USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 619 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 9 MET CE :methyl -166:sc= -0.844 (180deg=-0.738) USER MOD Set 1.2: A 69 MET CE :methyl 150:sc= -0.0183 (180deg=-1.45) USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.41) USER MOD Set 3.1: A 18 HIS : no HE2:sc= -0.93 X(o=-2.3,f=-2.5) USER MOD Set 3.2: A 74 ASN : amide:sc= -1.35 K(o=-2.3,f=-3.9) USER MOD Single : A 2 MET CE :methyl 145:sc= -0.103 (180deg=-0.992) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.95 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot -151:sc= -0.833 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -0.359 (180deg=-0.682) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0122 K(o=-0.012,f=-2!) USER MOD Single : A 55 THR OG1 : rot -50:sc= 1.22 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0106 F(o=-0.6,f=-0.011) USER MOD Single : A 63 SER OG : rot -111:sc= 0.0649 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -5.82! C(o=-5.8!,f=-10!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 55:sc= -0.446 USER MOD Single : A 78 ASN : amide:sc= -2.17 X(o=-2.2,f=-2.1!) USER MOD Single : A 79 LYS NZ :NH3+ -174:sc= 0.0704 (180deg=0.0624) USER MOD Single : A 83 GLN : amide:sc= -3.47 K(o=-3.5,f=-4.1!) USER MOD Single : A 85 ASN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N MET A 2 -30.621 -16.308 -15.173 1.00 0.00 N ATOM 18 CA MET A 2 -29.389 -17.069 -15.348 1.00 0.00 C ATOM 19 C MET A 2 -29.685 -18.462 -15.894 1.00 0.00 C ATOM 20 O MET A 2 -30.126 -19.345 -15.159 1.00 0.00 O ATOM 21 CB MET A 2 -28.638 -17.177 -14.020 1.00 0.00 C ATOM 22 CG MET A 2 -27.321 -17.931 -14.125 1.00 0.00 C ATOM 23 SD MET A 2 -26.977 -18.933 -12.666 1.00 0.00 S ATOM 24 CE MET A 2 -28.002 -20.366 -12.989 1.00 0.00 C ATOM 0 HA MET A 2 -28.763 -16.541 -16.068 1.00 0.00 H new ATOM 0 HB2 MET A 2 -28.444 -16.174 -13.639 1.00 0.00 H new ATOM 0 HB3 MET A 2 -29.276 -17.677 -13.291 1.00 0.00 H new ATOM 0 HG2 MET A 2 -27.344 -18.573 -15.005 1.00 0.00 H new ATOM 0 HG3 MET A 2 -26.509 -17.218 -14.271 1.00 0.00 H new ATOM 0 HE1 MET A 2 -27.505 -21.261 -12.614 1.00 0.00 H new ATOM 0 HE2 MET A 2 -28.962 -20.247 -12.487 1.00 0.00 H new ATOM 0 HE3 MET A 2 -28.163 -20.463 -14.063 1.00 0.00 H new ATOM 34 N ASN A 3 -29.443 -18.650 -17.187 1.00 0.00 N ATOM 35 CA ASN A 3 -29.686 -19.936 -17.829 1.00 0.00 C ATOM 36 C ASN A 3 -28.399 -20.509 -18.414 1.00 0.00 C ATOM 37 O ASN A 3 -27.744 -19.873 -19.241 1.00 0.00 O ATOM 38 CB ASN A 3 -30.739 -19.788 -18.930 1.00 0.00 C ATOM 39 CG ASN A 3 -32.130 -20.161 -18.453 1.00 0.00 C ATOM 40 OD1 ASN A 3 -32.836 -19.344 -17.864 1.00 0.00 O ATOM 41 ND2 ASN A 3 -32.528 -21.402 -18.707 1.00 0.00 N ATOM 0 H ASN A 3 -29.079 -17.929 -17.810 1.00 0.00 H new ATOM 0 HA ASN A 3 -30.055 -20.627 -17.071 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -30.744 -18.758 -19.288 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -30.467 -20.418 -19.777 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -33.454 -21.712 -18.410 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -31.908 -22.046 -19.199 1.00 0.00 H new ATOM 48 N ILE A 4 -28.046 -21.716 -17.984 1.00 0.00 N ATOM 49 CA ILE A 4 -26.841 -22.380 -18.467 1.00 0.00 C ATOM 50 C ILE A 4 -27.183 -23.712 -19.129 1.00 0.00 C ATOM 51 O ILE A 4 -27.836 -24.564 -18.527 1.00 0.00 O ATOM 52 CB ILE A 4 -25.835 -22.629 -17.325 1.00 0.00 C ATOM 53 CG1 ILE A 4 -25.588 -21.339 -16.537 1.00 0.00 C ATOM 54 CG2 ILE A 4 -24.527 -23.176 -17.877 1.00 0.00 C ATOM 55 CD1 ILE A 4 -24.621 -21.508 -15.384 1.00 0.00 C ATOM 0 H ILE A 4 -28.578 -22.255 -17.301 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.384 -21.715 -19.200 1.00 0.00 H new ATOM 0 HB ILE A 4 -26.259 -23.370 -16.647 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -25.202 -20.577 -17.215 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -26.539 -20.971 -16.152 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.829 -23.346 -17.057 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.715 -24.117 -18.394 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -24.098 -22.458 -18.576 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -24.495 -20.554 -14.872 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.014 -22.246 -14.685 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -23.657 -21.846 -15.764 1.00 0.00 H new ATOM 67 N THR A 5 -26.739 -23.887 -20.371 1.00 0.00 N ATOM 68 CA THR A 5 -27.000 -25.118 -21.109 1.00 0.00 C ATOM 69 C THR A 5 -25.739 -25.624 -21.795 1.00 0.00 C ATOM 70 O THR A 5 -24.782 -24.875 -21.989 1.00 0.00 O ATOM 71 CB THR A 5 -28.103 -24.900 -22.143 1.00 0.00 C ATOM 72 OG1 THR A 5 -27.968 -23.634 -22.765 1.00 0.00 O ATOM 73 CG2 THR A 5 -29.495 -24.986 -21.558 1.00 0.00 C ATOM 0 H THR A 5 -26.198 -23.193 -20.886 1.00 0.00 H new ATOM 0 HA THR A 5 -27.329 -25.871 -20.393 1.00 0.00 H new ATOM 0 HB THR A 5 -27.983 -25.705 -22.868 1.00 0.00 H new ATOM 0 HG1 THR A 5 -28.683 -23.516 -23.424 1.00 0.00 H new ATOM 0 HG21 THR A 5 -30.231 -24.822 -22.345 1.00 0.00 H new ATOM 0 HG22 THR A 5 -29.645 -25.973 -21.120 1.00 0.00 H new ATOM 0 HG23 THR A 5 -29.613 -24.225 -20.786 1.00 0.00 H new ATOM 81 N SER A 6 -25.740 -26.903 -22.153 1.00 0.00 N ATOM 82 CA SER A 6 -24.593 -27.518 -22.809 1.00 0.00 C ATOM 83 C SER A 6 -24.992 -28.835 -23.466 1.00 0.00 C ATOM 84 O SER A 6 -25.811 -29.584 -22.933 1.00 0.00 O ATOM 85 CB SER A 6 -23.473 -27.759 -21.795 1.00 0.00 C ATOM 86 OG SER A 6 -23.760 -28.878 -20.974 1.00 0.00 O ATOM 0 H SER A 6 -26.525 -27.536 -21.999 1.00 0.00 H new ATOM 0 HA SER A 6 -24.234 -26.839 -23.582 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.532 -27.921 -22.320 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.343 -26.872 -21.174 1.00 0.00 H new ATOM 0 HG SER A 6 -23.028 -29.012 -20.336 1.00 0.00 H new ATOM 92 N LYS A 7 -24.413 -29.107 -24.633 1.00 0.00 N ATOM 93 CA LYS A 7 -24.714 -30.329 -25.370 1.00 0.00 C ATOM 94 C LYS A 7 -23.599 -31.357 -25.203 1.00 0.00 C ATOM 95 O LYS A 7 -23.342 -32.160 -26.101 1.00 0.00 O ATOM 96 CB LYS A 7 -24.912 -30.015 -26.854 1.00 0.00 C ATOM 97 CG LYS A 7 -25.787 -28.797 -27.107 1.00 0.00 C ATOM 98 CD LYS A 7 -26.749 -29.026 -28.263 1.00 0.00 C ATOM 99 CE LYS A 7 -28.198 -28.999 -27.800 1.00 0.00 C ATOM 100 NZ LYS A 7 -29.080 -28.296 -28.771 1.00 0.00 N ATOM 0 H LYS A 7 -23.733 -28.497 -25.087 1.00 0.00 H new ATOM 0 HA LYS A 7 -25.634 -30.750 -24.965 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -23.938 -29.854 -27.316 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -25.358 -30.881 -27.344 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -26.352 -28.561 -26.205 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -25.157 -27.935 -27.323 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -26.595 -28.260 -29.023 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -26.534 -29.987 -28.731 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -28.553 -30.020 -27.661 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -28.260 -28.505 -26.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -30.058 -28.300 -28.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -28.757 -27.314 -28.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -29.042 -28.782 -29.690 1.00 0.00 H new ATOM 114 N GLN A 8 -22.946 -31.331 -24.048 1.00 0.00 N ATOM 115 CA GLN A 8 -21.870 -32.259 -23.758 1.00 0.00 C ATOM 116 C GLN A 8 -21.932 -32.717 -22.305 1.00 0.00 C ATOM 117 O GLN A 8 -21.850 -33.911 -22.015 1.00 0.00 O ATOM 118 CB GLN A 8 -20.512 -31.616 -24.054 1.00 0.00 C ATOM 119 CG GLN A 8 -19.555 -32.534 -24.796 1.00 0.00 C ATOM 120 CD GLN A 8 -19.872 -32.636 -26.274 1.00 0.00 C ATOM 121 OE1 GLN A 8 -20.307 -33.683 -26.756 1.00 0.00 O ATOM 122 NE2 GLN A 8 -19.657 -31.547 -27.004 1.00 0.00 N ATOM 0 H GLN A 8 -23.147 -30.672 -23.296 1.00 0.00 H new ATOM 0 HA GLN A 8 -21.990 -33.131 -24.401 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.668 -30.713 -24.644 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -20.052 -31.308 -23.115 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -18.536 -32.167 -24.671 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -19.593 -33.528 -24.351 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -19.296 -30.701 -26.564 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -19.853 -31.557 -28.005 1.00 0.00 H new ATOM 131 N MET A 9 -22.080 -31.759 -21.397 1.00 0.00 N ATOM 132 CA MET A 9 -22.160 -32.059 -19.972 1.00 0.00 C ATOM 133 C MET A 9 -23.493 -31.593 -19.399 1.00 0.00 C ATOM 134 O MET A 9 -24.371 -31.138 -20.132 1.00 0.00 O ATOM 135 CB MET A 9 -21.007 -31.389 -19.218 1.00 0.00 C ATOM 136 CG MET A 9 -19.692 -31.391 -19.980 1.00 0.00 C ATOM 137 SD MET A 9 -19.452 -29.890 -20.951 1.00 0.00 S ATOM 138 CE MET A 9 -18.001 -29.201 -20.159 1.00 0.00 C ATOM 0 H MET A 9 -22.147 -30.767 -21.623 1.00 0.00 H new ATOM 0 HA MET A 9 -22.083 -33.139 -19.848 1.00 0.00 H new ATOM 0 HB2 MET A 9 -21.283 -30.359 -18.991 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.864 -31.898 -18.265 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.868 -31.499 -19.275 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.661 -32.257 -20.642 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.873 -28.165 -20.472 1.00 0.00 H new ATOM 0 HE2 MET A 9 -18.124 -29.240 -19.077 1.00 0.00 H new ATOM 0 HE3 MET A 9 -17.122 -29.778 -20.445 1.00 0.00 H new ATOM 148 N GLU A 10 -23.638 -31.705 -18.083 1.00 0.00 N ATOM 149 CA GLU A 10 -24.865 -31.292 -17.411 1.00 0.00 C ATOM 150 C GLU A 10 -24.600 -30.105 -16.491 1.00 0.00 C ATOM 151 O GLU A 10 -23.448 -29.761 -16.224 1.00 0.00 O ATOM 152 CB GLU A 10 -25.450 -32.455 -16.607 1.00 0.00 C ATOM 153 CG GLU A 10 -24.430 -33.156 -15.724 1.00 0.00 C ATOM 154 CD GLU A 10 -23.847 -34.394 -16.378 1.00 0.00 C ATOM 155 OE1 GLU A 10 -24.619 -35.332 -16.665 1.00 0.00 O ATOM 156 OE2 GLU A 10 -22.619 -34.424 -16.602 1.00 0.00 O ATOM 0 H GLU A 10 -22.921 -32.078 -17.460 1.00 0.00 H new ATOM 0 HA GLU A 10 -25.585 -30.990 -18.172 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.263 -32.083 -15.984 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -25.883 -33.181 -17.295 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.624 -32.462 -15.484 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -24.901 -33.435 -14.782 1.00 0.00 H new ATOM 163 N ILE A 11 -25.670 -29.474 -16.018 1.00 0.00 N ATOM 164 CA ILE A 11 -25.547 -28.320 -15.139 1.00 0.00 C ATOM 165 C ILE A 11 -25.538 -28.744 -13.676 1.00 0.00 C ATOM 166 O ILE A 11 -26.523 -29.272 -13.161 1.00 0.00 O ATOM 167 CB ILE A 11 -26.702 -27.332 -15.368 1.00 0.00 C ATOM 168 CG1 ILE A 11 -26.957 -27.166 -16.869 1.00 0.00 C ATOM 169 CG2 ILE A 11 -26.396 -25.992 -14.712 1.00 0.00 C ATOM 170 CD1 ILE A 11 -25.941 -26.286 -17.567 1.00 0.00 C ATOM 0 H ILE A 11 -26.631 -29.743 -16.229 1.00 0.00 H new ATOM 0 HA ILE A 11 -24.601 -27.832 -15.376 1.00 0.00 H new ATOM 0 HB ILE A 11 -27.606 -27.730 -14.907 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -26.956 -28.149 -17.339 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -27.951 -26.744 -17.015 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -27.224 -25.305 -14.884 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -26.260 -26.134 -13.640 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -25.485 -25.576 -15.142 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -26.187 -26.216 -18.626 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -25.957 -25.290 -17.124 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -24.947 -26.718 -17.454 1.00 0.00 H new ATOM 182 N THR A 12 -24.414 -28.500 -13.013 1.00 0.00 N ATOM 183 CA THR A 12 -24.264 -28.847 -11.605 1.00 0.00 C ATOM 184 C THR A 12 -24.473 -27.622 -10.717 1.00 0.00 C ATOM 185 O THR A 12 -24.165 -26.499 -11.115 1.00 0.00 O ATOM 186 CB THR A 12 -22.879 -29.442 -11.350 1.00 0.00 C ATOM 187 OG1 THR A 12 -21.890 -28.428 -11.345 1.00 0.00 O ATOM 188 CG2 THR A 12 -22.471 -30.476 -12.378 1.00 0.00 C ATOM 0 H THR A 12 -23.592 -28.062 -13.429 1.00 0.00 H new ATOM 0 HA THR A 12 -25.023 -29.589 -11.357 1.00 0.00 H new ATOM 0 HB THR A 12 -22.950 -29.929 -10.378 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.034 -28.804 -11.640 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.479 -30.857 -12.137 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.187 -31.298 -12.371 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.454 -30.018 -13.367 1.00 0.00 H new ATOM 196 N PRO A 13 -24.986 -27.823 -9.490 1.00 0.00 N ATOM 197 CA PRO A 13 -25.214 -26.725 -8.546 1.00 0.00 C ATOM 198 C PRO A 13 -23.940 -25.934 -8.275 1.00 0.00 C ATOM 199 O PRO A 13 -23.995 -24.790 -7.827 1.00 0.00 O ATOM 200 CB PRO A 13 -25.692 -27.431 -7.273 1.00 0.00 C ATOM 201 CG PRO A 13 -26.206 -28.751 -7.735 1.00 0.00 C ATOM 202 CD PRO A 13 -25.368 -29.128 -8.923 1.00 0.00 C ATOM 0 HA PRO A 13 -25.929 -25.998 -8.930 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.877 -27.552 -6.559 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -26.472 -26.857 -6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -26.124 -29.499 -6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -27.260 -28.687 -8.005 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -24.495 -29.712 -8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -25.930 -29.729 -9.638 1.00 0.00 H new ATOM 210 N ALA A 14 -22.793 -26.542 -8.563 1.00 0.00 N ATOM 211 CA ALA A 14 -21.517 -25.875 -8.360 1.00 0.00 C ATOM 212 C ALA A 14 -21.257 -24.883 -9.481 1.00 0.00 C ATOM 213 O ALA A 14 -20.800 -23.763 -9.246 1.00 0.00 O ATOM 214 CB ALA A 14 -20.391 -26.897 -8.280 1.00 0.00 C ATOM 0 H ALA A 14 -22.724 -27.489 -8.935 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.555 -25.330 -7.417 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.442 -26.382 -8.128 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.574 -27.575 -7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -20.350 -27.467 -9.208 1.00 0.00 H new ATOM 220 N ILE A 15 -21.576 -25.299 -10.703 1.00 0.00 N ATOM 221 CA ILE A 15 -21.403 -24.449 -11.867 1.00 0.00 C ATOM 222 C ILE A 15 -22.468 -23.363 -11.866 1.00 0.00 C ATOM 223 O ILE A 15 -22.248 -22.256 -12.358 1.00 0.00 O ATOM 224 CB ILE A 15 -21.496 -25.254 -13.178 1.00 0.00 C ATOM 225 CG1 ILE A 15 -20.530 -26.439 -13.143 1.00 0.00 C ATOM 226 CG2 ILE A 15 -21.202 -24.360 -14.375 1.00 0.00 C ATOM 227 CD1 ILE A 15 -20.909 -27.556 -14.090 1.00 0.00 C ATOM 0 H ILE A 15 -21.956 -26.223 -10.909 1.00 0.00 H new ATOM 0 HA ILE A 15 -20.409 -24.004 -11.813 1.00 0.00 H new ATOM 0 HB ILE A 15 -22.511 -25.638 -13.278 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.528 -26.088 -13.391 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -20.488 -26.833 -12.128 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -21.272 -24.945 -15.292 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -21.926 -23.546 -14.408 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.197 -23.948 -14.283 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -20.180 -28.362 -14.012 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -21.898 -27.934 -13.830 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -20.923 -27.177 -15.112 1.00 0.00 H new ATOM 239 N ARG A 16 -23.618 -23.686 -11.280 1.00 0.00 N ATOM 240 CA ARG A 16 -24.712 -22.743 -11.180 1.00 0.00 C ATOM 241 C ARG A 16 -24.381 -21.701 -10.118 1.00 0.00 C ATOM 242 O ARG A 16 -24.543 -20.502 -10.335 1.00 0.00 O ATOM 243 CB ARG A 16 -26.013 -23.482 -10.840 1.00 0.00 C ATOM 244 CG ARG A 16 -27.029 -22.642 -10.082 1.00 0.00 C ATOM 245 CD ARG A 16 -28.439 -23.191 -10.243 1.00 0.00 C ATOM 246 NE ARG A 16 -28.485 -24.642 -10.076 1.00 0.00 N ATOM 247 CZ ARG A 16 -28.469 -25.253 -8.894 1.00 0.00 C ATOM 248 NH1 ARG A 16 -28.409 -24.544 -7.772 1.00 0.00 N ATOM 249 NH2 ARG A 16 -28.513 -26.577 -8.832 1.00 0.00 N ATOM 0 H ARG A 16 -23.810 -24.599 -10.868 1.00 0.00 H new ATOM 0 HA ARG A 16 -24.853 -22.238 -12.135 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -26.469 -23.836 -11.765 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -25.772 -24.364 -10.246 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -26.766 -22.618 -9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -26.994 -21.614 -10.443 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -29.096 -22.721 -9.512 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -28.820 -22.928 -11.230 1.00 0.00 H new ATOM 0 HE ARG A 16 -28.532 -25.220 -10.915 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -28.375 -23.525 -7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -28.397 -25.018 -6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -28.559 -27.126 -9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -28.501 -27.046 -7.926 1.00 0.00 H new ATOM 263 N GLN A 17 -23.892 -22.176 -8.974 1.00 0.00 N ATOM 264 CA GLN A 17 -23.508 -21.297 -7.878 1.00 0.00 C ATOM 265 C GLN A 17 -22.292 -20.462 -8.264 1.00 0.00 C ATOM 266 O GLN A 17 -22.208 -19.286 -7.913 1.00 0.00 O ATOM 267 CB GLN A 17 -23.228 -22.116 -6.615 1.00 0.00 C ATOM 268 CG GLN A 17 -22.606 -21.315 -5.483 1.00 0.00 C ATOM 269 CD GLN A 17 -22.222 -22.181 -4.299 1.00 0.00 C ATOM 270 OE1 GLN A 17 -21.145 -22.779 -4.276 1.00 0.00 O ATOM 271 NE2 GLN A 17 -23.102 -22.254 -3.308 1.00 0.00 N ATOM 0 H GLN A 17 -23.753 -23.169 -8.784 1.00 0.00 H new ATOM 0 HA GLN A 17 -24.334 -20.616 -7.670 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -24.162 -22.555 -6.265 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -22.563 -22.942 -6.870 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -21.721 -20.798 -5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -23.309 -20.549 -5.156 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -23.982 -21.742 -3.369 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -22.898 -22.822 -2.486 1.00 0.00 H new ATOM 280 N HIS A 18 -21.363 -21.054 -9.002 1.00 0.00 N ATOM 281 CA HIS A 18 -20.178 -20.324 -9.438 1.00 0.00 C ATOM 282 C HIS A 18 -20.595 -19.113 -10.273 1.00 0.00 C ATOM 283 O HIS A 18 -20.355 -17.963 -9.885 1.00 0.00 O ATOM 284 CB HIS A 18 -19.234 -21.236 -10.227 1.00 0.00 C ATOM 285 CG HIS A 18 -18.108 -20.510 -10.899 1.00 0.00 C ATOM 286 ND1 HIS A 18 -17.063 -19.935 -10.206 1.00 0.00 N ATOM 287 CD2 HIS A 18 -17.867 -20.270 -12.209 1.00 0.00 C ATOM 288 CE1 HIS A 18 -16.229 -19.371 -11.062 1.00 0.00 C ATOM 289 NE2 HIS A 18 -16.694 -19.560 -12.282 1.00 0.00 N ATOM 0 H HIS A 18 -21.404 -22.026 -9.309 1.00 0.00 H new ATOM 0 HA HIS A 18 -19.637 -19.973 -8.559 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -18.819 -21.984 -9.552 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -19.809 -21.772 -10.982 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -16.952 -19.944 -9.192 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -18.482 -20.579 -13.041 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.321 -18.845 -10.806 1.00 0.00 H new ATOM 298 N VAL A 19 -21.243 -19.365 -11.403 1.00 0.00 N ATOM 299 CA VAL A 19 -21.707 -18.288 -12.260 1.00 0.00 C ATOM 300 C VAL A 19 -22.695 -17.399 -11.514 1.00 0.00 C ATOM 301 O VAL A 19 -22.588 -16.173 -11.555 1.00 0.00 O ATOM 302 CB VAL A 19 -22.378 -18.835 -13.533 1.00 0.00 C ATOM 303 CG1 VAL A 19 -22.690 -17.704 -14.497 1.00 0.00 C ATOM 304 CG2 VAL A 19 -21.497 -19.886 -14.194 1.00 0.00 C ATOM 0 H VAL A 19 -21.457 -20.302 -11.744 1.00 0.00 H new ATOM 0 HA VAL A 19 -20.834 -17.702 -12.548 1.00 0.00 H new ATOM 0 HB VAL A 19 -23.317 -19.311 -13.252 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -23.164 -18.109 -15.391 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -23.364 -16.994 -14.019 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -21.766 -17.197 -14.774 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -21.989 -20.260 -15.092 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -20.539 -19.441 -14.464 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -21.331 -20.710 -13.500 1.00 0.00 H new ATOM 314 N ALA A 20 -23.651 -18.019 -10.830 1.00 0.00 N ATOM 315 CA ALA A 20 -24.651 -17.272 -10.072 1.00 0.00 C ATOM 316 C ALA A 20 -24.008 -16.348 -9.039 1.00 0.00 C ATOM 317 O ALA A 20 -24.417 -15.196 -8.896 1.00 0.00 O ATOM 318 CB ALA A 20 -25.639 -18.211 -9.407 1.00 0.00 C ATOM 0 H ALA A 20 -23.755 -19.033 -10.784 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.192 -16.646 -10.781 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -26.373 -17.630 -8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -26.147 -18.803 -10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -25.108 -18.875 -8.726 1.00 0.00 H new ATOM 324 N ASP A 21 -23.007 -16.847 -8.316 1.00 0.00 N ATOM 325 CA ASP A 21 -22.337 -16.033 -7.304 1.00 0.00 C ATOM 326 C ASP A 21 -21.719 -14.791 -7.936 1.00 0.00 C ATOM 327 O ASP A 21 -21.659 -13.729 -7.317 1.00 0.00 O ATOM 328 CB ASP A 21 -21.268 -16.846 -6.559 1.00 0.00 C ATOM 329 CG ASP A 21 -19.976 -17.010 -7.342 1.00 0.00 C ATOM 330 OD1 ASP A 21 -19.382 -15.984 -7.737 1.00 0.00 O ATOM 331 OD2 ASP A 21 -19.551 -18.163 -7.547 1.00 0.00 O ATOM 0 H ASP A 21 -22.646 -17.796 -8.409 1.00 0.00 H new ATOM 0 HA ASP A 21 -23.087 -15.716 -6.579 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -21.048 -16.358 -5.609 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -21.670 -17.832 -6.326 1.00 0.00 H new ATOM 336 N ARG A 22 -21.262 -14.935 -9.175 1.00 0.00 N ATOM 337 CA ARG A 22 -20.648 -13.823 -9.895 1.00 0.00 C ATOM 338 C ARG A 22 -21.703 -12.823 -10.363 1.00 0.00 C ATOM 339 O ARG A 22 -21.419 -11.633 -10.498 1.00 0.00 O ATOM 340 CB ARG A 22 -19.852 -14.339 -11.092 1.00 0.00 C ATOM 341 CG ARG A 22 -18.722 -15.282 -10.712 1.00 0.00 C ATOM 342 CD ARG A 22 -17.572 -14.537 -10.056 1.00 0.00 C ATOM 343 NE ARG A 22 -16.917 -15.339 -9.025 1.00 0.00 N ATOM 344 CZ ARG A 22 -16.028 -14.854 -8.161 1.00 0.00 C ATOM 345 NH1 ARG A 22 -15.685 -13.573 -8.201 1.00 0.00 N ATOM 346 NH2 ARG A 22 -15.482 -15.653 -7.255 1.00 0.00 N ATOM 0 H ARG A 22 -21.304 -15.808 -9.701 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.971 -13.313 -9.210 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -20.530 -14.854 -11.773 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.438 -13.490 -11.635 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -19.098 -16.046 -10.031 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.362 -15.798 -11.602 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.842 -14.256 -10.815 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.944 -13.613 -9.614 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.155 -16.329 -8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.103 -12.955 -8.896 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.003 -13.207 -7.537 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.743 -16.638 -7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.801 -15.282 -6.593 1.00 0.00 H new ATOM 360 N LEU A 23 -22.921 -13.299 -10.599 1.00 0.00 N ATOM 361 CA LEU A 23 -23.999 -12.420 -11.038 1.00 0.00 C ATOM 362 C LEU A 23 -24.379 -11.453 -9.924 1.00 0.00 C ATOM 363 O LEU A 23 -24.412 -10.239 -10.119 1.00 0.00 O ATOM 364 CB LEU A 23 -25.228 -13.228 -11.463 1.00 0.00 C ATOM 365 CG LEU A 23 -24.933 -14.577 -12.122 1.00 0.00 C ATOM 366 CD1 LEU A 23 -26.208 -15.183 -12.689 1.00 0.00 C ATOM 367 CD2 LEU A 23 -23.884 -14.423 -13.214 1.00 0.00 C ATOM 0 H LEU A 23 -23.185 -14.279 -10.495 1.00 0.00 H new ATOM 0 HA LEU A 23 -23.642 -11.855 -11.899 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -25.849 -13.401 -10.584 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -25.816 -12.626 -12.156 1.00 0.00 H new ATOM 0 HG LEU A 23 -24.539 -15.251 -11.361 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -25.980 -16.142 -13.154 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -26.929 -15.332 -11.885 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -26.630 -14.510 -13.435 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -23.688 -15.393 -13.670 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -24.249 -13.732 -13.974 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -22.963 -14.033 -12.781 1.00 0.00 H new ATOM 379 N ALA A 24 -24.660 -12.010 -8.753 1.00 0.00 N ATOM 380 CA ALA A 24 -25.034 -11.214 -7.590 1.00 0.00 C ATOM 381 C ALA A 24 -23.921 -10.243 -7.204 1.00 0.00 C ATOM 382 O ALA A 24 -24.171 -9.203 -6.596 1.00 0.00 O ATOM 383 CB ALA A 24 -25.370 -12.123 -6.418 1.00 0.00 C ATOM 0 H ALA A 24 -24.636 -13.015 -8.583 1.00 0.00 H new ATOM 0 HA ALA A 24 -25.916 -10.629 -7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -25.648 -11.517 -5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -26.203 -12.773 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -24.501 -12.732 -6.169 1.00 0.00 H new ATOM 389 N LYS A 25 -22.690 -10.594 -7.565 1.00 0.00 N ATOM 390 CA LYS A 25 -21.532 -9.762 -7.263 1.00 0.00 C ATOM 391 C LYS A 25 -21.427 -8.599 -8.242 1.00 0.00 C ATOM 392 O LYS A 25 -20.892 -7.541 -7.908 1.00 0.00 O ATOM 393 CB LYS A 25 -20.256 -10.598 -7.319 1.00 0.00 C ATOM 394 CG LYS A 25 -19.014 -9.847 -6.863 1.00 0.00 C ATOM 395 CD LYS A 25 -18.052 -9.596 -8.015 1.00 0.00 C ATOM 396 CE LYS A 25 -16.767 -10.394 -7.853 1.00 0.00 C ATOM 397 NZ LYS A 25 -15.889 -9.823 -6.796 1.00 0.00 N ATOM 0 H LYS A 25 -22.469 -11.453 -8.069 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.657 -9.359 -6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.384 -11.483 -6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.105 -10.947 -8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.307 -8.895 -6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.508 -10.419 -6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.532 -9.865 -8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -17.817 -8.533 -8.069 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -17.010 -11.427 -7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.229 -10.413 -8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.024 -10.395 -6.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.636 -8.846 -7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.392 -9.829 -5.886 1.00 0.00 H new ATOM 411 N LEU A 26 -21.934 -8.803 -9.452 1.00 0.00 N ATOM 412 CA LEU A 26 -21.893 -7.771 -10.481 1.00 0.00 C ATOM 413 C LEU A 26 -22.952 -6.702 -10.226 1.00 0.00 C ATOM 414 O LEU A 26 -23.831 -6.469 -11.057 1.00 0.00 O ATOM 415 CB LEU A 26 -22.100 -8.395 -11.863 1.00 0.00 C ATOM 416 CG LEU A 26 -21.006 -9.368 -12.307 1.00 0.00 C ATOM 417 CD1 LEU A 26 -21.597 -10.496 -13.139 1.00 0.00 C ATOM 418 CD2 LEU A 26 -19.929 -8.633 -13.091 1.00 0.00 C ATOM 0 H LEU A 26 -22.378 -9.673 -9.745 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.912 -7.296 -10.447 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -23.055 -8.920 -11.868 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -22.173 -7.594 -12.599 1.00 0.00 H new ATOM 0 HG LEU A 26 -20.550 -9.803 -11.418 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -20.803 -11.177 -13.445 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -22.332 -11.039 -12.545 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -22.080 -10.081 -14.024 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.158 -9.339 -13.400 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.372 -8.171 -13.973 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -19.484 -7.862 -12.463 1.00 0.00 H new ATOM 592 N PRO A 36 -30.660 -13.721 -19.339 1.00 0.00 N ATOM 593 CA PRO A 36 -29.410 -14.088 -20.007 1.00 0.00 C ATOM 594 C PRO A 36 -29.301 -15.594 -20.226 1.00 0.00 C ATOM 595 O PRO A 36 -29.915 -16.381 -19.506 1.00 0.00 O ATOM 596 CB PRO A 36 -28.341 -13.606 -19.030 1.00 0.00 C ATOM 597 CG PRO A 36 -28.988 -13.710 -17.692 1.00 0.00 C ATOM 598 CD PRO A 36 -30.452 -13.424 -17.907 1.00 0.00 C ATOM 0 HA PRO A 36 -29.324 -13.649 -21.001 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.444 -14.223 -19.087 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.038 -12.582 -19.246 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -28.844 -14.703 -17.267 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.551 -12.997 -16.992 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.080 -14.050 -17.273 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -30.696 -12.388 -17.673 1.00 0.00 H new ATOM 606 N HIS A 37 -28.520 -15.987 -21.227 1.00 0.00 N ATOM 607 CA HIS A 37 -28.339 -17.399 -21.543 1.00 0.00 C ATOM 608 C HIS A 37 -26.875 -17.717 -21.834 1.00 0.00 C ATOM 609 O HIS A 37 -26.227 -17.040 -22.632 1.00 0.00 O ATOM 610 CB HIS A 37 -29.205 -17.787 -22.743 1.00 0.00 C ATOM 611 CG HIS A 37 -29.935 -19.082 -22.561 1.00 0.00 C ATOM 612 ND1 HIS A 37 -31.302 -19.158 -22.392 1.00 0.00 N ATOM 613 CD2 HIS A 37 -29.481 -20.357 -22.522 1.00 0.00 C ATOM 614 CE1 HIS A 37 -31.657 -20.423 -22.256 1.00 0.00 C ATOM 615 NE2 HIS A 37 -30.571 -21.170 -22.332 1.00 0.00 N ATOM 0 H HIS A 37 -28.003 -15.349 -21.832 1.00 0.00 H new ATOM 0 HA HIS A 37 -28.648 -17.980 -20.674 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -29.929 -16.994 -22.929 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -28.574 -17.857 -23.629 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -28.454 -20.675 -22.622 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -32.664 -20.785 -22.108 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -30.546 -22.187 -22.261 1.00 0.00 H new ATOM 624 N ILE A 38 -26.367 -18.755 -21.180 1.00 0.00 N ATOM 625 CA ILE A 38 -24.983 -19.177 -21.362 1.00 0.00 C ATOM 626 C ILE A 38 -24.915 -20.622 -21.844 1.00 0.00 C ATOM 627 O ILE A 38 -25.607 -21.496 -21.321 1.00 0.00 O ATOM 628 CB ILE A 38 -24.177 -19.041 -20.055 1.00 0.00 C ATOM 629 CG1 ILE A 38 -24.314 -17.625 -19.491 1.00 0.00 C ATOM 630 CG2 ILE A 38 -22.712 -19.385 -20.291 1.00 0.00 C ATOM 631 CD1 ILE A 38 -25.636 -17.375 -18.799 1.00 0.00 C ATOM 0 H ILE A 38 -26.895 -19.322 -20.516 1.00 0.00 H new ATOM 0 HA ILE A 38 -24.545 -18.523 -22.116 1.00 0.00 H new ATOM 0 HB ILE A 38 -24.579 -19.744 -19.325 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -23.504 -17.444 -18.785 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -24.196 -16.907 -20.302 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -22.159 -19.283 -19.357 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -22.632 -20.411 -20.650 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -22.294 -18.707 -21.035 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -25.663 -16.352 -18.424 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -26.451 -17.524 -19.507 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -25.748 -18.069 -17.966 1.00 0.00 H new ATOM 643 N ILE A 39 -24.077 -20.864 -22.845 1.00 0.00 N ATOM 644 CA ILE A 39 -23.913 -22.200 -23.403 1.00 0.00 C ATOM 645 C ILE A 39 -22.489 -22.707 -23.198 1.00 0.00 C ATOM 646 O ILE A 39 -21.533 -21.931 -23.226 1.00 0.00 O ATOM 647 CB ILE A 39 -24.242 -22.222 -24.908 1.00 0.00 C ATOM 648 CG1 ILE A 39 -25.600 -21.566 -25.165 1.00 0.00 C ATOM 649 CG2 ILE A 39 -24.228 -23.650 -25.434 1.00 0.00 C ATOM 650 CD1 ILE A 39 -25.505 -20.099 -25.519 1.00 0.00 C ATOM 0 H ILE A 39 -23.499 -20.150 -23.288 1.00 0.00 H new ATOM 0 HA ILE A 39 -24.609 -22.853 -22.877 1.00 0.00 H new ATOM 0 HB ILE A 39 -23.479 -21.654 -25.440 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -26.102 -22.095 -25.975 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -26.222 -21.678 -24.277 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -24.462 -23.648 -26.499 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -23.240 -24.085 -25.281 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -24.971 -24.242 -24.900 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -26.505 -19.700 -25.688 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -25.031 -19.557 -24.700 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -24.910 -19.981 -26.425 1.00 0.00 H new ATOM 662 N LEU A 40 -22.355 -24.012 -22.992 1.00 0.00 N ATOM 663 CA LEU A 40 -21.049 -24.626 -22.782 1.00 0.00 C ATOM 664 C LEU A 40 -20.783 -25.713 -23.817 1.00 0.00 C ATOM 665 O LEU A 40 -21.597 -26.615 -24.014 1.00 0.00 O ATOM 666 CB LEU A 40 -20.961 -25.220 -21.375 1.00 0.00 C ATOM 667 CG LEU A 40 -21.365 -24.271 -20.245 1.00 0.00 C ATOM 668 CD1 LEU A 40 -22.152 -25.014 -19.177 1.00 0.00 C ATOM 669 CD2 LEU A 40 -20.134 -23.612 -19.640 1.00 0.00 C ATOM 0 H LEU A 40 -23.137 -24.667 -22.966 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.292 -23.850 -22.892 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.596 -26.105 -21.330 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.938 -25.553 -21.201 1.00 0.00 H new ATOM 0 HG LEU A 40 -22.005 -23.493 -20.661 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -22.430 -24.322 -18.382 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -23.053 -25.440 -19.619 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -21.538 -25.814 -18.763 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -20.438 -22.940 -18.838 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -19.471 -24.379 -19.239 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -19.610 -23.045 -20.409 1.00 0.00 H new ATOM 681 N SER A 41 -19.629 -25.621 -24.471 1.00 0.00 N ATOM 682 CA SER A 41 -19.236 -26.593 -25.482 1.00 0.00 C ATOM 683 C SER A 41 -17.885 -27.204 -25.131 1.00 0.00 C ATOM 684 O SER A 41 -17.342 -26.954 -24.054 1.00 0.00 O ATOM 685 CB SER A 41 -19.173 -25.933 -26.861 1.00 0.00 C ATOM 686 OG SER A 41 -20.312 -25.123 -27.093 1.00 0.00 O ATOM 0 H SER A 41 -18.947 -24.878 -24.316 1.00 0.00 H new ATOM 0 HA SER A 41 -19.984 -27.386 -25.508 1.00 0.00 H new ATOM 0 HB2 SER A 41 -18.271 -25.326 -26.936 1.00 0.00 H new ATOM 0 HB3 SER A 41 -19.106 -26.701 -27.632 1.00 0.00 H new ATOM 0 HG SER A 41 -20.246 -24.712 -27.980 1.00 0.00 H new ATOM 692 N LYS A 42 -17.347 -28.010 -26.039 1.00 0.00 N ATOM 693 CA LYS A 42 -16.061 -28.657 -25.810 1.00 0.00 C ATOM 694 C LYS A 42 -15.411 -29.081 -27.119 1.00 0.00 C ATOM 695 O LYS A 42 -16.076 -29.556 -28.041 1.00 0.00 O ATOM 696 CB LYS A 42 -16.238 -29.874 -24.899 1.00 0.00 C ATOM 697 CG LYS A 42 -14.937 -30.593 -24.579 1.00 0.00 C ATOM 698 CD LYS A 42 -15.143 -32.096 -24.464 1.00 0.00 C ATOM 699 CE LYS A 42 -14.481 -32.659 -23.216 1.00 0.00 C ATOM 700 NZ LYS A 42 -15.476 -32.978 -22.155 1.00 0.00 N ATOM 0 H LYS A 42 -17.779 -28.230 -26.936 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.406 -27.933 -25.325 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.705 -29.554 -23.967 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.923 -30.576 -25.374 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.204 -30.384 -25.358 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.528 -30.208 -23.645 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.210 -32.317 -24.441 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.734 -32.588 -25.347 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.925 -33.560 -23.475 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.759 -31.939 -22.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.989 -33.080 -21.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.174 -32.209 -22.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.961 -33.867 -22.390 1.00 0.00 H new ATOM 714 N GLU A 43 -14.100 -28.916 -27.173 1.00 0.00 N ATOM 715 CA GLU A 43 -13.311 -29.280 -28.335 1.00 0.00 C ATOM 716 C GLU A 43 -12.102 -30.093 -27.884 1.00 0.00 C ATOM 717 O GLU A 43 -11.677 -29.986 -26.734 1.00 0.00 O ATOM 718 CB GLU A 43 -12.847 -28.025 -29.077 1.00 0.00 C ATOM 719 CG GLU A 43 -13.990 -27.166 -29.592 1.00 0.00 C ATOM 720 CD GLU A 43 -13.576 -26.278 -30.749 1.00 0.00 C ATOM 721 OE1 GLU A 43 -13.277 -26.817 -31.834 1.00 0.00 O ATOM 722 OE2 GLU A 43 -13.552 -25.041 -30.569 1.00 0.00 O ATOM 0 H GLU A 43 -13.552 -28.524 -26.408 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.923 -29.876 -29.012 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.226 -27.427 -28.410 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.219 -28.321 -29.917 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.810 -27.811 -29.909 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.368 -26.545 -28.780 1.00 0.00 H new ATOM 729 N PRO A 44 -11.526 -30.915 -28.767 1.00 0.00 N ATOM 730 CA PRO A 44 -10.361 -31.732 -28.418 1.00 0.00 C ATOM 731 C PRO A 44 -9.241 -30.909 -27.796 1.00 0.00 C ATOM 732 O PRO A 44 -8.396 -31.430 -27.067 1.00 0.00 O ATOM 733 CB PRO A 44 -9.918 -32.307 -29.761 1.00 0.00 C ATOM 734 CG PRO A 44 -11.155 -32.321 -30.592 1.00 0.00 C ATOM 735 CD PRO A 44 -11.952 -31.120 -30.164 1.00 0.00 C ATOM 0 HA PRO A 44 -10.603 -32.490 -27.673 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.141 -31.694 -30.218 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.506 -33.310 -29.646 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.913 -32.271 -31.654 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.720 -33.240 -30.437 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.734 -30.250 -30.784 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.024 -31.302 -30.236 1.00 0.00 H new ATOM 743 N GLN A 45 -9.238 -29.625 -28.109 1.00 0.00 N ATOM 744 CA GLN A 45 -8.224 -28.709 -27.611 1.00 0.00 C ATOM 745 C GLN A 45 -8.611 -28.063 -26.276 1.00 0.00 C ATOM 746 O GLN A 45 -7.800 -27.363 -25.670 1.00 0.00 O ATOM 747 CB GLN A 45 -7.944 -27.621 -28.648 1.00 0.00 C ATOM 748 CG GLN A 45 -6.486 -27.195 -28.702 1.00 0.00 C ATOM 749 CD GLN A 45 -5.930 -27.192 -30.113 1.00 0.00 C ATOM 750 OE1 GLN A 45 -5.832 -26.146 -30.753 1.00 0.00 O ATOM 751 NE2 GLN A 45 -5.562 -28.370 -30.605 1.00 0.00 N ATOM 0 H GLN A 45 -9.935 -29.188 -28.713 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.325 -29.299 -27.435 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.246 -27.981 -29.631 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.561 -26.750 -28.425 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.387 -26.197 -28.275 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.892 -27.867 -28.083 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.661 -29.213 -30.039 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.181 -28.432 -31.549 1.00 0.00 H new ATOM 760 N GLY A 46 -9.839 -28.292 -25.817 1.00 0.00 N ATOM 761 CA GLY A 46 -10.268 -27.709 -24.555 1.00 0.00 C ATOM 762 C GLY A 46 -11.755 -27.431 -24.531 1.00 0.00 C ATOM 763 O GLY A 46 -12.493 -27.947 -25.360 1.00 0.00 O ATOM 0 H GLY A 46 -10.539 -28.864 -26.290 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.013 -28.385 -23.739 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.724 -26.781 -24.382 1.00 0.00 H new ATOM 767 N PHE A 47 -12.204 -26.617 -23.582 1.00 0.00 N ATOM 768 CA PHE A 47 -13.623 -26.288 -23.476 1.00 0.00 C ATOM 769 C PHE A 47 -13.909 -24.857 -23.899 1.00 0.00 C ATOM 770 O PHE A 47 -13.052 -23.977 -23.815 1.00 0.00 O ATOM 771 CB PHE A 47 -14.115 -26.524 -22.056 1.00 0.00 C ATOM 772 CG PHE A 47 -13.725 -27.869 -21.548 1.00 0.00 C ATOM 773 CD1 PHE A 47 -12.436 -28.099 -21.116 1.00 0.00 C ATOM 774 CD2 PHE A 47 -14.638 -28.906 -21.526 1.00 0.00 C ATOM 775 CE1 PHE A 47 -12.056 -29.342 -20.665 1.00 0.00 C ATOM 776 CE2 PHE A 47 -14.267 -30.157 -21.078 1.00 0.00 C ATOM 777 CZ PHE A 47 -12.972 -30.377 -20.645 1.00 0.00 C ATOM 0 H PHE A 47 -11.612 -26.175 -22.879 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.162 -26.946 -24.158 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.708 -25.756 -21.399 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.200 -26.426 -22.027 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.716 -27.294 -21.132 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.650 -28.736 -21.862 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.044 -29.509 -20.327 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.986 -30.963 -21.065 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.677 -31.354 -20.292 1.00 0.00 H new ATOM 787 N VAL A 48 -15.132 -24.651 -24.371 1.00 0.00 N ATOM 788 CA VAL A 48 -15.572 -23.346 -24.837 1.00 0.00 C ATOM 789 C VAL A 48 -16.878 -22.936 -24.160 1.00 0.00 C ATOM 790 O VAL A 48 -17.759 -23.766 -23.937 1.00 0.00 O ATOM 791 CB VAL A 48 -15.761 -23.357 -26.369 1.00 0.00 C ATOM 792 CG1 VAL A 48 -16.472 -22.098 -26.850 1.00 0.00 C ATOM 793 CG2 VAL A 48 -14.418 -23.516 -27.067 1.00 0.00 C ATOM 0 H VAL A 48 -15.842 -25.380 -24.441 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.802 -22.620 -24.576 1.00 0.00 H new ATOM 0 HB VAL A 48 -16.391 -24.209 -26.624 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.589 -22.138 -27.933 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.454 -22.033 -26.381 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.882 -21.222 -26.581 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.568 -23.522 -28.147 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.766 -22.686 -26.796 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -13.957 -24.455 -26.759 1.00 0.00 H new ATOM 803 N ALA A 49 -16.998 -21.652 -23.842 1.00 0.00 N ATOM 804 CA ALA A 49 -18.199 -21.136 -23.199 1.00 0.00 C ATOM 805 C ALA A 49 -18.687 -19.867 -23.891 1.00 0.00 C ATOM 806 O ALA A 49 -17.939 -18.901 -24.031 1.00 0.00 O ATOM 807 CB ALA A 49 -17.935 -20.866 -21.724 1.00 0.00 C ATOM 0 H ALA A 49 -16.279 -20.951 -24.019 1.00 0.00 H new ATOM 0 HA ALA A 49 -18.981 -21.891 -23.284 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.841 -20.481 -21.257 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -17.639 -21.792 -21.232 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.136 -20.131 -21.626 1.00 0.00 H new ATOM 813 N ASP A 50 -19.946 -19.875 -24.317 1.00 0.00 N ATOM 814 CA ASP A 50 -20.532 -18.719 -24.989 1.00 0.00 C ATOM 815 C ASP A 50 -21.700 -18.169 -24.180 1.00 0.00 C ATOM 816 O ASP A 50 -22.382 -18.916 -23.480 1.00 0.00 O ATOM 817 CB ASP A 50 -21.006 -19.104 -26.392 1.00 0.00 C ATOM 818 CG ASP A 50 -19.855 -19.258 -27.368 1.00 0.00 C ATOM 819 OD1 ASP A 50 -19.055 -20.202 -27.199 1.00 0.00 O ATOM 820 OD2 ASP A 50 -19.755 -18.436 -28.302 1.00 0.00 O ATOM 0 H ASP A 50 -20.580 -20.667 -24.209 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.768 -17.946 -25.073 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -21.563 -20.039 -26.341 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -21.694 -18.343 -26.762 1.00 0.00 H new ATOM 825 N ALA A 51 -21.928 -16.865 -24.269 1.00 0.00 N ATOM 826 CA ALA A 51 -23.018 -16.242 -23.529 1.00 0.00 C ATOM 827 C ALA A 51 -23.637 -15.082 -24.302 1.00 0.00 C ATOM 828 O ALA A 51 -22.935 -14.318 -24.966 1.00 0.00 O ATOM 829 CB ALA A 51 -22.526 -15.767 -22.170 1.00 0.00 C ATOM 0 H ALA A 51 -21.379 -16.223 -24.841 1.00 0.00 H new ATOM 0 HA ALA A 51 -23.794 -16.994 -23.388 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -23.349 -15.303 -21.627 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -22.150 -16.618 -21.602 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.726 -15.039 -22.307 1.00 0.00 H new ATOM 835 N THR A 52 -24.955 -14.956 -24.203 1.00 0.00 N ATOM 836 CA THR A 52 -25.675 -13.887 -24.884 1.00 0.00 C ATOM 837 C THR A 52 -26.678 -13.239 -23.937 1.00 0.00 C ATOM 838 O THR A 52 -27.410 -13.933 -23.231 1.00 0.00 O ATOM 839 CB THR A 52 -26.396 -14.434 -26.117 1.00 0.00 C ATOM 840 OG1 THR A 52 -25.566 -15.339 -26.824 1.00 0.00 O ATOM 841 CG2 THR A 52 -26.826 -13.354 -27.086 1.00 0.00 C ATOM 0 H THR A 52 -25.547 -15.582 -23.657 1.00 0.00 H new ATOM 0 HA THR A 52 -24.955 -13.133 -25.204 1.00 0.00 H new ATOM 0 HB THR A 52 -27.286 -14.932 -25.733 1.00 0.00 H new ATOM 0 HG1 THR A 52 -26.046 -15.679 -27.608 1.00 0.00 H new ATOM 0 HG21 THR A 52 -27.331 -13.809 -27.938 1.00 0.00 H new ATOM 0 HG22 THR A 52 -27.507 -12.666 -26.585 1.00 0.00 H new ATOM 0 HG23 THR A 52 -25.950 -12.807 -27.434 1.00 0.00 H new ATOM 849 N ILE A 53 -26.710 -11.911 -23.918 1.00 0.00 N ATOM 850 CA ILE A 53 -27.626 -11.186 -23.045 1.00 0.00 C ATOM 851 C ILE A 53 -28.356 -10.085 -23.806 1.00 0.00 C ATOM 852 O ILE A 53 -27.743 -9.305 -24.535 1.00 0.00 O ATOM 853 CB ILE A 53 -26.891 -10.556 -21.844 1.00 0.00 C ATOM 854 CG1 ILE A 53 -25.714 -11.434 -21.410 1.00 0.00 C ATOM 855 CG2 ILE A 53 -27.856 -10.343 -20.687 1.00 0.00 C ATOM 856 CD1 ILE A 53 -26.132 -12.789 -20.881 1.00 0.00 C ATOM 0 H ILE A 53 -26.115 -11.317 -24.495 1.00 0.00 H new ATOM 0 HA ILE A 53 -28.347 -11.916 -22.677 1.00 0.00 H new ATOM 0 HB ILE A 53 -26.497 -9.587 -22.149 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -25.045 -11.575 -22.259 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -25.147 -10.912 -20.640 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -27.324 -9.898 -19.846 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -28.660 -9.677 -21.001 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -28.277 -11.301 -20.383 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -25.247 -13.356 -20.593 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -26.777 -12.657 -20.012 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -26.674 -13.331 -21.656 1.00 0.00 H new ATOM 868 N ASN A 54 -29.669 -10.017 -23.613 1.00 0.00 N ATOM 869 CA ASN A 54 -30.495 -9.002 -24.258 1.00 0.00 C ATOM 870 C ASN A 54 -30.853 -7.901 -23.269 1.00 0.00 C ATOM 871 O ASN A 54 -31.303 -8.177 -22.157 1.00 0.00 O ATOM 872 CB ASN A 54 -31.771 -9.630 -24.820 1.00 0.00 C ATOM 873 CG ASN A 54 -31.503 -10.917 -25.577 1.00 0.00 C ATOM 874 OD1 ASN A 54 -30.439 -11.091 -26.170 1.00 0.00 O ATOM 875 ND2 ASN A 54 -32.470 -11.827 -25.558 1.00 0.00 N ATOM 0 H ASN A 54 -30.187 -10.657 -23.011 1.00 0.00 H new ATOM 0 HA ASN A 54 -29.924 -8.568 -25.079 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -32.463 -9.831 -24.002 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -32.260 -8.917 -25.484 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -32.346 -12.713 -26.048 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -33.336 -11.640 -25.053 1.00 0.00 H new ATOM 882 N THR A 55 -30.653 -6.652 -23.677 1.00 0.00 N ATOM 883 CA THR A 55 -30.961 -5.515 -22.817 1.00 0.00 C ATOM 884 C THR A 55 -31.840 -4.505 -23.550 1.00 0.00 C ATOM 885 O THR A 55 -31.981 -4.566 -24.771 1.00 0.00 O ATOM 886 CB THR A 55 -29.672 -4.840 -22.343 1.00 0.00 C ATOM 887 OG1 THR A 55 -29.136 -4.010 -23.359 1.00 0.00 O ATOM 888 CG2 THR A 55 -28.592 -5.822 -21.936 1.00 0.00 C ATOM 0 H THR A 55 -30.281 -6.402 -24.593 1.00 0.00 H new ATOM 0 HA THR A 55 -31.507 -5.884 -21.949 1.00 0.00 H new ATOM 0 HB THR A 55 -29.959 -4.258 -21.467 1.00 0.00 H new ATOM 0 HG1 THR A 55 -29.079 -4.514 -24.197 1.00 0.00 H new ATOM 0 HG21 THR A 55 -27.707 -5.275 -21.611 1.00 0.00 H new ATOM 0 HG22 THR A 55 -28.955 -6.444 -21.118 1.00 0.00 H new ATOM 0 HG23 THR A 55 -28.336 -6.454 -22.786 1.00 0.00 H new ATOM 896 N PRO A 56 -32.446 -3.560 -22.814 1.00 0.00 N ATOM 897 CA PRO A 56 -33.316 -2.537 -23.400 1.00 0.00 C ATOM 898 C PRO A 56 -32.542 -1.519 -24.238 1.00 0.00 C ATOM 899 O PRO A 56 -33.139 -0.690 -24.924 1.00 0.00 O ATOM 900 CB PRO A 56 -33.953 -1.847 -22.183 1.00 0.00 C ATOM 901 CG PRO A 56 -33.619 -2.707 -21.008 1.00 0.00 C ATOM 902 CD PRO A 56 -32.341 -3.412 -21.358 1.00 0.00 C ATOM 0 HA PRO A 56 -34.043 -2.978 -24.082 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -33.559 -0.839 -22.054 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -35.032 -1.755 -22.306 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -33.498 -2.106 -20.107 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -34.417 -3.422 -20.809 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -31.465 -2.830 -21.072 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -32.260 -4.377 -20.857 1.00 0.00 H new ATOM 910 N ASN A 57 -31.214 -1.578 -24.174 1.00 0.00 N ATOM 911 CA ASN A 57 -30.375 -0.650 -24.926 1.00 0.00 C ATOM 912 C ASN A 57 -29.406 -1.386 -25.849 1.00 0.00 C ATOM 913 O ASN A 57 -28.373 -0.840 -26.235 1.00 0.00 O ATOM 914 CB ASN A 57 -29.593 0.248 -23.967 1.00 0.00 C ATOM 915 CG ASN A 57 -30.489 1.220 -23.225 1.00 0.00 C ATOM 916 OD1 ASN A 57 -31.330 0.694 -22.342 1.00 0.00 O flip ATOM 917 ND2 ASN A 57 -30.425 2.430 -23.442 1.00 0.00 N flip ATOM 0 H ASN A 57 -30.698 -2.255 -23.612 1.00 0.00 H new ATOM 0 HA ASN A 57 -31.032 -0.040 -25.545 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -29.059 -0.372 -23.247 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -28.842 0.805 -24.527 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -29.764 2.791 -24.130 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -31.033 3.072 -22.934 1.00 0.00 H new ATOM 924 N GLY A 58 -29.743 -2.623 -26.205 1.00 0.00 N ATOM 925 CA GLY A 58 -28.883 -3.396 -27.086 1.00 0.00 C ATOM 926 C GLY A 58 -28.641 -4.806 -26.587 1.00 0.00 C ATOM 927 O GLY A 58 -29.319 -5.276 -25.675 1.00 0.00 O ATOM 0 H GLY A 58 -30.591 -3.102 -25.902 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -29.333 -3.439 -28.078 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -27.926 -2.884 -27.192 1.00 0.00 H new ATOM 931 N VAL A 59 -27.668 -5.482 -27.193 1.00 0.00 N ATOM 932 CA VAL A 59 -27.333 -6.849 -26.813 1.00 0.00 C ATOM 933 C VAL A 59 -25.820 -7.038 -26.733 1.00 0.00 C ATOM 934 O VAL A 59 -25.071 -6.470 -27.527 1.00 0.00 O ATOM 935 CB VAL A 59 -27.915 -7.868 -27.812 1.00 0.00 C ATOM 936 CG1 VAL A 59 -27.784 -9.282 -27.271 1.00 0.00 C ATOM 937 CG2 VAL A 59 -29.367 -7.541 -28.123 1.00 0.00 C ATOM 0 H VAL A 59 -27.098 -5.104 -27.950 1.00 0.00 H new ATOM 0 HA VAL A 59 -27.773 -7.024 -25.831 1.00 0.00 H new ATOM 0 HB VAL A 59 -27.346 -7.805 -28.739 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -28.201 -9.987 -27.991 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -26.732 -9.512 -27.105 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -28.326 -9.363 -26.329 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -29.761 -8.271 -28.830 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -29.952 -7.573 -27.204 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -29.430 -6.544 -28.558 1.00 0.00 H new ATOM 947 N LEU A 60 -25.377 -7.841 -25.769 1.00 0.00 N ATOM 948 CA LEU A 60 -23.954 -8.105 -25.586 1.00 0.00 C ATOM 949 C LEU A 60 -23.634 -9.575 -25.840 1.00 0.00 C ATOM 950 O LEU A 60 -24.502 -10.440 -25.716 1.00 0.00 O ATOM 951 CB LEU A 60 -23.518 -7.714 -24.172 1.00 0.00 C ATOM 952 CG LEU A 60 -23.919 -6.303 -23.739 1.00 0.00 C ATOM 953 CD1 LEU A 60 -24.342 -6.293 -22.277 1.00 0.00 C ATOM 954 CD2 LEU A 60 -22.774 -5.329 -23.971 1.00 0.00 C ATOM 0 H LEU A 60 -25.983 -8.320 -25.103 1.00 0.00 H new ATOM 0 HA LEU A 60 -23.404 -7.502 -26.309 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -23.942 -8.429 -23.467 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -22.434 -7.804 -24.104 1.00 0.00 H new ATOM 0 HG LEU A 60 -24.768 -5.985 -24.344 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -24.624 -5.281 -21.987 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -25.193 -6.960 -22.140 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -23.512 -6.631 -21.656 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -23.077 -4.330 -23.657 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -21.906 -5.644 -23.392 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -22.518 -5.315 -25.030 1.00 0.00 H new ATOM 966 N VAL A 61 -22.383 -9.851 -26.196 1.00 0.00 N ATOM 967 CA VAL A 61 -21.948 -11.215 -26.466 1.00 0.00 C ATOM 968 C VAL A 61 -20.550 -11.471 -25.912 1.00 0.00 C ATOM 969 O VAL A 61 -19.717 -10.568 -25.860 1.00 0.00 O ATOM 970 CB VAL A 61 -21.949 -11.516 -27.977 1.00 0.00 C ATOM 971 CG1 VAL A 61 -21.691 -12.994 -28.228 1.00 0.00 C ATOM 972 CG2 VAL A 61 -23.264 -11.082 -28.607 1.00 0.00 C ATOM 0 H VAL A 61 -21.653 -9.147 -26.304 1.00 0.00 H new ATOM 0 HA VAL A 61 -22.659 -11.875 -25.968 1.00 0.00 H new ATOM 0 HB VAL A 61 -21.144 -10.947 -28.443 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.695 -13.187 -29.301 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.721 -13.270 -27.814 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -22.471 -13.586 -27.750 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -23.246 -11.302 -29.674 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -24.087 -11.621 -28.139 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -23.402 -10.011 -28.460 1.00 0.00 H new ATOM 982 N ALA A 62 -20.302 -12.709 -25.496 1.00 0.00 N ATOM 983 CA ALA A 62 -19.007 -13.088 -24.943 1.00 0.00 C ATOM 984 C ALA A 62 -18.741 -14.576 -25.142 1.00 0.00 C ATOM 985 O ALA A 62 -19.663 -15.391 -25.125 1.00 0.00 O ATOM 986 CB ALA A 62 -18.935 -12.729 -23.467 1.00 0.00 C ATOM 0 H ALA A 62 -20.983 -13.468 -25.532 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.236 -12.532 -25.476 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.962 -13.018 -23.069 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.071 -11.654 -23.347 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -19.720 -13.257 -22.925 1.00 0.00 H new ATOM 992 N SER A 63 -17.473 -14.919 -25.343 1.00 0.00 N ATOM 993 CA SER A 63 -17.086 -16.309 -25.559 1.00 0.00 C ATOM 994 C SER A 63 -15.712 -16.612 -24.967 1.00 0.00 C ATOM 995 O SER A 63 -14.879 -15.720 -24.810 1.00 0.00 O ATOM 996 CB SER A 63 -17.086 -16.628 -27.055 1.00 0.00 C ATOM 997 OG SER A 63 -18.084 -15.888 -27.735 1.00 0.00 O ATOM 0 H SER A 63 -16.698 -14.256 -25.361 1.00 0.00 H new ATOM 0 HA SER A 63 -17.817 -16.937 -25.050 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.108 -16.400 -27.478 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.256 -17.695 -27.202 1.00 0.00 H new ATOM 0 HG SER A 63 -18.787 -16.496 -28.045 1.00 0.00 H new ATOM 1003 N GLY A 64 -15.484 -17.886 -24.659 1.00 0.00 N ATOM 1004 CA GLY A 64 -14.212 -18.315 -24.106 1.00 0.00 C ATOM 1005 C GLY A 64 -13.812 -19.677 -24.643 1.00 0.00 C ATOM 1006 O GLY A 64 -14.672 -20.458 -25.046 1.00 0.00 O ATOM 0 H GLY A 64 -16.165 -18.635 -24.784 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.441 -17.584 -24.350 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.280 -18.355 -23.019 1.00 0.00 H new ATOM 1010 N LYS A 65 -12.515 -19.966 -24.663 1.00 0.00 N ATOM 1011 CA LYS A 65 -12.038 -21.247 -25.176 1.00 0.00 C ATOM 1012 C LYS A 65 -10.783 -21.721 -24.452 1.00 0.00 C ATOM 1013 O LYS A 65 -9.848 -22.224 -25.074 1.00 0.00 O ATOM 1014 CB LYS A 65 -11.760 -21.144 -26.678 1.00 0.00 C ATOM 1015 CG LYS A 65 -12.968 -20.712 -27.494 1.00 0.00 C ATOM 1016 CD LYS A 65 -12.896 -21.242 -28.917 1.00 0.00 C ATOM 1017 CE LYS A 65 -14.140 -20.879 -29.712 1.00 0.00 C ATOM 1018 NZ LYS A 65 -13.806 -20.416 -31.087 1.00 0.00 N ATOM 0 H LYS A 65 -11.781 -19.338 -24.334 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.824 -21.981 -24.997 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.950 -20.434 -26.841 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.414 -22.111 -27.042 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.879 -21.072 -27.016 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.026 -19.624 -27.512 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.015 -20.836 -29.413 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.779 -22.326 -28.897 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.799 -21.746 -29.771 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.689 -20.096 -29.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.682 -20.178 -31.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.198 -19.574 -31.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.304 -21.172 -31.596 1.00 0.00 H new ATOM 1032 N HIS A 66 -10.774 -21.578 -23.133 1.00 0.00 N ATOM 1033 CA HIS A 66 -9.635 -22.018 -22.335 1.00 0.00 C ATOM 1034 C HIS A 66 -9.644 -23.537 -22.192 1.00 0.00 C ATOM 1035 O HIS A 66 -10.697 -24.171 -22.287 1.00 0.00 O ATOM 1036 CB HIS A 66 -9.645 -21.362 -20.953 1.00 0.00 C ATOM 1037 CG HIS A 66 -8.306 -21.370 -20.282 1.00 0.00 C ATOM 1038 ND1 HIS A 66 -8.017 -22.139 -19.174 1.00 0.00 N ATOM 1039 CD2 HIS A 66 -7.170 -20.692 -20.572 1.00 0.00 C ATOM 1040 CE1 HIS A 66 -6.762 -21.932 -18.812 1.00 0.00 C ATOM 1041 NE2 HIS A 66 -6.228 -21.060 -19.645 1.00 0.00 N ATOM 0 H HIS A 66 -11.536 -21.164 -22.596 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.725 -21.714 -22.851 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.988 -20.332 -21.050 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.364 -21.879 -20.318 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.031 -19.992 -21.382 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.260 -22.398 -17.977 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.269 -20.715 -19.606 1.00 0.00 H new ATOM 1050 N GLU A 67 -8.475 -24.119 -21.964 1.00 0.00 N ATOM 1051 CA GLU A 67 -8.360 -25.566 -21.808 1.00 0.00 C ATOM 1052 C GLU A 67 -9.179 -26.059 -20.617 1.00 0.00 C ATOM 1053 O GLU A 67 -9.595 -27.216 -20.576 1.00 0.00 O ATOM 1054 CB GLU A 67 -6.894 -25.965 -21.631 1.00 0.00 C ATOM 1055 CG GLU A 67 -5.961 -25.316 -22.642 1.00 0.00 C ATOM 1056 CD GLU A 67 -4.942 -26.288 -23.202 1.00 0.00 C ATOM 1057 OE1 GLU A 67 -5.356 -27.307 -23.794 1.00 0.00 O ATOM 1058 OE2 GLU A 67 -3.729 -26.031 -23.051 1.00 0.00 O ATOM 0 H GLU A 67 -7.593 -23.614 -21.883 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.753 -26.033 -22.711 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.571 -25.695 -20.625 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.808 -27.049 -21.713 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.550 -24.901 -23.460 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.441 -24.483 -22.169 1.00 0.00 H new ATOM 1065 N ASP A 68 -9.391 -25.179 -19.645 1.00 0.00 N ATOM 1066 CA ASP A 68 -10.147 -25.529 -18.445 1.00 0.00 C ATOM 1067 C ASP A 68 -11.597 -25.059 -18.542 1.00 0.00 C ATOM 1068 O ASP A 68 -11.869 -23.871 -18.713 1.00 0.00 O ATOM 1069 CB ASP A 68 -9.484 -24.922 -17.208 1.00 0.00 C ATOM 1070 CG ASP A 68 -10.179 -25.323 -15.922 1.00 0.00 C ATOM 1071 OD1 ASP A 68 -10.685 -26.463 -15.851 1.00 0.00 O ATOM 1072 OD2 ASP A 68 -10.217 -24.497 -14.986 1.00 0.00 O ATOM 0 H ASP A 68 -9.051 -24.218 -19.663 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.149 -26.615 -18.358 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.441 -25.237 -17.167 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.486 -23.835 -17.295 1.00 0.00 H new ATOM 1077 N MET A 69 -12.523 -26.008 -18.426 1.00 0.00 N ATOM 1078 CA MET A 69 -13.954 -25.714 -18.494 1.00 0.00 C ATOM 1079 C MET A 69 -14.335 -24.538 -17.596 1.00 0.00 C ATOM 1080 O MET A 69 -15.031 -23.617 -18.022 1.00 0.00 O ATOM 1081 CB MET A 69 -14.760 -26.950 -18.090 1.00 0.00 C ATOM 1082 CG MET A 69 -16.263 -26.763 -18.212 1.00 0.00 C ATOM 1083 SD MET A 69 -17.177 -27.609 -16.907 1.00 0.00 S ATOM 1084 CE MET A 69 -18.858 -27.149 -17.317 1.00 0.00 C ATOM 0 H MET A 69 -12.306 -26.994 -18.283 1.00 0.00 H new ATOM 0 HA MET A 69 -14.186 -25.440 -19.523 1.00 0.00 H new ATOM 0 HB2 MET A 69 -14.455 -27.791 -18.712 1.00 0.00 H new ATOM 0 HB3 MET A 69 -14.517 -27.211 -17.060 1.00 0.00 H new ATOM 0 HG2 MET A 69 -16.496 -25.699 -18.182 1.00 0.00 H new ATOM 0 HG3 MET A 69 -16.594 -27.135 -19.182 1.00 0.00 H new ATOM 0 HE1 MET A 69 -19.539 -27.941 -17.004 1.00 0.00 H new ATOM 0 HE2 MET A 69 -19.117 -26.223 -16.803 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.943 -27.003 -18.394 1.00 0.00 H new ATOM 1094 N TYR A 70 -13.886 -24.587 -16.345 1.00 0.00 N ATOM 1095 CA TYR A 70 -14.191 -23.536 -15.378 1.00 0.00 C ATOM 1096 C TYR A 70 -13.547 -22.211 -15.773 1.00 0.00 C ATOM 1097 O TYR A 70 -14.138 -21.146 -15.592 1.00 0.00 O ATOM 1098 CB TYR A 70 -13.720 -23.947 -13.982 1.00 0.00 C ATOM 1099 CG TYR A 70 -14.668 -24.890 -13.276 1.00 0.00 C ATOM 1100 CD1 TYR A 70 -14.630 -26.257 -13.523 1.00 0.00 C ATOM 1101 CD2 TYR A 70 -15.601 -24.413 -12.364 1.00 0.00 C ATOM 1102 CE1 TYR A 70 -15.495 -27.122 -12.881 1.00 0.00 C ATOM 1103 CE2 TYR A 70 -16.469 -25.272 -11.717 1.00 0.00 C ATOM 1104 CZ TYR A 70 -16.413 -26.625 -11.979 1.00 0.00 C ATOM 1105 OH TYR A 70 -17.275 -27.483 -11.337 1.00 0.00 O ATOM 0 H TYR A 70 -13.309 -25.343 -15.977 1.00 0.00 H new ATOM 0 HA TYR A 70 -15.272 -23.398 -15.368 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.742 -24.422 -14.063 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.591 -23.052 -13.373 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -13.913 -26.650 -14.228 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -15.649 -23.354 -12.157 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -15.453 -28.182 -13.084 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -17.188 -24.886 -11.010 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.856 -26.973 -10.734 1.00 0.00 H new ATOM 1115 N THR A 71 -12.336 -22.278 -16.314 1.00 0.00 N ATOM 1116 CA THR A 71 -11.626 -21.074 -16.730 1.00 0.00 C ATOM 1117 C THR A 71 -12.362 -20.385 -17.873 1.00 0.00 C ATOM 1118 O THR A 71 -12.468 -19.159 -17.906 1.00 0.00 O ATOM 1119 CB THR A 71 -10.198 -21.417 -17.155 1.00 0.00 C ATOM 1120 OG1 THR A 71 -9.486 -22.011 -16.084 1.00 0.00 O ATOM 1121 CG2 THR A 71 -9.405 -20.214 -17.620 1.00 0.00 C ATOM 0 H THR A 71 -11.828 -23.148 -16.474 1.00 0.00 H new ATOM 0 HA THR A 71 -11.585 -20.391 -15.882 1.00 0.00 H new ATOM 0 HB THR A 71 -10.304 -22.107 -17.992 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.979 -22.792 -15.756 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.401 -20.528 -17.907 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.902 -19.760 -18.477 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.340 -19.486 -16.811 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.879 -21.180 -18.806 1.00 0.00 N ATOM 1130 CA ALA A 72 -13.613 -20.639 -19.942 1.00 0.00 C ATOM 1131 C ALA A 72 -14.853 -19.890 -19.472 1.00 0.00 C ATOM 1132 O ALA A 72 -15.099 -18.759 -19.893 1.00 0.00 O ATOM 1133 CB ALA A 72 -13.991 -21.748 -20.914 1.00 0.00 C ATOM 0 H ALA A 72 -12.803 -22.197 -18.797 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.966 -19.934 -20.464 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.539 -21.323 -21.755 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.087 -22.236 -21.278 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.618 -22.480 -20.405 1.00 0.00 H new ATOM 1139 N ILE A 73 -15.628 -20.512 -18.589 1.00 0.00 N ATOM 1140 CA ILE A 73 -16.831 -19.878 -18.065 1.00 0.00 C ATOM 1141 C ILE A 73 -16.471 -18.586 -17.338 1.00 0.00 C ATOM 1142 O ILE A 73 -17.134 -17.562 -17.505 1.00 0.00 O ATOM 1143 CB ILE A 73 -17.599 -20.814 -17.108 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -18.094 -22.051 -17.860 1.00 0.00 C ATOM 1145 CG2 ILE A 73 -18.765 -20.083 -16.460 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -18.053 -23.317 -17.034 1.00 0.00 C ATOM 0 H ILE A 73 -15.446 -21.447 -18.224 1.00 0.00 H new ATOM 0 HA ILE A 73 -17.479 -19.654 -18.912 1.00 0.00 H new ATOM 0 HB ILE A 73 -16.918 -21.134 -16.320 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -19.117 -21.878 -18.194 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -17.486 -22.190 -18.754 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -19.292 -20.762 -15.789 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -18.390 -19.231 -15.893 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -19.449 -19.732 -17.233 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.418 -24.153 -17.631 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -17.028 -23.515 -16.722 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.684 -23.197 -16.153 1.00 0.00 H new ATOM 1158 N ASN A 74 -15.407 -18.636 -16.546 1.00 0.00 N ATOM 1159 CA ASN A 74 -14.949 -17.464 -15.812 1.00 0.00 C ATOM 1160 C ASN A 74 -14.471 -16.387 -16.783 1.00 0.00 C ATOM 1161 O ASN A 74 -14.722 -15.198 -16.583 1.00 0.00 O ATOM 1162 CB ASN A 74 -13.822 -17.845 -14.849 1.00 0.00 C ATOM 1163 CG ASN A 74 -14.239 -17.730 -13.396 1.00 0.00 C ATOM 1164 OD1 ASN A 74 -13.980 -18.624 -12.591 1.00 0.00 O ATOM 1165 ND2 ASN A 74 -14.890 -16.625 -13.053 1.00 0.00 N ATOM 0 H ASN A 74 -14.846 -19.475 -16.396 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.783 -17.069 -15.232 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.504 -18.867 -15.053 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.961 -17.201 -15.029 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.196 -16.492 -12.089 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.084 -15.909 -13.753 1.00 0.00 H new ATOM 1172 N GLU A 75 -13.786 -16.817 -17.839 1.00 0.00 N ATOM 1173 CA GLU A 75 -13.275 -15.897 -18.850 1.00 0.00 C ATOM 1174 C GLU A 75 -14.422 -15.242 -19.613 1.00 0.00 C ATOM 1175 O GLU A 75 -14.424 -14.030 -19.825 1.00 0.00 O ATOM 1176 CB GLU A 75 -12.348 -16.630 -19.822 1.00 0.00 C ATOM 1177 CG GLU A 75 -10.892 -16.639 -19.383 1.00 0.00 C ATOM 1178 CD GLU A 75 -10.136 -15.408 -19.845 1.00 0.00 C ATOM 1179 OE1 GLU A 75 -10.573 -14.779 -20.832 1.00 0.00 O ATOM 1180 OE2 GLU A 75 -9.108 -15.074 -19.221 1.00 0.00 O ATOM 0 H GLU A 75 -13.572 -17.798 -18.017 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.706 -15.118 -18.343 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.692 -17.658 -19.934 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.420 -16.161 -20.804 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.845 -16.703 -18.296 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.403 -17.530 -19.777 1.00 0.00 H new ATOM 1187 N LEU A 76 -15.401 -16.045 -20.019 1.00 0.00 N ATOM 1188 CA LEU A 76 -16.553 -15.527 -20.747 1.00 0.00 C ATOM 1189 C LEU A 76 -17.198 -14.381 -19.971 1.00 0.00 C ATOM 1190 O LEU A 76 -17.249 -13.251 -20.454 1.00 0.00 O ATOM 1191 CB LEU A 76 -17.567 -16.647 -21.015 1.00 0.00 C ATOM 1192 CG LEU A 76 -18.995 -16.183 -21.326 1.00 0.00 C ATOM 1193 CD1 LEU A 76 -19.471 -16.762 -22.646 1.00 0.00 C ATOM 1194 CD2 LEU A 76 -19.943 -16.573 -20.201 1.00 0.00 C ATOM 0 H LEU A 76 -15.419 -17.052 -19.857 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.215 -15.141 -21.708 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -17.208 -17.246 -21.852 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -17.598 -17.302 -20.144 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.989 -15.096 -21.410 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -20.486 -16.421 -22.848 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -18.811 -16.431 -23.448 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -19.458 -17.851 -22.591 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -20.951 -16.235 -20.441 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -19.942 -17.657 -20.084 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -19.616 -16.107 -19.271 1.00 0.00 H new ATOM 1206 N ILE A 77 -17.673 -14.667 -18.762 1.00 0.00 N ATOM 1207 CA ILE A 77 -18.289 -13.635 -17.936 1.00 0.00 C ATOM 1208 C ILE A 77 -17.328 -12.464 -17.752 1.00 0.00 C ATOM 1209 O ILE A 77 -17.758 -11.320 -17.602 1.00 0.00 O ATOM 1210 CB ILE A 77 -18.727 -14.175 -16.559 1.00 0.00 C ATOM 1211 CG1 ILE A 77 -19.643 -15.389 -16.730 1.00 0.00 C ATOM 1212 CG2 ILE A 77 -19.427 -13.087 -15.758 1.00 0.00 C ATOM 1213 CD1 ILE A 77 -19.991 -16.070 -15.424 1.00 0.00 C ATOM 0 H ILE A 77 -17.644 -15.594 -18.337 1.00 0.00 H new ATOM 0 HA ILE A 77 -19.185 -13.297 -18.457 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.838 -14.487 -16.011 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -20.563 -15.074 -17.223 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.159 -16.110 -17.389 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.729 -13.486 -14.790 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -18.746 -12.249 -15.609 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -20.308 -12.746 -16.301 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -20.643 -16.922 -15.620 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.078 -16.416 -14.939 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -20.504 -15.364 -14.771 1.00 0.00 H new ATOM 1225 N ASN A 78 -16.029 -12.743 -17.805 1.00 0.00 N ATOM 1226 CA ASN A 78 -15.028 -11.693 -17.686 1.00 0.00 C ATOM 1227 C ASN A 78 -15.240 -10.671 -18.800 1.00 0.00 C ATOM 1228 O ASN A 78 -15.107 -9.464 -18.600 1.00 0.00 O ATOM 1229 CB ASN A 78 -13.615 -12.296 -17.747 1.00 0.00 C ATOM 1230 CG ASN A 78 -12.751 -11.715 -18.854 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -12.505 -10.509 -18.896 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -12.286 -12.571 -19.755 1.00 0.00 N ATOM 0 H ASN A 78 -15.649 -13.681 -17.929 1.00 0.00 H new ATOM 0 HA ASN A 78 -15.132 -11.191 -16.724 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.119 -12.136 -16.789 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.695 -13.374 -17.888 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.700 -12.238 -20.520 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.515 -13.562 -19.682 1.00 0.00 H new ATOM 1239 N LYS A 79 -15.598 -11.189 -19.969 1.00 0.00 N ATOM 1240 CA LYS A 79 -15.872 -10.366 -21.142 1.00 0.00 C ATOM 1241 C LYS A 79 -17.203 -9.652 -20.972 1.00 0.00 C ATOM 1242 O LYS A 79 -17.376 -8.535 -21.458 1.00 0.00 O ATOM 1243 CB LYS A 79 -15.885 -11.208 -22.421 1.00 0.00 C ATOM 1244 CG LYS A 79 -14.515 -11.717 -22.842 1.00 0.00 C ATOM 1245 CD LYS A 79 -14.441 -13.235 -22.789 1.00 0.00 C ATOM 1246 CE LYS A 79 -13.003 -13.721 -22.729 1.00 0.00 C ATOM 1247 NZ LYS A 79 -12.403 -13.854 -24.085 1.00 0.00 N ATOM 0 H LYS A 79 -15.707 -12.190 -20.131 1.00 0.00 H new ATOM 0 HA LYS A 79 -15.075 -9.628 -21.234 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -16.549 -12.060 -22.276 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.304 -10.612 -23.232 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.295 -11.377 -23.854 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.752 -11.292 -22.190 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.985 -13.596 -21.916 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.932 -13.655 -23.667 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.409 -13.025 -22.136 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.967 -14.684 -22.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.459 -14.283 -24.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.010 -14.458 -24.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.320 -12.914 -24.522 1.00 0.00 H new ATOM 1261 N LEU A 80 -18.128 -10.267 -20.247 1.00 0.00 N ATOM 1262 CA LEU A 80 -19.410 -9.629 -19.990 1.00 0.00 C ATOM 1263 C LEU A 80 -19.148 -8.367 -19.179 1.00 0.00 C ATOM 1264 O LEU A 80 -19.611 -7.277 -19.516 1.00 0.00 O ATOM 1265 CB LEU A 80 -20.345 -10.572 -19.230 1.00 0.00 C ATOM 1266 CG LEU A 80 -20.730 -11.846 -19.983 1.00 0.00 C ATOM 1267 CD1 LEU A 80 -21.682 -12.692 -19.151 1.00 0.00 C ATOM 1268 CD2 LEU A 80 -21.355 -11.503 -21.327 1.00 0.00 C ATOM 0 H LEU A 80 -18.017 -11.192 -19.833 1.00 0.00 H new ATOM 0 HA LEU A 80 -19.898 -9.379 -20.932 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -19.868 -10.853 -18.291 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -21.255 -10.029 -18.975 1.00 0.00 H new ATOM 0 HG LEU A 80 -19.825 -12.426 -20.163 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -21.945 -13.594 -19.704 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -21.199 -12.968 -18.214 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -22.586 -12.121 -18.939 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -21.623 -12.422 -21.849 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -22.250 -10.901 -21.169 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -20.641 -10.940 -21.927 1.00 0.00 H new ATOM 1280 N GLU A 81 -18.353 -8.539 -18.129 1.00 0.00 N ATOM 1281 CA GLU A 81 -17.949 -7.448 -17.262 1.00 0.00 C ATOM 1282 C GLU A 81 -17.157 -6.409 -18.045 1.00 0.00 C ATOM 1283 O GLU A 81 -17.433 -5.212 -17.970 1.00 0.00 O ATOM 1284 CB GLU A 81 -17.097 -8.001 -16.126 1.00 0.00 C ATOM 1285 CG GLU A 81 -17.257 -7.245 -14.821 1.00 0.00 C ATOM 1286 CD GLU A 81 -16.294 -7.719 -13.750 1.00 0.00 C ATOM 1287 OE1 GLU A 81 -15.088 -7.846 -14.049 1.00 0.00 O ATOM 1288 OE2 GLU A 81 -16.745 -7.964 -12.612 1.00 0.00 O ATOM 0 H GLU A 81 -17.971 -9.445 -17.857 1.00 0.00 H new ATOM 0 HA GLU A 81 -18.839 -6.967 -16.855 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -17.357 -9.047 -15.964 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -16.049 -7.976 -16.424 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -17.100 -6.181 -15.000 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -18.280 -7.360 -14.462 1.00 0.00 H new ATOM 1295 N ARG A 82 -16.166 -6.878 -18.793 1.00 0.00 N ATOM 1296 CA ARG A 82 -15.323 -5.993 -19.591 1.00 0.00 C ATOM 1297 C ARG A 82 -16.139 -5.273 -20.663 1.00 0.00 C ATOM 1298 O ARG A 82 -15.786 -4.174 -21.089 1.00 0.00 O ATOM 1299 CB ARG A 82 -14.187 -6.789 -20.241 1.00 0.00 C ATOM 1300 CG ARG A 82 -12.807 -6.404 -19.732 1.00 0.00 C ATOM 1301 CD ARG A 82 -11.776 -6.410 -20.851 1.00 0.00 C ATOM 1302 NE ARG A 82 -11.335 -5.062 -21.197 1.00 0.00 N ATOM 1303 CZ ARG A 82 -10.445 -4.368 -20.491 1.00 0.00 C ATOM 1304 NH1 ARG A 82 -9.900 -4.892 -19.400 1.00 0.00 N ATOM 1305 NH2 ARG A 82 -10.100 -3.148 -20.875 1.00 0.00 N ATOM 0 H ARG A 82 -15.925 -7.867 -18.865 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.898 -5.241 -18.926 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.349 -7.852 -20.060 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.222 -6.641 -21.320 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.849 -5.413 -19.280 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -12.500 -7.098 -18.950 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -10.915 -7.006 -20.547 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.201 -6.890 -21.733 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.732 -4.626 -22.029 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.163 -5.831 -19.099 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.219 -4.356 -18.863 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.516 -2.740 -21.712 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.418 -2.617 -20.334 1.00 0.00 H new ATOM 1319 N GLN A 83 -17.230 -5.897 -21.093 1.00 0.00 N ATOM 1320 CA GLN A 83 -18.093 -5.312 -22.111 1.00 0.00 C ATOM 1321 C GLN A 83 -18.937 -4.191 -21.521 1.00 0.00 C ATOM 1322 O GLN A 83 -19.075 -3.123 -22.116 1.00 0.00 O ATOM 1323 CB GLN A 83 -19.002 -6.382 -22.716 1.00 0.00 C ATOM 1324 CG GLN A 83 -18.361 -7.153 -23.856 1.00 0.00 C ATOM 1325 CD GLN A 83 -19.266 -8.239 -24.402 1.00 0.00 C ATOM 1326 OE1 GLN A 83 -19.802 -8.123 -25.504 1.00 0.00 O ATOM 1327 NE2 GLN A 83 -19.442 -9.304 -23.629 1.00 0.00 N ATOM 0 H GLN A 83 -17.537 -6.808 -20.752 1.00 0.00 H new ATOM 0 HA GLN A 83 -17.460 -4.897 -22.896 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -19.294 -7.083 -21.934 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.915 -5.909 -23.077 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -18.103 -6.462 -24.658 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -17.430 -7.601 -23.509 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -18.978 -9.358 -22.722 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -20.041 -10.068 -23.942 1.00 0.00 H new ATOM 1336 N LEU A 84 -19.499 -4.442 -20.343 1.00 0.00 N ATOM 1337 CA LEU A 84 -20.328 -3.453 -19.667 1.00 0.00 C ATOM 1338 C LEU A 84 -19.505 -2.226 -19.291 1.00 0.00 C ATOM 1339 O LEU A 84 -20.036 -1.122 -19.173 1.00 0.00 O ATOM 1340 CB LEU A 84 -20.963 -4.063 -18.418 1.00 0.00 C ATOM 1341 CG LEU A 84 -21.949 -5.203 -18.683 1.00 0.00 C ATOM 1342 CD1 LEU A 84 -21.780 -6.310 -17.655 1.00 0.00 C ATOM 1343 CD2 LEU A 84 -23.380 -4.682 -18.679 1.00 0.00 C ATOM 0 H LEU A 84 -19.395 -5.322 -19.838 1.00 0.00 H new ATOM 0 HA LEU A 84 -21.118 -3.142 -20.351 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -20.169 -4.433 -17.769 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -21.481 -3.275 -17.871 1.00 0.00 H new ATOM 0 HG LEU A 84 -21.736 -5.618 -19.668 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -22.491 -7.110 -17.862 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.765 -6.703 -17.708 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -21.963 -5.911 -16.657 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -24.068 -5.506 -18.869 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -23.603 -4.239 -17.708 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -23.495 -3.927 -19.457 1.00 0.00 H new ATOM 1355 N ASN A 85 -18.203 -2.426 -19.108 1.00 0.00 N ATOM 1356 CA ASN A 85 -17.304 -1.335 -18.753 1.00 0.00 C ATOM 1357 C ASN A 85 -17.259 -0.305 -19.874 1.00 0.00 C ATOM 1358 O ASN A 85 -17.264 0.902 -19.627 1.00 0.00 O ATOM 1359 CB ASN A 85 -15.898 -1.871 -18.479 1.00 0.00 C ATOM 1360 CG ASN A 85 -15.109 -0.974 -17.547 1.00 0.00 C ATOM 1361 OD1 ASN A 85 -14.788 -1.355 -16.421 1.00 0.00 O ATOM 1362 ND2 ASN A 85 -14.791 0.229 -18.013 1.00 0.00 N ATOM 0 H ASN A 85 -17.748 -3.334 -19.200 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.679 -0.857 -17.848 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -15.971 -2.868 -18.044 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -15.361 -1.973 -19.422 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -14.261 0.877 -17.431 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -15.077 0.504 -18.953 1.00 0.00 H new ATOM 1369 N LYS A 86 -17.217 -0.796 -21.108 1.00 0.00 N ATOM 1370 CA LYS A 86 -17.173 0.071 -22.278 1.00 0.00 C ATOM 1371 C LYS A 86 -18.531 0.716 -22.541 1.00 0.00 C ATOM 1372 O LYS A 86 -18.621 1.723 -23.243 1.00 0.00 O ATOM 1373 CB LYS A 86 -16.727 -0.723 -23.508 1.00 0.00 C ATOM 1374 CG LYS A 86 -15.259 -1.115 -23.479 1.00 0.00 C ATOM 1375 CD LYS A 86 -14.379 -0.017 -24.056 1.00 0.00 C ATOM 1376 CE LYS A 86 -12.948 -0.131 -23.556 1.00 0.00 C ATOM 1377 NZ LYS A 86 -12.288 1.200 -23.455 1.00 0.00 N ATOM 0 H LYS A 86 -17.213 -1.793 -21.323 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.452 0.864 -22.080 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.334 -1.625 -23.588 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.919 -0.130 -24.402 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.957 -1.324 -22.453 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.115 -2.034 -24.047 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.391 -0.074 -25.144 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.785 0.957 -23.783 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.942 -0.614 -22.579 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.377 -0.769 -24.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.314 1.079 -23.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.271 1.651 -24.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.818 1.801 -22.792 1.00 0.00 H new