USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=8 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= -11.8! C(o=-17!,f=-16!) USER MOD Set 1.2: A 53 ASN : amide:sc= -5.71! C(o=-17!,f=-16!) USER MOD Single : A 9 MET CE :methyl -156:sc= -0.0765 (180deg=-1.14) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.175 K(o=-0.17,f=-1.9) USER MOD Single : A 18 HIS : no HD1:sc= -0.0688 X(o=-0.069,f=-0.069) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.47) 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= -0.11 X(o=-0.11,f=-0.45) USER MOD Single : A 33 ASN : amide:sc= 0.119 X(o=0.12,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.8!) USER MOD Single : A 39 TYR OH : rot 165:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc=-0.00481 USER MOD Single : A 49 SER OG : rot -82:sc= 0.253 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 11:sc= 0.8 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.13) USER MOD Single : A 66 GLN : amide:sc= -0.255 X(o=-0.25,f=-0.034) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -15.831 -5.927 2.057 1.00 1.18 N ATOM 59 CA MET A 9 -14.465 -5.418 2.111 1.00 0.82 C ATOM 60 C MET A 9 -13.661 -5.928 0.922 1.00 0.72 C ATOM 61 O MET A 9 -14.192 -6.621 0.055 1.00 0.97 O ATOM 62 CB MET A 9 -13.798 -5.850 3.412 1.00 1.08 C ATOM 63 CG MET A 9 -13.702 -7.369 3.517 1.00 1.61 C ATOM 64 SD MET A 9 -13.840 -7.954 5.215 1.00 2.27 S ATOM 65 CE MET A 9 -12.885 -6.701 6.085 1.00 2.82 C ATOM 0 HA MET A 9 -14.498 -4.329 2.071 1.00 0.82 H new ATOM 0 HB2 MET A 9 -12.799 -5.417 3.471 1.00 1.08 H new ATOM 0 HB3 MET A 9 -14.364 -5.461 4.258 1.00 1.08 H new ATOM 0 HG2 MET A 9 -14.490 -7.822 2.915 1.00 1.61 H new ATOM 0 HG3 MET A 9 -12.751 -7.699 3.099 1.00 1.61 H new ATOM 0 HE1 MET A 9 -12.515 -7.113 7.024 1.00 2.82 H new ATOM 0 HE2 MET A 9 -12.042 -6.392 5.467 1.00 2.82 H new ATOM 0 HE3 MET A 9 -13.519 -5.839 6.292 1.00 2.82 H new ATOM 75 N ASP A 10 -12.379 -5.580 0.886 1.00 0.49 N ATOM 76 CA ASP A 10 -11.505 -6.005 -0.202 1.00 0.42 C ATOM 77 C ASP A 10 -10.041 -5.909 0.214 1.00 0.38 C ATOM 78 O ASP A 10 -9.688 -5.147 1.114 1.00 0.54 O ATOM 79 CB ASP A 10 -11.755 -5.139 -1.437 1.00 0.44 C ATOM 80 CG ASP A 10 -12.888 -4.151 -1.184 1.00 0.86 C ATOM 81 OD1 ASP A 10 -12.683 -3.196 -0.404 1.00 1.53 O ATOM 82 OD2 ASP A 10 -13.977 -4.333 -1.767 1.00 1.55 O ATOM 0 H ASP A 10 -11.923 -5.006 1.595 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.728 -7.045 -0.440 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -10.846 -4.598 -1.697 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -12.003 -5.774 -2.288 1.00 0.44 H new ATOM 87 N TYR A 11 -9.198 -6.685 -0.455 1.00 0.40 N ATOM 88 CA TYR A 11 -7.768 -6.694 -0.170 1.00 0.37 C ATOM 89 C TYR A 11 -6.980 -6.998 -1.438 1.00 0.34 C ATOM 90 O TYR A 11 -7.488 -7.645 -2.354 1.00 0.38 O ATOM 91 CB TYR A 11 -7.451 -7.732 0.907 1.00 0.42 C ATOM 92 CG TYR A 11 -7.562 -9.155 0.419 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.554 -9.708 -0.350 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.676 -9.914 0.736 1.00 0.54 C ATOM 95 CE1 TYR A 11 -6.657 -11.013 -0.800 1.00 0.67 C ATOM 96 CE2 TYR A 11 -8.780 -11.218 0.286 1.00 0.63 C ATOM 97 CZ TYR A 11 -7.761 -11.765 -0.474 1.00 0.67 C ATOM 98 OH TYR A 11 -7.873 -13.060 -0.928 1.00 0.78 O ATOM 0 H TYR A 11 -9.481 -7.319 -1.202 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.479 -5.709 0.195 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.441 -7.561 1.280 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -8.129 -7.590 1.748 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.684 -9.120 -0.600 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.466 -9.487 1.336 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -5.872 -11.440 -1.406 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.653 -11.807 0.527 1.00 0.63 H new ATOM 0 HH TYR A 11 -8.713 -13.448 -0.605 1.00 0.78 H new ATOM 108 N VAL A 12 -5.740 -6.524 -1.492 1.00 0.34 N ATOM 109 CA VAL A 12 -4.891 -6.747 -2.658 1.00 0.34 C ATOM 110 C VAL A 12 -3.420 -6.685 -2.275 1.00 0.35 C ATOM 111 O VAL A 12 -3.068 -6.269 -1.170 1.00 0.51 O ATOM 112 CB VAL A 12 -5.179 -5.722 -3.770 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.847 -6.407 -4.956 1.00 0.81 C ATOM 114 CG2 VAL A 12 -6.032 -4.548 -3.279 1.00 0.52 C ATOM 0 H VAL A 12 -5.301 -5.985 -0.745 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.121 -7.742 -3.038 1.00 0.34 H new ATOM 0 HB VAL A 12 -4.221 -5.308 -4.084 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -6.046 -5.672 -5.736 1.00 0.81 H new ATOM 0 HG12 VAL A 12 -5.188 -7.182 -5.347 1.00 0.81 H new ATOM 0 HG13 VAL A 12 -6.786 -6.858 -4.634 1.00 0.81 H new ATOM 0 HG21 VAL A 12 -6.206 -3.855 -4.102 1.00 0.52 H new ATOM 0 HG22 VAL A 12 -6.988 -4.921 -2.911 1.00 0.52 H new ATOM 0 HG23 VAL A 12 -5.510 -4.031 -2.473 1.00 0.52 H new ATOM 124 N GLU A 13 -2.568 -7.102 -3.202 1.00 0.49 N ATOM 125 CA GLU A 13 -1.126 -7.103 -2.981 1.00 0.54 C ATOM 126 C GLU A 13 -0.408 -6.636 -4.240 1.00 0.50 C ATOM 127 O GLU A 13 -0.643 -7.162 -5.328 1.00 0.60 O ATOM 128 CB GLU A 13 -0.648 -8.505 -2.602 1.00 0.67 C ATOM 129 CG GLU A 13 -1.664 -9.240 -1.731 1.00 1.05 C ATOM 130 CD GLU A 13 -1.300 -10.714 -1.618 1.00 1.43 C ATOM 131 OE1 GLU A 13 -1.047 -11.347 -2.665 1.00 1.97 O ATOM 132 OE2 GLU A 13 -1.267 -11.234 -0.483 1.00 2.05 O ATOM 0 H GLU A 13 -2.852 -7.446 -4.119 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.897 -6.420 -2.163 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.463 -9.082 -3.508 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.301 -8.433 -2.070 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.695 -8.790 -0.739 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -2.661 -9.137 -2.159 1.00 1.05 H new ATOM 139 N ILE A 14 0.463 -5.643 -4.093 1.00 0.48 N ATOM 140 CA ILE A 14 1.204 -5.110 -5.231 1.00 0.49 C ATOM 141 C ILE A 14 2.658 -5.558 -5.189 1.00 0.48 C ATOM 142 O ILE A 14 3.325 -5.442 -4.161 1.00 0.43 O ATOM 143 CB ILE A 14 1.134 -3.587 -5.234 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.598 -3.027 -3.894 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.277 -3.107 -5.556 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.733 -1.507 -3.939 1.00 0.63 C ATOM 0 H ILE A 14 0.673 -5.193 -3.202 1.00 0.48 H new ATOM 0 HA ILE A 14 0.749 -5.494 -6.144 1.00 0.49 H new ATOM 0 HB ILE A 14 1.802 -3.219 -6.012 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.888 -3.307 -3.116 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.557 -3.471 -3.625 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.300 -2.017 -5.552 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.570 -3.473 -6.540 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.971 -3.488 -4.806 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.065 -1.142 -2.967 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.462 -1.229 -4.700 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.768 -1.063 -4.182 1.00 0.63 H new ATOM 158 N ASN A 15 3.147 -6.061 -6.319 1.00 0.59 N ATOM 159 CA ASN A 15 4.528 -6.519 -6.419 1.00 0.62 C ATOM 160 C ASN A 15 5.469 -5.324 -6.465 1.00 0.60 C ATOM 161 O ASN A 15 5.252 -4.381 -7.227 1.00 0.78 O ATOM 162 CB ASN A 15 4.708 -7.372 -7.671 1.00 0.79 C ATOM 163 CG ASN A 15 3.889 -8.651 -7.562 1.00 1.31 C ATOM 164 OD1 ASN A 15 2.672 -8.607 -7.382 1.00 2.20 O ATOM 165 ND2 ASN A 15 4.557 -9.793 -7.675 1.00 1.54 N ATOM 0 H ASN A 15 2.607 -6.162 -7.178 1.00 0.59 H new ATOM 0 HA ASN A 15 4.764 -7.124 -5.543 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.399 -6.808 -8.551 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.762 -7.617 -7.804 1.00 0.79 H new ATOM 0 HD21 ASN A 15 4.061 -10.682 -7.613 1.00 1.54 H new ATOM 0 HD22 ASN A 15 5.566 -9.781 -7.824 1.00 1.54 H new ATOM 172 N ILE A 16 6.512 -5.361 -5.645 1.00 0.49 N ATOM 173 CA ILE A 16 7.477 -4.272 -5.591 1.00 0.49 C ATOM 174 C ILE A 16 8.886 -4.809 -5.372 1.00 0.56 C ATOM 175 O ILE A 16 9.080 -5.789 -4.654 1.00 0.66 O ATOM 176 CB ILE A 16 7.107 -3.316 -4.467 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.638 -2.912 -4.565 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.004 -2.085 -4.490 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.371 -2.060 -5.802 1.00 0.84 C ATOM 0 H ILE A 16 6.710 -6.133 -5.009 1.00 0.49 H new ATOM 0 HA ILE A 16 7.456 -3.741 -6.543 1.00 0.49 H new ATOM 0 HB ILE A 16 7.258 -3.831 -3.518 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.016 -3.806 -4.597 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.352 -2.357 -3.672 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.722 -1.414 -3.678 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.043 -2.390 -4.365 1.00 0.58 H new ATOM 0 HG23 ILE A 16 7.889 -1.569 -5.443 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.315 -1.792 -5.838 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.974 -1.153 -5.757 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.632 -2.625 -6.697 1.00 0.84 H new ATOM 191 N ASP A 17 9.866 -4.164 -5.998 1.00 0.63 N ATOM 192 CA ASP A 17 11.255 -4.585 -5.872 1.00 0.75 C ATOM 193 C ASP A 17 12.198 -3.548 -6.467 1.00 1.00 C ATOM 194 O ASP A 17 12.998 -3.857 -7.349 1.00 1.75 O ATOM 195 CB ASP A 17 11.445 -5.910 -6.585 1.00 1.27 C ATOM 196 CG ASP A 17 10.553 -5.987 -7.817 1.00 1.63 C ATOM 197 OD1 ASP A 17 10.552 -5.024 -8.612 1.00 2.16 O ATOM 198 OD2 ASP A 17 9.857 -7.010 -7.984 1.00 2.21 O ATOM 0 H ASP A 17 9.723 -3.350 -6.596 1.00 0.63 H new ATOM 0 HA ASP A 17 11.489 -4.693 -4.813 1.00 0.75 H new ATOM 0 HB2 ASP A 17 12.489 -6.026 -6.877 1.00 1.27 H new ATOM 0 HB3 ASP A 17 11.211 -6.731 -5.907 1.00 1.27 H new ATOM 203 N HIS A 18 12.105 -2.320 -5.977 1.00 1.27 N ATOM 204 CA HIS A 18 12.957 -1.240 -6.458 1.00 1.85 C ATOM 205 C HIS A 18 13.277 -0.285 -5.320 1.00 1.32 C ATOM 206 O HIS A 18 13.212 0.933 -5.479 1.00 2.00 O ATOM 207 CB HIS A 18 12.261 -0.488 -7.588 1.00 2.83 C ATOM 208 CG HIS A 18 12.209 -1.267 -8.867 1.00 3.48 C ATOM 209 ND1 HIS A 18 13.292 -1.437 -9.689 1.00 4.01 N ATOM 210 CD2 HIS A 18 11.197 -1.933 -9.481 1.00 4.16 C ATOM 211 CE1 HIS A 18 12.978 -2.156 -10.741 1.00 4.73 C ATOM 212 NE2 HIS A 18 11.697 -2.480 -10.648 1.00 4.84 N ATOM 0 H HIS A 18 11.448 -2.046 -5.246 1.00 1.27 H new ATOM 0 HA HIS A 18 13.886 -1.666 -6.836 1.00 1.85 H new ATOM 0 HB2 HIS A 18 11.246 -0.239 -7.280 1.00 2.83 H new ATOM 0 HB3 HIS A 18 12.781 0.454 -7.764 1.00 2.83 H new ATOM 0 HD2 HIS A 18 10.182 -2.020 -9.122 1.00 4.16 H new ATOM 0 HE1 HIS A 18 13.647 -2.435 -11.542 1.00 4.73 H new ATOM 0 HE2 HIS A 18 11.170 -3.037 -11.321 1.00 4.84 H new ATOM 220 N LYS A 19 13.612 -0.849 -4.163 1.00 0.82 N ATOM 221 CA LYS A 19 13.929 -0.048 -2.988 1.00 0.84 C ATOM 222 C LYS A 19 12.805 0.944 -2.719 1.00 0.77 C ATOM 223 O LYS A 19 13.029 2.015 -2.155 1.00 1.13 O ATOM 224 CB LYS A 19 15.245 0.694 -3.198 1.00 1.47 C ATOM 225 CG LYS A 19 16.442 -0.163 -2.794 1.00 1.97 C ATOM 226 CD LYS A 19 17.754 0.604 -2.931 1.00 2.72 C ATOM 227 CE LYS A 19 18.907 -0.132 -2.254 1.00 3.37 C ATOM 228 NZ LYS A 19 20.191 0.085 -2.978 1.00 4.03 N ATOM 0 H LYS A 19 13.671 -1.857 -4.015 1.00 0.82 H new ATOM 0 HA LYS A 19 14.033 -0.708 -2.127 1.00 0.84 H new ATOM 0 HB2 LYS A 19 15.339 0.981 -4.245 1.00 1.47 H new ATOM 0 HB3 LYS A 19 15.242 1.615 -2.614 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.320 -0.496 -1.763 1.00 1.97 H new ATOM 0 HG3 LYS A 19 16.476 -1.058 -3.416 1.00 1.97 H new ATOM 0 HD2 LYS A 19 17.983 0.748 -3.987 1.00 2.72 H new ATOM 0 HD3 LYS A 19 17.645 1.595 -2.490 1.00 2.72 H new ATOM 0 HE2 LYS A 19 19.006 0.212 -1.224 1.00 3.37 H new ATOM 0 HE3 LYS A 19 18.686 -1.199 -2.214 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 20.954 -0.428 -2.493 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 20.103 -0.266 -3.953 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 20.413 1.101 -2.994 1.00 4.03 H new ATOM 242 N PHE A 20 11.595 0.579 -3.136 1.00 0.63 N ATOM 243 CA PHE A 20 10.428 1.435 -2.954 1.00 0.61 C ATOM 244 C PHE A 20 10.134 1.651 -1.476 1.00 0.62 C ATOM 245 O PHE A 20 9.896 2.780 -1.044 1.00 0.95 O ATOM 246 CB PHE A 20 9.216 0.807 -3.631 1.00 0.62 C ATOM 247 CG PHE A 20 8.967 1.335 -5.022 1.00 0.75 C ATOM 248 CD1 PHE A 20 10.028 1.718 -5.826 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.671 1.437 -5.500 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.794 2.200 -7.101 1.00 1.26 C ATOM 251 CE2 PHE A 20 7.439 1.919 -6.777 1.00 1.17 C ATOM 252 CZ PHE A 20 8.499 2.301 -7.577 1.00 1.19 C ATOM 0 H PHE A 20 11.398 -0.306 -3.603 1.00 0.63 H new ATOM 0 HA PHE A 20 10.641 2.403 -3.408 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.355 -0.273 -3.680 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.333 0.987 -3.018 1.00 0.62 H new ATOM 0 HD1 PHE A 20 11.040 1.640 -5.457 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.841 1.140 -4.876 1.00 0.96 H new ATOM 0 HE1 PHE A 20 10.623 2.498 -7.726 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.428 1.997 -7.149 1.00 1.17 H new ATOM 0 HZ PHE A 20 8.317 2.678 -8.573 1.00 1.19 H new ATOM 262 N HIS A 21 10.149 0.569 -0.697 1.00 0.53 N ATOM 263 CA HIS A 21 9.878 0.658 0.737 1.00 0.57 C ATOM 264 C HIS A 21 10.680 1.791 1.358 1.00 0.69 C ATOM 265 O HIS A 21 11.597 2.326 0.734 1.00 1.03 O ATOM 266 CB HIS A 21 10.226 -0.651 1.432 1.00 0.54 C ATOM 267 CG HIS A 21 9.261 -1.752 1.127 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.857 -2.675 2.055 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.609 -2.094 -0.014 1.00 0.44 C ATOM 270 CE1 HIS A 21 8.013 -3.531 1.530 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.836 -3.206 0.260 1.00 0.42 N ATOM 0 H HIS A 21 10.345 -0.374 -1.033 1.00 0.53 H new ATOM 0 HA HIS A 21 8.814 0.857 0.868 1.00 0.57 H new ATOM 0 HB2 HIS A 21 11.227 -0.960 1.132 1.00 0.54 H new ATOM 0 HB3 HIS A 21 10.253 -0.487 2.509 1.00 0.54 H new ATOM 0 HD1 HIS A 21 9.171 -2.694 3.025 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.682 -1.588 -0.965 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.544 -4.357 2.045 1.00 0.45 H new ATOM 279 N ARG A 22 10.325 2.163 2.579 1.00 0.68 N ATOM 280 CA ARG A 22 11.006 3.247 3.272 1.00 0.80 C ATOM 281 C ARG A 22 10.669 4.573 2.603 1.00 0.81 C ATOM 282 O ARG A 22 10.024 5.436 3.197 1.00 0.92 O ATOM 283 CB ARG A 22 12.517 3.024 3.254 1.00 0.93 C ATOM 284 CG ARG A 22 13.156 3.402 4.587 1.00 1.64 C ATOM 285 CD ARG A 22 13.036 2.274 5.608 1.00 2.14 C ATOM 286 NE ARG A 22 13.989 2.470 6.695 1.00 2.73 N ATOM 287 CZ ARG A 22 15.282 2.668 6.464 1.00 3.33 C ATOM 288 NH1 ARG A 22 16.078 1.636 6.216 1.00 3.72 N ATOM 289 NH2 ARG A 22 15.782 3.896 6.481 1.00 3.95 N ATOM 0 H ARG A 22 9.569 1.730 3.110 1.00 0.68 H new ATOM 0 HA ARG A 22 10.670 3.269 4.309 1.00 0.80 H new ATOM 0 HB2 ARG A 22 12.728 1.978 3.032 1.00 0.93 H new ATOM 0 HB3 ARG A 22 12.963 3.616 2.455 1.00 0.93 H new ATOM 0 HG2 ARG A 22 14.208 3.642 4.432 1.00 1.64 H new ATOM 0 HG3 ARG A 22 12.678 4.300 4.978 1.00 1.64 H new ATOM 0 HD2 ARG A 22 12.022 2.241 6.006 1.00 2.14 H new ATOM 0 HD3 ARG A 22 13.219 1.315 5.123 1.00 2.14 H new ATOM 0 HE ARG A 22 13.653 2.455 7.658 1.00 2.73 H new ATOM 0 HH11 ARG A 22 15.697 0.690 6.203 1.00 3.72 H new ATOM 0 HH12 ARG A 22 17.071 1.789 6.039 1.00 3.72 H new ATOM 0 HH21 ARG A 22 15.173 4.692 6.672 1.00 3.95 H new ATOM 0 HH22 ARG A 22 16.775 4.045 6.303 1.00 3.95 H new ATOM 303 N HIS A 23 11.099 4.718 1.352 1.00 0.90 N ATOM 304 CA HIS A 23 10.836 5.925 0.580 1.00 0.98 C ATOM 305 C HIS A 23 9.347 6.248 0.605 1.00 0.96 C ATOM 306 O HIS A 23 8.951 7.396 0.803 1.00 1.12 O ATOM 307 CB HIS A 23 11.300 5.728 -0.862 1.00 1.02 C ATOM 308 CG HIS A 23 12.549 6.488 -1.184 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.799 7.754 -0.726 1.00 1.83 N ATOM 310 CD2 HIS A 23 13.639 6.162 -1.926 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.963 8.187 -1.152 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.508 7.236 -1.892 1.00 1.86 N ATOM 0 H HIS A 23 11.634 4.009 0.851 1.00 0.90 H new ATOM 0 HA HIS A 23 11.385 6.756 1.023 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.471 4.666 -1.041 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.506 6.042 -1.539 1.00 1.02 H new ATOM 0 HD2 HIS A 23 13.798 5.230 -2.449 1.00 1.56 H new ATOM 0 HE1 HIS A 23 14.399 9.151 -0.936 1.00 2.07 H new ATOM 0 HE2 HIS A 23 15.414 7.287 -2.358 1.00 1.86 H new ATOM 320 N LEU A 24 8.527 5.219 0.407 1.00 0.86 N ATOM 321 CA LEU A 24 7.078 5.379 0.410 1.00 0.87 C ATOM 322 C LEU A 24 6.601 5.831 1.782 1.00 0.97 C ATOM 323 O LEU A 24 6.037 6.915 1.927 1.00 1.16 O ATOM 324 CB LEU A 24 6.409 4.056 0.042 1.00 0.73 C ATOM 325 CG LEU A 24 6.117 3.970 -1.453 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.778 2.737 -2.060 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.611 3.957 -1.708 1.00 1.25 C ATOM 0 H LEU A 24 8.844 4.264 0.242 1.00 0.86 H new ATOM 0 HA LEU A 24 6.807 6.137 -0.325 1.00 0.87 H new ATOM 0 HB2 LEU A 24 7.054 3.228 0.335 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.480 3.950 0.601 1.00 0.73 H new ATOM 0 HG LEU A 24 6.536 4.853 -1.935 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.558 2.694 -3.127 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.857 2.794 -1.914 1.00 0.72 H new ATOM 0 HD13 LEU A 24 6.393 1.841 -1.574 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.424 3.895 -2.780 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.165 3.095 -1.212 1.00 1.25 H new ATOM 0 HD23 LEU A 24 4.167 4.872 -1.314 1.00 1.25 H new ATOM 339 N ILE A 25 6.833 4.994 2.788 1.00 0.92 N ATOM 340 CA ILE A 25 6.430 5.304 4.153 1.00 1.10 C ATOM 341 C ILE A 25 7.008 6.644 4.589 1.00 1.41 C ATOM 342 O ILE A 25 6.438 7.332 5.435 1.00 1.91 O ATOM 343 CB ILE A 25 6.902 4.202 5.097 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.426 4.153 5.148 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.338 2.850 4.675 1.00 1.06 C ATOM 346 CD1 ILE A 25 8.918 3.183 6.216 1.00 0.91 C ATOM 0 H ILE A 25 7.300 4.093 2.682 1.00 0.92 H new ATOM 0 HA ILE A 25 5.342 5.366 4.189 1.00 1.10 H new ATOM 0 HB ILE A 25 6.531 4.430 6.096 1.00 0.94 H new ATOM 0 HG12 ILE A 25 8.814 3.852 4.175 1.00 0.90 H new ATOM 0 HG13 ILE A 25 8.817 5.150 5.353 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.688 2.079 5.362 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.249 2.888 4.696 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.674 2.615 3.665 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.008 3.173 6.224 1.00 0.91 H new ATOM 0 HD12 ILE A 25 8.550 3.499 7.192 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.548 2.182 5.996 1.00 0.91 H new ATOM 358 N GLY A 26 8.145 7.009 4.004 1.00 1.49 N ATOM 359 CA GLY A 26 8.806 8.267 4.329 1.00 1.87 C ATOM 360 C GLY A 26 9.945 8.047 5.315 1.00 1.82 C ATOM 361 O GLY A 26 10.638 7.030 5.261 1.00 2.29 O ATOM 0 H GLY A 26 8.628 6.450 3.301 1.00 1.49 H new ATOM 0 HA2 GLY A 26 9.192 8.725 3.418 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.082 8.963 4.753 1.00 1.87 H new ATOM 365 N LYS A 27 10.135 9.003 6.217 1.00 1.86 N ATOM 366 CA LYS A 27 11.191 8.913 7.218 1.00 1.91 C ATOM 367 C LYS A 27 10.837 7.875 8.275 1.00 1.62 C ATOM 368 O LYS A 27 11.535 6.875 8.436 1.00 2.38 O ATOM 369 CB LYS A 27 11.401 10.275 7.878 1.00 2.21 C ATOM 370 CG LYS A 27 12.768 10.861 7.536 1.00 2.65 C ATOM 371 CD LYS A 27 13.828 10.445 8.553 1.00 3.30 C ATOM 372 CE LYS A 27 15.229 10.470 7.947 1.00 3.80 C ATOM 373 NZ LYS A 27 15.737 9.092 7.697 1.00 4.51 N ATOM 0 H LYS A 27 9.571 9.851 6.276 1.00 1.86 H new ATOM 0 HA LYS A 27 12.113 8.607 6.724 1.00 1.91 H new ATOM 0 HB2 LYS A 27 10.619 10.961 7.554 1.00 2.21 H new ATOM 0 HB3 LYS A 27 11.308 10.174 8.959 1.00 2.21 H new ATOM 0 HG2 LYS A 27 13.068 10.531 6.541 1.00 2.65 H new ATOM 0 HG3 LYS A 27 12.701 11.948 7.504 1.00 2.65 H new ATOM 0 HD2 LYS A 27 13.791 11.114 9.413 1.00 3.30 H new ATOM 0 HD3 LYS A 27 13.607 9.443 8.920 1.00 3.30 H new ATOM 0 HE2 LYS A 27 15.213 11.029 7.011 1.00 3.80 H new ATOM 0 HE3 LYS A 27 15.909 10.994 8.619 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 16.691 9.143 7.285 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 15.775 8.568 8.594 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 15.101 8.602 7.037 1.00 4.51 H new ATOM 387 N SER A 28 9.745 8.120 8.993 1.00 1.28 N ATOM 388 CA SER A 28 9.292 7.207 10.036 1.00 1.60 C ATOM 389 C SER A 28 8.111 6.380 9.547 1.00 1.60 C ATOM 390 O SER A 28 8.068 5.165 9.743 1.00 2.28 O ATOM 391 CB SER A 28 8.893 7.995 11.279 1.00 1.99 C ATOM 392 OG SER A 28 9.803 9.066 11.497 1.00 2.57 O ATOM 0 H SER A 28 9.157 8.944 8.871 1.00 1.28 H new ATOM 0 HA SER A 28 10.110 6.532 10.285 1.00 1.60 H new ATOM 0 HB2 SER A 28 7.882 8.386 11.161 1.00 1.99 H new ATOM 0 HB3 SER A 28 8.881 7.336 12.147 1.00 1.99 H new ATOM 0 HG SER A 28 9.535 9.565 12.297 1.00 2.57 H new ATOM 398 N GLY A 29 7.153 7.045 8.910 1.00 1.21 N ATOM 399 CA GLY A 29 5.967 6.373 8.391 1.00 1.23 C ATOM 400 C GLY A 29 4.743 7.272 8.498 1.00 1.36 C ATOM 401 O GLY A 29 3.952 7.152 9.433 1.00 2.05 O ATOM 0 H GLY A 29 7.175 8.051 8.740 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.128 6.094 7.350 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.795 5.450 8.945 1.00 1.23 H new ATOM 405 N ALA A 30 4.593 8.176 7.535 1.00 1.00 N ATOM 406 CA ALA A 30 3.464 9.100 7.521 1.00 1.10 C ATOM 407 C ALA A 30 2.650 8.939 6.244 1.00 1.06 C ATOM 408 O ALA A 30 1.420 8.983 6.272 1.00 1.43 O ATOM 409 CB ALA A 30 3.967 10.536 7.637 1.00 1.27 C ATOM 0 H ALA A 30 5.239 8.288 6.754 1.00 1.00 H new ATOM 0 HA ALA A 30 2.821 8.872 8.371 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.119 11.221 7.626 1.00 1.27 H new ATOM 0 HB2 ALA A 30 4.517 10.655 8.571 1.00 1.27 H new ATOM 0 HB3 ALA A 30 4.625 10.760 6.797 1.00 1.27 H new ATOM 415 N ASN A 31 3.341 8.752 5.122 1.00 0.73 N ATOM 416 CA ASN A 31 2.680 8.583 3.831 1.00 0.69 C ATOM 417 C ASN A 31 1.575 7.538 3.927 1.00 0.60 C ATOM 418 O ASN A 31 0.458 7.757 3.460 1.00 0.58 O ATOM 419 CB ASN A 31 3.699 8.164 2.775 1.00 0.71 C ATOM 420 CG ASN A 31 3.909 9.286 1.767 1.00 1.24 C ATOM 421 OD1 ASN A 31 3.914 10.464 2.124 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.082 8.920 0.501 1.00 1.42 N ATOM 0 H ASN A 31 4.359 8.714 5.081 1.00 0.73 H new ATOM 0 HA ASN A 31 2.234 9.535 3.543 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.646 7.914 3.253 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.353 7.266 2.263 1.00 0.71 H new ATOM 0 HD21 ASN A 31 4.226 9.628 -0.219 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.071 7.931 0.250 1.00 1.42 H new ATOM 429 N ILE A 32 1.896 6.402 4.538 1.00 0.58 N ATOM 430 CA ILE A 32 0.931 5.321 4.700 1.00 0.56 C ATOM 431 C ILE A 32 -0.350 5.847 5.338 1.00 0.52 C ATOM 432 O ILE A 32 -1.455 5.521 4.897 1.00 0.51 O ATOM 433 CB ILE A 32 1.532 4.217 5.564 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.001 4.778 6.905 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.685 3.528 4.837 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.682 3.710 7.754 1.00 1.07 C ATOM 0 H ILE A 32 2.817 6.206 4.929 1.00 0.58 H new ATOM 0 HA ILE A 32 0.689 4.914 3.718 1.00 0.56 H new ATOM 0 HB ILE A 32 0.757 3.475 5.755 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.693 5.602 6.733 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.148 5.186 7.448 1.00 0.70 H new ATOM 0 HG21 ILE A 32 3.099 2.744 5.472 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.319 3.088 3.909 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.461 4.259 4.611 1.00 0.69 H new ATOM 0 HD11 ILE A 32 3.002 4.147 8.700 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.981 2.898 7.948 1.00 1.07 H new ATOM 0 HD13 ILE A 32 3.550 3.321 7.222 1.00 1.07 H new ATOM 448 N ASN A 33 -0.195 6.665 6.374 1.00 0.56 N ATOM 449 CA ASN A 33 -1.335 7.243 7.074 1.00 0.59 C ATOM 450 C ASN A 33 -2.086 8.198 6.159 1.00 0.54 C ATOM 451 O ASN A 33 -3.303 8.351 6.268 1.00 0.55 O ATOM 452 CB ASN A 33 -0.858 7.983 8.321 1.00 0.71 C ATOM 453 CG ASN A 33 -1.816 7.742 9.481 1.00 0.97 C ATOM 454 OD1 ASN A 33 -1.435 7.186 10.510 1.00 1.51 O ATOM 455 ND2 ASN A 33 -3.065 8.162 9.314 1.00 1.62 N ATOM 0 H ASN A 33 0.712 6.943 6.748 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.009 6.440 7.371 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.143 7.646 8.591 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.789 9.051 8.114 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -3.752 8.028 10.056 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -3.337 8.619 8.444 1.00 1.62 H new ATOM 462 N ARG A 34 -1.354 8.835 5.251 1.00 0.55 N ATOM 463 CA ARG A 34 -1.949 9.773 4.309 1.00 0.56 C ATOM 464 C ARG A 34 -2.921 9.049 3.388 1.00 0.48 C ATOM 465 O ARG A 34 -4.054 9.490 3.195 1.00 0.48 O ATOM 466 CB ARG A 34 -0.857 10.453 3.486 1.00 0.65 C ATOM 467 CG ARG A 34 -1.109 11.952 3.353 1.00 0.89 C ATOM 468 CD ARG A 34 0.194 12.733 3.220 1.00 1.22 C ATOM 469 NE ARG A 34 -0.083 14.149 3.006 1.00 1.69 N ATOM 470 CZ ARG A 34 0.077 15.046 3.975 1.00 2.27 C ATOM 471 NH1 ARG A 34 -0.580 14.912 5.119 1.00 2.90 N ATOM 472 NH2 ARG A 34 0.893 16.075 3.799 1.00 2.78 N ATOM 0 H ARG A 34 -0.346 8.718 5.148 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.495 10.532 4.869 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.112 10.286 3.957 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.812 10.001 2.495 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -1.736 12.140 2.482 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.659 12.307 4.224 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.796 12.605 4.120 1.00 1.22 H new ATOM 0 HD3 ARG A 34 0.778 12.340 2.388 1.00 1.22 H new ATOM 0 HE ARG A 34 -0.408 14.459 2.090 1.00 1.69 H new ATOM 0 HH11 ARG A 34 -1.209 14.121 5.256 1.00 2.90 H new ATOM 0 HH12 ARG A 34 -0.457 15.600 5.862 1.00 2.90 H new ATOM 0 HH21 ARG A 34 1.399 16.180 2.920 1.00 2.78 H new ATOM 0 HH22 ARG A 34 1.015 16.762 4.543 1.00 2.78 H new ATOM 486 N ILE A 35 -2.472 7.932 2.823 1.00 0.45 N ATOM 487 CA ILE A 35 -3.305 7.140 1.926 1.00 0.40 C ATOM 488 C ILE A 35 -4.589 6.726 2.631 1.00 0.34 C ATOM 489 O ILE A 35 -5.689 7.016 2.160 1.00 0.34 O ATOM 490 CB ILE A 35 -2.547 5.902 1.460 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.216 6.296 0.824 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.390 5.086 0.484 1.00 0.40 C ATOM 493 CD1 ILE A 35 -1.409 7.320 -0.291 1.00 1.29 C ATOM 0 H ILE A 35 -1.536 7.555 2.971 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.558 7.748 1.057 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.341 5.280 2.331 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.555 6.708 1.587 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -0.726 5.408 0.423 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.829 4.208 0.165 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.311 4.770 0.974 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.633 5.697 -0.385 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -0.441 7.577 -0.721 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -2.049 6.898 -1.066 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -1.875 8.217 0.116 1.00 1.29 H new ATOM 505 N LYS A 36 -4.442 6.047 3.767 1.00 0.35 N ATOM 506 CA LYS A 36 -5.586 5.591 4.550 1.00 0.36 C ATOM 507 C LYS A 36 -6.614 6.704 4.702 1.00 0.39 C ATOM 508 O LYS A 36 -7.774 6.548 4.328 1.00 0.51 O ATOM 509 CB LYS A 36 -5.124 5.132 5.930 1.00 0.44 C ATOM 510 CG LYS A 36 -4.156 3.956 5.841 1.00 1.09 C ATOM 511 CD LYS A 36 -4.149 3.139 7.129 1.00 1.41 C ATOM 512 CE LYS A 36 -3.875 4.017 8.348 1.00 2.17 C ATOM 513 NZ LYS A 36 -3.864 3.214 9.603 1.00 2.76 N ATOM 0 H LYS A 36 -3.536 5.800 4.166 1.00 0.35 H new ATOM 0 HA LYS A 36 -6.049 4.756 4.024 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -4.641 5.962 6.446 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -5.990 4.846 6.527 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -4.436 3.316 5.004 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -3.151 4.325 5.638 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -5.110 2.638 7.249 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -3.390 2.360 7.063 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -2.916 4.521 8.228 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -4.636 4.794 8.418 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -3.675 3.838 10.413 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -4.788 2.753 9.729 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -3.121 2.489 9.545 1.00 2.76 H new ATOM 527 N ASP A 37 -6.178 7.831 5.254 1.00 0.40 N ATOM 528 CA ASP A 37 -7.056 8.977 5.458 1.00 0.45 C ATOM 529 C ASP A 37 -7.530 9.549 4.125 1.00 0.44 C ATOM 530 O ASP A 37 -8.527 10.269 4.070 1.00 0.60 O ATOM 531 CB ASP A 37 -6.326 10.056 6.254 1.00 0.51 C ATOM 532 CG ASP A 37 -7.325 10.995 6.917 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.238 11.482 6.218 1.00 1.37 O ATOM 534 OD2 ASP A 37 -7.193 11.243 8.133 1.00 1.56 O ATOM 0 H ASP A 37 -5.219 7.975 5.569 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.930 8.641 6.017 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.694 9.593 7.012 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.669 10.622 5.594 1.00 0.51 H new ATOM 539 N GLN A 38 -6.809 9.234 3.051 1.00 0.41 N ATOM 540 CA GLN A 38 -7.160 9.728 1.723 1.00 0.46 C ATOM 541 C GLN A 38 -8.182 8.819 1.056 1.00 0.42 C ATOM 542 O GLN A 38 -9.331 9.209 0.845 1.00 0.68 O ATOM 543 CB GLN A 38 -5.907 9.818 0.858 1.00 0.54 C ATOM 544 CG GLN A 38 -6.163 10.568 -0.442 1.00 0.65 C ATOM 545 CD GLN A 38 -6.773 11.930 -0.173 1.00 1.05 C ATOM 546 OE1 GLN A 38 -7.955 12.044 0.153 1.00 1.65 O ATOM 547 NE2 GLN A 38 -5.971 12.969 -0.322 1.00 1.66 N ATOM 0 H GLN A 38 -5.980 8.640 3.075 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.601 10.719 1.831 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.117 10.320 1.416 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.549 8.813 0.632 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.227 10.686 -0.988 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.831 9.985 -1.077 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -4.998 12.827 -0.593 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -6.325 13.913 -0.166 1.00 1.66 H new ATOM 556 N TYR A 39 -7.755 7.609 0.710 1.00 0.34 N ATOM 557 CA TYR A 39 -8.631 6.647 0.049 1.00 0.34 C ATOM 558 C TYR A 39 -9.391 5.791 1.058 1.00 0.30 C ATOM 559 O TYR A 39 -9.975 4.771 0.690 1.00 0.32 O ATOM 560 CB TYR A 39 -7.812 5.746 -0.869 1.00 0.39 C ATOM 561 CG TYR A 39 -7.061 6.508 -1.930 1.00 0.46 C ATOM 562 CD1 TYR A 39 -7.699 6.882 -3.100 1.00 0.64 C ATOM 563 CD2 TYR A 39 -5.729 6.836 -1.741 1.00 0.53 C ATOM 564 CE1 TYR A 39 -7.009 7.582 -4.074 1.00 0.73 C ATOM 565 CE2 TYR A 39 -5.040 7.535 -2.715 1.00 0.62 C ATOM 566 CZ TYR A 39 -5.681 7.905 -3.877 1.00 0.66 C ATOM 567 OH TYR A 39 -4.997 8.600 -4.847 1.00 0.77 O ATOM 0 H TYR A 39 -6.807 7.271 0.876 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.360 7.209 -0.535 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -7.103 5.175 -0.270 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.476 5.026 -1.348 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -8.737 6.627 -3.253 1.00 0.64 H new ATOM 0 HD2 TYR A 39 -5.227 6.545 -0.830 1.00 0.53 H new ATOM 0 HE1 TYR A 39 -7.508 7.875 -4.986 1.00 0.73 H new ATOM 0 HE2 TYR A 39 -4.001 7.790 -2.565 1.00 0.62 H new ATOM 0 HH TYR A 39 -4.165 8.955 -4.470 1.00 0.77 H new ATOM 577 N LYS A 40 -9.392 6.196 2.328 1.00 0.28 N ATOM 578 CA LYS A 40 -10.092 5.439 3.366 1.00 0.31 C ATOM 579 C LYS A 40 -9.707 3.966 3.288 1.00 0.29 C ATOM 580 O LYS A 40 -10.567 3.087 3.268 1.00 0.39 O ATOM 581 CB LYS A 40 -11.599 5.593 3.191 1.00 0.38 C ATOM 582 CG LYS A 40 -12.298 5.831 4.526 1.00 0.86 C ATOM 583 CD LYS A 40 -13.389 4.798 4.781 1.00 1.29 C ATOM 584 CE LYS A 40 -14.713 5.461 5.149 1.00 1.88 C ATOM 585 NZ LYS A 40 -15.270 4.892 6.408 1.00 2.56 N ATOM 0 H LYS A 40 -8.920 7.037 2.661 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.805 5.827 4.343 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.805 6.426 2.518 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -12.005 4.697 2.722 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.566 5.794 5.332 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -12.733 6.830 4.536 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.524 4.183 3.891 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.079 4.131 5.586 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -14.565 6.534 5.267 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -15.428 5.325 4.338 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -16.170 5.362 6.633 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -15.433 3.872 6.286 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -14.596 5.044 7.186 1.00 2.56 H new ATOM 599 N VAL A 41 -8.405 3.710 3.220 1.00 0.23 N ATOM 600 CA VAL A 41 -7.891 2.350 3.115 1.00 0.23 C ATOM 601 C VAL A 41 -6.838 2.075 4.183 1.00 0.27 C ATOM 602 O VAL A 41 -6.602 2.902 5.065 1.00 0.33 O ATOM 603 CB VAL A 41 -7.290 2.152 1.730 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.387 2.142 0.673 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.268 3.244 1.427 1.00 0.23 C ATOM 0 H VAL A 41 -7.683 4.431 3.236 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.713 1.651 3.269 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.779 1.189 1.710 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.942 2.000 -0.312 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.082 1.328 0.878 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.923 3.091 0.695 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.850 3.085 0.433 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.755 4.219 1.464 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.468 3.209 2.167 1.00 0.23 H new ATOM 615 N SER A 42 -6.208 0.905 4.096 1.00 0.29 N ATOM 616 CA SER A 42 -5.180 0.514 5.053 1.00 0.34 C ATOM 617 C SER A 42 -3.972 -0.075 4.333 1.00 0.30 C ATOM 618 O SER A 42 -3.952 -1.260 3.999 1.00 0.36 O ATOM 619 CB SER A 42 -5.744 -0.508 6.035 1.00 0.43 C ATOM 620 OG SER A 42 -4.689 -1.230 6.656 1.00 0.93 O ATOM 0 H SER A 42 -6.393 0.212 3.371 1.00 0.29 H new ATOM 0 HA SER A 42 -4.862 1.402 5.599 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.343 -0.002 6.793 1.00 0.43 H new ATOM 0 HB3 SER A 42 -6.407 -1.197 5.512 1.00 0.43 H new ATOM 0 HG SER A 42 -5.064 -1.881 7.285 1.00 0.93 H new ATOM 626 N VAL A 43 -2.963 0.759 4.098 1.00 0.33 N ATOM 627 CA VAL A 43 -1.747 0.323 3.421 1.00 0.34 C ATOM 628 C VAL A 43 -0.690 -0.081 4.441 1.00 0.35 C ATOM 629 O VAL A 43 -0.544 0.561 5.481 1.00 0.55 O ATOM 630 CB VAL A 43 -1.215 1.444 2.531 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.017 2.724 3.337 1.00 1.25 C ATOM 632 CG2 VAL A 43 0.086 1.028 1.852 1.00 0.54 C ATOM 0 H VAL A 43 -2.964 1.743 4.367 1.00 0.33 H new ATOM 0 HA VAL A 43 -1.982 -0.542 2.801 1.00 0.34 H new ATOM 0 HB VAL A 43 -1.955 1.640 1.755 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -0.637 3.510 2.684 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -1.970 3.036 3.764 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.302 2.542 4.139 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.445 1.843 1.224 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.834 0.797 2.610 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.091 0.146 1.236 1.00 0.54 H new ATOM 642 N ARG A 44 0.044 -1.151 4.144 1.00 0.31 N ATOM 643 CA ARG A 44 1.083 -1.638 5.048 1.00 0.42 C ATOM 644 C ARG A 44 2.330 -2.059 4.278 1.00 0.40 C ATOM 645 O ARG A 44 2.296 -3.002 3.484 1.00 0.41 O ATOM 646 CB ARG A 44 0.552 -2.818 5.858 1.00 0.52 C ATOM 647 CG ARG A 44 -0.208 -2.354 7.098 1.00 0.78 C ATOM 648 CD ARG A 44 -1.623 -2.924 7.136 1.00 1.05 C ATOM 649 NE ARG A 44 -1.584 -4.381 7.191 1.00 1.31 N ATOM 650 CZ ARG A 44 -2.368 -5.071 8.013 1.00 1.74 C ATOM 651 NH1 ARG A 44 -3.537 -4.575 8.390 1.00 2.28 N ATOM 652 NH2 ARG A 44 -1.982 -6.260 8.457 1.00 2.27 N ATOM 0 H ARG A 44 -0.061 -1.695 3.288 1.00 0.31 H new ATOM 0 HA ARG A 44 1.357 -0.826 5.721 1.00 0.42 H new ATOM 0 HB2 ARG A 44 -0.105 -3.422 5.233 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.383 -3.457 6.158 1.00 0.52 H new ATOM 0 HG2 ARG A 44 0.333 -2.661 7.993 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -0.253 -1.265 7.111 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.155 -2.535 8.004 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -2.175 -2.602 6.253 1.00 1.05 H new ATOM 0 HE ARG A 44 -0.938 -4.884 6.582 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -3.837 -3.662 8.049 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -4.137 -5.106 9.021 1.00 2.28 H new ATOM 0 HH21 ARG A 44 -1.083 -6.645 8.168 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -2.584 -6.789 9.088 1.00 2.27 H new ATOM 666 N ILE A 45 3.434 -1.360 4.530 1.00 0.46 N ATOM 667 CA ILE A 45 4.706 -1.658 3.878 1.00 0.47 C ATOM 668 C ILE A 45 5.506 -2.636 4.753 1.00 0.53 C ATOM 669 O ILE A 45 5.936 -2.283 5.851 1.00 0.64 O ATOM 670 CB ILE A 45 5.474 -0.336 3.631 1.00 0.56 C ATOM 671 CG1 ILE A 45 5.144 0.215 2.240 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.995 -0.482 3.794 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.879 -0.541 1.129 1.00 0.56 C ATOM 0 H ILE A 45 3.473 -0.579 5.185 1.00 0.46 H new ATOM 0 HA ILE A 45 4.542 -2.134 2.911 1.00 0.47 H new ATOM 0 HB ILE A 45 5.142 0.366 4.396 1.00 0.56 H new ATOM 0 HG12 ILE A 45 4.069 0.151 2.071 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.411 1.271 2.197 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.475 0.479 3.608 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.222 -0.811 4.808 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.368 -1.218 3.082 1.00 0.60 H new ATOM 0 HD11 ILE A 45 5.613 -0.115 0.162 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.955 -0.455 1.281 1.00 0.56 H new ATOM 0 HD13 ILE A 45 5.592 -1.592 1.153 1.00 0.56 H new ATOM 685 N PRO A 46 5.716 -3.877 4.278 1.00 0.48 N ATOM 686 CA PRO A 46 6.466 -4.887 5.031 1.00 0.58 C ATOM 687 C PRO A 46 7.974 -4.653 4.966 1.00 0.61 C ATOM 688 O PRO A 46 8.587 -4.804 3.909 1.00 0.56 O ATOM 689 CB PRO A 46 6.077 -6.198 4.356 1.00 0.57 C ATOM 690 CG PRO A 46 5.675 -5.834 2.966 1.00 0.47 C ATOM 691 CD PRO A 46 5.242 -4.390 2.982 1.00 0.41 C ATOM 0 HA PRO A 46 6.231 -4.868 6.095 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.912 -6.898 4.351 1.00 0.57 H new ATOM 0 HB3 PRO A 46 5.257 -6.683 4.886 1.00 0.57 H new ATOM 0 HG2 PRO A 46 6.507 -5.977 2.277 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.862 -6.474 2.622 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.679 -3.835 2.152 1.00 0.41 H new ATOM 0 HD3 PRO A 46 4.160 -4.299 2.891 1.00 0.41 H new ATOM 699 N PRO A 47 8.599 -4.280 6.098 1.00 0.74 N ATOM 700 CA PRO A 47 10.046 -4.028 6.151 1.00 0.81 C ATOM 701 C PRO A 47 10.858 -5.314 6.045 1.00 0.87 C ATOM 702 O PRO A 47 10.377 -6.395 6.385 1.00 1.53 O ATOM 703 CB PRO A 47 10.245 -3.354 7.507 1.00 0.98 C ATOM 704 CG PRO A 47 9.099 -3.811 8.344 1.00 1.03 C ATOM 705 CD PRO A 47 7.950 -4.076 7.406 1.00 0.85 C ATOM 0 HA PRO A 47 10.389 -3.416 5.317 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.197 -3.641 7.953 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.253 -2.268 7.410 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.361 -4.712 8.898 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.831 -3.052 9.079 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.380 -4.954 7.710 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.254 -3.238 7.380 1.00 0.85 H new ATOM 713 N ASP A 48 12.093 -5.187 5.568 1.00 1.32 N ATOM 714 CA ASP A 48 12.978 -6.335 5.414 1.00 1.46 C ATOM 715 C ASP A 48 12.396 -7.326 4.415 1.00 1.48 C ATOM 716 O ASP A 48 11.350 -7.927 4.660 1.00 2.18 O ATOM 717 CB ASP A 48 13.189 -7.019 6.761 1.00 2.16 C ATOM 718 CG ASP A 48 12.081 -6.631 7.731 1.00 2.56 C ATOM 719 OD1 ASP A 48 12.178 -5.549 8.346 1.00 3.01 O ATOM 720 OD2 ASP A 48 11.115 -7.412 7.875 1.00 3.03 O ATOM 0 H ASP A 48 12.503 -4.298 5.281 1.00 1.32 H new ATOM 0 HA ASP A 48 13.939 -5.983 5.038 1.00 1.46 H new ATOM 0 HB2 ASP A 48 13.203 -8.101 6.629 1.00 2.16 H new ATOM 0 HB3 ASP A 48 14.158 -6.735 7.173 1.00 2.16 H new ATOM 725 N SER A 49 13.079 -7.494 3.287 1.00 1.59 N ATOM 726 CA SER A 49 12.627 -8.415 2.251 1.00 2.11 C ATOM 727 C SER A 49 13.714 -8.618 1.203 1.00 1.90 C ATOM 728 O SER A 49 14.189 -7.662 0.591 1.00 2.33 O ATOM 729 CB SER A 49 11.364 -7.875 1.589 1.00 3.03 C ATOM 730 OG SER A 49 10.917 -8.760 0.574 1.00 3.81 O ATOM 0 H SER A 49 13.947 -7.005 3.068 1.00 1.59 H new ATOM 0 HA SER A 49 12.407 -9.376 2.715 1.00 2.11 H new ATOM 0 HB2 SER A 49 10.582 -7.745 2.337 1.00 3.03 H new ATOM 0 HB3 SER A 49 11.562 -6.892 1.161 1.00 3.03 H new ATOM 0 HG SER A 49 11.423 -8.596 -0.249 1.00 3.81 H new ATOM 736 N GLU A 50 14.102 -9.872 1.000 1.00 1.92 N ATOM 737 CA GLU A 50 15.133 -10.210 0.026 1.00 2.27 C ATOM 738 C GLU A 50 14.503 -10.597 -1.307 1.00 2.09 C ATOM 739 O GLU A 50 15.121 -10.456 -2.361 1.00 2.74 O ATOM 740 CB GLU A 50 15.986 -11.361 0.549 1.00 3.06 C ATOM 741 CG GLU A 50 16.779 -10.953 1.789 1.00 3.83 C ATOM 742 CD GLU A 50 16.244 -11.674 3.018 1.00 4.43 C ATOM 743 OE1 GLU A 50 16.583 -12.862 3.207 1.00 4.75 O ATOM 744 OE2 GLU A 50 15.487 -11.051 3.792 1.00 4.97 O ATOM 0 H GLU A 50 13.716 -10.674 1.499 1.00 1.92 H new ATOM 0 HA GLU A 50 15.765 -9.335 -0.128 1.00 2.27 H new ATOM 0 HB2 GLU A 50 15.346 -12.210 0.789 1.00 3.06 H new ATOM 0 HB3 GLU A 50 16.673 -11.690 -0.231 1.00 3.06 H new ATOM 0 HG2 GLU A 50 17.833 -11.191 1.649 1.00 3.83 H new ATOM 0 HG3 GLU A 50 16.712 -9.875 1.933 1.00 3.83 H new ATOM 751 N LYS A 51 13.269 -11.089 -1.252 1.00 1.76 N ATOM 752 CA LYS A 51 12.551 -11.500 -2.453 1.00 1.77 C ATOM 753 C LYS A 51 11.483 -10.473 -2.817 1.00 1.55 C ATOM 754 O LYS A 51 11.411 -9.401 -2.217 1.00 2.20 O ATOM 755 CB LYS A 51 11.909 -12.868 -2.229 1.00 2.14 C ATOM 756 CG LYS A 51 12.959 -13.966 -2.104 1.00 2.60 C ATOM 757 CD LYS A 51 13.505 -14.379 -3.469 1.00 3.36 C ATOM 758 CE LYS A 51 13.344 -15.877 -3.709 1.00 4.12 C ATOM 759 NZ LYS A 51 13.570 -16.224 -5.142 1.00 4.81 N ATOM 0 H LYS A 51 12.745 -11.213 -0.386 1.00 1.76 H new ATOM 0 HA LYS A 51 13.260 -11.567 -3.279 1.00 1.77 H new ATOM 0 HB2 LYS A 51 11.300 -12.841 -1.325 1.00 2.14 H new ATOM 0 HB3 LYS A 51 11.239 -13.097 -3.058 1.00 2.14 H new ATOM 0 HG2 LYS A 51 13.778 -13.618 -1.474 1.00 2.60 H new ATOM 0 HG3 LYS A 51 12.522 -14.833 -1.608 1.00 2.60 H new ATOM 0 HD2 LYS A 51 12.985 -13.827 -4.252 1.00 3.36 H new ATOM 0 HD3 LYS A 51 14.559 -14.111 -3.536 1.00 3.36 H new ATOM 0 HE2 LYS A 51 14.049 -16.425 -3.084 1.00 4.12 H new ATOM 0 HE3 LYS A 51 12.343 -16.190 -3.410 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 13.454 -17.249 -5.274 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 12.881 -15.718 -5.734 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 14.533 -15.947 -5.419 1.00 4.81 H new ATOM 773 N SER A 52 10.655 -10.805 -3.808 1.00 1.19 N ATOM 774 CA SER A 52 9.587 -9.914 -4.263 1.00 1.04 C ATOM 775 C SER A 52 8.875 -9.255 -3.084 1.00 0.92 C ATOM 776 O SER A 52 8.275 -9.933 -2.250 1.00 1.19 O ATOM 777 CB SER A 52 8.579 -10.700 -5.095 1.00 1.25 C ATOM 778 OG SER A 52 7.827 -11.575 -4.269 1.00 2.03 O ATOM 0 H SER A 52 10.704 -11.690 -4.313 1.00 1.19 H new ATOM 0 HA SER A 52 10.037 -9.130 -4.872 1.00 1.04 H new ATOM 0 HB2 SER A 52 7.909 -10.012 -5.611 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.100 -11.273 -5.862 1.00 1.25 H new ATOM 0 HG SER A 52 7.992 -11.359 -3.328 1.00 2.03 H new ATOM 784 N ASN A 53 8.946 -7.929 -3.026 1.00 0.68 N ATOM 785 CA ASN A 53 8.309 -7.170 -1.954 1.00 0.61 C ATOM 786 C ASN A 53 6.853 -6.878 -2.297 1.00 0.59 C ATOM 787 O ASN A 53 6.557 -5.930 -3.023 1.00 0.99 O ATOM 788 CB ASN A 53 9.057 -5.860 -1.733 1.00 0.60 C ATOM 789 CG ASN A 53 9.279 -5.620 -0.245 1.00 0.89 C ATOM 790 OD1 ASN A 53 8.676 -6.284 0.598 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.148 -4.670 0.078 1.00 1.28 N ATOM 0 H ASN A 53 9.440 -7.356 -3.710 1.00 0.68 H new ATOM 0 HA ASN A 53 8.341 -7.765 -1.041 1.00 0.61 H new ATOM 0 HB2 ASN A 53 10.016 -5.890 -2.250 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.490 -5.033 -2.161 1.00 0.60 H new ATOM 0 HD21 ASN A 53 10.339 -4.465 1.059 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.625 -4.145 -0.655 1.00 1.28 H new ATOM 798 N LEU A 54 5.948 -7.696 -1.773 1.00 0.55 N ATOM 799 CA LEU A 54 4.522 -7.522 -2.027 1.00 0.51 C ATOM 800 C LEU A 54 3.873 -6.710 -0.914 1.00 0.44 C ATOM 801 O LEU A 54 3.638 -7.218 0.182 1.00 0.57 O ATOM 802 CB LEU A 54 3.841 -8.884 -2.136 1.00 0.65 C ATOM 803 CG LEU A 54 3.736 -9.346 -3.587 1.00 0.82 C ATOM 804 CD1 LEU A 54 4.952 -10.182 -3.976 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.448 -10.130 -3.812 1.00 1.49 C ATOM 0 H LEU A 54 6.176 -8.486 -1.170 1.00 0.55 H new ATOM 0 HA LEU A 54 4.403 -6.983 -2.967 1.00 0.51 H new ATOM 0 HB2 LEU A 54 4.402 -9.619 -1.559 1.00 0.65 H new ATOM 0 HB3 LEU A 54 2.844 -8.829 -1.698 1.00 0.65 H new ATOM 0 HG LEU A 54 3.712 -8.462 -4.225 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.857 -10.501 -5.014 1.00 1.49 H new ATOM 0 HD12 LEU A 54 5.856 -9.584 -3.861 1.00 1.49 H new ATOM 0 HD13 LEU A 54 5.012 -11.059 -3.331 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.394 -10.450 -4.853 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.437 -11.005 -3.163 1.00 1.49 H new ATOM 0 HD23 LEU A 54 1.591 -9.496 -3.582 1.00 1.49 H new ATOM 817 N ILE A 55 3.578 -5.445 -1.202 1.00 0.31 N ATOM 818 CA ILE A 55 2.947 -4.569 -0.222 1.00 0.26 C ATOM 819 C ILE A 55 1.516 -5.021 0.037 1.00 0.27 C ATOM 820 O ILE A 55 0.792 -5.383 -0.893 1.00 0.34 O ATOM 821 CB ILE A 55 2.957 -3.126 -0.718 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.361 -2.716 -1.156 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.438 -2.180 0.359 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.385 -1.286 -1.691 1.00 0.35 C ATOM 0 H ILE A 55 3.765 -5.006 -2.103 1.00 0.31 H new ATOM 0 HA ILE A 55 3.510 -4.623 0.709 1.00 0.26 H new ATOM 0 HB ILE A 55 2.294 -3.060 -1.581 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.046 -2.802 -0.312 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.717 -3.400 -1.926 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.454 -1.157 -0.017 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.416 -2.454 0.622 1.00 0.31 H new ATOM 0 HG23 ILE A 55 3.072 -2.252 1.243 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.400 -1.028 -1.993 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.719 -1.208 -2.550 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.053 -0.600 -0.911 1.00 0.35 H new ATOM 836 N ARG A 56 1.117 -5.007 1.305 1.00 0.29 N ATOM 837 CA ARG A 56 -0.226 -5.427 1.690 1.00 0.32 C ATOM 838 C ARG A 56 -1.173 -4.236 1.759 1.00 0.29 C ATOM 839 O ARG A 56 -0.980 -3.320 2.557 1.00 0.42 O ATOM 840 CB ARG A 56 -0.179 -6.131 3.043 1.00 0.42 C ATOM 841 CG ARG A 56 0.689 -7.385 2.993 1.00 0.55 C ATOM 842 CD ARG A 56 1.628 -7.468 4.193 1.00 0.84 C ATOM 843 NE ARG A 56 0.864 -7.543 5.433 1.00 1.44 N ATOM 844 CZ ARG A 56 0.593 -8.706 6.016 1.00 1.77 C ATOM 845 NH1 ARG A 56 0.490 -9.807 5.284 1.00 2.33 N ATOM 846 NH2 ARG A 56 0.427 -8.769 7.329 1.00 2.19 N ATOM 0 H ARG A 56 1.705 -4.709 2.084 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.600 -6.117 0.933 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.212 -5.447 3.796 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.190 -6.399 3.350 1.00 0.42 H new ATOM 0 HG2 ARG A 56 0.051 -8.269 2.968 1.00 0.55 H new ATOM 0 HG3 ARG A 56 1.273 -7.387 2.073 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.270 -8.344 4.100 1.00 0.84 H new ATOM 0 HD3 ARG A 56 2.281 -6.595 4.213 1.00 0.84 H new ATOM 0 HE ARG A 56 0.529 -6.681 5.864 1.00 1.44 H new ATOM 0 HH11 ARG A 56 0.619 -9.761 4.273 1.00 2.33 H new ATOM 0 HH12 ARG A 56 0.282 -10.700 5.732 1.00 2.33 H new ATOM 0 HH21 ARG A 56 0.507 -7.924 7.894 1.00 2.19 H new ATOM 0 HH22 ARG A 56 0.219 -9.663 7.774 1.00 2.19 H new ATOM 860 N ILE A 57 -2.203 -4.262 0.918 1.00 0.24 N ATOM 861 CA ILE A 57 -3.195 -3.193 0.880 1.00 0.24 C ATOM 862 C ILE A 57 -4.591 -3.767 1.072 1.00 0.26 C ATOM 863 O ILE A 57 -4.916 -4.822 0.528 1.00 0.40 O ATOM 864 CB ILE A 57 -3.121 -2.455 -0.452 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.680 -2.062 -0.772 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.022 -1.225 -0.436 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.094 -1.149 0.301 1.00 1.32 C ATOM 0 H ILE A 57 -2.372 -5.015 0.251 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.983 -2.492 1.688 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.473 -3.127 -1.234 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.069 -2.960 -0.860 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.646 -1.558 -1.738 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.955 -0.712 -1.396 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.053 -1.532 -0.260 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.703 -0.551 0.359 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.068 -0.891 0.039 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.691 -0.239 0.370 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.104 -1.664 1.262 1.00 1.32 H new ATOM 879 N GLU A 58 -5.418 -3.071 1.845 1.00 0.23 N ATOM 880 CA GLU A 58 -6.780 -3.524 2.100 1.00 0.25 C ATOM 881 C GLU A 58 -7.661 -2.371 2.553 1.00 0.24 C ATOM 882 O GLU A 58 -7.264 -1.551 3.383 1.00 0.26 O ATOM 883 CB GLU A 58 -6.775 -4.621 3.160 1.00 0.32 C ATOM 884 CG GLU A 58 -8.189 -5.097 3.480 1.00 0.37 C ATOM 885 CD GLU A 58 -8.411 -5.125 4.987 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.459 -5.459 5.722 1.00 1.47 O ATOM 887 OE2 GLU A 58 -9.536 -4.812 5.429 1.00 1.56 O ATOM 0 H GLU A 58 -5.170 -2.195 2.304 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.187 -3.922 1.170 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.177 -5.463 2.811 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.301 -4.248 4.068 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.917 -4.435 3.011 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.348 -6.092 3.064 1.00 0.37 H new ATOM 894 N GLY A 59 -8.864 -2.323 1.996 1.00 0.25 N ATOM 895 CA GLY A 59 -9.834 -1.289 2.316 1.00 0.27 C ATOM 896 C GLY A 59 -11.236 -1.860 2.204 1.00 0.39 C ATOM 897 O GLY A 59 -11.464 -3.021 2.542 1.00 0.59 O ATOM 0 H GLY A 59 -9.193 -3.001 1.309 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.662 -0.913 3.325 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.718 -0.444 1.637 1.00 0.27 H new ATOM 901 N ASP A 60 -12.178 -1.058 1.727 1.00 0.53 N ATOM 902 CA ASP A 60 -13.541 -1.528 1.583 1.00 0.70 C ATOM 903 C ASP A 60 -14.137 -1.151 0.230 1.00 0.59 C ATOM 904 O ASP A 60 -14.585 -2.024 -0.512 1.00 1.04 O ATOM 905 CB ASP A 60 -14.405 -0.976 2.704 1.00 1.22 C ATOM 906 CG ASP A 60 -15.262 -2.081 3.307 1.00 1.93 C ATOM 907 OD1 ASP A 60 -14.784 -2.766 4.237 1.00 2.66 O ATOM 908 OD2 ASP A 60 -16.410 -2.262 2.850 1.00 2.31 O ATOM 0 H ASP A 60 -12.023 -0.092 1.438 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.519 -2.616 1.641 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.773 -0.535 3.475 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.043 -0.180 2.321 1.00 1.22 H new ATOM 913 N PRO A 61 -14.170 0.148 -0.118 1.00 0.72 N ATOM 914 CA PRO A 61 -14.733 0.599 -1.380 1.00 1.14 C ATOM 915 C PRO A 61 -13.674 0.716 -2.467 1.00 0.88 C ATOM 916 O PRO A 61 -12.563 0.207 -2.321 1.00 1.22 O ATOM 917 CB PRO A 61 -15.317 1.961 -1.012 1.00 1.82 C ATOM 918 CG PRO A 61 -14.536 2.435 0.184 1.00 1.82 C ATOM 919 CD PRO A 61 -13.683 1.288 0.668 1.00 1.17 C ATOM 0 HA PRO A 61 -15.468 -0.092 -1.794 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.225 2.662 -1.841 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.379 1.881 -0.778 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.912 3.288 -0.082 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -15.211 2.767 0.973 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.623 1.473 0.493 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -13.805 1.120 1.738 1.00 1.17 H new ATOM 927 N GLN A 62 -14.019 1.397 -3.553 1.00 0.64 N ATOM 928 CA GLN A 62 -13.092 1.587 -4.661 1.00 0.47 C ATOM 929 C GLN A 62 -11.766 2.150 -4.157 1.00 0.41 C ATOM 930 O GLN A 62 -10.733 1.997 -4.804 1.00 0.47 O ATOM 931 CB GLN A 62 -13.698 2.536 -5.691 1.00 0.69 C ATOM 932 CG GLN A 62 -14.348 1.775 -6.843 1.00 0.85 C ATOM 933 CD GLN A 62 -15.202 2.715 -7.684 1.00 1.34 C ATOM 934 OE1 GLN A 62 -14.683 3.505 -8.473 1.00 2.14 O ATOM 935 NE2 GLN A 62 -16.517 2.631 -7.515 1.00 1.73 N ATOM 0 H GLN A 62 -14.934 1.827 -3.690 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.907 0.620 -5.128 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.441 3.171 -5.209 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.922 3.194 -6.081 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -13.579 1.317 -7.465 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -14.964 0.966 -6.451 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.904 1.961 -6.850 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -17.140 3.236 -8.050 1.00 1.73 H new ATOM 944 N GLY A 63 -11.808 2.811 -3.003 1.00 0.37 N ATOM 945 CA GLY A 63 -10.619 3.411 -2.410 1.00 0.34 C ATOM 946 C GLY A 63 -9.449 2.433 -2.335 1.00 0.27 C ATOM 947 O GLY A 63 -8.315 2.801 -2.639 1.00 0.29 O ATOM 0 H GLY A 63 -12.660 2.944 -2.458 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.324 4.282 -2.996 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.856 3.767 -1.407 1.00 0.34 H new ATOM 951 N VAL A 64 -9.709 1.196 -1.913 1.00 0.24 N ATOM 952 CA VAL A 64 -8.640 0.208 -1.791 1.00 0.21 C ATOM 953 C VAL A 64 -8.000 -0.089 -3.145 1.00 0.24 C ATOM 954 O VAL A 64 -6.777 -0.170 -3.255 1.00 0.28 O ATOM 955 CB VAL A 64 -9.142 -1.085 -1.131 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.937 -1.960 -2.096 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.955 -1.863 -0.576 1.00 0.26 C ATOM 0 H VAL A 64 -10.636 0.858 -1.654 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.875 0.638 -1.144 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.819 -0.805 -0.324 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.269 -2.861 -1.581 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.805 -1.408 -2.457 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.306 -2.237 -2.941 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.309 -2.781 -0.107 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.271 -2.110 -1.388 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.435 -1.255 0.164 1.00 0.26 H new ATOM 967 N GLN A 65 -8.824 -0.252 -4.175 1.00 0.25 N ATOM 968 CA GLN A 65 -8.315 -0.539 -5.512 1.00 0.30 C ATOM 969 C GLN A 65 -7.695 0.709 -6.125 1.00 0.30 C ATOM 970 O GLN A 65 -6.742 0.626 -6.902 1.00 0.34 O ATOM 971 CB GLN A 65 -9.440 -1.056 -6.404 1.00 0.37 C ATOM 972 CG GLN A 65 -10.554 -0.027 -6.562 1.00 0.42 C ATOM 973 CD GLN A 65 -11.406 -0.351 -7.781 1.00 0.78 C ATOM 974 OE1 GLN A 65 -12.090 -1.374 -7.820 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.365 0.522 -8.781 1.00 0.82 N ATOM 0 H GLN A 65 -9.840 -0.191 -4.111 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.546 -1.307 -5.432 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.039 -1.311 -7.385 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -9.849 -1.973 -5.979 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.177 -0.016 -5.668 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.125 0.970 -6.665 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -10.784 1.357 -8.706 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -11.915 0.358 -9.624 1.00 0.82 H new ATOM 984 N GLN A 66 -8.237 1.867 -5.765 1.00 0.29 N ATOM 985 CA GLN A 66 -7.739 3.139 -6.272 1.00 0.31 C ATOM 986 C GLN A 66 -6.368 3.438 -5.685 1.00 0.29 C ATOM 987 O GLN A 66 -5.392 3.609 -6.415 1.00 0.36 O ATOM 988 CB GLN A 66 -8.714 4.258 -5.915 1.00 0.35 C ATOM 989 CG GLN A 66 -8.658 5.398 -6.927 1.00 0.79 C ATOM 990 CD GLN A 66 -10.035 6.028 -7.089 1.00 1.10 C ATOM 991 OE1 GLN A 66 -10.210 7.229 -6.882 1.00 2.03 O ATOM 992 NE2 GLN A 66 -11.017 5.216 -7.463 1.00 1.31 N ATOM 0 H GLN A 66 -9.024 1.950 -5.122 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.650 3.076 -7.357 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.727 3.858 -5.873 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.481 4.641 -4.922 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -7.942 6.151 -6.597 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -8.306 5.023 -7.888 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -10.827 4.227 -7.624 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.961 5.582 -7.589 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.299 3.489 -4.359 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.044 3.757 -3.668 1.00 0.27 C ATOM 1003 C ALA A 67 -4.007 2.709 -4.047 1.00 0.26 C ATOM 1004 O ALA A 67 -2.820 3.012 -4.166 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.266 3.750 -2.158 1.00 0.29 C ATOM 0 H ALA A 67 -7.098 3.348 -3.741 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.679 4.740 -3.966 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.323 3.951 -1.651 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.992 4.519 -1.893 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.643 2.775 -1.850 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.465 1.477 -4.242 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.578 0.382 -4.618 1.00 0.28 C ATOM 1013 C LYS A 68 -2.823 0.741 -5.889 1.00 0.31 C ATOM 1014 O LYS A 68 -1.638 1.071 -5.847 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.387 -0.897 -4.829 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.511 -2.056 -5.303 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.295 -3.033 -6.176 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.373 -3.839 -7.087 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.152 -4.714 -8.008 1.00 0.88 N ATOM 0 H LYS A 68 -5.445 1.212 -4.146 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.859 0.214 -3.816 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.880 -1.173 -3.897 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.172 -0.713 -5.562 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.663 -1.665 -5.865 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.106 -2.583 -4.439 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -4.865 -3.712 -5.541 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -5.015 -2.483 -6.782 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.748 -3.161 -7.668 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -2.703 -4.450 -6.482 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.498 -5.249 -8.614 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.729 -5.377 -7.452 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.773 -4.128 -8.601 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.519 0.679 -7.020 1.00 0.36 N ATOM 1034 CA ARG A 69 -2.919 0.999 -8.311 1.00 0.43 C ATOM 1035 C ARG A 69 -2.160 2.319 -8.239 1.00 0.42 C ATOM 1036 O ARG A 69 -1.196 2.532 -8.974 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.004 1.084 -9.379 1.00 0.50 C ATOM 1038 CG ARG A 69 -3.406 1.210 -10.776 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.402 0.794 -11.854 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.862 -0.570 -11.621 1.00 1.81 N ATOM 1041 CZ ARG A 69 -4.037 -1.608 -11.700 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -3.214 -1.726 -12.733 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -4.036 -2.532 -10.749 1.00 2.98 N ATOM 0 H ARG A 69 -4.502 0.409 -7.069 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.216 0.208 -8.572 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -4.634 0.196 -9.331 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.647 1.941 -9.179 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.094 2.240 -10.947 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -2.512 0.590 -10.847 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.252 1.476 -11.856 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -3.935 0.864 -12.836 1.00 1.36 H new ATOM 0 HE ARG A 69 -5.843 -0.731 -11.391 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -3.214 -1.019 -13.468 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -2.581 -2.524 -12.792 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -4.670 -2.447 -9.954 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -3.401 -3.328 -10.812 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.600 3.200 -7.347 1.00 0.40 N ATOM 1058 CA GLU A 70 -1.963 4.501 -7.175 1.00 0.43 C ATOM 1059 C GLU A 70 -0.568 4.336 -6.588 1.00 0.44 C ATOM 1060 O GLU A 70 0.351 5.079 -6.930 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.811 5.381 -6.260 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.358 6.838 -6.307 1.00 0.59 C ATOM 1063 CD GLU A 70 -2.838 7.501 -7.592 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.915 7.115 -8.094 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -2.137 8.405 -8.092 1.00 1.38 O ATOM 0 H GLU A 70 -3.396 3.037 -6.731 1.00 0.40 H new ATOM 0 HA GLU A 70 -1.878 4.978 -8.151 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.858 5.315 -6.557 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.746 5.012 -5.236 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.751 7.376 -5.444 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.271 6.890 -6.247 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.417 3.355 -5.704 1.00 0.40 N ATOM 1073 CA LEU A 71 0.867 3.089 -5.066 1.00 0.47 C ATOM 1074 C LEU A 71 1.809 2.381 -6.032 1.00 0.52 C ATOM 1075 O LEU A 71 2.970 2.763 -6.176 1.00 0.60 O ATOM 1076 CB LEU A 71 0.662 2.230 -3.821 1.00 0.51 C ATOM 1077 CG LEU A 71 0.032 3.028 -2.683 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.758 2.109 -1.756 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.098 3.795 -1.906 1.00 1.15 C ATOM 0 H LEU A 71 -1.169 2.730 -5.413 1.00 0.40 H new ATOM 0 HA LEU A 71 1.314 4.041 -4.778 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.025 1.380 -4.066 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.621 1.826 -3.495 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.659 3.752 -3.115 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.200 2.696 -0.951 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.549 1.615 -2.321 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.091 1.358 -1.333 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.627 4.357 -1.100 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.818 3.093 -1.486 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.612 4.484 -2.576 1.00 1.15 H new ATOM 1091 N LEU A 72 1.303 1.344 -6.691 1.00 0.52 N ATOM 1092 CA LEU A 72 2.100 0.579 -7.643 1.00 0.63 C ATOM 1093 C LEU A 72 2.635 1.485 -8.746 1.00 0.67 C ATOM 1094 O LEU A 72 3.692 1.223 -9.319 1.00 0.83 O ATOM 1095 CB LEU A 72 1.252 -0.533 -8.253 1.00 0.66 C ATOM 1096 CG LEU A 72 2.067 -1.804 -8.480 1.00 0.88 C ATOM 1097 CD1 LEU A 72 1.147 -2.997 -8.726 1.00 1.04 C ATOM 1098 CD2 LEU A 72 3.038 -1.623 -9.642 1.00 1.99 C ATOM 0 H LEU A 72 0.344 1.014 -6.583 1.00 0.52 H new ATOM 0 HA LEU A 72 2.946 0.140 -7.113 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.411 -0.752 -7.595 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.835 -0.194 -9.201 1.00 0.66 H new ATOM 0 HG LEU A 72 2.648 -2.001 -7.579 1.00 0.88 H new ATOM 0 HD11 LEU A 72 1.747 -3.893 -8.885 1.00 1.04 H new ATOM 0 HD12 LEU A 72 0.501 -3.143 -7.860 1.00 1.04 H new ATOM 0 HD13 LEU A 72 0.535 -2.809 -9.608 1.00 1.04 H new ATOM 0 HD21 LEU A 72 3.608 -2.541 -9.786 1.00 1.99 H new ATOM 0 HD22 LEU A 72 2.480 -1.396 -10.550 1.00 1.99 H new ATOM 0 HD23 LEU A 72 3.721 -0.802 -9.421 1.00 1.99 H new ATOM 1110 N GLU A 73 1.899 2.550 -9.038 1.00 0.64 N ATOM 1111 CA GLU A 73 2.298 3.495 -10.074 1.00 0.74 C ATOM 1112 C GLU A 73 3.129 4.625 -9.479 1.00 0.71 C ATOM 1113 O GLU A 73 4.352 4.649 -9.621 1.00 0.88 O ATOM 1114 CB GLU A 73 1.061 4.067 -10.759 1.00 0.82 C ATOM 1115 CG GLU A 73 0.554 3.146 -11.866 1.00 1.00 C ATOM 1116 CD GLU A 73 0.068 3.965 -13.055 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -0.942 4.683 -12.909 1.00 2.05 O ATOM 1118 OE2 GLU A 73 0.698 3.884 -14.130 1.00 2.01 O ATOM 0 H GLU A 73 1.022 2.781 -8.572 1.00 0.64 H new ATOM 0 HA GLU A 73 2.906 2.967 -10.809 1.00 0.74 H new ATOM 0 HB2 GLU A 73 0.273 4.218 -10.021 1.00 0.82 H new ATOM 0 HB3 GLU A 73 1.296 5.045 -11.178 1.00 0.82 H new ATOM 0 HG2 GLU A 73 1.351 2.472 -12.181 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -0.258 2.525 -11.488 1.00 1.00 H new ATOM 1125 N LEU A 74 2.458 5.557 -8.811 1.00 0.64 N ATOM 1126 CA LEU A 74 3.134 6.693 -8.193 1.00 0.71 C ATOM 1127 C LEU A 74 4.122 6.217 -7.137 1.00 0.82 C ATOM 1128 O LEU A 74 5.286 6.617 -7.138 1.00 1.13 O ATOM 1129 CB LEU A 74 2.108 7.624 -7.555 1.00 0.85 C ATOM 1130 CG LEU A 74 1.073 8.099 -8.569 1.00 0.99 C ATOM 1131 CD1 LEU A 74 0.094 9.075 -7.923 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.754 8.737 -9.777 1.00 1.32 C ATOM 0 H LEU A 74 1.446 5.549 -8.683 1.00 0.64 H new ATOM 0 HA LEU A 74 3.681 7.233 -8.966 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.606 7.107 -6.737 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.617 8.486 -7.123 1.00 0.85 H new ATOM 0 HG LEU A 74 0.511 7.231 -8.914 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.636 9.402 -8.664 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.421 8.582 -7.099 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.639 9.940 -7.545 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.997 9.069 -10.488 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.346 9.592 -9.451 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.406 8.006 -10.256 1.00 1.32 H new ATOM 1144 N ALA A 75 3.651 5.361 -6.236 1.00 0.78 N ATOM 1145 CA ALA A 75 4.492 4.830 -5.172 1.00 0.99 C ATOM 1146 C ALA A 75 5.170 5.962 -4.411 1.00 1.70 C ATOM 1147 O ALA A 75 6.316 5.834 -3.979 1.00 2.16 O ATOM 1148 CB ALA A 75 5.546 3.897 -5.759 1.00 1.14 C ATOM 0 H ALA A 75 2.690 5.020 -6.223 1.00 0.78 H new ATOM 0 HA ALA A 75 3.863 4.272 -4.479 1.00 0.99 H new ATOM 0 HB1 ALA A 75 6.171 3.504 -4.957 1.00 1.14 H new ATOM 0 HB2 ALA A 75 5.055 3.071 -6.274 1.00 1.14 H new ATOM 0 HB3 ALA A 75 6.166 4.448 -6.466 1.00 1.14 H new