USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 510 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.55! C(o=-1.6!,f=-5.2!) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 11 HIS : no HE2:sc= -0.349 K(o=-0.35,f=-1.7!) USER MOD Single : A 18 ASN : amide:sc= -0.505 X(o=-0.51,f=-0.02) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -157:sc= 0.0488 (180deg=0.00272) USER MOD Single : A 28 ASN : amide:sc= -3.97! C(o=-4!,f=-10!) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= -1.05 (180deg=-1.62) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00192 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 0.23 (180deg=0.0911) USER MOD Single : A 42 ASN : amide:sc= -0.77 K(o=-0.77,f=-0.11) USER MOD Single : A 45 ASN : amide:sc=-6.8e-05 X(o=-6.8e-05,f=-0.36) USER MOD Single : A 46 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.011) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0206 (180deg=-0.313) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0906 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.913 -0.056 -19.081 1.00 21.30 N ATOM 2 CA MET A 1 32.390 1.323 -19.295 1.00 21.02 C ATOM 3 C MET A 1 31.036 1.481 -18.595 1.00 20.37 C ATOM 4 O MET A 1 30.856 2.346 -17.760 1.00 20.39 O ATOM 5 CB MET A 1 32.217 1.573 -20.800 1.00 21.44 C ATOM 6 CG MET A 1 32.079 3.076 -21.077 1.00 21.88 C ATOM 7 SD MET A 1 30.410 3.622 -20.637 1.00 22.37 S ATOM 8 CE MET A 1 29.628 3.265 -22.230 1.00 22.77 C ATOM 0 H1 MET A 1 33.832 -0.157 -19.558 1.00 21.30 H new ATOM 0 H2 MET A 1 33.031 -0.228 -18.062 1.00 21.30 H new ATOM 0 H3 MET A 1 32.242 -0.747 -19.473 1.00 21.30 H new ATOM 0 HA MET A 1 33.095 2.043 -18.880 1.00 21.02 H new ATOM 0 HB2 MET A 1 33.073 1.173 -21.343 1.00 21.44 H new ATOM 0 HB3 MET A 1 31.335 1.047 -21.164 1.00 21.44 H new ATOM 0 HG2 MET A 1 32.818 3.632 -20.501 1.00 21.88 H new ATOM 0 HG3 MET A 1 32.275 3.282 -22.129 1.00 21.88 H new ATOM 0 HE1 MET A 1 28.572 3.531 -22.185 1.00 22.77 H new ATOM 0 HE2 MET A 1 30.115 3.846 -23.013 1.00 22.77 H new ATOM 0 HE3 MET A 1 29.725 2.202 -22.453 1.00 22.77 H new ATOM 20 N LYS A 2 30.080 0.659 -18.934 1.00 19.90 N ATOM 21 CA LYS A 2 28.740 0.772 -18.291 1.00 19.38 C ATOM 22 C LYS A 2 28.836 0.356 -16.822 1.00 18.83 C ATOM 23 O LYS A 2 29.440 -0.642 -16.485 1.00 18.89 O ATOM 24 CB LYS A 2 27.750 -0.140 -19.021 1.00 19.49 C ATOM 25 CG LYS A 2 26.330 0.119 -18.506 1.00 19.58 C ATOM 26 CD LYS A 2 25.369 -0.923 -19.093 1.00 19.81 C ATOM 27 CE LYS A 2 25.265 -0.749 -20.613 1.00 19.99 C ATOM 28 NZ LYS A 2 24.026 -1.415 -21.104 1.00 20.19 N ATOM 0 H LYS A 2 30.169 -0.084 -19.627 1.00 19.90 H new ATOM 0 HA LYS A 2 28.395 1.804 -18.348 1.00 19.38 H new ATOM 0 HB2 LYS A 2 27.796 0.043 -20.095 1.00 19.49 H new ATOM 0 HB3 LYS A 2 28.019 -1.184 -18.863 1.00 19.49 H new ATOM 0 HG2 LYS A 2 26.313 0.071 -17.417 1.00 19.58 H new ATOM 0 HG3 LYS A 2 26.009 1.122 -18.786 1.00 19.58 H new ATOM 0 HD2 LYS A 2 25.722 -1.927 -18.858 1.00 19.81 H new ATOM 0 HD3 LYS A 2 24.384 -0.817 -18.639 1.00 19.81 H new ATOM 0 HE2 LYS A 2 25.247 0.311 -20.868 1.00 19.99 H new ATOM 0 HE3 LYS A 2 26.140 -1.180 -21.100 1.00 19.99 H new ATOM 0 HZ1 LYS A 2 23.954 -1.298 -22.135 1.00 20.19 H new ATOM 0 HZ2 LYS A 2 24.061 -2.428 -20.872 1.00 20.19 H new ATOM 0 HZ3 LYS A 2 23.196 -0.984 -20.648 1.00 20.19 H new ATOM 42 N ALA A 3 28.238 1.116 -15.943 1.00 18.43 N ATOM 43 CA ALA A 3 28.288 0.768 -14.495 1.00 18.03 C ATOM 44 C ALA A 3 27.084 1.392 -13.783 1.00 17.59 C ATOM 45 O ALA A 3 26.486 2.335 -14.260 1.00 17.73 O ATOM 46 CB ALA A 3 29.585 1.308 -13.887 1.00 18.23 C ATOM 0 H ALA A 3 27.717 1.964 -16.167 1.00 18.43 H new ATOM 0 HA ALA A 3 28.258 -0.315 -14.375 1.00 18.03 H new ATOM 0 HB1 ALA A 3 29.623 1.054 -12.828 1.00 18.23 H new ATOM 0 HB2 ALA A 3 30.439 0.863 -14.398 1.00 18.23 H new ATOM 0 HB3 ALA A 3 29.617 2.391 -14.002 1.00 18.23 H new ATOM 52 N ILE A 4 26.726 0.866 -12.644 1.00 17.22 N ATOM 53 CA ILE A 4 25.561 1.414 -11.895 1.00 16.95 C ATOM 54 C ILE A 4 25.523 0.783 -10.500 1.00 16.44 C ATOM 55 O ILE A 4 24.980 1.340 -9.566 1.00 16.48 O ATOM 56 CB ILE A 4 24.271 1.076 -12.656 1.00 17.23 C ATOM 57 CG1 ILE A 4 23.068 1.805 -12.032 1.00 17.55 C ATOM 58 CG2 ILE A 4 24.027 -0.436 -12.597 1.00 17.35 C ATOM 59 CD1 ILE A 4 23.102 3.304 -12.364 1.00 17.72 C ATOM 0 H ILE A 4 27.193 0.076 -12.198 1.00 17.22 H new ATOM 0 HA ILE A 4 25.651 2.496 -11.800 1.00 16.95 H new ATOM 0 HB ILE A 4 24.382 1.398 -13.691 1.00 17.23 H new ATOM 0 HG12 ILE A 4 22.141 1.368 -12.402 1.00 17.55 H new ATOM 0 HG13 ILE A 4 23.076 1.668 -10.951 1.00 17.55 H new ATOM 0 HG21 ILE A 4 23.111 -0.678 -13.137 1.00 17.35 H new ATOM 0 HG22 ILE A 4 24.867 -0.958 -13.055 1.00 17.35 H new ATOM 0 HG23 ILE A 4 23.929 -0.748 -11.557 1.00 17.35 H new ATOM 0 HD11 ILE A 4 22.241 3.796 -11.912 1.00 17.72 H new ATOM 0 HD12 ILE A 4 24.019 3.743 -11.971 1.00 17.72 H new ATOM 0 HD13 ILE A 4 23.070 3.438 -13.445 1.00 17.72 H new ATOM 71 N PHE A 5 26.093 -0.384 -10.362 1.00 16.11 N ATOM 72 CA PHE A 5 26.095 -1.075 -9.043 1.00 15.78 C ATOM 73 C PHE A 5 27.111 -0.420 -8.109 1.00 15.39 C ATOM 74 O PHE A 5 27.123 -0.666 -6.919 1.00 15.53 O ATOM 75 CB PHE A 5 26.464 -2.546 -9.239 1.00 15.91 C ATOM 76 CG PHE A 5 27.813 -2.646 -9.916 1.00 16.27 C ATOM 77 CD1 PHE A 5 28.984 -2.683 -9.147 1.00 16.49 C ATOM 78 CD2 PHE A 5 27.893 -2.701 -11.314 1.00 16.55 C ATOM 79 CE1 PHE A 5 30.232 -2.777 -9.775 1.00 16.98 C ATOM 80 CE2 PHE A 5 29.142 -2.796 -11.941 1.00 17.03 C ATOM 81 CZ PHE A 5 30.311 -2.834 -11.172 1.00 17.24 C ATOM 0 H PHE A 5 26.561 -0.891 -11.113 1.00 16.11 H new ATOM 0 HA PHE A 5 25.101 -0.999 -8.601 1.00 15.78 H new ATOM 0 HB2 PHE A 5 26.491 -3.056 -8.276 1.00 15.91 H new ATOM 0 HB3 PHE A 5 25.705 -3.044 -9.843 1.00 15.91 H new ATOM 0 HD1 PHE A 5 28.924 -2.639 -8.070 1.00 16.49 H new ATOM 0 HD2 PHE A 5 26.992 -2.670 -11.908 1.00 16.55 H new ATOM 0 HE1 PHE A 5 31.134 -2.806 -9.182 1.00 16.98 H new ATOM 0 HE2 PHE A 5 29.203 -2.840 -13.018 1.00 17.03 H new ATOM 0 HZ PHE A 5 31.274 -2.907 -11.656 1.00 17.24 H new ATOM 91 N VAL A 6 27.964 0.412 -8.635 1.00 15.04 N ATOM 92 CA VAL A 6 28.975 1.080 -7.773 1.00 14.79 C ATOM 93 C VAL A 6 28.247 1.921 -6.722 1.00 14.55 C ATOM 94 O VAL A 6 28.637 1.973 -5.573 1.00 14.58 O ATOM 95 CB VAL A 6 29.861 1.972 -8.649 1.00 14.86 C ATOM 96 CG1 VAL A 6 30.768 2.845 -7.774 1.00 15.09 C ATOM 97 CG2 VAL A 6 30.723 1.085 -9.548 1.00 15.03 C ATOM 0 H VAL A 6 28.005 0.658 -9.624 1.00 15.04 H new ATOM 0 HA VAL A 6 29.600 0.342 -7.270 1.00 14.79 H new ATOM 0 HB VAL A 6 29.229 2.621 -9.256 1.00 14.86 H new ATOM 0 HG11 VAL A 6 31.392 3.473 -8.410 1.00 15.09 H new ATOM 0 HG12 VAL A 6 30.155 3.476 -7.130 1.00 15.09 H new ATOM 0 HG13 VAL A 6 31.403 2.208 -7.159 1.00 15.09 H new ATOM 0 HG21 VAL A 6 31.358 1.711 -10.176 1.00 15.03 H new ATOM 0 HG22 VAL A 6 31.347 0.439 -8.931 1.00 15.03 H new ATOM 0 HG23 VAL A 6 30.079 0.472 -10.179 1.00 15.03 H new ATOM 107 N LEU A 7 27.185 2.578 -7.118 1.00 14.47 N ATOM 108 CA LEU A 7 26.401 3.427 -6.168 1.00 14.40 C ATOM 109 C LEU A 7 24.997 2.838 -6.009 1.00 13.90 C ATOM 110 O LEU A 7 24.446 2.271 -6.932 1.00 13.91 O ATOM 111 CB LEU A 7 26.289 4.841 -6.740 1.00 14.97 C ATOM 112 CG LEU A 7 27.686 5.418 -6.988 1.00 15.35 C ATOM 113 CD1 LEU A 7 27.549 6.822 -7.582 1.00 15.68 C ATOM 114 CD2 LEU A 7 28.471 5.492 -5.666 1.00 15.83 C ATOM 0 H LEU A 7 26.823 2.562 -8.072 1.00 14.47 H new ATOM 0 HA LEU A 7 26.900 3.457 -5.199 1.00 14.40 H new ATOM 0 HB2 LEU A 7 25.724 4.821 -7.672 1.00 14.97 H new ATOM 0 HB3 LEU A 7 25.740 5.480 -6.048 1.00 14.97 H new ATOM 0 HG LEU A 7 28.225 4.773 -7.682 1.00 15.35 H new ATOM 0 HD11 LEU A 7 28.540 7.239 -7.761 1.00 15.68 H new ATOM 0 HD12 LEU A 7 27.003 6.767 -8.524 1.00 15.68 H new ATOM 0 HD13 LEU A 7 27.007 7.461 -6.885 1.00 15.68 H new ATOM 0 HD21 LEU A 7 29.463 5.904 -5.854 1.00 15.83 H new ATOM 0 HD22 LEU A 7 27.940 6.133 -4.963 1.00 15.83 H new ATOM 0 HD23 LEU A 7 28.568 4.492 -5.244 1.00 15.83 H new ATOM 126 N ASN A 8 24.415 2.973 -4.842 1.00 13.63 N ATOM 127 CA ASN A 8 23.040 2.429 -4.600 1.00 13.29 C ATOM 128 C ASN A 8 22.171 3.516 -3.964 1.00 12.82 C ATOM 129 O ASN A 8 22.653 4.560 -3.571 1.00 12.84 O ATOM 130 CB ASN A 8 23.127 1.222 -3.660 1.00 13.45 C ATOM 131 CG ASN A 8 23.756 1.643 -2.330 1.00 13.72 C ATOM 132 OD1 ASN A 8 23.562 2.752 -1.875 1.00 13.79 O ATOM 133 ND2 ASN A 8 24.508 0.795 -1.684 1.00 14.06 N ATOM 0 H ASN A 8 24.837 3.441 -4.040 1.00 13.63 H new ATOM 0 HA ASN A 8 22.597 2.117 -5.546 1.00 13.29 H new ATOM 0 HB2 ASN A 8 22.132 0.811 -3.488 1.00 13.45 H new ATOM 0 HB3 ASN A 8 23.722 0.433 -4.120 1.00 13.45 H new ATOM 0 HD21 ASN A 8 24.933 1.063 -0.797 1.00 14.06 H new ATOM 0 HD22 ASN A 8 24.671 -0.136 -2.066 1.00 14.06 H new ATOM 140 N ALA A 9 20.891 3.282 -3.866 1.00 12.57 N ATOM 141 CA ALA A 9 19.994 4.307 -3.264 1.00 12.28 C ATOM 142 C ALA A 9 20.415 4.569 -1.817 1.00 11.84 C ATOM 143 O ALA A 9 20.073 3.830 -0.916 1.00 12.04 O ATOM 144 CB ALA A 9 18.548 3.801 -3.296 1.00 12.50 C ATOM 0 H ALA A 9 20.429 2.427 -4.176 1.00 12.57 H new ATOM 0 HA ALA A 9 20.066 5.234 -3.834 1.00 12.28 H new ATOM 0 HB1 ALA A 9 17.890 4.550 -2.856 1.00 12.50 H new ATOM 0 HB2 ALA A 9 18.249 3.618 -4.328 1.00 12.50 H new ATOM 0 HB3 ALA A 9 18.474 2.874 -2.727 1.00 12.50 H new ATOM 150 N GLN A 10 21.157 5.617 -1.589 1.00 11.42 N ATOM 151 CA GLN A 10 21.603 5.931 -0.202 1.00 11.16 C ATOM 152 C GLN A 10 20.460 6.612 0.551 1.00 10.55 C ATOM 153 O GLN A 10 19.598 7.232 -0.041 1.00 10.61 O ATOM 154 CB GLN A 10 22.816 6.861 -0.256 1.00 11.48 C ATOM 155 CG GLN A 10 23.310 7.141 1.165 1.00 11.97 C ATOM 156 CD GLN A 10 24.588 7.980 1.107 1.00 12.47 C ATOM 157 OE1 GLN A 10 25.055 8.322 0.039 1.00 12.70 O ATOM 158 NE2 GLN A 10 25.180 8.322 2.219 1.00 12.83 N ATOM 0 H GLN A 10 21.474 6.271 -2.305 1.00 11.42 H new ATOM 0 HA GLN A 10 21.880 5.012 0.314 1.00 11.16 H new ATOM 0 HB2 GLN A 10 23.611 6.404 -0.845 1.00 11.48 H new ATOM 0 HB3 GLN A 10 22.549 7.795 -0.750 1.00 11.48 H new ATOM 0 HG2 GLN A 10 22.542 7.668 1.731 1.00 11.97 H new ATOM 0 HG3 GLN A 10 23.502 6.203 1.686 1.00 11.97 H new ATOM 0 HE21 GLN A 10 24.787 8.034 3.115 1.00 12.83 H new ATOM 0 HE22 GLN A 10 26.035 8.877 2.192 1.00 12.83 H new ATOM 167 N HIS A 11 20.438 6.500 1.851 1.00 10.17 N ATOM 168 CA HIS A 11 19.341 7.139 2.630 1.00 9.77 C ATOM 169 C HIS A 11 19.481 8.659 2.548 1.00 9.16 C ATOM 170 O HIS A 11 20.495 9.218 2.918 1.00 9.25 O ATOM 171 CB HIS A 11 19.427 6.695 4.092 1.00 10.00 C ATOM 172 CG HIS A 11 18.310 7.328 4.875 1.00 10.27 C ATOM 173 ND1 HIS A 11 18.365 7.474 6.253 1.00 10.64 N ATOM 174 CD2 HIS A 11 17.102 7.858 4.491 1.00 10.49 C ATOM 175 CE1 HIS A 11 17.224 8.071 6.643 1.00 11.05 C ATOM 176 NE2 HIS A 11 16.419 8.327 5.610 1.00 10.99 N ATOM 0 H HIS A 11 21.130 5.995 2.405 1.00 10.17 H new ATOM 0 HA HIS A 11 18.378 6.839 2.217 1.00 9.77 H new ATOM 0 HB2 HIS A 11 19.361 5.609 4.158 1.00 10.00 H new ATOM 0 HB3 HIS A 11 20.390 6.982 4.514 1.00 10.00 H new ATOM 0 HD1 HIS A 11 19.131 7.182 6.860 1.00 10.64 H new ATOM 0 HD2 HIS A 11 16.738 7.904 3.475 1.00 10.49 H new ATOM 0 HE1 HIS A 11 16.988 8.314 7.669 1.00 11.05 H new ATOM 184 N ASP A 12 18.465 9.331 2.058 1.00 8.78 N ATOM 185 CA ASP A 12 18.517 10.824 1.931 1.00 8.41 C ATOM 186 C ASP A 12 17.458 11.455 2.840 1.00 7.70 C ATOM 187 O ASP A 12 17.477 11.286 4.043 1.00 7.84 O ATOM 188 CB ASP A 12 18.239 11.211 0.477 1.00 8.97 C ATOM 189 CG ASP A 12 19.423 10.795 -0.396 1.00 9.57 C ATOM 190 OD1 ASP A 12 20.496 10.599 0.151 1.00 10.08 O ATOM 191 OD2 ASP A 12 19.238 10.679 -1.596 1.00 9.72 O ATOM 0 H ASP A 12 17.595 8.905 1.738 1.00 8.78 H new ATOM 0 HA ASP A 12 19.503 11.183 2.226 1.00 8.41 H new ATOM 0 HB2 ASP A 12 17.328 10.725 0.128 1.00 8.97 H new ATOM 0 HB3 ASP A 12 18.077 12.286 0.400 1.00 8.97 H new ATOM 196 N GLU A 13 16.539 12.191 2.276 1.00 7.20 N ATOM 197 CA GLU A 13 15.487 12.840 3.108 1.00 6.75 C ATOM 198 C GLU A 13 14.692 11.768 3.856 1.00 5.96 C ATOM 199 O GLU A 13 14.376 11.916 5.019 1.00 6.13 O ATOM 200 CB GLU A 13 14.548 13.640 2.196 1.00 7.22 C ATOM 201 CG GLU A 13 13.465 14.330 3.031 1.00 7.84 C ATOM 202 CD GLU A 13 12.542 15.126 2.106 1.00 8.59 C ATOM 203 OE1 GLU A 13 12.868 15.248 0.937 1.00 8.85 O ATOM 204 OE2 GLU A 13 11.527 15.606 2.585 1.00 9.12 O ATOM 0 H GLU A 13 16.472 12.371 1.274 1.00 7.20 H new ATOM 0 HA GLU A 13 15.951 13.510 3.832 1.00 6.75 H new ATOM 0 HB2 GLU A 13 15.117 14.384 1.638 1.00 7.22 H new ATOM 0 HB3 GLU A 13 14.087 12.977 1.464 1.00 7.22 H new ATOM 0 HG2 GLU A 13 12.891 13.589 3.586 1.00 7.84 H new ATOM 0 HG3 GLU A 13 13.923 14.993 3.765 1.00 7.84 H new ATOM 211 N ALA A 14 14.364 10.693 3.195 1.00 5.44 N ATOM 212 CA ALA A 14 13.587 9.616 3.866 1.00 4.96 C ATOM 213 C ALA A 14 13.491 8.407 2.934 1.00 4.30 C ATOM 214 O ALA A 14 13.858 8.473 1.779 1.00 4.43 O ATOM 215 CB ALA A 14 12.180 10.126 4.185 1.00 5.39 C ATOM 0 H ALA A 14 14.601 10.514 2.219 1.00 5.44 H new ATOM 0 HA ALA A 14 14.086 9.327 4.791 1.00 4.96 H new ATOM 0 HB1 ALA A 14 11.610 9.338 4.677 1.00 5.39 H new ATOM 0 HB2 ALA A 14 12.247 10.991 4.845 1.00 5.39 H new ATOM 0 HB3 ALA A 14 11.679 10.414 3.261 1.00 5.39 H new ATOM 221 N VAL A 15 12.994 7.305 3.423 1.00 4.01 N ATOM 222 CA VAL A 15 12.868 6.102 2.556 1.00 3.71 C ATOM 223 C VAL A 15 11.775 6.355 1.516 1.00 3.13 C ATOM 224 O VAL A 15 10.861 7.123 1.742 1.00 3.40 O ATOM 225 CB VAL A 15 12.500 4.886 3.412 1.00 4.37 C ATOM 226 CG1 VAL A 15 11.156 5.129 4.110 1.00 5.04 C ATOM 227 CG2 VAL A 15 12.400 3.646 2.519 1.00 4.89 C ATOM 0 H VAL A 15 12.671 7.186 4.383 1.00 4.01 H new ATOM 0 HA VAL A 15 13.815 5.906 2.054 1.00 3.71 H new ATOM 0 HB VAL A 15 13.271 4.729 4.167 1.00 4.37 H new ATOM 0 HG11 VAL A 15 10.899 4.261 4.717 1.00 5.04 H new ATOM 0 HG12 VAL A 15 11.232 6.009 4.749 1.00 5.04 H new ATOM 0 HG13 VAL A 15 10.381 5.290 3.361 1.00 5.04 H new ATOM 0 HG21 VAL A 15 12.138 2.780 3.127 1.00 4.89 H new ATOM 0 HG22 VAL A 15 11.632 3.804 1.762 1.00 4.89 H new ATOM 0 HG23 VAL A 15 13.359 3.470 2.031 1.00 4.89 H new ATOM 237 N ASP A 16 11.861 5.727 0.377 1.00 2.67 N ATOM 238 CA ASP A 16 10.823 5.953 -0.668 1.00 2.25 C ATOM 239 C ASP A 16 9.547 5.203 -0.289 1.00 2.00 C ATOM 240 O ASP A 16 9.488 3.991 -0.344 1.00 2.47 O ATOM 241 CB ASP A 16 11.335 5.439 -2.016 1.00 2.31 C ATOM 242 CG ASP A 16 12.458 6.347 -2.517 1.00 2.96 C ATOM 243 OD1 ASP A 16 12.519 7.482 -2.074 1.00 3.45 O ATOM 244 OD2 ASP A 16 13.241 5.892 -3.335 1.00 3.42 O ATOM 0 H ASP A 16 12.600 5.071 0.125 1.00 2.67 H new ATOM 0 HA ASP A 16 10.610 7.019 -0.743 1.00 2.25 H new ATOM 0 HB2 ASP A 16 11.699 4.417 -1.913 1.00 2.31 H new ATOM 0 HB3 ASP A 16 10.521 5.416 -2.741 1.00 2.31 H new ATOM 249 N ALA A 17 8.523 5.925 0.090 1.00 1.74 N ATOM 250 CA ALA A 17 7.228 5.284 0.476 1.00 1.64 C ATOM 251 C ALA A 17 6.170 5.628 -0.572 1.00 1.34 C ATOM 252 O ALA A 17 4.996 5.368 -0.394 1.00 1.86 O ATOM 253 CB ALA A 17 6.788 5.822 1.840 1.00 2.03 C ATOM 0 H ALA A 17 8.529 6.943 0.149 1.00 1.74 H new ATOM 0 HA ALA A 17 7.350 4.202 0.533 1.00 1.64 H new ATOM 0 HB1 ALA A 17 5.844 5.358 2.127 1.00 2.03 H new ATOM 0 HB2 ALA A 17 7.548 5.589 2.586 1.00 2.03 H new ATOM 0 HB3 ALA A 17 6.658 6.903 1.780 1.00 2.03 H new ATOM 259 N ASN A 18 6.574 6.216 -1.668 1.00 0.95 N ATOM 260 CA ASN A 18 5.589 6.578 -2.724 1.00 0.77 C ATOM 261 C ASN A 18 4.888 5.314 -3.218 1.00 0.65 C ATOM 262 O ASN A 18 3.695 5.306 -3.454 1.00 1.18 O ATOM 263 CB ASN A 18 6.318 7.241 -3.896 1.00 0.93 C ATOM 264 CG ASN A 18 6.817 8.622 -3.471 1.00 1.47 C ATOM 265 OD1 ASN A 18 7.953 8.974 -3.717 1.00 2.24 O ATOM 266 ND2 ASN A 18 6.007 9.427 -2.840 1.00 1.85 N ATOM 0 H ASN A 18 7.543 6.460 -1.875 1.00 0.95 H new ATOM 0 HA ASN A 18 4.853 7.269 -2.313 1.00 0.77 H new ATOM 0 HB2 ASN A 18 7.157 6.622 -4.214 1.00 0.93 H new ATOM 0 HB3 ASN A 18 5.647 7.332 -4.750 1.00 0.93 H new ATOM 0 HD21 ASN A 18 6.328 10.352 -2.553 1.00 1.85 H new ATOM 0 HD22 ASN A 18 5.053 9.132 -2.633 1.00 1.85 H new ATOM 273 N SER A 19 5.615 4.241 -3.372 1.00 0.49 N ATOM 274 CA SER A 19 4.980 2.983 -3.844 1.00 0.33 C ATOM 275 C SER A 19 3.895 2.563 -2.853 1.00 0.29 C ATOM 276 O SER A 19 2.829 2.125 -3.235 1.00 0.28 O ATOM 277 CB SER A 19 6.036 1.883 -3.942 1.00 0.41 C ATOM 278 OG SER A 19 6.950 2.202 -4.983 1.00 0.80 O ATOM 0 H SER A 19 6.617 4.183 -3.192 1.00 0.49 H new ATOM 0 HA SER A 19 4.535 3.144 -4.826 1.00 0.33 H new ATOM 0 HB2 SER A 19 6.566 1.786 -2.994 1.00 0.41 H new ATOM 0 HB3 SER A 19 5.560 0.923 -4.141 1.00 0.41 H new ATOM 0 HG SER A 19 7.630 1.499 -5.048 1.00 0.80 H new ATOM 284 N LEU A 20 4.152 2.703 -1.577 1.00 0.31 N ATOM 285 CA LEU A 20 3.121 2.320 -0.574 1.00 0.32 C ATOM 286 C LEU A 20 1.975 3.324 -0.649 1.00 0.25 C ATOM 287 O LEU A 20 0.818 2.972 -0.569 1.00 0.23 O ATOM 288 CB LEU A 20 3.722 2.354 0.838 1.00 0.41 C ATOM 289 CG LEU A 20 4.733 1.212 1.018 1.00 0.45 C ATOM 290 CD1 LEU A 20 5.488 1.416 2.336 1.00 0.99 C ATOM 291 CD2 LEU A 20 4.015 -0.153 1.037 1.00 1.09 C ATOM 0 H LEU A 20 5.025 3.063 -1.192 1.00 0.31 H new ATOM 0 HA LEU A 20 2.763 1.312 -0.786 1.00 0.32 H new ATOM 0 HB2 LEU A 20 4.212 3.312 1.008 1.00 0.41 H new ATOM 0 HB3 LEU A 20 2.928 2.266 1.580 1.00 0.41 H new ATOM 0 HG LEU A 20 5.432 1.221 0.182 1.00 0.45 H new ATOM 0 HD11 LEU A 20 6.208 0.609 2.471 1.00 0.99 H new ATOM 0 HD12 LEU A 20 6.013 2.371 2.310 1.00 0.99 H new ATOM 0 HD13 LEU A 20 4.780 1.414 3.165 1.00 0.99 H new ATOM 0 HD21 LEU A 20 4.749 -0.948 1.165 1.00 1.09 H new ATOM 0 HD22 LEU A 20 3.304 -0.179 1.863 1.00 1.09 H new ATOM 0 HD23 LEU A 20 3.484 -0.298 0.096 1.00 1.09 H new ATOM 303 N ALA A 21 2.291 4.580 -0.810 1.00 0.24 N ATOM 304 CA ALA A 21 1.224 5.607 -0.894 1.00 0.22 C ATOM 305 C ALA A 21 0.314 5.299 -2.081 1.00 0.18 C ATOM 306 O ALA A 21 -0.893 5.250 -1.953 1.00 0.19 O ATOM 307 CB ALA A 21 1.859 6.987 -1.077 1.00 0.27 C ATOM 0 H ALA A 21 3.244 4.936 -0.887 1.00 0.24 H new ATOM 0 HA ALA A 21 0.636 5.598 0.024 1.00 0.22 H new ATOM 0 HB1 ALA A 21 1.076 7.743 -1.139 1.00 0.27 H new ATOM 0 HB2 ALA A 21 2.507 7.205 -0.228 1.00 0.27 H new ATOM 0 HB3 ALA A 21 2.447 6.998 -1.995 1.00 0.27 H new ATOM 313 N GLU A 22 0.879 5.087 -3.238 1.00 0.18 N ATOM 314 CA GLU A 22 0.031 4.781 -4.423 1.00 0.19 C ATOM 315 C GLU A 22 -0.770 3.508 -4.152 1.00 0.18 C ATOM 316 O GLU A 22 -1.952 3.438 -4.426 1.00 0.21 O ATOM 317 CB GLU A 22 0.920 4.585 -5.656 1.00 0.24 C ATOM 318 CG GLU A 22 0.050 4.289 -6.882 1.00 0.50 C ATOM 319 CD GLU A 22 0.945 4.095 -8.108 1.00 0.68 C ATOM 320 OE1 GLU A 22 2.128 4.376 -8.005 1.00 1.15 O ATOM 321 OE2 GLU A 22 0.431 3.671 -9.130 1.00 1.27 O ATOM 0 H GLU A 22 1.884 5.112 -3.413 1.00 0.18 H new ATOM 0 HA GLU A 22 -0.654 5.608 -4.608 1.00 0.19 H new ATOM 0 HB2 GLU A 22 1.518 5.480 -5.830 1.00 0.24 H new ATOM 0 HB3 GLU A 22 1.617 3.764 -5.486 1.00 0.24 H new ATOM 0 HG2 GLU A 22 -0.548 3.394 -6.710 1.00 0.50 H new ATOM 0 HG3 GLU A 22 -0.647 5.109 -7.053 1.00 0.50 H new ATOM 328 N ALA A 23 -0.140 2.501 -3.612 1.00 0.18 N ATOM 329 CA ALA A 23 -0.878 1.241 -3.325 1.00 0.19 C ATOM 330 C ALA A 23 -2.017 1.547 -2.354 1.00 0.15 C ATOM 331 O ALA A 23 -3.129 1.090 -2.519 1.00 0.16 O ATOM 332 CB ALA A 23 0.071 0.219 -2.697 1.00 0.23 C ATOM 0 H ALA A 23 0.848 2.497 -3.359 1.00 0.18 H new ATOM 0 HA ALA A 23 -1.280 0.830 -4.251 1.00 0.19 H new ATOM 0 HB1 ALA A 23 -0.473 -0.702 -2.488 1.00 0.23 H new ATOM 0 HB2 ALA A 23 0.888 0.009 -3.387 1.00 0.23 H new ATOM 0 HB3 ALA A 23 0.475 0.621 -1.768 1.00 0.23 H new ATOM 338 N LYS A 24 -1.747 2.327 -1.344 1.00 0.15 N ATOM 339 CA LYS A 24 -2.810 2.674 -0.363 1.00 0.18 C ATOM 340 C LYS A 24 -3.831 3.599 -1.034 1.00 0.19 C ATOM 341 O LYS A 24 -5.022 3.470 -0.834 1.00 0.26 O ATOM 342 CB LYS A 24 -2.171 3.382 0.833 1.00 0.22 C ATOM 343 CG LYS A 24 -1.335 2.376 1.629 1.00 0.21 C ATOM 344 CD LYS A 24 -0.690 3.079 2.824 1.00 0.27 C ATOM 345 CE LYS A 24 0.200 2.090 3.580 1.00 0.53 C ATOM 346 NZ LYS A 24 0.864 2.788 4.717 1.00 1.23 N ATOM 0 H LYS A 24 -0.833 2.739 -1.156 1.00 0.15 H new ATOM 0 HA LYS A 24 -3.315 1.771 -0.021 1.00 0.18 H new ATOM 0 HB2 LYS A 24 -1.543 4.204 0.490 1.00 0.22 H new ATOM 0 HB3 LYS A 24 -2.943 3.815 1.469 1.00 0.22 H new ATOM 0 HG2 LYS A 24 -1.965 1.556 1.973 1.00 0.21 H new ATOM 0 HG3 LYS A 24 -0.566 1.941 0.991 1.00 0.21 H new ATOM 0 HD2 LYS A 24 -0.099 3.929 2.483 1.00 0.27 H new ATOM 0 HD3 LYS A 24 -1.460 3.472 3.488 1.00 0.27 H new ATOM 0 HE2 LYS A 24 -0.397 1.256 3.950 1.00 0.53 H new ATOM 0 HE3 LYS A 24 0.950 1.672 2.908 1.00 0.53 H new ATOM 0 HZ1 LYS A 24 1.728 2.273 4.984 1.00 1.23 H new ATOM 0 HZ2 LYS A 24 1.112 3.757 4.432 1.00 1.23 H new ATOM 0 HZ3 LYS A 24 0.216 2.821 5.530 1.00 1.23 H new ATOM 360 N VAL A 25 -3.377 4.527 -1.838 1.00 0.19 N ATOM 361 CA VAL A 25 -4.330 5.446 -2.524 1.00 0.23 C ATOM 362 C VAL A 25 -5.164 4.647 -3.516 1.00 0.24 C ATOM 363 O VAL A 25 -6.369 4.678 -3.480 1.00 0.27 O ATOM 364 CB VAL A 25 -3.549 6.537 -3.266 1.00 0.27 C ATOM 365 CG1 VAL A 25 -4.503 7.347 -4.151 1.00 0.34 C ATOM 366 CG2 VAL A 25 -2.874 7.471 -2.251 1.00 0.29 C ATOM 0 H VAL A 25 -2.391 4.686 -2.047 1.00 0.19 H new ATOM 0 HA VAL A 25 -4.984 5.914 -1.788 1.00 0.23 H new ATOM 0 HB VAL A 25 -2.788 6.069 -3.890 1.00 0.27 H new ATOM 0 HG11 VAL A 25 -3.943 8.121 -4.676 1.00 0.34 H new ATOM 0 HG12 VAL A 25 -4.976 6.685 -4.877 1.00 0.34 H new ATOM 0 HG13 VAL A 25 -5.269 7.811 -3.530 1.00 0.34 H new ATOM 0 HG21 VAL A 25 -2.320 8.245 -2.782 1.00 0.29 H new ATOM 0 HG22 VAL A 25 -3.634 7.935 -1.622 1.00 0.29 H new ATOM 0 HG23 VAL A 25 -2.189 6.897 -1.628 1.00 0.29 H new ATOM 376 N LEU A 26 -4.549 3.906 -4.386 1.00 0.22 N ATOM 377 CA LEU A 26 -5.359 3.123 -5.351 1.00 0.25 C ATOM 378 C LEU A 26 -6.284 2.202 -4.559 1.00 0.23 C ATOM 379 O LEU A 26 -7.440 2.028 -4.895 1.00 0.28 O ATOM 380 CB LEU A 26 -4.438 2.287 -6.248 1.00 0.26 C ATOM 381 CG LEU A 26 -3.659 3.196 -7.210 1.00 0.31 C ATOM 382 CD1 LEU A 26 -2.635 2.347 -7.976 1.00 0.73 C ATOM 383 CD2 LEU A 26 -4.619 3.878 -8.208 1.00 0.78 C ATOM 0 H LEU A 26 -3.537 3.808 -4.472 1.00 0.22 H new ATOM 0 HA LEU A 26 -5.943 3.793 -5.982 1.00 0.25 H new ATOM 0 HB2 LEU A 26 -3.742 1.716 -5.634 1.00 0.26 H new ATOM 0 HB3 LEU A 26 -5.028 1.567 -6.815 1.00 0.26 H new ATOM 0 HG LEU A 26 -3.150 3.971 -6.638 1.00 0.31 H new ATOM 0 HD11 LEU A 26 -2.076 2.983 -8.662 1.00 0.73 H new ATOM 0 HD12 LEU A 26 -1.947 1.882 -7.270 1.00 0.73 H new ATOM 0 HD13 LEU A 26 -3.154 1.572 -8.540 1.00 0.73 H new ATOM 0 HD21 LEU A 26 -4.049 4.518 -8.882 1.00 0.78 H new ATOM 0 HD22 LEU A 26 -5.143 3.117 -8.787 1.00 0.78 H new ATOM 0 HD23 LEU A 26 -5.344 4.481 -7.661 1.00 0.78 H new ATOM 395 N ALA A 27 -5.795 1.627 -3.498 1.00 0.18 N ATOM 396 CA ALA A 27 -6.655 0.739 -2.675 1.00 0.18 C ATOM 397 C ALA A 27 -7.680 1.589 -1.911 1.00 0.16 C ATOM 398 O ALA A 27 -8.873 1.429 -2.067 1.00 0.19 O ATOM 399 CB ALA A 27 -5.782 -0.030 -1.681 1.00 0.20 C ATOM 0 H ALA A 27 -4.837 1.734 -3.166 1.00 0.18 H new ATOM 0 HA ALA A 27 -7.179 0.033 -3.320 1.00 0.18 H new ATOM 0 HB1 ALA A 27 -6.410 -0.683 -1.075 1.00 0.20 H new ATOM 0 HB2 ALA A 27 -5.053 -0.630 -2.225 1.00 0.20 H new ATOM 0 HB3 ALA A 27 -5.260 0.675 -1.034 1.00 0.20 H new ATOM 405 N ASN A 28 -7.217 2.491 -1.084 1.00 0.15 N ATOM 406 CA ASN A 28 -8.148 3.359 -0.296 1.00 0.14 C ATOM 407 C ASN A 28 -9.037 4.189 -1.228 1.00 0.15 C ATOM 408 O ASN A 28 -10.216 4.359 -0.986 1.00 0.18 O ATOM 409 CB ASN A 28 -7.328 4.302 0.586 1.00 0.15 C ATOM 410 CG ASN A 28 -8.271 5.194 1.396 1.00 0.17 C ATOM 411 OD1 ASN A 28 -9.467 5.179 1.188 1.00 0.22 O ATOM 412 ND2 ASN A 28 -7.779 5.978 2.315 1.00 0.22 N ATOM 0 H ASN A 28 -6.226 2.666 -0.919 1.00 0.15 H new ATOM 0 HA ASN A 28 -8.784 2.722 0.318 1.00 0.14 H new ATOM 0 HB2 ASN A 28 -6.690 3.727 1.256 1.00 0.15 H new ATOM 0 HB3 ASN A 28 -6.671 4.915 -0.031 1.00 0.15 H new ATOM 0 HD21 ASN A 28 -8.399 6.578 2.859 1.00 0.22 H new ATOM 0 HD22 ASN A 28 -6.774 5.991 2.490 1.00 0.22 H new ATOM 419 N ARG A 29 -8.481 4.721 -2.280 1.00 0.18 N ATOM 420 CA ARG A 29 -9.288 5.556 -3.216 1.00 0.22 C ATOM 421 C ARG A 29 -10.434 4.717 -3.794 1.00 0.19 C ATOM 422 O ARG A 29 -11.536 5.196 -3.971 1.00 0.21 O ATOM 423 CB ARG A 29 -8.386 6.071 -4.348 1.00 0.31 C ATOM 424 CG ARG A 29 -9.129 7.097 -5.216 1.00 1.18 C ATOM 425 CD ARG A 29 -9.009 8.501 -4.602 1.00 1.46 C ATOM 426 NE ARG A 29 -10.206 9.321 -4.979 1.00 2.22 N ATOM 427 CZ ARG A 29 -10.586 9.432 -6.224 1.00 2.79 C ATOM 428 NH1 ARG A 29 -9.822 9.001 -7.191 1.00 2.95 N ATOM 429 NH2 ARG A 29 -11.710 10.031 -6.506 1.00 3.73 N ATOM 0 H ARG A 29 -7.499 4.614 -2.534 1.00 0.18 H new ATOM 0 HA ARG A 29 -9.708 6.407 -2.680 1.00 0.22 H new ATOM 0 HB2 ARG A 29 -7.490 6.526 -3.926 1.00 0.31 H new ATOM 0 HB3 ARG A 29 -8.058 5.235 -4.966 1.00 0.31 H new ATOM 0 HG2 ARG A 29 -8.716 7.097 -6.225 1.00 1.18 H new ATOM 0 HG3 ARG A 29 -10.179 6.819 -5.302 1.00 1.18 H new ATOM 0 HD2 ARG A 29 -8.933 8.429 -3.517 1.00 1.46 H new ATOM 0 HD3 ARG A 29 -8.098 8.986 -4.954 1.00 1.46 H new ATOM 0 HE ARG A 29 -10.734 9.801 -4.250 1.00 2.22 H new ATOM 0 HH11 ARG A 29 -8.921 8.574 -6.977 1.00 2.95 H new ATOM 0 HH12 ARG A 29 -10.126 9.092 -8.160 1.00 2.95 H new ATOM 0 HH21 ARG A 29 -12.288 10.410 -5.756 1.00 3.73 H new ATOM 0 HH22 ARG A 29 -12.011 10.120 -7.477 1.00 3.73 H new ATOM 443 N GLU A 30 -10.187 3.473 -4.097 1.00 0.21 N ATOM 444 CA GLU A 30 -11.270 2.621 -4.669 1.00 0.28 C ATOM 445 C GLU A 30 -12.435 2.538 -3.676 1.00 0.27 C ATOM 446 O GLU A 30 -13.588 2.589 -4.055 1.00 0.33 O ATOM 447 CB GLU A 30 -10.716 1.217 -4.930 1.00 0.37 C ATOM 448 CG GLU A 30 -11.779 0.346 -5.608 1.00 0.60 C ATOM 449 CD GLU A 30 -12.096 0.908 -6.995 1.00 0.64 C ATOM 450 OE1 GLU A 30 -11.297 1.682 -7.495 1.00 1.39 O ATOM 451 OE2 GLU A 30 -13.132 0.554 -7.533 1.00 1.33 O ATOM 0 H GLU A 30 -9.287 3.010 -3.974 1.00 0.21 H new ATOM 0 HA GLU A 30 -11.626 3.055 -5.603 1.00 0.28 H new ATOM 0 HB2 GLU A 30 -9.830 1.279 -5.561 1.00 0.37 H new ATOM 0 HB3 GLU A 30 -10.406 0.760 -3.990 1.00 0.37 H new ATOM 0 HG2 GLU A 30 -11.422 -0.680 -5.693 1.00 0.60 H new ATOM 0 HG3 GLU A 30 -12.683 0.319 -5.000 1.00 0.60 H new ATOM 458 N LEU A 31 -12.146 2.417 -2.411 1.00 0.23 N ATOM 459 CA LEU A 31 -13.240 2.338 -1.396 1.00 0.28 C ATOM 460 C LEU A 31 -14.005 3.658 -1.403 1.00 0.32 C ATOM 461 O LEU A 31 -15.214 3.701 -1.286 1.00 0.43 O ATOM 462 CB LEU A 31 -12.634 2.127 -0.008 1.00 0.26 C ATOM 463 CG LEU A 31 -11.576 1.032 -0.083 1.00 0.25 C ATOM 464 CD1 LEU A 31 -11.085 0.703 1.331 1.00 0.27 C ATOM 465 CD2 LEU A 31 -12.168 -0.227 -0.736 1.00 0.33 C ATOM 0 H LEU A 31 -11.200 2.369 -2.033 1.00 0.23 H new ATOM 0 HA LEU A 31 -13.906 1.509 -1.634 1.00 0.28 H new ATOM 0 HB2 LEU A 31 -12.189 3.055 0.352 1.00 0.26 H new ATOM 0 HB3 LEU A 31 -13.412 1.849 0.703 1.00 0.26 H new ATOM 0 HG LEU A 31 -10.738 1.380 -0.687 1.00 0.25 H new ATOM 0 HD11 LEU A 31 -10.328 -0.080 1.280 1.00 0.27 H new ATOM 0 HD12 LEU A 31 -10.654 1.596 1.783 1.00 0.27 H new ATOM 0 HD13 LEU A 31 -11.923 0.359 1.936 1.00 0.27 H new ATOM 0 HD21 LEU A 31 -11.405 -1.004 -0.786 1.00 0.33 H new ATOM 0 HD22 LEU A 31 -13.010 -0.583 -0.143 1.00 0.33 H new ATOM 0 HD23 LEU A 31 -12.509 0.012 -1.743 1.00 0.33 H new ATOM 477 N ASP A 32 -13.287 4.732 -1.534 1.00 0.28 N ATOM 478 CA ASP A 32 -13.916 6.075 -1.545 1.00 0.35 C ATOM 479 C ASP A 32 -14.904 6.164 -2.708 1.00 0.42 C ATOM 480 O ASP A 32 -15.972 6.731 -2.583 1.00 0.54 O ATOM 481 CB ASP A 32 -12.816 7.123 -1.704 1.00 0.38 C ATOM 482 CG ASP A 32 -13.428 8.526 -1.721 1.00 0.54 C ATOM 483 OD1 ASP A 32 -14.632 8.626 -1.888 1.00 1.12 O ATOM 484 OD2 ASP A 32 -12.680 9.478 -1.567 1.00 1.14 O ATOM 0 H ASP A 32 -12.272 4.736 -1.636 1.00 0.28 H new ATOM 0 HA ASP A 32 -14.456 6.250 -0.615 1.00 0.35 H new ATOM 0 HB2 ASP A 32 -12.101 7.039 -0.885 1.00 0.38 H new ATOM 0 HB3 ASP A 32 -12.265 6.946 -2.628 1.00 0.38 H new ATOM 489 N LYS A 33 -14.563 5.613 -3.841 1.00 0.38 N ATOM 490 CA LYS A 33 -15.496 5.679 -5.001 1.00 0.46 C ATOM 491 C LYS A 33 -16.814 5.003 -4.612 1.00 0.42 C ATOM 492 O LYS A 33 -17.883 5.543 -4.821 1.00 0.46 O ATOM 493 CB LYS A 33 -14.872 4.948 -6.194 1.00 0.58 C ATOM 494 CG LYS A 33 -15.702 5.216 -7.451 1.00 0.74 C ATOM 495 CD LYS A 33 -15.213 4.322 -8.596 1.00 1.34 C ATOM 496 CE LYS A 33 -13.733 4.595 -8.887 1.00 1.16 C ATOM 497 NZ LYS A 33 -13.458 6.056 -8.782 1.00 1.78 N ATOM 0 H LYS A 33 -13.685 5.123 -4.013 1.00 0.38 H new ATOM 0 HA LYS A 33 -15.682 6.717 -5.275 1.00 0.46 H new ATOM 0 HB2 LYS A 33 -13.846 5.285 -6.344 1.00 0.58 H new ATOM 0 HB3 LYS A 33 -14.829 3.877 -5.996 1.00 0.58 H new ATOM 0 HG2 LYS A 33 -16.756 5.022 -7.250 1.00 0.74 H new ATOM 0 HG3 LYS A 33 -15.620 6.265 -7.736 1.00 0.74 H new ATOM 0 HD2 LYS A 33 -15.352 3.273 -8.333 1.00 1.34 H new ATOM 0 HD3 LYS A 33 -15.807 4.507 -9.491 1.00 1.34 H new ATOM 0 HE2 LYS A 33 -13.107 4.047 -8.183 1.00 1.16 H new ATOM 0 HE3 LYS A 33 -13.478 4.239 -9.885 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 -12.572 6.279 -9.278 1.00 1.78 H new ATOM 0 HZ2 LYS A 33 -14.240 6.588 -9.214 1.00 1.78 H new ATOM 0 HZ3 LYS A 33 -13.370 6.322 -7.780 1.00 1.78 H new ATOM 511 N TYR A 34 -16.751 3.835 -4.030 1.00 0.36 N ATOM 512 CA TYR A 34 -18.005 3.144 -3.609 1.00 0.37 C ATOM 513 C TYR A 34 -18.629 3.892 -2.427 1.00 0.33 C ATOM 514 O TYR A 34 -19.832 3.908 -2.256 1.00 0.55 O ATOM 515 CB TYR A 34 -17.694 1.702 -3.201 1.00 0.40 C ATOM 516 CG TYR A 34 -17.331 0.899 -4.428 1.00 0.59 C ATOM 517 CD1 TYR A 34 -18.335 0.506 -5.321 1.00 1.10 C ATOM 518 CD2 TYR A 34 -15.999 0.547 -4.674 1.00 1.03 C ATOM 519 CE1 TYR A 34 -18.007 -0.239 -6.461 1.00 1.25 C ATOM 520 CE2 TYR A 34 -15.670 -0.197 -5.814 1.00 1.16 C ATOM 521 CZ TYR A 34 -16.674 -0.591 -6.706 1.00 0.99 C ATOM 522 OH TYR A 34 -16.351 -1.324 -7.830 1.00 1.20 O ATOM 0 H TYR A 34 -15.888 3.330 -3.828 1.00 0.36 H new ATOM 0 HA TYR A 34 -18.707 3.134 -4.443 1.00 0.37 H new ATOM 0 HB2 TYR A 34 -16.872 1.684 -2.485 1.00 0.40 H new ATOM 0 HB3 TYR A 34 -18.558 1.259 -2.705 1.00 0.40 H new ATOM 0 HD1 TYR A 34 -19.363 0.777 -5.131 1.00 1.10 H new ATOM 0 HD2 TYR A 34 -15.225 0.849 -3.985 1.00 1.03 H new ATOM 0 HE1 TYR A 34 -18.781 -0.542 -7.150 1.00 1.25 H new ATOM 0 HE2 TYR A 34 -14.642 -0.467 -6.005 1.00 1.16 H new ATOM 0 HH TYR A 34 -15.384 -1.482 -7.851 1.00 1.20 H new ATOM 532 N GLY A 35 -17.819 4.512 -1.607 1.00 0.24 N ATOM 533 CA GLY A 35 -18.358 5.260 -0.430 1.00 0.31 C ATOM 534 C GLY A 35 -18.388 4.347 0.799 1.00 0.31 C ATOM 535 O GLY A 35 -19.091 4.603 1.757 1.00 0.36 O ATOM 0 H GLY A 35 -16.804 4.533 -1.702 1.00 0.24 H new ATOM 0 HA2 GLY A 35 -17.739 6.134 -0.229 1.00 0.31 H new ATOM 0 HA3 GLY A 35 -19.362 5.624 -0.648 1.00 0.31 H new ATOM 539 N VAL A 36 -17.627 3.286 0.783 1.00 0.33 N ATOM 540 CA VAL A 36 -17.609 2.362 1.956 1.00 0.38 C ATOM 541 C VAL A 36 -17.278 3.158 3.226 1.00 0.42 C ATOM 542 O VAL A 36 -16.905 4.314 3.167 1.00 0.45 O ATOM 543 CB VAL A 36 -16.554 1.260 1.735 1.00 0.41 C ATOM 544 CG1 VAL A 36 -16.920 0.013 2.549 1.00 0.71 C ATOM 545 CG2 VAL A 36 -16.504 0.891 0.249 1.00 0.66 C ATOM 0 H VAL A 36 -17.017 3.018 0.010 1.00 0.33 H new ATOM 0 HA VAL A 36 -18.588 1.896 2.068 1.00 0.38 H new ATOM 0 HB VAL A 36 -15.581 1.631 2.058 1.00 0.41 H new ATOM 0 HG11 VAL A 36 -16.169 -0.761 2.387 1.00 0.71 H new ATOM 0 HG12 VAL A 36 -16.956 0.268 3.608 1.00 0.71 H new ATOM 0 HG13 VAL A 36 -17.895 -0.356 2.231 1.00 0.71 H new ATOM 0 HG21 VAL A 36 -15.758 0.112 0.092 1.00 0.66 H new ATOM 0 HG22 VAL A 36 -17.481 0.527 -0.069 1.00 0.66 H new ATOM 0 HG23 VAL A 36 -16.237 1.771 -0.336 1.00 0.66 H new ATOM 555 N SER A 37 -17.414 2.548 4.372 1.00 0.55 N ATOM 556 CA SER A 37 -17.115 3.262 5.647 1.00 0.64 C ATOM 557 C SER A 37 -15.654 3.719 5.656 1.00 0.50 C ATOM 558 O SER A 37 -14.767 3.017 5.212 1.00 0.93 O ATOM 559 CB SER A 37 -17.361 2.321 6.827 1.00 0.96 C ATOM 560 OG SER A 37 -17.075 3.006 8.040 1.00 1.56 O ATOM 0 H SER A 37 -17.721 1.581 4.481 1.00 0.55 H new ATOM 0 HA SER A 37 -17.765 4.133 5.732 1.00 0.64 H new ATOM 0 HB2 SER A 37 -18.396 1.978 6.824 1.00 0.96 H new ATOM 0 HB3 SER A 37 -16.732 1.435 6.739 1.00 0.96 H new ATOM 0 HG SER A 37 -17.233 2.407 8.799 1.00 1.56 H new ATOM 566 N ASP A 38 -15.401 4.899 6.156 1.00 0.43 N ATOM 567 CA ASP A 38 -14.004 5.422 6.195 1.00 0.37 C ATOM 568 C ASP A 38 -13.146 4.543 7.107 1.00 0.54 C ATOM 569 O ASP A 38 -11.934 4.625 7.102 1.00 1.41 O ATOM 570 CB ASP A 38 -14.013 6.854 6.732 1.00 0.53 C ATOM 571 CG ASP A 38 -14.648 7.786 5.699 1.00 1.52 C ATOM 572 OD1 ASP A 38 -14.697 7.408 4.540 1.00 2.35 O ATOM 573 OD2 ASP A 38 -15.075 8.862 6.084 1.00 2.16 O ATOM 0 H ASP A 38 -16.106 5.527 6.541 1.00 0.43 H new ATOM 0 HA ASP A 38 -13.587 5.410 5.188 1.00 0.37 H new ATOM 0 HB2 ASP A 38 -14.570 6.899 7.668 1.00 0.53 H new ATOM 0 HB3 ASP A 38 -12.995 7.177 6.951 1.00 0.53 H new ATOM 578 N TYR A 39 -13.763 3.706 7.894 1.00 0.42 N ATOM 579 CA TYR A 39 -12.980 2.827 8.808 1.00 0.33 C ATOM 580 C TYR A 39 -12.038 1.933 7.994 1.00 0.25 C ATOM 581 O TYR A 39 -10.864 1.828 8.285 1.00 0.26 O ATOM 582 CB TYR A 39 -13.946 1.959 9.619 1.00 0.44 C ATOM 583 CG TYR A 39 -13.165 0.955 10.433 1.00 0.57 C ATOM 584 CD1 TYR A 39 -12.742 1.277 11.728 1.00 1.35 C ATOM 585 CD2 TYR A 39 -12.868 -0.298 9.889 1.00 1.19 C ATOM 586 CE1 TYR A 39 -12.019 0.342 12.479 1.00 1.51 C ATOM 587 CE2 TYR A 39 -12.146 -1.233 10.637 1.00 1.30 C ATOM 588 CZ TYR A 39 -11.720 -0.913 11.932 1.00 1.02 C ATOM 589 OH TYR A 39 -11.008 -1.836 12.672 1.00 1.27 O ATOM 0 H TYR A 39 -14.775 3.592 7.944 1.00 0.42 H new ATOM 0 HA TYR A 39 -12.385 3.442 9.483 1.00 0.33 H new ATOM 0 HB2 TYR A 39 -14.549 2.585 10.277 1.00 0.44 H new ATOM 0 HB3 TYR A 39 -14.635 1.443 8.951 1.00 0.44 H new ATOM 0 HD1 TYR A 39 -12.973 2.245 12.147 1.00 1.35 H new ATOM 0 HD2 TYR A 39 -13.197 -0.544 8.890 1.00 1.19 H new ATOM 0 HE1 TYR A 39 -11.692 0.588 13.479 1.00 1.51 H new ATOM 0 HE2 TYR A 39 -11.917 -2.201 10.216 1.00 1.30 H new ATOM 0 HH TYR A 39 -10.887 -2.654 12.146 1.00 1.27 H new ATOM 599 N TYR A 40 -12.540 1.280 6.984 1.00 0.25 N ATOM 600 CA TYR A 40 -11.669 0.390 6.165 1.00 0.23 C ATOM 601 C TYR A 40 -10.534 1.212 5.549 1.00 0.19 C ATOM 602 O TYR A 40 -9.405 0.771 5.474 1.00 0.19 O ATOM 603 CB TYR A 40 -12.492 -0.245 5.042 1.00 0.29 C ATOM 604 CG TYR A 40 -13.616 -1.056 5.637 1.00 0.29 C ATOM 605 CD1 TYR A 40 -13.371 -2.342 6.133 1.00 0.80 C ATOM 606 CD2 TYR A 40 -14.910 -0.521 5.688 1.00 0.66 C ATOM 607 CE1 TYR A 40 -14.419 -3.092 6.681 1.00 0.94 C ATOM 608 CE2 TYR A 40 -15.956 -1.271 6.234 1.00 0.76 C ATOM 609 CZ TYR A 40 -15.711 -2.556 6.731 1.00 0.70 C ATOM 610 OH TYR A 40 -16.745 -3.295 7.271 1.00 0.93 O ATOM 0 H TYR A 40 -13.516 1.324 6.690 1.00 0.25 H new ATOM 0 HA TYR A 40 -11.255 -0.391 6.803 1.00 0.23 H new ATOM 0 HB2 TYR A 40 -12.895 0.530 4.389 1.00 0.29 H new ATOM 0 HB3 TYR A 40 -11.856 -0.882 4.427 1.00 0.29 H new ATOM 0 HD1 TYR A 40 -12.374 -2.756 6.093 1.00 0.80 H new ATOM 0 HD2 TYR A 40 -15.099 0.471 5.305 1.00 0.66 H new ATOM 0 HE1 TYR A 40 -14.230 -4.084 7.065 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -16.953 -0.858 6.272 1.00 0.76 H new ATOM 0 HH TYR A 40 -17.575 -2.775 7.229 1.00 0.93 H new ATOM 620 N LYS A 41 -10.826 2.404 5.105 1.00 0.18 N ATOM 621 CA LYS A 41 -9.769 3.252 4.497 1.00 0.17 C ATOM 622 C LYS A 41 -8.702 3.479 5.547 1.00 0.16 C ATOM 623 O LYS A 41 -7.519 3.396 5.294 1.00 0.17 O ATOM 624 CB LYS A 41 -10.378 4.594 4.113 1.00 0.22 C ATOM 625 CG LYS A 41 -11.506 4.357 3.118 1.00 0.79 C ATOM 626 CD LYS A 41 -12.139 5.694 2.715 1.00 1.17 C ATOM 627 CE LYS A 41 -13.551 5.441 2.196 1.00 1.68 C ATOM 628 NZ LYS A 41 -14.186 6.732 1.808 1.00 2.14 N ATOM 0 H LYS A 41 -11.754 2.826 5.138 1.00 0.18 H new ATOM 0 HA LYS A 41 -9.346 2.774 3.613 1.00 0.17 H new ATOM 0 HB2 LYS A 41 -10.758 5.103 4.999 1.00 0.22 H new ATOM 0 HB3 LYS A 41 -9.618 5.241 3.675 1.00 0.22 H new ATOM 0 HG2 LYS A 41 -11.122 3.846 2.235 1.00 0.79 H new ATOM 0 HG3 LYS A 41 -12.261 3.706 3.560 1.00 0.79 H new ATOM 0 HD2 LYS A 41 -12.168 6.369 3.570 1.00 1.17 H new ATOM 0 HD3 LYS A 41 -11.537 6.179 1.946 1.00 1.17 H new ATOM 0 HE2 LYS A 41 -13.518 4.769 1.338 1.00 1.68 H new ATOM 0 HE3 LYS A 41 -14.147 4.948 2.964 1.00 1.68 H new ATOM 0 HZ1 LYS A 41 -15.091 6.544 1.331 1.00 2.14 H new ATOM 0 HZ2 LYS A 41 -14.356 7.305 2.659 1.00 2.14 H new ATOM 0 HZ3 LYS A 41 -13.555 7.249 1.163 1.00 2.14 H new ATOM 642 N ASN A 42 -9.132 3.759 6.738 1.00 0.19 N ATOM 643 CA ASN A 42 -8.165 3.988 7.840 1.00 0.21 C ATOM 644 C ASN A 42 -7.325 2.721 8.038 1.00 0.18 C ATOM 645 O ASN A 42 -6.131 2.781 8.262 1.00 0.19 O ATOM 646 CB ASN A 42 -8.915 4.324 9.130 1.00 0.25 C ATOM 647 CG ASN A 42 -9.545 5.713 9.003 1.00 0.32 C ATOM 648 OD1 ASN A 42 -10.681 5.915 9.385 1.00 1.12 O ATOM 649 ND2 ASN A 42 -8.853 6.686 8.475 1.00 1.16 N ATOM 0 H ASN A 42 -10.115 3.840 6.998 1.00 0.19 H new ATOM 0 HA ASN A 42 -7.513 4.824 7.588 1.00 0.21 H new ATOM 0 HB2 ASN A 42 -9.687 3.578 9.320 1.00 0.25 H new ATOM 0 HB3 ASN A 42 -8.231 4.299 9.979 1.00 0.25 H new ATOM 0 HD21 ASN A 42 -9.266 7.614 8.384 1.00 1.16 H new ATOM 0 HD22 ASN A 42 -7.900 6.518 8.154 1.00 1.16 H new ATOM 656 N LEU A 43 -7.944 1.574 7.947 1.00 0.16 N ATOM 657 CA LEU A 43 -7.194 0.296 8.119 1.00 0.16 C ATOM 658 C LEU A 43 -6.099 0.212 7.052 1.00 0.14 C ATOM 659 O LEU A 43 -4.995 -0.221 7.316 1.00 0.17 O ATOM 660 CB LEU A 43 -8.162 -0.885 7.976 1.00 0.17 C ATOM 661 CG LEU A 43 -7.422 -2.222 8.146 1.00 0.20 C ATOM 662 CD1 LEU A 43 -6.782 -2.313 9.540 1.00 0.63 C ATOM 663 CD2 LEU A 43 -8.423 -3.371 7.967 1.00 0.63 C ATOM 0 H LEU A 43 -8.941 1.467 7.760 1.00 0.16 H new ATOM 0 HA LEU A 43 -6.737 0.261 9.108 1.00 0.16 H new ATOM 0 HB2 LEU A 43 -8.953 -0.805 8.722 1.00 0.17 H new ATOM 0 HB3 LEU A 43 -8.641 -0.852 6.998 1.00 0.17 H new ATOM 0 HG LEU A 43 -6.633 -2.290 7.397 1.00 0.20 H new ATOM 0 HD11 LEU A 43 -6.263 -3.266 9.641 1.00 0.63 H new ATOM 0 HD12 LEU A 43 -6.070 -1.497 9.668 1.00 0.63 H new ATOM 0 HD13 LEU A 43 -7.558 -2.240 10.302 1.00 0.63 H new ATOM 0 HD21 LEU A 43 -7.908 -4.324 8.086 1.00 0.63 H new ATOM 0 HD22 LEU A 43 -9.210 -3.288 8.717 1.00 0.63 H new ATOM 0 HD23 LEU A 43 -8.863 -3.318 6.971 1.00 0.63 H new ATOM 675 N ILE A 44 -6.392 0.631 5.851 1.00 0.13 N ATOM 676 CA ILE A 44 -5.363 0.582 4.772 1.00 0.13 C ATOM 677 C ILE A 44 -4.172 1.442 5.203 1.00 0.14 C ATOM 678 O ILE A 44 -3.027 1.094 4.990 1.00 0.15 O ATOM 679 CB ILE A 44 -5.956 1.162 3.480 1.00 0.16 C ATOM 680 CG1 ILE A 44 -7.089 0.250 2.951 1.00 0.33 C ATOM 681 CG2 ILE A 44 -4.849 1.311 2.426 1.00 0.14 C ATOM 682 CD1 ILE A 44 -6.528 -0.885 2.083 1.00 0.38 C ATOM 0 H ILE A 44 -7.298 1.005 5.570 1.00 0.13 H new ATOM 0 HA ILE A 44 -5.048 -0.447 4.599 1.00 0.13 H new ATOM 0 HB ILE A 44 -6.379 2.144 3.691 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -7.643 -0.170 3.790 1.00 0.33 H new ATOM 0 HG13 ILE A 44 -7.794 0.843 2.368 1.00 0.33 H new ATOM 0 HG21 ILE A 44 -5.272 1.723 1.510 1.00 0.14 H new ATOM 0 HG22 ILE A 44 -4.076 1.981 2.802 1.00 0.14 H new ATOM 0 HG23 ILE A 44 -4.412 0.335 2.217 1.00 0.14 H new ATOM 0 HD11 ILE A 44 -7.347 -1.509 1.726 1.00 0.38 H new ATOM 0 HD12 ILE A 44 -5.996 -0.462 1.231 1.00 0.38 H new ATOM 0 HD13 ILE A 44 -5.842 -1.491 2.675 1.00 0.38 H new ATOM 694 N ASN A 45 -4.443 2.565 5.805 1.00 0.15 N ATOM 695 CA ASN A 45 -3.346 3.465 6.257 1.00 0.19 C ATOM 696 C ASN A 45 -2.423 2.715 7.223 1.00 0.20 C ATOM 697 O ASN A 45 -1.236 2.969 7.282 1.00 0.28 O ATOM 698 CB ASN A 45 -3.953 4.673 6.973 1.00 0.22 C ATOM 699 CG ASN A 45 -2.863 5.717 7.223 1.00 0.65 C ATOM 700 OD1 ASN A 45 -2.132 6.076 6.322 1.00 1.46 O ATOM 701 ND2 ASN A 45 -2.722 6.222 8.419 1.00 0.94 N ATOM 0 H ASN A 45 -5.385 2.901 6.005 1.00 0.15 H new ATOM 0 HA ASN A 45 -2.769 3.796 5.393 1.00 0.19 H new ATOM 0 HB2 ASN A 45 -4.752 5.103 6.370 1.00 0.22 H new ATOM 0 HB3 ASN A 45 -4.399 4.363 7.918 1.00 0.22 H new ATOM 0 HD21 ASN A 45 -1.998 6.918 8.597 1.00 0.94 H new ATOM 0 HD22 ASN A 45 -3.336 5.920 9.176 1.00 0.94 H new ATOM 708 N ASN A 46 -2.958 1.803 7.991 1.00 0.17 N ATOM 709 CA ASN A 46 -2.116 1.047 8.967 1.00 0.22 C ATOM 710 C ASN A 46 -1.535 -0.206 8.307 1.00 0.24 C ATOM 711 O ASN A 46 -0.862 -0.994 8.941 1.00 0.27 O ATOM 712 CB ASN A 46 -2.981 0.634 10.160 1.00 0.24 C ATOM 713 CG ASN A 46 -3.367 1.874 10.966 1.00 0.41 C ATOM 714 OD1 ASN A 46 -4.510 2.037 11.341 1.00 1.10 O ATOM 715 ND2 ASN A 46 -2.454 2.762 11.249 1.00 1.22 N ATOM 0 H ASN A 46 -3.945 1.548 7.985 1.00 0.17 H new ATOM 0 HA ASN A 46 -1.297 1.684 9.300 1.00 0.22 H new ATOM 0 HB2 ASN A 46 -3.877 0.120 9.812 1.00 0.24 H new ATOM 0 HB3 ASN A 46 -2.436 -0.068 10.792 1.00 0.24 H new ATOM 0 HD21 ASN A 46 -2.700 3.594 11.786 1.00 1.22 H new ATOM 0 HD22 ASN A 46 -1.494 2.625 10.934 1.00 1.22 H new ATOM 722 N ALA A 47 -1.792 -0.405 7.043 1.00 0.24 N ATOM 723 CA ALA A 47 -1.254 -1.617 6.359 1.00 0.30 C ATOM 724 C ALA A 47 0.277 -1.610 6.431 1.00 0.51 C ATOM 725 O ALA A 47 0.912 -0.583 6.294 1.00 1.49 O ATOM 726 CB ALA A 47 -1.701 -1.617 4.896 1.00 0.21 C ATOM 0 H ALA A 47 -2.349 0.216 6.456 1.00 0.24 H new ATOM 0 HA ALA A 47 -1.633 -2.512 6.853 1.00 0.30 H new ATOM 0 HB1 ALA A 47 -1.308 -2.502 4.396 1.00 0.21 H new ATOM 0 HB2 ALA A 47 -2.790 -1.626 4.848 1.00 0.21 H new ATOM 0 HB3 ALA A 47 -1.324 -0.723 4.400 1.00 0.21 H new ATOM 732 N LYS A 48 0.869 -2.751 6.664 1.00 0.60 N ATOM 733 CA LYS A 48 2.357 -2.824 6.769 1.00 0.53 C ATOM 734 C LYS A 48 2.995 -3.045 5.392 1.00 0.42 C ATOM 735 O LYS A 48 4.145 -2.713 5.179 1.00 0.51 O ATOM 736 CB LYS A 48 2.731 -3.988 7.691 1.00 0.68 C ATOM 737 CG LYS A 48 2.219 -5.300 7.093 1.00 1.13 C ATOM 738 CD LYS A 48 2.448 -6.437 8.088 1.00 1.72 C ATOM 739 CE LYS A 48 2.028 -7.762 7.451 1.00 2.29 C ATOM 740 NZ LYS A 48 0.555 -7.759 7.226 1.00 2.97 N ATOM 0 H LYS A 48 0.384 -3.640 6.787 1.00 0.60 H new ATOM 0 HA LYS A 48 2.727 -1.882 7.172 1.00 0.53 H new ATOM 0 HB2 LYS A 48 3.813 -4.032 7.818 1.00 0.68 H new ATOM 0 HB3 LYS A 48 2.300 -3.835 8.680 1.00 0.68 H new ATOM 0 HG2 LYS A 48 1.158 -5.216 6.859 1.00 1.13 H new ATOM 0 HG3 LYS A 48 2.736 -5.512 6.157 1.00 1.13 H new ATOM 0 HD2 LYS A 48 3.498 -6.476 8.376 1.00 1.72 H new ATOM 0 HD3 LYS A 48 1.874 -6.260 8.998 1.00 1.72 H new ATOM 0 HE2 LYS A 48 2.551 -7.905 6.505 1.00 2.29 H new ATOM 0 HE3 LYS A 48 2.306 -8.594 8.098 1.00 2.29 H new ATOM 0 HZ1 LYS A 48 0.231 -8.729 7.036 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 0.075 -7.393 8.073 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 0.329 -7.153 6.411 1.00 2.97 H new ATOM 754 N THR A 49 2.281 -3.622 4.454 1.00 0.35 N ATOM 755 CA THR A 49 2.891 -3.873 3.108 1.00 0.42 C ATOM 756 C THR A 49 1.820 -3.853 2.012 1.00 0.62 C ATOM 757 O THR A 49 0.638 -3.790 2.281 1.00 1.59 O ATOM 758 CB THR A 49 3.586 -5.237 3.120 1.00 0.45 C ATOM 759 OG1 THR A 49 4.338 -5.391 1.925 1.00 0.57 O ATOM 760 CG2 THR A 49 2.542 -6.349 3.220 1.00 0.48 C ATOM 0 H THR A 49 1.313 -3.927 4.559 1.00 0.35 H new ATOM 0 HA THR A 49 3.614 -3.085 2.897 1.00 0.42 H new ATOM 0 HB THR A 49 4.253 -5.297 3.980 1.00 0.45 H new ATOM 0 HG1 THR A 49 4.786 -6.263 1.930 1.00 0.57 H new ATOM 0 HG21 THR A 49 3.042 -7.318 3.228 1.00 0.48 H new ATOM 0 HG22 THR A 49 1.969 -6.229 4.139 1.00 0.48 H new ATOM 0 HG23 THR A 49 1.870 -6.295 2.364 1.00 0.48 H new ATOM 768 N VAL A 50 2.238 -3.899 0.770 1.00 0.44 N ATOM 769 CA VAL A 50 1.264 -3.872 -0.363 1.00 0.33 C ATOM 770 C VAL A 50 0.432 -5.157 -0.385 1.00 0.37 C ATOM 771 O VAL A 50 -0.743 -5.137 -0.696 1.00 0.40 O ATOM 772 CB VAL A 50 2.018 -3.755 -1.691 1.00 0.42 C ATOM 773 CG1 VAL A 50 2.946 -2.541 -1.654 1.00 0.47 C ATOM 774 CG2 VAL A 50 2.843 -5.023 -1.928 1.00 0.44 C ATOM 0 H VAL A 50 3.218 -3.954 0.492 1.00 0.44 H new ATOM 0 HA VAL A 50 0.605 -3.015 -0.228 1.00 0.33 H new ATOM 0 HB VAL A 50 1.299 -3.634 -2.501 1.00 0.42 H new ATOM 0 HG11 VAL A 50 3.480 -2.462 -2.601 1.00 0.47 H new ATOM 0 HG12 VAL A 50 2.357 -1.638 -1.493 1.00 0.47 H new ATOM 0 HG13 VAL A 50 3.663 -2.656 -0.841 1.00 0.47 H new ATOM 0 HG21 VAL A 50 3.378 -4.937 -2.874 1.00 0.44 H new ATOM 0 HG22 VAL A 50 3.559 -5.148 -1.116 1.00 0.44 H new ATOM 0 HG23 VAL A 50 2.180 -5.887 -1.964 1.00 0.44 H new ATOM 784 N GLU A 51 1.026 -6.278 -0.078 1.00 0.43 N ATOM 785 CA GLU A 51 0.250 -7.548 -0.109 1.00 0.53 C ATOM 786 C GLU A 51 -0.910 -7.438 0.877 1.00 0.49 C ATOM 787 O GLU A 51 -2.015 -7.862 0.601 1.00 0.62 O ATOM 788 CB GLU A 51 1.159 -8.720 0.280 1.00 0.66 C ATOM 789 CG GLU A 51 0.364 -10.030 0.243 1.00 1.57 C ATOM 790 CD GLU A 51 1.279 -11.193 0.632 1.00 1.95 C ATOM 791 OE1 GLU A 51 2.476 -10.976 0.718 1.00 2.64 O ATOM 792 OE2 GLU A 51 0.766 -12.282 0.834 1.00 2.14 O ATOM 0 H GLU A 51 2.006 -6.369 0.190 1.00 0.43 H new ATOM 0 HA GLU A 51 -0.136 -7.723 -1.113 1.00 0.53 H new ATOM 0 HB2 GLU A 51 2.005 -8.778 -0.405 1.00 0.66 H new ATOM 0 HB3 GLU A 51 1.567 -8.560 1.278 1.00 0.66 H new ATOM 0 HG2 GLU A 51 -0.482 -9.974 0.928 1.00 1.57 H new ATOM 0 HG3 GLU A 51 -0.044 -10.192 -0.755 1.00 1.57 H new ATOM 799 N GLY A 52 -0.676 -6.853 2.017 1.00 0.40 N ATOM 800 CA GLY A 52 -1.773 -6.697 3.006 1.00 0.41 C ATOM 801 C GLY A 52 -2.814 -5.737 2.432 1.00 0.31 C ATOM 802 O GLY A 52 -4.004 -5.937 2.569 1.00 0.35 O ATOM 0 H GLY A 52 0.227 -6.477 2.305 1.00 0.40 H new ATOM 0 HA2 GLY A 52 -2.228 -7.664 3.222 1.00 0.41 H new ATOM 0 HA3 GLY A 52 -1.382 -6.312 3.948 1.00 0.41 H new ATOM 806 N VAL A 53 -2.368 -4.696 1.780 1.00 0.22 N ATOM 807 CA VAL A 53 -3.323 -3.721 1.184 1.00 0.15 C ATOM 808 C VAL A 53 -4.132 -4.407 0.075 1.00 0.14 C ATOM 809 O VAL A 53 -5.343 -4.318 0.032 1.00 0.17 O ATOM 810 CB VAL A 53 -2.534 -2.542 0.595 1.00 0.14 C ATOM 811 CG1 VAL A 53 -3.466 -1.652 -0.237 1.00 0.19 C ATOM 812 CG2 VAL A 53 -1.931 -1.713 1.734 1.00 0.14 C ATOM 0 H VAL A 53 -1.382 -4.480 1.635 1.00 0.22 H new ATOM 0 HA VAL A 53 -4.006 -3.357 1.952 1.00 0.15 H new ATOM 0 HB VAL A 53 -1.739 -2.928 -0.043 1.00 0.14 H new ATOM 0 HG11 VAL A 53 -2.899 -0.818 -0.651 1.00 0.19 H new ATOM 0 HG12 VAL A 53 -3.898 -2.236 -1.049 1.00 0.19 H new ATOM 0 HG13 VAL A 53 -4.265 -1.268 0.398 1.00 0.19 H new ATOM 0 HG21 VAL A 53 -1.371 -0.876 1.318 1.00 0.14 H new ATOM 0 HG22 VAL A 53 -2.730 -1.334 2.371 1.00 0.14 H new ATOM 0 HG23 VAL A 53 -1.262 -2.339 2.325 1.00 0.14 H new ATOM 822 N LYS A 54 -3.468 -5.075 -0.829 1.00 0.18 N ATOM 823 CA LYS A 54 -4.190 -5.751 -1.947 1.00 0.21 C ATOM 824 C LYS A 54 -5.127 -6.844 -1.413 1.00 0.20 C ATOM 825 O LYS A 54 -6.259 -6.959 -1.836 1.00 0.21 O ATOM 826 CB LYS A 54 -3.170 -6.373 -2.904 1.00 0.26 C ATOM 827 CG LYS A 54 -3.910 -7.066 -4.049 1.00 0.30 C ATOM 828 CD LYS A 54 -2.920 -7.455 -5.153 1.00 0.78 C ATOM 829 CE LYS A 54 -2.012 -8.590 -4.672 1.00 1.14 C ATOM 830 NZ LYS A 54 -1.327 -9.201 -5.847 1.00 1.73 N ATOM 0 H LYS A 54 -2.454 -5.182 -0.842 1.00 0.18 H new ATOM 0 HA LYS A 54 -4.792 -5.009 -2.473 1.00 0.21 H new ATOM 0 HB2 LYS A 54 -2.507 -5.603 -3.298 1.00 0.26 H new ATOM 0 HB3 LYS A 54 -2.545 -7.091 -2.372 1.00 0.26 H new ATOM 0 HG2 LYS A 54 -4.421 -7.954 -3.678 1.00 0.30 H new ATOM 0 HG3 LYS A 54 -4.675 -6.403 -4.452 1.00 0.30 H new ATOM 0 HD2 LYS A 54 -3.463 -7.767 -6.045 1.00 0.78 H new ATOM 0 HD3 LYS A 54 -2.317 -6.591 -5.432 1.00 0.78 H new ATOM 0 HE2 LYS A 54 -1.276 -8.208 -3.965 1.00 1.14 H new ATOM 0 HE3 LYS A 54 -2.599 -9.343 -4.146 1.00 1.14 H new ATOM 0 HZ1 LYS A 54 -0.709 -9.973 -5.526 1.00 1.73 H new ATOM 0 HZ2 LYS A 54 -2.038 -9.578 -6.506 1.00 1.73 H new ATOM 0 HZ3 LYS A 54 -0.756 -8.479 -6.330 1.00 1.73 H new ATOM 844 N ALA A 55 -4.663 -7.654 -0.500 1.00 0.22 N ATOM 845 CA ALA A 55 -5.527 -8.746 0.043 1.00 0.23 C ATOM 846 C ALA A 55 -6.643 -8.159 0.905 1.00 0.20 C ATOM 847 O ALA A 55 -7.675 -8.769 1.102 1.00 0.19 O ATOM 848 CB ALA A 55 -4.675 -9.691 0.893 1.00 0.30 C ATOM 0 H ALA A 55 -3.723 -7.608 -0.106 1.00 0.22 H new ATOM 0 HA ALA A 55 -5.971 -9.293 -0.789 1.00 0.23 H new ATOM 0 HB1 ALA A 55 -5.303 -10.489 1.290 1.00 0.30 H new ATOM 0 HB2 ALA A 55 -3.886 -10.123 0.277 1.00 0.30 H new ATOM 0 HB3 ALA A 55 -4.228 -9.136 1.718 1.00 0.30 H new ATOM 854 N LEU A 56 -6.443 -6.987 1.426 1.00 0.20 N ATOM 855 CA LEU A 56 -7.486 -6.365 2.282 1.00 0.21 C ATOM 856 C LEU A 56 -8.685 -5.967 1.419 1.00 0.18 C ATOM 857 O LEU A 56 -9.814 -5.985 1.855 1.00 0.19 O ATOM 858 CB LEU A 56 -6.900 -5.152 3.000 1.00 0.26 C ATOM 859 CG LEU A 56 -7.988 -4.412 3.791 1.00 0.30 C ATOM 860 CD1 LEU A 56 -8.712 -5.387 4.734 1.00 0.34 C ATOM 861 CD2 LEU A 56 -7.331 -3.300 4.619 1.00 0.46 C ATOM 0 H LEU A 56 -5.599 -6.429 1.296 1.00 0.20 H new ATOM 0 HA LEU A 56 -7.825 -7.078 3.033 1.00 0.21 H new ATOM 0 HB2 LEU A 56 -6.106 -5.471 3.675 1.00 0.26 H new ATOM 0 HB3 LEU A 56 -6.448 -4.476 2.274 1.00 0.26 H new ATOM 0 HG LEU A 56 -8.713 -3.986 3.097 1.00 0.30 H new ATOM 0 HD11 LEU A 56 -9.482 -4.852 5.290 1.00 0.34 H new ATOM 0 HD12 LEU A 56 -9.174 -6.183 4.150 1.00 0.34 H new ATOM 0 HD13 LEU A 56 -7.994 -5.819 5.432 1.00 0.34 H new ATOM 0 HD21 LEU A 56 -8.096 -2.768 5.185 1.00 0.46 H new ATOM 0 HD22 LEU A 56 -6.608 -3.738 5.308 1.00 0.46 H new ATOM 0 HD23 LEU A 56 -6.822 -2.603 3.953 1.00 0.46 H new ATOM 873 N ILE A 57 -8.460 -5.608 0.190 1.00 0.16 N ATOM 874 CA ILE A 57 -9.608 -5.241 -0.680 1.00 0.17 C ATOM 875 C ILE A 57 -10.243 -6.537 -1.182 1.00 0.17 C ATOM 876 O ILE A 57 -11.441 -6.633 -1.354 1.00 0.20 O ATOM 877 CB ILE A 57 -9.133 -4.420 -1.885 1.00 0.18 C ATOM 878 CG1 ILE A 57 -8.185 -3.283 -1.437 1.00 0.19 C ATOM 879 CG2 ILE A 57 -10.347 -3.829 -2.610 1.00 0.23 C ATOM 880 CD1 ILE A 57 -8.970 -2.124 -0.800 1.00 0.21 C ATOM 0 H ILE A 57 -7.540 -5.553 -0.248 1.00 0.16 H new ATOM 0 HA ILE A 57 -10.321 -4.642 -0.114 1.00 0.17 H new ATOM 0 HB ILE A 57 -8.585 -5.077 -2.561 1.00 0.18 H new ATOM 0 HG12 ILE A 57 -7.460 -3.671 -0.722 1.00 0.19 H new ATOM 0 HG13 ILE A 57 -7.622 -2.916 -2.295 1.00 0.19 H new ATOM 0 HG21 ILE A 57 -10.010 -3.245 -3.467 1.00 0.23 H new ATOM 0 HG22 ILE A 57 -10.995 -4.636 -2.953 1.00 0.23 H new ATOM 0 HG23 ILE A 57 -10.901 -3.185 -1.927 1.00 0.23 H new ATOM 0 HD11 ILE A 57 -8.277 -1.340 -0.495 1.00 0.21 H new ATOM 0 HD12 ILE A 57 -9.677 -1.722 -1.525 1.00 0.21 H new ATOM 0 HD13 ILE A 57 -9.513 -2.488 0.072 1.00 0.21 H new ATOM 892 N ASP A 58 -9.439 -7.541 -1.421 1.00 0.16 N ATOM 893 CA ASP A 58 -9.991 -8.834 -1.918 1.00 0.19 C ATOM 894 C ASP A 58 -10.853 -9.480 -0.835 1.00 0.19 C ATOM 895 O ASP A 58 -11.898 -10.035 -1.113 1.00 0.22 O ATOM 896 CB ASP A 58 -8.847 -9.779 -2.291 1.00 0.21 C ATOM 897 CG ASP A 58 -8.144 -9.265 -3.548 1.00 0.50 C ATOM 898 OD1 ASP A 58 -8.750 -8.486 -4.265 1.00 1.11 O ATOM 899 OD2 ASP A 58 -7.012 -9.661 -3.774 1.00 1.17 O ATOM 0 H ASP A 58 -8.427 -7.520 -1.294 1.00 0.16 H new ATOM 0 HA ASP A 58 -10.602 -8.642 -2.800 1.00 0.19 H new ATOM 0 HB2 ASP A 58 -8.136 -9.848 -1.468 1.00 0.21 H new ATOM 0 HB3 ASP A 58 -9.234 -10.783 -2.464 1.00 0.21 H new ATOM 904 N GLU A 59 -10.434 -9.414 0.398 1.00 0.18 N ATOM 905 CA GLU A 59 -11.247 -10.027 1.482 1.00 0.21 C ATOM 906 C GLU A 59 -12.501 -9.177 1.689 1.00 0.24 C ATOM 907 O GLU A 59 -13.573 -9.685 1.948 1.00 0.30 O ATOM 908 CB GLU A 59 -10.419 -10.114 2.775 1.00 0.23 C ATOM 909 CG GLU A 59 -10.216 -8.728 3.366 1.00 0.25 C ATOM 910 CD GLU A 59 -9.228 -8.807 4.531 1.00 0.38 C ATOM 911 OE1 GLU A 59 -8.101 -9.215 4.299 1.00 0.98 O ATOM 912 OE2 GLU A 59 -9.615 -8.462 5.634 1.00 1.04 O ATOM 0 H GLU A 59 -9.569 -8.965 0.700 1.00 0.18 H new ATOM 0 HA GLU A 59 -11.541 -11.040 1.207 1.00 0.21 H new ATOM 0 HB2 GLU A 59 -10.926 -10.754 3.497 1.00 0.23 H new ATOM 0 HB3 GLU A 59 -9.453 -10.573 2.566 1.00 0.23 H new ATOM 0 HG2 GLU A 59 -9.840 -8.047 2.602 1.00 0.25 H new ATOM 0 HG3 GLU A 59 -11.169 -8.325 3.710 1.00 0.25 H new ATOM 919 N ILE A 60 -12.374 -7.882 1.566 1.00 0.23 N ATOM 920 CA ILE A 60 -13.557 -6.998 1.744 1.00 0.27 C ATOM 921 C ILE A 60 -14.521 -7.188 0.569 1.00 0.28 C ATOM 922 O ILE A 60 -15.723 -7.234 0.742 1.00 0.33 O ATOM 923 CB ILE A 60 -13.097 -5.537 1.814 1.00 0.28 C ATOM 924 CG1 ILE A 60 -12.351 -5.310 3.129 1.00 0.29 C ATOM 925 CG2 ILE A 60 -14.306 -4.596 1.747 1.00 0.33 C ATOM 926 CD1 ILE A 60 -11.609 -3.973 3.074 1.00 0.27 C ATOM 0 H ILE A 60 -11.501 -7.401 1.350 1.00 0.23 H new ATOM 0 HA ILE A 60 -14.070 -7.256 2.670 1.00 0.27 H new ATOM 0 HB ILE A 60 -12.440 -5.328 0.970 1.00 0.28 H new ATOM 0 HG12 ILE A 60 -13.053 -5.314 3.963 1.00 0.29 H new ATOM 0 HG13 ILE A 60 -11.645 -6.122 3.303 1.00 0.29 H new ATOM 0 HG21 ILE A 60 -13.965 -3.562 1.798 1.00 0.33 H new ATOM 0 HG22 ILE A 60 -14.841 -4.757 0.811 1.00 0.33 H new ATOM 0 HG23 ILE A 60 -14.973 -4.800 2.585 1.00 0.33 H new ATOM 0 HD11 ILE A 60 -11.078 -3.813 4.012 1.00 0.27 H new ATOM 0 HD12 ILE A 60 -10.895 -3.987 2.251 1.00 0.27 H new ATOM 0 HD13 ILE A 60 -12.325 -3.166 2.920 1.00 0.27 H new ATOM 938 N LEU A 61 -14.003 -7.308 -0.622 1.00 0.25 N ATOM 939 CA LEU A 61 -14.890 -7.504 -1.801 1.00 0.30 C ATOM 940 C LEU A 61 -15.565 -8.876 -1.712 1.00 0.33 C ATOM 941 O LEU A 61 -16.729 -9.025 -2.026 1.00 0.46 O ATOM 942 CB LEU A 61 -14.069 -7.405 -3.095 1.00 0.29 C ATOM 943 CG LEU A 61 -13.662 -5.949 -3.365 1.00 0.32 C ATOM 944 CD1 LEU A 61 -12.683 -5.922 -4.544 1.00 1.15 C ATOM 945 CD2 LEU A 61 -14.902 -5.091 -3.702 1.00 1.27 C ATOM 0 H LEU A 61 -13.005 -7.279 -0.829 1.00 0.25 H new ATOM 0 HA LEU A 61 -15.655 -6.728 -1.809 1.00 0.30 H new ATOM 0 HB2 LEU A 61 -13.179 -8.029 -3.016 1.00 0.29 H new ATOM 0 HB3 LEU A 61 -14.653 -7.787 -3.933 1.00 0.29 H new ATOM 0 HG LEU A 61 -13.191 -5.537 -2.473 1.00 0.32 H new ATOM 0 HD11 LEU A 61 -12.386 -4.893 -4.747 1.00 1.15 H new ATOM 0 HD12 LEU A 61 -11.801 -6.513 -4.298 1.00 1.15 H new ATOM 0 HD13 LEU A 61 -13.165 -6.341 -5.427 1.00 1.15 H new ATOM 0 HD21 LEU A 61 -14.593 -4.063 -3.890 1.00 1.27 H new ATOM 0 HD22 LEU A 61 -15.391 -5.491 -4.590 1.00 1.27 H new ATOM 0 HD23 LEU A 61 -15.598 -5.113 -2.864 1.00 1.27 H new ATOM 957 N ALA A 62 -14.846 -9.879 -1.289 1.00 0.28 N ATOM 958 CA ALA A 62 -15.451 -11.239 -1.185 1.00 0.32 C ATOM 959 C ALA A 62 -16.258 -11.352 0.113 1.00 0.37 C ATOM 960 O ALA A 62 -16.499 -12.436 0.605 1.00 0.48 O ATOM 961 CB ALA A 62 -14.339 -12.289 -1.181 1.00 0.31 C ATOM 0 H ALA A 62 -13.867 -9.817 -1.011 1.00 0.28 H new ATOM 0 HA ALA A 62 -16.112 -11.404 -2.036 1.00 0.32 H new ATOM 0 HB1 ALA A 62 -14.778 -13.284 -1.105 1.00 0.31 H new ATOM 0 HB2 ALA A 62 -13.765 -12.215 -2.105 1.00 0.31 H new ATOM 0 HB3 ALA A 62 -13.680 -12.118 -0.330 1.00 0.31 H new ATOM 967 N ALA A 63 -16.677 -10.244 0.673 1.00 0.41 N ATOM 968 CA ALA A 63 -17.471 -10.291 1.945 1.00 0.50 C ATOM 969 C ALA A 63 -18.605 -9.264 1.888 1.00 0.70 C ATOM 970 O ALA A 63 -19.167 -8.894 2.899 1.00 1.15 O ATOM 971 CB ALA A 63 -16.554 -9.967 3.127 1.00 0.72 C ATOM 0 H ALA A 63 -16.505 -9.308 0.306 1.00 0.41 H new ATOM 0 HA ALA A 63 -17.894 -11.288 2.068 1.00 0.50 H new ATOM 0 HB1 ALA A 63 -17.128 -10.000 4.053 1.00 0.72 H new ATOM 0 HB2 ALA A 63 -15.748 -10.699 3.173 1.00 0.72 H new ATOM 0 HB3 ALA A 63 -16.132 -8.970 2.998 1.00 0.72 H new ATOM 977 N LEU A 64 -18.950 -8.802 0.718 1.00 0.59 N ATOM 978 CA LEU A 64 -20.052 -7.803 0.612 1.00 0.85 C ATOM 979 C LEU A 64 -21.389 -8.496 0.938 1.00 1.41 C ATOM 980 O LEU A 64 -21.542 -9.675 0.689 1.00 1.62 O ATOM 981 CB LEU A 64 -20.094 -7.254 -0.822 1.00 0.65 C ATOM 982 CG LEU A 64 -18.869 -6.354 -1.080 1.00 0.53 C ATOM 983 CD1 LEU A 64 -18.615 -6.253 -2.586 1.00 0.68 C ATOM 984 CD2 LEU A 64 -19.110 -4.944 -0.520 1.00 0.84 C ATOM 0 H LEU A 64 -18.519 -9.071 -0.166 1.00 0.59 H new ATOM 0 HA LEU A 64 -19.884 -6.984 1.311 1.00 0.85 H new ATOM 0 HB2 LEU A 64 -20.106 -8.078 -1.535 1.00 0.65 H new ATOM 0 HB3 LEU A 64 -21.011 -6.686 -0.976 1.00 0.65 H new ATOM 0 HG LEU A 64 -18.005 -6.794 -0.583 1.00 0.53 H new ATOM 0 HD11 LEU A 64 -17.749 -5.617 -2.767 1.00 0.68 H new ATOM 0 HD12 LEU A 64 -18.426 -7.247 -2.991 1.00 0.68 H new ATOM 0 HD13 LEU A 64 -19.489 -5.823 -3.074 1.00 0.68 H new ATOM 0 HD21 LEU A 64 -18.235 -4.322 -0.711 1.00 0.84 H new ATOM 0 HD22 LEU A 64 -19.981 -4.504 -1.005 1.00 0.84 H new ATOM 0 HD23 LEU A 64 -19.285 -5.004 0.554 1.00 0.84 H new ATOM 996 N PRO A 65 -22.359 -7.789 1.486 1.00 1.85 N ATOM 997 CA PRO A 65 -23.671 -8.422 1.811 1.00 2.43 C ATOM 998 C PRO A 65 -24.342 -9.024 0.567 1.00 2.62 C ATOM 999 O PRO A 65 -23.853 -8.776 -0.523 1.00 2.81 O ATOM 1000 CB PRO A 65 -24.484 -7.241 2.383 1.00 2.89 C ATOM 1001 CG PRO A 65 -23.675 -5.947 2.166 1.00 2.69 C ATOM 1002 CD PRO A 65 -22.231 -6.340 1.817 1.00 2.01 C ATOM 1003 OXT PRO A 65 -25.332 -9.718 0.729 1.00 3.05 O ATOM 0 HA PRO A 65 -23.582 -9.260 2.502 1.00 2.43 H new ATOM 0 HB2 PRO A 65 -25.452 -7.171 1.887 1.00 2.89 H new ATOM 0 HB3 PRO A 65 -24.679 -7.393 3.444 1.00 2.89 H new ATOM 0 HG2 PRO A 65 -24.113 -5.354 1.363 1.00 2.69 H new ATOM 0 HG3 PRO A 65 -23.695 -5.330 3.065 1.00 2.69 H new ATOM 0 HD2 PRO A 65 -21.846 -5.764 0.975 1.00 2.01 H new ATOM 0 HD3 PRO A 65 -21.552 -6.174 2.653 1.00 2.01 H new TER 1011 PRO A 65