USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 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 Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 8 THR OG1 : rot -86:sc= 1.29 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.0444 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.0259 USER MOD Single : A 14 HIS : no HE2:sc= 0.037 K(o=0.037,f=-1.5) USER MOD Single : A 15 THR OG1 : rot -42:sc= 0.813 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0642 X(o=-0.064,f=-0.24) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -122:sc= 0.23 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl -178:sc= -0.0269 (180deg=-0.0438) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -157:sc= -0.11 (180deg=-0.755) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0545 K(o=-0.055,f=-1.3!) USER MOD Single : A 72 MET CE :methyl -161:sc= 0 (180deg=-0.322) USER MOD Single : A 74 ASN : amide:sc= 1.9 K(o=1.9,f=-0.27) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 96:sc= 1.26 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 94:sc= 1.61 USER MOD ----------------------------------------------------------------- ATOM 12 N GLY A 2 10.691 5.431 6.168 1.00 1.11 N ATOM 13 CA GLY A 2 9.228 5.542 6.028 1.00 0.71 C ATOM 14 C GLY A 2 8.390 5.571 7.318 1.00 0.89 C ATOM 15 O GLY A 2 7.178 5.775 7.250 1.00 0.96 O ATOM 0 HA2 GLY A 2 9.012 6.451 5.466 1.00 0.71 H new ATOM 0 HA3 GLY A 2 8.884 4.704 5.422 1.00 0.71 H new ATOM 19 N GLU A 3 8.989 5.369 8.495 1.00 1.08 N ATOM 20 CA GLU A 3 8.259 4.987 9.715 1.00 1.12 C ATOM 21 C GLU A 3 7.331 6.087 10.259 1.00 1.11 C ATOM 22 O GLU A 3 6.161 5.823 10.542 1.00 1.06 O ATOM 23 CB GLU A 3 9.276 4.512 10.763 1.00 1.30 C ATOM 24 CG GLU A 3 8.613 4.052 12.069 1.00 1.58 C ATOM 25 CD GLU A 3 9.593 3.289 12.964 1.00 2.09 C ATOM 26 OE1 GLU A 3 10.748 3.744 13.157 1.00 2.76 O ATOM 27 OE2 GLU A 3 9.219 2.200 13.465 1.00 2.80 O ATOM 0 H GLU A 3 9.995 5.465 8.633 1.00 1.08 H new ATOM 0 HA GLU A 3 7.580 4.173 9.461 1.00 1.12 H new ATOM 0 HB2 GLU A 3 9.861 3.691 10.349 1.00 1.30 H new ATOM 0 HB3 GLU A 3 9.973 5.322 10.980 1.00 1.30 H new ATOM 0 HG2 GLU A 3 8.228 4.919 12.607 1.00 1.58 H new ATOM 0 HG3 GLU A 3 7.759 3.415 11.839 1.00 1.58 H new ATOM 34 N GLN A 4 7.813 7.335 10.342 1.00 1.21 N ATOM 35 CA GLN A 4 6.994 8.480 10.764 1.00 1.30 C ATOM 36 C GLN A 4 5.813 8.719 9.807 1.00 1.16 C ATOM 37 O GLN A 4 4.720 9.079 10.246 1.00 1.23 O ATOM 38 CB GLN A 4 7.907 9.717 10.855 1.00 1.55 C ATOM 39 CG GLN A 4 7.189 11.030 11.215 1.00 3.31 C ATOM 40 CD GLN A 4 6.562 11.074 12.607 1.00 3.91 C ATOM 41 OE1 GLN A 4 6.898 10.315 13.506 1.00 3.67 O ATOM 42 NE2 GLN A 4 5.675 12.008 12.848 1.00 5.74 N ATOM 0 H GLN A 4 8.778 7.579 10.119 1.00 1.21 H new ATOM 0 HA GLN A 4 6.555 8.274 11.740 1.00 1.30 H new ATOM 0 HB2 GLN A 4 8.679 9.526 11.601 1.00 1.55 H new ATOM 0 HB3 GLN A 4 8.413 9.848 9.899 1.00 1.55 H new ATOM 0 HG2 GLN A 4 7.903 11.849 11.131 1.00 3.31 H new ATOM 0 HG3 GLN A 4 6.407 11.211 10.477 1.00 3.31 H new ATOM 0 HE21 GLN A 4 5.390 12.645 12.104 1.00 5.74 H new ATOM 0 HE22 GLN A 4 5.270 12.098 13.780 1.00 5.74 H new ATOM 51 N ILE A 5 6.005 8.481 8.504 1.00 1.05 N ATOM 52 CA ILE A 5 4.947 8.616 7.490 1.00 0.97 C ATOM 53 C ILE A 5 3.893 7.525 7.698 1.00 0.87 C ATOM 54 O ILE A 5 2.699 7.825 7.719 1.00 0.92 O ATOM 55 CB ILE A 5 5.524 8.574 6.053 1.00 0.92 C ATOM 56 CG1 ILE A 5 6.715 9.550 5.887 1.00 0.91 C ATOM 57 CG2 ILE A 5 4.405 8.904 5.043 1.00 0.99 C ATOM 58 CD1 ILE A 5 7.362 9.494 4.501 1.00 1.01 C ATOM 0 H ILE A 5 6.903 8.188 8.119 1.00 1.05 H new ATOM 0 HA ILE A 5 4.474 9.591 7.611 1.00 0.97 H new ATOM 0 HB ILE A 5 5.903 7.570 5.862 1.00 0.92 H new ATOM 0 HG12 ILE A 5 6.371 10.566 6.078 1.00 0.91 H new ATOM 0 HG13 ILE A 5 7.469 9.322 6.641 1.00 0.91 H new ATOM 0 HG21 ILE A 5 4.808 8.875 4.031 1.00 0.99 H new ATOM 0 HG22 ILE A 5 3.604 8.171 5.135 1.00 0.99 H new ATOM 0 HG23 ILE A 5 4.011 9.899 5.248 1.00 0.99 H new ATOM 0 HD11 ILE A 5 8.188 10.203 4.456 1.00 1.01 H new ATOM 0 HD12 ILE A 5 7.737 8.488 4.315 1.00 1.01 H new ATOM 0 HD13 ILE A 5 6.622 9.751 3.743 1.00 1.01 H new ATOM 70 N PHE A 6 4.308 6.276 7.941 1.00 0.79 N ATOM 71 CA PHE A 6 3.366 5.193 8.220 1.00 0.73 C ATOM 72 C PHE A 6 2.553 5.464 9.493 1.00 0.78 C ATOM 73 O PHE A 6 1.325 5.380 9.447 1.00 0.84 O ATOM 74 CB PHE A 6 4.084 3.840 8.281 1.00 0.73 C ATOM 75 CG PHE A 6 3.107 2.677 8.305 1.00 0.85 C ATOM 76 CD1 PHE A 6 2.587 2.175 7.097 1.00 1.74 C ATOM 77 CD2 PHE A 6 2.689 2.116 9.530 1.00 1.24 C ATOM 78 CE1 PHE A 6 1.648 1.128 7.110 1.00 1.98 C ATOM 79 CE2 PHE A 6 1.748 1.070 9.541 1.00 1.37 C ATOM 80 CZ PHE A 6 1.227 0.576 8.333 1.00 1.41 C ATOM 0 H PHE A 6 5.288 5.994 7.949 1.00 0.79 H new ATOM 0 HA PHE A 6 2.656 5.151 7.394 1.00 0.73 H new ATOM 0 HB2 PHE A 6 4.744 3.741 7.419 1.00 0.73 H new ATOM 0 HB3 PHE A 6 4.713 3.803 9.170 1.00 0.73 H new ATOM 0 HD1 PHE A 6 2.910 2.596 6.156 1.00 1.74 H new ATOM 0 HD2 PHE A 6 3.092 2.490 10.460 1.00 1.24 H new ATOM 0 HE1 PHE A 6 1.250 0.748 6.181 1.00 1.98 H new ATOM 0 HE2 PHE A 6 1.425 0.646 10.480 1.00 1.37 H new ATOM 0 HZ PHE A 6 0.504 -0.226 8.344 1.00 1.41 H new ATOM 90 N ARG A 7 3.193 5.871 10.604 1.00 0.85 N ATOM 91 CA ARG A 7 2.482 6.168 11.864 1.00 1.01 C ATOM 92 C ARG A 7 1.561 7.393 11.781 1.00 1.10 C ATOM 93 O ARG A 7 0.583 7.447 12.524 1.00 1.28 O ATOM 94 CB ARG A 7 3.528 6.289 12.985 1.00 1.09 C ATOM 95 CG ARG A 7 2.880 6.421 14.374 1.00 1.45 C ATOM 96 CD ARG A 7 3.852 6.096 15.516 1.00 1.89 C ATOM 97 NE ARG A 7 4.185 4.661 15.575 1.00 2.34 N ATOM 98 CZ ARG A 7 3.402 3.686 16.076 1.00 3.29 C ATOM 99 NH1 ARG A 7 2.197 3.944 16.609 1.00 4.14 N ATOM 100 NH2 ARG A 7 3.832 2.417 16.039 1.00 4.62 N ATOM 0 H ARG A 7 4.203 6.002 10.656 1.00 0.85 H new ATOM 0 HA ARG A 7 1.799 5.346 12.081 1.00 1.01 H new ATOM 0 HB2 ARG A 7 4.176 5.413 12.970 1.00 1.09 H new ATOM 0 HB3 ARG A 7 4.160 7.157 12.797 1.00 1.09 H new ATOM 0 HG2 ARG A 7 2.505 7.437 14.500 1.00 1.45 H new ATOM 0 HG3 ARG A 7 2.020 5.754 14.434 1.00 1.45 H new ATOM 0 HD2 ARG A 7 4.767 6.674 15.387 1.00 1.89 H new ATOM 0 HD3 ARG A 7 3.411 6.404 16.464 1.00 1.89 H new ATOM 0 HE ARG A 7 5.092 4.381 15.202 1.00 2.34 H new ATOM 0 HH11 ARG A 7 1.849 4.902 16.643 1.00 4.14 H new ATOM 0 HH12 ARG A 7 1.629 3.182 16.980 1.00 4.14 H new ATOM 0 HH21 ARG A 7 4.743 2.199 15.635 1.00 4.62 H new ATOM 0 HH22 ARG A 7 3.249 1.670 16.415 1.00 4.62 H new ATOM 114 N THR A 8 1.816 8.343 10.875 1.00 1.05 N ATOM 115 CA THR A 8 0.961 9.538 10.701 1.00 1.19 C ATOM 116 C THR A 8 -0.115 9.434 9.621 1.00 1.16 C ATOM 117 O THR A 8 -1.123 10.137 9.731 1.00 1.36 O ATOM 118 CB THR A 8 1.780 10.831 10.513 1.00 1.33 C ATOM 119 OG1 THR A 8 2.748 10.722 9.493 1.00 1.36 O ATOM 120 CG2 THR A 8 2.511 11.224 11.795 1.00 1.51 C ATOM 0 H THR A 8 2.615 8.312 10.241 1.00 1.05 H new ATOM 0 HA THR A 8 0.422 9.588 11.647 1.00 1.19 H new ATOM 0 HB THR A 8 1.048 11.591 10.238 1.00 1.33 H new ATOM 0 HG1 THR A 8 3.571 10.339 9.862 1.00 1.36 H new ATOM 0 HG21 THR A 8 3.078 12.139 11.625 1.00 1.51 H new ATOM 0 HG22 THR A 8 1.785 11.389 12.592 1.00 1.51 H new ATOM 0 HG23 THR A 8 3.192 10.424 12.085 1.00 1.51 H new ATOM 128 N ARG A 9 0.047 8.583 8.597 1.00 1.01 N ATOM 129 CA ARG A 9 -0.893 8.479 7.459 1.00 1.09 C ATOM 130 C ARG A 9 -1.580 7.117 7.311 1.00 0.96 C ATOM 131 O ARG A 9 -2.692 7.061 6.786 1.00 1.16 O ATOM 132 CB ARG A 9 -0.148 8.810 6.148 1.00 1.34 C ATOM 133 CG ARG A 9 0.581 10.165 6.102 1.00 1.23 C ATOM 134 CD ARG A 9 -0.352 11.364 6.304 1.00 1.76 C ATOM 135 NE ARG A 9 0.393 12.626 6.168 1.00 1.96 N ATOM 136 CZ ARG A 9 0.155 13.767 6.840 1.00 2.88 C ATOM 137 NH1 ARG A 9 -0.843 13.873 7.731 1.00 3.87 N ATOM 138 NH2 ARG A 9 0.940 14.829 6.611 1.00 3.57 N ATOM 0 H ARG A 9 0.837 7.941 8.530 1.00 1.01 H new ATOM 0 HA ARG A 9 -1.687 9.195 7.669 1.00 1.09 H new ATOM 0 HB2 ARG A 9 0.582 8.022 5.961 1.00 1.34 H new ATOM 0 HB3 ARG A 9 -0.867 8.780 5.329 1.00 1.34 H new ATOM 0 HG2 ARG A 9 1.353 10.181 6.872 1.00 1.23 H new ATOM 0 HG3 ARG A 9 1.087 10.265 5.142 1.00 1.23 H new ATOM 0 HD2 ARG A 9 -1.160 11.331 5.573 1.00 1.76 H new ATOM 0 HD3 ARG A 9 -0.813 11.311 7.290 1.00 1.76 H new ATOM 0 HE ARG A 9 1.164 12.637 5.500 1.00 1.96 H new ATOM 0 HH11 ARG A 9 -1.449 13.073 7.916 1.00 3.87 H new ATOM 0 HH12 ARG A 9 -0.996 14.753 8.223 1.00 3.87 H new ATOM 0 HH21 ARG A 9 1.703 14.764 5.937 1.00 3.57 H new ATOM 0 HH22 ARG A 9 0.775 15.703 7.111 1.00 3.57 H new ATOM 152 N CYS A 10 -0.938 6.021 7.725 1.00 0.82 N ATOM 153 CA CYS A 10 -1.288 4.657 7.286 1.00 0.78 C ATOM 154 C CYS A 10 -1.373 3.608 8.412 1.00 0.75 C ATOM 155 O CYS A 10 -1.512 2.418 8.121 1.00 0.99 O ATOM 156 CB CYS A 10 -0.292 4.212 6.204 1.00 0.98 C ATOM 157 SG CYS A 10 -0.081 5.338 4.783 1.00 1.48 S ATOM 0 H CYS A 10 -0.155 6.050 8.378 1.00 0.82 H new ATOM 0 HA CYS A 10 -2.302 4.713 6.890 1.00 0.78 H new ATOM 0 HB2 CYS A 10 0.681 4.068 6.674 1.00 0.98 H new ATOM 0 HB3 CYS A 10 -0.610 3.240 5.826 1.00 0.98 H new ATOM 0 HG CYS A 10 0.787 4.835 3.956 1.00 1.48 H new ATOM 162 N SER A 11 -1.307 4.017 9.683 1.00 0.80 N ATOM 163 CA SER A 11 -1.275 3.115 10.847 1.00 0.90 C ATOM 164 C SER A 11 -2.667 2.667 11.321 1.00 1.03 C ATOM 165 O SER A 11 -2.808 1.585 11.893 1.00 1.94 O ATOM 166 CB SER A 11 -0.479 3.819 11.954 1.00 1.12 C ATOM 167 OG SER A 11 -0.576 3.215 13.227 1.00 2.07 O ATOM 0 H SER A 11 -1.273 5.003 9.940 1.00 0.80 H new ATOM 0 HA SER A 11 -0.787 2.183 10.561 1.00 0.90 H new ATOM 0 HB2 SER A 11 0.571 3.853 11.662 1.00 1.12 H new ATOM 0 HB3 SER A 11 -0.822 4.851 12.029 1.00 1.12 H new ATOM 0 HG SER A 11 -0.040 3.723 13.872 1.00 2.07 H new ATOM 173 N SER A 12 -3.717 3.447 11.043 1.00 1.18 N ATOM 174 CA SER A 12 -5.055 3.260 11.632 1.00 1.26 C ATOM 175 C SER A 12 -5.788 1.964 11.243 1.00 1.03 C ATOM 176 O SER A 12 -6.777 1.620 11.895 1.00 1.30 O ATOM 177 CB SER A 12 -5.959 4.433 11.250 1.00 1.72 C ATOM 178 OG SER A 12 -5.311 5.683 11.384 1.00 2.62 O ATOM 0 H SER A 12 -3.665 4.235 10.397 1.00 1.18 H new ATOM 0 HA SER A 12 -4.865 3.199 12.704 1.00 1.26 H new ATOM 0 HB2 SER A 12 -6.293 4.309 10.220 1.00 1.72 H new ATOM 0 HB3 SER A 12 -6.850 4.420 11.878 1.00 1.72 H new ATOM 0 HG SER A 12 -5.927 6.400 11.127 1.00 2.62 H new ATOM 184 N CYS A 13 -5.354 1.248 10.195 1.00 0.84 N ATOM 185 CA CYS A 13 -6.072 0.076 9.652 1.00 0.85 C ATOM 186 C CYS A 13 -5.215 -1.186 9.420 1.00 0.91 C ATOM 187 O CYS A 13 -5.773 -2.224 9.057 1.00 1.18 O ATOM 188 CB CYS A 13 -6.776 0.465 8.344 1.00 0.97 C ATOM 189 SG CYS A 13 -7.776 1.985 8.426 1.00 0.87 S ATOM 0 H CYS A 13 -4.491 1.463 9.695 1.00 0.84 H new ATOM 0 HA CYS A 13 -6.785 -0.203 10.428 1.00 0.85 H new ATOM 0 HB2 CYS A 13 -6.022 0.586 7.566 1.00 0.97 H new ATOM 0 HB3 CYS A 13 -7.420 -0.359 8.038 1.00 0.97 H new ATOM 0 HG CYS A 13 -8.318 2.211 7.266 1.00 0.87 H new ATOM 194 N HIS A 14 -3.890 -1.106 9.588 1.00 0.85 N ATOM 195 CA HIS A 14 -2.932 -2.199 9.353 1.00 0.91 C ATOM 196 C HIS A 14 -1.579 -1.968 10.041 1.00 0.79 C ATOM 197 O HIS A 14 -1.244 -0.863 10.467 1.00 1.21 O ATOM 198 CB HIS A 14 -2.686 -2.451 7.843 1.00 1.44 C ATOM 199 CG HIS A 14 -2.954 -1.314 6.900 1.00 0.62 C ATOM 200 ND1 HIS A 14 -2.644 0.012 7.068 1.00 2.21 N ATOM 201 CD2 HIS A 14 -3.556 -1.454 5.685 1.00 1.29 C ATOM 202 CE1 HIS A 14 -3.084 0.660 5.982 1.00 2.49 C ATOM 203 NE2 HIS A 14 -3.637 -0.186 5.081 1.00 0.77 N ATOM 0 H HIS A 14 -3.436 -0.248 9.903 1.00 0.85 H new ATOM 0 HA HIS A 14 -3.401 -3.079 9.794 1.00 0.91 H new ATOM 0 HB2 HIS A 14 -1.647 -2.755 7.717 1.00 1.44 H new ATOM 0 HB3 HIS A 14 -3.304 -3.295 7.537 1.00 1.44 H new ATOM 0 HD1 HIS A 14 -2.168 0.426 7.869 1.00 2.21 H new ATOM 0 HD2 HIS A 14 -3.910 -2.381 5.259 1.00 1.29 H new ATOM 0 HE1 HIS A 14 -3.007 1.728 5.842 1.00 2.49 H new ATOM 211 N THR A 15 -0.766 -3.025 10.032 1.00 0.80 N ATOM 212 CA THR A 15 0.673 -2.990 10.338 1.00 1.06 C ATOM 213 C THR A 15 1.472 -3.705 9.246 1.00 0.85 C ATOM 214 O THR A 15 0.908 -4.256 8.304 1.00 0.73 O ATOM 215 CB THR A 15 0.995 -3.592 11.714 1.00 1.71 C ATOM 216 OG1 THR A 15 0.903 -5.000 11.723 1.00 2.21 O ATOM 217 CG2 THR A 15 0.121 -3.044 12.836 1.00 1.90 C ATOM 0 H THR A 15 -1.098 -3.962 9.804 1.00 0.80 H new ATOM 0 HA THR A 15 0.966 -1.940 10.369 1.00 1.06 H new ATOM 0 HB THR A 15 2.026 -3.292 11.900 1.00 1.71 H new ATOM 0 HG1 THR A 15 0.110 -5.279 11.220 1.00 2.21 H new ATOM 0 HG21 THR A 15 0.403 -3.513 13.779 1.00 1.90 H new ATOM 0 HG22 THR A 15 0.259 -1.965 12.911 1.00 1.90 H new ATOM 0 HG23 THR A 15 -0.925 -3.261 12.621 1.00 1.90 H new ATOM 225 N VAL A 16 2.797 -3.719 9.357 1.00 1.02 N ATOM 226 CA VAL A 16 3.708 -4.389 8.413 1.00 1.06 C ATOM 227 C VAL A 16 4.405 -5.532 9.152 1.00 1.24 C ATOM 228 O VAL A 16 5.595 -5.515 9.462 1.00 1.82 O ATOM 229 CB VAL A 16 4.607 -3.358 7.706 1.00 1.22 C ATOM 230 CG1 VAL A 16 5.327 -3.996 6.513 1.00 1.84 C ATOM 231 CG2 VAL A 16 3.734 -2.198 7.180 1.00 1.58 C ATOM 0 H VAL A 16 3.287 -3.255 10.122 1.00 1.02 H new ATOM 0 HA VAL A 16 3.182 -4.860 7.583 1.00 1.06 H new ATOM 0 HB VAL A 16 5.344 -2.995 8.422 1.00 1.22 H new ATOM 0 HG11 VAL A 16 5.957 -3.251 6.027 1.00 1.84 H new ATOM 0 HG12 VAL A 16 5.946 -4.823 6.861 1.00 1.84 H new ATOM 0 HG13 VAL A 16 4.591 -4.369 5.801 1.00 1.84 H new ATOM 0 HG21 VAL A 16 4.366 -1.465 6.679 1.00 1.58 H new ATOM 0 HG22 VAL A 16 2.999 -2.586 6.475 1.00 1.58 H new ATOM 0 HG23 VAL A 16 3.219 -1.722 8.015 1.00 1.58 H new ATOM 241 N GLY A 17 3.577 -6.514 9.525 1.00 0.94 N ATOM 242 CA GLY A 17 3.941 -7.647 10.389 1.00 1.09 C ATOM 243 C GLY A 17 4.159 -7.298 11.872 1.00 1.55 C ATOM 244 O GLY A 17 4.724 -8.103 12.614 1.00 1.86 O ATOM 0 H GLY A 17 2.603 -6.545 9.225 1.00 0.94 H new ATOM 0 HA2 GLY A 17 3.157 -8.401 10.321 1.00 1.09 H new ATOM 0 HA3 GLY A 17 4.853 -8.100 10.001 1.00 1.09 H new ATOM 376 N PRO A 28 -5.381 -6.475 6.052 1.00 1.92 N ATOM 377 CA PRO A 28 -4.293 -7.428 6.265 1.00 1.63 C ATOM 378 C PRO A 28 -2.983 -6.710 6.612 1.00 1.28 C ATOM 379 O PRO A 28 -2.784 -5.550 6.242 1.00 1.50 O ATOM 380 CB PRO A 28 -4.170 -8.198 4.946 1.00 2.32 C ATOM 381 CG PRO A 28 -4.600 -7.156 3.912 1.00 2.83 C ATOM 382 CD PRO A 28 -5.725 -6.417 4.638 1.00 2.59 C ATOM 0 HA PRO A 28 -4.498 -8.092 7.105 1.00 1.63 H new ATOM 0 HB2 PRO A 28 -3.151 -8.545 4.773 1.00 2.32 H new ATOM 0 HB3 PRO A 28 -4.814 -9.077 4.928 1.00 2.32 H new ATOM 0 HG2 PRO A 28 -3.782 -6.488 3.644 1.00 2.83 H new ATOM 0 HG3 PRO A 28 -4.948 -7.619 2.989 1.00 2.83 H new ATOM 0 HD2 PRO A 28 -5.802 -5.385 4.295 1.00 2.59 H new ATOM 0 HD3 PRO A 28 -6.690 -6.888 4.449 1.00 2.59 H new ATOM 390 N ASP A 29 -2.064 -7.407 7.286 1.00 1.17 N ATOM 391 CA ASP A 29 -0.731 -6.857 7.535 1.00 1.06 C ATOM 392 C ASP A 29 0.137 -6.927 6.268 1.00 1.04 C ATOM 393 O ASP A 29 0.230 -7.966 5.608 1.00 1.66 O ATOM 394 CB ASP A 29 -0.058 -7.521 8.743 1.00 1.67 C ATOM 395 CG ASP A 29 -0.738 -7.183 10.072 1.00 2.83 C ATOM 396 OD1 ASP A 29 -1.151 -6.017 10.277 1.00 4.14 O ATOM 397 OD2 ASP A 29 -0.803 -8.083 10.945 1.00 3.54 O ATOM 0 H ASP A 29 -2.216 -8.342 7.665 1.00 1.17 H new ATOM 0 HA ASP A 29 -0.845 -5.803 7.790 1.00 1.06 H new ATOM 0 HB2 ASP A 29 -0.062 -8.602 8.605 1.00 1.67 H new ATOM 0 HB3 ASP A 29 0.986 -7.209 8.786 1.00 1.67 H new ATOM 402 N LEU A 30 0.786 -5.812 5.931 1.00 0.84 N ATOM 403 CA LEU A 30 1.345 -5.517 4.600 1.00 0.93 C ATOM 404 C LEU A 30 2.750 -6.098 4.365 1.00 1.00 C ATOM 405 O LEU A 30 3.486 -5.622 3.504 1.00 1.20 O ATOM 406 CB LEU A 30 1.329 -3.994 4.349 1.00 1.16 C ATOM 407 CG LEU A 30 0.038 -3.259 4.747 1.00 1.02 C ATOM 408 CD1 LEU A 30 0.208 -1.757 4.512 1.00 1.28 C ATOM 409 CD2 LEU A 30 -1.148 -3.738 3.911 1.00 1.30 C ATOM 0 H LEU A 30 0.946 -5.058 6.599 1.00 0.84 H new ATOM 0 HA LEU A 30 0.702 -6.019 3.878 1.00 0.93 H new ATOM 0 HB2 LEU A 30 2.161 -3.547 4.894 1.00 1.16 H new ATOM 0 HB3 LEU A 30 1.511 -3.819 3.289 1.00 1.16 H new ATOM 0 HG LEU A 30 -0.153 -3.468 5.800 1.00 1.02 H new ATOM 0 HD11 LEU A 30 -0.708 -1.239 4.795 1.00 1.28 H new ATOM 0 HD12 LEU A 30 1.036 -1.386 5.116 1.00 1.28 H new ATOM 0 HD13 LEU A 30 0.417 -1.575 3.458 1.00 1.28 H new ATOM 0 HD21 LEU A 30 -2.047 -3.201 4.214 1.00 1.30 H new ATOM 0 HD22 LEU A 30 -0.950 -3.548 2.856 1.00 1.30 H new ATOM 0 HD23 LEU A 30 -1.294 -4.807 4.066 1.00 1.30 H new ATOM 421 N LEU A 31 3.152 -7.090 5.156 1.00 1.06 N ATOM 422 CA LEU A 31 4.456 -7.739 5.031 1.00 1.20 C ATOM 423 C LEU A 31 4.504 -8.673 3.808 1.00 1.37 C ATOM 424 O LEU A 31 3.488 -9.250 3.418 1.00 2.04 O ATOM 425 CB LEU A 31 4.934 -8.252 6.403 1.00 1.15 C ATOM 426 CG LEU A 31 4.476 -9.636 6.874 1.00 2.42 C ATOM 427 CD1 LEU A 31 2.958 -9.728 6.868 1.00 4.64 C ATOM 428 CD2 LEU A 31 5.088 -10.740 6.019 1.00 3.09 C ATOM 0 H LEU A 31 2.577 -7.470 5.908 1.00 1.06 H new ATOM 0 HA LEU A 31 5.243 -7.031 4.771 1.00 1.20 H new ATOM 0 HB2 LEU A 31 6.024 -8.250 6.394 1.00 1.15 H new ATOM 0 HB3 LEU A 31 4.620 -7.527 7.154 1.00 1.15 H new ATOM 0 HG LEU A 31 4.825 -9.775 7.897 1.00 2.42 H new ATOM 0 HD11 LEU A 31 2.652 -10.718 7.206 1.00 4.64 H new ATOM 0 HD12 LEU A 31 2.545 -8.973 7.537 1.00 4.64 H new ATOM 0 HD13 LEU A 31 2.587 -9.559 5.857 1.00 4.64 H new ATOM 0 HD21 LEU A 31 4.745 -11.710 6.377 1.00 3.09 H new ATOM 0 HD22 LEU A 31 4.783 -10.608 4.981 1.00 3.09 H new ATOM 0 HD23 LEU A 31 6.175 -10.692 6.086 1.00 3.09 H new ATOM 440 N GLY A 32 5.662 -8.801 3.157 1.00 1.21 N ATOM 441 CA GLY A 32 5.871 -9.729 2.030 1.00 1.28 C ATOM 442 C GLY A 32 5.164 -9.378 0.711 1.00 1.23 C ATOM 443 O GLY A 32 5.493 -9.963 -0.319 1.00 1.26 O ATOM 0 H GLY A 32 6.493 -8.260 3.396 1.00 1.21 H new ATOM 0 HA2 GLY A 32 6.942 -9.794 1.836 1.00 1.28 H new ATOM 0 HA3 GLY A 32 5.542 -10.721 2.340 1.00 1.28 H new ATOM 447 N VAL A 33 4.255 -8.395 0.660 1.00 1.23 N ATOM 448 CA VAL A 33 3.585 -7.977 -0.583 1.00 1.23 C ATOM 449 C VAL A 33 4.576 -7.493 -1.656 1.00 1.04 C ATOM 450 O VAL A 33 4.320 -7.646 -2.845 1.00 1.13 O ATOM 451 CB VAL A 33 2.501 -6.924 -0.289 1.00 1.36 C ATOM 452 CG1 VAL A 33 1.485 -7.431 0.744 1.00 2.55 C ATOM 453 CG2 VAL A 33 3.066 -5.576 0.172 1.00 2.10 C ATOM 0 H VAL A 33 3.962 -7.865 1.481 1.00 1.23 H new ATOM 0 HA VAL A 33 3.098 -8.859 -1.000 1.00 1.23 H new ATOM 0 HB VAL A 33 2.000 -6.760 -1.243 1.00 1.36 H new ATOM 0 HG11 VAL A 33 0.736 -6.661 0.926 1.00 2.55 H new ATOM 0 HG12 VAL A 33 0.998 -8.329 0.364 1.00 2.55 H new ATOM 0 HG13 VAL A 33 1.999 -7.664 1.676 1.00 2.55 H new ATOM 0 HG21 VAL A 33 2.246 -4.883 0.361 1.00 2.10 H new ATOM 0 HG22 VAL A 33 3.641 -5.716 1.088 1.00 2.10 H new ATOM 0 HG23 VAL A 33 3.714 -5.168 -0.604 1.00 2.10 H new ATOM 463 N THR A 34 5.748 -7.020 -1.220 1.00 0.90 N ATOM 464 CA THR A 34 6.945 -6.662 -2.005 1.00 0.89 C ATOM 465 C THR A 34 7.473 -7.808 -2.887 1.00 0.96 C ATOM 466 O THR A 34 8.007 -7.555 -3.972 1.00 1.13 O ATOM 467 CB THR A 34 8.048 -6.218 -1.019 1.00 1.20 C ATOM 468 OG1 THR A 34 8.224 -7.235 -0.049 1.00 2.83 O ATOM 469 CG2 THR A 34 7.663 -4.951 -0.259 1.00 1.74 C ATOM 0 H THR A 34 5.902 -6.863 -0.224 1.00 0.90 H new ATOM 0 HA THR A 34 6.664 -5.861 -2.689 1.00 0.89 H new ATOM 0 HB THR A 34 8.950 -6.030 -1.602 1.00 1.20 H new ATOM 0 HG1 THR A 34 8.923 -6.967 0.583 1.00 2.83 H new ATOM 0 HG21 THR A 34 8.468 -4.677 0.422 1.00 1.74 H new ATOM 0 HG22 THR A 34 7.494 -4.139 -0.967 1.00 1.74 H new ATOM 0 HG23 THR A 34 6.751 -5.131 0.311 1.00 1.74 H new ATOM 477 N ARG A 35 7.281 -9.067 -2.463 1.00 1.02 N ATOM 478 CA ARG A 35 7.631 -10.297 -3.205 1.00 1.22 C ATOM 479 C ARG A 35 6.423 -11.074 -3.742 1.00 1.30 C ATOM 480 O ARG A 35 6.555 -11.805 -4.727 1.00 1.74 O ATOM 481 CB ARG A 35 8.592 -11.175 -2.377 1.00 1.46 C ATOM 482 CG ARG A 35 8.087 -11.531 -0.970 1.00 1.60 C ATOM 483 CD ARG A 35 9.061 -12.457 -0.237 1.00 2.32 C ATOM 484 NE ARG A 35 8.677 -12.628 1.172 1.00 3.40 N ATOM 485 CZ ARG A 35 7.770 -13.499 1.652 1.00 4.99 C ATOM 486 NH1 ARG A 35 7.114 -14.355 0.855 1.00 6.03 N ATOM 487 NH2 ARG A 35 7.518 -13.508 2.969 1.00 6.22 N ATOM 0 H ARG A 35 6.860 -9.268 -1.556 1.00 1.02 H new ATOM 0 HA ARG A 35 8.156 -9.978 -4.105 1.00 1.22 H new ATOM 0 HB2 ARG A 35 8.781 -12.098 -2.924 1.00 1.46 H new ATOM 0 HB3 ARG A 35 9.547 -10.657 -2.285 1.00 1.46 H new ATOM 0 HG2 ARG A 35 7.948 -10.618 -0.391 1.00 1.60 H new ATOM 0 HG3 ARG A 35 7.112 -12.013 -1.044 1.00 1.60 H new ATOM 0 HD2 ARG A 35 9.084 -13.429 -0.731 1.00 2.32 H new ATOM 0 HD3 ARG A 35 10.069 -12.047 -0.294 1.00 2.32 H new ATOM 0 HE ARG A 35 9.144 -12.028 1.852 1.00 3.40 H new ATOM 0 HH11 ARG A 35 7.296 -14.359 -0.149 1.00 6.03 H new ATOM 0 HH12 ARG A 35 6.433 -15.002 1.252 1.00 6.03 H new ATOM 0 HH21 ARG A 35 8.010 -12.863 3.587 1.00 6.22 H new ATOM 0 HH22 ARG A 35 6.834 -14.160 3.353 1.00 6.22 H new ATOM 501 N GLN A 36 5.246 -10.917 -3.131 1.00 1.07 N ATOM 502 CA GLN A 36 4.022 -11.639 -3.513 1.00 1.21 C ATOM 503 C GLN A 36 3.188 -10.950 -4.615 1.00 1.19 C ATOM 504 O GLN A 36 2.341 -11.607 -5.221 1.00 1.40 O ATOM 505 CB GLN A 36 3.170 -11.904 -2.259 1.00 1.33 C ATOM 506 CG GLN A 36 3.816 -12.818 -1.199 1.00 1.86 C ATOM 507 CD GLN A 36 4.275 -14.168 -1.743 1.00 3.22 C ATOM 508 OE1 GLN A 36 5.467 -14.444 -1.850 1.00 4.35 O ATOM 509 NE2 GLN A 36 3.361 -15.041 -2.101 1.00 4.05 N ATOM 0 H GLN A 36 5.111 -10.278 -2.347 1.00 1.07 H new ATOM 0 HA GLN A 36 4.344 -12.581 -3.957 1.00 1.21 H new ATOM 0 HB2 GLN A 36 2.933 -10.947 -1.793 1.00 1.33 H new ATOM 0 HB3 GLN A 36 2.225 -12.349 -2.570 1.00 1.33 H new ATOM 0 HG2 GLN A 36 4.672 -12.303 -0.763 1.00 1.86 H new ATOM 0 HG3 GLN A 36 3.101 -12.986 -0.394 1.00 1.86 H new ATOM 0 HE21 GLN A 36 2.372 -14.809 -2.011 1.00 4.05 H new ATOM 0 HE22 GLN A 36 3.641 -15.950 -2.469 1.00 4.05 H new ATOM 518 N ARG A 37 3.399 -9.653 -4.887 1.00 1.12 N ATOM 519 CA ARG A 37 2.803 -8.902 -6.015 1.00 1.27 C ATOM 520 C ARG A 37 3.894 -8.405 -6.979 1.00 1.31 C ATOM 521 O ARG A 37 5.088 -8.518 -6.687 1.00 1.89 O ATOM 522 CB ARG A 37 1.952 -7.726 -5.483 1.00 1.46 C ATOM 523 CG ARG A 37 0.587 -8.109 -4.883 1.00 1.62 C ATOM 524 CD ARG A 37 0.648 -8.838 -3.533 1.00 2.02 C ATOM 525 NE ARG A 37 -0.671 -8.892 -2.886 1.00 1.41 N ATOM 526 CZ ARG A 37 -1.672 -9.738 -3.191 1.00 1.29 C ATOM 527 NH1 ARG A 37 -1.540 -10.679 -4.139 1.00 1.89 N ATOM 528 NH2 ARG A 37 -2.830 -9.631 -2.527 1.00 1.54 N ATOM 0 H ARG A 37 4.010 -9.074 -4.311 1.00 1.12 H new ATOM 0 HA ARG A 37 2.150 -9.573 -6.573 1.00 1.27 H new ATOM 0 HB2 ARG A 37 2.528 -7.200 -4.722 1.00 1.46 H new ATOM 0 HB3 ARG A 37 1.785 -7.023 -6.299 1.00 1.46 H new ATOM 0 HG2 ARG A 37 -0.006 -7.202 -4.762 1.00 1.62 H new ATOM 0 HG3 ARG A 37 0.059 -8.742 -5.596 1.00 1.62 H new ATOM 0 HD2 ARG A 37 1.022 -9.851 -3.683 1.00 2.02 H new ATOM 0 HD3 ARG A 37 1.355 -8.331 -2.877 1.00 2.02 H new ATOM 0 HE ARG A 37 -0.844 -8.225 -2.134 1.00 1.41 H new ATOM 0 HH11 ARG A 37 -0.662 -10.767 -4.651 1.00 1.89 H new ATOM 0 HH12 ARG A 37 -2.317 -11.306 -4.347 1.00 1.89 H new ATOM 0 HH21 ARG A 37 -2.940 -8.918 -1.806 1.00 1.54 H new ATOM 0 HH22 ARG A 37 -3.602 -10.262 -2.743 1.00 1.54 H new ATOM 542 N ASP A 38 3.514 -7.862 -8.136 1.00 1.23 N ATOM 543 CA ASP A 38 4.450 -7.271 -9.104 1.00 1.23 C ATOM 544 C ASP A 38 5.054 -5.974 -8.543 1.00 1.23 C ATOM 545 O ASP A 38 4.332 -5.076 -8.098 1.00 1.37 O ATOM 546 CB ASP A 38 3.742 -7.036 -10.451 1.00 1.32 C ATOM 547 CG ASP A 38 4.689 -7.171 -11.638 1.00 2.28 C ATOM 548 OD1 ASP A 38 4.840 -8.311 -12.135 1.00 2.81 O ATOM 549 OD2 ASP A 38 5.284 -6.157 -12.076 1.00 3.41 O ATOM 0 H ASP A 38 2.540 -7.818 -8.434 1.00 1.23 H new ATOM 0 HA ASP A 38 5.272 -7.966 -9.278 1.00 1.23 H new ATOM 0 HB2 ASP A 38 2.926 -7.750 -10.558 1.00 1.32 H new ATOM 0 HB3 ASP A 38 3.298 -6.041 -10.456 1.00 1.32 H new ATOM 554 N ALA A 39 6.386 -5.881 -8.539 1.00 1.21 N ATOM 555 CA ALA A 39 7.099 -4.904 -7.719 1.00 1.21 C ATOM 556 C ALA A 39 6.796 -3.441 -8.081 1.00 1.09 C ATOM 557 O ALA A 39 6.682 -2.611 -7.182 1.00 1.28 O ATOM 558 CB ALA A 39 8.592 -5.209 -7.834 1.00 1.34 C ATOM 0 H ALA A 39 6.995 -6.477 -9.100 1.00 1.21 H new ATOM 0 HA ALA A 39 6.754 -5.003 -6.690 1.00 1.21 H new ATOM 0 HB1 ALA A 39 9.156 -4.496 -7.232 1.00 1.34 H new ATOM 0 HB2 ALA A 39 8.785 -6.220 -7.476 1.00 1.34 H new ATOM 0 HB3 ALA A 39 8.901 -5.128 -8.876 1.00 1.34 H new ATOM 564 N ASN A 40 6.637 -3.128 -9.370 1.00 1.01 N ATOM 565 CA ASN A 40 6.296 -1.781 -9.837 1.00 0.99 C ATOM 566 C ASN A 40 4.785 -1.479 -9.759 1.00 0.88 C ATOM 567 O ASN A 40 4.418 -0.337 -9.460 1.00 0.94 O ATOM 568 CB ASN A 40 6.871 -1.574 -11.247 1.00 1.21 C ATOM 569 CG ASN A 40 8.382 -1.442 -11.240 1.00 2.30 C ATOM 570 OD1 ASN A 40 8.925 -0.349 -11.143 1.00 3.07 O ATOM 571 ND2 ASN A 40 9.118 -2.526 -11.305 1.00 3.38 N ATOM 0 H ASN A 40 6.742 -3.807 -10.124 1.00 1.01 H new ATOM 0 HA ASN A 40 6.754 -1.057 -9.163 1.00 0.99 H new ATOM 0 HB2 ASN A 40 6.585 -2.414 -11.880 1.00 1.21 H new ATOM 0 HB3 ASN A 40 6.433 -0.679 -11.688 1.00 1.21 H new ATOM 0 HD21 ASN A 40 10.135 -2.454 -11.275 1.00 3.38 H new ATOM 0 HD22 ASN A 40 8.673 -3.440 -11.386 1.00 3.38 H new ATOM 578 N TRP A 41 3.910 -2.478 -9.942 1.00 0.82 N ATOM 579 CA TRP A 41 2.460 -2.327 -9.741 1.00 0.78 C ATOM 580 C TRP A 41 2.137 -1.912 -8.299 1.00 0.72 C ATOM 581 O TRP A 41 1.328 -1.011 -8.084 1.00 0.70 O ATOM 582 CB TRP A 41 1.750 -3.648 -10.076 1.00 0.78 C ATOM 583 CG TRP A 41 0.299 -3.699 -9.712 1.00 0.73 C ATOM 584 CD1 TRP A 41 -0.738 -3.359 -10.509 1.00 0.70 C ATOM 585 CD2 TRP A 41 -0.289 -4.039 -8.418 1.00 0.82 C ATOM 586 NE1 TRP A 41 -1.918 -3.454 -9.799 1.00 0.76 N ATOM 587 CE2 TRP A 41 -1.691 -3.792 -8.483 1.00 0.83 C ATOM 588 CE3 TRP A 41 0.232 -4.481 -7.181 1.00 0.98 C ATOM 589 CZ2 TRP A 41 -2.523 -3.910 -7.360 1.00 0.99 C ATOM 590 CZ3 TRP A 41 -0.587 -4.579 -6.041 1.00 1.11 C ATOM 591 CH2 TRP A 41 -1.956 -4.275 -6.127 1.00 1.12 C ATOM 0 H TRP A 41 4.187 -3.415 -10.234 1.00 0.82 H new ATOM 0 HA TRP A 41 2.104 -1.540 -10.406 1.00 0.78 H new ATOM 0 HB2 TRP A 41 1.847 -3.834 -11.146 1.00 0.78 H new ATOM 0 HB3 TRP A 41 2.266 -4.460 -9.564 1.00 0.78 H new ATOM 0 HD1 TRP A 41 -0.656 -3.059 -11.543 1.00 0.70 H new ATOM 0 HE1 TRP A 41 -2.843 -3.294 -10.199 1.00 0.76 H new ATOM 0 HE3 TRP A 41 1.276 -4.748 -7.109 1.00 0.98 H new ATOM 0 HZ2 TRP A 41 -3.584 -3.723 -7.442 1.00 0.99 H new ATOM 0 HZ3 TRP A 41 -0.162 -4.889 -5.098 1.00 1.11 H new ATOM 0 HH2 TRP A 41 -2.574 -4.322 -5.243 1.00 1.12 H new ATOM 602 N LEU A 42 2.817 -2.520 -7.317 1.00 0.72 N ATOM 603 CA LEU A 42 2.623 -2.249 -5.889 1.00 0.72 C ATOM 604 C LEU A 42 2.795 -0.757 -5.555 1.00 0.65 C ATOM 605 O LEU A 42 2.028 -0.207 -4.762 1.00 0.66 O ATOM 606 CB LEU A 42 3.626 -3.128 -5.113 1.00 0.82 C ATOM 607 CG LEU A 42 3.652 -2.911 -3.589 1.00 1.13 C ATOM 608 CD1 LEU A 42 2.322 -3.271 -2.921 1.00 1.50 C ATOM 609 CD2 LEU A 42 4.754 -3.778 -2.976 1.00 2.06 C ATOM 0 H LEU A 42 3.530 -3.227 -7.498 1.00 0.72 H new ATOM 0 HA LEU A 42 1.601 -2.495 -5.599 1.00 0.72 H new ATOM 0 HB2 LEU A 42 3.394 -4.175 -5.310 1.00 0.82 H new ATOM 0 HB3 LEU A 42 4.626 -2.943 -5.506 1.00 0.82 H new ATOM 0 HG LEU A 42 3.838 -1.851 -3.417 1.00 1.13 H new ATOM 0 HD11 LEU A 42 2.396 -3.099 -1.847 1.00 1.50 H new ATOM 0 HD12 LEU A 42 1.527 -2.650 -3.334 1.00 1.50 H new ATOM 0 HD13 LEU A 42 2.095 -4.321 -3.106 1.00 1.50 H new ATOM 0 HD21 LEU A 42 4.777 -3.628 -1.897 1.00 2.06 H new ATOM 0 HD22 LEU A 42 4.554 -4.827 -3.192 1.00 2.06 H new ATOM 0 HD23 LEU A 42 5.717 -3.497 -3.402 1.00 2.06 H new ATOM 621 N VAL A 43 3.774 -0.107 -6.190 1.00 0.64 N ATOM 622 CA VAL A 43 4.058 1.321 -6.004 1.00 0.63 C ATOM 623 C VAL A 43 2.969 2.199 -6.633 1.00 0.58 C ATOM 624 O VAL A 43 2.540 3.160 -5.996 1.00 0.70 O ATOM 625 CB VAL A 43 5.464 1.693 -6.522 1.00 0.72 C ATOM 626 CG1 VAL A 43 5.877 3.093 -6.063 1.00 1.05 C ATOM 627 CG2 VAL A 43 6.540 0.713 -6.028 1.00 1.04 C ATOM 0 H VAL A 43 4.399 -0.561 -6.855 1.00 0.64 H new ATOM 0 HA VAL A 43 4.049 1.517 -4.932 1.00 0.63 H new ATOM 0 HB VAL A 43 5.397 1.652 -7.609 1.00 0.72 H new ATOM 0 HG11 VAL A 43 6.872 3.323 -6.445 1.00 1.05 H new ATOM 0 HG12 VAL A 43 5.164 3.825 -6.443 1.00 1.05 H new ATOM 0 HG13 VAL A 43 5.890 3.130 -4.974 1.00 1.05 H new ATOM 0 HG21 VAL A 43 7.513 1.014 -6.417 1.00 1.04 H new ATOM 0 HG22 VAL A 43 6.567 0.721 -4.938 1.00 1.04 H new ATOM 0 HG23 VAL A 43 6.305 -0.292 -6.378 1.00 1.04 H new ATOM 637 N ARG A 44 2.438 1.855 -7.817 1.00 0.53 N ATOM 638 CA ARG A 44 1.300 2.583 -8.418 1.00 0.54 C ATOM 639 C ARG A 44 0.019 2.405 -7.595 1.00 0.56 C ATOM 640 O ARG A 44 -0.682 3.382 -7.337 1.00 0.69 O ATOM 641 CB ARG A 44 1.127 2.132 -9.872 1.00 0.59 C ATOM 642 CG ARG A 44 0.214 3.101 -10.634 1.00 1.52 C ATOM 643 CD ARG A 44 0.080 2.672 -12.095 1.00 1.95 C ATOM 644 NE ARG A 44 -0.776 3.608 -12.835 1.00 2.98 N ATOM 645 CZ ARG A 44 -1.630 3.284 -13.824 1.00 3.75 C ATOM 646 NH1 ARG A 44 -1.775 2.020 -14.249 1.00 4.31 N ATOM 647 NH2 ARG A 44 -2.352 4.253 -14.398 1.00 4.83 N ATOM 0 H ARG A 44 2.777 1.076 -8.381 1.00 0.53 H new ATOM 0 HA ARG A 44 1.512 3.652 -8.411 1.00 0.54 H new ATOM 0 HB2 ARG A 44 2.100 2.081 -10.361 1.00 0.59 H new ATOM 0 HB3 ARG A 44 0.704 1.128 -9.899 1.00 0.59 H new ATOM 0 HG2 ARG A 44 -0.770 3.128 -10.165 1.00 1.52 H new ATOM 0 HG3 ARG A 44 0.621 4.111 -10.581 1.00 1.52 H new ATOM 0 HD2 ARG A 44 1.066 2.629 -12.558 1.00 1.95 H new ATOM 0 HD3 ARG A 44 -0.341 1.668 -12.147 1.00 1.95 H new ATOM 0 HE ARG A 44 -0.718 4.593 -12.576 1.00 2.98 H new ATOM 0 HH11 ARG A 44 -1.230 1.272 -13.820 1.00 4.31 H new ATOM 0 HH12 ARG A 44 -2.431 1.807 -15.001 1.00 4.31 H new ATOM 0 HH21 ARG A 44 -2.250 5.218 -14.085 1.00 4.83 H new ATOM 0 HH22 ARG A 44 -3.004 4.026 -15.149 1.00 4.83 H new ATOM 661 N TRP A 45 -0.253 1.189 -7.122 1.00 0.54 N ATOM 662 CA TRP A 45 -1.405 0.881 -6.269 1.00 0.61 C ATOM 663 C TRP A 45 -1.417 1.713 -4.985 1.00 0.68 C ATOM 664 O TRP A 45 -2.385 2.430 -4.736 1.00 0.76 O ATOM 665 CB TRP A 45 -1.440 -0.623 -5.964 1.00 0.66 C ATOM 666 CG TRP A 45 -2.364 -1.023 -4.851 1.00 0.76 C ATOM 667 CD1 TRP A 45 -1.985 -1.670 -3.727 1.00 1.07 C ATOM 668 CD2 TRP A 45 -3.798 -0.763 -4.697 1.00 0.73 C ATOM 669 NE1 TRP A 45 -3.078 -1.851 -2.902 1.00 1.14 N ATOM 670 CE2 TRP A 45 -4.223 -1.312 -3.449 1.00 0.96 C ATOM 671 CE3 TRP A 45 -4.780 -0.101 -5.470 1.00 0.78 C ATOM 672 CZ2 TRP A 45 -5.550 -1.231 -3.001 1.00 1.09 C ATOM 673 CZ3 TRP A 45 -6.112 0.001 -5.022 1.00 1.02 C ATOM 674 CH2 TRP A 45 -6.500 -0.566 -3.796 1.00 1.11 C ATOM 0 H TRP A 45 0.329 0.376 -7.323 1.00 0.54 H new ATOM 0 HA TRP A 45 -2.309 1.151 -6.815 1.00 0.61 H new ATOM 0 HB2 TRP A 45 -1.734 -1.155 -6.869 1.00 0.66 H new ATOM 0 HB3 TRP A 45 -0.431 -0.951 -5.714 1.00 0.66 H new ATOM 0 HD1 TRP A 45 -0.979 -1.996 -3.507 1.00 1.07 H new ATOM 0 HE1 TRP A 45 -3.042 -2.325 -1.999 1.00 1.14 H new ATOM 0 HE3 TRP A 45 -4.504 0.334 -6.419 1.00 0.78 H new ATOM 0 HZ2 TRP A 45 -5.838 -1.673 -2.059 1.00 1.09 H new ATOM 0 HZ3 TRP A 45 -6.842 0.520 -5.626 1.00 1.02 H new ATOM 0 HH2 TRP A 45 -7.525 -0.491 -3.465 1.00 1.11 H new ATOM 685 N LEU A 46 -0.339 1.679 -4.189 1.00 0.72 N ATOM 686 CA LEU A 46 -0.288 2.419 -2.921 1.00 0.84 C ATOM 687 C LEU A 46 -0.096 3.942 -3.097 1.00 0.93 C ATOM 688 O LEU A 46 -0.305 4.693 -2.143 1.00 1.10 O ATOM 689 CB LEU A 46 0.633 1.691 -1.910 1.00 1.02 C ATOM 690 CG LEU A 46 1.922 2.388 -1.444 1.00 1.10 C ATOM 691 CD1 LEU A 46 2.572 1.556 -0.334 1.00 2.24 C ATOM 692 CD2 LEU A 46 2.941 2.497 -2.568 1.00 1.70 C ATOM 0 H LEU A 46 0.506 1.149 -4.400 1.00 0.72 H new ATOM 0 HA LEU A 46 -1.273 2.402 -2.454 1.00 0.84 H new ATOM 0 HB2 LEU A 46 0.039 1.470 -1.023 1.00 1.02 H new ATOM 0 HB3 LEU A 46 0.916 0.735 -2.351 1.00 1.02 H new ATOM 0 HG LEU A 46 1.646 3.385 -1.102 1.00 1.10 H new ATOM 0 HD11 LEU A 46 3.487 2.046 -0.000 1.00 2.24 H new ATOM 0 HD12 LEU A 46 1.882 1.466 0.505 1.00 2.24 H new ATOM 0 HD13 LEU A 46 2.811 0.563 -0.716 1.00 2.24 H new ATOM 0 HD21 LEU A 46 3.838 2.995 -2.199 1.00 1.70 H new ATOM 0 HD22 LEU A 46 3.200 1.499 -2.922 1.00 1.70 H new ATOM 0 HD23 LEU A 46 2.517 3.075 -3.389 1.00 1.70 H new ATOM 704 N LYS A 47 0.244 4.402 -4.311 1.00 0.88 N ATOM 705 CA LYS A 47 0.284 5.818 -4.708 1.00 0.96 C ATOM 706 C LYS A 47 -1.099 6.392 -5.030 1.00 0.94 C ATOM 707 O LYS A 47 -1.314 7.567 -4.739 1.00 1.16 O ATOM 708 CB LYS A 47 1.248 5.958 -5.904 1.00 0.99 C ATOM 709 CG LYS A 47 1.381 7.370 -6.500 1.00 1.24 C ATOM 710 CD LYS A 47 2.156 7.364 -7.826 1.00 1.64 C ATOM 711 CE LYS A 47 3.611 6.906 -7.673 1.00 2.11 C ATOM 712 NZ LYS A 47 4.265 6.772 -8.993 1.00 2.73 N ATOM 0 H LYS A 47 0.508 3.775 -5.071 1.00 0.88 H new ATOM 0 HA LYS A 47 0.644 6.405 -3.863 1.00 0.96 H new ATOM 0 HB2 LYS A 47 2.237 5.623 -5.590 1.00 0.99 H new ATOM 0 HB3 LYS A 47 0.918 5.282 -6.693 1.00 0.99 H new ATOM 0 HG2 LYS A 47 0.388 7.790 -6.662 1.00 1.24 H new ATOM 0 HG3 LYS A 47 1.889 8.019 -5.786 1.00 1.24 H new ATOM 0 HD2 LYS A 47 1.648 6.708 -8.533 1.00 1.64 H new ATOM 0 HD3 LYS A 47 2.140 8.367 -8.253 1.00 1.64 H new ATOM 0 HE2 LYS A 47 4.160 7.623 -7.062 1.00 2.11 H new ATOM 0 HE3 LYS A 47 3.642 5.951 -7.149 1.00 2.11 H new ATOM 0 HZ1 LYS A 47 4.613 5.799 -9.111 1.00 2.73 H new ATOM 0 HZ2 LYS A 47 3.579 6.988 -9.744 1.00 2.73 H new ATOM 0 HZ3 LYS A 47 5.064 7.435 -9.054 1.00 2.73 H new ATOM 726 N VAL A 48 -2.022 5.646 -5.650 1.00 0.76 N ATOM 727 CA VAL A 48 -3.280 6.239 -6.167 1.00 0.74 C ATOM 728 C VAL A 48 -4.487 5.259 -6.215 1.00 0.60 C ATOM 729 O VAL A 48 -5.057 4.998 -7.280 1.00 0.60 O ATOM 730 CB VAL A 48 -2.972 6.971 -7.501 1.00 0.80 C ATOM 731 CG1 VAL A 48 -2.726 6.085 -8.733 1.00 1.36 C ATOM 732 CG2 VAL A 48 -4.026 8.041 -7.769 1.00 1.67 C ATOM 0 H VAL A 48 -1.932 4.642 -5.809 1.00 0.76 H new ATOM 0 HA VAL A 48 -3.638 6.978 -5.450 1.00 0.74 H new ATOM 0 HB VAL A 48 -1.998 7.434 -7.344 1.00 0.80 H new ATOM 0 HG11 VAL A 48 -2.522 6.715 -9.599 1.00 1.36 H new ATOM 0 HG12 VAL A 48 -1.871 5.434 -8.548 1.00 1.36 H new ATOM 0 HG13 VAL A 48 -3.610 5.477 -8.926 1.00 1.36 H new ATOM 0 HG21 VAL A 48 -3.800 8.548 -8.707 1.00 1.67 H new ATOM 0 HG22 VAL A 48 -5.009 7.575 -7.836 1.00 1.67 H new ATOM 0 HG23 VAL A 48 -4.023 8.766 -6.955 1.00 1.67 H new ATOM 742 N PRO A 49 -4.913 4.675 -5.076 1.00 0.57 N ATOM 743 CA PRO A 49 -5.891 3.580 -5.053 1.00 0.52 C ATOM 744 C PRO A 49 -7.273 3.917 -5.648 1.00 0.56 C ATOM 745 O PRO A 49 -7.873 3.055 -6.296 1.00 0.76 O ATOM 746 CB PRO A 49 -5.987 3.154 -3.580 1.00 0.58 C ATOM 747 CG PRO A 49 -5.557 4.403 -2.815 1.00 0.69 C ATOM 748 CD PRO A 49 -4.480 4.988 -3.723 1.00 0.66 C ATOM 0 HA PRO A 49 -5.549 2.776 -5.705 1.00 0.52 H new ATOM 0 HB2 PRO A 49 -7.000 2.851 -3.316 1.00 0.58 H new ATOM 0 HB3 PRO A 49 -5.335 2.308 -3.364 1.00 0.58 H new ATOM 0 HG2 PRO A 49 -6.386 5.096 -2.669 1.00 0.69 H new ATOM 0 HG3 PRO A 49 -5.167 4.160 -1.827 1.00 0.69 H new ATOM 0 HD2 PRO A 49 -4.385 6.064 -3.579 1.00 0.66 H new ATOM 0 HD3 PRO A 49 -3.505 4.550 -3.510 1.00 0.66 H new ATOM 756 N ASP A 50 -7.780 5.148 -5.511 1.00 0.58 N ATOM 757 CA ASP A 50 -9.078 5.536 -6.092 1.00 0.69 C ATOM 758 C ASP A 50 -9.000 5.690 -7.619 1.00 0.73 C ATOM 759 O ASP A 50 -9.912 5.238 -8.317 1.00 0.83 O ATOM 760 CB ASP A 50 -9.618 6.816 -5.437 1.00 0.88 C ATOM 761 CG ASP A 50 -11.037 7.163 -5.907 1.00 1.26 C ATOM 762 OD1 ASP A 50 -11.988 6.370 -5.689 1.00 2.07 O ATOM 763 OD2 ASP A 50 -11.247 8.245 -6.494 1.00 2.23 O ATOM 0 H ASP A 50 -7.312 5.897 -5.002 1.00 0.58 H new ATOM 0 HA ASP A 50 -9.778 4.727 -5.883 1.00 0.69 H new ATOM 0 HB2 ASP A 50 -9.617 6.694 -4.354 1.00 0.88 H new ATOM 0 HB3 ASP A 50 -8.950 7.647 -5.665 1.00 0.88 H new ATOM 768 N GLN A 51 -7.908 6.258 -8.153 1.00 0.76 N ATOM 769 CA GLN A 51 -7.712 6.342 -9.612 1.00 0.83 C ATOM 770 C GLN A 51 -7.508 4.947 -10.235 1.00 0.73 C ATOM 771 O GLN A 51 -8.040 4.677 -11.313 1.00 0.78 O ATOM 772 CB GLN A 51 -6.550 7.295 -9.947 1.00 0.95 C ATOM 773 CG GLN A 51 -6.581 7.794 -11.400 1.00 1.32 C ATOM 774 CD GLN A 51 -5.316 8.557 -11.793 1.00 2.05 C ATOM 775 OE1 GLN A 51 -4.470 8.062 -12.530 1.00 3.15 O ATOM 776 NE2 GLN A 51 -5.116 9.776 -11.344 1.00 3.20 N ATOM 0 H GLN A 51 -7.151 6.664 -7.603 1.00 0.76 H new ATOM 0 HA GLN A 51 -8.619 6.755 -10.054 1.00 0.83 H new ATOM 0 HB2 GLN A 51 -6.585 8.152 -9.274 1.00 0.95 H new ATOM 0 HB3 GLN A 51 -5.605 6.784 -9.764 1.00 0.95 H new ATOM 0 HG2 GLN A 51 -6.709 6.943 -12.069 1.00 1.32 H new ATOM 0 HG3 GLN A 51 -7.447 8.441 -11.539 1.00 1.32 H new ATOM 0 HE21 GLN A 51 -5.803 10.212 -10.729 1.00 3.20 H new ATOM 0 HE22 GLN A 51 -4.274 10.286 -11.610 1.00 3.20 H new ATOM 785 N MET A 52 -6.810 4.038 -9.536 1.00 0.66 N ATOM 786 CA MET A 52 -6.630 2.629 -9.910 1.00 0.65 C ATOM 787 C MET A 52 -7.950 1.840 -9.945 1.00 0.65 C ATOM 788 O MET A 52 -8.191 1.093 -10.894 1.00 0.68 O ATOM 789 CB MET A 52 -5.655 1.991 -8.904 1.00 0.69 C ATOM 790 CG MET A 52 -4.199 2.404 -9.133 1.00 1.91 C ATOM 791 SD MET A 52 -3.381 1.596 -10.531 1.00 1.67 S ATOM 792 CE MET A 52 -3.019 -0.002 -9.765 1.00 1.04 C ATOM 0 H MET A 52 -6.339 4.274 -8.663 1.00 0.66 H new ATOM 0 HA MET A 52 -6.232 2.592 -10.924 1.00 0.65 H new ATOM 0 HB2 MET A 52 -5.951 2.271 -7.893 1.00 0.69 H new ATOM 0 HB3 MET A 52 -5.733 0.906 -8.970 1.00 0.69 H new ATOM 0 HG2 MET A 52 -4.164 3.483 -9.286 1.00 1.91 H new ATOM 0 HG3 MET A 52 -3.631 2.191 -8.227 1.00 1.91 H new ATOM 0 HE1 MET A 52 -2.477 -0.630 -10.472 1.00 1.04 H new ATOM 0 HE2 MET A 52 -2.409 0.151 -8.875 1.00 1.04 H new ATOM 0 HE3 MET A 52 -3.952 -0.491 -9.486 1.00 1.04 H new ATOM 802 N LEU A 53 -8.840 2.015 -8.957 1.00 0.66 N ATOM 803 CA LEU A 53 -10.178 1.400 -8.976 1.00 0.70 C ATOM 804 C LEU A 53 -11.118 2.065 -10.000 1.00 0.75 C ATOM 805 O LEU A 53 -11.975 1.382 -10.559 1.00 0.81 O ATOM 806 CB LEU A 53 -10.782 1.389 -7.558 1.00 0.74 C ATOM 807 CG LEU A 53 -10.097 0.403 -6.589 1.00 1.51 C ATOM 808 CD1 LEU A 53 -10.564 0.674 -5.156 1.00 2.37 C ATOM 809 CD2 LEU A 53 -10.362 -1.073 -6.895 1.00 1.97 C ATOM 0 H LEU A 53 -8.656 2.581 -8.129 1.00 0.66 H new ATOM 0 HA LEU A 53 -10.063 0.367 -9.305 1.00 0.70 H new ATOM 0 HB2 LEU A 53 -10.720 2.394 -7.141 1.00 0.74 H new ATOM 0 HB3 LEU A 53 -11.840 1.137 -7.627 1.00 0.74 H new ATOM 0 HG LEU A 53 -9.028 0.575 -6.714 1.00 1.51 H new ATOM 0 HD11 LEU A 53 -10.077 -0.025 -4.476 1.00 2.37 H new ATOM 0 HD12 LEU A 53 -10.303 1.694 -4.875 1.00 2.37 H new ATOM 0 HD13 LEU A 53 -11.645 0.546 -5.095 1.00 2.37 H new ATOM 0 HD21 LEU A 53 -9.843 -1.695 -6.165 1.00 1.97 H new ATOM 0 HD22 LEU A 53 -11.433 -1.269 -6.842 1.00 1.97 H new ATOM 0 HD23 LEU A 53 -9.999 -1.308 -7.896 1.00 1.97 H new ATOM 821 N ALA A 54 -10.944 3.354 -10.310 1.00 0.77 N ATOM 822 CA ALA A 54 -11.672 4.038 -11.389 1.00 0.85 C ATOM 823 C ALA A 54 -11.224 3.581 -12.797 1.00 0.87 C ATOM 824 O ALA A 54 -12.044 3.459 -13.713 1.00 0.99 O ATOM 825 CB ALA A 54 -11.499 5.550 -11.216 1.00 0.94 C ATOM 0 H ALA A 54 -10.288 3.959 -9.816 1.00 0.77 H new ATOM 0 HA ALA A 54 -12.726 3.772 -11.314 1.00 0.85 H new ATOM 0 HB1 ALA A 54 -12.034 6.071 -12.010 1.00 0.94 H new ATOM 0 HB2 ALA A 54 -11.900 5.854 -10.249 1.00 0.94 H new ATOM 0 HB3 ALA A 54 -10.440 5.803 -11.266 1.00 0.94 H new ATOM 831 N GLU A 55 -9.933 3.279 -12.956 1.00 0.84 N ATOM 832 CA GLU A 55 -9.341 2.622 -14.132 1.00 0.95 C ATOM 833 C GLU A 55 -9.758 1.144 -14.244 1.00 1.03 C ATOM 834 O GLU A 55 -9.671 0.558 -15.326 1.00 1.21 O ATOM 835 CB GLU A 55 -7.809 2.778 -14.039 1.00 1.06 C ATOM 836 CG GLU A 55 -7.024 2.054 -15.145 1.00 1.29 C ATOM 837 CD GLU A 55 -5.566 2.515 -15.255 1.00 1.72 C ATOM 838 OE1 GLU A 55 -5.283 3.731 -15.405 1.00 2.31 O ATOM 839 OE2 GLU A 55 -4.654 1.655 -15.263 1.00 2.74 O ATOM 0 H GLU A 55 -9.239 3.493 -12.240 1.00 0.84 H new ATOM 0 HA GLU A 55 -9.710 3.098 -15.040 1.00 0.95 H new ATOM 0 HB2 GLU A 55 -7.562 3.839 -14.072 1.00 1.06 H new ATOM 0 HB3 GLU A 55 -7.477 2.403 -13.071 1.00 1.06 H new ATOM 0 HG2 GLU A 55 -7.045 0.981 -14.953 1.00 1.29 H new ATOM 0 HG3 GLU A 55 -7.522 2.217 -16.101 1.00 1.29 H new ATOM 846 N LYS A 56 -10.226 0.548 -13.140 1.00 1.12 N ATOM 847 CA LYS A 56 -10.437 -0.895 -12.966 1.00 1.26 C ATOM 848 C LYS A 56 -9.168 -1.694 -13.287 1.00 1.17 C ATOM 849 O LYS A 56 -9.179 -2.618 -14.100 1.00 1.57 O ATOM 850 CB LYS A 56 -11.731 -1.372 -13.666 1.00 1.67 C ATOM 851 CG LYS A 56 -12.966 -0.642 -13.107 1.00 2.47 C ATOM 852 CD LYS A 56 -14.298 -1.286 -13.518 1.00 3.15 C ATOM 853 CE LYS A 56 -15.435 -0.589 -12.763 1.00 4.41 C ATOM 854 NZ LYS A 56 -16.719 -1.312 -12.880 1.00 5.23 N ATOM 0 H LYS A 56 -10.479 1.081 -12.308 1.00 1.12 H new ATOM 0 HA LYS A 56 -10.619 -1.102 -11.911 1.00 1.26 H new ATOM 0 HB2 LYS A 56 -11.654 -1.194 -14.739 1.00 1.67 H new ATOM 0 HB3 LYS A 56 -11.847 -2.447 -13.529 1.00 1.67 H new ATOM 0 HG2 LYS A 56 -12.903 -0.620 -12.019 1.00 2.47 H new ATOM 0 HG3 LYS A 56 -12.952 0.393 -13.448 1.00 2.47 H new ATOM 0 HD2 LYS A 56 -14.446 -1.193 -14.594 1.00 3.15 H new ATOM 0 HD3 LYS A 56 -14.289 -2.351 -13.288 1.00 3.15 H new ATOM 0 HE2 LYS A 56 -15.167 -0.500 -11.710 1.00 4.41 H new ATOM 0 HE3 LYS A 56 -15.555 0.424 -13.148 1.00 4.41 H new ATOM 0 HZ1 LYS A 56 -17.455 -0.800 -12.352 1.00 5.23 H new ATOM 0 HZ2 LYS A 56 -16.992 -1.375 -13.882 1.00 5.23 H new ATOM 0 HZ3 LYS A 56 -16.615 -2.270 -12.488 1.00 5.23 H new ATOM 868 N ASP A 57 -8.066 -1.325 -12.631 1.00 1.07 N ATOM 869 CA ASP A 57 -6.808 -2.073 -12.605 1.00 1.11 C ATOM 870 C ASP A 57 -7.056 -3.374 -11.834 1.00 1.15 C ATOM 871 O ASP A 57 -7.330 -3.370 -10.628 1.00 1.18 O ATOM 872 CB ASP A 57 -5.665 -1.260 -11.985 1.00 1.15 C ATOM 873 CG ASP A 57 -4.347 -2.030 -12.120 1.00 1.43 C ATOM 874 OD1 ASP A 57 -4.156 -3.060 -11.434 1.00 2.59 O ATOM 875 OD2 ASP A 57 -3.506 -1.651 -12.971 1.00 1.99 O ATOM 0 H ASP A 57 -8.024 -0.466 -12.083 1.00 1.07 H new ATOM 0 HA ASP A 57 -6.492 -2.293 -13.625 1.00 1.11 H new ATOM 0 HB2 ASP A 57 -5.584 -0.293 -12.481 1.00 1.15 H new ATOM 0 HB3 ASP A 57 -5.875 -1.063 -10.934 1.00 1.15 H new ATOM 880 N PRO A 58 -7.069 -4.501 -12.547 1.00 1.20 N ATOM 881 CA PRO A 58 -7.895 -5.630 -12.149 1.00 1.23 C ATOM 882 C PRO A 58 -7.354 -6.433 -10.963 1.00 1.28 C ATOM 883 O PRO A 58 -8.140 -7.045 -10.239 1.00 1.91 O ATOM 884 CB PRO A 58 -7.997 -6.430 -13.433 1.00 1.31 C ATOM 885 CG PRO A 58 -6.714 -6.119 -14.200 1.00 1.29 C ATOM 886 CD PRO A 58 -6.592 -4.647 -13.920 1.00 1.23 C ATOM 0 HA PRO A 58 -8.863 -5.317 -11.757 1.00 1.23 H new ATOM 0 HB2 PRO A 58 -8.084 -7.497 -13.227 1.00 1.31 H new ATOM 0 HB3 PRO A 58 -8.878 -6.143 -14.007 1.00 1.31 H new ATOM 0 HG2 PRO A 58 -5.860 -6.686 -13.830 1.00 1.29 H new ATOM 0 HG3 PRO A 58 -6.802 -6.335 -15.265 1.00 1.29 H new ATOM 0 HD2 PRO A 58 -5.561 -4.307 -14.022 1.00 1.23 H new ATOM 0 HD3 PRO A 58 -7.192 -4.059 -14.614 1.00 1.23 H new ATOM 894 N LEU A 59 -6.043 -6.370 -10.715 1.00 1.07 N ATOM 895 CA LEU A 59 -5.403 -6.884 -9.489 1.00 1.02 C ATOM 896 C LEU A 59 -5.929 -6.156 -8.238 1.00 0.98 C ATOM 897 O LEU A 59 -6.266 -6.788 -7.238 1.00 0.98 O ATOM 898 CB LEU A 59 -3.871 -6.727 -9.618 1.00 1.12 C ATOM 899 CG LEU A 59 -2.946 -7.587 -8.730 1.00 1.13 C ATOM 900 CD1 LEU A 59 -3.242 -7.593 -7.232 1.00 1.97 C ATOM 901 CD2 LEU A 59 -2.911 -9.038 -9.204 1.00 1.64 C ATOM 0 H LEU A 59 -5.380 -5.954 -11.369 1.00 1.07 H new ATOM 0 HA LEU A 59 -5.650 -7.939 -9.372 1.00 1.02 H new ATOM 0 HB2 LEU A 59 -3.607 -6.928 -10.656 1.00 1.12 H new ATOM 0 HB3 LEU A 59 -3.631 -5.681 -9.425 1.00 1.12 H new ATOM 0 HG LEU A 59 -1.983 -7.090 -8.849 1.00 1.13 H new ATOM 0 HD11 LEU A 59 -2.523 -8.233 -6.722 1.00 1.97 H new ATOM 0 HD12 LEU A 59 -3.165 -6.578 -6.842 1.00 1.97 H new ATOM 0 HD13 LEU A 59 -4.250 -7.972 -7.062 1.00 1.97 H new ATOM 0 HD21 LEU A 59 -2.251 -9.616 -8.557 1.00 1.64 H new ATOM 0 HD22 LEU A 59 -3.916 -9.458 -9.165 1.00 1.64 H new ATOM 0 HD23 LEU A 59 -2.541 -9.077 -10.229 1.00 1.64 H new ATOM 913 N ALA A 60 -6.084 -4.828 -8.286 1.00 0.99 N ATOM 914 CA ALA A 60 -6.674 -4.096 -7.166 1.00 0.98 C ATOM 915 C ALA A 60 -8.168 -4.410 -7.011 1.00 0.93 C ATOM 916 O ALA A 60 -8.644 -4.654 -5.901 1.00 0.89 O ATOM 917 CB ALA A 60 -6.464 -2.600 -7.343 1.00 1.07 C ATOM 0 H ALA A 60 -5.812 -4.247 -9.079 1.00 0.99 H new ATOM 0 HA ALA A 60 -6.170 -4.420 -6.255 1.00 0.98 H new ATOM 0 HB1 ALA A 60 -6.908 -2.068 -6.502 1.00 1.07 H new ATOM 0 HB2 ALA A 60 -5.396 -2.385 -7.385 1.00 1.07 H new ATOM 0 HB3 ALA A 60 -6.937 -2.273 -8.269 1.00 1.07 H new ATOM 923 N MET A 61 -8.892 -4.478 -8.133 1.00 0.95 N ATOM 924 CA MET A 61 -10.311 -4.862 -8.171 1.00 0.93 C ATOM 925 C MET A 61 -10.556 -6.254 -7.561 1.00 0.93 C ATOM 926 O MET A 61 -11.613 -6.491 -6.977 1.00 0.98 O ATOM 927 CB MET A 61 -10.808 -4.841 -9.621 1.00 1.05 C ATOM 928 CG MET A 61 -10.687 -3.477 -10.315 1.00 1.16 C ATOM 929 SD MET A 61 -11.804 -2.187 -9.721 1.00 1.88 S ATOM 930 CE MET A 61 -13.363 -2.958 -10.180 1.00 1.90 C ATOM 0 H MET A 61 -8.506 -4.266 -9.053 1.00 0.95 H new ATOM 0 HA MET A 61 -10.864 -4.140 -7.570 1.00 0.93 H new ATOM 0 HB2 MET A 61 -10.246 -5.578 -10.195 1.00 1.05 H new ATOM 0 HB3 MET A 61 -11.853 -5.152 -9.638 1.00 1.05 H new ATOM 0 HG2 MET A 61 -9.662 -3.123 -10.202 1.00 1.16 H new ATOM 0 HG3 MET A 61 -10.860 -3.617 -11.382 1.00 1.16 H new ATOM 0 HE1 MET A 61 -14.132 -2.192 -10.282 1.00 1.90 H new ATOM 0 HE2 MET A 61 -13.245 -3.481 -11.129 1.00 1.90 H new ATOM 0 HE3 MET A 61 -13.659 -3.668 -9.408 1.00 1.90 H new ATOM 940 N LEU A 62 -9.582 -7.164 -7.663 1.00 0.92 N ATOM 941 CA LEU A 62 -9.586 -8.478 -7.041 1.00 0.93 C ATOM 942 C LEU A 62 -9.252 -8.423 -5.546 1.00 0.92 C ATOM 943 O LEU A 62 -9.914 -9.098 -4.754 1.00 1.03 O ATOM 944 CB LEU A 62 -8.537 -9.311 -7.781 1.00 1.04 C ATOM 945 CG LEU A 62 -8.434 -10.773 -7.327 1.00 1.73 C ATOM 946 CD1 LEU A 62 -9.698 -11.582 -7.625 1.00 2.10 C ATOM 947 CD2 LEU A 62 -7.263 -11.443 -8.039 1.00 2.65 C ATOM 0 H LEU A 62 -8.736 -6.991 -8.206 1.00 0.92 H new ATOM 0 HA LEU A 62 -10.583 -8.913 -7.111 1.00 0.93 H new ATOM 0 HB2 LEU A 62 -8.765 -9.292 -8.847 1.00 1.04 H new ATOM 0 HB3 LEU A 62 -7.563 -8.837 -7.655 1.00 1.04 H new ATOM 0 HG LEU A 62 -8.292 -10.756 -6.246 1.00 1.73 H new ATOM 0 HD11 LEU A 62 -9.563 -12.607 -7.281 1.00 2.10 H new ATOM 0 HD12 LEU A 62 -10.547 -11.134 -7.108 1.00 2.10 H new ATOM 0 HD13 LEU A 62 -9.886 -11.582 -8.699 1.00 2.10 H new ATOM 0 HD21 LEU A 62 -7.188 -12.482 -7.718 1.00 2.65 H new ATOM 0 HD22 LEU A 62 -7.424 -11.407 -9.117 1.00 2.65 H new ATOM 0 HD23 LEU A 62 -6.339 -10.919 -7.792 1.00 2.65 H new ATOM 959 N LEU A 63 -8.222 -7.657 -5.147 1.00 0.89 N ATOM 960 CA LEU A 63 -7.750 -7.701 -3.758 1.00 0.95 C ATOM 961 C LEU A 63 -8.719 -6.971 -2.829 1.00 0.91 C ATOM 962 O LEU A 63 -8.934 -7.389 -1.692 1.00 1.01 O ATOM 963 CB LEU A 63 -6.273 -7.263 -3.668 1.00 1.20 C ATOM 964 CG LEU A 63 -6.005 -5.762 -3.456 1.00 1.28 C ATOM 965 CD1 LEU A 63 -6.037 -5.376 -1.973 1.00 2.39 C ATOM 966 CD2 LEU A 63 -4.610 -5.416 -3.959 1.00 2.18 C ATOM 0 H LEU A 63 -7.712 -7.014 -5.753 1.00 0.89 H new ATOM 0 HA LEU A 63 -7.752 -8.729 -3.394 1.00 0.95 H new ATOM 0 HB2 LEU A 63 -5.806 -7.810 -2.849 1.00 1.20 H new ATOM 0 HB3 LEU A 63 -5.771 -7.571 -4.585 1.00 1.20 H new ATOM 0 HG LEU A 63 -6.785 -5.226 -3.996 1.00 1.28 H new ATOM 0 HD11 LEU A 63 -5.843 -4.308 -1.871 1.00 2.39 H new ATOM 0 HD12 LEU A 63 -7.018 -5.608 -1.558 1.00 2.39 H new ATOM 0 HD13 LEU A 63 -5.273 -5.937 -1.434 1.00 2.39 H new ATOM 0 HD21 LEU A 63 -4.422 -4.353 -3.808 1.00 2.18 H new ATOM 0 HD22 LEU A 63 -3.870 -5.997 -3.408 1.00 2.18 H new ATOM 0 HD23 LEU A 63 -4.538 -5.650 -5.021 1.00 2.18 H new ATOM 978 N PHE A 64 -9.333 -5.892 -3.316 1.00 0.83 N ATOM 979 CA PHE A 64 -10.124 -5.025 -2.436 1.00 0.85 C ATOM 980 C PHE A 64 -11.417 -5.715 -1.983 1.00 0.89 C ATOM 981 O PHE A 64 -11.735 -5.709 -0.797 1.00 1.05 O ATOM 982 CB PHE A 64 -10.297 -3.612 -3.024 1.00 0.84 C ATOM 983 CG PHE A 64 -11.656 -3.273 -3.614 1.00 0.80 C ATOM 984 CD1 PHE A 64 -12.049 -3.800 -4.858 1.00 1.83 C ATOM 985 CD2 PHE A 64 -12.520 -2.404 -2.922 1.00 2.18 C ATOM 986 CE1 PHE A 64 -13.299 -3.461 -5.408 1.00 1.87 C ATOM 987 CE2 PHE A 64 -13.766 -2.057 -3.474 1.00 2.17 C ATOM 988 CZ PHE A 64 -14.154 -2.581 -4.719 1.00 0.87 C ATOM 0 H PHE A 64 -9.301 -5.600 -4.293 1.00 0.83 H new ATOM 0 HA PHE A 64 -9.566 -4.859 -1.515 1.00 0.85 H new ATOM 0 HB2 PHE A 64 -10.079 -2.889 -2.238 1.00 0.84 H new ATOM 0 HB3 PHE A 64 -9.546 -3.474 -3.802 1.00 0.84 H new ATOM 0 HD1 PHE A 64 -11.389 -4.467 -5.393 1.00 1.83 H new ATOM 0 HD2 PHE A 64 -12.225 -2.002 -1.964 1.00 2.18 H new ATOM 0 HE1 PHE A 64 -13.602 -3.876 -6.358 1.00 1.87 H new ATOM 0 HE2 PHE A 64 -14.425 -1.388 -2.941 1.00 2.17 H new ATOM 0 HZ PHE A 64 -15.108 -2.309 -5.147 1.00 0.87 H new ATOM 998 N GLU A 65 -12.111 -6.426 -2.878 1.00 0.83 N ATOM 999 CA GLU A 65 -13.332 -7.164 -2.526 1.00 0.92 C ATOM 1000 C GLU A 65 -13.084 -8.375 -1.607 1.00 0.95 C ATOM 1001 O GLU A 65 -14.009 -8.823 -0.925 1.00 1.07 O ATOM 1002 CB GLU A 65 -14.131 -7.513 -3.792 1.00 0.98 C ATOM 1003 CG GLU A 65 -13.501 -8.596 -4.680 1.00 1.74 C ATOM 1004 CD GLU A 65 -14.199 -9.950 -4.524 1.00 2.92 C ATOM 1005 OE1 GLU A 65 -15.266 -10.146 -5.160 1.00 2.94 O ATOM 1006 OE2 GLU A 65 -13.675 -10.846 -3.814 1.00 4.53 O ATOM 0 H GLU A 65 -11.846 -6.507 -3.860 1.00 0.83 H new ATOM 0 HA GLU A 65 -13.946 -6.499 -1.919 1.00 0.92 H new ATOM 0 HB2 GLU A 65 -15.127 -7.842 -3.496 1.00 0.98 H new ATOM 0 HB3 GLU A 65 -14.258 -6.607 -4.385 1.00 0.98 H new ATOM 0 HG2 GLU A 65 -13.550 -8.282 -5.723 1.00 1.74 H new ATOM 0 HG3 GLU A 65 -12.446 -8.702 -4.428 1.00 1.74 H new ATOM 1013 N GLN A 66 -11.847 -8.874 -1.519 1.00 0.97 N ATOM 1014 CA GLN A 66 -11.461 -9.902 -0.544 1.00 1.09 C ATOM 1015 C GLN A 66 -11.269 -9.322 0.862 1.00 1.08 C ATOM 1016 O GLN A 66 -11.720 -9.908 1.854 1.00 1.44 O ATOM 1017 CB GLN A 66 -10.180 -10.596 -1.051 1.00 1.35 C ATOM 1018 CG GLN A 66 -9.639 -11.729 -0.161 1.00 3.16 C ATOM 1019 CD GLN A 66 -10.488 -12.997 -0.171 1.00 3.45 C ATOM 1020 OE1 GLN A 66 -11.549 -13.080 -0.777 1.00 3.20 O ATOM 1021 NE2 GLN A 66 -10.047 -14.032 0.503 1.00 4.98 N ATOM 0 H GLN A 66 -11.082 -8.576 -2.124 1.00 0.97 H new ATOM 0 HA GLN A 66 -12.266 -10.632 -0.456 1.00 1.09 H new ATOM 0 HB2 GLN A 66 -10.377 -11.001 -2.044 1.00 1.35 H new ATOM 0 HB3 GLN A 66 -9.400 -9.843 -1.163 1.00 1.35 H new ATOM 0 HG2 GLN A 66 -8.629 -11.980 -0.486 1.00 3.16 H new ATOM 0 HG3 GLN A 66 -9.563 -11.365 0.864 1.00 3.16 H new ATOM 0 HE21 GLN A 66 -9.164 -13.972 1.011 1.00 4.98 H new ATOM 0 HE22 GLN A 66 -10.587 -14.897 0.520 1.00 4.98 H new ATOM 1030 N TYR A 67 -10.649 -8.147 0.944 1.00 0.97 N ATOM 1031 CA TYR A 67 -10.380 -7.416 2.180 1.00 1.09 C ATOM 1032 C TYR A 67 -11.499 -6.406 2.478 1.00 1.28 C ATOM 1033 O TYR A 67 -11.309 -5.190 2.550 1.00 1.75 O ATOM 1034 CB TYR A 67 -8.956 -6.862 2.109 1.00 1.07 C ATOM 1035 CG TYR A 67 -7.898 -7.952 2.032 1.00 1.03 C ATOM 1036 CD1 TYR A 67 -7.780 -8.893 3.076 1.00 2.24 C ATOM 1037 CD2 TYR A 67 -7.053 -8.050 0.909 1.00 1.70 C ATOM 1038 CE1 TYR A 67 -6.827 -9.926 2.996 1.00 2.50 C ATOM 1039 CE2 TYR A 67 -6.097 -9.080 0.826 1.00 1.68 C ATOM 1040 CZ TYR A 67 -5.981 -10.020 1.871 1.00 1.48 C ATOM 1041 OH TYR A 67 -5.035 -10.994 1.799 1.00 1.86 O ATOM 0 H TYR A 67 -10.306 -7.658 0.117 1.00 0.97 H new ATOM 0 HA TYR A 67 -10.403 -8.066 3.055 1.00 1.09 H new ATOM 0 HB2 TYR A 67 -8.867 -6.214 1.237 1.00 1.07 H new ATOM 0 HB3 TYR A 67 -8.769 -6.243 2.986 1.00 1.07 H new ATOM 0 HD1 TYR A 67 -8.423 -8.821 3.940 1.00 2.24 H new ATOM 0 HD2 TYR A 67 -7.139 -7.331 0.108 1.00 1.70 H new ATOM 0 HE1 TYR A 67 -6.744 -10.647 3.796 1.00 2.50 H new ATOM 0 HE2 TYR A 67 -5.453 -9.150 -0.038 1.00 1.68 H new ATOM 0 HH TYR A 67 -4.544 -10.911 0.955 1.00 1.86 H new ATOM 1051 N ASN A 68 -12.707 -6.966 2.628 1.00 1.26 N ATOM 1052 CA ASN A 68 -13.937 -6.295 3.051 1.00 1.46 C ATOM 1053 C ASN A 68 -14.401 -5.115 2.164 1.00 1.27 C ATOM 1054 O ASN A 68 -15.071 -4.203 2.657 1.00 1.36 O ATOM 1055 CB ASN A 68 -13.814 -5.956 4.551 1.00 1.85 C ATOM 1056 CG ASN A 68 -15.154 -5.818 5.249 1.00 2.39 C ATOM 1057 OD1 ASN A 68 -16.198 -6.256 4.776 1.00 2.77 O ATOM 1058 ND2 ASN A 68 -15.165 -5.228 6.414 1.00 2.81 N ATOM 0 H ASN A 68 -12.857 -7.958 2.446 1.00 1.26 H new ATOM 0 HA ASN A 68 -14.762 -6.992 2.905 1.00 1.46 H new ATOM 0 HB2 ASN A 68 -13.234 -6.735 5.046 1.00 1.85 H new ATOM 0 HB3 ASN A 68 -13.258 -5.025 4.661 1.00 1.85 H new ATOM 0 HD21 ASN A 68 -16.040 -5.132 6.929 1.00 2.81 H new ATOM 0 HD22 ASN A 68 -14.298 -4.863 6.809 1.00 2.81 H new ATOM 1065 N ARG A 69 -14.029 -5.113 0.870 1.00 1.13 N ATOM 1066 CA ARG A 69 -14.316 -4.060 -0.139 1.00 1.13 C ATOM 1067 C ARG A 69 -14.144 -2.597 0.315 1.00 1.10 C ATOM 1068 O ARG A 69 -14.831 -1.710 -0.198 1.00 1.58 O ATOM 1069 CB ARG A 69 -15.665 -4.340 -0.844 1.00 1.35 C ATOM 1070 CG ARG A 69 -16.923 -4.166 0.025 1.00 2.35 C ATOM 1071 CD ARG A 69 -18.183 -4.304 -0.838 1.00 2.32 C ATOM 1072 NE ARG A 69 -19.402 -4.101 -0.044 1.00 3.62 N ATOM 1073 CZ ARG A 69 -20.645 -3.979 -0.546 1.00 4.30 C ATOM 1074 NH1 ARG A 69 -20.879 -4.044 -1.866 1.00 4.18 N ATOM 1075 NH2 ARG A 69 -21.672 -3.786 0.292 1.00 5.73 N ATOM 0 H ARG A 69 -13.492 -5.884 0.473 1.00 1.13 H new ATOM 0 HA ARG A 69 -13.514 -4.145 -0.872 1.00 1.13 H new ATOM 0 HB2 ARG A 69 -15.747 -3.678 -1.706 1.00 1.35 H new ATOM 0 HB3 ARG A 69 -15.649 -5.361 -1.226 1.00 1.35 H new ATOM 0 HG2 ARG A 69 -16.933 -4.913 0.818 1.00 2.35 H new ATOM 0 HG3 ARG A 69 -16.909 -3.189 0.508 1.00 2.35 H new ATOM 0 HD2 ARG A 69 -18.151 -3.578 -1.650 1.00 2.32 H new ATOM 0 HD3 ARG A 69 -18.206 -5.293 -1.296 1.00 2.32 H new ATOM 0 HE ARG A 69 -19.298 -4.048 0.969 1.00 3.62 H new ATOM 0 HH11 ARG A 69 -20.105 -4.189 -2.515 1.00 4.18 H new ATOM 0 HH12 ARG A 69 -21.831 -3.948 -2.221 1.00 4.18 H new ATOM 0 HH21 ARG A 69 -21.507 -3.733 1.297 1.00 5.73 H new ATOM 0 HH22 ARG A 69 -22.619 -3.692 -0.075 1.00 5.73 H new ATOM 1089 N LEU A 70 -13.255 -2.326 1.274 1.00 1.05 N ATOM 1090 CA LEU A 70 -13.221 -1.060 2.026 1.00 0.98 C ATOM 1091 C LEU A 70 -12.946 0.167 1.136 1.00 1.06 C ATOM 1092 O LEU A 70 -13.582 1.208 1.331 1.00 2.20 O ATOM 1093 CB LEU A 70 -12.195 -1.226 3.165 1.00 1.26 C ATOM 1094 CG LEU A 70 -12.184 -0.104 4.226 1.00 1.37 C ATOM 1095 CD1 LEU A 70 -11.695 -0.643 5.569 1.00 2.62 C ATOM 1096 CD2 LEU A 70 -11.254 1.055 3.852 1.00 2.87 C ATOM 0 H LEU A 70 -12.529 -2.984 1.557 1.00 1.05 H new ATOM 0 HA LEU A 70 -14.206 -0.855 2.446 1.00 0.98 H new ATOM 0 HB2 LEU A 70 -12.388 -2.174 3.667 1.00 1.26 H new ATOM 0 HB3 LEU A 70 -11.200 -1.295 2.726 1.00 1.26 H new ATOM 0 HG LEU A 70 -13.211 0.257 4.284 1.00 1.37 H new ATOM 0 HD11 LEU A 70 -11.694 0.161 6.305 1.00 2.62 H new ATOM 0 HD12 LEU A 70 -12.358 -1.441 5.904 1.00 2.62 H new ATOM 0 HD13 LEU A 70 -10.684 -1.035 5.458 1.00 2.62 H new ATOM 0 HD21 LEU A 70 -11.286 1.814 4.633 1.00 2.87 H new ATOM 0 HD22 LEU A 70 -10.234 0.684 3.748 1.00 2.87 H new ATOM 0 HD23 LEU A 70 -11.579 1.492 2.908 1.00 2.87 H new ATOM 1108 N ALA A 71 -12.050 0.025 0.154 1.00 0.86 N ATOM 1109 CA ALA A 71 -11.603 1.050 -0.790 1.00 0.79 C ATOM 1110 C ALA A 71 -11.039 2.307 -0.095 1.00 1.09 C ATOM 1111 O ALA A 71 -11.678 3.369 -0.029 1.00 2.22 O ATOM 1112 CB ALA A 71 -12.689 1.305 -1.844 1.00 0.80 C ATOM 0 H ALA A 71 -11.588 -0.869 -0.012 1.00 0.86 H new ATOM 0 HA ALA A 71 -10.737 0.675 -1.336 1.00 0.79 H new ATOM 0 HB1 ALA A 71 -12.347 2.069 -2.542 1.00 0.80 H new ATOM 0 HB2 ALA A 71 -12.892 0.382 -2.388 1.00 0.80 H new ATOM 0 HB3 ALA A 71 -13.601 1.645 -1.352 1.00 0.80 H new ATOM 1118 N MET A 72 -9.818 2.159 0.434 1.00 0.94 N ATOM 1119 CA MET A 72 -9.019 3.226 1.050 1.00 1.00 C ATOM 1120 C MET A 72 -8.641 4.365 0.066 1.00 0.80 C ATOM 1121 O MET A 72 -8.588 4.133 -1.146 1.00 0.75 O ATOM 1122 CB MET A 72 -7.746 2.599 1.654 1.00 1.37 C ATOM 1123 CG MET A 72 -6.744 2.163 0.575 1.00 0.84 C ATOM 1124 SD MET A 72 -5.323 1.219 1.190 1.00 0.86 S ATOM 1125 CE MET A 72 -4.368 1.173 -0.349 1.00 1.24 C ATOM 0 H MET A 72 -9.341 1.258 0.445 1.00 0.94 H new ATOM 0 HA MET A 72 -9.631 3.692 1.822 1.00 1.00 H new ATOM 0 HB2 MET A 72 -7.270 3.319 2.320 1.00 1.37 H new ATOM 0 HB3 MET A 72 -8.021 1.737 2.261 1.00 1.37 H new ATOM 0 HG2 MET A 72 -7.269 1.560 -0.166 1.00 0.84 H new ATOM 0 HG3 MET A 72 -6.377 3.051 0.061 1.00 0.84 H new ATOM 0 HE1 MET A 72 -3.631 0.371 -0.296 1.00 1.24 H new ATOM 0 HE2 MET A 72 -5.040 0.994 -1.189 1.00 1.24 H new ATOM 0 HE3 MET A 72 -3.858 2.126 -0.489 1.00 1.24 H new ATOM 1135 N PRO A 73 -8.319 5.574 0.566 1.00 0.90 N ATOM 1136 CA PRO A 73 -7.838 6.696 -0.247 1.00 1.02 C ATOM 1137 C PRO A 73 -6.297 6.770 -0.357 1.00 1.14 C ATOM 1138 O PRO A 73 -5.570 6.180 0.444 1.00 1.16 O ATOM 1139 CB PRO A 73 -8.399 7.920 0.483 1.00 1.15 C ATOM 1140 CG PRO A 73 -8.288 7.524 1.954 1.00 1.16 C ATOM 1141 CD PRO A 73 -8.588 6.024 1.927 1.00 1.06 C ATOM 0 HA PRO A 73 -8.164 6.607 -1.283 1.00 1.02 H new ATOM 0 HB2 PRO A 73 -7.824 8.820 0.263 1.00 1.15 H new ATOM 0 HB3 PRO A 73 -9.431 8.123 0.196 1.00 1.15 H new ATOM 0 HG2 PRO A 73 -7.295 7.730 2.354 1.00 1.16 H new ATOM 0 HG3 PRO A 73 -9.001 8.068 2.574 1.00 1.16 H new ATOM 0 HD2 PRO A 73 -7.963 5.490 2.643 1.00 1.06 H new ATOM 0 HD3 PRO A 73 -9.625 5.830 2.202 1.00 1.06 H new ATOM 1149 N ASN A 74 -5.798 7.592 -1.291 1.00 1.37 N ATOM 1150 CA ASN A 74 -4.414 8.104 -1.342 1.00 1.55 C ATOM 1151 C ASN A 74 -4.031 8.901 -0.070 1.00 1.78 C ATOM 1152 O ASN A 74 -2.856 8.981 0.296 1.00 3.59 O ATOM 1153 CB ASN A 74 -4.283 8.990 -2.608 1.00 1.66 C ATOM 1154 CG ASN A 74 -3.124 9.979 -2.552 1.00 1.87 C ATOM 1155 OD1 ASN A 74 -3.223 11.067 -2.004 1.00 1.77 O ATOM 1156 ND2 ASN A 74 -1.979 9.635 -3.084 1.00 2.90 N ATOM 0 H ASN A 74 -6.368 7.934 -2.065 1.00 1.37 H new ATOM 0 HA ASN A 74 -3.724 7.262 -1.387 1.00 1.55 H new ATOM 0 HB2 ASN A 74 -4.157 8.346 -3.479 1.00 1.66 H new ATOM 0 HB3 ASN A 74 -5.212 9.542 -2.751 1.00 1.66 H new ATOM 0 HD21 ASN A 74 -1.184 10.272 -3.038 1.00 2.90 H new ATOM 0 HD22 ASN A 74 -1.882 8.730 -3.544 1.00 2.90 H new ATOM 1163 N MET A 75 -5.025 9.497 0.597 1.00 1.27 N ATOM 1164 CA MET A 75 -4.887 10.433 1.712 1.00 1.46 C ATOM 1165 C MET A 75 -4.116 11.703 1.315 1.00 1.55 C ATOM 1166 O MET A 75 -4.741 12.714 0.983 1.00 2.51 O ATOM 1167 CB MET A 75 -4.388 9.698 2.979 1.00 1.71 C ATOM 1168 CG MET A 75 -4.249 10.589 4.221 1.00 2.85 C ATOM 1169 SD MET A 75 -5.703 11.580 4.659 1.00 4.49 S ATOM 1170 CE MET A 75 -6.847 10.284 5.204 1.00 3.97 C ATOM 0 H MET A 75 -6.002 9.328 0.358 1.00 1.27 H new ATOM 0 HA MET A 75 -5.868 10.822 1.984 1.00 1.46 H new ATOM 0 HB2 MET A 75 -5.077 8.885 3.207 1.00 1.71 H new ATOM 0 HB3 MET A 75 -3.421 9.245 2.763 1.00 1.71 H new ATOM 0 HG2 MET A 75 -3.997 9.955 5.071 1.00 2.85 H new ATOM 0 HG3 MET A 75 -3.408 11.264 4.066 1.00 2.85 H new ATOM 0 HE1 MET A 75 -7.791 10.736 5.507 1.00 3.97 H new ATOM 0 HE2 MET A 75 -7.025 9.587 4.385 1.00 3.97 H new ATOM 0 HE3 MET A 75 -6.414 9.748 6.049 1.00 3.97 H new ATOM 1180 N ARG A 76 -2.777 11.679 1.355 1.00 1.91 N ATOM 1181 CA ARG A 76 -1.902 12.862 1.193 1.00 2.24 C ATOM 1182 C ARG A 76 -0.578 12.571 0.460 1.00 1.45 C ATOM 1183 O ARG A 76 0.345 13.380 0.535 1.00 1.50 O ATOM 1184 CB ARG A 76 -1.645 13.500 2.583 1.00 3.35 C ATOM 1185 CG ARG A 76 -2.881 14.196 3.182 1.00 4.39 C ATOM 1186 CD ARG A 76 -2.609 14.832 4.549 1.00 6.11 C ATOM 1187 NE ARG A 76 -1.642 15.936 4.467 1.00 6.62 N ATOM 1188 CZ ARG A 76 -1.492 16.920 5.374 1.00 8.07 C ATOM 1189 NH1 ARG A 76 -2.257 16.986 6.477 1.00 9.17 N ATOM 1190 NH2 ARG A 76 -0.554 17.856 5.173 1.00 8.79 N ATOM 0 H ARG A 76 -2.253 10.817 1.504 1.00 1.91 H new ATOM 0 HA ARG A 76 -2.430 13.564 0.548 1.00 2.24 H new ATOM 0 HB2 ARG A 76 -1.306 12.726 3.271 1.00 3.35 H new ATOM 0 HB3 ARG A 76 -0.837 14.226 2.496 1.00 3.35 H new ATOM 0 HG2 ARG A 76 -3.227 14.966 2.492 1.00 4.39 H new ATOM 0 HG3 ARG A 76 -3.688 13.470 3.280 1.00 4.39 H new ATOM 0 HD2 ARG A 76 -3.545 15.202 4.968 1.00 6.11 H new ATOM 0 HD3 ARG A 76 -2.232 14.071 5.233 1.00 6.11 H new ATOM 0 HE ARG A 76 -1.031 15.959 3.651 1.00 6.62 H new ATOM 0 HH11 ARG A 76 -2.973 16.279 6.644 1.00 9.17 H new ATOM 0 HH12 ARG A 76 -2.121 17.743 7.147 1.00 9.17 H new ATOM 0 HH21 ARG A 76 0.035 17.817 4.341 1.00 8.79 H new ATOM 0 HH22 ARG A 76 -0.429 18.607 5.852 1.00 8.79 H new ATOM 1204 N LEU A 77 -0.419 11.408 -0.177 1.00 1.17 N ATOM 1205 CA LEU A 77 0.895 10.930 -0.640 1.00 1.06 C ATOM 1206 C LEU A 77 1.280 11.398 -2.056 1.00 1.41 C ATOM 1207 O LEU A 77 0.483 11.281 -2.992 1.00 1.85 O ATOM 1208 CB LEU A 77 0.959 9.396 -0.541 1.00 1.25 C ATOM 1209 CG LEU A 77 0.787 8.792 0.864 1.00 1.19 C ATOM 1210 CD1 LEU A 77 0.931 7.276 0.760 1.00 1.67 C ATOM 1211 CD2 LEU A 77 1.832 9.293 1.866 1.00 2.26 C ATOM 0 H LEU A 77 -1.188 10.772 -0.387 1.00 1.17 H new ATOM 0 HA LEU A 77 1.632 11.382 0.023 1.00 1.06 H new ATOM 0 HB2 LEU A 77 0.187 8.980 -1.188 1.00 1.25 H new ATOM 0 HB3 LEU A 77 1.920 9.068 -0.938 1.00 1.25 H new ATOM 0 HG LEU A 77 -0.196 9.095 1.226 1.00 1.19 H new ATOM 0 HD11 LEU A 77 0.812 6.831 1.748 1.00 1.67 H new ATOM 0 HD12 LEU A 77 0.166 6.883 0.090 1.00 1.67 H new ATOM 0 HD13 LEU A 77 1.918 7.030 0.368 1.00 1.67 H new ATOM 0 HD21 LEU A 77 1.656 8.830 2.837 1.00 2.26 H new ATOM 0 HD22 LEU A 77 2.829 9.030 1.514 1.00 2.26 H new ATOM 0 HD23 LEU A 77 1.755 10.376 1.961 1.00 2.26 H new ATOM 1223 N GLY A 78 2.529 11.851 -2.209 1.00 1.54 N ATOM 1224 CA GLY A 78 3.250 12.045 -3.475 1.00 2.03 C ATOM 1225 C GLY A 78 4.480 11.127 -3.612 1.00 1.55 C ATOM 1226 O GLY A 78 4.790 10.360 -2.699 1.00 1.19 O ATOM 0 H GLY A 78 3.100 12.108 -1.404 1.00 1.54 H new ATOM 0 HA2 GLY A 78 2.570 11.859 -4.306 1.00 2.03 H new ATOM 0 HA3 GLY A 78 3.569 13.085 -3.550 1.00 2.03 H new ATOM 1230 N ASP A 79 5.196 11.194 -4.746 1.00 1.62 N ATOM 1231 CA ASP A 79 6.279 10.249 -5.089 1.00 1.37 C ATOM 1232 C ASP A 79 7.409 10.163 -4.038 1.00 1.12 C ATOM 1233 O ASP A 79 7.961 9.079 -3.835 1.00 1.18 O ATOM 1234 CB ASP A 79 6.902 10.600 -6.456 1.00 1.55 C ATOM 1235 CG ASP A 79 6.084 10.110 -7.656 1.00 2.65 C ATOM 1236 OD1 ASP A 79 6.196 8.914 -8.007 1.00 3.65 O ATOM 1237 OD2 ASP A 79 5.369 10.925 -8.289 1.00 3.52 O ATOM 0 H ASP A 79 5.041 11.909 -5.457 1.00 1.62 H new ATOM 0 HA ASP A 79 5.795 9.273 -5.120 1.00 1.37 H new ATOM 0 HB2 ASP A 79 7.017 11.682 -6.525 1.00 1.55 H new ATOM 0 HB3 ASP A 79 7.902 10.169 -6.510 1.00 1.55 H new ATOM 1242 N ALA A 80 7.767 11.256 -3.352 1.00 1.26 N ATOM 1243 CA ALA A 80 8.842 11.235 -2.347 1.00 1.21 C ATOM 1244 C ALA A 80 8.440 10.474 -1.070 1.00 1.03 C ATOM 1245 O ALA A 80 9.232 9.694 -0.532 1.00 1.08 O ATOM 1246 CB ALA A 80 9.271 12.673 -2.024 1.00 1.58 C ATOM 0 H ALA A 80 7.328 12.169 -3.474 1.00 1.26 H new ATOM 0 HA ALA A 80 9.687 10.693 -2.771 1.00 1.21 H new ATOM 0 HB1 ALA A 80 10.067 12.657 -1.280 1.00 1.58 H new ATOM 0 HB2 ALA A 80 9.632 13.157 -2.931 1.00 1.58 H new ATOM 0 HB3 ALA A 80 8.419 13.228 -1.631 1.00 1.58 H new ATOM 1252 N GLU A 81 7.204 10.666 -0.602 1.00 0.96 N ATOM 1253 CA GLU A 81 6.642 9.958 0.556 1.00 0.87 C ATOM 1254 C GLU A 81 6.363 8.482 0.231 1.00 0.73 C ATOM 1255 O GLU A 81 6.697 7.596 1.020 1.00 0.69 O ATOM 1256 CB GLU A 81 5.352 10.637 1.045 1.00 1.06 C ATOM 1257 CG GLU A 81 5.494 12.139 1.340 1.00 1.40 C ATOM 1258 CD GLU A 81 5.093 12.985 0.127 1.00 2.66 C ATOM 1259 OE1 GLU A 81 3.874 13.220 -0.046 1.00 2.99 O ATOM 1260 OE2 GLU A 81 5.983 13.396 -0.656 1.00 4.19 O ATOM 0 H GLU A 81 6.553 11.329 -1.023 1.00 0.96 H new ATOM 0 HA GLU A 81 7.386 10.001 1.351 1.00 0.87 H new ATOM 0 HB2 GLU A 81 4.576 10.499 0.292 1.00 1.06 H new ATOM 0 HB3 GLU A 81 5.011 10.133 1.949 1.00 1.06 H new ATOM 0 HG2 GLU A 81 4.870 12.405 2.194 1.00 1.40 H new ATOM 0 HG3 GLU A 81 6.525 12.362 1.617 1.00 1.40 H new ATOM 1267 N VAL A 82 5.827 8.210 -0.965 1.00 0.73 N ATOM 1268 CA VAL A 82 5.677 6.853 -1.517 1.00 0.71 C ATOM 1269 C VAL A 82 7.028 6.134 -1.547 1.00 0.67 C ATOM 1270 O VAL A 82 7.128 4.999 -1.084 1.00 0.68 O ATOM 1271 CB VAL A 82 5.040 6.915 -2.925 1.00 0.78 C ATOM 1272 CG1 VAL A 82 5.138 5.607 -3.712 1.00 0.95 C ATOM 1273 CG2 VAL A 82 3.553 7.267 -2.818 1.00 0.95 C ATOM 0 H VAL A 82 5.479 8.938 -1.589 1.00 0.73 H new ATOM 0 HA VAL A 82 5.011 6.281 -0.871 1.00 0.71 H new ATOM 0 HB VAL A 82 5.607 7.678 -3.459 1.00 0.78 H new ATOM 0 HG11 VAL A 82 4.668 5.733 -4.688 1.00 0.95 H new ATOM 0 HG12 VAL A 82 6.186 5.340 -3.846 1.00 0.95 H new ATOM 0 HG13 VAL A 82 4.629 4.814 -3.164 1.00 0.95 H new ATOM 0 HG21 VAL A 82 3.116 7.308 -3.816 1.00 0.95 H new ATOM 0 HG22 VAL A 82 3.041 6.507 -2.228 1.00 0.95 H new ATOM 0 HG23 VAL A 82 3.443 8.237 -2.334 1.00 0.95 H new ATOM 1283 N SER A 83 8.092 6.800 -2.002 1.00 0.68 N ATOM 1284 CA SER A 83 9.429 6.190 -2.087 1.00 0.71 C ATOM 1285 C SER A 83 10.007 5.829 -0.712 1.00 0.65 C ATOM 1286 O SER A 83 10.658 4.791 -0.584 1.00 0.64 O ATOM 1287 CB SER A 83 10.387 7.096 -2.866 1.00 0.87 C ATOM 1288 OG SER A 83 9.892 7.292 -4.182 1.00 2.22 O ATOM 0 H SER A 83 8.057 7.768 -2.320 1.00 0.68 H new ATOM 0 HA SER A 83 9.315 5.251 -2.629 1.00 0.71 H new ATOM 0 HB2 SER A 83 10.490 8.055 -2.359 1.00 0.87 H new ATOM 0 HB3 SER A 83 11.379 6.647 -2.903 1.00 0.87 H new ATOM 0 HG SER A 83 9.393 8.134 -4.222 1.00 2.22 H new ATOM 1294 N ALA A 84 9.725 6.612 0.335 1.00 0.69 N ATOM 1295 CA ALA A 84 10.090 6.272 1.713 1.00 0.69 C ATOM 1296 C ALA A 84 9.254 5.102 2.280 1.00 0.61 C ATOM 1297 O ALA A 84 9.793 4.210 2.935 1.00 0.60 O ATOM 1298 CB ALA A 84 9.961 7.541 2.562 1.00 0.80 C ATOM 0 H ALA A 84 9.235 7.503 0.249 1.00 0.69 H new ATOM 0 HA ALA A 84 11.120 5.915 1.736 1.00 0.69 H new ATOM 0 HB1 ALA A 84 10.227 7.316 3.595 1.00 0.80 H new ATOM 0 HB2 ALA A 84 10.630 8.308 2.173 1.00 0.80 H new ATOM 0 HB3 ALA A 84 8.933 7.902 2.523 1.00 0.80 H new ATOM 1304 N LEU A 85 7.950 5.047 1.979 1.00 0.60 N ATOM 1305 CA LEU A 85 7.072 3.926 2.360 1.00 0.60 C ATOM 1306 C LEU A 85 7.426 2.606 1.638 1.00 0.57 C ATOM 1307 O LEU A 85 7.193 1.531 2.184 1.00 0.70 O ATOM 1308 CB LEU A 85 5.606 4.323 2.104 1.00 0.71 C ATOM 1309 CG LEU A 85 5.047 5.378 3.082 1.00 1.07 C ATOM 1310 CD1 LEU A 85 3.684 5.857 2.581 1.00 2.48 C ATOM 1311 CD2 LEU A 85 4.859 4.814 4.493 1.00 1.43 C ATOM 0 H LEU A 85 7.469 5.782 1.461 1.00 0.60 H new ATOM 0 HA LEU A 85 7.223 3.730 3.422 1.00 0.60 H new ATOM 0 HB2 LEU A 85 5.519 4.707 1.087 1.00 0.71 H new ATOM 0 HB3 LEU A 85 4.986 3.429 2.161 1.00 0.71 H new ATOM 0 HG LEU A 85 5.768 6.195 3.126 1.00 1.07 H new ATOM 0 HD11 LEU A 85 3.285 6.603 3.269 1.00 2.48 H new ATOM 0 HD12 LEU A 85 3.795 6.299 1.591 1.00 2.48 H new ATOM 0 HD13 LEU A 85 2.999 5.011 2.526 1.00 2.48 H new ATOM 0 HD21 LEU A 85 4.464 5.592 5.146 1.00 1.43 H new ATOM 0 HD22 LEU A 85 4.160 3.978 4.461 1.00 1.43 H new ATOM 0 HD23 LEU A 85 5.819 4.470 4.878 1.00 1.43 H new ATOM 1323 N ILE A 86 8.050 2.678 0.460 1.00 0.50 N ATOM 1324 CA ILE A 86 8.611 1.524 -0.267 1.00 0.57 C ATOM 1325 C ILE A 86 9.780 0.921 0.525 1.00 0.59 C ATOM 1326 O ILE A 86 9.833 -0.298 0.711 1.00 0.73 O ATOM 1327 CB ILE A 86 8.960 1.933 -1.725 1.00 0.72 C ATOM 1328 CG1 ILE A 86 7.866 1.442 -2.697 1.00 1.04 C ATOM 1329 CG2 ILE A 86 10.310 1.399 -2.236 1.00 1.18 C ATOM 1330 CD1 ILE A 86 6.456 1.966 -2.393 1.00 0.96 C ATOM 0 H ILE A 86 8.185 3.561 -0.032 1.00 0.50 H new ATOM 0 HA ILE A 86 7.872 0.727 -0.353 1.00 0.57 H new ATOM 0 HB ILE A 86 9.026 3.021 -1.697 1.00 0.72 H new ATOM 0 HG12 ILE A 86 8.139 1.739 -3.710 1.00 1.04 H new ATOM 0 HG13 ILE A 86 7.846 0.352 -2.679 1.00 1.04 H new ATOM 0 HG21 ILE A 86 10.469 1.734 -3.261 1.00 1.18 H new ATOM 0 HG22 ILE A 86 11.113 1.775 -1.602 1.00 1.18 H new ATOM 0 HG23 ILE A 86 10.305 0.309 -2.207 1.00 1.18 H new ATOM 0 HD11 ILE A 86 5.754 1.569 -3.127 1.00 0.96 H new ATOM 0 HD12 ILE A 86 6.157 1.647 -1.395 1.00 0.96 H new ATOM 0 HD13 ILE A 86 6.454 3.055 -2.441 1.00 0.96 H new ATOM 1342 N SER A 87 10.657 1.770 1.076 1.00 0.58 N ATOM 1343 CA SER A 87 11.717 1.337 1.993 1.00 0.75 C ATOM 1344 C SER A 87 11.153 0.785 3.306 1.00 0.83 C ATOM 1345 O SER A 87 11.690 -0.198 3.812 1.00 1.04 O ATOM 1346 CB SER A 87 12.693 2.478 2.299 1.00 0.92 C ATOM 1347 OG SER A 87 13.336 2.966 1.131 1.00 1.38 O ATOM 0 H SER A 87 10.651 2.774 0.899 1.00 0.58 H new ATOM 0 HA SER A 87 12.252 0.536 1.484 1.00 0.75 H new ATOM 0 HB2 SER A 87 12.155 3.293 2.782 1.00 0.92 H new ATOM 0 HB3 SER A 87 13.445 2.129 3.006 1.00 0.92 H new ATOM 0 HG SER A 87 13.947 3.693 1.373 1.00 1.38 H new ATOM 1353 N TYR A 88 10.058 1.345 3.844 1.00 0.78 N ATOM 1354 CA TYR A 88 9.401 0.765 5.031 1.00 0.97 C ATOM 1355 C TYR A 88 8.870 -0.658 4.772 1.00 0.96 C ATOM 1356 O TYR A 88 9.113 -1.560 5.575 1.00 1.15 O ATOM 1357 CB TYR A 88 8.285 1.700 5.519 1.00 1.10 C ATOM 1358 CG TYR A 88 7.632 1.327 6.840 1.00 1.19 C ATOM 1359 CD1 TYR A 88 8.370 1.399 8.039 1.00 1.39 C ATOM 1360 CD2 TYR A 88 6.274 0.956 6.883 1.00 2.60 C ATOM 1361 CE1 TYR A 88 7.760 1.112 9.275 1.00 1.48 C ATOM 1362 CE2 TYR A 88 5.668 0.646 8.116 1.00 2.75 C ATOM 1363 CZ TYR A 88 6.405 0.723 9.313 1.00 1.58 C ATOM 1364 OH TYR A 88 5.813 0.409 10.496 1.00 1.84 O ATOM 0 H TYR A 88 9.612 2.188 3.483 1.00 0.78 H new ATOM 0 HA TYR A 88 10.152 0.671 5.816 1.00 0.97 H new ATOM 0 HB2 TYR A 88 8.695 2.706 5.611 1.00 1.10 H new ATOM 0 HB3 TYR A 88 7.511 1.740 4.753 1.00 1.10 H new ATOM 0 HD1 TYR A 88 9.413 1.677 8.009 1.00 1.39 H new ATOM 0 HD2 TYR A 88 5.698 0.909 5.971 1.00 2.60 H new ATOM 0 HE1 TYR A 88 8.328 1.189 10.191 1.00 1.48 H new ATOM 0 HE2 TYR A 88 4.631 0.347 8.143 1.00 2.75 H new ATOM 0 HH TYR A 88 4.877 0.164 10.339 1.00 1.84 H new ATOM 1374 N LEU A 89 8.199 -0.894 3.637 1.00 0.81 N ATOM 1375 CA LEU A 89 7.648 -2.212 3.293 1.00 0.86 C ATOM 1376 C LEU A 89 8.741 -3.268 3.042 1.00 0.86 C ATOM 1377 O LEU A 89 8.655 -4.362 3.600 1.00 1.10 O ATOM 1378 CB LEU A 89 6.654 -2.086 2.120 1.00 0.85 C ATOM 1379 CG LEU A 89 5.181 -2.038 2.567 1.00 1.16 C ATOM 1380 CD1 LEU A 89 4.849 -0.823 3.435 1.00 1.55 C ATOM 1381 CD2 LEU A 89 4.264 -2.008 1.341 1.00 1.91 C ATOM 0 H LEU A 89 8.023 -0.178 2.932 1.00 0.81 H new ATOM 0 HA LEU A 89 7.096 -2.580 4.158 1.00 0.86 H new ATOM 0 HB2 LEU A 89 6.884 -1.183 1.555 1.00 0.85 H new ATOM 0 HB3 LEU A 89 6.793 -2.929 1.444 1.00 0.85 H new ATOM 0 HG LEU A 89 5.020 -2.934 3.166 1.00 1.16 H new ATOM 0 HD11 LEU A 89 3.796 -0.852 3.714 1.00 1.55 H new ATOM 0 HD12 LEU A 89 5.464 -0.840 4.335 1.00 1.55 H new ATOM 0 HD13 LEU A 89 5.051 0.090 2.875 1.00 1.55 H new ATOM 0 HD21 LEU A 89 3.224 -1.974 1.665 1.00 1.91 H new ATOM 0 HD22 LEU A 89 4.486 -1.125 0.742 1.00 1.91 H new ATOM 0 HD23 LEU A 89 4.428 -2.904 0.742 1.00 1.91 H new ATOM 1393 N GLU A 90 9.783 -2.953 2.265 1.00 0.74 N ATOM 1394 CA GLU A 90 10.994 -3.782 2.145 1.00 0.78 C ATOM 1395 C GLU A 90 11.648 -4.108 3.499 1.00 1.02 C ATOM 1396 O GLU A 90 11.929 -5.277 3.767 1.00 1.20 O ATOM 1397 CB GLU A 90 12.034 -3.065 1.262 1.00 0.94 C ATOM 1398 CG GLU A 90 11.793 -3.240 -0.244 1.00 1.46 C ATOM 1399 CD GLU A 90 12.421 -4.519 -0.826 1.00 1.90 C ATOM 1400 OE1 GLU A 90 12.563 -5.545 -0.115 1.00 3.21 O ATOM 1401 OE2 GLU A 90 12.754 -4.512 -2.035 1.00 2.58 O ATOM 0 H GLU A 90 9.813 -2.108 1.695 1.00 0.74 H new ATOM 0 HA GLU A 90 10.674 -4.723 1.697 1.00 0.78 H new ATOM 0 HB2 GLU A 90 12.028 -2.001 1.500 1.00 0.94 H new ATOM 0 HB3 GLU A 90 13.027 -3.441 1.508 1.00 0.94 H new ATOM 0 HG2 GLU A 90 10.719 -3.255 -0.432 1.00 1.46 H new ATOM 0 HG3 GLU A 90 12.197 -2.375 -0.771 1.00 1.46 H new ATOM 1408 N GLU A 91 11.928 -3.113 4.343 1.00 1.08 N ATOM 1409 CA GLU A 91 12.760 -3.312 5.539 1.00 1.26 C ATOM 1410 C GLU A 91 12.002 -3.924 6.728 1.00 1.39 C ATOM 1411 O GLU A 91 12.565 -4.758 7.444 1.00 1.56 O ATOM 1412 CB GLU A 91 13.457 -2.006 5.945 1.00 1.36 C ATOM 1413 CG GLU A 91 14.521 -1.540 4.936 1.00 1.38 C ATOM 1414 CD GLU A 91 15.211 -0.238 5.372 1.00 2.23 C ATOM 1415 OE1 GLU A 91 15.300 0.040 6.594 1.00 3.22 O ATOM 1416 OE2 GLU A 91 15.702 0.523 4.504 1.00 3.29 O ATOM 0 H GLU A 91 11.591 -2.158 4.223 1.00 1.08 H new ATOM 0 HA GLU A 91 13.515 -4.046 5.259 1.00 1.26 H new ATOM 0 HB2 GLU A 91 12.707 -1.223 6.058 1.00 1.36 H new ATOM 0 HB3 GLU A 91 13.926 -2.141 6.920 1.00 1.36 H new ATOM 0 HG2 GLU A 91 15.270 -2.322 4.815 1.00 1.38 H new ATOM 0 HG3 GLU A 91 14.054 -1.392 3.962 1.00 1.38 H new ATOM 1423 N GLU A 92 10.731 -3.580 6.967 1.00 1.39 N ATOM 1424 CA GLU A 92 9.937 -4.261 8.009 1.00 1.58 C ATOM 1425 C GLU A 92 9.567 -5.699 7.600 1.00 1.75 C ATOM 1426 O GLU A 92 9.355 -6.547 8.470 1.00 2.09 O ATOM 1427 CB GLU A 92 8.690 -3.454 8.397 1.00 1.68 C ATOM 1428 CG GLU A 92 8.969 -2.053 8.961 1.00 2.58 C ATOM 1429 CD GLU A 92 9.914 -2.037 10.169 1.00 2.72 C ATOM 1430 OE1 GLU A 92 11.152 -1.967 9.980 1.00 3.29 O ATOM 1431 OE2 GLU A 92 9.451 -2.031 11.336 1.00 3.37 O ATOM 0 H GLU A 92 10.232 -2.846 6.464 1.00 1.39 H new ATOM 0 HA GLU A 92 10.571 -4.327 8.893 1.00 1.58 H new ATOM 0 HB2 GLU A 92 8.053 -3.354 7.518 1.00 1.68 H new ATOM 0 HB3 GLU A 92 8.125 -4.021 9.137 1.00 1.68 H new ATOM 0 HG2 GLU A 92 9.396 -1.435 8.172 1.00 2.58 H new ATOM 0 HG3 GLU A 92 8.023 -1.594 9.248 1.00 2.58 H new ATOM 1438 N THR A 93 9.564 -5.997 6.292 1.00 1.61 N ATOM 1439 CA THR A 93 9.533 -7.375 5.769 1.00 1.69 C ATOM 1440 C THR A 93 10.884 -8.084 5.942 1.00 1.66 C ATOM 1441 O THR A 93 10.904 -9.261 6.293 1.00 1.80 O ATOM 1442 CB THR A 93 9.084 -7.400 4.297 1.00 1.73 C ATOM 1443 OG1 THR A 93 7.794 -6.847 4.162 1.00 2.38 O ATOM 1444 CG2 THR A 93 8.983 -8.812 3.744 1.00 1.66 C ATOM 0 H THR A 93 9.583 -5.286 5.561 1.00 1.61 H new ATOM 0 HA THR A 93 8.799 -7.925 6.358 1.00 1.69 H new ATOM 0 HB THR A 93 9.838 -6.831 3.754 1.00 1.73 H new ATOM 0 HG1 THR A 93 7.868 -5.894 3.946 1.00 2.38 H new ATOM 0 HG21 THR A 93 8.663 -8.773 2.703 1.00 1.66 H new ATOM 0 HG22 THR A 93 9.957 -9.298 3.806 1.00 1.66 H new ATOM 0 HG23 THR A 93 8.257 -9.380 4.326 1.00 1.66 H new ATOM 1452 N ALA A 94 12.024 -7.399 5.781 1.00 1.54 N ATOM 1453 CA ALA A 94 13.345 -7.984 6.063 1.00 1.63 C ATOM 1454 C ALA A 94 13.482 -8.419 7.537 1.00 1.86 C ATOM 1455 O ALA A 94 13.945 -9.526 7.824 1.00 2.25 O ATOM 1456 CB ALA A 94 14.450 -6.998 5.664 1.00 1.65 C ATOM 0 H ALA A 94 12.059 -6.433 5.455 1.00 1.54 H new ATOM 0 HA ALA A 94 13.450 -8.888 5.463 1.00 1.63 H new ATOM 0 HB1 ALA A 94 15.424 -7.438 5.876 1.00 1.65 H new ATOM 0 HB2 ALA A 94 14.375 -6.779 4.599 1.00 1.65 H new ATOM 0 HB3 ALA A 94 14.337 -6.075 6.233 1.00 1.65 H new