USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 HIS : no HE2:sc= -6.68! C(o=-7.1!,f=-11!) USER MOD Set 1.2: A 53 ASN : amide:sc= -0.38 K(o=-7.1,f=-9.4!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0376 X(o=-0.038,f=-0.0092) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc=-0.00824 X(o=-0.0082,f=-0.13) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2.59! C(o=-2.6!,f=-2.9!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.5) USER MOD Single : A 39 TYR OH : rot -119:sc= 0.431 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= -0.0292 (180deg=-0.289) USER MOD Single : A 52 SER OG : rot 180:sc= -0.349 USER MOD Single : A 62 GLN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.903 K(o=-0.9,f=-1.8!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= -0.0301 (180deg=-0.0308) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -14.515 -7.108 3.305 1.00 1.18 N ATOM 59 CA MET A 9 -13.349 -6.268 3.050 1.00 0.82 C ATOM 60 C MET A 9 -12.590 -6.759 1.823 1.00 0.72 C ATOM 61 O MET A 9 -12.677 -7.932 1.458 1.00 0.97 O ATOM 62 CB MET A 9 -12.425 -6.274 4.264 1.00 1.08 C ATOM 63 CG MET A 9 -12.993 -5.439 5.408 1.00 1.61 C ATOM 64 SD MET A 9 -13.215 -6.394 6.917 1.00 2.27 S ATOM 65 CE MET A 9 -14.921 -5.991 7.329 1.00 2.82 C ATOM 0 HA MET A 9 -13.693 -5.251 2.863 1.00 0.82 H new ATOM 0 HB2 MET A 9 -12.274 -7.299 4.602 1.00 1.08 H new ATOM 0 HB3 MET A 9 -11.447 -5.885 3.980 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.325 -4.601 5.608 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.951 -5.018 5.105 1.00 1.61 H new ATOM 0 HE1 MET A 9 -15.206 -6.509 8.244 1.00 2.82 H new ATOM 0 HE2 MET A 9 -15.015 -4.915 7.477 1.00 2.82 H new ATOM 0 HE3 MET A 9 -15.575 -6.304 6.516 1.00 2.82 H new ATOM 75 N ASP A 10 -11.849 -5.858 1.187 1.00 0.49 N ATOM 76 CA ASP A 10 -11.077 -6.206 -0.002 1.00 0.42 C ATOM 77 C ASP A 10 -9.602 -5.889 0.200 1.00 0.38 C ATOM 78 O ASP A 10 -9.252 -4.870 0.794 1.00 0.54 O ATOM 79 CB ASP A 10 -11.603 -5.444 -1.215 1.00 0.44 C ATOM 80 CG ASP A 10 -13.126 -5.455 -1.236 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.718 -6.524 -0.979 1.00 1.55 O ATOM 82 OD2 ASP A 10 -13.725 -4.393 -1.509 1.00 1.53 O ATOM 0 H ASP A 10 -11.766 -4.883 1.474 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.185 -7.277 -0.174 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.242 -4.416 -1.190 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.218 -5.895 -2.130 1.00 0.44 H new ATOM 87 N TYR A 11 -8.741 -6.767 -0.303 1.00 0.40 N ATOM 88 CA TYR A 11 -7.299 -6.585 -0.184 1.00 0.37 C ATOM 89 C TYR A 11 -6.608 -6.885 -1.509 1.00 0.34 C ATOM 90 O TYR A 11 -7.162 -7.574 -2.366 1.00 0.38 O ATOM 91 CB TYR A 11 -6.744 -7.494 0.911 1.00 0.42 C ATOM 92 CG TYR A 11 -6.764 -8.958 0.537 1.00 0.48 C ATOM 93 CD1 TYR A 11 -7.906 -9.713 0.741 1.00 0.54 C ATOM 94 CD2 TYR A 11 -5.639 -9.549 -0.010 1.00 0.57 C ATOM 95 CE1 TYR A 11 -7.922 -11.054 0.401 1.00 0.63 C ATOM 96 CE2 TYR A 11 -5.655 -10.891 -0.351 1.00 0.67 C ATOM 97 CZ TYR A 11 -6.796 -11.637 -0.144 1.00 0.67 C ATOM 98 OH TYR A 11 -6.813 -12.971 -0.481 1.00 0.78 O ATOM 0 H TYR A 11 -9.018 -7.614 -0.799 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.104 -5.546 0.081 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -5.720 -7.197 1.136 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.325 -7.351 1.822 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -8.786 -9.254 1.166 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -4.747 -8.963 -0.171 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -8.813 -11.643 0.562 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -4.776 -11.352 -0.778 1.00 0.67 H new ATOM 0 HH TYR A 11 -5.943 -13.226 -0.853 1.00 0.78 H new ATOM 108 N VAL A 12 -5.396 -6.366 -1.669 1.00 0.34 N ATOM 109 CA VAL A 12 -4.623 -6.578 -2.892 1.00 0.34 C ATOM 110 C VAL A 12 -3.133 -6.454 -2.605 1.00 0.35 C ATOM 111 O VAL A 12 -2.729 -5.854 -1.609 1.00 0.51 O ATOM 112 CB VAL A 12 -5.023 -5.586 -3.999 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.691 -6.333 -5.148 1.00 0.81 C ATOM 114 CG2 VAL A 12 -5.929 -4.463 -3.484 1.00 0.52 C ATOM 0 H VAL A 12 -4.925 -5.794 -0.968 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.843 -7.585 -3.246 1.00 0.34 H new ATOM 0 HB VAL A 12 -4.110 -5.110 -4.357 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.972 -5.625 -5.928 1.00 0.81 H new ATOM 0 HG12 VAL A 12 -4.997 -7.067 -5.557 1.00 0.81 H new ATOM 0 HG13 VAL A 12 -6.583 -6.842 -4.782 1.00 0.81 H new ATOM 0 HG21 VAL A 12 -6.180 -3.793 -4.306 1.00 0.52 H new ATOM 0 HG22 VAL A 12 -6.843 -4.892 -3.073 1.00 0.52 H new ATOM 0 HG23 VAL A 12 -5.409 -3.904 -2.706 1.00 0.52 H new ATOM 124 N GLU A 13 -2.321 -7.038 -3.479 1.00 0.49 N ATOM 125 CA GLU A 13 -0.871 -7.009 -3.318 1.00 0.54 C ATOM 126 C GLU A 13 -0.197 -6.508 -4.588 1.00 0.50 C ATOM 127 O GLU A 13 -0.431 -7.037 -5.675 1.00 0.60 O ATOM 128 CB GLU A 13 -0.362 -8.405 -2.982 1.00 0.67 C ATOM 129 CG GLU A 13 -1.301 -9.130 -2.022 1.00 1.05 C ATOM 130 CD GLU A 13 -1.172 -8.555 -0.618 1.00 1.43 C ATOM 131 OE1 GLU A 13 -0.153 -8.835 0.048 1.00 2.05 O ATOM 132 OE2 GLU A 13 -2.089 -7.825 -0.187 1.00 1.97 O ATOM 0 H GLU A 13 -2.642 -7.538 -4.308 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.627 -6.326 -2.504 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.259 -8.986 -3.899 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.630 -8.334 -2.537 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.330 -9.034 -2.368 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -1.067 -10.195 -2.009 1.00 1.05 H new ATOM 139 N ILE A 14 0.648 -5.491 -4.445 1.00 0.48 N ATOM 140 CA ILE A 14 1.362 -4.928 -5.587 1.00 0.49 C ATOM 141 C ILE A 14 2.818 -5.374 -5.572 1.00 0.48 C ATOM 142 O ILE A 14 3.408 -5.567 -4.509 1.00 0.43 O ATOM 143 CB ILE A 14 1.277 -3.405 -5.563 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.979 -2.842 -4.332 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.176 -2.944 -5.607 1.00 0.64 C ATOM 146 CD1 ILE A 14 2.238 -1.344 -4.473 1.00 0.63 C ATOM 0 H ILE A 14 0.855 -5.041 -3.553 1.00 0.48 H new ATOM 0 HA ILE A 14 0.896 -5.291 -6.503 1.00 0.49 H new ATOM 0 HB ILE A 14 1.785 -3.025 -6.450 1.00 0.52 H new ATOM 0 HG12 ILE A 14 1.368 -3.025 -3.448 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.924 -3.363 -4.180 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.213 -1.855 -5.589 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.646 -3.308 -6.521 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.710 -3.339 -4.743 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.739 -0.976 -3.578 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.870 -1.164 -5.343 1.00 0.63 H new ATOM 0 HD13 ILE A 14 1.290 -0.821 -4.599 1.00 0.63 H new ATOM 158 N ASN A 15 3.390 -5.549 -6.760 1.00 0.59 N ATOM 159 CA ASN A 15 4.775 -5.987 -6.888 1.00 0.62 C ATOM 160 C ASN A 15 5.740 -4.818 -6.731 1.00 0.60 C ATOM 161 O ASN A 15 5.564 -3.765 -7.342 1.00 0.78 O ATOM 162 CB ASN A 15 4.986 -6.652 -8.246 1.00 0.79 C ATOM 163 CG ASN A 15 3.950 -7.746 -8.466 1.00 1.31 C ATOM 164 OD1 ASN A 15 2.965 -7.548 -9.178 1.00 2.20 O ATOM 165 ND2 ASN A 15 4.172 -8.903 -7.855 1.00 1.54 N ATOM 0 H ASN A 15 2.914 -5.394 -7.649 1.00 0.59 H new ATOM 0 HA ASN A 15 4.978 -6.705 -6.094 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.912 -5.907 -9.038 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.989 -7.076 -8.299 1.00 0.79 H new ATOM 0 HD21 ASN A 15 3.513 -9.673 -7.966 1.00 1.54 H new ATOM 0 HD22 ASN A 15 5.002 -9.022 -7.274 1.00 1.54 H new ATOM 172 N ILE A 16 6.768 -5.022 -5.912 1.00 0.49 N ATOM 173 CA ILE A 16 7.782 -4.002 -5.667 1.00 0.49 C ATOM 174 C ILE A 16 9.141 -4.659 -5.461 1.00 0.56 C ATOM 175 O ILE A 16 9.234 -5.746 -4.893 1.00 0.66 O ATOM 176 CB ILE A 16 7.414 -3.174 -4.439 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.973 -2.677 -4.539 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.375 -2.002 -4.272 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.799 -1.670 -5.672 1.00 0.84 C ATOM 0 H ILE A 16 6.921 -5.893 -5.403 1.00 0.49 H new ATOM 0 HA ILE A 16 7.831 -3.342 -6.533 1.00 0.49 H new ATOM 0 HB ILE A 16 7.497 -3.812 -3.559 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.307 -3.524 -4.700 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.681 -2.217 -3.595 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.095 -1.425 -3.391 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.391 -2.379 -4.151 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.327 -1.364 -5.154 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.761 -1.341 -5.710 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.446 -0.810 -5.497 1.00 0.84 H new ATOM 0 HD13 ILE A 16 6.066 -2.138 -6.619 1.00 0.84 H new ATOM 191 N ASP A 17 10.194 -3.999 -5.932 1.00 0.63 N ATOM 192 CA ASP A 17 11.547 -4.530 -5.803 1.00 0.75 C ATOM 193 C ASP A 17 12.158 -4.147 -4.462 1.00 1.00 C ATOM 194 O ASP A 17 12.185 -4.951 -3.531 1.00 1.75 O ATOM 195 CB ASP A 17 12.422 -4.009 -6.940 1.00 1.27 C ATOM 196 CG ASP A 17 12.868 -5.157 -7.835 1.00 1.63 C ATOM 197 OD1 ASP A 17 13.683 -5.986 -7.379 1.00 2.21 O ATOM 198 OD2 ASP A 17 12.400 -5.227 -8.992 1.00 2.16 O ATOM 0 H ASP A 17 10.137 -3.097 -6.406 1.00 0.63 H new ATOM 0 HA ASP A 17 11.493 -5.617 -5.857 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.869 -3.276 -7.527 1.00 1.27 H new ATOM 0 HB3 ASP A 17 13.294 -3.498 -6.532 1.00 1.27 H new ATOM 203 N HIS A 18 12.657 -2.920 -4.370 1.00 1.27 N ATOM 204 CA HIS A 18 13.274 -2.437 -3.143 1.00 1.85 C ATOM 205 C HIS A 18 13.409 -0.922 -3.170 1.00 1.32 C ATOM 206 O HIS A 18 12.950 -0.264 -4.104 1.00 2.00 O ATOM 207 CB HIS A 18 14.650 -3.075 -2.969 1.00 2.83 C ATOM 208 CG HIS A 18 15.451 -3.087 -4.235 1.00 3.48 C ATOM 209 ND1 HIS A 18 15.827 -4.239 -4.877 1.00 4.01 N ATOM 210 CD2 HIS A 18 15.958 -2.082 -4.994 1.00 4.16 C ATOM 211 CE1 HIS A 18 16.519 -3.969 -5.959 1.00 4.73 C ATOM 212 NE2 HIS A 18 16.620 -2.655 -6.065 1.00 4.84 N ATOM 0 H HIS A 18 12.646 -2.242 -5.132 1.00 1.27 H new ATOM 0 HA HIS A 18 12.637 -2.714 -2.303 1.00 1.85 H new ATOM 0 HB2 HIS A 18 15.202 -2.533 -2.201 1.00 2.83 H new ATOM 0 HB3 HIS A 18 14.528 -4.098 -2.612 1.00 2.83 H new ATOM 0 HD2 HIS A 18 15.862 -1.025 -4.797 1.00 4.16 H new ATOM 0 HE1 HIS A 18 16.934 -4.694 -6.644 1.00 4.73 H new ATOM 0 HE2 HIS A 18 17.103 -2.151 -6.808 1.00 4.84 H new ATOM 220 N LYS A 19 14.041 -0.370 -2.140 1.00 0.82 N ATOM 221 CA LYS A 19 14.237 1.070 -2.044 1.00 0.84 C ATOM 222 C LYS A 19 12.908 1.800 -2.182 1.00 0.77 C ATOM 223 O LYS A 19 12.866 2.958 -2.595 1.00 1.13 O ATOM 224 CB LYS A 19 15.202 1.539 -3.129 1.00 1.47 C ATOM 225 CG LYS A 19 16.623 1.679 -2.593 1.00 1.97 C ATOM 226 CD LYS A 19 17.579 2.194 -3.664 1.00 2.72 C ATOM 227 CE LYS A 19 17.836 1.144 -4.740 1.00 3.37 C ATOM 228 NZ LYS A 19 19.182 1.314 -5.353 1.00 4.03 N ATOM 0 H LYS A 19 14.427 -0.900 -1.359 1.00 0.82 H new ATOM 0 HA LYS A 19 14.660 1.298 -1.066 1.00 0.84 H new ATOM 0 HB2 LYS A 19 15.193 0.830 -3.957 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.866 2.497 -3.526 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.626 2.361 -1.743 1.00 1.97 H new ATOM 0 HG3 LYS A 19 16.971 0.713 -2.228 1.00 1.97 H new ATOM 0 HD2 LYS A 19 17.163 3.091 -4.122 1.00 2.72 H new ATOM 0 HD3 LYS A 19 18.524 2.481 -3.202 1.00 2.72 H new ATOM 0 HE2 LYS A 19 17.756 0.148 -4.305 1.00 3.37 H new ATOM 0 HE3 LYS A 19 17.071 1.217 -5.513 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.327 0.585 -6.081 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 19.249 2.256 -5.788 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 19.912 1.220 -4.619 1.00 4.03 H new ATOM 242 N PHE A 20 11.822 1.116 -1.834 1.00 0.63 N ATOM 243 CA PHE A 20 10.491 1.703 -1.918 1.00 0.61 C ATOM 244 C PHE A 20 9.921 1.936 -0.533 1.00 0.62 C ATOM 245 O PHE A 20 9.784 3.074 -0.094 1.00 0.95 O ATOM 246 CB PHE A 20 9.552 0.783 -2.692 1.00 0.62 C ATOM 247 CG PHE A 20 9.462 1.108 -4.160 1.00 0.75 C ATOM 248 CD1 PHE A 20 10.556 1.653 -4.810 1.00 1.08 C ATOM 249 CD2 PHE A 20 8.292 0.871 -4.861 1.00 0.96 C ATOM 250 CE1 PHE A 20 10.480 1.961 -6.156 1.00 1.26 C ATOM 251 CE2 PHE A 20 8.217 1.178 -6.209 1.00 1.17 C ATOM 252 CZ PHE A 20 9.282 1.690 -6.862 1.00 1.19 C ATOM 0 H PHE A 20 11.839 0.155 -1.492 1.00 0.63 H new ATOM 0 HA PHE A 20 10.578 2.657 -2.438 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.890 -0.247 -2.577 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.556 0.843 -2.254 1.00 0.62 H new ATOM 0 HD1 PHE A 20 11.470 1.838 -4.265 1.00 1.08 H new ATOM 0 HD2 PHE A 20 7.437 0.446 -4.356 1.00 0.96 H new ATOM 0 HE1 PHE A 20 11.325 2.403 -6.663 1.00 1.26 H new ATOM 0 HE2 PHE A 20 7.295 1.006 -6.745 1.00 1.17 H new ATOM 0 HZ PHE A 20 9.221 1.893 -7.921 1.00 1.19 H new ATOM 262 N HIS A 21 9.577 0.846 0.147 1.00 0.53 N ATOM 263 CA HIS A 21 8.999 0.911 1.491 1.00 0.57 C ATOM 264 C HIS A 21 9.664 1.996 2.329 1.00 0.69 C ATOM 265 O HIS A 21 8.999 2.903 2.825 1.00 1.03 O ATOM 266 CB HIS A 21 9.160 -0.432 2.189 1.00 0.54 C ATOM 267 CG HIS A 21 8.448 -1.556 1.491 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.105 -2.725 2.118 1.00 0.48 N ATOM 269 CD2 HIS A 21 7.999 -1.701 0.214 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.486 -3.537 1.294 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.403 -2.943 0.117 1.00 0.42 N ATOM 0 H HIS A 21 9.689 -0.102 -0.212 1.00 0.53 H new ATOM 0 HA HIS A 21 7.941 1.153 1.388 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.221 -0.672 2.259 1.00 0.54 H new ATOM 0 HB3 HIS A 21 8.783 -0.351 3.209 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.304 -2.936 3.096 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.092 -0.975 -0.580 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.110 -4.520 1.536 1.00 0.45 H new ATOM 279 N ARG A 22 10.979 1.893 2.476 1.00 0.68 N ATOM 280 CA ARG A 22 11.739 2.864 3.250 1.00 0.80 C ATOM 281 C ARG A 22 11.424 4.283 2.789 1.00 0.81 C ATOM 282 O ARG A 22 11.159 5.168 3.603 1.00 0.92 O ATOM 283 CB ARG A 22 13.232 2.592 3.106 1.00 0.93 C ATOM 284 CG ARG A 22 13.659 1.357 3.893 1.00 1.64 C ATOM 285 CD ARG A 22 14.152 1.724 5.289 1.00 2.14 C ATOM 286 NE ARG A 22 15.520 1.256 5.482 1.00 2.73 N ATOM 287 CZ ARG A 22 15.842 0.427 6.470 1.00 3.33 C ATOM 288 NH1 ARG A 22 15.120 -0.663 6.685 1.00 3.95 N ATOM 289 NH2 ARG A 22 16.888 0.688 7.244 1.00 3.72 N ATOM 0 H ARG A 22 11.541 1.146 2.069 1.00 0.68 H new ATOM 0 HA ARG A 22 11.456 2.768 4.298 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.477 2.455 2.053 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.795 3.458 3.454 1.00 0.93 H new ATOM 0 HG2 ARG A 22 12.819 0.667 3.973 1.00 1.64 H new ATOM 0 HG3 ARG A 22 14.449 0.836 3.353 1.00 1.64 H new ATOM 0 HD2 ARG A 22 14.107 2.805 5.425 1.00 2.14 H new ATOM 0 HD3 ARG A 22 13.499 1.281 6.041 1.00 2.14 H new ATOM 0 HE ARG A 22 16.248 1.573 4.842 1.00 2.73 H new ATOM 0 HH11 ARG A 22 14.316 -0.867 6.092 1.00 3.95 H new ATOM 0 HH12 ARG A 22 15.369 -1.298 7.444 1.00 3.95 H new ATOM 0 HH21 ARG A 22 17.446 1.526 7.081 1.00 3.72 H new ATOM 0 HH22 ARG A 22 17.133 0.051 8.002 1.00 3.72 H new ATOM 303 N HIS A 23 11.456 4.490 1.476 1.00 0.90 N ATOM 304 CA HIS A 23 11.175 5.799 0.892 1.00 0.98 C ATOM 305 C HIS A 23 9.696 6.140 1.031 1.00 0.96 C ATOM 306 O HIS A 23 9.327 7.098 1.711 1.00 1.12 O ATOM 307 CB HIS A 23 11.570 5.798 -0.583 1.00 1.02 C ATOM 308 CG HIS A 23 12.453 6.947 -0.955 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.234 8.233 -0.531 1.00 1.83 N ATOM 310 CD2 HIS A 23 13.574 7.017 -1.717 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.156 9.044 -0.997 1.00 2.07 C ATOM 312 NE2 HIS A 23 13.995 8.333 -1.731 1.00 1.86 N ATOM 0 H HIS A 23 11.675 3.765 0.793 1.00 0.90 H new ATOM 0 HA HIS A 23 11.756 6.552 1.424 1.00 0.98 H new ATOM 0 HB2 HIS A 23 12.082 4.864 -0.815 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.668 5.828 -1.194 1.00 1.02 H new ATOM 0 HD2 HIS A 23 14.052 6.191 -2.223 1.00 1.56 H new ATOM 0 HE1 HIS A 23 13.218 10.106 -0.813 1.00 2.07 H new ATOM 0 HE2 HIS A 23 14.812 8.694 -2.223 1.00 1.86 H new ATOM 320 N LEU A 24 8.856 5.342 0.380 1.00 0.86 N ATOM 321 CA LEU A 24 7.416 5.514 0.399 1.00 0.87 C ATOM 322 C LEU A 24 6.912 5.918 1.782 1.00 0.97 C ATOM 323 O LEU A 24 6.109 6.841 1.912 1.00 1.16 O ATOM 324 CB LEU A 24 6.774 4.201 -0.023 1.00 0.73 C ATOM 325 CG LEU A 24 6.713 4.061 -1.543 1.00 0.76 C ATOM 326 CD1 LEU A 24 8.070 4.288 -2.203 1.00 1.25 C ATOM 327 CD2 LEU A 24 6.156 2.694 -1.930 1.00 0.72 C ATOM 0 H LEU A 24 9.165 4.549 -0.182 1.00 0.86 H new ATOM 0 HA LEU A 24 7.147 6.315 -0.289 1.00 0.87 H new ATOM 0 HB2 LEU A 24 7.340 3.369 0.396 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.766 4.141 0.388 1.00 0.73 H new ATOM 0 HG LEU A 24 6.043 4.839 -1.910 1.00 0.76 H new ATOM 0 HD11 LEU A 24 7.972 4.177 -3.283 1.00 1.25 H new ATOM 0 HD12 LEU A 24 8.424 5.293 -1.972 1.00 1.25 H new ATOM 0 HD13 LEU A 24 8.785 3.556 -1.826 1.00 1.25 H new ATOM 0 HD21 LEU A 24 6.119 2.610 -3.016 1.00 0.72 H new ATOM 0 HD22 LEU A 24 6.799 1.912 -1.527 1.00 0.72 H new ATOM 0 HD23 LEU A 24 5.151 2.582 -1.523 1.00 0.72 H new ATOM 339 N ILE A 25 7.382 5.221 2.812 1.00 0.92 N ATOM 340 CA ILE A 25 6.965 5.514 4.179 1.00 1.10 C ATOM 341 C ILE A 25 7.674 6.761 4.704 1.00 1.41 C ATOM 342 O ILE A 25 7.056 7.620 5.332 1.00 1.91 O ATOM 343 CB ILE A 25 7.235 4.306 5.090 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.706 4.219 5.502 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.800 3.007 4.416 1.00 1.06 C ATOM 346 CD1 ILE A 25 8.944 3.069 6.474 1.00 0.91 C ATOM 0 H ILE A 25 8.048 4.453 2.727 1.00 0.92 H new ATOM 0 HA ILE A 25 5.893 5.711 4.180 1.00 1.10 H new ATOM 0 HB ILE A 25 6.643 4.450 5.994 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.326 4.083 4.616 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.012 5.157 5.964 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.001 2.167 5.081 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.733 3.050 4.198 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.355 2.876 3.487 1.00 1.06 H new ATOM 0 HD11 ILE A 25 9.999 3.035 6.747 1.00 0.91 H new ATOM 0 HD12 ILE A 25 8.342 3.220 7.370 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.661 2.128 6.001 1.00 0.91 H new ATOM 358 N GLY A 26 8.973 6.852 4.440 1.00 1.49 N ATOM 359 CA GLY A 26 9.767 7.991 4.884 1.00 1.87 C ATOM 360 C GLY A 26 10.895 7.545 5.803 1.00 1.82 C ATOM 361 O GLY A 26 12.072 7.730 5.492 1.00 2.29 O ATOM 0 H GLY A 26 9.499 6.149 3.920 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.181 8.509 4.019 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.128 8.703 5.406 1.00 1.87 H new ATOM 365 N LYS A 27 10.531 6.955 6.937 1.00 1.86 N ATOM 366 CA LYS A 27 11.515 6.481 7.904 1.00 1.91 C ATOM 367 C LYS A 27 10.893 5.457 8.846 1.00 1.62 C ATOM 368 O LYS A 27 11.452 4.381 9.063 1.00 2.38 O ATOM 369 CB LYS A 27 12.062 7.657 8.706 1.00 2.21 C ATOM 370 CG LYS A 27 10.941 8.553 9.222 1.00 2.65 C ATOM 371 CD LYS A 27 11.468 9.919 9.655 1.00 3.30 C ATOM 372 CE LYS A 27 10.955 11.032 8.746 1.00 3.80 C ATOM 373 NZ LYS A 27 11.801 11.168 7.526 1.00 4.51 N ATOM 0 H LYS A 27 9.561 6.794 7.209 1.00 1.86 H new ATOM 0 HA LYS A 27 12.331 6.003 7.362 1.00 1.91 H new ATOM 0 HB2 LYS A 27 12.647 7.284 9.547 1.00 2.21 H new ATOM 0 HB3 LYS A 27 12.738 8.241 8.082 1.00 2.21 H new ATOM 0 HG2 LYS A 27 10.190 8.682 8.443 1.00 2.65 H new ATOM 0 HG3 LYS A 27 10.446 8.069 10.064 1.00 2.65 H new ATOM 0 HD2 LYS A 27 11.164 10.118 10.683 1.00 3.30 H new ATOM 0 HD3 LYS A 27 12.558 9.910 9.641 1.00 3.30 H new ATOM 0 HE2 LYS A 27 9.926 10.822 8.456 1.00 3.80 H new ATOM 0 HE3 LYS A 27 10.946 11.975 9.292 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 11.427 11.932 6.928 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 12.778 11.392 7.804 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 11.789 10.275 6.994 1.00 4.51 H new ATOM 387 N SER A 28 9.736 5.796 9.404 1.00 1.28 N ATOM 388 CA SER A 28 9.040 4.904 10.325 1.00 1.60 C ATOM 389 C SER A 28 7.677 4.515 9.765 1.00 1.60 C ATOM 390 O SER A 28 7.279 3.352 9.826 1.00 2.28 O ATOM 391 CB SER A 28 8.868 5.585 11.679 1.00 1.99 C ATOM 392 OG SER A 28 10.050 6.290 12.030 1.00 2.57 O ATOM 0 H SER A 28 9.260 6.682 9.235 1.00 1.28 H new ATOM 0 HA SER A 28 9.637 4.000 10.450 1.00 1.60 H new ATOM 0 HB2 SER A 28 8.023 6.273 11.643 1.00 1.99 H new ATOM 0 HB3 SER A 28 8.640 4.840 12.442 1.00 1.99 H new ATOM 0 HG SER A 28 9.926 6.724 12.900 1.00 2.57 H new ATOM 398 N GLY A 29 6.966 5.496 9.221 1.00 1.21 N ATOM 399 CA GLY A 29 5.646 5.260 8.649 1.00 1.23 C ATOM 400 C GLY A 29 4.796 6.522 8.709 1.00 1.36 C ATOM 401 O GLY A 29 4.159 6.807 9.723 1.00 2.05 O ATOM 0 H GLY A 29 7.282 6.464 9.164 1.00 1.21 H new ATOM 0 HA2 GLY A 29 5.747 4.933 7.614 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.149 4.455 9.191 1.00 1.23 H new ATOM 405 N ALA A 30 4.793 7.279 7.616 1.00 1.00 N ATOM 406 CA ALA A 30 4.025 8.517 7.543 1.00 1.10 C ATOM 407 C ALA A 30 3.051 8.484 6.371 1.00 1.06 C ATOM 408 O ALA A 30 1.877 8.819 6.519 1.00 1.43 O ATOM 409 CB ALA A 30 4.971 9.705 7.396 1.00 1.27 C ATOM 0 H ALA A 30 5.314 7.056 6.768 1.00 1.00 H new ATOM 0 HA ALA A 30 3.452 8.621 8.464 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.392 10.627 7.342 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.640 9.746 8.256 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.558 9.592 6.485 1.00 1.27 H new ATOM 415 N ASN A 31 3.546 8.083 5.205 1.00 0.73 N ATOM 416 CA ASN A 31 2.719 8.014 4.006 1.00 0.69 C ATOM 417 C ASN A 31 1.559 7.046 4.205 1.00 0.60 C ATOM 418 O ASN A 31 0.457 7.276 3.706 1.00 0.58 O ATOM 419 CB ASN A 31 3.561 7.573 2.813 1.00 0.71 C ATOM 420 CG ASN A 31 4.266 8.771 2.193 1.00 1.24 C ATOM 421 OD1 ASN A 31 4.506 9.778 2.860 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.598 8.664 0.912 1.00 1.42 N ATOM 0 H ASN A 31 4.516 7.801 5.065 1.00 0.73 H new ATOM 0 HA ASN A 31 2.314 9.007 3.813 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.296 6.834 3.131 1.00 0.71 H new ATOM 0 HB3 ASN A 31 2.926 7.091 2.069 1.00 0.71 H new ATOM 0 HD21 ASN A 31 5.072 9.435 0.442 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.379 7.810 0.398 1.00 1.42 H new ATOM 429 N ILE A 32 1.811 5.963 4.934 1.00 0.58 N ATOM 430 CA ILE A 32 0.782 4.961 5.195 1.00 0.56 C ATOM 431 C ILE A 32 -0.491 5.624 5.709 1.00 0.52 C ATOM 432 O ILE A 32 -1.598 5.158 5.440 1.00 0.51 O ATOM 433 CB ILE A 32 1.285 3.942 6.212 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.995 4.638 7.368 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.210 2.927 5.550 1.00 0.69 C ATOM 436 CD1 ILE A 32 1.845 3.855 8.669 1.00 1.07 C ATOM 0 H ILE A 32 2.717 5.757 5.354 1.00 0.58 H new ATOM 0 HA ILE A 32 0.556 4.448 4.260 1.00 0.56 H new ATOM 0 HB ILE A 32 0.422 3.409 6.611 1.00 0.63 H new ATOM 0 HG12 ILE A 32 3.053 4.752 7.131 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.587 5.641 7.496 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.556 2.210 6.295 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.669 2.400 4.764 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.067 3.444 5.118 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.363 4.380 9.471 1.00 1.07 H new ATOM 0 HD12 ILE A 32 0.788 3.763 8.919 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.277 2.861 8.548 1.00 1.07 H new ATOM 448 N ASN A 33 -0.325 6.719 6.443 1.00 0.56 N ATOM 449 CA ASN A 33 -1.457 7.454 6.990 1.00 0.59 C ATOM 450 C ASN A 33 -2.062 8.356 5.924 1.00 0.54 C ATOM 451 O ASN A 33 -3.275 8.564 5.887 1.00 0.55 O ATOM 452 CB ASN A 33 -1.008 8.291 8.185 1.00 0.71 C ATOM 453 CG ASN A 33 -1.983 8.124 9.344 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.078 7.050 9.940 1.00 1.51 O ATOM 455 ND2 ASN A 33 -2.710 9.188 9.663 1.00 1.62 N ATOM 0 H ASN A 33 0.586 7.117 6.673 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.213 6.741 7.319 1.00 0.59 H new ATOM 0 HB2 ASN A 33 -0.008 7.987 8.495 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.948 9.341 7.900 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -3.381 9.136 10.430 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -2.598 10.057 9.141 1.00 1.62 H new ATOM 462 N ARG A 34 -1.208 8.888 5.057 1.00 0.55 N ATOM 463 CA ARG A 34 -1.654 9.769 3.984 1.00 0.56 C ATOM 464 C ARG A 34 -2.718 9.082 3.138 1.00 0.48 C ATOM 465 O ARG A 34 -3.805 9.621 2.936 1.00 0.48 O ATOM 466 CB ARG A 34 -0.468 10.164 3.108 1.00 0.65 C ATOM 467 CG ARG A 34 -0.366 11.678 2.948 1.00 0.89 C ATOM 468 CD ARG A 34 0.762 12.259 3.796 1.00 1.22 C ATOM 469 NE ARG A 34 0.675 11.768 5.167 1.00 1.69 N ATOM 470 CZ ARG A 34 0.713 12.593 6.208 1.00 2.27 C ATOM 471 NH1 ARG A 34 1.792 13.328 6.436 1.00 2.78 N ATOM 472 NH2 ARG A 34 -0.329 12.684 7.022 1.00 2.90 N ATOM 0 H ARG A 34 -0.201 8.724 5.076 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.087 10.666 4.427 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.453 9.781 3.548 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.569 9.700 2.127 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.197 11.923 1.899 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.311 12.139 3.234 1.00 0.89 H new ATOM 0 HD2 ARG A 34 1.726 11.986 3.366 1.00 1.22 H new ATOM 0 HD3 ARG A 34 0.707 13.348 3.789 1.00 1.22 H new ATOM 0 HE ARG A 34 0.583 10.765 5.331 1.00 1.69 H new ATOM 0 HH11 ARG A 34 2.596 13.261 5.812 1.00 2.78 H new ATOM 0 HH12 ARG A 34 1.819 13.960 7.236 1.00 2.78 H new ATOM 0 HH21 ARG A 34 -1.161 12.120 6.850 1.00 2.90 H new ATOM 0 HH22 ARG A 34 -0.298 13.318 7.821 1.00 2.90 H new ATOM 486 N ILE A 35 -2.399 7.888 2.648 1.00 0.45 N ATOM 487 CA ILE A 35 -3.330 7.122 1.826 1.00 0.40 C ATOM 488 C ILE A 35 -4.496 6.624 2.673 1.00 0.34 C ATOM 489 O ILE A 35 -5.656 6.917 2.388 1.00 0.34 O ATOM 490 CB ILE A 35 -2.605 5.940 1.182 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.476 6.431 0.278 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.575 5.065 0.394 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.170 6.601 1.048 1.00 1.29 C ATOM 0 H ILE A 35 -1.502 7.429 2.806 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.721 7.769 1.041 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.174 5.335 1.980 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.328 5.723 -0.537 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.759 7.382 -0.173 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.033 4.232 -0.053 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.344 4.680 1.064 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.043 5.657 -0.392 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.609 6.951 0.371 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.311 7.329 1.847 1.00 1.29 H new ATOM 0 HD13 ILE A 35 0.126 5.644 1.477 1.00 1.29 H new ATOM 505 N LYS A 36 -4.173 5.869 3.720 1.00 0.35 N ATOM 506 CA LYS A 36 -5.175 5.319 4.631 1.00 0.36 C ATOM 507 C LYS A 36 -6.258 6.348 4.952 1.00 0.39 C ATOM 508 O LYS A 36 -7.408 5.992 5.209 1.00 0.51 O ATOM 509 CB LYS A 36 -4.492 4.867 5.920 1.00 0.44 C ATOM 510 CG LYS A 36 -5.490 4.312 6.932 1.00 1.09 C ATOM 511 CD LYS A 36 -5.178 4.790 8.347 1.00 1.41 C ATOM 512 CE LYS A 36 -6.389 4.646 9.266 1.00 2.17 C ATOM 513 NZ LYS A 36 -6.624 3.222 9.632 1.00 2.76 N ATOM 0 H LYS A 36 -3.213 5.622 3.961 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.653 4.469 4.145 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.749 4.104 5.688 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -3.958 5.708 6.362 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.498 4.621 6.657 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.471 3.223 6.903 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.344 4.216 8.750 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -4.863 5.833 8.319 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -6.234 5.235 10.170 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -7.273 5.047 8.771 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -7.453 3.156 10.257 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -6.795 2.666 8.770 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -5.788 2.848 10.125 1.00 2.76 H new ATOM 527 N ASP A 37 -5.882 7.623 4.937 1.00 0.40 N ATOM 528 CA ASP A 37 -6.820 8.702 5.228 1.00 0.45 C ATOM 529 C ASP A 37 -7.380 9.296 3.941 1.00 0.44 C ATOM 530 O ASP A 37 -8.580 9.551 3.836 1.00 0.60 O ATOM 531 CB ASP A 37 -6.126 9.790 6.042 1.00 0.51 C ATOM 532 CG ASP A 37 -7.076 10.354 7.091 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.937 11.183 6.729 1.00 1.37 O ATOM 534 OD2 ASP A 37 -6.957 9.966 8.272 1.00 1.56 O ATOM 0 H ASP A 37 -4.934 7.934 4.726 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.647 8.290 5.806 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.240 9.381 6.527 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.788 10.588 5.381 1.00 0.51 H new ATOM 539 N GLN A 38 -6.505 9.520 2.966 1.00 0.41 N ATOM 540 CA GLN A 38 -6.913 10.090 1.686 1.00 0.46 C ATOM 541 C GLN A 38 -7.854 9.153 0.942 1.00 0.42 C ATOM 542 O GLN A 38 -8.640 9.590 0.102 1.00 0.68 O ATOM 543 CB GLN A 38 -5.691 10.375 0.827 1.00 0.54 C ATOM 544 CG GLN A 38 -6.013 11.381 -0.270 1.00 0.65 C ATOM 545 CD GLN A 38 -6.563 12.671 0.325 1.00 1.05 C ATOM 546 OE1 GLN A 38 -7.755 12.957 0.220 1.00 1.65 O ATOM 547 NE2 GLN A 38 -5.690 13.454 0.949 1.00 1.66 N ATOM 0 H GLN A 38 -5.508 9.316 3.037 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.442 11.022 1.887 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -4.885 10.760 1.452 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.333 9.448 0.380 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.114 11.596 -0.848 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.741 10.954 -0.960 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -4.710 13.177 1.012 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -5.999 14.332 1.365 1.00 1.66 H new ATOM 556 N TYR A 39 -7.769 7.860 1.246 1.00 0.34 N ATOM 557 CA TYR A 39 -8.617 6.871 0.592 1.00 0.34 C ATOM 558 C TYR A 39 -9.367 6.011 1.609 1.00 0.30 C ATOM 559 O TYR A 39 -10.002 5.023 1.238 1.00 0.32 O ATOM 560 CB TYR A 39 -7.769 5.982 -0.314 1.00 0.39 C ATOM 561 CG TYR A 39 -7.102 6.739 -1.435 1.00 0.46 C ATOM 562 CD1 TYR A 39 -7.792 7.002 -2.605 1.00 0.64 C ATOM 563 CD2 TYR A 39 -5.795 7.175 -1.297 1.00 0.53 C ATOM 564 CE1 TYR A 39 -7.179 7.695 -3.634 1.00 0.73 C ATOM 565 CE2 TYR A 39 -5.182 7.868 -2.326 1.00 0.62 C ATOM 566 CZ TYR A 39 -5.876 8.125 -3.489 1.00 0.66 C ATOM 567 OH TYR A 39 -5.265 8.814 -4.513 1.00 0.77 O ATOM 0 H TYR A 39 -7.125 7.476 1.937 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.357 7.405 -0.004 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -7.005 5.487 0.286 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.399 5.200 -0.737 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -8.812 6.665 -2.716 1.00 0.64 H new ATOM 0 HD2 TYR A 39 -5.253 6.974 -0.385 1.00 0.53 H new ATOM 0 HE1 TYR A 39 -7.718 7.899 -4.547 1.00 0.73 H new ATOM 0 HE2 TYR A 39 -4.162 8.207 -2.218 1.00 0.62 H new ATOM 0 HH TYR A 39 -4.481 8.314 -4.822 1.00 0.77 H new ATOM 577 N LYS A 40 -9.300 6.381 2.889 1.00 0.28 N ATOM 578 CA LYS A 40 -9.982 5.628 3.942 1.00 0.31 C ATOM 579 C LYS A 40 -9.727 4.133 3.786 1.00 0.29 C ATOM 580 O LYS A 40 -10.636 3.317 3.938 1.00 0.39 O ATOM 581 CB LYS A 40 -11.482 5.903 3.892 1.00 0.38 C ATOM 582 CG LYS A 40 -11.787 7.391 4.046 1.00 0.86 C ATOM 583 CD LYS A 40 -12.610 7.669 5.301 1.00 1.29 C ATOM 584 CE LYS A 40 -12.165 8.956 5.991 1.00 1.88 C ATOM 585 NZ LYS A 40 -12.781 9.086 7.342 1.00 2.56 N ATOM 0 H LYS A 40 -8.782 7.195 3.220 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.588 5.950 4.906 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.887 5.544 2.946 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.981 5.345 4.684 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -10.853 7.952 4.091 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -12.329 7.745 3.169 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.665 7.743 5.036 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -12.513 6.832 5.993 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -11.079 8.966 6.082 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -12.442 9.814 5.379 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -12.460 9.970 7.786 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -13.817 9.100 7.251 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -12.496 8.279 7.932 1.00 2.56 H new ATOM 599 N VAL A 41 -8.484 3.785 3.475 1.00 0.23 N ATOM 600 CA VAL A 41 -8.098 2.392 3.287 1.00 0.23 C ATOM 601 C VAL A 41 -7.104 1.964 4.359 1.00 0.27 C ATOM 602 O VAL A 41 -6.841 2.707 5.301 1.00 0.33 O ATOM 603 CB VAL A 41 -7.485 2.218 1.900 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.559 2.321 0.826 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.390 3.254 1.665 1.00 0.23 C ATOM 0 H VAL A 41 -7.723 4.452 3.347 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.984 1.763 3.372 1.00 0.23 H new ATOM 0 HB VAL A 41 -7.036 1.226 1.843 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -8.104 2.195 -0.157 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.306 1.543 0.983 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -9.037 3.299 0.882 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.964 3.115 0.671 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.814 4.255 1.741 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.608 3.133 2.415 1.00 0.23 H new ATOM 615 N SER A 42 -6.554 0.761 4.213 1.00 0.29 N ATOM 616 CA SER A 42 -5.591 0.240 5.173 1.00 0.34 C ATOM 617 C SER A 42 -4.319 -0.202 4.461 1.00 0.30 C ATOM 618 O SER A 42 -4.140 -1.384 4.166 1.00 0.36 O ATOM 619 CB SER A 42 -6.197 -0.934 5.933 1.00 0.43 C ATOM 620 OG SER A 42 -6.116 -0.710 7.335 1.00 0.93 O ATOM 0 H SER A 42 -6.760 0.130 3.438 1.00 0.29 H new ATOM 0 HA SER A 42 -5.339 1.031 5.880 1.00 0.34 H new ATOM 0 HB2 SER A 42 -7.238 -1.068 5.639 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.672 -1.853 5.674 1.00 0.43 H new ATOM 0 HG SER A 42 -6.510 -1.471 7.811 1.00 0.93 H new ATOM 626 N VAL A 43 -3.438 0.755 4.187 1.00 0.33 N ATOM 627 CA VAL A 43 -2.180 0.467 3.510 1.00 0.34 C ATOM 628 C VAL A 43 -1.175 -0.119 4.493 1.00 0.35 C ATOM 629 O VAL A 43 -1.042 0.362 5.618 1.00 0.55 O ATOM 630 CB VAL A 43 -1.616 1.742 2.891 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.269 2.760 3.972 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.394 1.430 2.031 1.00 0.54 C ATOM 0 H VAL A 43 -3.573 1.738 4.424 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.367 -0.261 2.720 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.383 2.176 2.249 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.869 3.661 3.508 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -2.167 3.011 4.537 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.523 2.336 4.645 1.00 1.25 H new ATOM 0 HG21 VAL A 43 -0.008 2.353 1.599 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.377 0.968 2.648 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.677 0.746 1.231 1.00 0.54 H new ATOM 642 N ARG A 44 -0.472 -1.164 4.067 1.00 0.31 N ATOM 643 CA ARG A 44 0.515 -1.815 4.920 1.00 0.42 C ATOM 644 C ARG A 44 1.797 -2.104 4.150 1.00 0.40 C ATOM 645 O ARG A 44 1.812 -2.928 3.235 1.00 0.41 O ATOM 646 CB ARG A 44 -0.057 -3.112 5.479 1.00 0.52 C ATOM 647 CG ARG A 44 -1.466 -2.909 6.030 1.00 0.78 C ATOM 648 CD ARG A 44 -1.442 -2.276 7.417 1.00 1.05 C ATOM 649 NE ARG A 44 -2.694 -2.544 8.119 1.00 1.31 N ATOM 650 CZ ARG A 44 -2.789 -2.452 9.442 1.00 1.74 C ATOM 651 NH1 ARG A 44 -1.832 -1.856 10.142 1.00 2.27 N ATOM 652 NH2 ARG A 44 -3.844 -2.956 10.068 1.00 2.28 N ATOM 0 H ARG A 44 -0.567 -1.577 3.139 1.00 0.31 H new ATOM 0 HA ARG A 44 0.754 -1.140 5.742 1.00 0.42 H new ATOM 0 HB2 ARG A 44 -0.077 -3.870 4.696 1.00 0.52 H new ATOM 0 HB3 ARG A 44 0.593 -3.487 6.269 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -2.035 -2.275 5.350 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.981 -3.869 6.077 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -0.604 -2.672 7.990 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.289 -1.200 7.330 1.00 1.05 H new ATOM 0 HE ARG A 44 -3.518 -2.809 7.580 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -1.019 -1.466 9.665 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -1.909 -1.788 11.157 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -4.583 -3.414 9.534 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -3.917 -2.885 11.083 1.00 2.28 H new ATOM 666 N ILE A 45 2.875 -1.429 4.534 1.00 0.46 N ATOM 667 CA ILE A 45 4.172 -1.615 3.894 1.00 0.47 C ATOM 668 C ILE A 45 5.028 -2.568 4.732 1.00 0.53 C ATOM 669 O ILE A 45 5.576 -2.175 5.762 1.00 0.64 O ATOM 670 CB ILE A 45 4.864 -0.254 3.732 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.170 0.570 2.646 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.354 -0.402 3.415 1.00 0.60 C ATOM 673 CD1 ILE A 45 4.483 0.045 1.242 1.00 0.56 C ATOM 0 H ILE A 45 2.875 -0.744 5.290 1.00 0.46 H new ATOM 0 HA ILE A 45 4.037 -2.054 2.906 1.00 0.47 H new ATOM 0 HB ILE A 45 4.783 0.268 4.685 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.092 0.551 2.809 1.00 0.59 H new ATOM 0 HG13 ILE A 45 4.485 1.611 2.723 1.00 0.59 H new ATOM 0 HG21 ILE A 45 6.803 0.585 3.309 1.00 0.60 H new ATOM 0 HG22 ILE A 45 6.847 -0.940 4.225 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.475 -0.957 2.485 1.00 0.60 H new ATOM 0 HD11 ILE A 45 3.970 0.659 0.501 1.00 0.56 H new ATOM 0 HD12 ILE A 45 5.558 0.089 1.068 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.144 -0.987 1.155 1.00 0.56 H new ATOM 685 N PRO A 46 5.156 -3.836 4.301 1.00 0.48 N ATOM 686 CA PRO A 46 5.954 -4.833 5.026 1.00 0.58 C ATOM 687 C PRO A 46 7.454 -4.571 4.891 1.00 0.61 C ATOM 688 O PRO A 46 8.022 -4.720 3.811 1.00 0.56 O ATOM 689 CB PRO A 46 5.556 -6.155 4.375 1.00 0.57 C ATOM 690 CG PRO A 46 5.085 -5.794 3.006 1.00 0.47 C ATOM 691 CD PRO A 46 4.541 -4.392 3.083 1.00 0.41 C ATOM 0 HA PRO A 46 5.766 -4.816 6.099 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.401 -6.842 4.332 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.770 -6.652 4.943 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.904 -5.851 2.289 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.316 -6.488 2.667 1.00 0.47 H new ATOM 0 HD2 PRO A 46 4.809 -3.811 2.200 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.453 -4.389 3.149 1.00 0.41 H new ATOM 699 N PRO A 47 8.117 -4.172 5.993 1.00 0.74 N ATOM 700 CA PRO A 47 9.558 -3.889 5.984 1.00 0.81 C ATOM 701 C PRO A 47 10.397 -5.158 5.889 1.00 0.87 C ATOM 702 O PRO A 47 11.533 -5.128 5.413 1.00 1.53 O ATOM 703 CB PRO A 47 9.793 -3.166 7.308 1.00 0.98 C ATOM 704 CG PRO A 47 8.693 -3.620 8.205 1.00 1.03 C ATOM 705 CD PRO A 47 7.519 -3.966 7.324 1.00 0.85 C ATOM 0 HA PRO A 47 9.854 -3.299 5.117 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.769 -3.416 7.725 1.00 0.98 H new ATOM 0 HB3 PRO A 47 9.771 -2.084 7.175 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.005 -4.486 8.789 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.425 -2.836 8.914 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.008 -4.863 7.675 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.781 -3.164 7.310 1.00 0.85 H new ATOM 713 N ASP A 48 9.834 -6.273 6.344 1.00 1.32 N ATOM 714 CA ASP A 48 10.532 -7.554 6.309 1.00 1.46 C ATOM 715 C ASP A 48 11.080 -7.826 4.913 1.00 1.48 C ATOM 716 O ASP A 48 10.325 -8.120 3.986 1.00 2.18 O ATOM 717 CB ASP A 48 9.584 -8.675 6.721 1.00 2.16 C ATOM 718 CG ASP A 48 8.283 -8.580 5.936 1.00 2.56 C ATOM 719 OD1 ASP A 48 7.515 -7.623 6.167 1.00 3.01 O ATOM 720 OD2 ASP A 48 8.034 -9.464 5.089 1.00 3.03 O ATOM 0 H ASP A 48 8.896 -6.316 6.742 1.00 1.32 H new ATOM 0 HA ASP A 48 11.366 -7.514 7.009 1.00 1.46 H new ATOM 0 HB2 ASP A 48 10.054 -9.642 6.543 1.00 2.16 H new ATOM 0 HB3 ASP A 48 9.378 -8.612 7.789 1.00 2.16 H new ATOM 725 N SER A 49 12.397 -7.723 4.771 1.00 1.59 N ATOM 726 CA SER A 49 13.048 -7.955 3.487 1.00 2.11 C ATOM 727 C SER A 49 12.973 -9.426 3.101 1.00 1.90 C ATOM 728 O SER A 49 12.773 -10.293 3.951 1.00 2.33 O ATOM 729 CB SER A 49 14.507 -7.513 3.557 1.00 3.03 C ATOM 730 OG SER A 49 14.599 -6.098 3.587 1.00 3.81 O ATOM 0 H SER A 49 13.035 -7.480 5.529 1.00 1.59 H new ATOM 0 HA SER A 49 12.528 -7.371 2.727 1.00 2.11 H new ATOM 0 HB2 SER A 49 14.977 -7.932 4.446 1.00 3.03 H new ATOM 0 HB3 SER A 49 15.052 -7.900 2.696 1.00 3.03 H new ATOM 0 HG SER A 49 15.541 -5.832 3.634 1.00 3.81 H new ATOM 736 N GLU A 50 13.137 -9.698 1.810 1.00 1.92 N ATOM 737 CA GLU A 50 13.091 -11.062 1.298 1.00 2.27 C ATOM 738 C GLU A 50 13.388 -11.076 -0.197 1.00 2.09 C ATOM 739 O GLU A 50 13.901 -10.100 -0.744 1.00 2.74 O ATOM 740 CB GLU A 50 11.718 -11.677 1.569 1.00 3.06 C ATOM 741 CG GLU A 50 10.628 -11.027 0.721 1.00 3.83 C ATOM 742 CD GLU A 50 9.319 -11.792 0.864 1.00 4.43 C ATOM 743 OE1 GLU A 50 9.368 -13.012 1.131 1.00 4.75 O ATOM 744 OE2 GLU A 50 8.246 -11.173 0.708 1.00 4.97 O ATOM 0 H GLU A 50 13.304 -8.988 1.097 1.00 1.92 H new ATOM 0 HA GLU A 50 13.850 -11.654 1.809 1.00 2.27 H new ATOM 0 HB2 GLU A 50 11.751 -12.746 1.361 1.00 3.06 H new ATOM 0 HB3 GLU A 50 11.472 -11.566 2.625 1.00 3.06 H new ATOM 0 HG2 GLU A 50 10.487 -9.991 1.030 1.00 3.83 H new ATOM 0 HG3 GLU A 50 10.934 -11.009 -0.325 1.00 3.83 H new ATOM 751 N LYS A 51 13.064 -12.183 -0.854 1.00 1.76 N ATOM 752 CA LYS A 51 13.297 -12.317 -2.287 1.00 1.77 C ATOM 753 C LYS A 51 12.610 -11.187 -3.045 1.00 1.55 C ATOM 754 O LYS A 51 13.252 -10.444 -3.787 1.00 2.20 O ATOM 755 CB LYS A 51 12.775 -13.663 -2.780 1.00 2.14 C ATOM 756 CG LYS A 51 12.947 -13.811 -4.290 1.00 2.60 C ATOM 757 CD LYS A 51 13.250 -15.255 -4.681 1.00 3.36 C ATOM 758 CE LYS A 51 13.351 -15.417 -6.196 1.00 4.12 C ATOM 759 NZ LYS A 51 12.061 -15.086 -6.863 1.00 4.81 N ATOM 0 H LYS A 51 12.639 -13.001 -0.417 1.00 1.76 H new ATOM 0 HA LYS A 51 14.370 -12.262 -2.470 1.00 1.77 H new ATOM 0 HB2 LYS A 51 13.305 -14.468 -2.272 1.00 2.14 H new ATOM 0 HB3 LYS A 51 11.721 -13.762 -2.521 1.00 2.14 H new ATOM 0 HG2 LYS A 51 12.040 -13.479 -4.795 1.00 2.60 H new ATOM 0 HG3 LYS A 51 13.755 -13.164 -4.630 1.00 2.60 H new ATOM 0 HD2 LYS A 51 14.185 -15.570 -4.218 1.00 3.36 H new ATOM 0 HD3 LYS A 51 12.468 -15.909 -4.296 1.00 3.36 H new ATOM 0 HE2 LYS A 51 14.139 -14.770 -6.581 1.00 4.12 H new ATOM 0 HE3 LYS A 51 13.635 -16.442 -6.436 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 12.074 -15.441 -7.840 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 11.277 -15.531 -6.344 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 11.929 -14.054 -6.871 1.00 4.81 H new ATOM 773 N SER A 52 11.300 -11.064 -2.854 1.00 1.19 N ATOM 774 CA SER A 52 10.523 -10.024 -3.521 1.00 1.04 C ATOM 775 C SER A 52 9.864 -9.107 -2.498 1.00 0.92 C ATOM 776 O SER A 52 9.816 -9.420 -1.308 1.00 1.19 O ATOM 777 CB SER A 52 9.458 -10.660 -4.409 1.00 1.25 C ATOM 778 OG SER A 52 8.600 -9.667 -4.949 1.00 2.03 O ATOM 0 H SER A 52 10.754 -11.671 -2.243 1.00 1.19 H new ATOM 0 HA SER A 52 11.197 -9.429 -4.137 1.00 1.04 H new ATOM 0 HB2 SER A 52 9.935 -11.215 -5.217 1.00 1.25 H new ATOM 0 HB3 SER A 52 8.875 -11.377 -3.831 1.00 1.25 H new ATOM 0 HG SER A 52 7.924 -10.092 -5.517 1.00 2.03 H new ATOM 784 N ASN A 53 9.356 -7.973 -2.970 1.00 0.68 N ATOM 785 CA ASN A 53 8.697 -7.005 -2.098 1.00 0.61 C ATOM 786 C ASN A 53 7.249 -6.813 -2.523 1.00 0.59 C ATOM 787 O ASN A 53 6.969 -6.135 -3.510 1.00 0.99 O ATOM 788 CB ASN A 53 9.431 -5.668 -2.156 1.00 0.60 C ATOM 789 CG ASN A 53 9.871 -5.240 -0.760 1.00 0.89 C ATOM 790 OD1 ASN A 53 9.923 -6.052 0.164 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.189 -3.960 -0.608 1.00 1.28 N ATOM 0 H ASN A 53 9.388 -7.701 -3.953 1.00 0.68 H new ATOM 0 HA ASN A 53 8.719 -7.384 -1.076 1.00 0.61 H new ATOM 0 HB2 ASN A 53 10.300 -5.752 -2.808 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.780 -4.908 -2.588 1.00 0.60 H new ATOM 0 HD21 ASN A 53 10.491 -3.614 0.303 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.131 -3.322 -1.402 1.00 1.28 H new ATOM 798 N LEU A 54 6.330 -7.413 -1.777 1.00 0.55 N ATOM 799 CA LEU A 54 4.909 -7.304 -2.087 1.00 0.51 C ATOM 800 C LEU A 54 4.187 -6.482 -1.028 1.00 0.44 C ATOM 801 O LEU A 54 4.012 -6.930 0.105 1.00 0.57 O ATOM 802 CB LEU A 54 4.289 -8.694 -2.176 1.00 0.65 C ATOM 803 CG LEU A 54 3.961 -9.069 -3.618 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.137 -9.790 -4.271 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.700 -9.927 -3.680 1.00 1.49 C ATOM 0 H LEU A 54 6.542 -7.979 -0.955 1.00 0.55 H new ATOM 0 HA LEU A 54 4.803 -6.799 -3.047 1.00 0.51 H new ATOM 0 HB2 LEU A 54 4.977 -9.428 -1.756 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.381 -8.727 -1.575 1.00 0.65 H new ATOM 0 HG LEU A 54 3.775 -8.150 -4.174 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.881 -10.048 -5.299 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.011 -9.138 -4.268 1.00 1.49 H new ATOM 0 HD13 LEU A 54 5.361 -10.700 -3.714 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.485 -10.183 -4.717 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.853 -10.840 -3.105 1.00 1.49 H new ATOM 0 HD23 LEU A 54 1.861 -9.371 -3.262 1.00 1.49 H new ATOM 817 N ILE A 55 3.761 -5.282 -1.406 1.00 0.31 N ATOM 818 CA ILE A 55 3.047 -4.403 -0.487 1.00 0.26 C ATOM 819 C ILE A 55 1.603 -4.865 -0.347 1.00 0.27 C ATOM 820 O ILE A 55 1.044 -5.463 -1.269 1.00 0.34 O ATOM 821 CB ILE A 55 3.090 -2.966 -0.993 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.526 -2.554 -1.319 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.472 -2.019 0.029 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.618 -1.089 -1.744 1.00 0.35 C ATOM 0 H ILE A 55 3.897 -4.896 -2.340 1.00 0.31 H new ATOM 0 HA ILE A 55 3.530 -4.444 0.489 1.00 0.26 H new ATOM 0 HB ILE A 55 2.503 -2.905 -1.910 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.158 -2.719 -0.446 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.913 -3.188 -2.117 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.512 -0.998 -0.350 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.434 -2.300 0.205 1.00 0.31 H new ATOM 0 HG23 ILE A 55 3.028 -2.080 0.965 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.655 -0.839 -1.966 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.008 -0.929 -2.633 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.256 -0.452 -0.936 1.00 0.35 H new ATOM 836 N ARG A 56 1.003 -4.599 0.809 1.00 0.29 N ATOM 837 CA ARG A 56 -0.374 -5.007 1.060 1.00 0.32 C ATOM 838 C ARG A 56 -1.290 -3.801 1.218 1.00 0.29 C ATOM 839 O ARG A 56 -0.978 -2.854 1.941 1.00 0.42 O ATOM 840 CB ARG A 56 -0.440 -5.871 2.315 1.00 0.42 C ATOM 841 CG ARG A 56 0.473 -7.088 2.202 1.00 0.55 C ATOM 842 CD ARG A 56 1.699 -6.956 3.101 1.00 0.84 C ATOM 843 NE ARG A 56 2.390 -8.234 3.211 1.00 1.44 N ATOM 844 CZ ARG A 56 1.902 -9.230 3.943 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.133 -9.271 5.248 1.00 2.19 N ATOM 846 NH2 ARG A 56 1.184 -10.187 3.370 1.00 2.33 N ATOM 0 H ARG A 56 1.447 -4.105 1.583 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.716 -5.583 0.200 1.00 0.32 H new ATOM 0 HB2 ARG A 56 -0.152 -5.277 3.183 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.467 -6.198 2.479 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.082 -7.986 2.472 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.792 -7.210 1.167 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.375 -6.204 2.696 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.397 -6.613 4.090 1.00 0.84 H new ATOM 0 HE ARG A 56 3.270 -8.368 2.714 1.00 1.44 H new ATOM 0 HH11 ARG A 56 2.686 -8.537 5.691 1.00 2.19 H new ATOM 0 HH12 ARG A 56 1.758 -10.036 5.809 1.00 2.19 H new ATOM 0 HH21 ARG A 56 1.006 -10.159 2.366 1.00 2.33 H new ATOM 0 HH22 ARG A 56 0.810 -10.951 3.933 1.00 2.33 H new ATOM 860 N ILE A 57 -2.430 -3.855 0.541 1.00 0.24 N ATOM 861 CA ILE A 57 -3.423 -2.787 0.596 1.00 0.24 C ATOM 862 C ILE A 57 -4.814 -3.389 0.731 1.00 0.26 C ATOM 863 O ILE A 57 -5.198 -4.253 -0.054 1.00 0.40 O ATOM 864 CB ILE A 57 -3.347 -1.934 -0.665 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.901 -1.541 -0.963 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.222 -0.693 -0.532 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.352 -0.583 0.090 1.00 1.32 C ATOM 0 H ILE A 57 -2.693 -4.636 -0.060 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.218 -2.155 1.460 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.721 -2.527 -1.499 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.280 -2.436 -1.001 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.845 -1.073 -1.946 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.152 -0.099 -1.443 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.258 -0.993 -0.373 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.883 -0.098 0.316 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.322 -0.325 -0.155 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.958 0.323 0.109 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.384 -1.061 1.069 1.00 1.32 H new ATOM 879 N GLU A 58 -5.568 -2.947 1.734 1.00 0.23 N ATOM 880 CA GLU A 58 -6.910 -3.474 1.953 1.00 0.25 C ATOM 881 C GLU A 58 -7.832 -2.406 2.519 1.00 0.24 C ATOM 882 O GLU A 58 -7.440 -1.611 3.370 1.00 0.26 O ATOM 883 CB GLU A 58 -6.845 -4.665 2.909 1.00 0.32 C ATOM 884 CG GLU A 58 -8.230 -5.218 3.241 1.00 0.37 C ATOM 885 CD GLU A 58 -8.233 -5.831 4.635 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.141 -5.974 5.226 1.00 1.56 O ATOM 887 OE2 GLU A 58 -9.327 -6.170 5.136 1.00 1.47 O ATOM 0 H GLU A 58 -5.276 -2.233 2.401 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.313 -3.796 0.993 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.239 -5.453 2.463 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.347 -4.362 3.830 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.971 -4.420 3.185 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.515 -5.970 2.505 1.00 0.37 H new ATOM 894 N GLY A 59 -9.067 -2.410 2.036 1.00 0.25 N ATOM 895 CA GLY A 59 -10.077 -1.461 2.475 1.00 0.27 C ATOM 896 C GLY A 59 -11.462 -2.033 2.229 1.00 0.39 C ATOM 897 O GLY A 59 -11.830 -3.057 2.806 1.00 0.59 O ATOM 0 H GLY A 59 -9.395 -3.070 1.331 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.947 -1.242 3.535 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.962 -0.519 1.938 1.00 0.27 H new ATOM 901 N ASP A 60 -12.224 -1.385 1.358 1.00 0.53 N ATOM 902 CA ASP A 60 -13.562 -1.857 1.038 1.00 0.70 C ATOM 903 C ASP A 60 -14.133 -1.116 -0.161 1.00 0.59 C ATOM 904 O ASP A 60 -14.397 -1.716 -1.203 1.00 1.04 O ATOM 905 CB ASP A 60 -14.483 -1.683 2.240 1.00 1.22 C ATOM 906 CG ASP A 60 -14.945 -3.040 2.753 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.358 -3.880 1.926 1.00 2.66 O ATOM 908 OD2 ASP A 60 -14.892 -3.263 3.981 1.00 2.31 O ATOM 0 H ASP A 60 -11.941 -0.538 0.865 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.494 -2.915 0.786 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.961 -1.146 3.032 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.346 -1.079 1.961 1.00 1.22 H new ATOM 913 N PRO A 61 -14.336 0.203 -0.033 1.00 0.72 N ATOM 914 CA PRO A 61 -14.884 1.011 -1.124 1.00 1.14 C ATOM 915 C PRO A 61 -13.875 1.195 -2.248 1.00 0.88 C ATOM 916 O PRO A 61 -12.804 0.588 -2.238 1.00 1.22 O ATOM 917 CB PRO A 61 -15.228 2.336 -0.452 1.00 1.82 C ATOM 918 CG PRO A 61 -14.325 2.419 0.734 1.00 1.82 C ATOM 919 CD PRO A 61 -14.048 1.006 1.170 1.00 1.17 C ATOM 0 HA PRO A 61 -15.747 0.545 -1.599 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.067 3.175 -1.129 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.276 2.365 -0.152 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.398 2.933 0.479 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.794 2.987 1.538 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -13.015 0.883 1.495 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.682 0.714 2.007 1.00 1.17 H new ATOM 927 N GLN A 62 -14.217 2.038 -3.214 1.00 0.64 N ATOM 928 CA GLN A 62 -13.337 2.301 -4.343 1.00 0.47 C ATOM 929 C GLN A 62 -11.982 2.827 -3.869 1.00 0.41 C ATOM 930 O GLN A 62 -11.002 2.796 -4.614 1.00 0.47 O ATOM 931 CB GLN A 62 -13.984 3.316 -5.280 1.00 0.69 C ATOM 932 CG GLN A 62 -15.125 2.691 -6.080 1.00 0.85 C ATOM 933 CD GLN A 62 -16.392 3.524 -5.933 1.00 1.34 C ATOM 934 OE1 GLN A 62 -16.709 4.348 -6.791 1.00 2.14 O ATOM 935 NE2 GLN A 62 -17.118 3.309 -4.842 1.00 1.73 N ATOM 0 H GLN A 62 -15.098 2.551 -3.237 1.00 0.64 H new ATOM 0 HA GLN A 62 -13.176 1.364 -4.876 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.363 4.158 -4.700 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.233 3.712 -5.964 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.846 2.623 -7.132 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.308 1.674 -5.732 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.817 2.616 -4.157 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -17.977 3.837 -4.689 1.00 1.73 H new ATOM 944 N GLY A 63 -11.935 3.321 -2.635 1.00 0.37 N ATOM 945 CA GLY A 63 -10.709 3.867 -2.068 1.00 0.34 C ATOM 946 C GLY A 63 -9.570 2.850 -2.063 1.00 0.27 C ATOM 947 O GLY A 63 -8.419 3.208 -2.314 1.00 0.29 O ATOM 0 H GLY A 63 -12.738 3.354 -2.007 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.407 4.745 -2.639 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.900 4.200 -1.048 1.00 0.34 H new ATOM 951 N VAL A 64 -9.878 1.591 -1.761 1.00 0.24 N ATOM 952 CA VAL A 64 -8.844 0.560 -1.712 1.00 0.21 C ATOM 953 C VAL A 64 -8.283 0.268 -3.104 1.00 0.24 C ATOM 954 O VAL A 64 -7.071 0.134 -3.273 1.00 0.28 O ATOM 955 CB VAL A 64 -9.375 -0.721 -1.046 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.171 -1.602 -2.006 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.216 -1.509 -0.447 1.00 0.26 C ATOM 0 H VAL A 64 -10.820 1.263 -1.549 1.00 0.24 H new ATOM 0 HA VAL A 64 -8.025 0.940 -1.102 1.00 0.21 H new ATOM 0 HB VAL A 64 -10.063 -0.413 -0.259 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.520 -2.491 -1.480 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -11.028 -1.045 -2.385 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.534 -1.900 -2.839 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.597 -2.415 0.024 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.513 -1.777 -1.235 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.708 -0.898 0.300 1.00 0.26 H new ATOM 967 N GLN A 65 -9.160 0.173 -4.098 1.00 0.25 N ATOM 968 CA GLN A 65 -8.728 -0.102 -5.466 1.00 0.30 C ATOM 969 C GLN A 65 -8.034 1.117 -6.060 1.00 0.30 C ATOM 970 O GLN A 65 -7.194 0.992 -6.951 1.00 0.34 O ATOM 971 CB GLN A 65 -9.920 -0.499 -6.332 1.00 0.37 C ATOM 972 CG GLN A 65 -10.916 0.645 -6.485 1.00 0.42 C ATOM 973 CD GLN A 65 -11.540 0.622 -7.874 1.00 0.78 C ATOM 974 OE1 GLN A 65 -10.910 0.194 -8.842 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.781 1.083 -7.974 1.00 0.82 N ATOM 0 H GLN A 65 -10.168 0.281 -3.985 1.00 0.25 H new ATOM 0 HA GLN A 65 -8.021 -0.931 -5.442 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.567 -0.808 -7.316 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.421 -1.360 -5.888 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.695 0.561 -5.728 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.413 1.598 -6.321 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -13.265 1.428 -7.145 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -13.250 1.092 -8.880 1.00 0.82 H new ATOM 984 N GLN A 66 -8.385 2.298 -5.560 1.00 0.29 N ATOM 985 CA GLN A 66 -7.791 3.539 -6.040 1.00 0.31 C ATOM 986 C GLN A 66 -6.395 3.713 -5.455 1.00 0.29 C ATOM 987 O GLN A 66 -5.484 4.196 -6.128 1.00 0.36 O ATOM 988 CB GLN A 66 -8.668 4.727 -5.655 1.00 0.35 C ATOM 989 CG GLN A 66 -9.339 5.347 -6.876 1.00 0.79 C ATOM 990 CD GLN A 66 -9.732 6.791 -6.589 1.00 1.10 C ATOM 991 OE1 GLN A 66 -8.939 7.711 -6.783 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.961 6.989 -6.125 1.00 1.31 N ATOM 0 H GLN A 66 -9.078 2.421 -4.822 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.717 3.493 -7.126 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.430 4.403 -4.946 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.062 5.479 -5.151 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -8.662 5.310 -7.729 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.223 4.769 -7.146 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.585 6.195 -5.979 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.280 7.935 -5.914 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.233 3.308 -4.200 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.946 3.409 -3.522 1.00 0.27 C ATOM 1003 C ALA A 67 -4.008 2.318 -4.019 1.00 0.26 C ATOM 1004 O ALA A 67 -2.821 2.559 -4.242 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.136 3.285 -2.014 1.00 0.29 C ATOM 0 H ALA A 67 -6.978 2.906 -3.631 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.507 4.382 -3.743 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.169 3.362 -1.518 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.789 4.084 -1.663 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.587 2.320 -1.782 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.550 1.118 -4.198 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.767 -0.014 -4.678 1.00 0.28 C ATOM 1013 C LYS A 68 -3.196 0.293 -6.056 1.00 0.31 C ATOM 1014 O LYS A 68 -2.025 0.029 -6.328 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.640 -1.264 -4.742 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.849 -2.480 -5.212 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.480 -3.117 -6.446 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.464 -3.929 -7.243 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.758 -3.882 -8.702 1.00 0.88 N ATOM 0 H LYS A 68 -5.531 0.904 -4.017 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.944 -0.192 -3.986 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -5.063 -1.463 -3.757 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.476 -1.090 -5.419 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.825 -2.183 -5.438 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.798 -3.215 -4.408 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.304 -3.763 -6.141 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.903 -2.339 -7.081 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.462 -3.542 -7.059 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.474 -4.964 -6.901 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.060 -4.457 -9.215 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.712 -4.258 -8.876 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -3.708 -2.898 -9.035 1.00 0.88 H new ATOM 1033 N ARG A 69 -4.032 0.862 -6.919 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.615 1.219 -8.270 1.00 0.43 C ATOM 1035 C ARG A 69 -2.720 2.449 -8.229 1.00 0.42 C ATOM 1036 O ARG A 69 -1.843 2.621 -9.076 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.838 1.498 -9.138 1.00 0.50 C ATOM 1038 CG ARG A 69 -5.286 0.251 -9.891 1.00 1.02 C ATOM 1039 CD ARG A 69 -6.261 0.593 -11.012 1.00 1.36 C ATOM 1040 NE ARG A 69 -5.828 -0.017 -12.264 1.00 1.81 N ATOM 1041 CZ ARG A 69 -6.050 -1.300 -12.529 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -7.273 -1.798 -12.414 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -5.051 -2.084 -12.908 1.00 2.98 N ATOM 0 H ARG A 69 -5.004 1.086 -6.706 1.00 0.36 H new ATOM 0 HA ARG A 69 -3.058 0.386 -8.699 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.654 1.859 -8.513 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.607 2.291 -9.850 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -4.415 -0.256 -10.307 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -5.758 -0.444 -9.197 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -7.260 0.241 -10.754 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -6.325 1.675 -11.130 1.00 1.36 H new ATOM 0 HE ARG A 69 -5.342 0.556 -12.954 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -8.043 -1.196 -12.122 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -7.444 -2.783 -12.617 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -4.109 -1.703 -12.997 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -5.224 -3.069 -13.111 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.950 3.301 -7.236 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.168 4.519 -7.070 1.00 0.43 C ATOM 1059 C GLU A 70 -0.706 4.178 -6.817 1.00 0.44 C ATOM 1060 O GLU A 70 0.193 4.910 -7.228 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.723 5.334 -5.906 1.00 0.44 C ATOM 1062 CG GLU A 70 -1.910 6.603 -5.667 1.00 0.59 C ATOM 1063 CD GLU A 70 -2.319 7.687 -6.654 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -1.894 7.615 -7.827 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -3.062 8.608 -6.254 1.00 1.50 O ATOM 0 H GLU A 70 -3.675 3.169 -6.531 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.235 5.109 -7.984 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.760 5.599 -6.110 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.721 4.725 -5.002 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.063 6.954 -4.647 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -0.847 6.387 -5.773 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.478 3.058 -6.138 1.00 0.40 N ATOM 1073 CA LEU A 71 0.876 2.612 -5.828 1.00 0.47 C ATOM 1074 C LEU A 71 1.457 1.827 -6.997 1.00 0.52 C ATOM 1075 O LEU A 71 2.568 2.101 -7.450 1.00 0.60 O ATOM 1076 CB LEU A 71 0.865 1.743 -4.575 1.00 0.51 C ATOM 1077 CG LEU A 71 0.592 2.566 -3.319 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.047 1.702 -2.236 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.875 3.213 -2.807 1.00 1.15 C ATOM 0 H LEU A 71 -1.214 2.442 -5.792 1.00 0.40 H new ATOM 0 HA LEU A 71 1.499 3.489 -5.650 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.104 0.969 -4.676 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.824 1.235 -4.476 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.108 3.360 -3.578 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.233 2.308 -1.350 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -0.990 1.297 -2.603 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.625 0.883 -1.981 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.657 3.795 -1.911 1.00 1.15 H new ATOM 0 HD22 LEU A 71 2.603 2.438 -2.568 1.00 1.15 H new ATOM 0 HD23 LEU A 71 2.283 3.869 -3.575 1.00 1.15 H new ATOM 1091 N LEU A 72 0.700 0.849 -7.483 1.00 0.52 N ATOM 1092 CA LEU A 72 1.140 0.024 -8.600 1.00 0.63 C ATOM 1093 C LEU A 72 1.566 0.897 -9.774 1.00 0.67 C ATOM 1094 O LEU A 72 2.389 0.493 -10.595 1.00 0.83 O ATOM 1095 CB LEU A 72 0.015 -0.915 -9.031 1.00 0.66 C ATOM 1096 CG LEU A 72 0.523 -2.336 -9.252 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.596 -3.349 -9.035 1.00 1.04 C ATOM 1098 CD2 LEU A 72 1.122 -2.484 -10.649 1.00 1.99 C ATOM 0 H LEU A 72 -0.222 0.609 -7.120 1.00 0.52 H new ATOM 0 HA LEU A 72 1.997 -0.568 -8.277 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.766 -0.921 -8.270 1.00 0.66 H new ATOM 0 HB3 LEU A 72 -0.438 -0.543 -9.950 1.00 0.66 H new ATOM 0 HG LEU A 72 1.308 -2.534 -8.522 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.212 -4.356 -9.198 1.00 1.04 H new ATOM 0 HD12 LEU A 72 -0.971 -3.264 -8.015 1.00 1.04 H new ATOM 0 HD13 LEU A 72 -1.406 -3.152 -9.737 1.00 1.04 H new ATOM 0 HD21 LEU A 72 1.478 -3.505 -10.786 1.00 1.99 H new ATOM 0 HD22 LEU A 72 0.361 -2.262 -11.397 1.00 1.99 H new ATOM 0 HD23 LEU A 72 1.955 -1.791 -10.763 1.00 1.99 H new ATOM 1110 N GLU A 73 0.999 2.098 -9.849 1.00 0.64 N ATOM 1111 CA GLU A 73 1.318 3.032 -10.923 1.00 0.74 C ATOM 1112 C GLU A 73 2.463 3.950 -10.512 1.00 0.71 C ATOM 1113 O GLU A 73 3.562 3.874 -11.062 1.00 0.88 O ATOM 1114 CB GLU A 73 0.088 3.865 -11.272 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.656 3.293 -12.476 1.00 1.00 C ATOM 1116 CD GLU A 73 0.162 3.485 -13.746 1.00 1.41 C ATOM 1117 OE1 GLU A 73 0.712 4.589 -13.940 1.00 2.01 O ATOM 1118 OE2 GLU A 73 0.253 2.528 -14.545 1.00 2.05 O ATOM 0 H GLU A 73 0.315 2.447 -9.177 1.00 0.64 H new ATOM 0 HA GLU A 73 1.626 2.460 -11.798 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.582 3.902 -10.413 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.391 4.890 -11.484 1.00 0.82 H new ATOM 0 HG2 GLU A 73 -0.853 2.232 -12.320 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.623 3.785 -12.581 1.00 1.00 H new ATOM 1125 N LEU A 74 2.196 4.823 -9.544 1.00 0.64 N ATOM 1126 CA LEU A 74 3.201 5.761 -9.058 1.00 0.71 C ATOM 1127 C LEU A 74 4.434 5.016 -8.562 1.00 0.82 C ATOM 1128 O LEU A 74 5.527 5.177 -9.104 1.00 1.13 O ATOM 1129 CB LEU A 74 2.620 6.611 -7.934 1.00 0.85 C ATOM 1130 CG LEU A 74 1.505 7.521 -8.442 1.00 0.99 C ATOM 1131 CD1 LEU A 74 0.929 8.358 -7.303 1.00 1.19 C ATOM 1132 CD2 LEU A 74 2.012 8.418 -9.568 1.00 1.32 C ATOM 0 H LEU A 74 1.290 4.899 -9.081 1.00 0.64 H new ATOM 0 HA LEU A 74 3.496 6.410 -9.882 1.00 0.71 H new ATOM 0 HB2 LEU A 74 2.232 5.962 -7.149 1.00 0.85 H new ATOM 0 HB3 LEU A 74 3.410 7.215 -7.488 1.00 0.85 H new ATOM 0 HG LEU A 74 0.708 6.893 -8.839 1.00 0.99 H new ATOM 0 HD11 LEU A 74 0.136 8.999 -7.688 1.00 1.19 H new ATOM 0 HD12 LEU A 74 0.523 7.698 -6.536 1.00 1.19 H new ATOM 0 HD13 LEU A 74 1.717 8.975 -6.870 1.00 1.19 H new ATOM 0 HD21 LEU A 74 1.202 9.059 -9.916 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.831 9.036 -9.200 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.366 7.801 -10.394 1.00 1.32 H new ATOM 1144 N ALA A 75 4.251 4.198 -7.532 1.00 0.78 N ATOM 1145 CA ALA A 75 5.349 3.425 -6.967 1.00 0.99 C ATOM 1146 C ALA A 75 5.957 2.519 -8.028 1.00 1.70 C ATOM 1147 O ALA A 75 7.144 2.619 -8.338 1.00 2.16 O ATOM 1148 CB ALA A 75 4.852 2.588 -5.792 1.00 1.14 C ATOM 0 H ALA A 75 3.352 4.053 -7.072 1.00 0.78 H new ATOM 0 HA ALA A 75 6.114 4.115 -6.612 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.681 2.014 -5.377 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.445 3.245 -5.023 1.00 1.14 H new ATOM 0 HB3 ALA A 75 4.074 1.906 -6.135 1.00 1.14 H new