USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 641 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 6 SER OG : rot 131:sc= 0.909 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0335 K(o=-0.034,f=-1.2) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.323 K(o=-0.32,f=-4.6!) USER MOD Single : A 15 TYR OH : rot -38:sc= 0.828 USER MOD Single : A 16 TYR OH : rot 15:sc= -0.0383 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.385 K(o=0.39,f=-1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0904 K(o=-0.09,f=-2!) USER MOD Single : A 38 ASN : amide:sc= 0.301 K(o=0.3,f=-0.8) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -151:sc= 1.25 USER MOD Single : A 47 SER OG : rot -36:sc= 0.543 USER MOD Single : A 49 ASN : amide:sc= -0.0376 K(o=-0.038,f=-1.9!) USER MOD Single : A 51 MET CE :methyl -172:sc= -0.41 (180deg=-0.634) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 21:sc= 0.956 USER MOD Single : A 55 SER OG : rot 81:sc= 0.775 USER MOD Single : A 56 THR OG1 : rot 32:sc= 0.183 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 78:sc= 0.794 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= 0.85 (180deg=0.669) USER MOD Single : A 68 SER OG : rot 88:sc= 0.417 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -158:sc= 0 (180deg=-0.00149) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 6 -3.944 -12.853 -2.991 1.00 0.54 N ATOM 76 CA SER A 6 -3.221 -11.731 -3.558 1.00 0.46 C ATOM 77 C SER A 6 -4.209 -10.617 -3.887 1.00 0.40 C ATOM 78 O SER A 6 -4.019 -9.487 -3.455 1.00 0.41 O ATOM 79 CB SER A 6 -2.402 -12.192 -4.767 1.00 0.57 C ATOM 80 OG SER A 6 -1.460 -11.210 -5.128 1.00 0.74 O ATOM 0 HA SER A 6 -2.506 -11.329 -2.840 1.00 0.46 H new ATOM 0 HB2 SER A 6 -1.891 -13.126 -4.533 1.00 0.57 H new ATOM 0 HB3 SER A 6 -3.066 -12.394 -5.608 1.00 0.57 H new ATOM 0 HG SER A 6 -0.579 -11.625 -5.235 1.00 0.74 H new ATOM 86 N THR A 7 -5.310 -10.935 -4.570 1.00 0.47 N ATOM 87 CA THR A 7 -6.321 -9.965 -4.944 1.00 0.50 C ATOM 88 C THR A 7 -7.074 -9.430 -3.738 1.00 0.44 C ATOM 89 O THR A 7 -7.367 -8.242 -3.714 1.00 0.45 O ATOM 90 CB THR A 7 -7.240 -10.506 -6.045 1.00 0.65 C ATOM 91 OG1 THR A 7 -6.455 -10.786 -7.181 1.00 0.76 O ATOM 92 CG2 THR A 7 -8.292 -9.496 -6.486 1.00 0.73 C ATOM 0 H THR A 7 -5.520 -11.884 -4.878 1.00 0.47 H new ATOM 0 HA THR A 7 -5.809 -9.104 -5.373 1.00 0.50 H new ATOM 0 HB THR A 7 -7.741 -11.385 -5.639 1.00 0.65 H new ATOM 0 HG1 THR A 7 -7.027 -11.135 -7.896 1.00 0.76 H new ATOM 0 HG21 THR A 7 -8.913 -9.935 -7.267 1.00 0.73 H new ATOM 0 HG22 THR A 7 -8.917 -9.226 -5.635 1.00 0.73 H new ATOM 0 HG23 THR A 7 -7.800 -8.603 -6.873 1.00 0.73 H new ATOM 100 N GLN A 8 -7.332 -10.236 -2.707 1.00 0.45 N ATOM 101 CA GLN A 8 -7.942 -9.737 -1.475 1.00 0.49 C ATOM 102 C GLN A 8 -7.131 -8.566 -0.968 1.00 0.46 C ATOM 103 O GLN A 8 -7.656 -7.508 -0.627 1.00 0.58 O ATOM 104 CB GLN A 8 -7.925 -10.823 -0.395 1.00 0.63 C ATOM 105 CG GLN A 8 -9.093 -11.809 -0.514 1.00 0.80 C ATOM 106 CD GLN A 8 -10.422 -11.196 -0.077 1.00 1.07 C ATOM 107 OE1 GLN A 8 -10.466 -10.156 0.567 1.00 1.68 O ATOM 108 NE2 GLN A 8 -11.535 -11.834 -0.412 1.00 1.60 N ATOM 0 H GLN A 8 -7.128 -11.235 -2.701 1.00 0.45 H new ATOM 0 HA GLN A 8 -8.970 -9.443 -1.686 1.00 0.49 H new ATOM 0 HB2 GLN A 8 -6.986 -11.373 -0.456 1.00 0.63 H new ATOM 0 HB3 GLN A 8 -7.955 -10.351 0.587 1.00 0.63 H new ATOM 0 HG2 GLN A 8 -9.175 -12.148 -1.547 1.00 0.80 H new ATOM 0 HG3 GLN A 8 -8.885 -12.689 0.094 1.00 0.80 H new ATOM 0 HE21 GLN A 8 -11.485 -12.700 -0.949 1.00 1.60 H new ATOM 0 HE22 GLN A 8 -12.442 -11.459 -0.133 1.00 1.60 H new ATOM 117 N ILE A 9 -5.826 -8.785 -0.922 1.00 0.39 N ATOM 118 CA ILE A 9 -4.909 -7.840 -0.343 1.00 0.39 C ATOM 119 C ILE A 9 -4.834 -6.644 -1.265 1.00 0.35 C ATOM 120 O ILE A 9 -4.776 -5.516 -0.806 1.00 0.41 O ATOM 121 CB ILE A 9 -3.553 -8.525 -0.148 1.00 0.51 C ATOM 122 CG1 ILE A 9 -3.695 -9.499 1.023 1.00 1.41 C ATOM 123 CG2 ILE A 9 -2.447 -7.518 0.151 1.00 1.11 C ATOM 124 CD1 ILE A 9 -2.598 -10.557 1.008 1.00 1.82 C ATOM 0 H ILE A 9 -5.381 -9.627 -1.288 1.00 0.39 H new ATOM 0 HA ILE A 9 -5.238 -7.493 0.637 1.00 0.39 H new ATOM 0 HB ILE A 9 -3.275 -9.043 -1.066 1.00 0.51 H new ATOM 0 HG12 ILE A 9 -3.657 -8.948 1.962 1.00 1.41 H new ATOM 0 HG13 ILE A 9 -4.670 -9.984 0.977 1.00 1.41 H new ATOM 0 HG21 ILE A 9 -1.502 -8.044 0.283 1.00 1.11 H new ATOM 0 HG22 ILE A 9 -2.359 -6.817 -0.679 1.00 1.11 H new ATOM 0 HG23 ILE A 9 -2.689 -6.972 1.063 1.00 1.11 H new ATOM 0 HD11 ILE A 9 -2.731 -11.231 1.854 1.00 1.82 H new ATOM 0 HD12 ILE A 9 -2.653 -11.125 0.079 1.00 1.82 H new ATOM 0 HD13 ILE A 9 -1.624 -10.073 1.080 1.00 1.82 H new ATOM 136 N LEU A 10 -4.855 -6.890 -2.567 1.00 0.33 N ATOM 137 CA LEU A 10 -4.747 -5.864 -3.586 1.00 0.41 C ATOM 138 C LEU A 10 -5.869 -4.843 -3.428 1.00 0.39 C ATOM 139 O LEU A 10 -5.612 -3.640 -3.350 1.00 0.41 O ATOM 140 CB LEU A 10 -4.747 -6.573 -4.941 1.00 0.54 C ATOM 141 CG LEU A 10 -3.568 -6.165 -5.808 1.00 0.70 C ATOM 142 CD1 LEU A 10 -3.344 -7.245 -6.865 1.00 1.57 C ATOM 143 CD2 LEU A 10 -3.871 -4.824 -6.451 1.00 1.64 C ATOM 0 H LEU A 10 -4.950 -7.831 -2.950 1.00 0.33 H new ATOM 0 HA LEU A 10 -3.824 -5.292 -3.495 1.00 0.41 H new ATOM 0 HB2 LEU A 10 -4.723 -7.651 -4.784 1.00 0.54 H new ATOM 0 HB3 LEU A 10 -5.675 -6.348 -5.466 1.00 0.54 H new ATOM 0 HG LEU A 10 -2.661 -6.064 -5.212 1.00 0.70 H new ATOM 0 HD11 LEU A 10 -2.500 -6.967 -7.496 1.00 1.57 H new ATOM 0 HD12 LEU A 10 -3.133 -8.195 -6.375 1.00 1.57 H new ATOM 0 HD13 LEU A 10 -4.239 -7.344 -7.479 1.00 1.57 H new ATOM 0 HD21 LEU A 10 -3.030 -4.522 -7.076 1.00 1.64 H new ATOM 0 HD22 LEU A 10 -4.767 -4.909 -7.065 1.00 1.64 H new ATOM 0 HD23 LEU A 10 -4.033 -4.076 -5.674 1.00 1.64 H new ATOM 155 N LYS A 11 -7.104 -5.332 -3.290 1.00 0.38 N ATOM 156 CA LYS A 11 -8.245 -4.483 -2.975 1.00 0.41 C ATOM 157 C LYS A 11 -7.973 -3.747 -1.674 1.00 0.39 C ATOM 158 O LYS A 11 -8.219 -2.555 -1.560 1.00 0.53 O ATOM 159 CB LYS A 11 -9.536 -5.302 -2.798 1.00 0.62 C ATOM 160 CG LYS A 11 -10.265 -5.661 -4.093 1.00 1.34 C ATOM 161 CD LYS A 11 -9.623 -6.813 -4.863 1.00 1.76 C ATOM 162 CE LYS A 11 -10.374 -7.068 -6.170 1.00 2.32 C ATOM 163 NZ LYS A 11 -11.495 -8.014 -6.042 1.00 2.95 N ATOM 0 H LYS A 11 -7.335 -6.320 -3.393 1.00 0.38 H new ATOM 0 HA LYS A 11 -8.381 -3.790 -3.805 1.00 0.41 H new ATOM 0 HB2 LYS A 11 -9.292 -6.224 -2.270 1.00 0.62 H new ATOM 0 HB3 LYS A 11 -10.218 -4.740 -2.160 1.00 0.62 H new ATOM 0 HG2 LYS A 11 -11.296 -5.924 -3.857 1.00 1.34 H new ATOM 0 HG3 LYS A 11 -10.299 -4.781 -4.736 1.00 1.34 H new ATOM 0 HD2 LYS A 11 -8.580 -6.579 -5.076 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -9.629 -7.715 -4.251 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -10.754 -6.120 -6.550 1.00 2.32 H new ATOM 0 HE3 LYS A 11 -9.672 -7.450 -6.912 1.00 2.32 H new ATOM 0 HZ1 LYS A 11 -11.954 -8.136 -6.967 1.00 2.95 H new ATOM 0 HZ2 LYS A 11 -11.138 -8.932 -5.709 1.00 2.95 H new ATOM 0 HZ3 LYS A 11 -12.186 -7.643 -5.359 1.00 2.95 H new ATOM 177 N GLN A 12 -7.514 -4.479 -0.663 1.00 0.36 N ATOM 178 CA GLN A 12 -7.365 -3.965 0.692 1.00 0.41 C ATOM 179 C GLN A 12 -6.314 -2.849 0.758 1.00 0.40 C ATOM 180 O GLN A 12 -6.421 -1.941 1.580 1.00 0.48 O ATOM 181 CB GLN A 12 -7.018 -5.115 1.651 1.00 0.51 C ATOM 182 CG GLN A 12 -7.629 -4.917 3.045 1.00 1.14 C ATOM 183 CD GLN A 12 -9.095 -5.355 3.147 1.00 1.09 C ATOM 184 OE1 GLN A 12 -9.610 -5.539 4.247 1.00 1.91 O ATOM 185 NE2 GLN A 12 -9.801 -5.534 2.037 1.00 1.81 N ATOM 0 H GLN A 12 -7.233 -5.454 -0.764 1.00 0.36 H new ATOM 0 HA GLN A 12 -8.314 -3.526 1.001 1.00 0.41 H new ATOM 0 HB2 GLN A 12 -7.375 -6.055 1.231 1.00 0.51 H new ATOM 0 HB3 GLN A 12 -5.935 -5.196 1.740 1.00 0.51 H new ATOM 0 HG2 GLN A 12 -7.041 -5.477 3.772 1.00 1.14 H new ATOM 0 HG3 GLN A 12 -7.554 -3.864 3.318 1.00 1.14 H new ATOM 0 HE21 GLN A 12 -9.368 -5.380 1.127 1.00 1.81 H new ATOM 0 HE22 GLN A 12 -10.777 -5.826 2.095 1.00 1.81 H new ATOM 194 N VAL A 13 -5.291 -2.921 -0.090 1.00 0.38 N ATOM 195 CA VAL A 13 -4.205 -1.965 -0.157 1.00 0.42 C ATOM 196 C VAL A 13 -4.769 -0.691 -0.757 1.00 0.43 C ATOM 197 O VAL A 13 -4.683 0.369 -0.141 1.00 0.52 O ATOM 198 CB VAL A 13 -3.051 -2.575 -0.977 1.00 0.45 C ATOM 199 CG1 VAL A 13 -2.074 -1.531 -1.520 1.00 0.71 C ATOM 200 CG2 VAL A 13 -2.249 -3.554 -0.115 1.00 0.76 C ATOM 0 H VAL A 13 -5.198 -3.675 -0.770 1.00 0.38 H new ATOM 0 HA VAL A 13 -3.791 -1.725 0.822 1.00 0.42 H new ATOM 0 HB VAL A 13 -3.524 -3.076 -1.822 1.00 0.45 H new ATOM 0 HG11 VAL A 13 -1.287 -2.029 -2.087 1.00 0.71 H new ATOM 0 HG12 VAL A 13 -2.607 -0.838 -2.171 1.00 0.71 H new ATOM 0 HG13 VAL A 13 -1.630 -0.981 -0.690 1.00 0.71 H new ATOM 0 HG21 VAL A 13 -1.437 -3.978 -0.706 1.00 0.76 H new ATOM 0 HG22 VAL A 13 -1.835 -3.027 0.745 1.00 0.76 H new ATOM 0 HG23 VAL A 13 -2.903 -4.355 0.230 1.00 0.76 H new ATOM 210 N GLU A 14 -5.373 -0.786 -1.944 1.00 0.39 N ATOM 211 CA GLU A 14 -5.938 0.390 -2.586 1.00 0.46 C ATOM 212 C GLU A 14 -7.047 0.993 -1.727 1.00 0.39 C ATOM 213 O GLU A 14 -7.234 2.205 -1.738 1.00 0.38 O ATOM 214 CB GLU A 14 -6.382 0.075 -4.024 1.00 0.58 C ATOM 215 CG GLU A 14 -7.896 0.127 -4.258 1.00 1.39 C ATOM 216 CD GLU A 14 -8.195 -0.118 -5.730 1.00 1.99 C ATOM 217 OE1 GLU A 14 -7.991 0.832 -6.522 1.00 2.89 O ATOM 218 OE2 GLU A 14 -8.571 -1.263 -6.052 1.00 2.88 O ATOM 0 H GLU A 14 -5.480 -1.654 -2.469 1.00 0.39 H new ATOM 0 HA GLU A 14 -5.165 1.154 -2.671 1.00 0.46 H new ATOM 0 HB2 GLU A 14 -5.900 0.781 -4.700 1.00 0.58 H new ATOM 0 HB3 GLU A 14 -6.022 -0.919 -4.291 1.00 0.58 H new ATOM 0 HG2 GLU A 14 -8.395 -0.624 -3.646 1.00 1.39 H new ATOM 0 HG3 GLU A 14 -8.288 1.098 -3.954 1.00 1.39 H new ATOM 225 N TYR A 15 -7.768 0.168 -0.966 1.00 0.35 N ATOM 226 CA TYR A 15 -8.905 0.564 -0.170 1.00 0.31 C ATOM 227 C TYR A 15 -8.488 1.654 0.812 1.00 0.32 C ATOM 228 O TYR A 15 -9.180 2.659 0.925 1.00 0.36 O ATOM 229 CB TYR A 15 -9.507 -0.681 0.497 1.00 0.34 C ATOM 230 CG TYR A 15 -10.115 -0.405 1.843 1.00 0.43 C ATOM 231 CD1 TYR A 15 -11.328 0.294 1.937 1.00 0.78 C ATOM 232 CD2 TYR A 15 -9.385 -0.731 2.996 1.00 0.61 C ATOM 233 CE1 TYR A 15 -11.792 0.710 3.193 1.00 0.92 C ATOM 234 CE2 TYR A 15 -9.846 -0.319 4.251 1.00 0.71 C ATOM 235 CZ TYR A 15 -11.038 0.433 4.357 1.00 0.73 C ATOM 236 OH TYR A 15 -11.430 0.928 5.563 1.00 0.91 O ATOM 0 H TYR A 15 -7.559 -0.828 -0.892 1.00 0.35 H new ATOM 0 HA TYR A 15 -9.690 0.999 -0.788 1.00 0.31 H new ATOM 0 HB2 TYR A 15 -10.270 -1.101 -0.158 1.00 0.34 H new ATOM 0 HB3 TYR A 15 -8.729 -1.437 0.607 1.00 0.34 H new ATOM 0 HD1 TYR A 15 -11.901 0.510 1.047 1.00 0.78 H new ATOM 0 HD2 TYR A 15 -8.470 -1.298 2.915 1.00 0.61 H new ATOM 0 HE1 TYR A 15 -12.728 1.243 3.272 1.00 0.92 H new ATOM 0 HE2 TYR A 15 -9.290 -0.576 5.140 1.00 0.71 H new ATOM 0 HH TYR A 15 -11.778 1.837 5.446 1.00 0.91 H new ATOM 246 N TYR A 16 -7.339 1.516 1.478 1.00 0.36 N ATOM 247 CA TYR A 16 -6.878 2.550 2.400 1.00 0.44 C ATOM 248 C TYR A 16 -6.727 3.921 1.726 1.00 0.47 C ATOM 249 O TYR A 16 -6.921 4.952 2.370 1.00 0.61 O ATOM 250 CB TYR A 16 -5.591 2.095 3.103 1.00 0.54 C ATOM 251 CG TYR A 16 -5.743 1.068 4.209 1.00 0.62 C ATOM 252 CD1 TYR A 16 -6.803 1.140 5.131 1.00 1.76 C ATOM 253 CD2 TYR A 16 -4.739 0.100 4.386 1.00 1.70 C ATOM 254 CE1 TYR A 16 -6.829 0.283 6.241 1.00 1.78 C ATOM 255 CE2 TYR A 16 -4.748 -0.743 5.509 1.00 1.89 C ATOM 256 CZ TYR A 16 -5.785 -0.640 6.459 1.00 1.06 C ATOM 257 OH TYR A 16 -5.768 -1.399 7.593 1.00 1.32 O ATOM 0 H TYR A 16 -6.720 0.709 1.397 1.00 0.36 H new ATOM 0 HA TYR A 16 -7.648 2.688 3.159 1.00 0.44 H new ATOM 0 HB2 TYR A 16 -4.919 1.686 2.349 1.00 0.54 H new ATOM 0 HB3 TYR A 16 -5.103 2.975 3.521 1.00 0.54 H new ATOM 0 HD1 TYR A 16 -7.598 1.856 4.984 1.00 1.76 H new ATOM 0 HD2 TYR A 16 -3.953 0.004 3.651 1.00 1.70 H new ATOM 0 HE1 TYR A 16 -7.655 0.330 6.935 1.00 1.78 H new ATOM 0 HE2 TYR A 16 -3.961 -1.470 5.645 1.00 1.89 H new ATOM 0 HH TYR A 16 -6.647 -1.362 8.024 1.00 1.32 H new ATOM 267 N PHE A 17 -6.414 3.960 0.432 1.00 0.44 N ATOM 268 CA PHE A 17 -6.362 5.209 -0.317 1.00 0.53 C ATOM 269 C PHE A 17 -7.756 5.623 -0.788 1.00 0.67 C ATOM 270 O PHE A 17 -8.062 6.811 -0.864 1.00 1.07 O ATOM 271 CB PHE A 17 -5.395 5.064 -1.500 1.00 0.61 C ATOM 272 CG PHE A 17 -3.990 4.753 -1.034 1.00 0.68 C ATOM 273 CD1 PHE A 17 -3.633 3.426 -0.735 1.00 0.95 C ATOM 274 CD2 PHE A 17 -3.077 5.795 -0.794 1.00 1.26 C ATOM 275 CE1 PHE A 17 -2.391 3.142 -0.148 1.00 1.14 C ATOM 276 CE2 PHE A 17 -1.828 5.513 -0.220 1.00 1.56 C ATOM 277 CZ PHE A 17 -1.496 4.188 0.123 1.00 1.31 C ATOM 0 H PHE A 17 -6.191 3.132 -0.121 1.00 0.44 H new ATOM 0 HA PHE A 17 -5.994 5.998 0.338 1.00 0.53 H new ATOM 0 HB2 PHE A 17 -5.744 4.271 -2.161 1.00 0.61 H new ATOM 0 HB3 PHE A 17 -5.391 5.985 -2.082 1.00 0.61 H new ATOM 0 HD1 PHE A 17 -4.318 2.622 -0.958 1.00 0.95 H new ATOM 0 HD2 PHE A 17 -3.337 6.811 -1.051 1.00 1.26 H new ATOM 0 HE1 PHE A 17 -2.125 2.124 0.094 1.00 1.14 H new ATOM 0 HE2 PHE A 17 -1.122 6.311 -0.042 1.00 1.56 H new ATOM 0 HZ PHE A 17 -0.549 3.976 0.597 1.00 1.31 H new ATOM 287 N SER A 18 -8.587 4.641 -1.128 1.00 0.43 N ATOM 288 CA SER A 18 -9.867 4.808 -1.791 1.00 0.50 C ATOM 289 C SER A 18 -10.947 5.288 -0.836 1.00 0.50 C ATOM 290 O SER A 18 -11.878 5.986 -1.226 1.00 0.66 O ATOM 291 CB SER A 18 -10.228 3.459 -2.429 1.00 0.61 C ATOM 292 OG SER A 18 -11.315 3.533 -3.324 1.00 0.70 O ATOM 0 H SER A 18 -8.371 3.663 -0.937 1.00 0.43 H new ATOM 0 HA SER A 18 -9.794 5.582 -2.555 1.00 0.50 H new ATOM 0 HB2 SER A 18 -9.357 3.072 -2.958 1.00 0.61 H new ATOM 0 HB3 SER A 18 -10.465 2.745 -1.640 1.00 0.61 H new ATOM 0 HG SER A 18 -11.493 2.644 -3.696 1.00 0.70 H new ATOM 298 N ASP A 19 -10.796 4.975 0.443 1.00 0.43 N ATOM 299 CA ASP A 19 -11.763 5.266 1.488 1.00 0.45 C ATOM 300 C ASP A 19 -11.484 6.659 2.054 1.00 0.43 C ATOM 301 O ASP A 19 -11.668 6.917 3.239 1.00 0.52 O ATOM 302 CB ASP A 19 -11.559 4.148 2.508 1.00 0.49 C ATOM 303 CG ASP A 19 -12.631 4.064 3.593 1.00 0.69 C ATOM 304 OD1 ASP A 19 -13.777 4.472 3.308 1.00 1.76 O ATOM 305 OD2 ASP A 19 -12.316 3.476 4.657 1.00 1.42 O ATOM 0 H ASP A 19 -9.967 4.494 0.792 1.00 0.43 H new ATOM 0 HA ASP A 19 -12.799 5.289 1.151 1.00 0.45 H new ATOM 0 HB2 ASP A 19 -11.523 3.196 1.979 1.00 0.49 H new ATOM 0 HB3 ASP A 19 -10.589 4.284 2.986 1.00 0.49 H new ATOM 310 N SER A 20 -10.938 7.539 1.202 1.00 0.51 N ATOM 311 CA SER A 20 -10.297 8.805 1.524 1.00 0.50 C ATOM 312 C SER A 20 -9.517 8.766 2.837 1.00 0.48 C ATOM 313 O SER A 20 -9.408 9.783 3.522 1.00 0.54 O ATOM 314 CB SER A 20 -11.357 9.903 1.511 1.00 0.56 C ATOM 315 OG SER A 20 -11.876 10.011 0.200 1.00 1.53 O ATOM 0 H SER A 20 -10.937 7.363 0.197 1.00 0.51 H new ATOM 0 HA SER A 20 -9.544 9.017 0.765 1.00 0.50 H new ATOM 0 HB2 SER A 20 -12.155 9.668 2.216 1.00 0.56 H new ATOM 0 HB3 SER A 20 -10.923 10.852 1.826 1.00 0.56 H new ATOM 0 HG SER A 20 -12.560 10.712 0.176 1.00 1.53 H new ATOM 321 N ASN A 21 -8.942 7.614 3.196 1.00 0.47 N ATOM 322 CA ASN A 21 -8.414 7.461 4.538 1.00 0.47 C ATOM 323 C ASN A 21 -6.947 7.864 4.603 1.00 0.39 C ATOM 324 O ASN A 21 -6.468 8.145 5.691 1.00 0.43 O ATOM 325 CB ASN A 21 -8.683 6.058 5.101 1.00 0.56 C ATOM 326 CG ASN A 21 -8.513 6.057 6.621 1.00 1.00 C ATOM 327 OD1 ASN A 21 -9.046 6.923 7.314 1.00 1.45 O ATOM 328 ND2 ASN A 21 -7.786 5.089 7.160 1.00 1.88 N ATOM 0 H ASN A 21 -8.836 6.800 2.590 1.00 0.47 H new ATOM 0 HA ASN A 21 -8.951 8.149 5.191 1.00 0.47 H new ATOM 0 HB2 ASN A 21 -9.693 5.741 4.841 1.00 0.56 H new ATOM 0 HB3 ASN A 21 -7.998 5.340 4.651 1.00 0.56 H new ATOM 0 HD21 ASN A 21 -7.658 5.050 8.171 1.00 1.88 H new ATOM 0 HD22 ASN A 21 -7.355 4.383 6.564 1.00 1.88 H new ATOM 335 N PHE A 22 -6.220 7.976 3.482 1.00 0.38 N ATOM 336 CA PHE A 22 -4.844 8.458 3.529 1.00 0.40 C ATOM 337 C PHE A 22 -4.753 9.847 4.153 1.00 0.42 C ATOM 338 O PHE A 22 -3.964 10.021 5.081 1.00 0.48 O ATOM 339 CB PHE A 22 -4.170 8.314 2.151 1.00 0.52 C ATOM 340 CG PHE A 22 -3.494 9.510 1.504 1.00 0.54 C ATOM 341 CD1 PHE A 22 -2.615 10.357 2.209 1.00 1.71 C ATOM 342 CD2 PHE A 22 -3.689 9.720 0.129 1.00 1.91 C ATOM 343 CE1 PHE A 22 -2.032 11.460 1.566 1.00 1.80 C ATOM 344 CE2 PHE A 22 -3.062 10.795 -0.515 1.00 2.32 C ATOM 345 CZ PHE A 22 -2.250 11.683 0.201 1.00 1.53 C ATOM 0 H PHE A 22 -6.560 7.742 2.549 1.00 0.38 H new ATOM 0 HA PHE A 22 -4.264 7.826 4.201 1.00 0.40 H new ATOM 0 HB2 PHE A 22 -3.421 7.527 2.238 1.00 0.52 H new ATOM 0 HB3 PHE A 22 -4.929 7.956 1.455 1.00 0.52 H new ATOM 0 HD1 PHE A 22 -2.390 10.157 3.246 1.00 1.71 H new ATOM 0 HD2 PHE A 22 -4.324 9.051 -0.433 1.00 1.91 H new ATOM 0 HE1 PHE A 22 -1.411 12.142 2.128 1.00 1.80 H new ATOM 0 HE2 PHE A 22 -3.207 10.940 -1.575 1.00 2.32 H new ATOM 0 HZ PHE A 22 -1.797 12.530 -0.294 1.00 1.53 H new ATOM 355 N PRO A 23 -5.501 10.860 3.692 1.00 0.44 N ATOM 356 CA PRO A 23 -5.318 12.196 4.224 1.00 0.52 C ATOM 357 C PRO A 23 -5.648 12.275 5.717 1.00 0.51 C ATOM 358 O PRO A 23 -5.162 13.167 6.412 1.00 0.58 O ATOM 359 CB PRO A 23 -6.199 13.116 3.374 1.00 0.61 C ATOM 360 CG PRO A 23 -7.233 12.169 2.768 1.00 0.55 C ATOM 361 CD PRO A 23 -6.444 10.874 2.588 1.00 0.49 C ATOM 0 HA PRO A 23 -4.274 12.503 4.164 1.00 0.52 H new ATOM 0 HB2 PRO A 23 -6.671 13.890 3.979 1.00 0.61 H new ATOM 0 HB3 PRO A 23 -5.620 13.624 2.602 1.00 0.61 H new ATOM 0 HG2 PRO A 23 -8.090 12.032 3.427 1.00 0.55 H new ATOM 0 HG3 PRO A 23 -7.617 12.544 1.819 1.00 0.55 H new ATOM 0 HD2 PRO A 23 -7.100 10.004 2.616 1.00 0.49 H new ATOM 0 HD3 PRO A 23 -5.929 10.854 1.627 1.00 0.49 H new ATOM 369 N ARG A 24 -6.485 11.355 6.205 1.00 0.47 N ATOM 370 CA ARG A 24 -6.908 11.293 7.591 1.00 0.52 C ATOM 371 C ARG A 24 -5.835 10.631 8.455 1.00 0.53 C ATOM 372 O ARG A 24 -5.447 11.160 9.496 1.00 0.86 O ATOM 373 CB ARG A 24 -8.212 10.489 7.633 1.00 0.62 C ATOM 374 CG ARG A 24 -8.949 10.675 8.959 1.00 0.76 C ATOM 375 CD ARG A 24 -9.937 9.523 9.140 1.00 1.03 C ATOM 376 NE ARG A 24 -10.788 9.725 10.320 1.00 1.55 N ATOM 377 CZ ARG A 24 -11.587 8.785 10.838 1.00 2.09 C ATOM 378 NH1 ARG A 24 -11.625 7.570 10.291 1.00 2.43 N ATOM 379 NH2 ARG A 24 -12.346 9.069 11.899 1.00 2.72 N ATOM 0 H ARG A 24 -6.892 10.619 5.627 1.00 0.47 H new ATOM 0 HA ARG A 24 -7.064 12.296 7.989 1.00 0.52 H new ATOM 0 HB2 ARG A 24 -8.857 10.800 6.811 1.00 0.62 H new ATOM 0 HB3 ARG A 24 -7.993 9.432 7.484 1.00 0.62 H new ATOM 0 HG2 ARG A 24 -8.239 10.696 9.786 1.00 0.76 H new ATOM 0 HG3 ARG A 24 -9.476 11.629 8.967 1.00 0.76 H new ATOM 0 HD2 ARG A 24 -10.561 9.434 8.251 1.00 1.03 H new ATOM 0 HD3 ARG A 24 -9.390 8.585 9.240 1.00 1.03 H new ATOM 0 HE ARG A 24 -10.769 10.639 10.773 1.00 1.55 H new ATOM 0 HH11 ARG A 24 -11.046 7.358 9.479 1.00 2.43 H new ATOM 0 HH12 ARG A 24 -12.234 6.852 10.685 1.00 2.43 H new ATOM 0 HH21 ARG A 24 -12.316 10.001 12.313 1.00 2.72 H new ATOM 0 HH22 ARG A 24 -12.956 8.354 12.296 1.00 2.72 H new ATOM 393 N ASP A 25 -5.406 9.432 8.071 1.00 0.37 N ATOM 394 CA ASP A 25 -4.556 8.596 8.896 1.00 0.37 C ATOM 395 C ASP A 25 -3.124 9.068 8.730 1.00 0.34 C ATOM 396 O ASP A 25 -2.442 8.734 7.762 1.00 0.40 O ATOM 397 CB ASP A 25 -4.702 7.106 8.531 1.00 0.53 C ATOM 398 CG ASP A 25 -5.250 6.321 9.716 1.00 1.30 C ATOM 399 OD1 ASP A 25 -4.676 6.511 10.812 1.00 2.38 O ATOM 400 OD2 ASP A 25 -6.225 5.562 9.513 1.00 2.07 O ATOM 0 H ASP A 25 -5.643 9.015 7.171 1.00 0.37 H new ATOM 0 HA ASP A 25 -4.856 8.686 9.940 1.00 0.37 H new ATOM 0 HB2 ASP A 25 -5.369 6.998 7.675 1.00 0.53 H new ATOM 0 HB3 ASP A 25 -3.734 6.701 8.234 1.00 0.53 H new ATOM 405 N LYS A 26 -2.629 9.844 9.693 1.00 0.36 N ATOM 406 CA LYS A 26 -1.272 10.361 9.595 1.00 0.48 C ATOM 407 C LYS A 26 -0.212 9.260 9.583 1.00 0.33 C ATOM 408 O LYS A 26 0.930 9.552 9.270 1.00 0.35 O ATOM 409 CB LYS A 26 -0.967 11.472 10.610 1.00 0.89 C ATOM 410 CG LYS A 26 -0.785 11.033 12.070 1.00 1.51 C ATOM 411 CD LYS A 26 -2.110 10.878 12.821 1.00 2.15 C ATOM 412 CE LYS A 26 -1.797 10.706 14.311 1.00 3.13 C ATOM 413 NZ LYS A 26 -3.024 10.667 15.134 1.00 4.24 N ATOM 0 H LYS A 26 -3.138 10.122 10.532 1.00 0.36 H new ATOM 0 HA LYS A 26 -1.217 10.839 8.617 1.00 0.48 H new ATOM 0 HB2 LYS A 26 -0.059 11.985 10.292 1.00 0.89 H new ATOM 0 HB3 LYS A 26 -1.776 12.202 10.571 1.00 0.89 H new ATOM 0 HG2 LYS A 26 -0.248 10.085 12.094 1.00 1.51 H new ATOM 0 HG3 LYS A 26 -0.164 11.764 12.588 1.00 1.51 H new ATOM 0 HD2 LYS A 26 -2.741 11.753 12.663 1.00 2.15 H new ATOM 0 HD3 LYS A 26 -2.661 10.016 12.446 1.00 2.15 H new ATOM 0 HE2 LYS A 26 -1.232 9.786 14.459 1.00 3.13 H new ATOM 0 HE3 LYS A 26 -1.162 11.527 14.645 1.00 3.13 H new ATOM 0 HZ1 LYS A 26 -2.767 10.550 16.135 1.00 4.24 H new ATOM 0 HZ2 LYS A 26 -3.551 11.555 15.014 1.00 4.24 H new ATOM 0 HZ3 LYS A 26 -3.618 9.868 14.833 1.00 4.24 H new ATOM 427 N PHE A 27 -0.564 8.007 9.876 1.00 0.32 N ATOM 428 CA PHE A 27 0.283 6.856 9.603 1.00 0.33 C ATOM 429 C PHE A 27 0.616 6.794 8.114 1.00 0.34 C ATOM 430 O PHE A 27 1.785 6.805 7.740 1.00 0.41 O ATOM 431 CB PHE A 27 -0.462 5.599 10.059 1.00 0.38 C ATOM 432 CG PHE A 27 0.377 4.349 9.961 1.00 0.39 C ATOM 433 CD1 PHE A 27 1.446 4.182 10.854 1.00 1.63 C ATOM 434 CD2 PHE A 27 0.118 3.374 8.980 1.00 1.79 C ATOM 435 CE1 PHE A 27 2.258 3.044 10.770 1.00 1.62 C ATOM 436 CE2 PHE A 27 0.920 2.222 8.910 1.00 1.81 C ATOM 437 CZ PHE A 27 1.991 2.056 9.805 1.00 0.43 C ATOM 0 H PHE A 27 -1.453 7.766 10.313 1.00 0.32 H new ATOM 0 HA PHE A 27 1.225 6.934 10.145 1.00 0.33 H new ATOM 0 HB2 PHE A 27 -0.789 5.731 11.091 1.00 0.38 H new ATOM 0 HB3 PHE A 27 -1.360 5.476 9.454 1.00 0.38 H new ATOM 0 HD1 PHE A 27 1.643 4.931 11.607 1.00 1.63 H new ATOM 0 HD2 PHE A 27 -0.695 3.511 8.283 1.00 1.79 H new ATOM 0 HE1 PHE A 27 3.091 2.925 11.447 1.00 1.62 H new ATOM 0 HE2 PHE A 27 0.713 1.464 8.169 1.00 1.81 H new ATOM 0 HZ PHE A 27 2.608 1.171 9.752 1.00 0.43 H new ATOM 447 N LEU A 28 -0.415 6.772 7.264 1.00 0.31 N ATOM 448 CA LEU A 28 -0.224 6.830 5.818 1.00 0.29 C ATOM 449 C LEU A 28 0.515 8.112 5.487 1.00 0.31 C ATOM 450 O LEU A 28 1.544 8.103 4.823 1.00 0.37 O ATOM 451 CB LEU A 28 -1.574 6.843 5.083 1.00 0.28 C ATOM 452 CG LEU A 28 -2.086 5.430 4.767 1.00 0.39 C ATOM 453 CD1 LEU A 28 -3.577 5.266 5.081 1.00 0.48 C ATOM 454 CD2 LEU A 28 -1.836 5.085 3.290 1.00 0.62 C ATOM 0 H LEU A 28 -1.391 6.714 7.556 1.00 0.31 H new ATOM 0 HA LEU A 28 0.339 5.952 5.501 1.00 0.29 H new ATOM 0 HB2 LEU A 28 -2.311 7.365 5.693 1.00 0.28 H new ATOM 0 HB3 LEU A 28 -1.473 7.405 4.155 1.00 0.28 H new ATOM 0 HG LEU A 28 -1.531 4.745 5.408 1.00 0.39 H new ATOM 0 HD11 LEU A 28 -3.890 4.250 4.840 1.00 0.48 H new ATOM 0 HD12 LEU A 28 -3.749 5.457 6.140 1.00 0.48 H new ATOM 0 HD13 LEU A 28 -4.154 5.974 4.486 1.00 0.48 H new ATOM 0 HD21 LEU A 28 -2.205 4.080 3.084 1.00 0.62 H new ATOM 0 HD22 LEU A 28 -2.359 5.801 2.656 1.00 0.62 H new ATOM 0 HD23 LEU A 28 -0.767 5.129 3.082 1.00 0.62 H new ATOM 466 N ARG A 29 -0.055 9.229 5.927 1.00 0.32 N ATOM 467 CA ARG A 29 0.345 10.555 5.504 1.00 0.37 C ATOM 468 C ARG A 29 1.802 10.859 5.836 1.00 0.34 C ATOM 469 O ARG A 29 2.428 11.605 5.095 1.00 0.41 O ATOM 470 CB ARG A 29 -0.608 11.592 6.102 1.00 0.50 C ATOM 471 CG ARG A 29 -0.690 12.811 5.190 1.00 1.03 C ATOM 472 CD ARG A 29 -1.707 13.807 5.737 1.00 1.14 C ATOM 473 NE ARG A 29 -1.635 15.067 4.987 1.00 1.77 N ATOM 474 CZ ARG A 29 -1.932 16.270 5.489 1.00 2.22 C ATOM 475 NH1 ARG A 29 -2.534 16.366 6.674 1.00 2.91 N ATOM 476 NH2 ARG A 29 -1.614 17.370 4.806 1.00 2.92 N ATOM 0 H ARG A 29 -0.822 9.232 6.600 1.00 0.32 H new ATOM 0 HA ARG A 29 0.277 10.602 4.417 1.00 0.37 H new ATOM 0 HB2 ARG A 29 -1.599 11.156 6.230 1.00 0.50 H new ATOM 0 HB3 ARG A 29 -0.260 11.890 7.091 1.00 0.50 H new ATOM 0 HG2 ARG A 29 0.289 13.284 5.113 1.00 1.03 H new ATOM 0 HG3 ARG A 29 -0.975 12.504 4.184 1.00 1.03 H new ATOM 0 HD2 ARG A 29 -2.711 13.389 5.665 1.00 1.14 H new ATOM 0 HD3 ARG A 29 -1.514 13.992 6.794 1.00 1.14 H new ATOM 0 HE ARG A 29 -1.337 15.021 4.013 1.00 1.77 H new ATOM 0 HH11 ARG A 29 -2.768 15.522 7.197 1.00 2.91 H new ATOM 0 HH12 ARG A 29 -2.761 17.283 7.058 1.00 2.91 H new ATOM 0 HH21 ARG A 29 -1.146 17.292 3.903 1.00 2.92 H new ATOM 0 HH22 ARG A 29 -1.839 18.289 5.186 1.00 2.92 H new ATOM 490 N SER A 30 2.348 10.308 6.922 1.00 0.32 N ATOM 491 CA SER A 30 3.752 10.496 7.270 1.00 0.38 C ATOM 492 C SER A 30 4.626 9.947 6.154 1.00 0.36 C ATOM 493 O SER A 30 5.644 10.537 5.793 1.00 0.42 O ATOM 494 CB SER A 30 4.094 9.767 8.580 1.00 0.44 C ATOM 495 OG SER A 30 4.866 10.601 9.418 1.00 1.29 O ATOM 0 H SER A 30 1.831 9.723 7.579 1.00 0.32 H new ATOM 0 HA SER A 30 3.935 11.562 7.404 1.00 0.38 H new ATOM 0 HB2 SER A 30 3.177 9.475 9.092 1.00 0.44 H new ATOM 0 HB3 SER A 30 4.643 8.851 8.362 1.00 0.44 H new ATOM 0 HG SER A 30 5.075 10.126 10.249 1.00 1.29 H new ATOM 501 N GLU A 31 4.231 8.792 5.625 1.00 0.32 N ATOM 502 CA GLU A 31 5.004 8.146 4.590 1.00 0.32 C ATOM 503 C GLU A 31 4.800 8.895 3.277 1.00 0.30 C ATOM 504 O GLU A 31 5.764 9.273 2.615 1.00 0.33 O ATOM 505 CB GLU A 31 4.577 6.680 4.515 1.00 0.43 C ATOM 506 CG GLU A 31 5.685 5.820 3.917 1.00 1.07 C ATOM 507 CD GLU A 31 6.939 5.689 4.778 1.00 1.47 C ATOM 508 OE1 GLU A 31 7.023 6.340 5.842 1.00 2.10 O ATOM 509 OE2 GLU A 31 7.825 4.945 4.305 1.00 2.33 O ATOM 0 H GLU A 31 3.384 8.294 5.900 1.00 0.32 H new ATOM 0 HA GLU A 31 6.072 8.169 4.808 1.00 0.32 H new ATOM 0 HB2 GLU A 31 4.329 6.318 5.513 1.00 0.43 H new ATOM 0 HB3 GLU A 31 3.675 6.590 3.910 1.00 0.43 H new ATOM 0 HG2 GLU A 31 5.287 4.823 3.727 1.00 1.07 H new ATOM 0 HG3 GLU A 31 5.968 6.239 2.952 1.00 1.07 H new ATOM 516 N ALA A 32 3.540 9.185 2.942 1.00 0.28 N ATOM 517 CA ALA A 32 3.173 9.911 1.736 1.00 0.31 C ATOM 518 C ALA A 32 3.932 11.239 1.647 1.00 0.33 C ATOM 519 O ALA A 32 4.372 11.642 0.571 1.00 0.37 O ATOM 520 CB ALA A 32 1.657 10.125 1.739 1.00 0.34 C ATOM 0 H ALA A 32 2.739 8.916 3.513 1.00 0.28 H new ATOM 0 HA ALA A 32 3.450 9.332 0.855 1.00 0.31 H new ATOM 0 HB1 ALA A 32 1.365 10.669 0.841 1.00 0.34 H new ATOM 0 HB2 ALA A 32 1.153 9.159 1.759 1.00 0.34 H new ATOM 0 HB3 ALA A 32 1.373 10.700 2.620 1.00 0.34 H new ATOM 526 N ALA A 33 4.142 11.896 2.794 1.00 0.36 N ATOM 527 CA ALA A 33 4.806 13.186 2.924 1.00 0.42 C ATOM 528 C ALA A 33 6.256 13.191 2.430 1.00 0.46 C ATOM 529 O ALA A 33 6.874 14.253 2.397 1.00 0.58 O ATOM 530 CB ALA A 33 4.740 13.647 4.386 1.00 0.46 C ATOM 0 H ALA A 33 3.838 11.521 3.693 1.00 0.36 H new ATOM 0 HA ALA A 33 4.271 13.881 2.277 1.00 0.42 H new ATOM 0 HB1 ALA A 33 5.236 14.612 4.486 1.00 0.46 H new ATOM 0 HB2 ALA A 33 3.698 13.742 4.691 1.00 0.46 H new ATOM 0 HB3 ALA A 33 5.239 12.915 5.021 1.00 0.46 H new ATOM 536 N LYS A 34 6.820 12.058 2.006 1.00 0.43 N ATOM 537 CA LYS A 34 8.158 12.026 1.455 1.00 0.44 C ATOM 538 C LYS A 34 8.103 12.468 -0.005 1.00 0.45 C ATOM 539 O LYS A 34 9.083 13.009 -0.507 1.00 0.53 O ATOM 540 CB LYS A 34 8.716 10.600 1.575 1.00 0.48 C ATOM 541 CG LYS A 34 9.415 10.334 2.918 1.00 0.75 C ATOM 542 CD LYS A 34 8.440 10.197 4.099 1.00 1.25 C ATOM 543 CE LYS A 34 8.859 11.049 5.296 1.00 1.55 C ATOM 544 NZ LYS A 34 9.980 10.439 6.039 1.00 2.19 N ATOM 0 H LYS A 34 6.359 11.149 2.038 1.00 0.43 H new ATOM 0 HA LYS A 34 8.814 12.703 2.002 1.00 0.44 H new ATOM 0 HB2 LYS A 34 7.902 9.886 1.449 1.00 0.48 H new ATOM 0 HB3 LYS A 34 9.423 10.424 0.764 1.00 0.48 H new ATOM 0 HG2 LYS A 34 10.006 9.422 2.837 1.00 0.75 H new ATOM 0 HG3 LYS A 34 10.111 11.147 3.124 1.00 0.75 H new ATOM 0 HD2 LYS A 34 7.440 10.491 3.778 1.00 1.25 H new ATOM 0 HD3 LYS A 34 8.383 9.151 4.402 1.00 1.25 H new ATOM 0 HE2 LYS A 34 9.149 12.042 4.952 1.00 1.55 H new ATOM 0 HE3 LYS A 34 8.008 11.179 5.965 1.00 1.55 H new ATOM 0 HZ1 LYS A 34 10.235 11.047 6.843 1.00 2.19 H new ATOM 0 HZ2 LYS A 34 9.695 9.502 6.390 1.00 2.19 H new ATOM 0 HZ3 LYS A 34 10.800 10.338 5.408 1.00 2.19 H new ATOM 558 N ASN A 35 6.981 12.256 -0.701 1.00 0.44 N ATOM 559 CA ASN A 35 6.813 12.750 -2.061 1.00 0.48 C ATOM 560 C ASN A 35 5.340 12.866 -2.417 1.00 0.48 C ATOM 561 O ASN A 35 4.883 12.212 -3.356 1.00 0.59 O ATOM 562 CB ASN A 35 7.523 11.814 -3.040 1.00 0.55 C ATOM 563 CG ASN A 35 7.797 12.502 -4.370 1.00 1.12 C ATOM 564 OD1 ASN A 35 7.099 13.425 -4.770 1.00 2.31 O ATOM 565 ND2 ASN A 35 8.838 12.075 -5.072 1.00 1.68 N ATOM 0 H ASN A 35 6.177 11.744 -0.339 1.00 0.44 H new ATOM 0 HA ASN A 35 7.256 13.744 -2.128 1.00 0.48 H new ATOM 0 HB2 ASN A 35 8.463 11.475 -2.604 1.00 0.55 H new ATOM 0 HB3 ASN A 35 6.911 10.928 -3.207 1.00 0.55 H new ATOM 0 HD21 ASN A 35 9.069 12.517 -5.962 1.00 1.68 H new ATOM 0 HD22 ASN A 35 9.408 11.305 -4.722 1.00 1.68 H new ATOM 572 N VAL A 36 4.605 13.703 -1.681 1.00 0.47 N ATOM 573 CA VAL A 36 3.177 13.933 -1.870 1.00 0.50 C ATOM 574 C VAL A 36 2.368 12.672 -1.538 1.00 0.46 C ATOM 575 O VAL A 36 1.716 12.635 -0.497 1.00 0.46 O ATOM 576 CB VAL A 36 2.935 14.561 -3.260 1.00 0.59 C ATOM 577 CG1 VAL A 36 1.520 14.345 -3.785 1.00 0.68 C ATOM 578 CG2 VAL A 36 3.241 16.061 -3.192 1.00 0.66 C ATOM 0 H VAL A 36 5.000 14.252 -0.918 1.00 0.47 H new ATOM 0 HA VAL A 36 2.799 14.668 -1.159 1.00 0.50 H new ATOM 0 HB VAL A 36 3.602 14.059 -3.960 1.00 0.59 H new ATOM 0 HG11 VAL A 36 1.420 14.812 -4.765 1.00 0.68 H new ATOM 0 HG12 VAL A 36 1.323 13.276 -3.871 1.00 0.68 H new ATOM 0 HG13 VAL A 36 0.804 14.792 -3.095 1.00 0.68 H new ATOM 0 HG21 VAL A 36 3.072 16.511 -4.170 1.00 0.66 H new ATOM 0 HG22 VAL A 36 2.588 16.533 -2.458 1.00 0.66 H new ATOM 0 HG23 VAL A 36 4.281 16.207 -2.900 1.00 0.66 H new ATOM 588 N ASP A 37 2.396 11.663 -2.410 1.00 0.45 N ATOM 589 CA ASP A 37 1.827 10.329 -2.200 1.00 0.43 C ATOM 590 C ASP A 37 2.466 9.344 -3.191 1.00 0.44 C ATOM 591 O ASP A 37 1.818 8.442 -3.721 1.00 0.53 O ATOM 592 CB ASP A 37 0.296 10.378 -2.352 1.00 0.57 C ATOM 593 CG ASP A 37 -0.403 9.123 -1.819 1.00 1.12 C ATOM 594 OD1 ASP A 37 0.187 8.448 -0.947 1.00 2.17 O ATOM 595 OD2 ASP A 37 -1.562 8.894 -2.247 1.00 1.85 O ATOM 0 H ASP A 37 2.837 11.757 -3.325 1.00 0.45 H new ATOM 0 HA ASP A 37 2.044 9.986 -1.189 1.00 0.43 H new ATOM 0 HB2 ASP A 37 -0.087 11.251 -1.825 1.00 0.57 H new ATOM 0 HB3 ASP A 37 0.046 10.506 -3.405 1.00 0.57 H new ATOM 600 N ASN A 38 3.753 9.559 -3.498 1.00 0.41 N ATOM 601 CA ASN A 38 4.519 8.730 -4.423 1.00 0.46 C ATOM 602 C ASN A 38 5.533 7.846 -3.701 1.00 0.45 C ATOM 603 O ASN A 38 6.230 7.065 -4.344 1.00 0.64 O ATOM 604 CB ASN A 38 5.234 9.580 -5.484 1.00 0.51 C ATOM 605 CG ASN A 38 4.269 10.273 -6.428 1.00 1.05 C ATOM 606 OD1 ASN A 38 3.790 9.668 -7.378 1.00 1.99 O ATOM 607 ND2 ASN A 38 3.991 11.548 -6.196 1.00 1.80 N ATOM 0 H ASN A 38 4.294 10.327 -3.101 1.00 0.41 H new ATOM 0 HA ASN A 38 3.797 8.082 -4.920 1.00 0.46 H new ATOM 0 HB2 ASN A 38 5.851 10.329 -4.988 1.00 0.51 H new ATOM 0 HB3 ASN A 38 5.906 8.944 -6.060 1.00 0.51 H new ATOM 0 HD21 ASN A 38 3.361 12.054 -6.818 1.00 1.80 H new ATOM 0 HD22 ASN A 38 4.407 12.023 -5.395 1.00 1.80 H new ATOM 614 N TYR A 39 5.677 8.009 -2.386 1.00 0.38 N ATOM 615 CA TYR A 39 6.662 7.305 -1.585 1.00 0.44 C ATOM 616 C TYR A 39 5.900 6.700 -0.424 1.00 0.37 C ATOM 617 O TYR A 39 5.333 7.429 0.381 1.00 0.41 O ATOM 618 CB TYR A 39 7.761 8.261 -1.107 1.00 0.58 C ATOM 619 CG TYR A 39 9.011 8.234 -1.964 1.00 0.99 C ATOM 620 CD1 TYR A 39 8.961 8.635 -3.313 1.00 1.97 C ATOM 621 CD2 TYR A 39 10.223 7.771 -1.418 1.00 2.24 C ATOM 622 CE1 TYR A 39 10.116 8.581 -4.111 1.00 2.42 C ATOM 623 CE2 TYR A 39 11.384 7.715 -2.209 1.00 2.71 C ATOM 624 CZ TYR A 39 11.332 8.119 -3.563 1.00 2.28 C ATOM 625 OH TYR A 39 12.441 8.059 -4.352 1.00 2.96 O ATOM 0 H TYR A 39 5.097 8.649 -1.842 1.00 0.38 H new ATOM 0 HA TYR A 39 7.170 6.530 -2.160 1.00 0.44 H new ATOM 0 HB2 TYR A 39 7.365 9.276 -1.091 1.00 0.58 H new ATOM 0 HB3 TYR A 39 8.029 8.007 -0.081 1.00 0.58 H new ATOM 0 HD1 TYR A 39 8.031 8.985 -3.736 1.00 1.97 H new ATOM 0 HD2 TYR A 39 10.261 7.457 -0.385 1.00 2.24 H new ATOM 0 HE1 TYR A 39 10.073 8.893 -5.144 1.00 2.42 H new ATOM 0 HE2 TYR A 39 12.313 7.364 -1.784 1.00 2.71 H new ATOM 0 HH TYR A 39 13.197 7.721 -3.828 1.00 2.96 H new ATOM 635 N ILE A 40 5.812 5.372 -0.399 1.00 0.32 N ATOM 636 CA ILE A 40 5.082 4.638 0.614 1.00 0.29 C ATOM 637 C ILE A 40 5.913 3.385 0.896 1.00 0.25 C ATOM 638 O ILE A 40 5.875 2.460 0.083 1.00 0.24 O ATOM 639 CB ILE A 40 3.649 4.330 0.126 1.00 0.34 C ATOM 640 CG1 ILE A 40 2.996 5.548 -0.566 1.00 0.44 C ATOM 641 CG2 ILE A 40 2.802 3.873 1.323 1.00 0.46 C ATOM 642 CD1 ILE A 40 1.575 5.291 -1.065 1.00 0.44 C ATOM 0 H ILE A 40 6.255 4.773 -1.096 1.00 0.32 H new ATOM 0 HA ILE A 40 4.949 5.205 1.535 1.00 0.29 H new ATOM 0 HB ILE A 40 3.702 3.536 -0.619 1.00 0.34 H new ATOM 0 HG12 ILE A 40 2.979 6.384 0.133 1.00 0.44 H new ATOM 0 HG13 ILE A 40 3.617 5.850 -1.409 1.00 0.44 H new ATOM 0 HG21 ILE A 40 1.788 3.653 0.989 1.00 0.46 H new ATOM 0 HG22 ILE A 40 3.243 2.977 1.759 1.00 0.46 H new ATOM 0 HG23 ILE A 40 2.773 4.665 2.072 1.00 0.46 H new ATOM 0 HD11 ILE A 40 1.187 6.193 -1.538 1.00 0.44 H new ATOM 0 HD12 ILE A 40 1.586 4.477 -1.790 1.00 0.44 H new ATOM 0 HD13 ILE A 40 0.937 5.019 -0.224 1.00 0.44 H new ATOM 654 N SER A 41 6.720 3.349 1.964 1.00 0.30 N ATOM 655 CA SER A 41 7.538 2.173 2.206 1.00 0.30 C ATOM 656 C SER A 41 6.658 0.976 2.522 1.00 0.25 C ATOM 657 O SER A 41 5.666 1.079 3.248 1.00 0.28 O ATOM 658 CB SER A 41 8.541 2.375 3.344 1.00 0.45 C ATOM 659 OG SER A 41 9.339 1.207 3.410 1.00 1.37 O ATOM 0 H SER A 41 6.818 4.098 2.649 1.00 0.30 H new ATOM 0 HA SER A 41 8.105 1.994 1.292 1.00 0.30 H new ATOM 0 HB2 SER A 41 9.159 3.254 3.161 1.00 0.45 H new ATOM 0 HB3 SER A 41 8.023 2.541 4.289 1.00 0.45 H new ATOM 0 HG SER A 41 9.647 1.073 4.331 1.00 1.37 H new ATOM 665 N ILE A 42 7.086 -0.198 2.058 1.00 0.23 N ATOM 666 CA ILE A 42 6.444 -1.439 2.447 1.00 0.26 C ATOM 667 C ILE A 42 6.590 -1.717 3.937 1.00 0.27 C ATOM 668 O ILE A 42 5.938 -2.625 4.428 1.00 0.34 O ATOM 669 CB ILE A 42 6.928 -2.626 1.606 1.00 0.33 C ATOM 670 CG1 ILE A 42 8.378 -3.055 1.895 1.00 1.35 C ATOM 671 CG2 ILE A 42 6.747 -2.281 0.127 1.00 1.60 C ATOM 672 CD1 ILE A 42 8.466 -4.583 1.962 1.00 1.82 C ATOM 0 H ILE A 42 7.871 -0.309 1.416 1.00 0.23 H new ATOM 0 HA ILE A 42 5.380 -1.313 2.246 1.00 0.26 H new ATOM 0 HB ILE A 42 6.321 -3.488 1.882 1.00 0.33 H new ATOM 0 HG12 ILE A 42 9.040 -2.678 1.116 1.00 1.35 H new ATOM 0 HG13 ILE A 42 8.714 -2.621 2.837 1.00 1.35 H new ATOM 0 HG21 ILE A 42 7.087 -3.116 -0.486 1.00 1.60 H new ATOM 0 HG22 ILE A 42 5.693 -2.088 -0.075 1.00 1.60 H new ATOM 0 HG23 ILE A 42 7.331 -1.393 -0.114 1.00 1.60 H new ATOM 0 HD11 ILE A 42 9.495 -4.880 2.167 1.00 1.82 H new ATOM 0 HD12 ILE A 42 7.817 -4.950 2.757 1.00 1.82 H new ATOM 0 HD13 ILE A 42 8.149 -5.008 1.010 1.00 1.82 H new ATOM 684 N ASP A 43 7.396 -0.954 4.677 1.00 0.28 N ATOM 685 CA ASP A 43 7.409 -1.058 6.130 1.00 0.32 C ATOM 686 C ASP A 43 6.046 -0.645 6.678 1.00 0.30 C ATOM 687 O ASP A 43 5.480 -1.329 7.523 1.00 0.32 O ATOM 688 CB ASP A 43 8.500 -0.165 6.732 1.00 0.40 C ATOM 689 CG ASP A 43 9.898 -0.604 6.310 1.00 0.97 C ATOM 690 OD1 ASP A 43 10.254 -1.761 6.619 1.00 1.91 O ATOM 691 OD2 ASP A 43 10.575 0.223 5.658 1.00 2.02 O ATOM 0 H ASP A 43 8.042 -0.264 4.294 1.00 0.28 H new ATOM 0 HA ASP A 43 7.622 -2.091 6.404 1.00 0.32 H new ATOM 0 HB2 ASP A 43 8.335 0.867 6.422 1.00 0.40 H new ATOM 0 HB3 ASP A 43 8.426 -0.187 7.819 1.00 0.40 H new ATOM 696 N VAL A 44 5.494 0.469 6.193 1.00 0.28 N ATOM 697 CA VAL A 44 4.208 0.986 6.622 1.00 0.30 C ATOM 698 C VAL A 44 3.118 0.006 6.199 1.00 0.29 C ATOM 699 O VAL A 44 2.243 -0.341 6.988 1.00 0.31 O ATOM 700 CB VAL A 44 4.049 2.409 6.044 1.00 0.33 C ATOM 701 CG1 VAL A 44 2.644 2.743 5.547 1.00 0.41 C ATOM 702 CG2 VAL A 44 4.481 3.418 7.108 1.00 0.38 C ATOM 0 H VAL A 44 5.942 1.042 5.478 1.00 0.28 H new ATOM 0 HA VAL A 44 4.129 1.074 7.706 1.00 0.30 H new ATOM 0 HB VAL A 44 4.684 2.460 5.159 1.00 0.33 H new ATOM 0 HG11 VAL A 44 2.628 3.762 5.159 1.00 0.41 H new ATOM 0 HG12 VAL A 44 2.364 2.049 4.755 1.00 0.41 H new ATOM 0 HG13 VAL A 44 1.936 2.658 6.372 1.00 0.41 H new ATOM 0 HG21 VAL A 44 4.375 4.429 6.715 1.00 0.38 H new ATOM 0 HG22 VAL A 44 3.854 3.305 7.993 1.00 0.38 H new ATOM 0 HG23 VAL A 44 5.523 3.241 7.376 1.00 0.38 H new ATOM 712 N ILE A 45 3.174 -0.458 4.952 1.00 0.29 N ATOM 713 CA ILE A 45 2.119 -1.281 4.373 1.00 0.31 C ATOM 714 C ILE A 45 2.141 -2.676 4.992 1.00 0.33 C ATOM 715 O ILE A 45 1.099 -3.286 5.202 1.00 0.41 O ATOM 716 CB ILE A 45 2.278 -1.349 2.844 1.00 0.36 C ATOM 717 CG1 ILE A 45 2.572 0.020 2.184 1.00 0.44 C ATOM 718 CG2 ILE A 45 1.001 -1.913 2.198 1.00 0.45 C ATOM 719 CD1 ILE A 45 3.085 -0.110 0.746 1.00 0.42 C ATOM 0 H ILE A 45 3.951 -0.273 4.317 1.00 0.29 H new ATOM 0 HA ILE A 45 1.152 -0.829 4.593 1.00 0.31 H new ATOM 0 HB ILE A 45 3.137 -1.998 2.674 1.00 0.36 H new ATOM 0 HG12 ILE A 45 1.663 0.622 2.187 1.00 0.44 H new ATOM 0 HG13 ILE A 45 3.311 0.555 2.781 1.00 0.44 H new ATOM 0 HG21 ILE A 45 1.129 -1.955 1.116 1.00 0.45 H new ATOM 0 HG22 ILE A 45 0.812 -2.916 2.580 1.00 0.45 H new ATOM 0 HG23 ILE A 45 0.156 -1.268 2.439 1.00 0.45 H new ATOM 0 HD11 ILE A 45 3.273 0.882 0.336 1.00 0.42 H new ATOM 0 HD12 ILE A 45 4.010 -0.687 0.740 1.00 0.42 H new ATOM 0 HD13 ILE A 45 2.337 -0.618 0.137 1.00 0.42 H new ATOM 731 N ALA A 46 3.321 -3.192 5.313 1.00 0.30 N ATOM 732 CA ALA A 46 3.439 -4.412 6.085 1.00 0.34 C ATOM 733 C ALA A 46 2.915 -4.161 7.495 1.00 0.40 C ATOM 734 O ALA A 46 2.246 -5.008 8.081 1.00 0.61 O ATOM 735 CB ALA A 46 4.901 -4.870 6.124 1.00 0.32 C ATOM 0 H ALA A 46 4.214 -2.777 5.046 1.00 0.30 H new ATOM 0 HA ALA A 46 2.849 -5.202 5.620 1.00 0.34 H new ATOM 0 HB1 ALA A 46 4.979 -5.788 6.707 1.00 0.32 H new ATOM 0 HB2 ALA A 46 5.252 -5.054 5.109 1.00 0.32 H new ATOM 0 HB3 ALA A 46 5.513 -4.095 6.585 1.00 0.32 H new ATOM 741 N SER A 47 3.212 -2.984 8.044 1.00 0.34 N ATOM 742 CA SER A 47 2.848 -2.633 9.408 1.00 0.37 C ATOM 743 C SER A 47 1.412 -2.104 9.498 1.00 0.38 C ATOM 744 O SER A 47 0.996 -1.675 10.573 1.00 0.50 O ATOM 745 CB SER A 47 3.861 -1.624 9.960 1.00 0.38 C ATOM 746 OG SER A 47 3.669 -1.412 11.345 1.00 0.54 O ATOM 0 H SER A 47 3.714 -2.247 7.550 1.00 0.34 H new ATOM 0 HA SER A 47 2.878 -3.534 10.021 1.00 0.37 H new ATOM 0 HB2 SER A 47 4.873 -1.987 9.782 1.00 0.38 H new ATOM 0 HB3 SER A 47 3.763 -0.678 9.428 1.00 0.38 H new ATOM 0 HG SER A 47 2.711 -1.444 11.551 1.00 0.54 H new ATOM 752 N PHE A 48 0.608 -2.190 8.434 1.00 0.33 N ATOM 753 CA PHE A 48 -0.780 -1.727 8.433 1.00 0.35 C ATOM 754 C PHE A 48 -1.720 -2.570 9.311 1.00 0.44 C ATOM 755 O PHE A 48 -2.936 -2.371 9.251 1.00 0.80 O ATOM 756 CB PHE A 48 -1.309 -1.736 6.987 1.00 0.34 C ATOM 757 CG PHE A 48 -1.488 -0.412 6.298 1.00 0.44 C ATOM 758 CD1 PHE A 48 -1.980 0.716 6.981 1.00 1.52 C ATOM 759 CD2 PHE A 48 -1.257 -0.358 4.913 1.00 1.87 C ATOM 760 CE1 PHE A 48 -2.201 1.906 6.274 1.00 1.53 C ATOM 761 CE2 PHE A 48 -1.446 0.837 4.212 1.00 2.04 C ATOM 762 CZ PHE A 48 -1.927 1.958 4.898 1.00 0.93 C ATOM 0 H PHE A 48 0.906 -2.586 7.543 1.00 0.33 H new ATOM 0 HA PHE A 48 -0.773 -0.723 8.857 1.00 0.35 H new ATOM 0 HB2 PHE A 48 -0.628 -2.338 6.385 1.00 0.34 H new ATOM 0 HB3 PHE A 48 -2.272 -2.247 6.986 1.00 0.34 H new ATOM 0 HD1 PHE A 48 -2.185 0.665 8.040 1.00 1.52 H new ATOM 0 HD2 PHE A 48 -0.932 -1.244 4.387 1.00 1.87 H new ATOM 0 HE1 PHE A 48 -2.580 2.779 6.785 1.00 1.53 H new ATOM 0 HE2 PHE A 48 -1.224 0.894 3.157 1.00 2.04 H new ATOM 0 HZ PHE A 48 -2.090 2.880 4.359 1.00 0.93 H new ATOM 772 N ASN A 49 -1.193 -3.520 10.094 1.00 0.43 N ATOM 773 CA ASN A 49 -1.919 -4.473 10.923 1.00 0.48 C ATOM 774 C ASN A 49 -2.818 -5.373 10.077 1.00 0.46 C ATOM 775 O ASN A 49 -2.420 -6.486 9.756 1.00 0.44 O ATOM 776 CB ASN A 49 -2.637 -3.763 12.081 1.00 0.63 C ATOM 777 CG ASN A 49 -3.150 -4.766 13.105 1.00 0.96 C ATOM 778 OD1 ASN A 49 -2.823 -5.944 13.051 1.00 1.60 O ATOM 779 ND2 ASN A 49 -3.947 -4.316 14.063 1.00 1.59 N ATOM 0 H ASN A 49 -0.183 -3.646 10.165 1.00 0.43 H new ATOM 0 HA ASN A 49 -1.205 -5.148 11.396 1.00 0.48 H new ATOM 0 HB2 ASN A 49 -1.953 -3.064 12.563 1.00 0.63 H new ATOM 0 HB3 ASN A 49 -3.470 -3.177 11.692 1.00 0.63 H new ATOM 0 HD21 ASN A 49 -4.301 -4.956 14.775 1.00 1.59 H new ATOM 0 HD22 ASN A 49 -4.207 -3.330 14.089 1.00 1.59 H new ATOM 786 N ARG A 50 -3.968 -4.869 9.623 1.00 0.53 N ATOM 787 CA ARG A 50 -4.932 -5.572 8.778 1.00 0.54 C ATOM 788 C ARG A 50 -4.246 -6.235 7.588 1.00 0.48 C ATOM 789 O ARG A 50 -4.566 -7.360 7.216 1.00 0.50 O ATOM 790 CB ARG A 50 -5.950 -4.537 8.281 1.00 0.63 C ATOM 791 CG ARG A 50 -7.202 -5.138 7.639 1.00 0.68 C ATOM 792 CD ARG A 50 -8.039 -3.988 7.064 1.00 0.63 C ATOM 793 NE ARG A 50 -9.420 -4.416 6.808 1.00 1.26 N ATOM 794 CZ ARG A 50 -10.546 -3.842 7.250 1.00 1.64 C ATOM 795 NH1 ARG A 50 -10.509 -2.706 7.949 1.00 2.54 N ATOM 796 NH2 ARG A 50 -11.719 -4.418 6.989 1.00 2.29 N ATOM 0 H ARG A 50 -4.264 -3.918 9.845 1.00 0.53 H new ATOM 0 HA ARG A 50 -5.419 -6.360 9.353 1.00 0.54 H new ATOM 0 HB2 ARG A 50 -6.252 -3.911 9.120 1.00 0.63 H new ATOM 0 HB3 ARG A 50 -5.462 -3.885 7.556 1.00 0.63 H new ATOM 0 HG2 ARG A 50 -6.927 -5.840 6.852 1.00 0.68 H new ATOM 0 HG3 ARG A 50 -7.778 -5.697 8.377 1.00 0.68 H new ATOM 0 HD2 ARG A 50 -8.038 -3.150 7.761 1.00 0.63 H new ATOM 0 HD3 ARG A 50 -7.587 -3.633 6.138 1.00 0.63 H new ATOM 0 HE ARG A 50 -9.535 -5.246 6.227 1.00 1.26 H new ATOM 0 HH11 ARG A 50 -9.614 -2.262 8.154 1.00 2.54 H new ATOM 0 HH12 ARG A 50 -11.376 -2.281 8.279 1.00 2.54 H new ATOM 0 HH21 ARG A 50 -11.753 -5.288 6.457 1.00 2.29 H new ATOM 0 HH22 ARG A 50 -12.583 -3.989 7.321 1.00 2.29 H new ATOM 810 N MET A 51 -3.311 -5.525 6.965 1.00 0.43 N ATOM 811 CA MET A 51 -2.577 -6.038 5.826 1.00 0.39 C ATOM 812 C MET A 51 -1.688 -7.185 6.273 1.00 0.32 C ATOM 813 O MET A 51 -1.661 -8.225 5.621 1.00 0.37 O ATOM 814 CB MET A 51 -1.761 -4.921 5.160 1.00 0.48 C ATOM 815 CG MET A 51 -1.830 -5.014 3.636 1.00 0.93 C ATOM 816 SD MET A 51 -3.511 -5.058 2.956 1.00 1.57 S ATOM 817 CE MET A 51 -4.151 -3.445 3.468 1.00 1.47 C ATOM 0 H MET A 51 -3.045 -4.579 7.239 1.00 0.43 H new ATOM 0 HA MET A 51 -3.279 -6.413 5.082 1.00 0.39 H new ATOM 0 HB2 MET A 51 -2.137 -3.951 5.484 1.00 0.48 H new ATOM 0 HB3 MET A 51 -0.722 -4.985 5.483 1.00 0.48 H new ATOM 0 HG2 MET A 51 -1.302 -4.161 3.209 1.00 0.93 H new ATOM 0 HG3 MET A 51 -1.299 -5.911 3.316 1.00 0.93 H new ATOM 0 HE1 MET A 51 -5.216 -3.389 3.245 1.00 1.47 H new ATOM 0 HE2 MET A 51 -3.997 -3.316 4.539 1.00 1.47 H new ATOM 0 HE3 MET A 51 -3.625 -2.657 2.929 1.00 1.47 H new ATOM 827 N LYS A 52 -0.977 -7.027 7.394 1.00 0.30 N ATOM 828 CA LYS A 52 -0.130 -8.078 7.914 1.00 0.33 C ATOM 829 C LYS A 52 -0.931 -9.339 8.173 1.00 0.33 C ATOM 830 O LYS A 52 -0.438 -10.432 7.929 1.00 0.40 O ATOM 831 CB LYS A 52 0.563 -7.626 9.200 1.00 0.40 C ATOM 832 CG LYS A 52 1.916 -8.335 9.264 1.00 0.69 C ATOM 833 CD LYS A 52 2.396 -8.419 10.704 1.00 1.40 C ATOM 834 CE LYS A 52 3.770 -9.101 10.701 1.00 1.53 C ATOM 835 NZ LYS A 52 3.987 -9.936 11.901 1.00 2.23 N ATOM 0 H LYS A 52 -0.979 -6.174 7.953 1.00 0.30 H new ATOM 0 HA LYS A 52 0.630 -8.297 7.164 1.00 0.33 H new ATOM 0 HB2 LYS A 52 0.696 -6.544 9.204 1.00 0.40 H new ATOM 0 HB3 LYS A 52 -0.043 -7.876 10.071 1.00 0.40 H new ATOM 0 HG2 LYS A 52 1.830 -9.336 8.842 1.00 0.69 H new ATOM 0 HG3 LYS A 52 2.646 -7.796 8.660 1.00 0.69 H new ATOM 0 HD2 LYS A 52 2.465 -7.423 11.143 1.00 1.40 H new ATOM 0 HD3 LYS A 52 1.689 -8.986 11.310 1.00 1.40 H new ATOM 0 HE2 LYS A 52 3.863 -9.720 9.809 1.00 1.53 H new ATOM 0 HE3 LYS A 52 4.550 -8.341 10.644 1.00 1.53 H new ATOM 0 HZ1 LYS A 52 4.928 -10.375 11.853 1.00 2.23 H new ATOM 0 HZ2 LYS A 52 3.925 -9.342 12.753 1.00 2.23 H new ATOM 0 HZ3 LYS A 52 3.260 -10.679 11.943 1.00 2.23 H new ATOM 849 N THR A 53 -2.149 -9.208 8.688 1.00 0.32 N ATOM 850 CA THR A 53 -2.972 -10.352 9.009 1.00 0.37 C ATOM 851 C THR A 53 -3.459 -11.021 7.730 1.00 0.39 C ATOM 852 O THR A 53 -3.313 -12.233 7.585 1.00 0.45 O ATOM 853 CB THR A 53 -4.095 -9.905 9.950 1.00 0.44 C ATOM 854 OG1 THR A 53 -4.701 -8.700 9.541 1.00 0.46 O ATOM 855 CG2 THR A 53 -3.456 -9.619 11.307 1.00 0.48 C ATOM 0 H THR A 53 -2.585 -8.308 8.891 1.00 0.32 H new ATOM 0 HA THR A 53 -2.400 -11.114 9.538 1.00 0.37 H new ATOM 0 HB THR A 53 -4.850 -10.691 9.967 1.00 0.44 H new ATOM 0 HG1 THR A 53 -4.526 -8.553 8.588 1.00 0.46 H new ATOM 0 HG21 THR A 53 -4.224 -9.296 12.010 1.00 0.48 H new ATOM 0 HG22 THR A 53 -2.978 -10.524 11.682 1.00 0.48 H new ATOM 0 HG23 THR A 53 -2.709 -8.832 11.199 1.00 0.48 H new ATOM 863 N ILE A 54 -4.000 -10.250 6.779 1.00 0.39 N ATOM 864 CA ILE A 54 -4.568 -10.858 5.575 1.00 0.45 C ATOM 865 C ILE A 54 -3.444 -11.539 4.780 1.00 0.46 C ATOM 866 O ILE A 54 -3.659 -12.574 4.154 1.00 0.55 O ATOM 867 CB ILE A 54 -5.340 -9.817 4.731 1.00 0.52 C ATOM 868 CG1 ILE A 54 -6.418 -9.058 5.537 1.00 0.49 C ATOM 869 CG2 ILE A 54 -5.943 -10.473 3.477 1.00 0.75 C ATOM 870 CD1 ILE A 54 -7.847 -9.553 5.335 1.00 1.19 C ATOM 0 H ILE A 54 -4.055 -9.232 6.818 1.00 0.39 H new ATOM 0 HA ILE A 54 -5.298 -11.617 5.858 1.00 0.45 H new ATOM 0 HB ILE A 54 -4.612 -9.067 4.420 1.00 0.52 H new ATOM 0 HG12 ILE A 54 -6.173 -9.127 6.597 1.00 0.49 H new ATOM 0 HG13 ILE A 54 -6.374 -8.003 5.268 1.00 0.49 H new ATOM 0 HG21 ILE A 54 -6.482 -9.723 2.898 1.00 0.75 H new ATOM 0 HG22 ILE A 54 -5.144 -10.897 2.868 1.00 0.75 H new ATOM 0 HG23 ILE A 54 -6.631 -11.264 3.775 1.00 0.75 H new ATOM 0 HD11 ILE A 54 -8.528 -8.957 5.943 1.00 1.19 H new ATOM 0 HD12 ILE A 54 -8.120 -9.457 4.284 1.00 1.19 H new ATOM 0 HD13 ILE A 54 -7.915 -10.599 5.634 1.00 1.19 H new ATOM 882 N SER A 55 -2.239 -10.965 4.804 1.00 0.39 N ATOM 883 CA SER A 55 -1.092 -11.520 4.097 1.00 0.42 C ATOM 884 C SER A 55 -0.504 -12.701 4.830 1.00 0.44 C ATOM 885 O SER A 55 -0.064 -13.654 4.194 1.00 0.49 O ATOM 886 CB SER A 55 -0.009 -10.455 3.908 1.00 0.43 C ATOM 887 OG SER A 55 -0.533 -9.319 3.260 1.00 1.71 O ATOM 0 H SER A 55 -2.035 -10.105 5.314 1.00 0.39 H new ATOM 0 HA SER A 55 -1.448 -11.858 3.124 1.00 0.42 H new ATOM 0 HB2 SER A 55 0.400 -10.170 4.877 1.00 0.43 H new ATOM 0 HB3 SER A 55 0.814 -10.866 3.323 1.00 0.43 H new ATOM 0 HG SER A 55 -0.998 -8.756 3.913 1.00 1.71 H new ATOM 893 N THR A 56 -0.395 -12.591 6.150 1.00 0.45 N ATOM 894 CA THR A 56 0.358 -13.491 7.006 1.00 0.49 C ATOM 895 C THR A 56 1.876 -13.501 6.716 1.00 0.48 C ATOM 896 O THR A 56 2.648 -13.857 7.602 1.00 0.61 O ATOM 897 CB THR A 56 -0.343 -14.856 6.973 1.00 0.57 C ATOM 898 OG1 THR A 56 -1.620 -14.707 7.566 1.00 0.59 O ATOM 899 CG2 THR A 56 0.396 -15.943 7.755 1.00 0.75 C ATOM 0 H THR A 56 -0.849 -11.840 6.671 1.00 0.45 H new ATOM 0 HA THR A 56 0.349 -13.135 8.036 1.00 0.49 H new ATOM 0 HB THR A 56 -0.385 -15.167 5.929 1.00 0.57 H new ATOM 0 HG1 THR A 56 -1.957 -13.803 7.395 1.00 0.59 H new ATOM 0 HG21 THR A 56 -0.157 -16.880 7.687 1.00 0.75 H new ATOM 0 HG22 THR A 56 1.393 -16.079 7.335 1.00 0.75 H new ATOM 0 HG23 THR A 56 0.480 -15.646 8.800 1.00 0.75 H new ATOM 907 N ASP A 57 2.342 -13.063 5.540 1.00 0.48 N ATOM 908 CA ASP A 57 3.730 -13.095 5.127 1.00 0.45 C ATOM 909 C ASP A 57 3.977 -11.868 4.244 1.00 0.39 C ATOM 910 O ASP A 57 3.148 -11.513 3.403 1.00 0.42 O ATOM 911 CB ASP A 57 3.979 -14.399 4.357 1.00 0.58 C ATOM 912 CG ASP A 57 5.453 -14.615 4.023 1.00 0.65 C ATOM 913 OD1 ASP A 57 6.222 -13.632 4.127 1.00 1.56 O ATOM 914 OD2 ASP A 57 5.787 -15.751 3.635 1.00 1.66 O ATOM 0 H ASP A 57 1.729 -12.663 4.830 1.00 0.48 H new ATOM 0 HA ASP A 57 4.411 -13.067 5.978 1.00 0.45 H new ATOM 0 HB2 ASP A 57 3.618 -15.240 4.949 1.00 0.58 H new ATOM 0 HB3 ASP A 57 3.400 -14.387 3.434 1.00 0.58 H new ATOM 919 N LEU A 58 5.127 -11.223 4.426 1.00 0.38 N ATOM 920 CA LEU A 58 5.580 -10.092 3.624 1.00 0.38 C ATOM 921 C LEU A 58 5.739 -10.465 2.152 1.00 0.37 C ATOM 922 O LEU A 58 5.725 -9.592 1.295 1.00 0.39 O ATOM 923 CB LEU A 58 6.907 -9.531 4.159 1.00 0.48 C ATOM 924 CG LEU A 58 6.762 -8.861 5.536 1.00 0.56 C ATOM 925 CD1 LEU A 58 7.372 -9.730 6.640 1.00 0.96 C ATOM 926 CD2 LEU A 58 7.463 -7.500 5.537 1.00 0.94 C ATOM 0 H LEU A 58 5.788 -11.482 5.158 1.00 0.38 H new ATOM 0 HA LEU A 58 4.810 -9.325 3.702 1.00 0.38 H new ATOM 0 HB2 LEU A 58 7.635 -10.339 4.229 1.00 0.48 H new ATOM 0 HB3 LEU A 58 7.302 -8.806 3.448 1.00 0.48 H new ATOM 0 HG LEU A 58 5.697 -8.733 5.731 1.00 0.56 H new ATOM 0 HD11 LEU A 58 7.255 -9.231 7.602 1.00 0.96 H new ATOM 0 HD12 LEU A 58 6.864 -10.694 6.667 1.00 0.96 H new ATOM 0 HD13 LEU A 58 8.432 -9.884 6.438 1.00 0.96 H new ATOM 0 HD21 LEU A 58 7.354 -7.035 6.517 1.00 0.94 H new ATOM 0 HD22 LEU A 58 8.522 -7.636 5.316 1.00 0.94 H new ATOM 0 HD23 LEU A 58 7.013 -6.859 4.779 1.00 0.94 H new ATOM 938 N GLN A 59 5.876 -11.745 1.836 1.00 0.36 N ATOM 939 CA GLN A 59 5.942 -12.270 0.487 1.00 0.38 C ATOM 940 C GLN A 59 4.659 -11.889 -0.238 1.00 0.33 C ATOM 941 O GLN A 59 4.711 -11.291 -1.308 1.00 0.35 O ATOM 942 CB GLN A 59 6.128 -13.790 0.561 1.00 0.45 C ATOM 943 CG GLN A 59 6.164 -14.467 -0.822 1.00 0.59 C ATOM 944 CD GLN A 59 7.521 -15.093 -1.137 1.00 1.20 C ATOM 945 OE1 GLN A 59 7.874 -16.140 -0.611 1.00 1.97 O ATOM 946 NE2 GLN A 59 8.303 -14.485 -2.020 1.00 2.13 N ATOM 0 H GLN A 59 5.947 -12.474 2.546 1.00 0.36 H new ATOM 0 HA GLN A 59 6.785 -11.854 -0.065 1.00 0.38 H new ATOM 0 HB2 GLN A 59 7.055 -14.010 1.090 1.00 0.45 H new ATOM 0 HB3 GLN A 59 5.316 -14.220 1.148 1.00 0.45 H new ATOM 0 HG2 GLN A 59 5.394 -15.238 -0.865 1.00 0.59 H new ATOM 0 HG3 GLN A 59 5.921 -13.731 -1.589 1.00 0.59 H new ATOM 0 HE21 GLN A 59 8.001 -13.613 -2.453 1.00 2.13 H new ATOM 0 HE22 GLN A 59 9.206 -14.890 -2.265 1.00 2.13 H new ATOM 955 N LEU A 60 3.504 -12.209 0.349 1.00 0.32 N ATOM 956 CA LEU A 60 2.211 -11.886 -0.236 1.00 0.31 C ATOM 957 C LEU A 60 2.019 -10.380 -0.306 1.00 0.26 C ATOM 958 O LEU A 60 1.408 -9.892 -1.250 1.00 0.26 O ATOM 959 CB LEU A 60 1.082 -12.534 0.587 1.00 0.38 C ATOM 960 CG LEU A 60 0.376 -13.694 -0.128 1.00 0.59 C ATOM 961 CD1 LEU A 60 -0.344 -13.227 -1.398 1.00 1.93 C ATOM 962 CD2 LEU A 60 1.354 -14.825 -0.455 1.00 1.62 C ATOM 0 H LEU A 60 3.444 -12.699 1.242 1.00 0.32 H new ATOM 0 HA LEU A 60 2.178 -12.283 -1.251 1.00 0.31 H new ATOM 0 HB2 LEU A 60 1.495 -12.898 1.528 1.00 0.38 H new ATOM 0 HB3 LEU A 60 0.344 -11.771 0.836 1.00 0.38 H new ATOM 0 HG LEU A 60 -0.376 -14.078 0.561 1.00 0.59 H new ATOM 0 HD11 LEU A 60 -0.831 -14.078 -1.874 1.00 1.93 H new ATOM 0 HD12 LEU A 60 -1.093 -12.480 -1.137 1.00 1.93 H new ATOM 0 HD13 LEU A 60 0.379 -12.791 -2.087 1.00 1.93 H new ATOM 0 HD21 LEU A 60 0.822 -15.631 -0.961 1.00 1.62 H new ATOM 0 HD22 LEU A 60 2.143 -14.447 -1.105 1.00 1.62 H new ATOM 0 HD23 LEU A 60 1.794 -15.204 0.468 1.00 1.62 H new ATOM 974 N ILE A 61 2.537 -9.629 0.667 1.00 0.27 N ATOM 975 CA ILE A 61 2.390 -8.175 0.620 1.00 0.29 C ATOM 976 C ILE A 61 3.216 -7.626 -0.546 1.00 0.29 C ATOM 977 O ILE A 61 2.808 -6.698 -1.245 1.00 0.30 O ATOM 978 CB ILE A 61 2.719 -7.545 1.995 1.00 0.35 C ATOM 979 CG1 ILE A 61 1.556 -6.645 2.449 1.00 0.48 C ATOM 980 CG2 ILE A 61 4.039 -6.761 2.089 1.00 0.47 C ATOM 981 CD1 ILE A 61 1.376 -5.386 1.595 1.00 0.84 C ATOM 0 H ILE A 61 3.047 -9.989 1.474 1.00 0.27 H new ATOM 0 HA ILE A 61 1.354 -7.897 0.427 1.00 0.29 H new ATOM 0 HB ILE A 61 2.856 -8.400 2.657 1.00 0.35 H new ATOM 0 HG12 ILE A 61 0.632 -7.223 2.426 1.00 0.48 H new ATOM 0 HG13 ILE A 61 1.721 -6.349 3.485 1.00 0.48 H new ATOM 0 HG21 ILE A 61 4.158 -6.368 3.099 1.00 0.47 H new ATOM 0 HG22 ILE A 61 4.873 -7.423 1.857 1.00 0.47 H new ATOM 0 HG23 ILE A 61 4.023 -5.935 1.378 1.00 0.47 H new ATOM 0 HD11 ILE A 61 0.538 -4.804 1.977 1.00 0.84 H new ATOM 0 HD12 ILE A 61 2.284 -4.785 1.637 1.00 0.84 H new ATOM 0 HD13 ILE A 61 1.178 -5.672 0.562 1.00 0.84 H new ATOM 993 N THR A 62 4.384 -8.222 -0.777 1.00 0.34 N ATOM 994 CA THR A 62 5.287 -7.758 -1.817 1.00 0.41 C ATOM 995 C THR A 62 4.708 -8.106 -3.184 1.00 0.40 C ATOM 996 O THR A 62 4.748 -7.282 -4.096 1.00 0.42 O ATOM 997 CB THR A 62 6.693 -8.328 -1.590 1.00 0.51 C ATOM 998 OG1 THR A 62 7.195 -7.819 -0.375 1.00 1.15 O ATOM 999 CG2 THR A 62 7.678 -7.914 -2.684 1.00 0.98 C ATOM 0 H THR A 62 4.724 -9.029 -0.254 1.00 0.34 H new ATOM 0 HA THR A 62 5.387 -6.673 -1.778 1.00 0.41 H new ATOM 0 HB THR A 62 6.602 -9.414 -1.588 1.00 0.51 H new ATOM 0 HG1 THR A 62 6.787 -8.300 0.375 1.00 1.15 H new ATOM 0 HG21 THR A 62 8.657 -8.345 -2.474 1.00 0.98 H new ATOM 0 HG22 THR A 62 7.322 -8.275 -3.649 1.00 0.98 H new ATOM 0 HG23 THR A 62 7.758 -6.827 -2.710 1.00 0.98 H new ATOM 1007 N GLU A 63 4.138 -9.303 -3.345 1.00 0.40 N ATOM 1008 CA GLU A 63 3.528 -9.668 -4.616 1.00 0.42 C ATOM 1009 C GLU A 63 2.327 -8.777 -4.871 1.00 0.35 C ATOM 1010 O GLU A 63 2.148 -8.302 -5.989 1.00 0.35 O ATOM 1011 CB GLU A 63 3.115 -11.149 -4.662 1.00 0.54 C ATOM 1012 CG GLU A 63 2.779 -11.539 -6.123 1.00 0.58 C ATOM 1013 CD GLU A 63 1.629 -12.540 -6.311 1.00 1.29 C ATOM 1014 OE1 GLU A 63 0.887 -12.791 -5.336 1.00 2.19 O ATOM 1015 OE2 GLU A 63 1.426 -12.978 -7.470 1.00 2.22 O ATOM 0 H GLU A 63 4.088 -10.021 -2.622 1.00 0.40 H new ATOM 0 HA GLU A 63 4.272 -9.523 -5.399 1.00 0.42 H new ATOM 0 HB2 GLU A 63 3.922 -11.776 -4.282 1.00 0.54 H new ATOM 0 HB3 GLU A 63 2.251 -11.318 -4.020 1.00 0.54 H new ATOM 0 HG2 GLU A 63 2.535 -10.630 -6.673 1.00 0.58 H new ATOM 0 HG3 GLU A 63 3.675 -11.957 -6.581 1.00 0.58 H new ATOM 1022 N ALA A 64 1.522 -8.521 -3.841 1.00 0.34 N ATOM 1023 CA ALA A 64 0.330 -7.704 -4.013 1.00 0.34 C ATOM 1024 C ALA A 64 0.711 -6.352 -4.612 1.00 0.31 C ATOM 1025 O ALA A 64 0.096 -5.888 -5.570 1.00 0.34 O ATOM 1026 CB ALA A 64 -0.385 -7.526 -2.677 1.00 0.36 C ATOM 0 H ALA A 64 1.673 -8.864 -2.892 1.00 0.34 H new ATOM 0 HA ALA A 64 -0.353 -8.206 -4.698 1.00 0.34 H new ATOM 0 HB1 ALA A 64 -1.275 -6.913 -2.819 1.00 0.36 H new ATOM 0 HB2 ALA A 64 -0.675 -8.502 -2.287 1.00 0.36 H new ATOM 0 HB3 ALA A 64 0.283 -7.036 -1.969 1.00 0.36 H new ATOM 1032 N LEU A 65 1.763 -5.732 -4.072 1.00 0.29 N ATOM 1033 CA LEU A 65 2.256 -4.472 -4.594 1.00 0.29 C ATOM 1034 C LEU A 65 2.796 -4.649 -6.009 1.00 0.30 C ATOM 1035 O LEU A 65 2.583 -3.789 -6.863 1.00 0.33 O ATOM 1036 CB LEU A 65 3.338 -3.915 -3.668 1.00 0.30 C ATOM 1037 CG LEU A 65 2.759 -3.306 -2.386 1.00 0.31 C ATOM 1038 CD1 LEU A 65 3.909 -2.986 -1.437 1.00 0.41 C ATOM 1039 CD2 LEU A 65 2.026 -1.989 -2.662 1.00 0.33 C ATOM 0 H LEU A 65 2.285 -6.089 -3.272 1.00 0.29 H new ATOM 0 HA LEU A 65 1.430 -3.762 -4.637 1.00 0.29 H new ATOM 0 HB2 LEU A 65 4.033 -4.713 -3.405 1.00 0.30 H new ATOM 0 HB3 LEU A 65 3.911 -3.156 -4.200 1.00 0.30 H new ATOM 0 HG LEU A 65 2.059 -4.026 -1.963 1.00 0.31 H new ATOM 0 HD11 LEU A 65 3.513 -2.551 -0.519 1.00 0.41 H new ATOM 0 HD12 LEU A 65 4.451 -3.902 -1.201 1.00 0.41 H new ATOM 0 HD13 LEU A 65 4.586 -2.276 -1.912 1.00 0.41 H new ATOM 0 HD21 LEU A 65 1.631 -1.590 -1.728 1.00 0.33 H new ATOM 0 HD22 LEU A 65 2.720 -1.271 -3.098 1.00 0.33 H new ATOM 0 HD23 LEU A 65 1.205 -2.168 -3.356 1.00 0.33 H new ATOM 1051 N LYS A 66 3.487 -5.752 -6.289 1.00 0.34 N ATOM 1052 CA LYS A 66 4.001 -5.998 -7.632 1.00 0.38 C ATOM 1053 C LYS A 66 2.863 -6.109 -8.649 1.00 0.40 C ATOM 1054 O LYS A 66 3.049 -5.763 -9.811 1.00 0.46 O ATOM 1055 CB LYS A 66 4.930 -7.218 -7.636 1.00 0.46 C ATOM 1056 CG LYS A 66 5.828 -7.163 -8.877 1.00 0.78 C ATOM 1057 CD LYS A 66 6.810 -8.334 -8.928 1.00 1.14 C ATOM 1058 CE LYS A 66 7.603 -8.216 -10.233 1.00 1.73 C ATOM 1059 NZ LYS A 66 8.560 -9.328 -10.410 1.00 2.67 N ATOM 0 H LYS A 66 3.702 -6.483 -5.610 1.00 0.34 H new ATOM 0 HA LYS A 66 4.601 -5.142 -7.942 1.00 0.38 H new ATOM 0 HB2 LYS A 66 5.539 -7.230 -6.732 1.00 0.46 H new ATOM 0 HB3 LYS A 66 4.344 -8.137 -7.637 1.00 0.46 H new ATOM 0 HG2 LYS A 66 5.208 -7.171 -9.773 1.00 0.78 H new ATOM 0 HG3 LYS A 66 6.383 -6.225 -8.881 1.00 0.78 H new ATOM 0 HD2 LYS A 66 7.480 -8.309 -8.069 1.00 1.14 H new ATOM 0 HD3 LYS A 66 6.276 -9.284 -8.889 1.00 1.14 H new ATOM 0 HE2 LYS A 66 6.911 -8.197 -11.075 1.00 1.73 H new ATOM 0 HE3 LYS A 66 8.143 -7.269 -10.243 1.00 1.73 H new ATOM 0 HZ1 LYS A 66 9.073 -9.205 -11.306 1.00 2.67 H new ATOM 0 HZ2 LYS A 66 9.237 -9.332 -9.621 1.00 2.67 H new ATOM 0 HZ3 LYS A 66 8.044 -10.231 -10.428 1.00 2.67 H new ATOM 1073 N LYS A 67 1.681 -6.556 -8.223 1.00 0.39 N ATOM 1074 CA LYS A 67 0.503 -6.675 -9.076 1.00 0.45 C ATOM 1075 C LYS A 67 -0.484 -5.517 -8.859 1.00 0.47 C ATOM 1076 O LYS A 67 -1.654 -5.673 -9.194 1.00 0.74 O ATOM 1077 CB LYS A 67 -0.161 -8.044 -8.810 1.00 0.58 C ATOM 1078 CG LYS A 67 0.582 -9.215 -9.468 1.00 0.74 C ATOM 1079 CD LYS A 67 -0.127 -10.540 -9.143 1.00 0.87 C ATOM 1080 CE LYS A 67 0.396 -11.676 -10.033 1.00 1.51 C ATOM 1081 NZ LYS A 67 -0.233 -12.976 -9.711 1.00 1.70 N ATOM 0 H LYS A 67 1.515 -6.850 -7.260 1.00 0.39 H new ATOM 0 HA LYS A 67 0.811 -6.615 -10.120 1.00 0.45 H new ATOM 0 HB2 LYS A 67 -0.212 -8.213 -7.734 1.00 0.58 H new ATOM 0 HB3 LYS A 67 -1.187 -8.020 -9.178 1.00 0.58 H new ATOM 0 HG2 LYS A 67 0.622 -9.070 -10.548 1.00 0.74 H new ATOM 0 HG3 LYS A 67 1.612 -9.248 -9.113 1.00 0.74 H new ATOM 0 HD2 LYS A 67 0.030 -10.793 -8.094 1.00 0.87 H new ATOM 0 HD3 LYS A 67 -1.202 -10.426 -9.286 1.00 0.87 H new ATOM 0 HE2 LYS A 67 0.207 -11.432 -11.078 1.00 1.51 H new ATOM 0 HE3 LYS A 67 1.477 -11.759 -9.916 1.00 1.51 H new ATOM 0 HZ1 LYS A 67 -0.065 -13.645 -10.489 1.00 1.70 H new ATOM 0 HZ2 LYS A 67 0.180 -13.354 -8.834 1.00 1.70 H new ATOM 0 HZ3 LYS A 67 -1.257 -12.844 -9.583 1.00 1.70 H new ATOM 1095 N SER A 68 -0.060 -4.367 -8.319 1.00 0.38 N ATOM 1096 CA SER A 68 -0.986 -3.325 -7.892 1.00 0.42 C ATOM 1097 C SER A 68 -1.999 -2.914 -8.970 1.00 0.49 C ATOM 1098 O SER A 68 -1.678 -2.846 -10.153 1.00 0.76 O ATOM 1099 CB SER A 68 -0.230 -2.086 -7.429 1.00 0.47 C ATOM 1100 OG SER A 68 0.332 -2.245 -6.152 1.00 1.87 O ATOM 0 H SER A 68 0.923 -4.140 -8.170 1.00 0.38 H new ATOM 0 HA SER A 68 -1.549 -3.762 -7.067 1.00 0.42 H new ATOM 0 HB2 SER A 68 0.560 -1.858 -8.144 1.00 0.47 H new ATOM 0 HB3 SER A 68 -0.908 -1.233 -7.420 1.00 0.47 H new ATOM 0 HG SER A 68 1.226 -2.637 -6.235 1.00 1.87 H new ATOM 1106 N THR A 69 -3.226 -2.614 -8.527 1.00 0.43 N ATOM 1107 CA THR A 69 -4.374 -2.344 -9.381 1.00 0.45 C ATOM 1108 C THR A 69 -4.372 -0.865 -9.771 1.00 0.47 C ATOM 1109 O THR A 69 -4.143 -0.530 -10.931 1.00 0.68 O ATOM 1110 CB THR A 69 -5.669 -2.867 -8.709 1.00 0.60 C ATOM 1111 OG1 THR A 69 -6.785 -2.606 -9.528 1.00 0.70 O ATOM 1112 CG2 THR A 69 -5.978 -2.333 -7.299 1.00 0.78 C ATOM 0 H THR A 69 -3.447 -2.552 -7.533 1.00 0.43 H new ATOM 0 HA THR A 69 -4.318 -2.890 -10.322 1.00 0.45 H new ATOM 0 HB THR A 69 -5.476 -3.933 -8.588 1.00 0.60 H new ATOM 0 HG1 THR A 69 -7.596 -2.943 -9.093 1.00 0.70 H new ATOM 0 HG21 THR A 69 -6.908 -2.773 -6.939 1.00 0.78 H new ATOM 0 HG22 THR A 69 -5.165 -2.599 -6.623 1.00 0.78 H new ATOM 0 HG23 THR A 69 -6.080 -1.248 -7.335 1.00 0.78 H new ATOM 1120 N ARG A 70 -4.572 0.046 -8.812 1.00 0.53 N ATOM 1121 CA ARG A 70 -4.482 1.484 -9.066 1.00 0.74 C ATOM 1122 C ARG A 70 -3.295 2.128 -8.386 1.00 0.59 C ATOM 1123 O ARG A 70 -3.241 3.351 -8.261 1.00 0.69 O ATOM 1124 CB ARG A 70 -5.781 2.166 -8.663 1.00 1.08 C ATOM 1125 CG ARG A 70 -6.854 1.649 -9.608 1.00 1.59 C ATOM 1126 CD ARG A 70 -8.071 2.552 -9.541 1.00 2.09 C ATOM 1127 NE ARG A 70 -8.993 2.169 -10.618 1.00 2.96 N ATOM 1128 CZ ARG A 70 -9.398 2.925 -11.645 1.00 3.95 C ATOM 1129 NH1 ARG A 70 -9.167 4.238 -11.663 1.00 4.61 N ATOM 1130 NH2 ARG A 70 -10.038 2.352 -12.664 1.00 4.91 N ATOM 0 H ARG A 70 -4.799 -0.192 -7.846 1.00 0.53 H new ATOM 0 HA ARG A 70 -4.325 1.615 -10.137 1.00 0.74 H new ATOM 0 HB2 ARG A 70 -6.034 1.937 -7.628 1.00 1.08 H new ATOM 0 HB3 ARG A 70 -5.689 3.250 -8.737 1.00 1.08 H new ATOM 0 HG2 ARG A 70 -6.469 1.616 -10.627 1.00 1.59 H new ATOM 0 HG3 ARG A 70 -7.130 0.630 -9.338 1.00 1.59 H new ATOM 0 HD2 ARG A 70 -8.560 2.458 -8.572 1.00 2.09 H new ATOM 0 HD3 ARG A 70 -7.775 3.596 -9.648 1.00 2.09 H new ATOM 0 HE ARG A 70 -9.366 1.221 -10.579 1.00 2.96 H new ATOM 0 HH11 ARG A 70 -8.675 4.680 -10.886 1.00 4.61 H new ATOM 0 HH12 ARG A 70 -9.482 4.800 -12.453 1.00 4.61 H new ATOM 0 HH21 ARG A 70 -10.214 1.347 -12.655 1.00 4.91 H new ATOM 0 HH22 ARG A 70 -10.352 2.918 -13.452 1.00 4.91 H new ATOM 1144 N LEU A 71 -2.329 1.321 -7.966 1.00 0.50 N ATOM 1145 CA LEU A 71 -1.058 1.827 -7.543 1.00 0.47 C ATOM 1146 C LEU A 71 -0.003 1.183 -8.435 1.00 0.42 C ATOM 1147 O LEU A 71 -0.291 0.216 -9.136 1.00 0.48 O ATOM 1148 CB LEU A 71 -0.838 1.592 -6.040 1.00 0.47 C ATOM 1149 CG LEU A 71 -2.052 1.333 -5.126 1.00 0.71 C ATOM 1150 CD1 LEU A 71 -1.545 1.236 -3.683 1.00 1.21 C ATOM 1151 CD2 LEU A 71 -3.117 2.433 -5.181 1.00 1.15 C ATOM 0 H LEU A 71 -2.417 0.306 -7.914 1.00 0.50 H new ATOM 0 HA LEU A 71 -0.997 2.909 -7.656 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.165 0.741 -5.938 1.00 0.47 H new ATOM 0 HB3 LEU A 71 -0.313 2.463 -5.647 1.00 0.47 H new ATOM 0 HG LEU A 71 -2.524 0.415 -5.475 1.00 0.71 H new ATOM 0 HD11 LEU A 71 -2.385 1.053 -3.014 1.00 1.21 H new ATOM 0 HD12 LEU A 71 -0.831 0.416 -3.602 1.00 1.21 H new ATOM 0 HD13 LEU A 71 -1.057 2.170 -3.405 1.00 1.21 H new ATOM 0 HD21 LEU A 71 -3.938 2.178 -4.511 1.00 1.15 H new ATOM 0 HD22 LEU A 71 -2.677 3.381 -4.871 1.00 1.15 H new ATOM 0 HD23 LEU A 71 -3.494 2.524 -6.200 1.00 1.15 H new ATOM 1163 N GLN A 72 1.217 1.703 -8.417 1.00 0.38 N ATOM 1164 CA GLN A 72 2.347 1.158 -9.142 1.00 0.39 C ATOM 1165 C GLN A 72 3.505 1.142 -8.166 1.00 0.35 C ATOM 1166 O GLN A 72 3.867 2.184 -7.627 1.00 0.35 O ATOM 1167 CB GLN A 72 2.689 2.036 -10.350 1.00 0.50 C ATOM 1168 CG GLN A 72 1.840 1.681 -11.571 1.00 1.09 C ATOM 1169 CD GLN A 72 2.241 2.521 -12.782 1.00 2.06 C ATOM 1170 OE1 GLN A 72 2.834 3.590 -12.654 1.00 3.04 O ATOM 1171 NE2 GLN A 72 1.935 2.042 -13.982 1.00 2.71 N ATOM 0 H GLN A 72 1.450 2.539 -7.881 1.00 0.38 H new ATOM 0 HA GLN A 72 2.126 0.160 -9.521 1.00 0.39 H new ATOM 0 HB2 GLN A 72 2.535 3.084 -10.093 1.00 0.50 H new ATOM 0 HB3 GLN A 72 3.745 1.920 -10.596 1.00 0.50 H new ATOM 0 HG2 GLN A 72 1.957 0.623 -11.804 1.00 1.09 H new ATOM 0 HG3 GLN A 72 0.786 1.843 -11.345 1.00 1.09 H new ATOM 0 HE21 GLN A 72 1.443 1.153 -14.066 1.00 2.71 H new ATOM 0 HE22 GLN A 72 2.192 2.563 -14.820 1.00 2.71 H new ATOM 1180 N VAL A 73 4.082 -0.029 -7.930 1.00 0.35 N ATOM 1181 CA VAL A 73 5.220 -0.168 -7.048 1.00 0.33 C ATOM 1182 C VAL A 73 6.461 0.053 -7.902 1.00 0.34 C ATOM 1183 O VAL A 73 6.511 -0.356 -9.061 1.00 0.41 O ATOM 1184 CB VAL A 73 5.190 -1.543 -6.354 1.00 0.39 C ATOM 1185 CG1 VAL A 73 5.563 -2.708 -7.274 1.00 0.71 C ATOM 1186 CG2 VAL A 73 6.119 -1.575 -5.138 1.00 0.90 C ATOM 0 H VAL A 73 3.770 -0.906 -8.347 1.00 0.35 H new ATOM 0 HA VAL A 73 5.210 0.563 -6.240 1.00 0.33 H new ATOM 0 HB VAL A 73 4.152 -1.675 -6.047 1.00 0.39 H new ATOM 0 HG11 VAL A 73 5.519 -3.642 -6.714 1.00 0.71 H new ATOM 0 HG12 VAL A 73 4.863 -2.752 -8.108 1.00 0.71 H new ATOM 0 HG13 VAL A 73 6.573 -2.561 -7.656 1.00 0.71 H new ATOM 0 HG21 VAL A 73 6.074 -2.559 -4.672 1.00 0.90 H new ATOM 0 HG22 VAL A 73 7.141 -1.370 -5.456 1.00 0.90 H new ATOM 0 HG23 VAL A 73 5.804 -0.818 -4.420 1.00 0.90 H new ATOM 1196 N SER A 74 7.445 0.748 -7.343 1.00 0.32 N ATOM 1197 CA SER A 74 8.747 0.868 -7.961 1.00 0.40 C ATOM 1198 C SER A 74 9.404 -0.503 -8.024 1.00 0.69 C ATOM 1199 O SER A 74 9.041 -1.418 -7.287 1.00 0.90 O ATOM 1200 CB SER A 74 9.596 1.878 -7.185 1.00 0.88 C ATOM 1201 OG SER A 74 10.833 2.077 -7.838 1.00 1.38 O ATOM 0 H SER A 74 7.357 1.239 -6.453 1.00 0.32 H new ATOM 0 HA SER A 74 8.649 1.238 -8.981 1.00 0.40 H new ATOM 0 HB2 SER A 74 9.063 2.825 -7.103 1.00 0.88 H new ATOM 0 HB3 SER A 74 9.766 1.518 -6.170 1.00 0.88 H new ATOM 0 HG SER A 74 11.368 2.726 -7.335 1.00 1.38 H new ATOM 1207 N GLU A 75 10.423 -0.616 -8.869 1.00 0.94 N ATOM 1208 CA GLU A 75 11.252 -1.803 -8.980 1.00 1.49 C ATOM 1209 C GLU A 75 11.966 -2.078 -7.655 1.00 1.14 C ATOM 1210 O GLU A 75 12.343 -3.216 -7.390 1.00 1.42 O ATOM 1211 CB GLU A 75 12.251 -1.601 -10.125 1.00 2.10 C ATOM 1212 CG GLU A 75 11.525 -1.575 -11.477 1.00 2.73 C ATOM 1213 CD GLU A 75 12.389 -0.929 -12.558 1.00 2.94 C ATOM 1214 OE1 GLU A 75 12.352 0.320 -12.633 1.00 3.19 O ATOM 1215 OE2 GLU A 75 13.064 -1.687 -13.288 1.00 3.42 O ATOM 0 H GLU A 75 10.698 0.131 -9.507 1.00 0.94 H new ATOM 0 HA GLU A 75 10.633 -2.673 -9.201 1.00 1.49 H new ATOM 0 HB2 GLU A 75 12.795 -0.667 -9.980 1.00 2.10 H new ATOM 0 HB3 GLU A 75 12.988 -2.404 -10.117 1.00 2.10 H new ATOM 0 HG2 GLU A 75 11.267 -2.592 -11.774 1.00 2.73 H new ATOM 0 HG3 GLU A 75 10.589 -1.025 -11.379 1.00 2.73 H new ATOM 1222 N ASP A 76 12.133 -1.058 -6.803 1.00 0.71 N ATOM 1223 CA ASP A 76 12.783 -1.241 -5.511 1.00 0.57 C ATOM 1224 C ASP A 76 11.855 -1.962 -4.531 1.00 0.53 C ATOM 1225 O ASP A 76 12.300 -2.476 -3.508 1.00 0.66 O ATOM 1226 CB ASP A 76 13.200 0.120 -4.941 1.00 0.75 C ATOM 1227 CG ASP A 76 14.258 -0.039 -3.847 1.00 1.36 C ATOM 1228 OD1 ASP A 76 15.275 -0.710 -4.128 1.00 2.24 O ATOM 1229 OD2 ASP A 76 14.061 0.540 -2.756 1.00 2.35 O ATOM 0 H ASP A 76 11.826 -0.103 -6.990 1.00 0.71 H new ATOM 0 HA ASP A 76 13.671 -1.857 -5.654 1.00 0.57 H new ATOM 0 HB2 ASP A 76 13.592 0.748 -5.741 1.00 0.75 H new ATOM 0 HB3 ASP A 76 12.327 0.630 -4.535 1.00 0.75 H new ATOM 1234 N GLY A 77 10.541 -1.961 -4.799 1.00 0.44 N ATOM 1235 CA GLY A 77 9.567 -2.573 -3.901 1.00 0.43 C ATOM 1236 C GLY A 77 9.572 -1.917 -2.529 1.00 0.46 C ATOM 1237 O GLY A 77 9.198 -2.549 -1.548 1.00 0.79 O ATOM 0 H GLY A 77 10.134 -1.540 -5.634 1.00 0.44 H new ATOM 0 HA2 GLY A 77 8.571 -2.495 -4.337 1.00 0.43 H new ATOM 0 HA3 GLY A 77 9.787 -3.636 -3.796 1.00 0.43 H new ATOM 1241 N LYS A 78 9.945 -0.636 -2.466 1.00 0.31 N ATOM 1242 CA LYS A 78 9.910 0.182 -1.260 1.00 0.33 C ATOM 1243 C LYS A 78 9.245 1.522 -1.532 1.00 0.30 C ATOM 1244 O LYS A 78 9.232 2.384 -0.660 1.00 0.39 O ATOM 1245 CB LYS A 78 11.330 0.365 -0.729 1.00 0.47 C ATOM 1246 CG LYS A 78 11.731 -0.866 0.080 1.00 0.91 C ATOM 1247 CD LYS A 78 13.247 -1.003 0.121 1.00 1.10 C ATOM 1248 CE LYS A 78 13.569 -2.156 1.067 1.00 1.71 C ATOM 1249 NZ LYS A 78 14.967 -2.598 0.907 1.00 2.68 N ATOM 0 H LYS A 78 10.290 -0.128 -3.280 1.00 0.31 H new ATOM 0 HA LYS A 78 9.315 -0.325 -0.501 1.00 0.33 H new ATOM 0 HB2 LYS A 78 12.024 0.512 -1.557 1.00 0.47 H new ATOM 0 HB3 LYS A 78 11.385 1.257 -0.105 1.00 0.47 H new ATOM 0 HG2 LYS A 78 11.339 -0.786 1.094 1.00 0.91 H new ATOM 0 HG3 LYS A 78 11.291 -1.759 -0.363 1.00 0.91 H new ATOM 0 HD2 LYS A 78 13.643 -1.200 -0.875 1.00 1.10 H new ATOM 0 HD3 LYS A 78 13.708 -0.079 0.470 1.00 1.10 H new ATOM 0 HE2 LYS A 78 13.398 -1.844 2.097 1.00 1.71 H new ATOM 0 HE3 LYS A 78 12.896 -2.990 0.871 1.00 1.71 H new ATOM 0 HZ1 LYS A 78 15.160 -3.383 1.562 1.00 2.68 H new ATOM 0 HZ2 LYS A 78 15.120 -2.917 -0.071 1.00 2.68 H new ATOM 0 HZ3 LYS A 78 15.608 -1.806 1.117 1.00 2.68 H new ATOM 1263 N MET A 79 8.637 1.695 -2.704 1.00 0.27 N ATOM 1264 CA MET A 79 7.658 2.749 -2.869 1.00 0.23 C ATOM 1265 C MET A 79 6.552 2.236 -3.747 1.00 0.31 C ATOM 1266 O MET A 79 6.768 1.345 -4.563 1.00 0.44 O ATOM 1267 CB MET A 79 8.238 4.013 -3.529 1.00 0.42 C ATOM 1268 CG MET A 79 9.556 4.520 -2.944 1.00 1.23 C ATOM 1269 SD MET A 79 11.017 3.660 -3.590 1.00 1.99 S ATOM 1270 CE MET A 79 12.143 3.899 -2.194 1.00 2.58 C ATOM 0 H MET A 79 8.805 1.127 -3.534 1.00 0.27 H new ATOM 0 HA MET A 79 7.308 3.024 -1.874 1.00 0.23 H new ATOM 0 HB2 MET A 79 8.386 3.811 -4.590 1.00 0.42 H new ATOM 0 HB3 MET A 79 7.499 4.811 -3.456 1.00 0.42 H new ATOM 0 HG2 MET A 79 9.650 5.586 -3.153 1.00 1.23 H new ATOM 0 HG3 MET A 79 9.529 4.409 -1.860 1.00 1.23 H new ATOM 0 HE1 MET A 79 13.173 3.797 -2.536 1.00 2.58 H new ATOM 0 HE2 MET A 79 11.996 4.894 -1.775 1.00 2.58 H new ATOM 0 HE3 MET A 79 11.939 3.149 -1.429 1.00 2.58 H new ATOM 1280 N VAL A 80 5.390 2.854 -3.621 1.00 0.30 N ATOM 1281 CA VAL A 80 4.281 2.653 -4.514 1.00 0.29 C ATOM 1282 C VAL A 80 3.599 4.009 -4.631 1.00 0.31 C ATOM 1283 O VAL A 80 3.626 4.782 -3.676 1.00 0.39 O ATOM 1284 CB VAL A 80 3.405 1.506 -3.974 1.00 0.39 C ATOM 1285 CG1 VAL A 80 3.084 1.646 -2.484 1.00 1.20 C ATOM 1286 CG2 VAL A 80 2.083 1.383 -4.717 1.00 1.36 C ATOM 0 H VAL A 80 5.195 3.523 -2.876 1.00 0.30 H new ATOM 0 HA VAL A 80 4.556 2.332 -5.519 1.00 0.29 H new ATOM 0 HB VAL A 80 4.009 0.613 -4.133 1.00 0.39 H new ATOM 0 HG11 VAL A 80 2.465 0.808 -2.165 1.00 1.20 H new ATOM 0 HG12 VAL A 80 4.011 1.651 -1.911 1.00 1.20 H new ATOM 0 HG13 VAL A 80 2.547 2.579 -2.314 1.00 1.20 H new ATOM 0 HG21 VAL A 80 1.505 0.560 -4.297 1.00 1.36 H new ATOM 0 HG22 VAL A 80 1.521 2.311 -4.615 1.00 1.36 H new ATOM 0 HG23 VAL A 80 2.275 1.190 -5.772 1.00 1.36 H new ATOM 1296 N ARG A 81 3.023 4.323 -5.793 1.00 0.29 N ATOM 1297 CA ARG A 81 2.259 5.561 -5.946 1.00 0.33 C ATOM 1298 C ARG A 81 0.879 5.227 -6.458 1.00 0.33 C ATOM 1299 O ARG A 81 0.744 4.276 -7.222 1.00 0.37 O ATOM 1300 CB ARG A 81 2.962 6.599 -6.834 1.00 0.49 C ATOM 1301 CG ARG A 81 3.002 6.351 -8.349 1.00 1.17 C ATOM 1302 CD ARG A 81 4.084 5.338 -8.722 1.00 1.62 C ATOM 1303 NE ARG A 81 4.457 5.459 -10.142 1.00 2.36 N ATOM 1304 CZ ARG A 81 5.707 5.497 -10.622 1.00 2.88 C ATOM 1305 NH1 ARG A 81 6.747 5.219 -9.833 1.00 3.34 N ATOM 1306 NH2 ARG A 81 5.918 5.821 -11.898 1.00 3.56 N ATOM 0 H ARG A 81 3.070 3.745 -6.632 1.00 0.29 H new ATOM 0 HA ARG A 81 2.180 6.033 -4.967 1.00 0.33 H new ATOM 0 HB2 ARG A 81 2.479 7.562 -6.667 1.00 0.49 H new ATOM 0 HB3 ARG A 81 3.990 6.694 -6.485 1.00 0.49 H new ATOM 0 HG2 ARG A 81 2.031 5.988 -8.685 1.00 1.17 H new ATOM 0 HG3 ARG A 81 3.188 7.291 -8.868 1.00 1.17 H new ATOM 0 HD2 ARG A 81 4.963 5.494 -8.097 1.00 1.62 H new ATOM 0 HD3 ARG A 81 3.726 4.328 -8.522 1.00 1.62 H new ATOM 0 HE ARG A 81 3.697 5.519 -10.819 1.00 2.36 H new ATOM 0 HH11 ARG A 81 6.594 4.975 -8.855 1.00 3.34 H new ATOM 0 HH12 ARG A 81 7.695 5.251 -10.208 1.00 3.34 H new ATOM 0 HH21 ARG A 81 5.129 6.039 -12.506 1.00 3.56 H new ATOM 0 HH22 ARG A 81 6.869 5.851 -12.266 1.00 3.56 H new ATOM 1320 N ARG A 82 -0.133 5.982 -6.038 1.00 0.45 N ATOM 1321 CA ARG A 82 -1.502 5.768 -6.488 1.00 0.52 C ATOM 1322 C ARG A 82 -1.810 6.699 -7.654 1.00 0.48 C ATOM 1323 O ARG A 82 -0.919 7.390 -8.142 1.00 0.70 O ATOM 1324 CB ARG A 82 -2.467 5.853 -5.293 1.00 0.95 C ATOM 1325 CG ARG A 82 -2.469 7.160 -4.494 1.00 1.11 C ATOM 1326 CD ARG A 82 -3.268 8.294 -5.144 1.00 1.46 C ATOM 1327 NE ARG A 82 -3.716 9.244 -4.116 1.00 1.67 N ATOM 1328 CZ ARG A 82 -4.730 10.111 -4.243 1.00 2.50 C ATOM 1329 NH1 ARG A 82 -5.269 10.351 -5.436 1.00 3.47 N ATOM 1330 NH2 ARG A 82 -5.221 10.735 -3.173 1.00 3.24 N ATOM 0 H ARG A 82 -0.027 6.754 -5.380 1.00 0.45 H new ATOM 0 HA ARG A 82 -1.638 4.762 -6.884 1.00 0.52 H new ATOM 0 HB2 ARG A 82 -3.478 5.679 -5.661 1.00 0.95 H new ATOM 0 HB3 ARG A 82 -2.232 5.038 -4.609 1.00 0.95 H new ATOM 0 HG2 ARG A 82 -2.877 6.965 -3.502 1.00 1.11 H new ATOM 0 HG3 ARG A 82 -1.439 7.489 -4.356 1.00 1.11 H new ATOM 0 HD2 ARG A 82 -2.652 8.808 -5.882 1.00 1.46 H new ATOM 0 HD3 ARG A 82 -4.129 7.886 -5.675 1.00 1.46 H new ATOM 0 HE ARG A 82 -3.212 9.243 -3.229 1.00 1.67 H new ATOM 0 HH11 ARG A 82 -4.911 9.873 -6.263 1.00 3.47 H new ATOM 0 HH12 ARG A 82 -6.041 11.012 -5.523 1.00 3.47 H new ATOM 0 HH21 ARG A 82 -4.825 10.554 -2.251 1.00 3.24 H new ATOM 0 HH22 ARG A 82 -5.993 11.394 -3.276 1.00 3.24 H new