM 276 N ASN T 18 76.926 -5.018 -13.188 1.00 0.00 N ATOM 277 CA ASN T 18 77.987 -4.434 -14.002 1.00 0.00 C ATOM 278 C ASN T 18 78.199 -2.969 -13.635 1.00 0.00 C ATOM 279 O ASN T 18 79.244 -2.389 -13.933 1.00 0.00 O ATOM 280 CB ASN T 18 77.628 -4.544 -15.485 1.00 0.00 C ATOM 281 CG ASN T 18 77.614 -6.008 -15.911 1.00 0.00 C ATOM 282 OD1 ASN T 18 76.836 -6.850 -15.289 1.00 0.00 O flip ATOM 283 ND2 ASN T 18 78.330 -6.394 -16.835 1.00 0.00 N flip ATOM 0 H ASN T 18 76.066 -5.227 -13.695 1.00 0.00 H new ATOM 0 HA ASN T 18 78.910 -4.982 -13.810 1.00 0.00 H new ATOM 0 HB2 ASN T 18 76.651 -4.095 -15.665 1.00 0.00 H new ATOM 0 HB3 ASN T 18 78.350 -3.989 -16.084 1.00 0.00 H new ATOM 0 HD21 ASN T 18 78.937 -5.733 -17.320 1.00 0.00 H new ATOM 0 HD22 ASN T 18 78.316 -7.374 -17.116 1.00 0.00 H new ATOM 290 N GLU T 19 77.203 -2.376 -12.986 1.00 0.00 N ATOM 291 CA GLU T 19 77.292 -0.978 -12.582 1.00 0.00 C ATOM 292 C GLU T 19 78.286 -0.811 -11.438 1.00 0.00 C ATOM 293 O GLU T 19 79.017 0.179 -11.377 1.00 0.00 O ATOM 294 CB GLU T 19 75.916 -0.473 -12.142 1.00 0.00 C ATOM 295 CG GLU T 19 75.004 -0.342 -13.365 1.00 0.00 C ATOM 296 CD GLU T 19 75.407 0.878 -14.187 1.00 0.00 C ATOM 297 OE1 GLU T 19 75.802 1.865 -13.591 1.00 0.00 O ATOM 298 OE2 GLU T 19 75.312 0.806 -15.401 1.00 0.00 O ATOM 0 H GLU T 19 76.330 -2.838 -12.730 1.00 0.00 H new ATOM 0 HA GLU T 19 77.638 -0.395 -13.436 1.00 0.00 H new ATOM 0 HB2 GLU T 19 75.478 -1.163 -11.421 1.00 0.00 H new ATOM 0 HB3 GLU T 19 76.013 0.491 -11.643 1.00 0.00 H new ATOM 0 HG2 GLU T 19 75.071 -1.242 -13.977 1.00 0.00 H new ATOM 0 HG3 GLU T 19 73.966 -0.250 -13.047 1.00 0.00 H new ATOM 305 N PHE T 20 78.309 -1.784 -10.532 1.00 0.00 N ATOM 306 CA PHE T 20 79.219 -1.732 -9.394 1.00 0.00 C ATOM 307 C PHE T 20 80.636 -2.099 -9.821 1.00 0.00 C ATOM 308 O PHE T 20 81.569 -1.314 -9.652 1.00 0.00 O ATOM 309 CB PHE T 20 78.747 -2.694 -8.301 1.00 0.00 C ATOM 310 CG PHE T 20 77.485 -2.155 -7.668 1.00 0.00 C ATOM 311 CD1 PHE T 20 77.556 -1.081 -6.773 1.00 0.00 C ATOM 312 CD2 PHE T 20 76.245 -2.729 -7.974 1.00 0.00 C ATOM 313 CE1 PHE T 20 76.388 -0.579 -6.187 1.00 0.00 C ATOM 314 CE2 PHE T 20 75.077 -2.228 -7.387 1.00 0.00 C ATOM 315 CZ PHE T 20 75.149 -1.153 -6.494 1.00 0.00 C ATOM 0 H PHE T 20 77.713 -2.611 -10.563 1.00 0.00 H new ATOM 0 HA PHE T 20 79.223 -0.714 -9.004 1.00 0.00 H new ATOM 0 HB2 PHE T 20 78.561 -3.681 -8.725 1.00 0.00 H new ATOM 0 HB3 PHE T 20 79.524 -2.813 -7.546 1.00 0.00 H new ATOM 0 HD1 PHE T 20 78.512 -0.639 -6.534 1.00 0.00 H new ATOM 0 HD2 PHE T 20 76.190 -3.559 -8.663 1.00 0.00 H new ATOM 0 HE1 PHE T 20 76.443 0.251 -5.498 1.00 0.00 H new ATOM 0 HE2 PHE T 20 74.121 -2.671 -7.623 1.00 0.00 H new ATOM 0 HZ PHE T 20 74.248 -0.766 -6.041 1.00 0.00 H new ATOM 325 N LYS T 21 80.792 -3.298 -10.374 1.00 0.00 N ATOM 326 CA LYS T 21 82.103 -3.762 -10.821 1.00 0.00 C ATOM 327 C LYS T 21 82.838 -2.656 -11.572 1.00 0.00 C ATOM 328 O LYS T 21 84.064 -2.680 -11.685 1.00 0.00 O ATOM 329 CB LYS T 21 81.943 -4.982 -11.731 1.00 0.00 C ATOM 330 CG LYS T 21 81.306 -6.129 -10.942 1.00 0.00 C ATOM 331 CD LYS T 21 81.482 -7.441 -11.710 1.00 0.00 C ATOM 332 CE LYS T 21 80.709 -7.374 -13.029 1.00 0.00 C ATOM 333 NZ LYS T 21 80.558 -8.749 -13.586 1.00 0.00 N ATOM 0 H LYS T 21 80.033 -3.963 -10.523 1.00 0.00 H new ATOM 0 HA LYS T 21 82.688 -4.038 -9.943 1.00 0.00 H new ATOM 0 HB2 LYS T 21 81.322 -4.729 -12.590 1.00 0.00 H new ATOM 0 HB3 LYS T 21 82.914 -5.289 -12.119 1.00 0.00 H new ATOM 0 HG2 LYS T 21 81.768 -6.207 -9.958 1.00 0.00 H new ATOM 0 HG3 LYS T 21 80.247 -5.929 -10.782 1.00 0.00 H new ATOM 0 HD2 LYS T 21 82.539 -7.620 -11.906 1.00 0.00 H new ATOM 0 HD3 LYS T 21 81.123 -8.276 -11.109 1.00 0.00 H new ATOM 0 HE2 LYS T 21 79.729 -6.926 -12.866 1.00 0.00 H new ATOM 0 HE3 LYS T 21 81.236 -6.738 -13.740 1.00 0.00 H new ATOM 0 HZ1 LYS T 21 80.033 -8.705 -14.483 1.00 0.00 H new ATOM 0 HZ2 LYS T 21 81.498 -9.160 -13.756 1.00 0.00 H new ATOM 0 HZ3 LYS T 21 80.038 -9.343 -12.909 1.00 0.00 H new ATOM 347 N ALA T 22 82.084 -1.688 -12.082 1.00 0.00 N ATOM 348 CA ALA T 22 82.679 -0.579 -12.817 1.00 0.00 C ATOM 349 C ALA T 22 83.342 0.400 -11.855 1.00 0.00 C ATOM 350 O ALA T 22 84.391 0.970 -12.158 1.00 0.00 O ATOM 351 CB ALA T 22 81.604 0.149 -13.627 1.00 0.00 C ATOM 0 H ALA T 22 81.068 -1.649 -12.001 1.00 0.00 H new ATOM 0 HA ALA T 22 83.434 -0.978 -13.494 1.00 0.00 H new ATOM 0 HB1 ALA T 22 82.058 0.976 -14.173 1.00 0.00 H new ATOM 0 HB2 ALA T 22 81.148 -0.545 -14.333 1.00 0.00 H new ATOM 0 HB3 ALA T 22 80.840 0.535 -12.953 1.00 0.00 H new ATOM 357 N ALA T 23 82.727 0.587 -10.693 1.00 0.00 N ATOM 358 CA ALA T 23 83.268 1.497 -9.690 1.00 0.00 C ATOM 359 C ALA T 23 84.576 0.950 -9.126 1.00 0.00 C ATOM 360 O ALA T 23 85.534 1.695 -8.917 1.00 0.00 O ATOM 361 CB ALA T 23 82.256 1.689 -8.558 1.00 0.00 C ATOM 0 H ALA T 23 81.859 0.124 -10.423 1.00 0.00 H new ATOM 0 HA ALA T 23 83.464 2.459 -10.163 1.00 0.00 H new ATOM 0 HB1 ALA T 23 82.668 2.370 -7.813 1.00 0.00 H new ATOM 0 HB2 ALA T 23 81.334 2.107 -8.961 1.00 0.00 H new ATOM 0 HB3 ALA T 23 82.044 0.727 -8.092 1.00 0.00 H new ATOM 367 N PHE T 24 84.612 -0.358 -8.886 1.00 0.00 N ATOM 368 CA PHE T 24 85.810 -0.994 -8.351 1.00 0.00 C ATOM 369 C PHE T 24 87.033 -0.591 -9.172 1.00 0.00 C ATOM 370 O PHE T 24 88.004 -0.057 -8.637 1.00 0.00 O ATOM 371 CB PHE T 24 85.650 -2.523 -8.377 1.00 0.00 C ATOM 372 CG PHE T 24 84.804 -2.974 -7.205 1.00 0.00 C ATOM 373 CD1 PHE T 24 83.449 -2.628 -7.145 1.00 0.00 C ATOM 374 CD2 PHE T 24 85.375 -3.739 -6.177 1.00 0.00 C ATOM 375 CE1 PHE T 24 82.665 -3.045 -6.062 1.00 0.00 C ATOM 376 CE2 PHE T 24 84.591 -4.156 -5.096 1.00 0.00 C ATOM 377 CZ PHE T 24 83.237 -3.809 -5.038 1.00 0.00 C ATOM 0 H PHE T 24 83.831 -0.993 -9.052 1.00 0.00 H new ATOM 0 HA PHE T 24 85.950 -0.665 -7.321 1.00 0.00 H new ATOM 0 HB2 PHE T 24 85.185 -2.833 -9.313 1.00 0.00 H new ATOM 0 HB3 PHE T 24 86.629 -3.000 -8.335 1.00 0.00 H new ATOM 0 HD1 PHE T 24 83.007 -2.039 -7.935 1.00 0.00 H new ATOM 0 HD2 PHE T 24 86.421 -4.006 -6.220 1.00 0.00 H new ATOM 0 HE1 PHE T 24 81.620 -2.777 -6.017 1.00 0.00 H new ATOM 0 HE2 PHE T 24 85.031 -4.746 -4.306 1.00 0.00 H new ATOM 0 HZ PHE T 24 82.633 -4.131 -4.203 1.00 0.00 H new ATOM 387 N ASP T 25 86.978 -0.854 -10.475 1.00 0.00 N ATOM 388 CA ASP T 25 88.086 -0.518 -11.365 1.00 0.00 C ATOM 389 C ASP T 25 88.654 0.858 -11.031 1.00 0.00 C ATOM 390 O ASP T 25 89.850 1.101 -11.188 1.00 0.00 O ATOM 391 CB ASP T 25 87.612 -0.536 -12.818 1.00 0.00 C ATOM 392 CG ASP T 25 86.957 -1.877 -13.137 1.00 0.00 C ATOM 393 OD1 ASP T 25 87.607 -2.891 -12.946 1.00 0.00 O ATOM 394 OD2 ASP T 25 85.816 -1.869 -13.567 1.00 0.00 O ATOM 0 H ASP T 25 86.183 -1.296 -10.936 1.00 0.00 H new ATOM 0 HA ASP T 25 88.871 -1.262 -11.227 1.00 0.00 H new ATOM 0 HB2 ASP T 25 86.903 0.274 -12.988 1.00 0.00 H new ATOM 0 HB3 ASP T 25 88.456 -0.366 -13.487 1.00 0.00 H new ATOM 399 N ILE T 26 87.789 1.755 -10.569 1.00 0.00 N ATOM 400 CA ILE T 26 88.218 3.104 -10.217 1.00 0.00 C ATOM 401 C ILE T 26 88.981 3.099 -8.895 1.00 0.00 C ATOM 402 O ILE T 26 90.105 3.593 -8.814 1.00 0.00 O ATOM 403 CB ILE T 26 87.000 4.027 -10.102 1.00 0.00 C ATOM 404 CG1 ILE T 26 86.038 3.763 -11.268 1.00 0.00 C ATOM 405 CG2 ILE T 26 87.455 5.488 -10.135 1.00 0.00 C ATOM 406 CD1 ILE T 26 86.798 3.812 -12.597 1.00 0.00 C ATOM 0 H ILE T 26 86.795 1.575 -10.430 1.00 0.00 H new ATOM 0 HA ILE T 26 88.879 3.470 -11.003 1.00 0.00 H new ATOM 0 HB ILE T 26 86.488 3.829 -9.160 1.00 0.00 H new ATOM 0 HG12 ILE T 26 85.565 2.789 -11.146 1.00 0.00 H new ATOM 0 HG13 ILE T 26 85.241 4.507 -11.268 1.00 0.00 H new ATOM 0 HG21 ILE T 26 86.586 6.142 -10.053 1.00 0.00 H new ATOM 0 HG22 ILE T 26 88.132 5.677 -9.302 1.00 0.00 H new ATOM 0 HG23 ILE T 26 87.972 5.687 -11.074 1.00 0.00 H new ATOM 0 HD11 ILE T 26 86.107 3.623 -13.419 1.00 0.00 H new ATOM 0 HD12 ILE T 26 87.250 4.796 -12.722 1.00 0.00 H new ATOM 0 HD13 ILE T 26 87.579 3.051 -12.598 1.00 0.00 H new ATOM 418 N PHE T 27 88.360 2.540 -7.860 1.00 0.00 N ATOM 419 CA PHE T 27 88.990 2.479 -6.546 1.00 0.00 C ATOM 420 C PHE T 27 90.341 1.772 -6.624 1.00 0.00 C ATOM 421 O PHE T 27 91.139 1.837 -5.690 1.00 0.00 O ATOM 422 CB PHE T 27 88.080 1.734 -5.566 1.00 0.00 C ATOM 423 CG PHE T 27 86.892 2.598 -5.214 1.00 0.00 C ATOM 424 CD1 PHE T 27 87.027 3.621 -4.266 1.00 0.00 C ATOM 425 CD2 PHE T 27 85.656 2.378 -5.832 1.00 0.00 C ATOM 426 CE1 PHE T 27 85.927 4.421 -3.939 1.00 0.00 C ATOM 427 CE2 PHE T 27 84.555 3.178 -5.504 1.00 0.00 C ATOM 428 CZ PHE T 27 84.691 4.200 -4.557 1.00 0.00 C ATOM 0 H PHE T 27 87.429 2.126 -7.905 1.00 0.00 H new ATOM 0 HA PHE T 27 89.149 3.499 -6.196 1.00 0.00 H new ATOM 0 HB2 PHE T 27 87.742 0.798 -6.010 1.00 0.00 H new ATOM 0 HB3 PHE T 27 88.635 1.477 -4.664 1.00 0.00 H new ATOM 0 HD1 PHE T 27 87.980 3.792 -3.788 1.00 0.00 H new ATOM 0 HD2 PHE T 27 85.551 1.590 -6.563 1.00 0.00 H new ATOM 0 HE1 PHE T 27 86.032 5.210 -3.209 1.00 0.00 H new ATOM 0 HE2 PHE T 27 83.601 3.007 -5.981 1.00 0.00 H new ATOM 0 HZ PHE T 27 83.842 4.818 -4.303 1.00 0.00 H new ATOM 438 N VAL T 28 90.590 1.094 -7.743 1.00 0.00 N ATOM 439 CA VAL T 28 91.849 0.374 -7.934 1.00 0.00 C ATOM 440 C VAL T 28 92.224 0.339 -9.413 1.00 0.00 C ATOM 441 O VAL T 28 92.410 -0.731 -9.991 1.00 0.00 O ATOM 442 CB VAL T 28 91.718 -1.058 -7.405 1.00 0.00 C ATOM 443 CG1 VAL T 28 91.718 -1.045 -5.874 1.00 0.00 C ATOM 444 CG2 VAL T 28 90.406 -1.669 -7.907 1.00 0.00 C ATOM 0 H VAL T 28 89.941 1.028 -8.527 1.00 0.00 H new ATOM 0 HA VAL T 28 92.632 0.894 -7.383 1.00 0.00 H new ATOM 0 HB VAL T 28 92.559 -1.652 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL T 28 91.625 -2.065 -5.501 1.00 0.00 H new ATOM 0 HG12 VAL T 28 92.651 -0.611 -5.514 1.00 0.00 H new ATOM 0 HG13 VAL T 28 90.879 -0.450 -5.515 1.00 0.00 H new ATOM 0 HG21 VAL T 28 90.312 -2.688 -7.531 1.00 0.00 H new ATOM 0 HG22 VAL T 28 89.567 -1.072 -7.551 1.00 0.00 H new ATOM 0 HG23 VAL T 28 90.405 -1.683 -8.997 1.00 0.00 H new ATOM 454 N LEU T 29 92.330 1.519 -10.019 1.00 0.00 N ATOM 455 CA LEU T 29 92.680 1.616 -11.435 1.00 0.00 C ATOM 456 C LEU T 29 94.189 1.509 -11.631 1.00 0.00 C ATOM 457 O LEU T 29 94.716 1.899 -12.673 1.00 0.00 O ATOM 458 CB LEU T 29 92.169 2.943 -12.019 1.00 0.00 C ATOM 459 CG LEU T 29 92.684 4.153 -11.187 1.00 0.00 C ATOM 460 CD1 LEU T 29 93.982 4.717 -11.787 1.00 0.00 C ATOM 461 CD2 LEU T 29 91.629 5.266 -11.180 1.00 0.00 C ATOM 0 H LEU T 29 92.180 2.416 -9.556 1.00 0.00 H new ATOM 0 HA LEU T 29 92.204 0.788 -11.960 1.00 0.00 H new ATOM 0 HB2 LEU T 29 92.500 3.041 -13.053 1.00 0.00 H new ATOM 0 HB3 LEU T 29 91.079 2.943 -12.032 1.00 0.00 H new ATOM 0 HG LEU T 29 92.876 3.806 -10.172 1.00 0.00 H new ATOM 0 HD11 LEU T 29 94.323 5.562 -11.188 1.00 0.00 H new ATOM 0 HD12 LEU T 29 94.748 3.942 -11.790 1.00 0.00 H new ATOM 0 HD13 LEU T 29 93.797 5.048 -12.809 1.00 0.00 H new ATOM 0 HD21 LEU T 29 91.995 6.111 -10.596 1.00 0.00 H new ATOM 0 HD22 LEU T 29 91.434 5.589 -12.203 1.00 0.00 H new ATOM 0 HD23 LEU T 29 90.707 4.891 -10.736 1.00 0.00 H new ATOM 473 N GLY T 30 94.881 0.982 -10.626 1.00 0.00 N ATOM 474 CA GLY T 30 96.330 0.836 -10.710 1.00 0.00 C ATOM 475 C GLY T 30 96.847 -0.152 -9.668 1.00 0.00 C ATOM 476 O GLY T 30 97.876 -0.797 -9.868 1.00 0.00 O ATOM 0 H GLY T 30 94.468 0.652 -9.754 1.00 0.00 H new ATOM 0 HA2 GLY T 30 96.606 0.494 -11.707 1.00 0.00 H new ATOM 0 HA3 GLY T 30 96.805 1.806 -10.562 1.00 0.00 H new ATOM 480 N ALA T 31 96.129 -0.264 -8.555 1.00 0.00 N ATOM 481 CA ALA T 31 96.530 -1.177 -7.491 1.00 0.00 C ATOM 482 C ALA T 31 96.707 -2.592 -8.035 1.00 0.00 C ATOM 483 O ALA T 31 95.930 -3.047 -8.875 1.00 0.00 O ATOM 484 CB ALA T 31 95.478 -1.181 -6.380 1.00 0.00 C ATOM 0 H ALA T 31 95.275 0.261 -8.367 1.00 0.00 H new ATOM 0 HA ALA T 31 97.483 -0.835 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA T 31 95.786 -1.866 -5.590 1.00 0.00 H new ATOM 0 HB2 ALA T 31 95.377 -0.176 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA T 31 94.520 -1.504 -6.787 1.00 0.00 H new ATOM 490 N GLU T 32 97.733 -3.283 -7.549 1.00 0.00 N ATOM 491 CA GLU T 32 98.003 -4.646 -7.994 1.00 0.00 C ATOM 492 C GLU T 32 96.727 -5.481 -7.965 1.00 0.00 C ATOM 493 O GLU T 32 95.973 -5.514 -8.938 1.00 0.00 O ATOM 494 CB GLU T 32 99.057 -5.291 -7.092 1.00 0.00 C ATOM 495 CG GLU T 32 100.425 -4.666 -7.377 1.00 0.00 C ATOM 496 CD GLU T 32 101.486 -5.313 -6.495 1.00 0.00 C ATOM 497 OE1 GLU T 32 101.269 -5.386 -5.296 1.00 0.00 O ATOM 498 OE2 GLU T 32 102.503 -5.726 -7.029 1.00 0.00 O ATOM 0 H GLU T 32 98.387 -2.925 -6.852 1.00 0.00 H new ATOM 0 HA GLU T 32 98.376 -4.607 -9.018 1.00 0.00 H new ATOM 0 HB2 GLU T 32 98.791 -5.148 -6.045 1.00 0.00 H new ATOM 0 HB3 GLU T 32 99.093 -6.366 -7.268 1.00 0.00 H new ATOM 0 HG2 GLU T 32 100.683 -4.799 -8.428 1.00 0.00 H new ATOM 0 HG3 GLU T 32 100.390 -3.593 -7.190 1.00 0.00 H new ATOM 505 N ASP T 33 96.492 -6.155 -6.844 1.00 0.00 N ATOM 506 CA ASP T 33 95.304 -6.987 -6.699 1.00 0.00 C ATOM 507 C ASP T 33 94.043 -6.170 -6.964 1.00 0.00 C ATOM 508 O ASP T 33 93.700 -5.895 -8.113 1.00 0.00 O ATOM 509 CB ASP T 33 95.251 -7.578 -5.288 1.00 0.00 C ATOM 510 CG ASP T 33 95.558 -6.496 -4.258 1.00 0.00 C ATOM 511 OD1 ASP T 33 95.591 -5.338 -4.637 1.00 0.00 O ATOM 512 OD2 ASP T 33 95.757 -6.843 -3.105 1.00 0.00 O ATOM 0 H ASP T 33 97.104 -6.142 -6.028 1.00 0.00 H new ATOM 0 HA ASP T 33 95.356 -7.796 -7.428 1.00 0.00 H new ATOM 0 HB2 ASP T 33 94.265 -8.002 -5.099 1.00 0.00 H new ATOM 0 HB3 ASP T 33 95.971 -8.392 -5.198 1.00 0.00 H new ATOM 517 N GLY T 34 93.356 -5.786 -5.892 1.00 0.00 N ATOM 518 CA GLY T 34 92.134 -5.001 -6.024 1.00 0.00 C ATOM 519 C GLY T 34 91.584 -4.616 -4.654 1.00 0.00 C ATOM 520 O GLY T 34 90.393 -4.338 -4.510 1.00 0.00 O ATOM 0 H GLY T 34 93.622 -6.003 -4.931 1.00 0.00 H new ATOM 0 HA2 GLY T 34 92.336 -4.101 -6.605 1.00 0.00 H new ATOM 0 HA3 GLY T 34 91.386 -5.574 -6.573 1.00 0.00 H new ATOM 524 N SER T 35 92.457 -4.602 -3.653 1.00 0.00 N ATOM 525 CA SER T 35 92.047 -4.248 -2.297 1.00 0.00 C ATOM 526 C SER T 35 91.960 -2.734 -2.144 1.00 0.00 C ATOM 527 O SER T 35 92.918 -2.015 -2.429 1.00 0.00 O ATOM 528 CB SER T 35 93.047 -4.808 -1.284 1.00 0.00 C ATOM 529 OG SER T 35 94.348 -4.324 -1.593 1.00 0.00 O ATOM 0 H SER T 35 93.446 -4.830 -3.752 1.00 0.00 H new ATOM 0 HA SER T 35 91.063 -4.679 -2.111 1.00 0.00 H new ATOM 0 HB2 SER T 35 92.765 -4.509 -0.274 1.00 0.00 H new ATOM 0 HB3 SER T 35 93.036 -5.898 -1.309 1.00 0.00 H new ATOM 0 HG SER T 35 94.279 -3.432 -1.993 1.00 0.00 H new ATOM 535 N ILE T 36 90.803 -2.256 -1.695 1.00 0.00 N ATOM 536 CA ILE T 36 90.592 -0.823 -1.508 1.00 0.00 C ATOM 537 C ILE T 36 91.023 -0.393 -0.110 1.00 0.00 C ATOM 538 O ILE T 36 91.004 -1.189 0.829 1.00 0.00 O ATOM 539 CB ILE T 36 89.113 -0.485 -1.714 1.00 0.00 C ATOM 540 CG1 ILE T 36 88.632 -1.091 -3.039 1.00 0.00 C ATOM 541 CG2 ILE T 36 88.943 1.037 -1.752 1.00 0.00 C ATOM 542 CD1 ILE T 36 87.129 -0.856 -3.197 1.00 0.00 C ATOM 0 H ILE T 36 90.000 -2.837 -1.455 1.00 0.00 H new ATOM 0 HA ILE T 36 91.195 -0.287 -2.241 1.00 0.00 H new ATOM 0 HB ILE T 36 88.524 -0.896 -0.894 1.00 0.00 H new ATOM 0 HG12 ILE T 36 89.170 -0.640 -3.873 1.00 0.00 H new ATOM 0 HG13 ILE T 36 88.847 -2.159 -3.061 1.00 0.00 H new ATOM 0 HG21 ILE T 36 87.891 1.282 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE T 36 89.288 1.465 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE T 36 89.529 1.448 -2.574 1.00 0.00 H new ATOM 0 HD11 ILE T 36 86.790 -1.287 -4.139 1.00 0.00 H new ATOM 0 HD12 ILE T 36 86.598 -1.328 -2.370 1.00 0.00 H new ATOM 0 HD13 ILE T 36 86.926 0.215 -3.195 1.00 0.00 H new ATOM 554 N SER T 37 91.412 0.873 0.020 1.00 0.00 N ATOM 555 CA SER T 37 91.847 1.405 1.307 1.00 0.00 C ATOM 556 C SER T 37 91.692 2.921 1.338 1.00 0.00 C ATOM 557 O SER T 37 91.513 3.558 0.300 1.00 0.00 O ATOM 558 CB SER T 37 93.309 1.034 1.558 1.00 0.00 C ATOM 559 OG SER T 37 93.637 1.310 2.914 1.00 0.00 O ATOM 0 H SER T 37 91.435 1.546 -0.746 1.00 0.00 H new ATOM 0 HA SER T 37 91.224 0.971 2.089 1.00 0.00 H new ATOM 0 HB2 SER T 37 93.471 -0.022 1.340 1.00 0.00 H new ATOM 0 HB3 SER T 37 93.960 1.600 0.892 1.00 0.00 H new ATOM 0 HG SER T 37 94.573 1.072 3.079 1.00 0.00 H new ATOM 565 N THR T 38 91.761 3.495 2.535 1.00 0.00 N ATOM 566 CA THR T 38 91.625 4.939 2.690 1.00 0.00 C ATOM 567 C THR T 38 92.552 5.677 1.728 1.00 0.00 C ATOM 568 O THR T 38 92.457 6.895 1.573 1.00 0.00 O ATOM 569 CB THR T 38 91.956 5.342 4.129 1.00 0.00 C ATOM 570 OG1 THR T 38 93.343 5.145 4.367 1.00 0.00 O ATOM 571 CG2 THR T 38 91.143 4.486 5.100 1.00 0.00 C ATOM 0 H THR T 38 91.909 2.986 3.407 1.00 0.00 H new ATOM 0 HA THR T 38 90.595 5.212 2.461 1.00 0.00 H new ATOM 0 HB THR T 38 91.707 6.393 4.279 1.00 0.00 H new ATOM 0 HG1 THR T 38 93.557 5.404 5.288 1.00 0.00 H new ATOM 0 HG21 THR T 38 91.379 4.774 6.124 1.00 0.00 H new ATOM 0 HG22 THR T 38 90.079 4.638 4.917 1.00 0.00 H new ATOM 0 HG23 THR T 38 91.390 3.435 4.952 1.00 0.00 H new ATOM 579 N LYS T 39 93.447 4.934 1.086 1.00 0.00 N ATOM 580 CA LYS T 39 94.386 5.534 0.143 1.00 0.00 C ATOM 581 C LYS T 39 93.699 5.829 -1.187 1.00 0.00 C ATOM 582 O LYS T 39 93.702 6.967 -1.658 1.00 0.00 O ATOM 583 CB LYS T 39 95.567 4.590 -0.088 1.00 0.00 C ATOM 584 CG LYS T 39 96.420 4.514 1.180 1.00 0.00 C ATOM 585 CD LYS T 39 97.690 3.711 0.897 1.00 0.00 C ATOM 586 CE LYS T 39 98.637 3.812 2.094 1.00 0.00 C ATOM 587 NZ LYS T 39 99.958 3.222 1.734 1.00 0.00 N ATOM 0 H LYS T 39 93.543 3.925 1.199 1.00 0.00 H new ATOM 0 HA LYS T 39 94.747 6.471 0.566 1.00 0.00 H new ATOM 0 HB2 LYS T 39 95.205 3.597 -0.355 1.00 0.00 H new ATOM 0 HB3 LYS T 39 96.171 4.944 -0.924 1.00 0.00 H new ATOM 0 HG2 LYS T 39 96.680 5.518 1.516 1.00 0.00 H new ATOM 0 HG3 LYS T 39 95.853 4.045 1.984 1.00 0.00 H new ATOM 0 HD2 LYS T 39 97.438 2.668 0.707 1.00 0.00 H new ATOM 0 HD3 LYS T 39 98.180 4.090 -0.000 1.00 0.00 H new ATOM 0 HE2 LYS T 39 98.760 4.855 2.387 1.00 0.00 H new ATOM 0 HE3 LYS T 39 98.214 3.288 2.951 1.00 0.00 H new ATOM 0 HZ1 LYS T 39 100.602 3.291 2.548 1.00 0.00 H new ATOM 0 HZ2 LYS T 39 99.833 2.223 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS T 39 100.362 3.741 0.928 1.00 0.00 H new ATOM 601 N GLU T 40 93.116 4.797 -1.793 1.00 0.00 N ATOM 602 CA GLU T 40 92.430 4.955 -3.075 1.00 0.00 C ATOM 603 C GLU T 40 90.980 5.382 -2.864 1.00 0.00 C ATOM 604 O GLU T 40 90.250 5.623 -3.825 1.00 0.00 O ATOM 605 CB GLU T 40 92.463 3.636 -3.848 1.00 0.00 C ATOM 606 CG GLU T 40 93.890 3.085 -3.860 1.00 0.00 C ATOM 607 CD GLU T 40 94.826 4.076 -4.543 1.00 0.00 C ATOM 608 OE1 GLU T 40 94.581 4.396 -5.694 1.00 0.00 O ATOM 609 OE2 GLU T 40 95.776 4.500 -3.906 1.00 0.00 O ATOM 0 H GLU T 40 93.104 3.848 -1.420 1.00 0.00 H new ATOM 0 HA GLU T 40 92.944 5.728 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU T 40 91.788 2.915 -3.387 1.00 0.00 H new ATOM 0 HB3 GLU T 40 92.114 3.792 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU T 40 94.225 2.899 -2.840 1.00 0.00 H new ATOM 0 HG3 GLU T 40 93.915 2.129 -4.383 1.00 0.00 H new ATOM 616 N LEU T 41 90.569 5.472 -1.604 1.00 0.00 N ATOM 617 CA LEU T 41 89.202 5.869 -1.284 1.00 0.00 C ATOM 618 C LEU T 41 88.995 7.354 -1.582 1.00 0.00 C ATOM 619 O LEU T 41 88.201 7.719 -2.449 1.00 0.00 O ATOM 620 CB LEU T 41 88.914 5.578 0.201 1.00 0.00 C ATOM 621 CG LEU T 41 87.407 5.346 0.441 1.00 0.00 C ATOM 622 CD1 LEU T 41 86.598 6.502 -0.160 1.00 0.00 C ATOM 623 CD2 LEU T 41 86.952 4.010 -0.184 1.00 0.00 C ATOM 0 H LEU T 41 91.157 5.277 -0.793 1.00 0.00 H new ATOM 0 HA LEU T 41 88.511 5.295 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU T 41 89.475 4.699 0.518 1.00 0.00 H new ATOM 0 HB3 LEU T 41 89.258 6.413 0.812 1.00 0.00 H new ATOM 0 HG LEU T 41 87.233 5.302 1.516 1.00 0.00 H new ATOM 0 HD11 LEU T 41 85.535 6.331 0.013 1.00 0.00 H new ATOM 0 HD12 LEU T 41 86.897 7.439 0.311 1.00 0.00 H new ATOM 0 HD13 LEU T 41 86.786 6.559 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU T 41 85.887 3.868 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU T 41 87.138 4.029 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU T 41 87.510 3.189 0.266 1.00 0.00 H new ATOM 635 N GLY T 42 89.712 8.203 -0.853 1.00 0.00 N ATOM 636 CA GLY T 42 89.599 9.646 -1.041 1.00 0.00 C ATOM 637 C GLY T 42 89.580 10.011 -2.521 1.00 0.00 C ATOM 638 O GLY T 42 88.844 10.904 -2.940 1.00 0.00 O ATOM 0 H GLY T 42 90.374 7.920 -0.131 1.00 0.00 H new ATOM 0 HA2 GLY T 42 88.688 10.007 -0.563 1.00 0.00 H new ATOM 0 HA3 GLY T 42 90.435 10.145 -0.552 1.00 0.00 H new ATOM 642 N LYS T 43 90.397 9.320 -3.310 1.00 0.00 N ATOM 643 CA LYS T 43 90.463 9.588 -4.743 1.00 0.00 C ATOM 644 C LYS T 43 89.062 9.689 -5.338 1.00 0.00 C ATOM 645 O LYS T 43 88.599 10.778 -5.677 1.00 0.00 O ATOM 646 CB LYS T 43 91.241 8.475 -5.448 1.00 0.00 C ATOM 647 CG LYS T 43 92.696 8.488 -4.977 1.00 0.00 C ATOM 648 CD LYS T 43 93.538 7.595 -5.891 1.00 0.00 C ATOM 649 CE LYS T 43 95.003 7.656 -5.458 1.00 0.00 C ATOM 650 NZ LYS T 43 95.845 6.924 -6.446 1.00 0.00 N ATOM 0 H LYS T 43 91.017 8.578 -2.986 1.00 0.00 H new ATOM 0 HA LYS T 43 90.975 10.539 -4.891 1.00 0.00 H new ATOM 0 HB2 LYS T 43 90.787 7.508 -5.233 1.00 0.00 H new ATOM 0 HB3 LYS T 43 91.197 8.614 -6.528 1.00 0.00 H new ATOM 0 HG2 LYS T 43 93.084 9.507 -4.989 1.00 0.00 H new ATOM 0 HG3 LYS T 43 92.759 8.135 -3.948 1.00 0.00 H new ATOM 0 HD2 LYS T 43 93.177 6.567 -5.845 1.00 0.00 H new ATOM 0 HD3 LYS T 43 93.440 7.922 -6.926 1.00 0.00 H new ATOM 0 HE2 LYS T 43 95.329 8.694 -5.385 1.00 0.00 H new ATOM 0 HE3 LYS T 43 95.119 7.215 -4.468 1.00 0.00 H new ATOM 0 HZ1 LYS T 43 96.850 7.065 -6.218 1.00 0.00 H new ATOM 0 HZ2 LYS T 43 95.621 5.909 -6.409 1.00 0.00 H new ATOM 0 HZ3 LYS T 43 95.653 7.286 -7.402 1.00 0.00 H new ATOM 664 N VAL T 44 88.394 8.547 -5.466 1.00 0.00 N ATOM 665 CA VAL T 44 87.046 8.517 -6.025 1.00 0.00 C ATOM 666 C VAL T 44 86.193 9.646 -5.450 1.00 0.00 C ATOM 667 O VAL T 44 85.423 10.281 -6.169 1.00 0.00 O ATOM 668 CB VAL T 44 86.385 7.173 -5.720 1.00 0.00 C ATOM 669 CG1 VAL T 44 84.963 7.162 -6.287 1.00 0.00 C ATOM 670 CG2 VAL T 44 87.197 6.048 -6.364 1.00 0.00 C ATOM 0 H VAL T 44 88.761 7.635 -5.192 1.00 0.00 H new ATOM 0 HA VAL T 44 87.122 8.652 -7.104 1.00 0.00 H new ATOM 0 HB VAL T 44 86.347 7.024 -4.641 1.00 0.00 H new ATOM 0 HG11 VAL T 44 84.492 6.203 -6.069 1.00 0.00 H new ATOM 0 HG12 VAL T 44 84.383 7.964 -5.830 1.00 0.00 H new ATOM 0 HG13 VAL T 44 85.000 7.311 -7.366 1.00 0.00 H new ATOM 0 HG21 VAL T 44 86.726 5.089 -6.147 1.00 0.00 H new ATOM 0 HG22 VAL T 44 87.234 6.198 -7.443 1.00 0.00 H new ATOM 0 HG23 VAL T 44 88.210 6.054 -5.962 1.00 0.00 H new ATOM 680 N MET T 45 86.335 9.887 -4.151 1.00 0.00 N ATOM 681 CA MET T 45 85.569 10.940 -3.493 1.00 0.00 C ATOM 682 C MET T 45 86.009 12.314 -3.991 1.00 0.00 C ATOM 683 O MET T 45 85.226 13.265 -3.986 1.00 0.00 O ATOM 684 CB MET T 45 85.760 10.858 -1.978 1.00 0.00 C ATOM 685 CG MET T 45 85.041 9.621 -1.438 1.00 0.00 C ATOM 686 SD MET T 45 83.252 9.882 -1.514 1.00 0.00 S ATOM 687 CE MET T 45 82.760 8.158 -1.265 1.00 0.00 C ATOM 0 H MET T 45 86.967 9.373 -3.537 1.00 0.00 H new ATOM 0 HA MET T 45 84.515 10.800 -3.733 1.00 0.00 H new ATOM 0 HB2 MET T 45 86.822 10.808 -1.737 1.00 0.00 H new ATOM 0 HB3 MET T 45 85.367 11.757 -1.502 1.00 0.00 H new ATOM 0 HG2 MET T 45 85.316 8.743 -2.022 1.00 0.00 H new ATOM 0 HG3 MET T 45 85.348 9.429 -0.410 1.00 0.00 H new ATOM 0 HE1 MET T 45 81.673 8.085 -1.276 1.00 0.00 H new ATOM 0 HE2 MET T 45 83.174 7.543 -2.064 1.00 0.00 H new ATOM 0 HE3 MET T 45 83.137 7.807 -0.304 1.00 0.00 H new ATOM 697 N ARG T 46 87.263 12.412 -4.420 1.00 0.00 N ATOM 698 CA ARG T 46 87.792 13.677 -4.917 1.00 0.00 C ATOM 699 C ARG T 46 86.835 14.294 -5.932 1.00 0.00 C ATOM 700 O ARG T 46 86.684 15.514 -5.995 1.00 0.00 O ATOM 701 CB ARG T 46 89.157 13.453 -5.571 1.00 0.00 C ATOM 702 CG ARG T 46 89.829 14.805 -5.822 1.00 0.00 C ATOM 703 CD ARG T 46 91.193 14.584 -6.477 1.00 0.00 C ATOM 704 NE ARG T 46 91.883 15.857 -6.649 1.00 0.00 N ATOM 705 CZ ARG T 46 93.148 15.904 -7.054 1.00 0.00 C ATOM 706 NH1 ARG T 46 93.794 14.799 -7.306 1.00 0.00 N ATOM 707 NH2 ARG T 46 93.743 17.056 -7.200 1.00 0.00 N ATOM 0 H ARG T 46 87.927 11.638 -4.434 1.00 0.00 H new ATOM 0 HA ARG T 46 87.902 14.360 -4.074 1.00 0.00 H new ATOM 0 HB2 ARG T 46 89.784 12.837 -4.927 1.00 0.00 H new ATOM 0 HB3 ARG T 46 89.038 12.914 -6.511 1.00 0.00 H new ATOM 0 HG2 ARG T 46 89.201 15.421 -6.465 1.00 0.00 H new ATOM 0 HG3 ARG T 46 89.948 15.344 -4.882 1.00 0.00 H new ATOM 0 HD2 ARG T 46 91.796 13.916 -5.862 1.00 0.00 H new ATOM 0 HD3 ARG T 46 91.065 14.098 -7.444 1.00 0.00 H new ATOM 0 HE ARG T 46 91.386 16.727 -6.455 1.00 0.00 H new ATOM 0 HH11 ARG T 46 93.328 13.899 -7.192 1.00 0.00 H new ATOM 0 HH12 ARG T 46 94.765 14.835 -7.617 1.00 0.00 H new ATOM 0 HH21 ARG T 46 93.237 17.920 -7.003 1.00 0.00 H new ATOM 0 HH22 ARG T 46 94.714 17.093 -7.511 1.00 0.00 H new ATOM 721 N MET T 47 86.190 13.443 -6.723 1.00 0.00 N ATOM 722 CA MET T 47 85.249 13.916 -7.732 1.00 0.00 C ATOM 723 C MET T 47 84.018 14.527 -7.071 1.00 0.00 C ATOM 724 O MET T 47 83.509 15.556 -7.515 1.00 0.00 O ATOM 725 CB MET T 47 84.824 12.756 -8.634 1.00 0.00 C ATOM 726 CG MET T 47 86.012 12.313 -9.491 1.00 0.00 C ATOM 727 SD MET T 47 85.463 11.066 -10.683 1.00 0.00 S ATOM 728 CE MET T 47 85.637 9.626 -9.602 1.00 0.00 C ATOM 0 H MET T 47 86.300 12.430 -6.686 1.00 0.00 H new ATOM 0 HA MET T 47 85.742 14.681 -8.332 1.00 0.00 H new ATOM 0 HB2 MET T 47 84.468 11.922 -8.029 1.00 0.00 H new ATOM 0 HB3 MET T 47 83.996 13.063 -9.273 1.00 0.00 H new ATOM 0 HG2 MET T 47 86.437 13.170 -10.014 1.00 0.00 H new ATOM 0 HG3 MET T 47 86.799 11.904 -8.857 1.00 0.00 H new ATOM 0 HE1 MET T 47 85.345 8.727 -10.144 1.00 0.00 H new ATOM 0 HE2 MET T 47 86.675 9.536 -9.281 1.00 0.00 H new ATOM 0 HE3 MET T 47 84.996 9.747 -8.729 1.00 0.00 H new ATOM 738 N LEU T 48 83.545 13.887 -6.007 1.00 0.00 N ATOM 739 CA LEU T 48 82.372 14.376 -5.292 1.00 0.00 C ATOM 740 C LEU T 48 82.706 15.666 -4.546 1.00 0.00 C ATOM 741 O LEU T 48 81.840 16.270 -3.912 1.00 0.00 O ATOM 742 CB LEU T 48 81.885 13.314 -4.297 1.00 0.00 C ATOM 743 CG LEU T 48 81.131 12.208 -5.042 1.00 0.00 C ATOM 744 CD1 LEU T 48 81.998 11.666 -6.183 1.00 0.00 C ATOM 745 CD2 LEU T 48 80.803 11.075 -4.066 1.00 0.00 C ATOM 0 H LEU T 48 83.952 13.034 -5.623 1.00 0.00 H new ATOM 0 HA LEU T 48 81.582 14.580 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU T 48 82.734 12.890 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU T 48 81.234 13.772 -3.553 1.00 0.00 H new ATOM 0 HG LEU T 48 80.208 12.615 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU T 48 81.457 10.880 -6.709 1.00 0.00 H new ATOM 0 HD12 LEU T 48 82.232 12.473 -6.877 1.00 0.00 H new ATOM 0 HD13 LEU T 48 82.923 11.259 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU T 48 80.266 10.286 -4.592 1.00 0.00 H new ATOM 0 HD22 LEU T 48 81.727 10.672 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU T 48 80.181 11.460 -3.257 1.00 0.00 H new ATOM 757 N GLY T 49 83.966 16.081 -4.627 1.00 0.00 N ATOM 758 CA GLY T 49 84.402 17.300 -3.955 1.00 0.00 C ATOM 759 C GLY T 49 84.610 17.056 -2.465 1.00 0.00 C ATOM 760 O GLY T 49 84.159 17.838 -1.629 1.00 0.00 O ATOM 0 H GLY T 49 84.698 15.596 -5.147 1.00 0.00 H new ATOM 0 HA2 GLY T 49 85.331 17.654 -4.403 1.00 0.00 H new ATOM 0 HA3 GLY T 49 83.659 18.085 -4.099 1.00 0.00 H new ATOM 764 N GLN T 50 85.295 15.961 -2.138 1.00 0.00 N ATOM 765 CA GLN T 50 85.563 15.611 -0.742 1.00 0.00 C ATOM 766 C GLN T 50 86.963 15.019 -0.605 1.00 0.00 C ATOM 767 O GLN T 50 87.477 14.392 -1.531 1.00 0.00 O ATOM 768 CB GLN T 50 84.528 14.592 -0.250 1.00 0.00 C ATOM 769 CG GLN T 50 83.191 15.293 0.007 1.00 0.00 C ATOM 770 CD GLN T 50 83.299 16.187 1.238 1.00 0.00 C ATOM 771 OE1 GLN T 50 83.246 17.411 1.123 1.00 0.00 O ATOM 772 NE2 GLN T 50 83.447 15.645 2.416 1.00 0.00 N ATOM 0 H GLN T 50 85.674 15.302 -2.818 1.00 0.00 H new ATOM 0 HA GLN T 50 85.497 16.516 -0.138 1.00 0.00 H new ATOM 0 HB2 GLN T 50 84.399 13.804 -0.992 1.00 0.00 H new ATOM 0 HB3 GLN T 50 84.880 14.115 0.664 1.00 0.00 H new ATOM 0 HG2 GLN T 50 82.910 15.889 -0.862 1.00 0.00 H new ATOM 0 HG3 GLN T 50 82.405 14.552 0.153 1.00 0.00 H new ATOM 0 HE21 GLN T 50 83.491 14.630 2.509 1.00 0.00 H new ATOM 0 HE22 GLN T 50 83.519 16.236 3.244 1.00 0.00 H new ATOM 781 N ASN T 51 87.574 15.221 0.558 1.00 0.00 N ATOM 782 CA ASN T 51 88.914 14.701 0.806 1.00 0.00 C ATOM 783 C ASN T 51 89.295 14.877 2.274 1.00 0.00 C ATOM 784 O ASN T 51 90.288 15.531 2.593 1.00 0.00 O ATOM 785 CB ASN T 51 89.928 15.431 -0.077 1.00 0.00 C ATOM 786 CG ASN T 51 91.298 14.773 0.049 1.00 0.00 C ATOM 787 OD1 ASN T 51 92.166 15.276 0.765 1.00 0.00 O ATOM 788 ND2 ASN T 51 91.546 13.673 -0.607 1.00 0.00 N ATOM 0 H ASN T 51 87.167 15.737 1.338 1.00 0.00 H new ATOM 0 HA ASN T 51 88.921 13.638 0.566 1.00 0.00 H new ATOM 0 HB2 ASN T 51 89.599 15.410 -1.116 1.00 0.00 H new ATOM 0 HB3 ASN T 51 89.990 16.479 0.216 1.00 0.00 H new ATOM 0 HD21 ASN T 51 92.460 13.227 -0.528 1.00 0.00 H new ATOM 0 HD22 ASN T 51 90.826 13.259 -1.199 1.00 0.00 H new ATOM 795 N PRO T 52 88.528 14.306 3.165 1.00 0.00 N ATOM 796 CA PRO T 52 88.787 14.398 4.632 1.00 0.00 C ATOM 797 C PRO T 52 89.951 13.504 5.062 1.00 0.00 C ATOM 798 O PRO T 52 90.617 12.891 4.228 1.00 0.00 O ATOM 799 CB PRO T 52 87.463 13.931 5.252 1.00 0.00 C ATOM 800 CG PRO T 52 86.891 12.982 4.247 1.00 0.00 C ATOM 801 CD PRO T 52 87.323 13.508 2.873 1.00 0.00 C ATOM 0 HA PRO T 52 89.077 15.401 4.946 1.00 0.00 H new ATOM 0 HB2 PRO T 52 87.626 13.441 6.212 1.00 0.00 H new ATOM 0 HB3 PRO T 52 86.791 14.770 5.432 1.00 0.00 H new ATOM 0 HG2 PRO T 52 87.262 11.970 4.411 1.00 0.00 H new ATOM 0 HG3 PRO T 52 85.805 12.940 4.325 1.00 0.00 H new ATOM 0 HD2 PRO T 52 87.541 12.693 2.183 1.00 0.00 H new ATOM 0 HD3 PRO T 52 86.543 14.115 2.414 1.00 0.00 H new ATOM 809 N THR T 53 90.186 13.436 6.368 1.00 0.00 N ATOM 810 CA THR T 53 91.270 12.614 6.899 1.00 0.00 C ATOM 811 C THR T 53 90.950 11.130 6.699 1.00 0.00 C ATOM 812 O THR T 53 89.781 10.749 6.634 1.00 0.00 O ATOM 813 CB THR T 53 91.468 12.907 8.398 1.00 0.00 C ATOM 814 OG1 THR T 53 91.893 11.724 9.062 1.00 0.00 O ATOM 815 CG2 THR T 53 90.150 13.384 9.014 1.00 0.00 C ATOM 0 H THR T 53 89.646 13.935 7.074 1.00 0.00 H new ATOM 0 HA THR T 53 92.189 12.855 6.364 1.00 0.00 H new ATOM 0 HB THR T 53 92.223 13.685 8.512 1.00 0.00 H new ATOM 0 HG1 THR T 53 92.020 11.912 10.015 1.00 0.00 H new ATOM 0 HG21 THR T 53 90.297 13.589 10.074 1.00 0.00 H new ATOM 0 HG22 THR T 53 89.821 14.293 8.511 1.00 0.00 H new ATOM 0 HG23 THR T 53 89.392 12.610 8.896 1.00 0.00 H new ATOM 823 N PRO T 54 91.952 10.288 6.604 1.00 0.00 N ATOM 824 CA PRO T 54 91.746 8.820 6.411 1.00 0.00 C ATOM 825 C PRO T 54 91.175 8.158 7.665 1.00 0.00 C ATOM 826 O PRO T 54 90.855 6.970 7.660 1.00 0.00 O ATOM 827 CB PRO T 54 93.156 8.299 6.090 1.00 0.00 C ATOM 828 CG PRO T 54 94.081 9.271 6.748 1.00 0.00 C ATOM 829 CD PRO T 54 93.386 10.632 6.669 1.00 0.00 C ATOM 0 HA PRO T 54 91.023 8.597 5.626 1.00 0.00 H new ATOM 0 HB2 PRO T 54 93.302 7.290 6.476 1.00 0.00 H new ATOM 0 HB3 PRO T 54 93.327 8.257 5.014 1.00 0.00 H new ATOM 0 HG2 PRO T 54 94.271 8.989 7.784 1.00 0.00 H new ATOM 0 HG3 PRO T 54 95.046 9.295 6.242 1.00 0.00 H new ATOM 0 HD2 PRO T 54 93.611 11.248 7.540 1.00 0.00 H new ATOM 0 HD3 PRO T 54 93.704 11.194 5.790 1.00 0.00 H new ATOM 837 N GLU T 55 91.051 8.938 8.735 1.00 0.00 N ATOM 838 CA GLU T 55 90.518 8.420 9.991 1.00 0.00 C ATOM 839 C GLU T 55 88.993 8.393 9.954 1.00 0.00 C ATOM 840 O GLU T 55 88.363 7.544 10.584 1.00 0.00 O ATOM 841 CB GLU T 55 90.987 9.292 11.157 1.00 0.00 C ATOM 842 CG GLU T 55 90.672 8.590 12.479 1.00 0.00 C ATOM 843 CD GLU T 55 90.963 9.526 13.648 1.00 0.00 C ATOM 844 OE1 GLU T 55 90.691 10.708 13.515 1.00 0.00 O ATOM 845 OE2 GLU T 55 91.452 9.047 14.656 1.00 0.00 O ATOM 0 H GLU T 55 91.310 9.924 8.758 1.00 0.00 H new ATOM 0 HA GLU T 55 90.885 7.403 10.128 1.00 0.00 H new ATOM 0 HB2 GLU T 55 92.058 9.478 11.078 1.00 0.00 H new ATOM 0 HB3 GLU T 55 90.492 10.262 11.121 1.00 0.00 H new ATOM 0 HG2 GLU T 55 89.626 8.285 12.498 1.00 0.00 H new ATOM 0 HG3 GLU T 55 91.270 7.683 12.571 1.00 0.00 H new ATOM 852 N GLU T 56 88.408 9.331 9.215 1.00 0.00 N ATOM 853 CA GLU T 56 86.954 9.406 9.105 1.00 0.00 C ATOM 854 C GLU T 56 86.434 8.370 8.113 1.00 0.00 C ATOM 855 O GLU T 56 85.350 7.817 8.291 1.00 0.00 O ATOM 856 CB GLU T 56 86.537 10.807 8.648 1.00 0.00 C ATOM 857 CG GLU T 56 86.730 11.798 9.797 1.00 0.00 C ATOM 858 CD GLU T 56 86.331 13.200 9.350 1.00 0.00 C ATOM 859 OE1 GLU T 56 85.153 13.511 9.419 1.00 0.00 O ATOM 860 OE2 GLU T 56 87.209 13.942 8.942 1.00 0.00 O ATOM 0 H GLU T 56 88.912 10.044 8.688 1.00 0.00 H new ATOM 0 HA GLU T 56 86.524 9.199 10.085 1.00 0.00 H new ATOM 0 HB2 GLU T 56 87.132 11.112 7.787 1.00 0.00 H new ATOM 0 HB3 GLU T 56 85.495 10.802 8.330 1.00 0.00 H new ATOM 0 HG2 GLU T 56 86.128 11.496 10.654 1.00 0.00 H new ATOM 0 HG3 GLU T 56 87.771 11.793 10.121 1.00 0.00 H new ATOM 867 N LEU T 57 87.214 8.113 7.067 1.00 0.00 N ATOM 868 CA LEU T 57 86.817 7.140 6.055 1.00 0.00 C ATOM 869 C LEU T 57 86.887 5.723 6.614 1.00 0.00 C ATOM 870 O LEU T 57 85.947 4.943 6.468 1.00 0.00 O ATOM 871 CB LEU T 57 87.731 7.252 4.831 1.00 0.00 C ATOM 872 CG LEU T 57 87.817 8.712 4.374 1.00 0.00 C ATOM 873 CD1 LEU T 57 88.817 8.821 3.220 1.00 0.00 C ATOM 874 CD2 LEU T 57 86.436 9.195 3.904 1.00 0.00 C ATOM 0 H LEU T 57 88.115 8.560 6.899 1.00 0.00 H new ATOM 0 HA LEU T 57 85.789 7.353 5.762 1.00 0.00 H new ATOM 0 HB2 LEU T 57 88.726 6.879 5.074 1.00 0.00 H new ATOM 0 HB3 LEU T 57 87.347 6.631 4.022 1.00 0.00 H new ATOM 0 HG LEU T 57 88.147 9.333 5.207 1.00 0.00 H new ATOM 0 HD11 LEU T 57 88.882 9.858 2.891 1.00 0.00 H new ATOM 0 HD12 LEU T 57 89.798 8.485 3.556 1.00 0.00 H new ATOM 0 HD13 LEU T 57 88.484 8.198 2.390 1.00 0.00 H new ATOM 0 HD21 LEU T 57 86.504 10.234 3.581 1.00 0.00 H new ATOM 0 HD22 LEU T 57 86.098 8.577 3.072 1.00 0.00 H new ATOM 0 HD23 LEU T 57 85.724 9.117 4.726 1.00 0.00 H new ATOM 886 N GLN T 58 88.006 5.395 7.253 1.00 0.00 N ATOM 887 CA GLN T 58 88.184 4.065 7.826 1.00 0.00 C ATOM 888 C GLN T 58 86.930 3.635 8.584 1.00 0.00 C ATOM 889 O GLN T 58 86.580 2.454 8.604 1.00 0.00 O ATOM 890 CB GLN T 58 89.397 4.063 8.770 1.00 0.00 C ATOM 891 CG GLN T 58 89.473 2.740 9.546 1.00 0.00 C ATOM 892 CD GLN T 58 89.345 1.553 8.596 1.00 0.00 C ATOM 893 OE1 GLN T 58 88.330 0.856 8.605 1.00 0.00 O ATOM 894 NE2 GLN T 58 90.318 1.280 7.771 1.00 0.00 N ATOM 0 H GLN T 58 88.797 6.026 7.386 1.00 0.00 H new ATOM 0 HA GLN T 58 88.358 3.356 7.016 1.00 0.00 H new ATOM 0 HB2 GLN T 58 90.312 4.208 8.196 1.00 0.00 H new ATOM 0 HB3 GLN T 58 89.323 4.897 9.468 1.00 0.00 H new ATOM 0 HG2 GLN T 58 90.419 2.682 10.084 1.00 0.00 H new ATOM 0 HG3 GLN T 58 88.679 2.703 10.292 1.00 0.00 H new ATOM 0 HE21 GLN T 58 91.158 1.858 7.764 1.00 0.00 H new ATOM 0 HE22 GLN T 58 90.238 0.489 7.133 1.00 0.00 H new ATOM 903 N GLU T 59 86.256 4.599 9.204 1.00 0.00 N ATOM 904 CA GLU T 59 85.043 4.304 9.957 1.00 0.00 C ATOM 905 C GLU T 59 84.018 3.611 9.065 1.00 0.00 C ATOM 906 O GLU T 59 83.255 2.761 9.524 1.00 0.00 O ATOM 907 CB GLU T 59 84.444 5.596 10.515 1.00 0.00 C ATOM 908 CG GLU T 59 85.430 6.234 11.497 1.00 0.00 C ATOM 909 CD GLU T 59 84.934 7.614 11.913 1.00 0.00 C ATOM 910 OE1 GLU T 59 84.172 8.199 11.160 1.00 0.00 O ATOM 911 OE2 GLU T 59 85.323 8.065 12.976 1.00 0.00 O ATOM 0 H GLU T 59 86.526 5.582 9.200 1.00 0.00 H new ATOM 0 HA GLU T 59 85.302 3.640 10.782 1.00 0.00 H new ATOM 0 HB2 GLU T 59 84.225 6.288 9.702 1.00 0.00 H new ATOM 0 HB3 GLU T 59 83.500 5.384 11.017 1.00 0.00 H new ATOM 0 HG2 GLU T 59 85.543 5.599 12.376 1.00 0.00 H new ATOM 0 HG3 GLU T 59 86.414 6.316 11.035 1.00 0.00 H new ATOM 918 N MET T 60 84.008 3.979 7.789 1.00 0.00 N ATOM 919 CA MET T 60 83.075 3.387 6.838 1.00 0.00 C ATOM 920 C MET T 60 83.534 1.988 6.437 1.00 0.00 C ATOM 921 O MET T 60 82.716 1.088 6.247 1.00 0.00 O ATOM 922 CB MET T 60 82.971 4.270 5.591 1.00 0.00 C ATOM 923 CG MET T 60 82.174 5.537 5.916 1.00 0.00 C ATOM 924 SD MET T 60 80.404 5.155 5.906 1.00 0.00 S ATOM 925 CE MET T 60 80.106 5.507 4.156 1.00 0.00 C ATOM 0 H MET T 60 84.632 4.681 7.391 1.00 0.00 H new ATOM 0 HA MET T 60 82.097 3.313 7.314 1.00 0.00 H new ATOM 0 HB2 MET T 60 83.968 4.537 5.239 1.00 0.00 H new ATOM 0 HB3 MET T 60 82.485 3.721 4.785 1.00 0.00 H new ATOM 0 HG2 MET T 60 82.468 5.924 6.892 1.00 0.00 H new ATOM 0 HG3 MET T 60 82.393 6.315 5.185 1.00 0.00 H new ATOM 0 HE1 MET T 60 79.271 4.903 3.801 1.00 0.00 H new ATOM 0 HE2 MET T 60 79.869 6.564 4.033 1.00 0.00 H new ATOM 0 HE3 MET T 60 80.999 5.266 3.579 1.00 0.00 H new ATOM 935 N ILE T 61 84.846 1.813 6.310 1.00 0.00 N ATOM 936 CA ILE T 61 85.404 0.519 5.931 1.00 0.00 C ATOM 937 C ILE T 61 85.505 -0.392 7.155 1.00 0.00 C ATOM 938 O ILE T 61 85.738 -1.595 7.027 1.00 0.00 O ATOM 939 CB ILE T 61 86.795 0.712 5.305 1.00 0.00 C ATOM 940 CG1 ILE T 61 86.653 1.368 3.923 1.00 0.00 C ATOM 941 CG2 ILE T 61 87.488 -0.645 5.142 1.00 0.00 C ATOM 942 CD1 ILE T 61 86.144 2.808 4.061 1.00 0.00 C ATOM 0 H ILE T 61 85.539 2.546 6.463 1.00 0.00 H new ATOM 0 HA ILE T 61 84.745 0.052 5.199 1.00 0.00 H new ATOM 0 HB ILE T 61 87.390 1.350 5.959 1.00 0.00 H new ATOM 0 HG12 ILE T 61 87.616 1.364 3.411 1.00 0.00 H new ATOM 0 HG13 ILE T 61 85.963 0.790 3.309 1.00 0.00 H new ATOM 0 HG21 ILE T 61 88.473 -0.500 4.698 1.00 0.00 H new ATOM 0 HG22 ILE T 61 87.596 -1.118 6.118 1.00 0.00 H new ATOM 0 HG23 ILE T 61 86.888 -1.284 4.494 1.00 0.00 H new ATOM 0 HD11 ILE T 61 86.050 3.257 3.072 1.00 0.00 H new ATOM 0 HD12 ILE T 61 85.171 2.804 4.552 1.00 0.00 H new ATOM 0 HD13 ILE T 61 86.849 3.388 4.657 1.00 0.00 H new ATOM 954 N ASP T 62 85.334 0.189 8.337 1.00 0.00 N ATOM 955 CA ASP T 62 85.415 -0.581 9.575 1.00 0.00 C ATOM 956 C ASP T 62 84.126 -1.360 9.819 1.00 0.00 C ATOM 957 O ASP T 62 84.158 -2.563 10.080 1.00 0.00 O ATOM 958 CB ASP T 62 85.675 0.360 10.754 1.00 0.00 C ATOM 959 CG ASP T 62 85.668 -0.427 12.061 1.00 0.00 C ATOM 960 OD1 ASP T 62 86.457 -1.351 12.177 1.00 0.00 O ATOM 961 OD2 ASP T 62 84.875 -0.094 12.926 1.00 0.00 O ATOM 0 H ASP T 62 85.140 1.182 8.465 1.00 0.00 H new ATOM 0 HA ASP T 62 86.237 -1.291 9.482 1.00 0.00 H new ATOM 0 HB2 ASP T 62 86.635 0.860 10.626 1.00 0.00 H new ATOM 0 HB3 ASP T 62 84.912 1.138 10.784 1.00 0.00 H new ATOM 966 N GLU T 63 82.994 -0.668 9.741 1.00 0.00 N ATOM 967 CA GLU T 63 81.701 -1.308 9.965 1.00 0.00 C ATOM 968 C GLU T 63 81.551 -2.554 9.091 1.00 0.00 C ATOM 969 O GLU T 63 81.054 -3.584 9.547 1.00 0.00 O ATOM 970 CB GLU T 63 80.569 -0.317 9.668 1.00 0.00 C ATOM 971 CG GLU T 63 80.919 0.502 8.425 1.00 0.00 C ATOM 972 CD GLU T 63 79.677 1.223 7.908 1.00 0.00 C ATOM 973 OE1 GLU T 63 78.981 1.814 8.717 1.00 0.00 O ATOM 974 OE2 GLU T 63 79.441 1.172 6.712 1.00 0.00 O ATOM 0 H GLU T 63 82.944 0.328 9.526 1.00 0.00 H new ATOM 0 HA GLU T 63 81.645 -1.615 11.009 1.00 0.00 H new ATOM 0 HB2 GLU T 63 79.634 -0.854 9.511 1.00 0.00 H new ATOM 0 HB3 GLU T 63 80.417 0.344 10.521 1.00 0.00 H new ATOM 0 HG2 GLU T 63 81.697 1.227 8.664 1.00 0.00 H new ATOM 0 HG3 GLU T 63 81.319 -0.151 7.650 1.00 0.00 H new ATOM 981 N VAL T 64 81.979 -2.456 7.836 1.00 0.00 N ATOM 982 CA VAL T 64 81.878 -3.588 6.918 1.00 0.00 C ATOM 983 C VAL T 64 82.970 -4.615 7.203 1.00 0.00 C ATOM 984 O VAL T 64 82.705 -5.816 7.257 1.00 0.00 O ATOM 985 CB VAL T 64 81.991 -3.110 5.467 1.00 0.00 C ATOM 986 CG1 VAL T 64 80.821 -2.179 5.140 1.00 0.00 C ATOM 987 CG2 VAL T 64 83.312 -2.359 5.274 1.00 0.00 C ATOM 0 H VAL T 64 82.394 -1.616 7.434 1.00 0.00 H new ATOM 0 HA VAL T 64 80.905 -4.057 7.068 1.00 0.00 H new ATOM 0 HB VAL T 64 81.964 -3.972 4.801 1.00 0.00 H new ATOM 0 HG11 VAL T 64 80.903 -1.840 4.107 1.00 0.00 H new ATOM 0 HG12 VAL T 64 79.881 -2.715 5.272 1.00 0.00 H new ATOM 0 HG13 VAL T 64 80.844 -1.318 5.807 1.00 0.00 H new ATOM 0 HG21 VAL T 64 83.390 -2.020 4.241 1.00 0.00 H new ATOM 0 HG22 VAL T 64 83.342 -1.498 5.942 1.00 0.00 H new ATOM 0 HG23 VAL T 64 84.145 -3.024 5.502 1.00 0.00 H new ATOM 997 N ASP T 65 84.198 -4.138 7.384 1.00 0.00 N ATOM 998 CA ASP T 65 85.318 -5.030 7.660 1.00 0.00 C ATOM 999 C ASP T 65 85.061 -5.830 8.934 1.00 0.00 C ATOM 1000 O ASP T 65 85.574 -5.498 10.001 1.00 0.00 O ATOM 1001 CB ASP T 65 86.609 -4.221 7.810 1.00 0.00 C ATOM 1002 CG ASP T 65 87.098 -3.758 6.441 1.00 0.00 C ATOM 1003 OD1 ASP T 65 86.337 -3.864 5.495 1.00 0.00 O ATOM 1004 OD2 ASP T 65 88.229 -3.305 6.360 1.00 0.00 O ATOM 0 H ASP T 65 84.441 -3.148 7.345 1.00 0.00 H new ATOM 0 HA ASP T 65 85.423 -5.722 6.825 1.00 0.00 H new ATOM 0 HB2 ASP T 65 86.435 -3.359 8.454 1.00 0.00 H new ATOM 0 HB3 ASP T 65 87.375 -4.829 8.292 1.00 0.00 H new ATOM 1009 N GLU T 66 84.267 -6.889 8.810 1.00 0.00 N ATOM 1010 CA GLU T 66 83.952 -7.731 9.959 1.00 0.00 C ATOM 1011 C GLU T 66 85.217 -8.396 10.492 1.00 0.00 C ATOM 1012 O GLU T 66 85.352 -8.622 11.694 1.00 0.00 O ATOM 1013 CB GLU T 66 82.937 -8.805 9.559 1.00 0.00 C ATOM 1014 CG GLU T 66 81.558 -8.167 9.378 1.00 0.00 C ATOM 1015 CD GLU T 66 80.952 -7.843 10.740 1.00 0.00 C ATOM 1016 OE1 GLU T 66 81.222 -6.767 11.245 1.00 0.00 O ATOM 1017 OE2 GLU T 66 80.226 -8.677 11.256 1.00 0.00 O ATOM 0 H GLU T 66 83.834 -7.183 7.935 1.00 0.00 H new ATOM 0 HA GLU T 66 83.524 -7.104 10.741 1.00 0.00 H new ATOM 0 HB2 GLU T 66 83.250 -9.288 8.633 1.00 0.00 H new ATOM 0 HB3 GLU T 66 82.892 -9.580 10.324 1.00 0.00 H new ATOM 0 HG2 GLU T 66 81.644 -7.258 8.783 1.00 0.00 H new ATOM 0 HG3 GLU T 66 80.903 -8.845 8.831 1.00 0.00 H new ATOM 1024 N ASP T 67 86.142 -8.705 9.588 1.00 0.00 N ATOM 1025 CA ASP T 67 87.396 -9.345 9.974 1.00 0.00 C ATOM 1026 C ASP T 67 88.395 -8.305 10.472 1.00 0.00 C ATOM 1027 O ASP T 67 89.314 -8.625 11.225 1.00 0.00 O ATOM 1028 CB ASP T 67 87.990 -10.091 8.778 1.00 0.00 C ATOM 1029 CG ASP T 67 88.109 -9.151 7.582 1.00 0.00 C ATOM 1030 OD1 ASP T 67 87.443 -8.128 7.589 1.00 0.00 O ATOM 1031 OD2 ASP T 67 88.863 -9.468 6.677 1.00 0.00 O ATOM 0 H ASP T 67 86.048 -8.524 8.589 1.00 0.00 H new ATOM 0 HA ASP T 67 87.190 -10.051 10.778 1.00 0.00 H new ATOM 0 HB2 ASP T 67 88.971 -10.488 9.038 1.00 0.00 H new ATOM 0 HB3 ASP T 67 87.360 -10.942 8.520 1.00 0.00 H new ATOM 1036 N GLY T 68 88.207 -7.059 10.045 1.00 0.00 N ATOM 1037 CA GLY T 68 89.100 -5.980 10.453 1.00 0.00 C ATOM 1038 C GLY T 68 90.405 -6.025 9.666 1.00 0.00 C ATOM 1039 O GLY T 68 91.466 -5.680 10.185 1.00 0.00 O ATOM 0 H GLY T 68 87.451 -6.774 9.422 1.00 0.00 H new ATOM 0 HA2 GLY T 68 88.610 -5.019 10.297 1.00 0.00 H new ATOM 0 HA3 GLY T 68 89.311 -6.061 11.519 1.00 0.00 H new ATOM 1043 N SER T 69 90.317 -6.454 8.411 1.00 0.00 N ATOM 1044 CA SER T 69 91.497 -6.543 7.558 1.00 0.00 C ATOM 1045 C SER T 69 91.859 -5.171 6.996 1.00 0.00 C ATOM 1046 O SER T 69 93.012 -4.918 6.645 1.00 0.00 O ATOM 1047 CB SER T 69 91.235 -7.513 6.406 1.00 0.00 C ATOM 1048 OG SER T 69 90.003 -7.178 5.782 1.00 0.00 O ATOM 0 H SER T 69 89.447 -6.744 7.964 1.00 0.00 H new ATOM 0 HA SER T 69 92.330 -6.908 8.160 1.00 0.00 H new ATOM 0 HB2 SER T 69 92.048 -7.464 5.682 1.00 0.00 H new ATOM 0 HB3 SER T 69 91.201 -8.537 6.778 1.00 0.00 H new ATOM 0 HG SER T 69 89.395 -7.945 5.827 1.00 0.00 H new ATOM 1054 N GLY T 70 90.867 -4.289 6.913 1.00 0.00 N ATOM 1055 CA GLY T 70 91.092 -2.946 6.390 1.00 0.00 C ATOM 1056 C GLY T 70 91.066 -2.946 4.865 1.00 0.00 C ATOM 1057 O GLY T 70 91.842 -2.238 4.221 1.00 0.00 O ATOM 0 H GLY T 70 89.906 -4.478 7.199 1.00 0.00 H new ATOM 0 HA2 GLY T 70 90.327 -2.270 6.771 1.00 0.00 H new ATOM 0 HA3 GLY T 70 92.053 -2.570 6.742 1.00 0.00 H new ATOM 1061 N THR T 71 90.166 -3.743 4.295 1.00 0.00 N ATOM 1062 CA THR T 71 90.040 -3.834 2.841 1.00 0.00 C ATOM 1063 C THR T 71 88.616 -4.217 2.454 1.00 0.00 C ATOM 1064 O THR T 71 88.082 -5.219 2.929 1.00 0.00 O ATOM 1065 CB THR T 71 91.017 -4.878 2.295 1.00 0.00 C ATOM 1066 OG1 THR T 71 90.783 -6.124 2.939 1.00 0.00 O ATOM 1067 CG2 THR T 71 92.455 -4.428 2.559 1.00 0.00 C ATOM 0 H THR T 71 89.516 -4.333 4.814 1.00 0.00 H new ATOM 0 HA THR T 71 90.274 -2.860 2.412 1.00 0.00 H new ATOM 0 HB THR T 71 90.867 -4.987 1.221 1.00 0.00 H new ATOM 0 HG1 THR T 71 89.846 -6.175 3.223 1.00 0.00 H new ATOM 0 HG21 THR T 71 93.147 -5.174 2.169 1.00 0.00 H new ATOM 0 HG22 THR T 71 92.634 -3.473 2.065 1.00 0.00 H new ATOM 0 HG23 THR T 71 92.610 -4.316 3.632 1.00 0.00 H new ATOM 1075 N VAL T 72 88.006 -3.413 1.588 1.00 0.00 N ATOM 1076 CA VAL T 72 86.640 -3.675 1.141 1.00 0.00 C ATOM 1077 C VAL T 72 86.635 -4.677 -0.008 1.00 0.00 C ATOM 1078 O VAL T 72 86.682 -4.296 -1.177 1.00 0.00 O ATOM 1079 CB VAL T 72 85.977 -2.371 0.687 1.00 0.00 C ATOM 1080 CG1 VAL T 72 84.581 -2.668 0.132 1.00 0.00 C ATOM 1081 CG2 VAL T 72 85.859 -1.417 1.879 1.00 0.00 C ATOM 0 H VAL T 72 88.432 -2.579 1.183 1.00 0.00 H new ATOM 0 HA VAL T 72 86.080 -4.094 1.977 1.00 0.00 H new ATOM 0 HB VAL T 72 86.584 -1.909 -0.092 1.00 0.00 H new ATOM 0 HG11 VAL T 72 84.112 -1.738 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL T 72 84.664 -3.346 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL T 72 83.972 -3.132 0.908 1.00 0.00 H new ATOM 0 HG21 VAL T 72 85.387 -0.489 1.557 1.00 0.00 H new ATOM 0 HG22 VAL T 72 85.253 -1.881 2.658 1.00 0.00 H new ATOM 0 HG23 VAL T 72 86.852 -1.202 2.272 1.00 0.00 H new ATOM 1091 N ASP T 73 86.577 -5.960 0.334 1.00 0.00 N ATOM 1092 CA ASP T 73 86.565 -7.009 -0.677 1.00 0.00 C ATOM 1093 C ASP T 73 85.226 -7.022 -1.408 1.00 0.00 C ATOM 1094 O ASP T 73 84.306 -6.292 -1.046 1.00 0.00 O ATOM 1095 CB ASP T 73 86.807 -8.370 -0.024 1.00 0.00 C ATOM 1096 CG ASP T 73 85.721 -8.653 1.009 1.00 0.00 C ATOM 1097 OD1 ASP T 73 84.561 -8.451 0.688 1.00 0.00 O ATOM 1098 OD2 ASP T 73 86.065 -9.068 2.103 1.00 0.00 O ATOM 0 H ASP T 73 86.538 -6.296 1.296 1.00 0.00 H new ATOM 0 HA ASP T 73 87.360 -6.809 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP T 73 86.810 -9.152 -0.784 1.00 0.00 H new ATOM 0 HB3 ASP T 73 87.787 -8.385 0.453 1.00 0.00 H new ATOM 1103 N PHE T 74 85.124 -7.857 -2.437 1.00 0.00 N ATOM 1104 CA PHE T 74 83.891 -7.952 -3.209 1.00 0.00 C ATOM 1105 C PHE T 74 82.848 -8.777 -2.459 1.00 0.00 C ATOM 1106 O PHE T 74 81.772 -9.057 -2.985 1.00 0.00 O ATOM 1107 CB PHE T 74 84.176 -8.598 -4.566 1.00 0.00 C ATOM 1108 CG PHE T 74 82.945 -8.504 -5.439 1.00 0.00 C ATOM 1109 CD1 PHE T 74 82.680 -7.328 -6.149 1.00 0.00 C ATOM 1110 CD2 PHE T 74 82.073 -9.595 -5.537 1.00 0.00 C ATOM 1111 CE1 PHE T 74 81.539 -7.242 -6.958 1.00 0.00 C ATOM 1112 CE2 PHE T 74 80.933 -9.509 -6.346 1.00 0.00 C ATOM 1113 CZ PHE T 74 80.667 -8.332 -7.057 1.00 0.00 C ATOM 0 H PHE T 74 85.873 -8.472 -2.753 1.00 0.00 H new ATOM 0 HA PHE T 74 83.500 -6.946 -3.359 1.00 0.00 H new ATOM 0 HB2 PHE T 74 85.016 -8.099 -5.049 1.00 0.00 H new ATOM 0 HB3 PHE T 74 84.460 -9.642 -4.431 1.00 0.00 H new ATOM 0 HD1 PHE T 74 83.354 -6.487 -6.074 1.00 0.00 H new ATOM 0 HD2 PHE T 74 82.279 -10.502 -4.989 1.00 0.00 H new ATOM 0 HE1 PHE T 74 81.333 -6.334 -7.505 1.00 0.00 H new ATOM 0 HE2 PHE T 74 80.259 -10.350 -6.422 1.00 0.00 H new ATOM 0 HZ PHE T 74 79.789 -8.266 -7.682 1.00 0.00 H new ATOM 1123 N ASP T 75 83.178 -9.167 -1.229 1.00 0.00 N ATOM 1124 CA ASP T 75 82.265 -9.966 -0.408 1.00 0.00 C ATOM 1125 C ASP T 75 81.457 -9.073 0.531 1.00 0.00 C ATOM 1126 O ASP T 75 80.256 -8.880 0.339 1.00 0.00 O ATOM 1127 CB ASP T 75 83.062 -10.983 0.413 1.00 0.00 C ATOM 1128 CG ASP T 75 84.147 -11.614 -0.452 1.00 0.00 C ATOM 1129 OD1 ASP T 75 83.800 -12.248 -1.435 1.00 0.00 O ATOM 1130 OD2 ASP T 75 85.311 -11.453 -0.119 1.00 0.00 O ATOM 0 H ASP T 75 84.066 -8.945 -0.779 1.00 0.00 H new ATOM 0 HA ASP T 75 81.575 -10.489 -1.071 1.00 0.00 H new ATOM 0 HB2 ASP T 75 83.512 -10.493 1.276 1.00 0.00 H new ATOM 0 HB3 ASP T 75 82.396 -11.756 0.797 1.00 0.00 H new ATOM 1135 N GLU T 76 82.121 -8.540 1.552 1.00 0.00 N ATOM 1136 CA GLU T 76 81.452 -7.678 2.522 1.00 0.00 C ATOM 1137 C GLU T 76 80.909 -6.419 1.851 1.00 0.00 C ATOM 1138 O GLU T 76 80.248 -5.602 2.493 1.00 0.00 O ATOM 1139 CB GLU T 76 82.425 -7.293 3.639 1.00 0.00 C ATOM 1140 CG GLU T 76 83.500 -6.353 3.088 1.00 0.00 C ATOM 1141 CD GLU T 76 84.668 -6.263 4.066 1.00 0.00 C ATOM 1142 OE1 GLU T 76 84.674 -7.018 5.023 1.00 0.00 O ATOM 1143 OE2 GLU T 76 85.539 -5.438 3.842 1.00 0.00 O ATOM 0 H GLU T 76 83.115 -8.688 1.729 1.00 0.00 H new ATOM 0 HA GLU T 76 80.614 -8.230 2.947 1.00 0.00 H new ATOM 0 HB2 GLU T 76 81.886 -6.807 4.452 1.00 0.00 H new ATOM 0 HB3 GLU T 76 82.889 -8.188 4.054 1.00 0.00 H new ATOM 0 HG2 GLU T 76 83.851 -6.716 2.122 1.00 0.00 H new ATOM 0 HG3 GLU T 76 83.077 -5.362 2.922 1.00 0.00 H new ATOM 1150 N PHE T 77 81.186 -6.267 0.561 1.00 0.00 N ATOM 1151 CA PHE T 77 80.712 -5.102 -0.177 1.00 0.00 C ATOM 1152 C PHE T 77 79.201 -5.178 -0.375 1.00 0.00 C ATOM 1153 O PHE T 77 78.465 -4.282 0.036 1.00 0.00 O ATOM 1154 CB PHE T 77 81.408 -5.020 -1.537 1.00 0.00 C ATOM 1155 CG PHE T 77 80.838 -3.865 -2.330 1.00 0.00 C ATOM 1156 CD1 PHE T 77 81.140 -2.549 -1.961 1.00 0.00 C ATOM 1157 CD2 PHE T 77 80.006 -4.109 -3.431 1.00 0.00 C ATOM 1158 CE1 PHE T 77 80.613 -1.478 -2.692 1.00 0.00 C ATOM 1159 CE2 PHE T 77 79.480 -3.038 -4.162 1.00 0.00 C ATOM 1160 CZ PHE T 77 79.784 -1.722 -3.792 1.00 0.00 C ATOM 0 H PHE T 77 81.731 -6.929 0.009 1.00 0.00 H new ATOM 0 HA PHE T 77 80.949 -4.208 0.400 1.00 0.00 H new ATOM 0 HB2 PHE T 77 82.481 -4.886 -1.400 1.00 0.00 H new ATOM 0 HB3 PHE T 77 81.271 -5.953 -2.084 1.00 0.00 H new ATOM 0 HD1 PHE T 77 81.780 -2.360 -1.112 1.00 0.00 H new ATOM 0 HD2 PHE T 77 79.771 -5.124 -3.715 1.00 0.00 H new ATOM 0 HE1 PHE T 77 80.846 -0.463 -2.407 1.00 0.00 H new ATOM 0 HE2 PHE T 77 78.840 -3.226 -5.011 1.00 0.00 H new ATOM 0 HZ PHE T 77 79.378 -0.895 -4.356 1.00 0.00 H new ATOM 1170 N LEU T 78 78.747 -6.257 -1.006 1.00 0.00 N ATOM 1171 CA LEU T 78 77.321 -6.440 -1.250 1.00 0.00 C ATOM 1172 C LEU T 78 76.536 -6.287 0.049 1.00 0.00 C ATOM 1173 O LEU T 78 75.331 -6.039 0.033 1.00 0.00 O ATOM 1174 CB LEU T 78 77.062 -7.829 -1.844 1.00 0.00 C ATOM 1175 CG LEU T 78 77.933 -8.041 -3.090 1.00 0.00 C ATOM 1176 CD1 LEU T 78 77.892 -9.517 -3.489 1.00 0.00 C ATOM 1177 CD2 LEU T 78 77.411 -7.186 -4.255 1.00 0.00 C ATOM 0 H LEU T 78 79.339 -7.011 -1.354 1.00 0.00 H new ATOM 0 HA LEU T 78 76.992 -5.678 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU T 78 77.282 -8.597 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU T 78 76.009 -7.931 -2.106 1.00 0.00 H new ATOM 0 HG LEU T 78 78.957 -7.745 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU T 78 78.509 -9.672 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU T 78 78.273 -10.126 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU T 78 76.864 -9.806 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU T 78 78.037 -7.346 -5.133 1.00 0.00 H new ATOM 0 HD22 LEU T 78 76.385 -7.472 -4.485 1.00 0.00 H new ATOM 0 HD23 LEU T 78 77.440 -6.133 -3.975 1.00 0.00 H new ATOM 1189 N VAL T 79 77.229 -6.438 1.174 1.00 0.00 N ATOM 1190 CA VAL T 79 76.589 -6.314 2.479 1.00 0.00 C ATOM 1191 C VAL T 79 76.419 -4.844 2.854 1.00 0.00 C ATOM 1192 O VAL T 79 75.557 -4.495 3.660 1.00 0.00 O ATOM 1193 CB VAL T 79 77.431 -7.020 3.543 1.00 0.00 C ATOM 1194 CG1 VAL T 79 76.728 -6.925 4.898 1.00 0.00 C ATOM 1195 CG2 VAL T 79 77.603 -8.492 3.161 1.00 0.00 C ATOM 0 H VAL T 79 78.227 -6.645 1.208 1.00 0.00 H new ATOM 0 HA VAL T 79 75.605 -6.781 2.427 1.00 0.00 H new ATOM 0 HB VAL T 79 78.409 -6.543 3.608 1.00 0.00 H new ATOM 0 HG11 VAL T 79 77.329 -7.428 5.656 1.00 0.00 H new ATOM 0 HG12 VAL T 79 76.604 -5.877 5.171 1.00 0.00 H new ATOM 0 HG13 VAL T 79 75.750 -7.402 4.835 1.00 0.00 H new ATOM 0 HG21 VAL T 79 78.203 -8.997 3.918 1.00 0.00 H new ATOM 0 HG22 VAL T 79 76.625 -8.968 3.097 1.00 0.00 H new ATOM 0 HG23 VAL T 79 78.104 -8.561 2.196 1.00 0.00 H new ATOM 1205 N MET T 80 77.248 -3.990 2.263 1.00 0.00 N ATOM 1206 CA MET T 80 77.182 -2.559 2.543 1.00 0.00 C ATOM 1207 C MET T 80 75.944 -1.942 1.900 1.00 0.00 C ATOM 1208 O MET T 80 75.289 -1.082 2.491 1.00 0.00 O ATOM 1209 CB MET T 80 78.438 -1.864 2.009 1.00 0.00 C ATOM 1210 CG MET T 80 78.570 -0.470 2.632 1.00 0.00 C ATOM 1211 SD MET T 80 79.641 0.556 1.593 1.00 0.00 S ATOM 1212 CE MET T 80 81.223 -0.121 2.153 1.00 0.00 C ATOM 0 H MET T 80 77.968 -4.260 1.593 1.00 0.00 H new ATOM 0 HA MET T 80 77.122 -2.422 3.623 1.00 0.00 H new ATOM 0 HB2 MET T 80 79.320 -2.460 2.241 1.00 0.00 H new ATOM 0 HB3 MET T 80 78.385 -1.783 0.923 1.00 0.00 H new ATOM 0 HG2 MET T 80 77.587 -0.008 2.728 1.00 0.00 H new ATOM 0 HG3 MET T 80 78.985 -0.547 3.637 1.00 0.00 H new ATOM 0 HE1 MET T 80 82.033 0.315 1.568 1.00 0.00 H new ATOM 0 HE2 MET T 80 81.368 0.117 3.207 1.00 0.00 H new ATOM 0 HE3 MET T 80 81.223 -1.203 2.022 1.00 0.00 H new ATOM 1222 N MET T 81 75.627 -2.384 0.687 1.00 0.00 N ATOM 1223 CA MET T 81 74.465 -1.865 -0.026 1.00 0.00 C ATOM 1224 C MET T 81 73.178 -2.459 0.538 1.00 0.00 C ATOM 1225 O MET T 81 72.302 -1.733 1.009 1.00 0.00 O ATOM 1226 CB MET T 81 74.570 -2.198 -1.517 1.00 0.00 C ATOM 1227 CG MET T 81 75.688 -1.369 -2.154 1.00 0.00 C ATOM 1228 SD MET T 81 77.290 -1.930 -1.519 1.00 0.00 S ATOM 1229 CE MET T 81 78.072 -0.305 -1.352 1.00 0.00 C ATOM 0 H MET T 81 76.154 -3.095 0.180 1.00 0.00 H new ATOM 0 HA MET T 81 74.441 -0.783 0.103 1.00 0.00 H new ATOM 0 HB2 MET T 81 74.772 -3.261 -1.649 1.00 0.00 H new ATOM 0 HB3 MET T 81 73.622 -1.990 -2.013 1.00 0.00 H new ATOM 0 HG2 MET T 81 75.658 -1.471 -3.239 1.00 0.00 H new ATOM 0 HG3 MET T 81 75.545 -0.312 -1.929 1.00 0.00 H new ATOM 0 HE1 MET T 81 78.983 -0.399 -0.761 1.00 0.00 H new ATOM 0 HE2 MET T 81 78.319 0.083 -2.340 1.00 0.00 H new ATOM 0 HE3 MET T 81 77.385 0.380 -0.854 1.00 0.00 H new ATOM 1239 N VAL T 82 73.068 -3.783 0.484 1.00 0.00 N ATOM 1240 CA VAL T 82 71.881 -4.464 0.989 1.00 0.00 C ATOM 1241 C VAL T 82 71.465 -3.894 2.343 1.00 0.00 C ATOM 1242 O VAL T 82 70.286 -3.635 2.581 1.00 0.00 O ATOM 1243 CB VAL T 82 72.158 -5.962 1.126 1.00 0.00 C ATOM 1244 CG1 VAL T 82 70.939 -6.656 1.737 1.00 0.00 C ATOM 1245 CG2 VAL T 82 72.443 -6.556 -0.256 1.00 0.00 C ATOM 0 H VAL T 82 73.781 -4.402 0.098 1.00 0.00 H new ATOM 0 HA VAL T 82 71.068 -4.307 0.280 1.00 0.00 H new ATOM 0 HB VAL T 82 73.022 -6.112 1.773 1.00 0.00 H new ATOM 0 HG11 VAL T 82 71.138 -7.723 1.834 1.00 0.00 H new ATOM 0 HG12 VAL T 82 70.736 -6.234 2.721 1.00 0.00 H new ATOM 0 HG13 VAL T 82 70.073 -6.506 1.092 1.00 0.00 H new ATOM 0 HG21 VAL T 82 72.641 -7.624 -0.159 1.00 0.00 H new ATOM 0 HG22 VAL T 82 71.579 -6.404 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL T 82 73.313 -6.064 -0.691 1.00 0.00 H new ATOM 1255 N ARG T 83 72.440 -3.703 3.225 1.00 0.00 N ATOM 1256 CA ARG T 83 72.158 -3.164 4.552 1.00 0.00 C ATOM 1257 C ARG T 83 71.774 -1.691 4.461 1.00 0.00 C ATOM 1258 O ARG T 83 70.671 -1.303 4.848 1.00 0.00 O ATOM 1259 CB ARG T 83 73.388 -3.317 5.450 1.00 0.00 C ATOM 1260 CG ARG T 83 73.565 -4.789 5.833 1.00 0.00 C ATOM 1261 CD ARG T 83 74.722 -4.922 6.825 1.00 0.00 C ATOM 1262 NE ARG T 83 74.316 -4.443 8.140 1.00 0.00 N ATOM 1263 CZ ARG T 83 75.213 -4.219 9.097 1.00 0.00 C ATOM 1264 NH1 ARG T 83 76.479 -4.428 8.865 1.00 0.00 N ATOM 1265 NH2 ARG T 83 74.826 -3.790 10.266 1.00 0.00 N ATOM 0 H ARG T 83 73.423 -3.911 3.049 1.00 0.00 H new ATOM 0 HA ARG T 83 71.324 -3.720 4.980 1.00 0.00 H new ATOM 0 HB2 ARG T 83 74.276 -2.956 4.931 1.00 0.00 H new ATOM 0 HB3 ARG T 83 73.274 -2.709 6.347 1.00 0.00 H new ATOM 0 HG2 ARG T 83 72.646 -5.174 6.276 1.00 0.00 H new ATOM 0 HG3 ARG T 83 73.764 -5.386 4.943 1.00 0.00 H new ATOM 0 HD2 ARG T 83 75.036 -5.964 6.891 1.00 0.00 H new ATOM 0 HD3 ARG T 83 75.581 -4.352 6.472 1.00 0.00 H new ATOM 0 HE ARG T 83 73.328 -4.277 8.330 1.00 0.00 H new ATOM 0 HH11 ARG T 83 76.781 -4.763 7.950 1.00 0.00 H new ATOM 0 HH12 ARG T 83 77.167 -4.256 9.598 1.00 0.00 H new ATOM 0 HH21 ARG T 83 73.836 -3.626 10.447 1.00 0.00 H new ATOM 0 HH22 ARG T 83 75.514 -3.618 11.000 1.00 0.00 H new ATOM 1279 N SER T 84 72.689 -0.875 3.947 1.00 0.00 N ATOM 1280 CA SER T 84 72.434 0.555 3.811 1.00 0.00 C ATOM 1281 C SER T 84 71.054 0.799 3.208 1.00 0.00 C ATOM 1282 O SER T 84 70.329 1.696 3.637 1.00 0.00 O ATOM 1283 CB SER T 84 73.502 1.192 2.922 1.00 0.00 C ATOM 1284 OG SER T 84 74.737 1.228 3.624 1.00 0.00 O ATOM 0 H SER T 84 73.607 -1.176 3.620 1.00 0.00 H new ATOM 0 HA SER T 84 72.469 1.008 4.802 1.00 0.00 H new ATOM 0 HB2 SER T 84 73.611 0.622 2.000 1.00 0.00 H new ATOM 0 HB3 SER T 84 73.202 2.201 2.639 1.00 0.00 H new ATOM 0 HG SER T 84 75.315 0.504 3.306 1.00 0.00 H new ATOM 1290 N MET T 85 70.699 -0.003 2.209 1.00 0.00 N ATOM 1291 CA MET T 85 69.404 0.136 1.555 1.00 0.00 C ATOM 1292 C MET T 85 68.275 -0.230 2.514 1.00 0.00 C ATOM 1293 O MET T 85 67.564 0.642 3.013 1.00 0.00 O ATOM 1294 CB MET T 85 69.342 -0.768 0.322 1.00 0.00 C ATOM 1295 CG MET T 85 70.233 -0.191 -0.780 1.00 0.00 C ATOM 1296 SD MET T 85 70.229 -1.306 -2.205 1.00 0.00 S ATOM 1297 CE MET T 85 71.424 -0.394 -3.211 1.00 0.00 C ATOM 0 H MET T 85 71.285 -0.750 1.837 1.00 0.00 H new ATOM 0 HA MET T 85 69.283 1.175 1.250 1.00 0.00 H new ATOM 0 HB2 MET T 85 69.670 -1.775 0.580 1.00 0.00 H new ATOM 0 HB3 MET T 85 68.314 -0.848 -0.032 1.00 0.00 H new ATOM 0 HG2 MET T 85 69.873 0.795 -1.075 1.00 0.00 H new ATOM 0 HG3 MET T 85 71.250 -0.061 -0.409 1.00 0.00 H new ATOM 0 HE1 MET T 85 71.724 -1.005 -4.063 1.00 0.00 H new ATOM 0 HE2 MET T 85 70.969 0.529 -3.569 1.00 0.00 H new ATOM 0 HE3 MET T 85 72.301 -0.156 -2.608 1.00 0.00 H new ATOM 1307 N LYS T 86 68.117 -1.525 2.767 1.00 0.00 N ATOM 1308 CA LYS T 86 67.072 -1.994 3.669 1.00 0.00 C ATOM 1309 C LYS T 86 67.281 -1.430 5.071 1.00 0.00 C ATOM 1310 O LYS T 86 66.517 -0.580 5.528 1.00 0.00 O ATOM 1311 CB LYS T 86 67.078 -3.523 3.726 1.00 0.00 C ATOM 1312 CG LYS T 86 65.811 -4.013 4.431 1.00 0.00 C ATOM 1313 CD LYS T 86 65.787 -5.543 4.433 1.00 0.00 C ATOM 1314 CE LYS T 86 64.411 -6.030 4.890 1.00 0.00 C ATOM 1315 NZ LYS T 86 64.198 -5.649 6.316 1.00 0.00 N ATOM 0 H LYS T 86 68.694 -2.263 2.364 1.00 0.00 H new ATOM 0 HA LYS T 86 66.110 -1.649 3.290 1.00 0.00 H new ATOM 0 HB2 LYS T 86 67.128 -3.935 2.718 1.00 0.00 H new ATOM 0 HB3 LYS T 86 67.962 -3.874 4.258 1.00 0.00 H new ATOM 0 HG2 LYS T 86 65.783 -3.637 5.454 1.00 0.00 H new ATOM 0 HG3 LYS T 86 64.927 -3.626 3.924 1.00 0.00 H new ATOM 0 HD2 LYS T 86 66.006 -5.922 3.435 1.00 0.00 H new ATOM 0 HD3 LYS T 86 66.560 -5.929 5.097 1.00 0.00 H new ATOM 0 HE2 LYS T 86 63.632 -5.592 4.265 1.00 0.00 H new ATOM 0 HE3 LYS T 86 64.340 -7.112 4.777 1.00 0.00 H new ATOM 0 HZ1 LYS T 86 63.354 -6.134 6.683 1.00 0.00 H new ATOM 0 HZ2 LYS T 86 65.028 -5.926 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS T 86 64.062 -4.620 6.384 1.00 0.00 H new ATOM 1329 N ASP T 87 68.320 -1.909 5.747 1.00 0.00 N ATOM 1330 CA ASP T 87 68.619 -1.445 7.096 1.00 0.00 C ATOM 1331 C ASP T 87 69.190 -0.031 7.062 1.00 0.00 C ATOM 1332 O ASP T 87 70.339 0.194 7.443 1.00 0.00 O ATOM 1333 CB ASP T 87 69.624 -2.387 7.762 1.00 0.00 C ATOM 1334 CG ASP T 87 69.100 -3.818 7.725 1.00 0.00 C ATOM 1335 OD1 ASP T 87 69.385 -4.508 6.760 1.00 0.00 O ATOM 1336 OD2 ASP T 87 68.421 -4.205 8.662 1.00 0.00 O ATOM 0 H ASP T 87 68.964 -2.613 5.386 1.00 0.00 H new ATOM 0 HA ASP T 87 67.693 -1.437 7.671 1.00 0.00 H new ATOM 0 HB2 ASP T 87 70.584 -2.329 7.249 1.00 0.00 H new ATOM 0 HB3 ASP T 87 69.794 -2.080 8.794 1.00 0.00 H new ATOM 1341 N ASP T 88 68.380 0.917 6.604 1.00 0.00 N ATOM 1342 CA ASP T 88 68.816 2.307 6.524 1.00 0.00 C ATOM 1343 C ASP T 88 69.045 2.878 7.920 1.00 0.00 C ATOM 1344 O ASP T 88 68.193 2.753 8.800 1.00 0.00 O ATOM 1345 CB ASP T 88 67.762 3.144 5.796 1.00 0.00 C ATOM 1346 CG ASP T 88 66.417 3.019 6.503 1.00 0.00 C ATOM 1347 OD1 ASP T 88 66.010 1.899 6.765 1.00 0.00 O ATOM 1348 OD2 ASP T 88 65.814 4.045 6.772 1.00 0.00 O ATOM 0 H ASP T 88 67.426 0.751 6.285 1.00 0.00 H new ATOM 0 HA ASP T 88 69.754 2.342 5.970 1.00 0.00 H new ATOM 0 HB2 ASP T 88 68.071 4.189 5.768 1.00 0.00 H new ATOM 0 HB3 ASP T 88 67.671 2.810 4.762 1.00 0.00 H new ATOM 1353 N SER T 89 70.201 3.504 8.116 1.00 0.00 N ATOM 1354 CA SER T 89 70.532 4.091 9.409 1.00 0.00 C ATOM 1355 C SER T 89 71.687 5.077 9.271 1.00 0.00 C ATOM 1356 O SER T 89 72.566 4.820 8.465 1.00 0.00 O ATOM 1357 CB SER T 89 70.915 2.989 10.398 1.00 0.00 C ATOM 1358 OG SER T 89 72.262 2.601 10.170 1.00 0.00 O ATOM 1359 OXT SER T 89 71.676 6.074 9.973 1.00 0.00 O ATOM 0 H SER T 89 70.920 3.617 7.401 1.00 0.00 H new ATOM 0 HA SER T 89 69.657 4.625 9.780 1.00 0.00 H new ATOM 0 HB2 SER T 89 70.795 3.345 11.421 1.00 0.00 H new ATOM 0 HB3 SER T 89 70.252 2.132 10.279 1.00 0.00 H new ATOM 0 HG SER T 89 72.511 1.896 10.804 1.00 0.00 H new TER 1365 SER T 89 HETATM 1366 CA CA T 90 87.387 -6.456 5.343 1.00 0.00 CA HETATM 1367 S1 WW7 T 91 80.277 3.442 -4.910 1.00 0.00 S HETATM 1368 O1 WW7 T 91 80.955 3.042 -6.099 1.00 0.00 O HETATM 1369 O2 WW7 T 91 79.640 4.737 -4.931 1.00 0.00 O HETATM 1370 N1 WW7 T 91 79.038 2.256 -4.625 1.00 0.00 N HETATM 1371 C4 WW7 T 91 83.238 3.437 -1.237 1.00 0.00 C HETATM 1372 C3 WW7 T 91 82.327 4.545 -1.477 1.00 0.00 C HETATM 1373 C2 WW7 T 91 81.419 4.535 -2.624 1.00 0.00 C HETATM 1374 C1 WW7 T 91 81.402 3.410 -3.551 1.00 0.00 C HETATM 1375 C9 WW7 T 91 82.306 2.287 -3.342 1.00 0.00 C HETATM 1376 C10 WW7 T 91 83.246 2.301 -2.154 1.00 0.00 C HETATM 1377 CL1 WW7 T 91 85.226 1.089 -0.603 1.00 0.00 CL HETATM 1378 C5 WW7 T 91 84.137 1.169 -1.941 1.00 0.00 C HETATM 1379 C6 WW7 T 91 84.123 0.041 -2.860 1.00 0.00 C HETATM 1380 C7 WW7 T 91 83.213 0.033 -4.008 1.00 0.00 C HETATM 1381 C8 WW7 T 91 82.308 1.146 -4.252 1.00 0.00 C HETATM 1382 C11 WW7 T 91 77.652 2.710 -4.702 1.00 0.00 C HETATM 1383 C12 WW7 T 91 76.841 2.440 -3.436 1.00 0.00 C HETATM 1384 C14 WW7 T 91 78.598 2.945 -1.725 1.00 0.00 C HETATM 1385 C13 WW7 T 91 77.268 3.401 -2.325 1.00 0.00 C HETATM 1386 C15 WW7 T 91 78.505 2.951 -0.195 1.00 0.00 C HETATM 1387 C16 WW7 T 91 79.647 3.783 0.395 1.00 0.00 C HETATM 1388 N2 WW7 T 91 79.835 3.554 1.818 1.00 0.00 N HETATM 0 HN22 WW7 T 91 80.568 4.053 2.322 1.00 0.00 H new HETATM 0 HN21 WW7 T 91 79.234 2.894 2.312 1.00 0.00 H new HETATM 0 H162 WW7 T 91 80.572 3.547 -0.131 1.00 0.00 H new HETATM 0 H161 WW7 T 91 79.445 4.841 0.226 1.00 0.00 H new HETATM 0 H152 WW7 T 91 77.545 3.362 0.118 1.00 0.00 H new HETATM 0 H151 WW7 T 91 78.554 1.930 0.185 1.00 0.00 H new HETATM 0 H142 WW7 T 91 78.844 1.944 -2.080 1.00 0.00 H new HETATM 0 H141 WW7 T 91 79.401 3.605 -2.053 1.00 0.00 H new HETATM 0 H132 WW7 T 91 77.366 4.411 -2.724 1.00 0.00 H new HETATM 0 H131 WW7 T 91 76.503 3.437 -1.550 1.00 0.00 H new HETATM 0 H122 WW7 T 91 75.778 2.560 -3.643 1.00 0.00 H new HETATM 0 H121 WW7 T 91 76.988 1.409 -3.113 1.00 0.00 H new HETATM 0 H112 WW7 T 91 77.641 3.780 -4.907 1.00 0.00 H new HETATM 0 H111 WW7 T 91 77.165 2.219 -5.545 1.00 0.00 H new HETATM 0 HN1 WW7 T 91 79.269 1.285 -4.413 1.00 0.00 H new HETATM 0 H8 WW7 T 91 81.635 1.128 -5.110 1.00 0.00 H new HETATM 0 H7 WW7 T 91 83.214 -0.818 -4.689 1.00 0.00 H new HETATM 0 H6 WW7 T 91 84.793 -0.802 -2.693 1.00 0.00 H new HETATM 0 H4 WW7 T 91 83.910 3.455 -0.379 1.00 0.00 H new HETATM 0 H3 WW7 T 91 82.321 5.394 -0.793 1.00 0.00 H new HETATM 0 H2 WW7 T 91 80.748 5.378 -2.787 1.00 0.00 H new