USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 130:sc= 1.29 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.161) USER MOD Set 2.2: A 12 THR OG1 : rot 170:sc= 0 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0784 (180deg=-0.347) USER MOD Single : A 1 MET N :NH3+ 172:sc= 2.38 (180deg=2.28) USER MOD Single : A 2 GLN : amide:sc= -0.0147 K(o=-0.015,f=-1.3) USER MOD Single : A 7 THR OG1 : rot 180:sc=-0.00594 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= 1.23 (180deg=1.08) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -160:sc= -0.202 USER MOD Single : A 25 ASN : amide:sc= 0.664 K(o=0.66,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.21 (180deg=-1.13!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= -0.0304 (180deg=-0.0482) USER MOD Single : A 40 GLN : amide:sc= -0.0399 K(o=-0.04,f=-1.8!) USER MOD Single : A 41 GLN : amide:sc= 0.716 K(o=0.72,f=-5.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 59 TYR OH : rot 100:sc= 0.609 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -131:sc= 1.25 (180deg=-0.93) USER MOD Single : A 65 SER OG : rot 80:sc= 1.32 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.129 K(o=0.13,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.837 -7.084 -4.777 1.00 9.67 N ATOM 2 CA MET A 1 11.697 -7.437 -3.375 1.00 10.38 C ATOM 3 C MET A 1 10.264 -7.690 -2.881 1.00 9.62 C ATOM 4 O MET A 1 9.308 -7.290 -3.510 1.00 9.62 O ATOM 5 CB MET A 1 12.318 -6.275 -2.443 1.00 13.77 C ATOM 6 CG MET A 1 11.515 -4.998 -2.212 1.00 16.29 C ATOM 7 SD MET A 1 12.471 -3.689 -1.326 1.00 17.17 S ATOM 8 CE MET A 1 10.990 -2.672 -1.376 1.00 16.11 C ATOM 0 H1 MET A 1 12.821 -6.805 -4.968 1.00 9.67 H new ATOM 0 H2 MET A 1 11.588 -7.903 -5.368 1.00 9.67 H new ATOM 0 H3 MET A 1 11.203 -6.291 -5.000 1.00 9.67 H new ATOM 0 HA MET A 1 12.232 -8.383 -3.296 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.526 -6.713 -1.467 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.277 -5.986 -2.873 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.181 -4.607 -3.173 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.620 -5.238 -1.637 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.088 -1.852 -0.665 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.860 -2.268 -2.380 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.123 -3.279 -1.114 1.00 16.11 H new ATOM 20 N GLN A 2 10.164 -8.430 -1.744 1.00 9.27 N ATOM 21 CA GLN A 2 8.884 -8.507 -1.035 1.00 9.07 C ATOM 22 C GLN A 2 8.435 -7.286 -0.180 1.00 8.72 C ATOM 23 O GLN A 2 9.208 -6.606 0.472 1.00 8.22 O ATOM 24 CB GLN A 2 8.847 -9.794 -0.102 1.00 14.46 C ATOM 25 CG GLN A 2 8.830 -11.124 -0.856 1.00 17.01 C ATOM 26 CD GLN A 2 9.102 -12.251 0.149 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.324 -12.112 1.364 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.158 -13.437 -0.343 1.00 19.49 N ATOM 0 H GLN A 2 10.928 -8.958 -1.322 1.00 9.27 H new ATOM 0 HA GLN A 2 8.173 -8.542 -1.860 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.716 -9.775 0.556 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.964 -9.740 0.534 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.866 -11.273 -1.342 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.586 -11.125 -1.641 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.981 -13.586 -1.336 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.379 -14.229 0.260 1.00 19.49 H new ATOM 37 N ILE A 3 7.113 -7.193 -0.067 1.00 5.87 N ATOM 38 CA ILE A 3 6.461 -6.307 0.865 1.00 5.07 C ATOM 39 C ILE A 3 5.172 -7.052 1.141 1.00 4.01 C ATOM 40 O ILE A 3 4.738 -7.921 0.392 1.00 4.61 O ATOM 41 CB ILE A 3 6.169 -4.892 0.403 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.414 -4.837 -0.917 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.397 -3.977 0.417 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.713 -3.503 -1.138 1.00 10.83 C ATOM 0 H ILE A 3 6.465 -7.742 -0.632 1.00 5.87 H new ATOM 0 HA ILE A 3 7.115 -6.115 1.715 1.00 5.07 H new ATOM 0 HB ILE A 3 5.493 -4.486 1.155 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.110 -5.017 -1.737 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.676 -5.639 -0.943 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.113 -2.982 0.075 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.792 -3.913 1.431 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.162 -4.384 -0.245 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.191 -3.520 -2.095 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.995 -3.332 -0.336 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.451 -2.701 -1.142 1.00 10.83 H new ATOM 56 N PHE A 4 4.483 -6.817 2.269 1.00 4.55 N ATOM 57 CA PHE A 4 3.331 -7.548 2.699 1.00 4.68 C ATOM 58 C PHE A 4 2.225 -6.578 3.152 1.00 5.30 C ATOM 59 O PHE A 4 2.520 -5.541 3.733 1.00 5.58 O ATOM 60 CB PHE A 4 3.603 -8.408 3.959 1.00 4.83 C ATOM 61 CG PHE A 4 4.861 -9.173 3.737 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.929 -10.332 2.950 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.937 -8.842 4.542 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.049 -11.045 2.854 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.126 -9.607 4.486 1.00 10.61 C ATOM 66 CZ PHE A 4 7.221 -10.697 3.613 1.00 8.90 C ATOM 0 H PHE A 4 4.744 -6.075 2.919 1.00 4.55 H new ATOM 0 HA PHE A 4 3.054 -8.168 1.846 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.695 -7.773 4.840 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.771 -9.089 4.142 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.051 -10.654 2.409 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.869 -7.999 5.214 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.079 -11.900 2.195 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.963 -9.349 5.119 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.140 -11.256 3.513 1.00 8.90 H new ATOM 76 N VAL A 5 0.967 -6.900 2.868 1.00 4.44 N ATOM 77 CA VAL A 5 -0.187 -5.974 2.994 1.00 3.87 C ATOM 78 C VAL A 5 -1.148 -6.689 3.910 1.00 4.93 C ATOM 79 O VAL A 5 -1.642 -7.778 3.668 1.00 6.84 O ATOM 80 CB VAL A 5 -0.951 -5.508 1.715 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.256 -4.701 2.059 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.036 -4.598 0.915 1.00 9.13 C ATOM 0 H VAL A 5 0.701 -7.827 2.536 1.00 4.44 H new ATOM 0 HA VAL A 5 0.227 -5.029 3.345 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.238 -6.399 1.156 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.751 -4.399 1.136 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.929 -5.329 2.643 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.994 -3.815 2.637 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.553 -4.262 0.016 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.238 -3.734 1.521 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.864 -5.144 0.633 1.00 9.13 H new ATOM 92 N LYS A 6 -1.375 -6.042 5.071 1.00 6.04 N ATOM 93 CA LYS A 6 -2.312 -6.386 6.098 1.00 6.12 C ATOM 94 C LYS A 6 -3.647 -5.641 5.977 1.00 6.57 C ATOM 95 O LYS A 6 -3.656 -4.429 5.717 1.00 5.76 O ATOM 96 CB LYS A 6 -1.807 -6.176 7.571 1.00 7.45 C ATOM 97 CG LYS A 6 -0.780 -7.213 7.996 1.00 11.12 C ATOM 98 CD LYS A 6 -0.485 -7.196 9.516 1.00 14.54 C ATOM 99 CE LYS A 6 0.681 -8.087 9.938 1.00 18.84 C ATOM 100 NZ LYS A 6 0.407 -9.481 9.489 1.00 20.55 N ATOM 0 H LYS A 6 -0.852 -5.200 5.310 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.443 -7.454 5.922 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.371 -5.181 7.662 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.658 -6.215 8.251 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.136 -8.204 7.713 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.148 -7.040 7.451 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.274 -6.171 9.822 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.380 -7.511 10.052 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.611 -7.725 9.499 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.807 -8.057 11.020 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.104 -10.126 9.913 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.549 -9.760 9.788 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.475 -9.531 8.452 1.00 20.55 H new ATOM 114 N THR A 7 -4.819 -6.335 6.229 1.00 7.41 N ATOM 115 CA THR A 7 -6.092 -5.808 5.943 1.00 7.48 C ATOM 116 C THR A 7 -7.086 -6.239 6.975 1.00 8.75 C ATOM 117 O THR A 7 -6.885 -7.179 7.680 1.00 8.58 O ATOM 118 CB THR A 7 -6.593 -6.113 4.533 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.797 -5.487 4.151 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.649 -7.603 4.264 1.00 9.17 C ATOM 0 H THR A 7 -4.841 -7.270 6.637 1.00 7.41 H new ATOM 0 HA THR A 7 -5.982 -4.724 5.981 1.00 7.48 H new ATOM 0 HB THR A 7 -5.836 -5.656 3.895 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.025 -5.748 3.234 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.010 -7.776 3.250 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.652 -8.030 4.372 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.325 -8.076 4.976 1.00 9.17 H new ATOM 128 N LEU A 8 -8.150 -5.431 7.258 1.00 9.84 N ATOM 129 CA LEU A 8 -9.028 -5.738 8.375 1.00 14.15 C ATOM 130 C LEU A 8 -10.064 -6.839 8.156 1.00 17.37 C ATOM 131 O LEU A 8 -10.860 -7.105 9.082 1.00 17.01 O ATOM 132 CB LEU A 8 -9.775 -4.471 8.749 1.00 16.63 C ATOM 133 CG LEU A 8 -8.877 -3.259 9.165 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.771 -2.135 9.508 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.940 -3.547 10.366 1.00 18.59 C ATOM 0 H LEU A 8 -8.397 -4.592 6.733 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.366 -6.118 9.153 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.392 -4.170 7.902 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.452 -4.699 9.572 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.223 -3.033 8.323 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.174 -1.272 9.803 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.379 -1.876 8.641 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.421 -2.426 10.333 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.352 -2.657 10.590 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.537 -3.817 11.237 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.271 -4.370 10.116 1.00 18.59 H new ATOM 147 N THR A 9 -9.855 -7.637 7.034 1.00 18.33 N ATOM 148 CA THR A 9 -10.628 -8.867 6.881 1.00 19.24 C ATOM 149 C THR A 9 -9.893 -10.025 7.502 1.00 19.48 C ATOM 150 O THR A 9 -10.420 -11.114 7.693 1.00 23.14 O ATOM 151 CB THR A 9 -10.900 -9.160 5.467 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.662 -9.302 4.770 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.695 -8.025 4.824 1.00 19.70 C ATOM 0 H THR A 9 -9.192 -7.437 6.285 1.00 18.33 H new ATOM 0 HA THR A 9 -11.581 -8.722 7.390 1.00 19.24 H new ATOM 0 HB THR A 9 -11.481 -10.081 5.409 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.839 -9.499 3.826 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.886 -8.262 3.777 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.643 -7.903 5.347 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.124 -7.099 4.888 1.00 19.70 H new ATOM 161 N GLY A 10 -8.619 -9.783 7.900 1.00 19.43 N ATOM 162 CA GLY A 10 -7.683 -10.705 8.603 1.00 18.74 C ATOM 163 C GLY A 10 -6.514 -11.173 7.720 1.00 17.62 C ATOM 164 O GLY A 10 -5.461 -11.603 8.262 1.00 19.74 O ATOM 0 H GLY A 10 -8.185 -8.876 7.728 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.285 -10.204 9.486 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.236 -11.576 8.953 1.00 18.74 H new ATOM 168 N LYS A 11 -6.666 -11.154 6.452 1.00 13.56 N ATOM 169 CA LYS A 11 -5.655 -11.552 5.495 1.00 11.91 C ATOM 170 C LYS A 11 -4.334 -10.815 5.616 1.00 10.18 C ATOM 171 O LYS A 11 -4.242 -9.778 6.248 1.00 9.10 O ATOM 172 CB LYS A 11 -6.038 -11.407 4.049 1.00 13.43 C ATOM 173 CG LYS A 11 -7.418 -12.073 3.656 1.00 16.69 C ATOM 174 CD LYS A 11 -7.844 -11.869 2.130 1.00 17.92 C ATOM 175 CE LYS A 11 -6.892 -12.636 1.229 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.450 -12.556 -0.145 1.00 21.93 N ATOM 0 H LYS A 11 -7.533 -10.849 6.011 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.554 -12.603 5.767 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.080 -10.346 3.804 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.252 -11.845 3.434 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.363 -13.141 3.865 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.200 -11.663 4.296 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.865 -12.217 1.977 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.827 -10.809 1.876 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.892 -12.205 1.266 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.804 -13.673 1.552 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.717 -12.823 -0.833 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.258 -13.205 -0.230 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.766 -11.584 -0.335 1.00 21.93 H new ATOM 190 N THR A 12 -3.247 -11.378 5.014 1.00 9.63 N ATOM 191 CA THR A 12 -2.026 -10.709 4.724 1.00 9.85 C ATOM 192 C THR A 12 -1.680 -11.175 3.308 1.00 11.66 C ATOM 193 O THR A 12 -1.650 -12.377 3.018 1.00 12.33 O ATOM 194 CB THR A 12 -0.877 -11.053 5.596 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.266 -10.760 6.948 1.00 10.91 O ATOM 196 CG2 THR A 12 0.307 -10.136 5.297 1.00 9.63 C ATOM 0 H THR A 12 -3.238 -12.355 4.720 1.00 9.63 H new ATOM 0 HA THR A 12 -2.177 -9.639 4.866 1.00 9.85 H new ATOM 0 HB THR A 12 -0.605 -12.097 5.438 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.598 -11.122 7.567 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.144 -10.399 5.944 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.604 -10.253 4.255 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.020 -9.100 5.479 1.00 9.63 H new ATOM 204 N ILE A 13 -1.413 -10.227 2.413 1.00 10.42 N ATOM 205 CA ILE A 13 -1.157 -10.532 1.001 1.00 11.84 C ATOM 206 C ILE A 13 0.174 -10.061 0.634 1.00 10.55 C ATOM 207 O ILE A 13 0.536 -8.869 0.879 1.00 11.92 O ATOM 208 CB ILE A 13 -2.232 -10.014 0.061 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.387 -8.494 0.109 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.497 -10.787 0.412 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.451 -7.943 -0.809 1.00 16.46 C ATOM 0 H ILE A 13 -1.367 -9.233 2.639 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.195 -11.615 0.887 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.967 -10.187 -0.982 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.619 -8.197 1.132 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.432 -8.036 -0.147 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.314 -10.460 -0.232 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.324 -11.853 0.266 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.760 -10.601 1.453 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.491 -6.858 -0.709 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.213 -8.204 -1.840 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.418 -8.368 -0.541 1.00 16.46 H new ATOM 223 N THR A 14 0.958 -10.935 0.032 1.00 9.39 N ATOM 224 CA THR A 14 2.382 -10.760 -0.324 1.00 9.63 C ATOM 225 C THR A 14 2.559 -10.152 -1.760 1.00 11.20 C ATOM 226 O THR A 14 1.855 -10.574 -2.724 1.00 11.63 O ATOM 227 CB THR A 14 3.016 -12.100 -0.496 1.00 10.38 C ATOM 228 OG1 THR A 14 2.867 -12.887 0.682 1.00 16.30 O ATOM 229 CG2 THR A 14 4.495 -11.960 -0.641 1.00 11.66 C ATOM 0 H THR A 14 0.608 -11.852 -0.246 1.00 9.39 H new ATOM 0 HA THR A 14 2.806 -10.134 0.462 1.00 9.63 H new ATOM 0 HB THR A 14 2.541 -12.552 -1.366 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.288 -13.761 0.547 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.943 -12.946 -0.766 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.719 -11.347 -1.514 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.905 -11.485 0.251 1.00 11.66 H new ATOM 237 N LEU A 15 3.417 -9.146 -1.948 1.00 8.29 N ATOM 238 CA LEU A 15 3.445 -8.371 -3.102 1.00 9.03 C ATOM 239 C LEU A 15 4.937 -8.323 -3.615 1.00 8.59 C ATOM 240 O LEU A 15 5.893 -8.516 -2.872 1.00 7.79 O ATOM 241 CB LEU A 15 2.923 -6.934 -2.968 1.00 11.08 C ATOM 242 CG LEU A 15 1.423 -6.821 -2.700 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.043 -5.362 -2.613 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.576 -7.500 -3.764 1.00 15.27 C ATOM 0 H LEU A 15 4.115 -8.874 -1.256 1.00 8.29 H new ATOM 0 HA LEU A 15 2.758 -8.852 -3.798 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.461 -6.441 -2.158 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.157 -6.390 -3.883 1.00 11.08 H new ATOM 0 HG LEU A 15 1.224 -7.334 -1.759 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.027 -5.275 -2.422 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.596 -4.890 -1.801 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.285 -4.866 -3.553 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.479 -7.385 -3.517 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.774 -7.042 -4.733 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.825 -8.560 -3.806 1.00 15.27 H new ATOM 256 N GLU A 16 5.120 -8.053 -4.948 1.00 11.04 N ATOM 257 CA GLU A 16 6.457 -7.924 -5.602 1.00 11.50 C ATOM 258 C GLU A 16 6.627 -6.537 -5.994 1.00 10.13 C ATOM 259 O GLU A 16 5.809 -5.985 -6.755 1.00 9.83 O ATOM 260 CB GLU A 16 6.716 -8.932 -6.755 1.00 17.22 C ATOM 261 CG GLU A 16 8.164 -9.026 -7.306 1.00 23.33 C ATOM 262 CD GLU A 16 9.170 -9.285 -6.166 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.939 -10.232 -5.360 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.233 -8.636 -6.230 1.00 28.90 O ATOM 0 H GLU A 16 4.342 -7.920 -5.594 1.00 11.04 H new ATOM 0 HA GLU A 16 7.225 -8.201 -4.880 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.422 -9.923 -6.409 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.056 -8.674 -7.583 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.226 -9.828 -8.041 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.422 -8.101 -7.821 1.00 23.33 H new ATOM 271 N VAL A 17 7.728 -5.897 -5.507 1.00 8.99 N ATOM 272 CA VAL A 17 7.911 -4.490 -5.803 1.00 8.85 C ATOM 273 C VAL A 17 9.425 -4.137 -5.890 1.00 8.04 C ATOM 274 O VAL A 17 10.249 -4.864 -5.410 1.00 8.99 O ATOM 275 CB VAL A 17 7.468 -3.487 -4.785 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.920 -3.581 -4.497 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.133 -3.696 -3.391 1.00 10.54 C ATOM 0 H VAL A 17 8.457 -6.327 -4.937 1.00 8.99 H new ATOM 0 HA VAL A 17 7.310 -4.409 -6.709 1.00 8.85 H new ATOM 0 HB VAL A 17 7.754 -2.531 -5.224 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.642 -2.835 -3.752 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.367 -3.398 -5.418 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.680 -4.576 -4.121 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.771 -2.937 -2.698 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.879 -4.686 -3.011 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.215 -3.612 -3.488 1.00 10.54 H new ATOM 287 N GLU A 18 9.825 -3.010 -6.485 1.00 7.29 N ATOM 288 CA GLU A 18 11.184 -2.423 -6.345 1.00 7.08 C ATOM 289 C GLU A 18 11.082 -1.116 -5.574 1.00 6.45 C ATOM 290 O GLU A 18 9.981 -0.578 -5.601 1.00 5.28 O ATOM 291 CB GLU A 18 11.708 -2.083 -7.789 1.00 10.28 C ATOM 292 CG GLU A 18 11.951 -3.338 -8.653 1.00 12.65 C ATOM 293 CD GLU A 18 13.014 -4.213 -8.112 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.173 -3.799 -8.250 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.767 -5.323 -7.589 1.00 14.33 O ATOM 0 H GLU A 18 9.213 -2.462 -7.090 1.00 7.29 H new ATOM 0 HA GLU A 18 11.846 -3.118 -5.829 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.985 -1.438 -8.289 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.637 -1.518 -7.709 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.024 -3.906 -8.729 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.220 -3.031 -9.664 1.00 12.65 H new ATOM 302 N PRO A 19 12.053 -0.549 -4.861 1.00 7.24 N ATOM 303 CA PRO A 19 11.817 0.541 -4.011 1.00 7.07 C ATOM 304 C PRO A 19 11.490 1.815 -4.844 1.00 6.65 C ATOM 305 O PRO A 19 11.056 2.823 -4.249 1.00 6.37 O ATOM 306 CB PRO A 19 13.154 0.583 -3.270 1.00 7.61 C ATOM 307 CG PRO A 19 14.261 0.090 -4.248 1.00 8.16 C ATOM 308 CD PRO A 19 13.465 -1.000 -4.900 1.00 7.49 C ATOM 0 HA PRO A 19 10.963 0.471 -3.337 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.370 1.596 -2.930 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.119 -0.050 -2.384 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.588 0.859 -4.948 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.152 -0.276 -3.738 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.795 -1.165 -5.926 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.588 -1.945 -4.370 1.00 7.49 H new ATOM 316 N SER A 20 11.520 1.744 -6.196 1.00 6.80 N ATOM 317 CA SER A 20 11.267 2.788 -7.176 1.00 6.28 C ATOM 318 C SER A 20 9.886 2.702 -7.749 1.00 8.45 C ATOM 319 O SER A 20 9.508 3.508 -8.580 1.00 7.26 O ATOM 320 CB SER A 20 12.278 2.769 -8.406 1.00 8.57 C ATOM 321 OG SER A 20 12.410 1.434 -8.994 1.00 11.13 O ATOM 0 H SER A 20 11.745 0.862 -6.656 1.00 6.80 H new ATOM 0 HA SER A 20 11.400 3.711 -6.612 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.933 3.467 -9.168 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.257 3.117 -8.075 1.00 8.57 H new ATOM 0 HG SER A 20 13.038 1.468 -9.746 1.00 11.13 H new ATOM 327 N ASP A 21 9.027 1.696 -7.314 1.00 7.50 N ATOM 328 CA ASP A 21 7.589 1.672 -7.427 1.00 7.70 C ATOM 329 C ASP A 21 6.947 2.743 -6.579 1.00 7.08 C ATOM 330 O ASP A 21 7.560 3.165 -5.586 1.00 8.11 O ATOM 331 CB ASP A 21 6.992 0.262 -7.019 1.00 11.00 C ATOM 332 CG ASP A 21 7.131 -0.721 -8.184 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.483 -0.500 -9.277 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.944 -1.679 -8.085 1.00 14.36 O ATOM 0 H ASP A 21 9.385 0.857 -6.858 1.00 7.50 H new ATOM 0 HA ASP A 21 7.362 1.863 -8.476 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.513 -0.123 -6.143 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.942 0.368 -6.745 1.00 11.00 H new ATOM 339 N THR A 22 5.762 3.291 -6.997 1.00 5.37 N ATOM 340 CA THR A 22 5.063 4.318 -6.259 1.00 6.01 C ATOM 341 C THR A 22 4.120 3.644 -5.323 1.00 8.01 C ATOM 342 O THR A 22 3.712 2.474 -5.478 1.00 8.11 O ATOM 343 CB THR A 22 4.341 5.308 -7.070 1.00 8.92 C ATOM 344 OG1 THR A 22 3.255 4.715 -7.857 1.00 10.22 O ATOM 345 CG2 THR A 22 5.241 5.936 -8.082 1.00 9.65 C ATOM 0 H THR A 22 5.291 3.012 -7.858 1.00 5.37 H new ATOM 0 HA THR A 22 5.825 4.901 -5.742 1.00 6.01 H new ATOM 0 HB THR A 22 3.955 6.026 -6.346 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.020 5.316 -8.595 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.679 6.664 -8.667 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.065 6.437 -7.575 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.637 5.166 -8.744 1.00 9.65 H new ATOM 353 N ILE A 23 3.620 4.366 -4.286 1.00 8.32 N ATOM 354 CA ILE A 23 2.385 3.974 -3.541 1.00 9.92 C ATOM 355 C ILE A 23 1.194 3.657 -4.346 1.00 10.01 C ATOM 356 O ILE A 23 0.438 2.736 -4.010 1.00 8.71 O ATOM 357 CB ILE A 23 2.122 5.051 -2.498 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.407 5.598 -1.700 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.965 4.493 -1.593 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.276 4.502 -1.102 1.00 12.30 C ATOM 0 H ILE A 23 4.051 5.225 -3.943 1.00 8.32 H new ATOM 0 HA ILE A 23 2.584 3.007 -3.079 1.00 9.92 H new ATOM 0 HB ILE A 23 1.821 5.975 -2.992 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.013 6.200 -2.377 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.071 6.258 -0.900 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.725 5.222 -0.818 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.081 4.309 -2.204 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.285 3.561 -1.128 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.121 4.952 -0.581 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.687 3.914 -0.398 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.644 3.854 -1.898 1.00 12.30 H new ATOM 372 N GLU A 24 0.883 4.373 -5.451 1.00 9.54 N ATOM 373 CA GLU A 24 -0.138 4.017 -6.348 1.00 11.81 C ATOM 374 C GLU A 24 0.096 2.604 -7.011 1.00 11.14 C ATOM 375 O GLU A 24 -0.870 1.803 -7.168 1.00 10.62 O ATOM 376 CB GLU A 24 -0.074 5.086 -7.530 1.00 19.24 C ATOM 377 CG GLU A 24 -1.121 4.769 -8.637 1.00 27.76 C ATOM 378 CD GLU A 24 -1.286 5.939 -9.639 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.319 6.304 -10.303 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.438 6.416 -9.898 1.00 34.80 O ATOM 0 H GLU A 24 1.372 5.229 -5.712 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.084 3.988 -5.808 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.255 6.084 -7.131 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.926 5.092 -7.964 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.817 3.872 -9.176 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.083 4.552 -8.173 1.00 27.76 H new ATOM 387 N ASN A 25 1.327 2.293 -7.436 1.00 9.43 N ATOM 388 CA ASN A 25 1.649 0.970 -8.011 1.00 10.96 C ATOM 389 C ASN A 25 1.407 -0.211 -6.981 1.00 9.68 C ATOM 390 O ASN A 25 0.947 -1.331 -7.359 1.00 9.33 O ATOM 391 CB ASN A 25 3.174 0.785 -8.307 1.00 16.78 C ATOM 392 CG ASN A 25 3.462 1.620 -9.533 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.599 2.206 -10.180 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.819 1.635 -9.823 1.00 24.70 N ATOM 0 H ASN A 25 2.119 2.935 -7.395 1.00 9.43 H new ATOM 0 HA ASN A 25 1.017 0.937 -8.899 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.779 1.112 -7.461 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.413 -0.264 -8.484 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.163 2.161 -10.626 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.472 1.120 -9.233 1.00 24.70 H new ATOM 401 N VAL A 26 1.584 0.051 -5.665 1.00 6.52 N ATOM 402 CA VAL A 26 1.193 -0.856 -4.603 1.00 5.53 C ATOM 403 C VAL A 26 -0.304 -1.008 -4.567 1.00 4.42 C ATOM 404 O VAL A 26 -0.858 -2.114 -4.500 1.00 3.40 O ATOM 405 CB VAL A 26 1.793 -0.449 -3.253 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.424 -1.483 -2.175 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.268 -0.467 -3.459 1.00 8.12 C ATOM 0 H VAL A 26 2.009 0.914 -5.325 1.00 6.52 H new ATOM 0 HA VAL A 26 1.609 -1.840 -4.818 1.00 5.53 H new ATOM 0 HB VAL A 26 1.425 0.524 -2.927 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.856 -1.183 -1.220 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.340 -1.539 -2.081 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.815 -2.460 -2.459 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.768 -0.185 -2.532 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.582 -1.469 -3.751 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.534 0.240 -4.245 1.00 8.12 H new ATOM 417 N LYS A 27 -1.082 0.074 -4.734 1.00 2.64 N ATOM 418 CA LYS A 27 -2.546 0.098 -4.731 1.00 4.14 C ATOM 419 C LYS A 27 -3.031 -0.682 -5.952 1.00 5.58 C ATOM 420 O LYS A 27 -4.067 -1.321 -5.871 1.00 4.11 O ATOM 421 CB LYS A 27 -3.161 1.541 -4.666 1.00 3.97 C ATOM 422 CG LYS A 27 -2.726 2.342 -3.446 1.00 7.45 C ATOM 423 CD LYS A 27 -3.089 3.840 -3.546 1.00 9.02 C ATOM 424 CE LYS A 27 -2.673 4.612 -2.329 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.504 5.734 -2.079 1.00 15.47 N ATOM 0 H LYS A 27 -0.682 1.001 -4.882 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.897 -0.375 -3.814 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.879 2.087 -5.566 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.248 1.463 -4.668 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.192 1.920 -2.556 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.648 2.243 -3.319 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.610 4.269 -4.426 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.165 3.942 -3.687 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.691 3.952 -1.462 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.644 4.948 -2.452 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.974 6.445 -1.536 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.811 6.147 -2.983 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.338 5.434 -1.535 1.00 15.47 H new ATOM 439 N ALA A 28 -2.294 -0.479 -7.056 1.00 6.61 N ATOM 440 CA ALA A 28 -2.550 -1.113 -8.327 1.00 7.74 C ATOM 441 C ALA A 28 -2.416 -2.673 -8.179 1.00 9.17 C ATOM 442 O ALA A 28 -3.147 -3.428 -8.809 1.00 11.45 O ATOM 443 CB ALA A 28 -1.735 -0.531 -9.502 1.00 7.68 C ATOM 0 H ALA A 28 -1.489 0.147 -7.073 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.579 -0.884 -8.605 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.987 -1.064 -10.419 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.971 0.527 -9.620 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.670 -0.645 -9.298 1.00 7.68 H new ATOM 449 N LYS A 29 -1.454 -3.150 -7.384 1.00 8.96 N ATOM 450 CA LYS A 29 -1.303 -4.539 -7.039 1.00 7.90 C ATOM 451 C LYS A 29 -2.403 -5.051 -6.043 1.00 6.92 C ATOM 452 O LYS A 29 -2.982 -6.135 -6.235 1.00 6.87 O ATOM 453 CB LYS A 29 0.072 -4.631 -6.290 1.00 10.28 C ATOM 454 CG LYS A 29 1.169 -5.381 -7.099 1.00 14.94 C ATOM 455 CD LYS A 29 1.904 -4.543 -8.230 1.00 19.69 C ATOM 456 CE LYS A 29 2.938 -5.335 -9.030 1.00 22.63 C ATOM 457 NZ LYS A 29 3.578 -4.507 -10.043 1.00 24.98 N ATOM 0 H LYS A 29 -0.746 -2.552 -6.958 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.377 -5.141 -7.944 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.422 -3.624 -6.065 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.076 -5.138 -5.336 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.921 -5.745 -6.399 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.714 -6.256 -7.563 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.156 -4.148 -8.917 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.397 -3.687 -7.769 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.694 -5.734 -8.354 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.455 -6.188 -9.507 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.274 -5.075 -10.567 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.859 -4.146 -10.702 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.059 -3.707 -9.584 1.00 24.98 H new ATOM 471 N ILE A 30 -2.769 -4.232 -5.024 1.00 4.57 N ATOM 472 CA ILE A 30 -3.978 -4.498 -4.190 1.00 5.58 C ATOM 473 C ILE A 30 -5.228 -4.600 -5.053 1.00 7.26 C ATOM 474 O ILE A 30 -6.004 -5.524 -4.889 1.00 9.46 O ATOM 475 CB ILE A 30 -4.051 -3.416 -3.045 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.843 -3.590 -2.117 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.418 -3.553 -2.293 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.891 -2.780 -0.845 1.00 2.00 C ATOM 0 H ILE A 30 -2.255 -3.392 -4.759 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.908 -5.470 -3.703 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.007 -2.407 -3.454 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.755 -4.644 -1.855 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.941 -3.322 -2.666 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.473 -2.807 -1.500 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.237 -3.398 -2.995 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.496 -4.550 -1.859 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.993 -2.972 -0.257 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.944 -1.719 -1.091 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.771 -3.063 -0.267 1.00 2.00 H new ATOM 490 N GLN A 31 -5.382 -3.810 -6.090 1.00 7.06 N ATOM 491 CA GLN A 31 -6.499 -3.853 -7.083 1.00 8.67 C ATOM 492 C GLN A 31 -6.415 -5.145 -7.875 1.00 10.90 C ATOM 493 O GLN A 31 -7.423 -5.724 -8.143 1.00 9.63 O ATOM 494 CB GLN A 31 -6.474 -2.580 -8.027 1.00 9.12 C ATOM 495 CG GLN A 31 -7.565 -2.469 -9.042 1.00 10.76 C ATOM 496 CD GLN A 31 -7.478 -1.179 -9.909 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.294 -0.294 -9.801 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.418 -1.123 -10.709 1.00 14.76 N ATOM 0 H GLN A 31 -4.711 -3.071 -6.300 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.452 -3.830 -6.555 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.504 -1.691 -7.398 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.519 -2.566 -8.553 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.531 -3.340 -9.696 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.528 -2.490 -8.532 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.768 -1.908 -10.751 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.254 -0.295 -11.281 1.00 14.76 H new ATOM 507 N ASP A 32 -5.248 -5.620 -8.306 1.00 10.93 N ATOM 508 CA ASP A 32 -5.194 -6.896 -9.034 1.00 14.01 C ATOM 509 C ASP A 32 -5.661 -8.129 -8.179 1.00 14.04 C ATOM 510 O ASP A 32 -6.443 -8.976 -8.511 1.00 13.39 O ATOM 511 CB ASP A 32 -3.761 -7.029 -9.519 1.00 18.01 C ATOM 512 CG ASP A 32 -3.637 -8.234 -10.451 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.392 -8.319 -11.466 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.741 -9.032 -10.241 1.00 25.17 O ATOM 0 H ASP A 32 -4.348 -5.160 -8.172 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.898 -6.891 -9.866 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.459 -6.121 -10.042 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.089 -7.145 -8.668 1.00 18.01 H new ATOM 519 N LYS A 33 -5.065 -8.177 -6.964 1.00 14.22 N ATOM 520 CA LYS A 33 -5.452 -9.126 -5.894 1.00 14.00 C ATOM 521 C LYS A 33 -6.875 -9.038 -5.316 1.00 12.37 C ATOM 522 O LYS A 33 -7.558 -10.044 -5.335 1.00 12.17 O ATOM 523 CB LYS A 33 -4.366 -9.069 -4.807 1.00 18.62 C ATOM 524 CG LYS A 33 -3.024 -9.547 -5.337 1.00 24.00 C ATOM 525 CD LYS A 33 -2.254 -10.330 -4.360 1.00 27.61 C ATOM 526 CE LYS A 33 -0.889 -10.966 -4.839 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.989 -11.557 -6.180 1.00 30.06 N ATOM 0 H LYS A 33 -4.300 -7.557 -6.698 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.509 -10.103 -6.373 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.271 -8.047 -4.439 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.665 -9.686 -3.960 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.189 -10.153 -6.228 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.435 -8.683 -5.644 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.042 -9.686 -3.506 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.892 -11.137 -4.000 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.114 -10.200 -4.839 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.579 -11.733 -4.129 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.085 -12.006 -6.430 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.744 -12.272 -6.189 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.209 -10.812 -6.872 1.00 30.06 H new ATOM 541 N GLU A 34 -7.360 -7.886 -4.809 1.00 10.11 N ATOM 542 CA GLU A 34 -8.642 -7.750 -4.084 1.00 10.07 C ATOM 543 C GLU A 34 -9.748 -6.905 -4.771 1.00 9.32 C ATOM 544 O GLU A 34 -10.842 -6.732 -4.230 1.00 11.61 O ATOM 545 CB GLU A 34 -8.313 -6.992 -2.741 1.00 14.77 C ATOM 546 CG GLU A 34 -7.467 -7.792 -1.700 1.00 18.75 C ATOM 547 CD GLU A 34 -8.179 -8.932 -1.078 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.196 -8.547 -0.410 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.886 -10.154 -1.202 1.00 25.19 O ATOM 0 H GLU A 34 -6.859 -7.002 -4.894 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.036 -8.763 -3.996 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.780 -6.073 -2.985 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.252 -6.700 -2.271 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.568 -8.165 -2.191 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.142 -7.110 -0.914 1.00 18.75 H new ATOM 556 N GLY A 35 -9.514 -6.310 -5.964 1.00 7.22 N ATOM 557 CA GLY A 35 -10.483 -5.536 -6.751 1.00 6.29 C ATOM 558 C GLY A 35 -10.865 -4.156 -6.293 1.00 6.93 C ATOM 559 O GLY A 35 -11.675 -3.512 -6.926 1.00 7.41 O ATOM 0 H GLY A 35 -8.602 -6.363 -6.418 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.088 -5.448 -7.763 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.398 -6.125 -6.816 1.00 6.29 H new ATOM 563 N ILE A 36 -10.260 -3.675 -5.184 1.00 5.86 N ATOM 564 CA ILE A 36 -10.436 -2.337 -4.627 1.00 6.07 C ATOM 565 C ILE A 36 -9.810 -1.213 -5.501 1.00 6.36 C ATOM 566 O ILE A 36 -8.583 -1.224 -5.820 1.00 6.18 O ATOM 567 CB ILE A 36 -9.858 -2.238 -3.212 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.132 -3.469 -2.388 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.511 -1.003 -2.527 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.454 -3.360 -1.044 1.00 9.49 C ATOM 0 H ILE A 36 -9.611 -4.241 -4.638 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.515 -2.182 -4.603 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.775 -2.141 -3.282 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.206 -3.592 -2.252 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.773 -4.354 -2.913 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.122 -0.901 -1.514 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.277 -0.104 -3.098 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.592 -1.137 -2.489 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.660 -4.256 -0.459 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.378 -3.259 -1.186 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.833 -2.486 -0.515 1.00 9.49 H new ATOM 582 N PRO A 37 -10.479 -0.120 -5.844 1.00 8.65 N ATOM 583 CA PRO A 37 -9.796 0.955 -6.534 1.00 9.18 C ATOM 584 C PRO A 37 -8.800 1.772 -5.668 1.00 9.85 C ATOM 585 O PRO A 37 -9.122 2.039 -4.535 1.00 8.51 O ATOM 586 CB PRO A 37 -10.924 1.905 -6.997 1.00 11.42 C ATOM 587 CG PRO A 37 -12.151 0.940 -7.162 1.00 9.27 C ATOM 588 CD PRO A 37 -11.900 -0.098 -6.097 1.00 8.33 C ATOM 0 HA PRO A 37 -9.190 0.523 -7.330 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.121 2.686 -6.263 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.673 2.403 -7.933 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.098 1.458 -7.008 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.188 0.498 -8.158 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.448 0.145 -5.187 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.247 -1.078 -6.426 1.00 8.33 H new ATOM 596 N PRO A 38 -7.659 2.201 -6.218 1.00 8.71 N ATOM 597 CA PRO A 38 -6.760 3.118 -5.581 1.00 9.08 C ATOM 598 C PRO A 38 -7.351 4.305 -4.887 1.00 9.28 C ATOM 599 O PRO A 38 -6.868 4.675 -3.845 1.00 6.50 O ATOM 600 CB PRO A 38 -5.794 3.457 -6.666 1.00 10.31 C ATOM 601 CG PRO A 38 -5.703 2.237 -7.564 1.00 10.81 C ATOM 602 CD PRO A 38 -7.119 1.717 -7.490 1.00 12.00 C ATOM 0 HA PRO A 38 -6.300 2.650 -4.711 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.133 4.327 -7.228 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.817 3.706 -6.251 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.411 2.495 -8.582 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.977 1.510 -7.199 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.712 2.080 -8.329 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.138 0.628 -7.533 1.00 12.00 H new ATOM 610 N ASP A 39 -8.430 4.892 -5.463 1.00 11.20 N ATOM 611 CA ASP A 39 -9.273 5.896 -4.902 1.00 14.96 C ATOM 612 C ASP A 39 -9.749 5.738 -3.424 1.00 13.99 C ATOM 613 O ASP A 39 -9.778 6.684 -2.645 1.00 13.75 O ATOM 614 CB ASP A 39 -10.615 5.718 -5.701 1.00 24.16 C ATOM 615 CG ASP A 39 -10.420 5.986 -7.144 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.033 5.079 -7.891 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.650 7.146 -7.568 1.00 34.22 O ATOM 0 H ASP A 39 -8.728 4.633 -6.403 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.701 6.822 -4.948 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.990 4.704 -5.565 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.371 6.394 -5.302 1.00 24.16 H new ATOM 622 N GLN A 40 -10.050 4.466 -3.046 1.00 11.60 N ATOM 623 CA GLN A 40 -10.578 4.068 -1.744 1.00 10.76 C ATOM 624 C GLN A 40 -9.474 3.618 -0.804 1.00 8.01 C ATOM 625 O GLN A 40 -9.615 3.657 0.384 1.00 8.96 O ATOM 626 CB GLN A 40 -11.534 2.913 -1.936 1.00 11.14 C ATOM 627 CG GLN A 40 -12.303 2.501 -0.614 1.00 14.85 C ATOM 628 CD GLN A 40 -13.235 1.322 -0.707 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.335 0.574 0.283 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.881 1.080 -1.873 1.00 18.16 N ATOM 0 H GLN A 40 -9.921 3.673 -3.674 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.078 4.932 -1.306 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.262 3.178 -2.702 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.980 2.051 -2.308 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.562 2.288 0.157 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.878 3.362 -0.274 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.771 1.720 -2.660 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.478 0.258 -1.964 1.00 18.16 H new ATOM 639 N GLN A 41 -8.247 3.333 -1.290 1.00 6.52 N ATOM 640 CA GLN A 41 -7.287 2.623 -0.495 1.00 3.87 C ATOM 641 C GLN A 41 -6.305 3.615 0.155 1.00 4.79 C ATOM 642 O GLN A 41 -5.666 4.475 -0.457 1.00 6.34 O ATOM 643 CB GLN A 41 -6.362 1.711 -1.352 1.00 4.20 C ATOM 644 CG GLN A 41 -7.052 0.489 -2.050 1.00 3.20 C ATOM 645 CD GLN A 41 -6.010 -0.196 -2.897 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.872 -0.332 -2.402 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.378 -0.629 -4.112 1.00 7.13 N ATOM 0 H GLN A 41 -7.923 3.591 -2.222 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.875 2.045 0.218 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.892 2.325 -2.121 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.564 1.335 -0.712 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.456 -0.199 -1.307 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.889 0.821 -2.665 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.331 -0.476 -4.441 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.704 -1.111 -4.707 1.00 7.13 H new ATOM 656 N ARG A 42 -6.160 3.420 1.482 1.00 5.73 N ATOM 657 CA ARG A 42 -5.274 4.103 2.308 1.00 6.97 C ATOM 658 C ARG A 42 -4.192 3.118 2.826 1.00 7.15 C ATOM 659 O ARG A 42 -4.453 2.047 3.335 1.00 7.33 O ATOM 660 CB ARG A 42 -5.870 5.057 3.428 1.00 13.23 C ATOM 661 CG ARG A 42 -6.877 6.123 2.938 1.00 21.27 C ATOM 662 CD ARG A 42 -7.544 6.816 4.130 1.00 26.14 C ATOM 663 NE ARG A 42 -8.395 7.903 3.521 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.539 8.398 3.976 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.149 8.002 5.107 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.060 9.391 3.276 1.00 36.39 N ATOM 0 H ARG A 42 -6.714 2.730 1.989 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.820 4.858 1.667 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.361 4.440 4.181 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.043 5.566 3.923 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.364 6.861 2.321 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.635 5.655 2.311 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.150 6.116 4.706 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.802 7.231 4.812 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.048 8.308 2.651 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.731 7.271 5.682 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.029 8.433 5.390 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.583 9.731 2.441 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.939 9.817 3.571 1.00 36.39 H new ATOM 680 N LEU A 43 -2.942 3.438 2.553 1.00 4.65 N ATOM 681 CA LEU A 43 -1.856 2.548 2.931 1.00 3.51 C ATOM 682 C LEU A 43 -1.060 3.337 3.982 1.00 5.56 C ATOM 683 O LEU A 43 -0.637 4.489 3.791 1.00 4.19 O ATOM 684 CB LEU A 43 -0.915 2.206 1.835 1.00 3.74 C ATOM 685 CG LEU A 43 -1.536 1.606 0.610 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.477 1.207 -0.435 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.346 0.358 0.979 1.00 6.41 C ATOM 0 H LEU A 43 -2.653 4.293 2.078 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.284 1.602 3.263 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.381 3.111 1.544 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.173 1.508 2.223 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.186 2.368 0.180 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.970 0.776 -1.307 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.087 2.089 -0.736 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.202 0.472 -0.003 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.791 -0.066 0.079 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.689 -0.379 1.441 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.135 0.630 1.680 1.00 6.41 H new ATOM 699 N ILE A 44 -0.832 2.666 5.139 1.00 4.58 N ATOM 700 CA ILE A 44 -0.131 3.192 6.324 1.00 5.55 C ATOM 701 C ILE A 44 1.013 2.321 6.706 1.00 5.46 C ATOM 702 O ILE A 44 0.914 1.153 6.674 1.00 6.04 O ATOM 703 CB ILE A 44 -1.181 3.265 7.484 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.051 4.475 7.353 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.508 3.261 8.855 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.151 4.554 6.296 1.00 13.90 C ATOM 0 H ILE A 44 -1.147 1.705 5.271 1.00 4.58 H new ATOM 0 HA ILE A 44 0.284 4.177 6.111 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.803 2.373 7.402 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.529 4.628 8.320 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.389 5.325 7.186 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.269 3.313 9.634 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.071 2.345 8.973 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.155 4.122 8.937 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.661 5.514 6.373 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.710 4.456 5.304 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.868 3.748 6.456 1.00 13.90 H new ATOM 718 N PHE A 45 2.193 2.868 6.883 1.00 6.75 N ATOM 719 CA PHE A 45 3.345 2.171 7.344 1.00 4.70 C ATOM 720 C PHE A 45 4.088 3.092 8.322 1.00 6.34 C ATOM 721 O PHE A 45 4.289 4.258 8.037 1.00 5.45 O ATOM 722 CB PHE A 45 4.085 1.915 5.979 1.00 5.51 C ATOM 723 CG PHE A 45 5.615 1.690 6.096 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.449 2.801 6.281 1.00 5.87 C ATOM 725 CD2 PHE A 45 6.202 0.426 6.176 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.815 2.708 6.604 1.00 6.64 C ATOM 727 CE2 PHE A 45 7.555 0.237 6.470 1.00 6.68 C ATOM 728 CZ PHE A 45 8.339 1.390 6.761 1.00 6.84 C ATOM 0 H PHE A 45 2.372 3.855 6.698 1.00 6.75 H new ATOM 0 HA PHE A 45 3.200 1.244 7.898 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.640 1.043 5.500 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.907 2.766 5.321 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.018 3.785 6.169 1.00 5.87 H new ATOM 0 HD2 PHE A 45 5.584 -0.443 6.003 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.433 3.585 6.726 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.992 -0.751 6.476 1.00 6.68 H new ATOM 0 HZ PHE A 45 9.354 1.264 7.109 1.00 6.84 H new ATOM 738 N ALA A 46 4.370 2.545 9.495 1.00 6.53 N ATOM 739 CA ALA A 46 5.293 3.171 10.484 1.00 7.15 C ATOM 740 C ALA A 46 4.765 4.523 11.121 1.00 9.00 C ATOM 741 O ALA A 46 5.473 5.317 11.727 1.00 11.15 O ATOM 742 CB ALA A 46 6.750 3.303 9.944 1.00 8.99 C ATOM 0 H ALA A 46 3.976 1.657 9.806 1.00 6.53 H new ATOM 0 HA ALA A 46 5.318 2.465 11.314 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.379 3.765 10.705 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.139 2.314 9.702 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.751 3.922 9.047 1.00 8.99 H new ATOM 748 N GLY A 47 3.413 4.719 11.066 1.00 9.35 N ATOM 749 CA GLY A 47 2.636 5.937 11.426 1.00 11.68 C ATOM 750 C GLY A 47 2.518 6.977 10.401 1.00 11.14 C ATOM 751 O GLY A 47 2.023 8.065 10.683 1.00 13.93 O ATOM 0 H GLY A 47 2.797 3.972 10.745 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.631 5.626 11.710 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.094 6.382 12.309 1.00 11.68 H new ATOM 755 N LYS A 48 2.919 6.557 9.175 1.00 10.47 N ATOM 756 CA LYS A 48 2.780 7.483 8.074 1.00 8.82 C ATOM 757 C LYS A 48 1.719 7.017 7.159 1.00 7.68 C ATOM 758 O LYS A 48 1.707 5.830 6.778 1.00 6.47 O ATOM 759 CB LYS A 48 4.105 7.566 7.308 1.00 9.74 C ATOM 760 CG LYS A 48 5.218 8.242 8.099 1.00 14.14 C ATOM 761 CD LYS A 48 6.489 8.396 7.283 1.00 16.32 C ATOM 762 CE LYS A 48 7.612 9.153 7.955 1.00 20.04 C ATOM 763 NZ LYS A 48 8.791 9.212 7.109 1.00 23.92 N ATOM 0 H LYS A 48 3.313 5.643 8.952 1.00 10.47 H new ATOM 0 HA LYS A 48 2.516 8.466 8.464 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.422 6.560 7.035 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.946 8.113 6.379 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.881 9.224 8.432 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.431 7.658 8.994 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.852 7.403 7.019 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.241 8.903 6.350 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.281 10.164 8.191 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.864 8.671 8.900 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.543 9.738 7.598 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.120 8.247 6.904 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.555 9.694 6.218 1.00 23.92 H new ATOM 777 N GLN A 49 0.822 7.917 6.637 1.00 8.89 N ATOM 778 CA GLN A 49 -0.063 7.582 5.570 1.00 7.18 C ATOM 779 C GLN A 49 0.680 7.878 4.314 1.00 8.23 C ATOM 780 O GLN A 49 1.098 9.017 4.116 1.00 9.70 O ATOM 781 CB GLN A 49 -1.426 8.303 5.624 1.00 11.67 C ATOM 782 CG GLN A 49 -2.383 7.711 4.594 1.00 15.82 C ATOM 783 CD GLN A 49 -3.750 8.321 4.721 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.495 8.008 5.641 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.136 9.200 3.760 1.00 20.67 N ATOM 0 H GLN A 49 0.726 8.876 6.971 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.339 6.530 5.640 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.854 8.211 6.622 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.289 9.367 5.433 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.995 7.883 3.590 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.448 6.631 4.730 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.495 9.443 3.004 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.066 9.617 3.794 1.00 20.67 H new ATOM 794 N LEU A 50 0.877 6.933 3.392 1.00 6.51 N ATOM 795 CA LEU A 50 1.709 7.051 2.202 1.00 7.41 C ATOM 796 C LEU A 50 0.976 7.661 1.035 1.00 8.27 C ATOM 797 O LEU A 50 -0.130 7.311 0.737 1.00 8.34 O ATOM 798 CB LEU A 50 2.330 5.670 1.869 1.00 7.13 C ATOM 799 CG LEU A 50 2.788 4.747 3.034 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.148 3.375 2.501 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.888 5.381 3.824 1.00 9.11 C ATOM 0 H LEU A 50 0.434 6.017 3.464 1.00 6.51 H new ATOM 0 HA LEU A 50 2.518 7.750 2.414 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.601 5.116 1.278 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.194 5.844 1.228 1.00 7.13 H new ATOM 0 HG LEU A 50 1.961 4.611 3.731 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.467 2.737 3.325 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.278 2.933 2.016 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.959 3.467 1.778 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.188 4.713 4.631 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.742 5.569 3.173 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.537 6.324 4.244 1.00 9.11 H new ATOM 813 N GLU A 51 1.590 8.641 0.347 1.00 9.43 N ATOM 814 CA GLU A 51 0.973 9.466 -0.693 1.00 11.90 C ATOM 815 C GLU A 51 1.333 8.804 -2.073 1.00 11.49 C ATOM 816 O GLU A 51 2.493 8.633 -2.448 1.00 9.88 O ATOM 817 CB GLU A 51 1.361 10.924 -0.586 1.00 16.56 C ATOM 818 CG GLU A 51 0.704 11.762 -1.690 1.00 26.06 C ATOM 819 CD GLU A 51 1.063 13.231 -1.543 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.684 13.888 -0.560 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.673 13.822 -2.483 1.00 32.13 O ATOM 0 H GLU A 51 2.567 8.885 0.511 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.111 9.491 -0.578 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.066 11.310 0.390 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.445 11.019 -0.652 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.026 11.401 -2.667 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.379 11.642 -1.647 1.00 26.06 H new ATOM 828 N ASP A 52 0.233 8.417 -2.790 1.00 12.71 N ATOM 829 CA ASP A 52 0.136 7.794 -4.108 1.00 16.56 C ATOM 830 C ASP A 52 1.201 8.120 -5.158 1.00 15.83 C ATOM 831 O ASP A 52 1.660 7.214 -5.900 1.00 17.21 O ATOM 832 CB ASP A 52 -1.270 8.183 -4.741 1.00 21.05 C ATOM 833 CG ASP A 52 -2.446 7.940 -3.825 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.572 8.561 -2.693 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.311 7.144 -4.260 1.00 25.82 O ATOM 0 H ASP A 52 -0.697 8.559 -2.397 1.00 12.71 H new ATOM 0 HA ASP A 52 0.282 6.736 -3.890 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.252 9.237 -5.020 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.414 7.613 -5.659 1.00 21.05 H new ATOM 840 N GLY A 53 1.650 9.355 -5.247 1.00 15.00 N ATOM 841 CA GLY A 53 2.574 9.773 -6.268 1.00 11.77 C ATOM 842 C GLY A 53 3.962 9.541 -5.918 1.00 11.10 C ATOM 843 O GLY A 53 4.805 9.747 -6.770 1.00 11.25 O ATOM 0 H GLY A 53 1.378 10.099 -4.605 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.347 9.243 -7.193 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.429 10.835 -6.466 1.00 11.77 H new ATOM 847 N ARG A 54 4.297 9.163 -4.715 1.00 8.53 N ATOM 848 CA ARG A 54 5.692 9.076 -4.298 1.00 9.05 C ATOM 849 C ARG A 54 6.127 7.630 -4.202 1.00 8.96 C ATOM 850 O ARG A 54 5.324 6.670 -4.124 1.00 11.60 O ATOM 851 CB ARG A 54 6.012 9.836 -2.955 1.00 7.97 C ATOM 852 CG ARG A 54 5.148 11.108 -2.777 1.00 9.62 C ATOM 853 CD ARG A 54 5.555 11.896 -1.639 1.00 12.20 C ATOM 854 NE ARG A 54 4.666 13.097 -1.757 1.00 18.23 N ATOM 855 CZ ARG A 54 4.685 14.159 -0.924 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.801 14.364 -0.221 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.691 15.016 -0.815 1.00 23.38 N ATOM 0 H ARG A 54 3.625 8.906 -3.992 1.00 8.53 H new ATOM 0 HA ARG A 54 6.265 9.585 -5.073 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.844 9.165 -2.112 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.067 10.111 -2.939 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.213 11.717 -3.679 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.103 10.821 -2.661 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.401 11.365 -0.699 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.611 12.164 -1.685 1.00 12.20 H new ATOM 0 HE ARG A 54 3.995 13.113 -2.525 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.594 13.731 -0.326 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.861 15.154 0.421 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.849 14.895 -1.378 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.763 15.801 -0.167 1.00 23.38 H new ATOM 871 N THR A 55 7.450 7.448 -4.249 1.00 9.05 N ATOM 872 CA THR A 55 8.095 6.154 -4.159 1.00 9.03 C ATOM 873 C THR A 55 8.144 5.452 -2.776 1.00 8.15 C ATOM 874 O THR A 55 8.043 6.032 -1.718 1.00 5.91 O ATOM 875 CB THR A 55 9.447 6.109 -4.885 1.00 11.15 C ATOM 876 OG1 THR A 55 10.402 6.899 -4.201 1.00 11.95 O ATOM 877 CG2 THR A 55 9.262 6.558 -6.398 1.00 11.71 C ATOM 0 H THR A 55 8.109 8.220 -4.353 1.00 9.05 H new ATOM 0 HA THR A 55 7.385 5.529 -4.700 1.00 9.03 H new ATOM 0 HB THR A 55 9.826 5.087 -4.890 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.220 6.377 -4.063 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.225 6.524 -6.908 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.564 5.884 -6.895 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.870 7.575 -6.431 1.00 11.71 H new ATOM 885 N LEU A 56 8.359 4.097 -2.805 1.00 6.91 N ATOM 886 CA LEU A 56 8.713 3.410 -1.593 1.00 8.29 C ATOM 887 C LEU A 56 10.046 3.917 -1.009 1.00 8.05 C ATOM 888 O LEU A 56 10.232 4.125 0.185 1.00 10.17 O ATOM 889 CB LEU A 56 8.843 1.904 -1.833 1.00 6.60 C ATOM 890 CG LEU A 56 7.561 1.244 -2.405 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.692 -0.220 -2.774 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.362 1.403 -1.369 1.00 8.64 C ATOM 0 H LEU A 56 8.289 3.510 -3.636 1.00 6.91 H new ATOM 0 HA LEU A 56 7.910 3.612 -0.884 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.669 1.726 -2.521 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.101 1.417 -0.892 1.00 6.60 H new ATOM 0 HG LEU A 56 7.369 1.774 -3.338 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.741 -0.584 -3.163 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.464 -0.336 -3.535 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.966 -0.795 -1.889 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.465 0.937 -1.777 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.627 0.919 -0.429 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.173 2.462 -1.191 1.00 8.64 H new ATOM 904 N SER A 57 11.059 4.204 -1.852 1.00 8.92 N ATOM 905 CA SER A 57 12.351 4.785 -1.471 1.00 9.00 C ATOM 906 C SER A 57 12.269 6.169 -0.751 1.00 9.44 C ATOM 907 O SER A 57 12.908 6.454 0.231 1.00 10.91 O ATOM 908 CB SER A 57 13.295 4.845 -2.665 1.00 10.32 C ATOM 909 OG SER A 57 12.819 5.647 -3.690 1.00 13.59 O ATOM 0 H SER A 57 10.991 4.028 -2.854 1.00 8.92 H new ATOM 0 HA SER A 57 12.754 4.104 -0.721 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.264 5.221 -2.337 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.456 3.836 -3.045 1.00 10.32 H new ATOM 0 HG SER A 57 13.463 5.651 -4.429 1.00 13.59 H new ATOM 915 N ASP A 58 11.279 7.012 -1.187 1.00 9.11 N ATOM 916 CA ASP A 58 10.943 8.267 -0.569 1.00 7.91 C ATOM 917 C ASP A 58 10.453 8.088 0.892 1.00 9.12 C ATOM 918 O ASP A 58 10.886 8.777 1.818 1.00 8.61 O ATOM 919 CB ASP A 58 9.926 9.009 -1.409 1.00 8.41 C ATOM 920 CG ASP A 58 9.932 10.475 -1.196 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.068 11.021 -0.050 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.723 11.264 -2.224 1.00 11.70 O ATOM 0 H ASP A 58 10.700 6.800 -1.999 1.00 9.11 H new ATOM 0 HA ASP A 58 11.852 8.866 -0.517 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.118 8.803 -2.462 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.932 8.622 -1.185 1.00 8.41 H new ATOM 927 N TYR A 59 9.647 6.999 1.206 1.00 7.97 N ATOM 928 CA TYR A 59 9.075 6.762 2.486 1.00 8.45 C ATOM 929 C TYR A 59 9.863 5.723 3.292 1.00 10.98 C ATOM 930 O TYR A 59 9.384 5.150 4.288 1.00 12.95 O ATOM 931 CB TYR A 59 7.673 6.211 2.351 1.00 7.94 C ATOM 932 CG TYR A 59 6.616 7.231 2.139 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.279 8.146 3.145 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.065 7.395 0.872 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.330 9.149 2.932 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.068 8.306 0.673 1.00 6.52 C ATOM 937 CZ TYR A 59 4.666 9.183 1.697 1.00 6.76 C ATOM 938 OH TYR A 59 3.646 10.170 1.435 1.00 7.63 O ATOM 0 H TYR A 59 9.407 6.281 0.523 1.00 7.97 H new ATOM 0 HA TYR A 59 9.087 7.725 2.996 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.653 5.510 1.517 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.434 5.643 3.250 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.764 8.074 4.107 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.426 6.801 0.045 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.113 9.879 3.698 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.579 8.354 -0.289 1.00 6.52 H new ATOM 0 HH TYR A 59 4.027 10.901 0.905 1.00 7.63 H new ATOM 948 N ASN A 60 11.084 5.347 2.878 1.00 12.38 N ATOM 949 CA ASN A 60 11.973 4.373 3.504 1.00 13.94 C ATOM 950 C ASN A 60 11.494 2.975 3.714 1.00 14.16 C ATOM 951 O ASN A 60 11.783 2.254 4.677 1.00 14.26 O ATOM 952 CB ASN A 60 12.643 4.920 4.842 1.00 19.23 C ATOM 953 CG ASN A 60 13.265 6.249 4.528 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.723 7.267 5.001 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.317 6.209 3.706 1.00 24.09 N ATOM 0 H ASN A 60 11.499 5.748 2.037 1.00 12.38 H new ATOM 0 HA ASN A 60 12.709 4.266 2.707 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.896 5.023 5.629 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.396 4.221 5.206 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.761 7.076 3.403 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.677 5.311 3.381 1.00 24.09 H new ATOM 962 N ILE A 61 10.747 2.434 2.714 1.00 11.08 N ATOM 963 CA ILE A 61 10.127 1.098 2.690 1.00 11.78 C ATOM 964 C ILE A 61 11.169 0.174 2.103 1.00 13.74 C ATOM 965 O ILE A 61 11.592 0.333 0.973 1.00 14.60 O ATOM 966 CB ILE A 61 8.795 1.049 1.960 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.783 1.712 3.026 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.313 -0.420 1.635 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.540 2.165 2.273 1.00 11.42 C ATOM 0 H ILE A 61 10.556 2.955 1.858 1.00 11.08 H new ATOM 0 HA ILE A 61 9.851 0.787 3.697 1.00 11.78 H new ATOM 0 HB ILE A 61 8.853 1.551 0.994 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.519 0.992 3.800 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.256 2.558 3.526 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.356 -0.382 1.114 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.051 -0.914 1.003 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.198 -0.979 2.564 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.837 2.618 2.971 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.820 2.896 1.514 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.072 1.306 1.793 1.00 11.42 H new ATOM 981 N GLN A 62 11.498 -0.880 2.829 1.00 13.97 N ATOM 982 CA GLN A 62 12.600 -1.877 2.537 1.00 15.52 C ATOM 983 C GLN A 62 12.097 -3.266 2.511 1.00 13.94 C ATOM 984 O GLN A 62 10.929 -3.537 2.758 1.00 12.15 O ATOM 985 CB GLN A 62 13.736 -1.798 3.501 1.00 19.53 C ATOM 986 CG GLN A 62 14.476 -0.464 3.507 1.00 26.38 C ATOM 987 CD GLN A 62 15.392 -0.366 4.781 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.982 0.207 5.806 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.654 -0.824 4.795 1.00 32.71 N ATOM 0 H GLN A 62 10.999 -1.106 3.689 1.00 13.97 H new ATOM 0 HA GLN A 62 12.969 -1.602 1.549 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.357 -1.992 4.504 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.447 -2.591 3.270 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.081 -0.370 2.605 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.761 0.359 3.498 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.033 -1.300 3.976 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.234 -0.696 5.624 1.00 32.71 H new ATOM 998 N LYS A 63 12.906 -4.210 2.157 1.00 11.73 N ATOM 999 CA LYS A 63 12.464 -5.533 1.924 1.00 11.97 C ATOM 1000 C LYS A 63 11.802 -6.175 3.171 1.00 10.41 C ATOM 1001 O LYS A 63 12.187 -5.996 4.358 1.00 9.59 O ATOM 1002 CB LYS A 63 13.561 -6.522 1.385 1.00 13.73 C ATOM 1003 CG LYS A 63 14.713 -6.853 2.412 1.00 16.98 C ATOM 1004 CD LYS A 63 15.897 -7.588 1.731 1.00 20.19 C ATOM 1005 CE LYS A 63 15.437 -8.983 1.357 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.430 -9.766 2.557 1.00 25.97 N ATOM 0 H LYS A 63 13.908 -4.075 2.021 1.00 11.73 H new ATOM 0 HA LYS A 63 11.727 -5.397 1.133 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.078 -7.453 1.090 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.006 -6.095 0.486 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.071 -5.929 2.866 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.316 -7.471 3.217 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.222 -7.044 0.844 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.752 -7.638 2.405 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.442 -8.953 0.912 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.105 -9.422 0.616 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.927 -10.664 2.388 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.910 -9.242 3.316 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.448 -9.961 2.838 1.00 25.97 H new ATOM 1020 N GLU A 64 10.725 -6.887 2.885 1.00 10.04 N ATOM 1021 CA GLU A 64 9.921 -7.576 3.860 1.00 10.94 C ATOM 1022 C GLU A 64 9.153 -6.630 4.798 1.00 9.74 C ATOM 1023 O GLU A 64 8.653 -7.064 5.797 1.00 9.42 O ATOM 1024 CB GLU A 64 10.812 -8.781 4.394 1.00 18.31 C ATOM 1025 CG GLU A 64 11.377 -9.794 3.363 1.00 24.16 C ATOM 1026 CD GLU A 64 12.326 -10.791 4.006 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.030 -11.193 5.146 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.277 -11.173 3.265 1.00 31.72 O ATOM 0 H GLU A 64 10.381 -7.000 1.932 1.00 10.04 H new ATOM 0 HA GLU A 64 9.026 -8.062 3.472 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.655 -8.355 4.937 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.217 -9.339 5.116 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.553 -10.330 2.892 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.899 -9.254 2.573 1.00 24.16 H new ATOM 1035 N SER A 65 8.996 -5.350 4.470 1.00 6.85 N ATOM 1036 CA SER A 65 8.157 -4.371 5.120 1.00 6.90 C ATOM 1037 C SER A 65 6.681 -4.791 5.110 1.00 4.72 C ATOM 1038 O SER A 65 6.169 -5.264 4.111 1.00 3.91 O ATOM 1039 CB SER A 65 8.124 -3.002 4.341 1.00 7.28 C ATOM 1040 OG SER A 65 9.368 -2.338 4.459 1.00 10.56 O ATOM 0 H SER A 65 9.497 -4.948 3.678 1.00 6.85 H new ATOM 0 HA SER A 65 8.580 -4.284 6.121 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.898 -3.180 3.290 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.328 -2.370 4.736 1.00 7.28 H new ATOM 0 HG SER A 65 10.009 -2.731 3.831 1.00 10.56 H new ATOM 1046 N THR A 66 5.959 -4.469 6.220 1.00 4.48 N ATOM 1047 CA THR A 66 4.489 -4.634 6.348 1.00 3.80 C ATOM 1048 C THR A 66 3.759 -3.328 6.175 1.00 4.60 C ATOM 1049 O THR A 66 4.019 -2.365 6.913 1.00 5.33 O ATOM 1050 CB THR A 66 4.092 -5.190 7.747 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.871 -6.233 8.276 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.628 -5.649 7.738 1.00 3.40 C ATOM 0 H THR A 66 6.391 -4.083 7.060 1.00 4.48 H new ATOM 0 HA THR A 66 4.207 -5.334 5.562 1.00 3.80 H new ATOM 0 HB THR A 66 4.272 -4.339 8.404 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.521 -6.489 9.155 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.362 -6.036 8.722 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.983 -4.805 7.494 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.497 -6.433 6.992 1.00 3.40 H new ATOM 1060 N LEU A 67 2.930 -3.224 5.195 1.00 4.17 N ATOM 1061 CA LEU A 67 2.014 -2.164 4.996 1.00 3.85 C ATOM 1062 C LEU A 67 0.626 -2.513 5.516 1.00 3.80 C ATOM 1063 O LEU A 67 0.104 -3.592 5.253 1.00 5.54 O ATOM 1064 CB LEU A 67 1.747 -1.914 3.514 1.00 7.18 C ATOM 1065 CG LEU A 67 3.020 -1.595 2.672 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.566 -1.274 1.234 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.850 -0.425 3.205 1.00 11.66 C ATOM 0 H LEU A 67 2.874 -3.930 4.461 1.00 4.17 H new ATOM 0 HA LEU A 67 2.471 -1.316 5.505 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.259 -2.793 3.093 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.047 -1.084 3.419 1.00 7.18 H new ATOM 0 HG LEU A 67 3.668 -2.470 2.723 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.437 -1.046 0.620 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.043 -2.135 0.817 1.00 8.12 H new ATOM 0 HD13 LEU A 67 1.896 -0.414 1.247 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.716 -0.271 2.562 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.240 0.478 3.216 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.185 -0.648 4.218 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.053 -1.498 6.020 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.389 -1.666 6.563 1.00 4.17 C ATOM 1081 C HIS A 68 -2.312 -1.030 5.610 1.00 5.32 C ATOM 1082 O HIS A 68 -2.109 0.075 5.124 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.549 -0.889 7.925 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.510 -1.397 8.829 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.725 -0.773 9.010 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.378 -2.568 9.517 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.496 -1.535 9.755 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.888 -2.603 10.120 1.00 16.30 N ATOM 0 H HIS A 68 0.302 -0.543 6.064 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.584 -2.726 6.724 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.438 0.185 7.773 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.541 -1.050 8.347 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.989 0.134 8.624 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.127 -3.343 9.586 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.513 -1.292 10.025 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.406 -1.783 5.263 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.455 -1.339 4.306 1.00 3.97 C ATOM 1098 C LEU A 69 -5.722 -0.798 5.059 1.00 5.07 C ATOM 1099 O LEU A 69 -6.333 -1.562 5.863 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.891 -2.446 3.335 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.049 -2.151 2.314 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.817 -0.878 1.471 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.419 -3.429 1.527 1.00 9.96 C ATOM 0 H LEU A 69 -3.577 -2.714 5.644 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.997 -0.539 3.724 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.014 -2.744 2.761 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.190 -3.308 3.931 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.946 -1.888 2.875 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.655 -0.736 0.788 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.736 -0.014 2.131 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.896 -0.984 0.898 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.222 -3.204 0.825 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.547 -3.784 0.978 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.749 -4.201 2.222 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.035 0.500 4.850 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.073 1.169 5.591 1.00 6.26 C ATOM 1117 C VAL A 70 -7.987 1.632 4.492 1.00 9.22 C ATOM 1118 O VAL A 70 -7.540 2.185 3.499 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.572 2.393 6.347 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.706 3.202 6.949 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.712 1.897 7.571 1.00 8.54 C ATOM 0 H VAL A 70 -5.566 1.091 4.163 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.517 0.518 6.345 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.016 3.006 5.638 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.298 4.064 7.477 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.370 3.544 6.155 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.266 2.580 7.647 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.342 2.758 8.128 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.330 1.280 8.224 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.869 1.309 7.209 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.317 1.391 4.547 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.190 1.746 3.503 1.00 16.06 C ATOM 1133 C LEU A 71 -11.171 2.821 3.828 1.00 18.09 C ATOM 1134 O LEU A 71 -11.834 2.860 4.855 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.904 0.430 3.080 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.857 -0.566 2.599 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.507 -1.975 2.412 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.367 -0.134 1.227 1.00 19.57 C ATOM 0 H LEU A 71 -9.776 0.941 5.339 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.608 2.189 2.695 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.460 0.016 3.921 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.626 0.630 2.288 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.049 -0.604 3.330 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.752 -2.681 2.068 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.916 -2.316 3.363 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.307 -1.912 1.675 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.616 -0.839 0.870 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.206 -0.114 0.531 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.927 0.861 1.294 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.248 3.838 2.900 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.192 4.977 2.974 1.00 25.83 C ATOM 1152 C ARG A 72 -13.631 4.614 3.000 1.00 27.74 C ATOM 1153 O ARG A 72 -14.019 3.763 2.207 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.926 5.931 1.806 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.533 7.316 1.891 1.00 31.79 C ATOM 1156 CD ARG A 72 -12.276 8.342 0.790 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.827 9.612 1.286 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.309 10.797 0.859 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.496 10.854 -0.196 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.674 11.961 1.397 1.00 35.02 N ATOM 0 H ARG A 72 -10.644 3.875 2.079 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.000 5.450 3.937 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.847 6.041 1.699 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.290 5.458 0.894 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.613 7.190 1.968 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.196 7.758 2.828 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.210 8.433 0.582 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.758 8.044 -0.141 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.600 9.605 1.952 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.252 10.001 -0.699 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.118 11.751 -0.501 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.360 11.981 2.151 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -12.267 12.831 1.054 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.424 5.334 3.861 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.902 5.222 3.869 1.00 30.76 C ATOM 1176 C LEU A 73 -16.585 6.386 3.179 1.00 32.18 C ATOM 1177 O LEU A 73 -16.202 7.515 3.260 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.383 5.144 5.312 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.757 3.965 6.094 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.487 3.919 7.445 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.062 2.628 5.376 1.00 29.11 C ATOM 0 H LEU A 73 -14.055 5.990 4.549 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.164 4.321 3.315 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.143 6.078 5.820 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.468 5.045 5.323 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.679 4.097 6.184 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.088 3.102 8.047 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.340 4.863 7.970 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.552 3.759 7.278 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.617 1.805 5.935 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.141 2.485 5.317 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.643 2.652 4.370 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.765 6.113 2.530 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.508 7.104 1.853 1.00 35.33 C ATOM 1195 C ARG A 74 -19.046 8.292 2.667 1.00 36.22 C ATOM 1196 O ARG A 74 -18.905 9.471 2.258 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.678 6.444 1.175 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.253 5.607 -0.052 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.898 6.525 -1.217 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.201 5.650 -2.215 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.455 6.122 -3.220 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.172 7.386 -3.424 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.810 5.292 -4.005 1.00 41.93 N ATOM 0 H ARG A 74 -18.184 5.184 2.492 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.779 7.550 1.176 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.193 5.801 1.889 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.390 7.207 0.862 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.396 4.983 0.203 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.062 4.936 -0.341 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.792 6.977 -1.647 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.253 7.341 -0.892 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.301 4.639 -2.123 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.530 8.098 -2.788 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.593 7.657 -4.219 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.877 4.286 -3.849 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.241 5.652 -4.771 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.607 8.014 3.834 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.065 8.950 4.911 1.00 36.07 C ATOM 1219 C GLY A 75 -19.060 9.547 5.845 1.00 36.16 C ATOM 1220 O GLY A 75 -19.383 10.350 6.683 1.00 36.26 O ATOM 0 H GLY A 75 -19.780 7.044 4.099 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.590 9.773 4.427 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.798 8.417 5.517 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.788 9.052 5.882 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.800 9.495 6.839 1.00 36.19 C ATOM 1226 C GLY A 76 -15.517 10.020 6.225 1.00 36.20 C ATOM 1227 O GLY A 76 -15.574 10.980 5.418 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.448 9.388 6.445 1.00 0.00 O ATOM 0 H GLY A 76 -17.447 8.337 5.239 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.238 10.278 7.458 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.557 8.664 7.501 1.00 36.19 H new TER 1232 GLY A 76