USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=13 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 78 ASN : amide:sc= -1.57 X(o=-1.9,f=-2.1!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 169:sc= -0.322 (180deg=0) USER MOD Set 2.1: A 3 ASN : amide:sc= -0.0394 X(o=-0.24,f=-0.24) USER MOD Set 2.2: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 37 HIS : no HD1:sc= -0.203 X(o=-0.24,f=-0.058) USER MOD Single : A 2 MET CE :methyl -123:sc= -1.53 (180deg=-2.36) USER MOD Single : A 6 SER OG : rot 180:sc= -0.985 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -2.47 K(o=-2.5,f=-6.5!) USER MOD Single : A 9 MET CE :methyl -125:sc= -0.506 (180deg=-1.13) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.61 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 18 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.023) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.097 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0802 X(o=-0.08,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.0091) USER MOD Single : A 55 THR OG1 : rot -11:sc= 0.285 USER MOD Single : A 57 ASN : amide:sc= -1.09 K(o=-1.1,f=-6.9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -6.45! C(o=-6.4!,f=-11!) USER MOD Single : A 69 MET CE :methyl -167:sc= 0 (180deg=-0.0251) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -160:sc= -1.09 USER MOD Single : A 74 ASN : amide:sc= -0.278 K(o=-0.28,f=-3.1!) USER MOD Single : A 83 GLN : amide:sc= -1.87 K(o=-1.9,f=-11!) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N MET A 2 -31.171 -16.657 -15.173 1.00 0.00 N ATOM 18 CA MET A 2 -29.936 -17.360 -15.498 1.00 0.00 C ATOM 19 C MET A 2 -30.234 -18.709 -16.146 1.00 0.00 C ATOM 20 O MET A 2 -30.818 -19.593 -15.520 1.00 0.00 O ATOM 21 CB MET A 2 -29.090 -17.557 -14.238 1.00 0.00 C ATOM 22 CG MET A 2 -27.815 -18.352 -14.476 1.00 0.00 C ATOM 23 SD MET A 2 -27.944 -20.060 -13.911 1.00 0.00 S ATOM 24 CE MET A 2 -27.257 -19.925 -12.263 1.00 0.00 C ATOM 0 HA MET A 2 -29.376 -16.753 -16.209 1.00 0.00 H new ATOM 0 HB2 MET A 2 -28.828 -16.581 -13.830 1.00 0.00 H new ATOM 0 HB3 MET A 2 -29.690 -18.067 -13.484 1.00 0.00 H new ATOM 0 HG2 MET A 2 -27.579 -18.342 -15.540 1.00 0.00 H new ATOM 0 HG3 MET A 2 -26.987 -17.865 -13.961 1.00 0.00 H new ATOM 0 HE1 MET A 2 -26.414 -20.609 -12.163 1.00 0.00 H new ATOM 0 HE2 MET A 2 -26.918 -18.903 -12.093 1.00 0.00 H new ATOM 0 HE3 MET A 2 -28.021 -20.181 -11.528 1.00 0.00 H new ATOM 34 N ASN A 3 -29.835 -18.855 -17.405 1.00 0.00 N ATOM 35 CA ASN A 3 -30.066 -20.094 -18.138 1.00 0.00 C ATOM 36 C ASN A 3 -28.762 -20.671 -18.679 1.00 0.00 C ATOM 37 O ASN A 3 -28.190 -20.148 -19.637 1.00 0.00 O ATOM 38 CB ASN A 3 -31.044 -19.852 -19.290 1.00 0.00 C ATOM 39 CG ASN A 3 -31.980 -21.024 -19.511 1.00 0.00 C ATOM 40 OD1 ASN A 3 -32.591 -21.530 -18.569 1.00 0.00 O ATOM 41 ND2 ASN A 3 -32.096 -21.461 -20.758 1.00 0.00 N ATOM 0 H ASN A 3 -29.351 -18.132 -17.938 1.00 0.00 H new ATOM 0 HA ASN A 3 -30.496 -20.816 -17.444 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -31.630 -18.957 -19.083 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -30.483 -19.661 -20.205 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -32.711 -22.247 -20.968 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -31.570 -21.011 -21.507 1.00 0.00 H new ATOM 48 N ILE A 4 -28.302 -21.757 -18.065 1.00 0.00 N ATOM 49 CA ILE A 4 -27.071 -22.416 -18.487 1.00 0.00 C ATOM 50 C ILE A 4 -27.379 -23.756 -19.152 1.00 0.00 C ATOM 51 O ILE A 4 -28.062 -24.602 -18.573 1.00 0.00 O ATOM 52 CB ILE A 4 -26.117 -22.652 -17.297 1.00 0.00 C ATOM 53 CG1 ILE A 4 -25.888 -21.350 -16.527 1.00 0.00 C ATOM 54 CG2 ILE A 4 -24.794 -23.224 -17.784 1.00 0.00 C ATOM 55 CD1 ILE A 4 -24.957 -21.502 -15.342 1.00 0.00 C ATOM 0 H ILE A 4 -28.765 -22.200 -17.271 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.582 -21.754 -19.202 1.00 0.00 H new ATOM 0 HB ILE A 4 -26.578 -23.373 -16.622 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -25.478 -20.603 -17.207 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -26.848 -20.971 -16.178 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -24.132 -23.385 -16.933 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.972 -24.173 -18.290 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -24.329 -22.524 -18.478 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -24.841 -20.539 -14.844 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.375 -22.225 -14.641 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -23.984 -21.851 -15.686 1.00 0.00 H new ATOM 67 N THR A 5 -26.871 -23.946 -20.366 1.00 0.00 N ATOM 68 CA THR A 5 -27.095 -25.187 -21.101 1.00 0.00 C ATOM 69 C THR A 5 -25.800 -25.704 -21.714 1.00 0.00 C ATOM 70 O THR A 5 -24.824 -24.966 -21.846 1.00 0.00 O ATOM 71 CB THR A 5 -28.143 -24.981 -22.194 1.00 0.00 C ATOM 72 OG1 THR A 5 -27.972 -23.723 -22.824 1.00 0.00 O ATOM 73 CG2 THR A 5 -29.563 -25.054 -21.680 1.00 0.00 C ATOM 0 H THR A 5 -26.303 -23.258 -20.861 1.00 0.00 H new ATOM 0 HA THR A 5 -27.461 -25.931 -20.393 1.00 0.00 H new ATOM 0 HB THR A 5 -27.989 -25.796 -22.901 1.00 0.00 H new ATOM 0 HG1 THR A 5 -28.651 -23.611 -23.521 1.00 0.00 H new ATOM 0 HG21 THR A 5 -30.257 -24.900 -22.506 1.00 0.00 H new ATOM 0 HG22 THR A 5 -29.739 -26.034 -21.236 1.00 0.00 H new ATOM 0 HG23 THR A 5 -29.717 -24.281 -20.927 1.00 0.00 H new ATOM 81 N SER A 6 -25.797 -26.983 -22.079 1.00 0.00 N ATOM 82 CA SER A 6 -24.624 -27.615 -22.671 1.00 0.00 C ATOM 83 C SER A 6 -25.018 -28.914 -23.369 1.00 0.00 C ATOM 84 O SER A 6 -25.817 -29.692 -22.849 1.00 0.00 O ATOM 85 CB SER A 6 -23.578 -27.902 -21.592 1.00 0.00 C ATOM 86 OG SER A 6 -23.896 -29.081 -20.872 1.00 0.00 O ATOM 0 H SER A 6 -26.599 -27.604 -21.974 1.00 0.00 H new ATOM 0 HA SER A 6 -24.197 -26.934 -23.407 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.596 -28.008 -22.053 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.519 -27.058 -20.905 1.00 0.00 H new ATOM 0 HG SER A 6 -23.211 -29.243 -20.190 1.00 0.00 H new ATOM 92 N LYS A 7 -24.456 -29.137 -24.553 1.00 0.00 N ATOM 93 CA LYS A 7 -24.754 -30.335 -25.328 1.00 0.00 C ATOM 94 C LYS A 7 -23.633 -31.362 -25.205 1.00 0.00 C ATOM 95 O LYS A 7 -23.336 -32.089 -26.153 1.00 0.00 O ATOM 96 CB LYS A 7 -24.966 -29.975 -26.800 1.00 0.00 C ATOM 97 CG LYS A 7 -26.098 -28.986 -27.026 1.00 0.00 C ATOM 98 CD LYS A 7 -27.448 -29.600 -26.696 1.00 0.00 C ATOM 99 CE LYS A 7 -28.361 -28.600 -26.007 1.00 0.00 C ATOM 100 NZ LYS A 7 -29.405 -29.273 -25.186 1.00 0.00 N ATOM 0 H LYS A 7 -23.791 -28.503 -24.996 1.00 0.00 H new ATOM 0 HA LYS A 7 -25.669 -30.773 -24.929 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -24.043 -29.556 -27.200 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -25.172 -30.886 -27.362 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -25.939 -28.102 -26.409 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -26.092 -28.655 -28.065 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -27.921 -29.955 -27.612 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -27.306 -30.468 -26.053 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -27.766 -27.944 -25.371 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -28.839 -27.969 -26.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -30.006 -28.556 -24.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -29.989 -29.879 -25.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -28.950 -29.855 -24.454 1.00 0.00 H new ATOM 114 N GLN A 8 -23.018 -31.419 -24.030 1.00 0.00 N ATOM 115 CA GLN A 8 -21.939 -32.356 -23.779 1.00 0.00 C ATOM 116 C GLN A 8 -22.020 -32.914 -22.361 1.00 0.00 C ATOM 117 O GLN A 8 -21.878 -34.118 -22.148 1.00 0.00 O ATOM 118 CB GLN A 8 -20.582 -31.686 -24.010 1.00 0.00 C ATOM 119 CG GLN A 8 -19.839 -32.223 -25.225 1.00 0.00 C ATOM 120 CD GLN A 8 -18.426 -32.667 -24.897 1.00 0.00 C ATOM 121 OE1 GLN A 8 -17.483 -32.362 -25.627 1.00 0.00 O ATOM 122 NE2 GLN A 8 -18.273 -33.394 -23.796 1.00 0.00 N ATOM 0 H GLN A 8 -23.252 -30.823 -23.236 1.00 0.00 H new ATOM 0 HA GLN A 8 -22.043 -33.185 -24.479 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.731 -30.613 -24.130 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -19.962 -31.824 -23.124 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -20.392 -33.064 -25.642 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -19.804 -31.452 -25.995 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -19.083 -33.624 -23.220 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.346 -33.723 -23.527 1.00 0.00 H new ATOM 131 N MET A 9 -22.249 -32.030 -21.395 1.00 0.00 N ATOM 132 CA MET A 9 -22.349 -32.435 -19.997 1.00 0.00 C ATOM 133 C MET A 9 -23.663 -31.957 -19.386 1.00 0.00 C ATOM 134 O MET A 9 -24.492 -31.352 -20.066 1.00 0.00 O ATOM 135 CB MET A 9 -21.171 -31.878 -19.192 1.00 0.00 C ATOM 136 CG MET A 9 -19.869 -31.811 -19.975 1.00 0.00 C ATOM 137 SD MET A 9 -19.729 -30.308 -20.960 1.00 0.00 S ATOM 138 CE MET A 9 -18.421 -29.450 -20.087 1.00 0.00 C ATOM 0 H MET A 9 -22.369 -31.030 -21.554 1.00 0.00 H new ATOM 0 HA MET A 9 -22.322 -33.524 -19.960 1.00 0.00 H new ATOM 0 HB2 MET A 9 -21.424 -30.878 -18.840 1.00 0.00 H new ATOM 0 HB3 MET A 9 -21.021 -32.498 -18.308 1.00 0.00 H new ATOM 0 HG2 MET A 9 -19.029 -31.866 -19.282 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.799 -32.679 -20.631 1.00 0.00 H new ATOM 0 HE1 MET A 9 -18.765 -28.455 -19.803 1.00 0.00 H new ATOM 0 HE2 MET A 9 -18.153 -30.011 -19.192 1.00 0.00 H new ATOM 0 HE3 MET A 9 -17.549 -29.361 -20.735 1.00 0.00 H new ATOM 148 N GLU A 10 -23.843 -32.231 -18.099 1.00 0.00 N ATOM 149 CA GLU A 10 -25.053 -31.827 -17.392 1.00 0.00 C ATOM 150 C GLU A 10 -24.757 -30.664 -16.452 1.00 0.00 C ATOM 151 O GLU A 10 -23.597 -30.383 -16.149 1.00 0.00 O ATOM 152 CB GLU A 10 -25.622 -33.008 -16.603 1.00 0.00 C ATOM 153 CG GLU A 10 -26.894 -32.677 -15.839 1.00 0.00 C ATOM 154 CD GLU A 10 -27.716 -33.910 -15.514 1.00 0.00 C ATOM 155 OE1 GLU A 10 -28.550 -34.307 -16.355 1.00 0.00 O ATOM 156 OE2 GLU A 10 -27.524 -34.479 -14.419 1.00 0.00 O ATOM 0 H GLU A 10 -23.166 -32.732 -17.523 1.00 0.00 H new ATOM 0 HA GLU A 10 -25.791 -31.503 -18.125 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.825 -33.829 -17.291 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -24.868 -33.361 -15.900 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -26.634 -32.163 -14.913 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.498 -31.987 -16.428 1.00 0.00 H new ATOM 163 N ILE A 11 -25.805 -29.984 -15.997 1.00 0.00 N ATOM 164 CA ILE A 11 -25.644 -28.848 -15.101 1.00 0.00 C ATOM 165 C ILE A 11 -25.671 -29.293 -13.645 1.00 0.00 C ATOM 166 O ILE A 11 -26.670 -29.828 -13.163 1.00 0.00 O ATOM 167 CB ILE A 11 -26.752 -27.804 -15.325 1.00 0.00 C ATOM 168 CG1 ILE A 11 -26.989 -27.593 -16.826 1.00 0.00 C ATOM 169 CG2 ILE A 11 -26.396 -26.493 -14.636 1.00 0.00 C ATOM 170 CD1 ILE A 11 -25.981 -26.673 -17.483 1.00 0.00 C ATOM 0 H ILE A 11 -26.773 -30.201 -16.235 1.00 0.00 H new ATOM 0 HA ILE A 11 -24.676 -28.398 -15.324 1.00 0.00 H new ATOM 0 HB ILE A 11 -27.678 -28.174 -14.884 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -26.964 -28.561 -17.327 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -27.989 -27.184 -16.972 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -27.190 -25.766 -14.805 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -26.282 -26.664 -13.566 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -25.461 -26.110 -15.044 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -26.215 -26.574 -18.543 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -26.021 -25.692 -17.009 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -24.980 -27.090 -17.370 1.00 0.00 H new ATOM 182 N THR A 12 -24.564 -29.060 -12.950 1.00 0.00 N ATOM 183 CA THR A 12 -24.448 -29.425 -11.543 1.00 0.00 C ATOM 184 C THR A 12 -24.650 -28.206 -10.647 1.00 0.00 C ATOM 185 O THR A 12 -24.393 -27.075 -11.060 1.00 0.00 O ATOM 186 CB THR A 12 -23.080 -30.053 -11.271 1.00 0.00 C ATOM 187 OG1 THR A 12 -22.069 -29.062 -11.245 1.00 0.00 O ATOM 188 CG2 THR A 12 -22.685 -31.090 -12.300 1.00 0.00 C ATOM 0 H THR A 12 -23.731 -28.618 -13.339 1.00 0.00 H new ATOM 0 HA THR A 12 -25.226 -30.153 -11.315 1.00 0.00 H new ATOM 0 HB THR A 12 -23.173 -30.544 -10.302 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.202 -29.484 -11.068 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.705 -31.497 -12.049 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.421 -31.894 -12.307 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.644 -30.627 -13.286 1.00 0.00 H new ATOM 196 N PRO A 13 -25.100 -28.418 -9.399 1.00 0.00 N ATOM 197 CA PRO A 13 -25.317 -27.326 -8.446 1.00 0.00 C ATOM 198 C PRO A 13 -24.052 -26.514 -8.216 1.00 0.00 C ATOM 199 O PRO A 13 -24.115 -25.328 -7.892 1.00 0.00 O ATOM 200 CB PRO A 13 -25.743 -28.038 -7.155 1.00 0.00 C ATOM 201 CG PRO A 13 -25.346 -29.465 -7.340 1.00 0.00 C ATOM 202 CD PRO A 13 -25.419 -29.730 -8.816 1.00 0.00 C ATOM 0 HA PRO A 13 -26.058 -26.613 -8.807 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -25.251 -27.603 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -26.817 -27.947 -6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -24.339 -29.641 -6.962 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -26.014 -30.129 -6.791 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -24.706 -30.494 -9.125 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -26.408 -30.076 -9.116 1.00 0.00 H new ATOM 210 N ALA A 14 -22.902 -27.153 -8.392 1.00 0.00 N ATOM 211 CA ALA A 14 -21.627 -26.475 -8.207 1.00 0.00 C ATOM 212 C ALA A 14 -21.341 -25.548 -9.379 1.00 0.00 C ATOM 213 O ALA A 14 -20.864 -24.428 -9.198 1.00 0.00 O ATOM 214 CB ALA A 14 -20.504 -27.488 -8.041 1.00 0.00 C ATOM 0 H ALA A 14 -22.827 -28.134 -8.661 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.685 -25.874 -7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.558 -26.964 -7.904 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.703 -28.112 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -20.445 -28.115 -8.931 1.00 0.00 H new ATOM 220 N ILE A 15 -21.658 -26.017 -10.582 1.00 0.00 N ATOM 221 CA ILE A 15 -21.457 -25.221 -11.781 1.00 0.00 C ATOM 222 C ILE A 15 -22.501 -24.117 -11.833 1.00 0.00 C ATOM 223 O ILE A 15 -22.246 -23.023 -12.338 1.00 0.00 O ATOM 224 CB ILE A 15 -21.553 -26.080 -13.058 1.00 0.00 C ATOM 225 CG1 ILE A 15 -20.578 -27.257 -12.981 1.00 0.00 C ATOM 226 CG2 ILE A 15 -21.270 -25.236 -14.293 1.00 0.00 C ATOM 227 CD1 ILE A 15 -20.965 -28.421 -13.867 1.00 0.00 C ATOM 0 H ILE A 15 -22.054 -26.942 -10.749 1.00 0.00 H new ATOM 0 HA ILE A 15 -20.455 -24.793 -11.739 1.00 0.00 H new ATOM 0 HB ILE A 15 -22.567 -26.472 -13.135 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.583 -26.913 -13.261 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -20.517 -27.601 -11.949 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -21.342 -25.859 -15.184 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -21.998 -24.427 -14.356 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.266 -24.816 -14.225 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -20.230 -29.219 -13.762 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -21.947 -28.792 -13.573 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -20.998 -28.092 -14.906 1.00 0.00 H new ATOM 239 N ARG A 16 -23.674 -24.409 -11.279 1.00 0.00 N ATOM 240 CA ARG A 16 -24.754 -23.441 -11.232 1.00 0.00 C ATOM 241 C ARG A 16 -24.416 -22.355 -10.220 1.00 0.00 C ATOM 242 O ARG A 16 -24.549 -21.164 -10.499 1.00 0.00 O ATOM 243 CB ARG A 16 -26.073 -24.125 -10.860 1.00 0.00 C ATOM 244 CG ARG A 16 -27.135 -24.026 -11.944 1.00 0.00 C ATOM 245 CD ARG A 16 -28.453 -23.507 -11.390 1.00 0.00 C ATOM 246 NE ARG A 16 -29.602 -24.195 -11.976 1.00 0.00 N ATOM 247 CZ ARG A 16 -30.832 -24.149 -11.469 1.00 0.00 C ATOM 248 NH1 ARG A 16 -31.078 -23.448 -10.368 1.00 0.00 N ATOM 249 NH2 ARG A 16 -31.818 -24.804 -12.065 1.00 0.00 N ATOM 0 H ARG A 16 -23.897 -25.311 -10.857 1.00 0.00 H new ATOM 0 HA ARG A 16 -24.872 -22.990 -12.217 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -25.880 -25.176 -10.646 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -26.458 -23.679 -9.943 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -26.787 -23.364 -12.736 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -27.290 -25.007 -12.394 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -28.467 -23.635 -10.308 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -28.532 -22.438 -11.585 1.00 0.00 H new ATOM 0 HE ARG A 16 -29.452 -24.743 -12.823 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -30.323 -22.941 -9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -32.022 -23.416 -9.984 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -31.634 -25.343 -12.911 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -32.761 -24.769 -11.677 1.00 0.00 H new ATOM 263 N GLN A 17 -23.954 -22.783 -9.046 1.00 0.00 N ATOM 264 CA GLN A 17 -23.567 -21.859 -7.990 1.00 0.00 C ATOM 265 C GLN A 17 -22.326 -21.076 -8.401 1.00 0.00 C ATOM 266 O GLN A 17 -22.198 -19.894 -8.081 1.00 0.00 O ATOM 267 CB GLN A 17 -23.326 -22.617 -6.684 1.00 0.00 C ATOM 268 CG GLN A 17 -22.703 -21.773 -5.582 1.00 0.00 C ATOM 269 CD GLN A 17 -23.362 -21.993 -4.235 1.00 0.00 C ATOM 270 OE1 GLN A 17 -23.565 -23.130 -3.809 1.00 0.00 O ATOM 271 NE2 GLN A 17 -23.701 -20.903 -3.556 1.00 0.00 N ATOM 0 H GLN A 17 -23.840 -23.768 -8.805 1.00 0.00 H new ATOM 0 HA GLN A 17 -24.379 -21.150 -7.828 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -24.275 -23.017 -6.328 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -22.677 -23.469 -6.885 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -21.641 -22.008 -5.506 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -22.777 -20.719 -5.851 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -23.514 -19.980 -3.947 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -24.148 -20.989 -2.643 1.00 0.00 H new ATOM 280 N HIS A 18 -21.426 -21.720 -9.131 1.00 0.00 N ATOM 281 CA HIS A 18 -20.218 -21.045 -9.597 1.00 0.00 C ATOM 282 C HIS A 18 -20.601 -19.828 -10.442 1.00 0.00 C ATOM 283 O HIS A 18 -20.332 -18.685 -10.063 1.00 0.00 O ATOM 284 CB HIS A 18 -19.331 -22.002 -10.397 1.00 0.00 C ATOM 285 CG HIS A 18 -18.146 -21.339 -11.029 1.00 0.00 C ATOM 286 ND1 HIS A 18 -16.912 -21.257 -10.418 1.00 0.00 N ATOM 287 CD2 HIS A 18 -18.011 -20.722 -12.228 1.00 0.00 C ATOM 288 CE1 HIS A 18 -16.071 -20.618 -11.212 1.00 0.00 C ATOM 289 NE2 HIS A 18 -16.713 -20.284 -12.316 1.00 0.00 N ATOM 0 H HIS A 18 -21.505 -22.697 -9.412 1.00 0.00 H new ATOM 0 HA HIS A 18 -19.647 -20.710 -8.731 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -18.983 -22.797 -9.738 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -19.930 -22.474 -11.176 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -18.781 -20.598 -12.975 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.035 -20.405 -10.995 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -16.310 -19.782 -13.107 1.00 0.00 H new ATOM 298 N VAL A 19 -21.260 -20.072 -11.569 1.00 0.00 N ATOM 299 CA VAL A 19 -21.700 -18.990 -12.433 1.00 0.00 C ATOM 300 C VAL A 19 -22.677 -18.085 -11.690 1.00 0.00 C ATOM 301 O VAL A 19 -22.588 -16.860 -11.779 1.00 0.00 O ATOM 302 CB VAL A 19 -22.374 -19.527 -13.710 1.00 0.00 C ATOM 303 CG1 VAL A 19 -22.685 -18.388 -14.666 1.00 0.00 C ATOM 304 CG2 VAL A 19 -21.497 -20.573 -14.382 1.00 0.00 C ATOM 0 H VAL A 19 -21.499 -21.006 -11.902 1.00 0.00 H new ATOM 0 HA VAL A 19 -20.817 -18.420 -12.721 1.00 0.00 H new ATOM 0 HB VAL A 19 -23.313 -20.004 -13.429 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -23.161 -18.785 -15.563 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -23.357 -17.680 -14.182 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -21.760 -17.881 -14.940 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -21.992 -20.939 -15.282 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -20.539 -20.127 -14.650 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -21.331 -21.404 -13.696 1.00 0.00 H new ATOM 314 N ALA A 20 -23.599 -18.690 -10.949 1.00 0.00 N ATOM 315 CA ALA A 20 -24.578 -17.927 -10.184 1.00 0.00 C ATOM 316 C ALA A 20 -23.900 -16.954 -9.222 1.00 0.00 C ATOM 317 O ALA A 20 -24.284 -15.787 -9.138 1.00 0.00 O ATOM 318 CB ALA A 20 -25.516 -18.853 -9.434 1.00 0.00 C ATOM 0 H ALA A 20 -23.689 -19.702 -10.862 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.164 -17.341 -10.892 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -26.238 -18.262 -8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -26.044 -19.489 -10.144 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -24.941 -19.475 -8.747 1.00 0.00 H new ATOM 324 N ASP A 21 -22.890 -17.434 -8.496 1.00 0.00 N ATOM 325 CA ASP A 21 -22.175 -16.586 -7.547 1.00 0.00 C ATOM 326 C ASP A 21 -21.539 -15.400 -8.263 1.00 0.00 C ATOM 327 O ASP A 21 -21.415 -14.313 -7.699 1.00 0.00 O ATOM 328 CB ASP A 21 -21.112 -17.389 -6.784 1.00 0.00 C ATOM 329 CG ASP A 21 -19.854 -17.651 -7.595 1.00 0.00 C ATOM 330 OD1 ASP A 21 -19.233 -16.676 -8.069 1.00 0.00 O ATOM 331 OD2 ASP A 21 -19.482 -18.832 -7.743 1.00 0.00 O ATOM 0 H ASP A 21 -22.553 -18.395 -8.547 1.00 0.00 H new ATOM 0 HA ASP A 21 -22.896 -16.207 -6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.844 -16.850 -5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -21.541 -18.342 -6.474 1.00 0.00 H new ATOM 336 N ARG A 22 -21.144 -15.619 -9.512 1.00 0.00 N ATOM 337 CA ARG A 22 -20.527 -14.565 -10.310 1.00 0.00 C ATOM 338 C ARG A 22 -21.569 -13.540 -10.743 1.00 0.00 C ATOM 339 O ARG A 22 -21.247 -12.369 -10.951 1.00 0.00 O ATOM 340 CB ARG A 22 -19.838 -15.158 -11.539 1.00 0.00 C ATOM 341 CG ARG A 22 -18.719 -16.130 -11.202 1.00 0.00 C ATOM 342 CD ARG A 22 -17.559 -15.428 -10.513 1.00 0.00 C ATOM 343 NE ARG A 22 -16.551 -16.373 -10.039 1.00 0.00 N ATOM 344 CZ ARG A 22 -15.650 -16.090 -9.102 1.00 0.00 C ATOM 345 NH1 ARG A 22 -15.625 -14.888 -8.537 1.00 0.00 N ATOM 346 NH2 ARG A 22 -14.769 -17.008 -8.729 1.00 0.00 N ATOM 0 H ARG A 22 -21.239 -16.513 -9.993 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.780 -14.066 -9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -20.581 -15.671 -12.149 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.433 -14.347 -12.144 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -19.104 -16.919 -10.556 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.365 -16.609 -12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.098 -14.724 -11.206 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.935 -14.847 -9.671 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.537 -17.306 -10.451 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.299 -14.177 -8.821 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.932 -14.676 -7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.782 -17.932 -9.161 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.079 -16.790 -8.011 1.00 0.00 H new ATOM 360 N LEU A 23 -22.820 -13.971 -10.858 1.00 0.00 N ATOM 361 CA LEU A 23 -23.896 -13.067 -11.244 1.00 0.00 C ATOM 362 C LEU A 23 -24.159 -12.065 -10.129 1.00 0.00 C ATOM 363 O LEU A 23 -24.213 -10.857 -10.359 1.00 0.00 O ATOM 364 CB LEU A 23 -25.180 -13.842 -11.558 1.00 0.00 C ATOM 365 CG LEU A 23 -24.979 -15.223 -12.185 1.00 0.00 C ATOM 366 CD1 LEU A 23 -26.314 -15.808 -12.620 1.00 0.00 C ATOM 367 CD2 LEU A 23 -24.022 -15.144 -13.365 1.00 0.00 C ATOM 0 H LEU A 23 -23.113 -14.934 -10.691 1.00 0.00 H new ATOM 0 HA LEU A 23 -23.587 -12.536 -12.144 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -25.747 -13.960 -10.635 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -25.790 -13.241 -12.232 1.00 0.00 H new ATOM 0 HG LEU A 23 -24.541 -15.880 -11.434 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -26.153 -16.790 -13.064 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -26.969 -15.904 -11.754 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -26.778 -15.149 -13.354 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -23.893 -16.137 -13.796 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -24.429 -14.471 -14.119 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -23.057 -14.768 -13.026 1.00 0.00 H new ATOM 379 N ALA A 24 -24.312 -12.582 -8.916 1.00 0.00 N ATOM 380 CA ALA A 24 -24.558 -11.743 -7.749 1.00 0.00 C ATOM 381 C ALA A 24 -23.411 -10.762 -7.529 1.00 0.00 C ATOM 382 O ALA A 24 -23.598 -9.689 -6.956 1.00 0.00 O ATOM 383 CB ALA A 24 -24.764 -12.605 -6.514 1.00 0.00 C ATOM 0 H ALA A 24 -24.270 -13.581 -8.714 1.00 0.00 H new ATOM 0 HA ALA A 24 -25.465 -11.166 -7.930 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -24.947 -11.966 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -25.621 -13.261 -6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -23.873 -13.207 -6.338 1.00 0.00 H new ATOM 389 N LYS A 25 -22.222 -11.136 -7.994 1.00 0.00 N ATOM 390 CA LYS A 25 -21.043 -10.293 -7.856 1.00 0.00 C ATOM 391 C LYS A 25 -21.067 -9.161 -8.876 1.00 0.00 C ATOM 392 O LYS A 25 -20.592 -8.059 -8.602 1.00 0.00 O ATOM 393 CB LYS A 25 -19.772 -11.123 -8.028 1.00 0.00 C ATOM 394 CG LYS A 25 -18.493 -10.319 -7.866 1.00 0.00 C ATOM 395 CD LYS A 25 -17.264 -11.177 -8.110 1.00 0.00 C ATOM 396 CE LYS A 25 -16.162 -10.391 -8.801 1.00 0.00 C ATOM 397 NZ LYS A 25 -14.811 -10.771 -8.302 1.00 0.00 N ATOM 0 H LYS A 25 -22.052 -12.021 -8.471 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.050 -9.860 -6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.776 -11.934 -7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.779 -11.583 -9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.498 -9.481 -8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.451 -9.898 -6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.895 -11.564 -7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -17.536 -12.038 -8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.213 -10.563 -9.876 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.321 -9.325 -8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.088 -10.212 -8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.753 -10.583 -7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.648 -11.783 -8.478 1.00 0.00 H new ATOM 411 N LEU A 26 -21.633 -9.431 -10.046 1.00 0.00 N ATOM 412 CA LEU A 26 -21.728 -8.419 -11.093 1.00 0.00 C ATOM 413 C LEU A 26 -22.907 -7.484 -10.832 1.00 0.00 C ATOM 414 O LEU A 26 -23.767 -7.296 -11.694 1.00 0.00 O ATOM 415 CB LEU A 26 -21.873 -9.083 -12.464 1.00 0.00 C ATOM 416 CG LEU A 26 -20.744 -10.044 -12.842 1.00 0.00 C ATOM 417 CD1 LEU A 26 -21.279 -11.192 -13.683 1.00 0.00 C ATOM 418 CD2 LEU A 26 -19.642 -9.303 -13.585 1.00 0.00 C ATOM 0 H LEU A 26 -22.031 -10.337 -10.294 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.811 -7.830 -11.084 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -22.817 -9.628 -12.489 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -21.935 -8.303 -13.223 1.00 0.00 H new ATOM 0 HG LEU A 26 -20.323 -10.459 -11.926 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -20.462 -11.865 -13.942 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -22.033 -11.738 -13.116 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -21.727 -10.797 -14.595 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.847 -10.001 -13.847 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.050 -8.860 -14.494 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -19.239 -8.516 -12.948 1.00 0.00 H new ATOM 592 N PRO A 36 -30.166 -13.343 -19.211 1.00 0.00 N ATOM 593 CA PRO A 36 -28.823 -13.915 -19.315 1.00 0.00 C ATOM 594 C PRO A 36 -28.846 -15.359 -19.804 1.00 0.00 C ATOM 595 O PRO A 36 -29.631 -16.172 -19.316 1.00 0.00 O ATOM 596 CB PRO A 36 -28.301 -13.844 -17.881 1.00 0.00 C ATOM 597 CG PRO A 36 -29.524 -13.914 -17.034 1.00 0.00 C ATOM 598 CD PRO A 36 -30.608 -13.214 -17.808 1.00 0.00 C ATOM 0 HA PRO A 36 -28.204 -13.381 -20.036 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.621 -14.668 -17.665 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -27.749 -12.921 -17.705 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.798 -14.949 -16.829 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -29.359 -13.431 -16.071 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.580 -13.680 -17.649 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -30.703 -12.169 -17.511 1.00 0.00 H new ATOM 606 N HIS A 37 -27.982 -15.680 -20.762 1.00 0.00 N ATOM 607 CA HIS A 37 -27.918 -17.035 -21.293 1.00 0.00 C ATOM 608 C HIS A 37 -26.470 -17.502 -21.391 1.00 0.00 C ATOM 609 O HIS A 37 -25.609 -16.769 -21.876 1.00 0.00 O ATOM 610 CB HIS A 37 -28.584 -17.102 -22.668 1.00 0.00 C ATOM 611 CG HIS A 37 -29.165 -18.445 -22.987 1.00 0.00 C ATOM 612 ND1 HIS A 37 -30.392 -18.609 -23.596 1.00 0.00 N ATOM 613 CD2 HIS A 37 -28.681 -19.692 -22.777 1.00 0.00 C ATOM 614 CE1 HIS A 37 -30.637 -19.899 -23.747 1.00 0.00 C ATOM 615 NE2 HIS A 37 -29.614 -20.577 -23.258 1.00 0.00 N ATOM 0 H HIS A 37 -27.322 -15.026 -21.183 1.00 0.00 H new ATOM 0 HA HIS A 37 -28.454 -17.695 -20.611 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -29.374 -16.353 -22.717 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -27.850 -16.842 -23.431 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -27.737 -19.944 -22.317 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -31.523 -20.326 -24.194 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -29.531 -21.593 -23.241 1.00 0.00 H new ATOM 624 N ILE A 38 -26.203 -18.720 -20.932 1.00 0.00 N ATOM 625 CA ILE A 38 -24.852 -19.264 -20.978 1.00 0.00 C ATOM 626 C ILE A 38 -24.839 -20.652 -21.608 1.00 0.00 C ATOM 627 O ILE A 38 -25.602 -21.533 -21.212 1.00 0.00 O ATOM 628 CB ILE A 38 -24.226 -19.337 -19.567 1.00 0.00 C ATOM 629 CG1 ILE A 38 -24.234 -17.955 -18.909 1.00 0.00 C ATOM 630 CG2 ILE A 38 -22.807 -19.889 -19.636 1.00 0.00 C ATOM 631 CD1 ILE A 38 -25.605 -17.508 -18.452 1.00 0.00 C ATOM 0 H ILE A 38 -26.900 -19.345 -20.527 1.00 0.00 H new ATOM 0 HA ILE A 38 -24.258 -18.588 -21.593 1.00 0.00 H new ATOM 0 HB ILE A 38 -24.826 -20.014 -18.958 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -23.561 -17.966 -18.052 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -23.839 -17.224 -19.615 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -22.384 -19.932 -18.632 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -22.827 -20.891 -20.065 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -22.194 -19.239 -20.260 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -25.533 -16.521 -17.996 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -26.277 -17.463 -19.309 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -25.994 -18.217 -17.722 1.00 0.00 H new ATOM 643 N ILE A 39 -23.958 -20.841 -22.583 1.00 0.00 N ATOM 644 CA ILE A 39 -23.831 -22.122 -23.265 1.00 0.00 C ATOM 645 C ILE A 39 -22.437 -22.701 -23.053 1.00 0.00 C ATOM 646 O ILE A 39 -21.448 -21.967 -23.064 1.00 0.00 O ATOM 647 CB ILE A 39 -24.098 -21.985 -24.776 1.00 0.00 C ATOM 648 CG1 ILE A 39 -25.420 -21.254 -25.017 1.00 0.00 C ATOM 649 CG2 ILE A 39 -24.116 -23.356 -25.438 1.00 0.00 C ATOM 650 CD1 ILE A 39 -25.252 -19.775 -25.292 1.00 0.00 C ATOM 0 H ILE A 39 -23.319 -20.120 -22.920 1.00 0.00 H new ATOM 0 HA ILE A 39 -24.577 -22.793 -22.839 1.00 0.00 H new ATOM 0 HB ILE A 39 -23.293 -21.399 -25.221 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -25.933 -21.716 -25.861 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -26.061 -21.383 -24.145 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -24.306 -23.242 -26.505 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -23.152 -23.844 -25.291 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -24.903 -23.965 -24.992 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -26.230 -19.322 -25.453 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -24.768 -19.299 -24.439 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -24.637 -19.638 -26.182 1.00 0.00 H new ATOM 662 N LEU A 40 -22.357 -24.012 -22.853 1.00 0.00 N ATOM 663 CA LEU A 40 -21.081 -24.671 -22.632 1.00 0.00 C ATOM 664 C LEU A 40 -20.789 -25.687 -23.730 1.00 0.00 C ATOM 665 O LEU A 40 -21.601 -26.570 -24.008 1.00 0.00 O ATOM 666 CB LEU A 40 -21.091 -25.365 -21.272 1.00 0.00 C ATOM 667 CG LEU A 40 -20.833 -24.451 -20.073 1.00 0.00 C ATOM 668 CD1 LEU A 40 -19.374 -24.024 -20.031 1.00 0.00 C ATOM 669 CD2 LEU A 40 -21.747 -23.235 -20.122 1.00 0.00 C ATOM 0 H LEU A 40 -23.163 -24.637 -22.840 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.296 -23.915 -22.653 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -22.057 -25.851 -21.137 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -20.337 -26.152 -21.278 1.00 0.00 H new ATOM 0 HG LEU A 40 -21.053 -25.008 -19.162 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -19.210 -23.374 -19.171 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -18.739 -24.906 -19.946 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -19.126 -23.485 -20.946 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -21.549 -22.596 -19.261 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -21.560 -22.676 -21.039 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -22.787 -23.560 -20.101 1.00 0.00 H new ATOM 681 N SER A 41 -19.620 -25.556 -24.344 1.00 0.00 N ATOM 682 CA SER A 41 -19.200 -26.457 -25.407 1.00 0.00 C ATOM 683 C SER A 41 -17.862 -27.102 -25.059 1.00 0.00 C ATOM 684 O SER A 41 -17.356 -26.940 -23.948 1.00 0.00 O ATOM 685 CB SER A 41 -19.089 -25.699 -26.733 1.00 0.00 C ATOM 686 OG SER A 41 -18.955 -24.305 -26.514 1.00 0.00 O ATOM 0 H SER A 41 -18.942 -24.828 -24.121 1.00 0.00 H new ATOM 0 HA SER A 41 -19.950 -27.241 -25.512 1.00 0.00 H new ATOM 0 HB2 SER A 41 -18.230 -26.066 -27.295 1.00 0.00 H new ATOM 0 HB3 SER A 41 -19.973 -25.892 -27.341 1.00 0.00 H new ATOM 0 HG SER A 41 -18.884 -23.844 -27.376 1.00 0.00 H new ATOM 692 N LYS A 42 -17.294 -27.835 -26.010 1.00 0.00 N ATOM 693 CA LYS A 42 -16.017 -28.504 -25.793 1.00 0.00 C ATOM 694 C LYS A 42 -15.503 -29.130 -27.082 1.00 0.00 C ATOM 695 O LYS A 42 -16.277 -29.605 -27.913 1.00 0.00 O ATOM 696 CB LYS A 42 -16.162 -29.581 -24.715 1.00 0.00 C ATOM 697 CG LYS A 42 -14.879 -30.353 -24.445 1.00 0.00 C ATOM 698 CD LYS A 42 -15.160 -31.675 -23.747 1.00 0.00 C ATOM 699 CE LYS A 42 -13.898 -32.263 -23.138 1.00 0.00 C ATOM 700 NZ LYS A 42 -13.461 -33.496 -23.849 1.00 0.00 N ATOM 0 H LYS A 42 -17.696 -27.981 -26.936 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.296 -27.757 -25.461 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.496 -29.113 -23.789 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.941 -30.282 -25.016 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.361 -30.540 -25.386 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.213 -29.749 -23.829 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.906 -31.524 -22.966 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.584 -32.381 -24.461 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.099 -31.522 -23.172 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.075 -32.493 -22.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.597 -33.866 -23.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.213 -34.213 -23.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.267 -33.272 -24.846 1.00 0.00 H new ATOM 714 N GLU A 43 -14.188 -29.141 -27.223 1.00 0.00 N ATOM 715 CA GLU A 43 -13.537 -29.720 -28.386 1.00 0.00 C ATOM 716 C GLU A 43 -12.404 -30.625 -27.925 1.00 0.00 C ATOM 717 O GLU A 43 -12.018 -30.587 -26.757 1.00 0.00 O ATOM 718 CB GLU A 43 -13.002 -28.619 -29.304 1.00 0.00 C ATOM 719 CG GLU A 43 -14.080 -27.951 -30.141 1.00 0.00 C ATOM 720 CD GLU A 43 -13.571 -26.727 -30.877 1.00 0.00 C ATOM 721 OE1 GLU A 43 -12.456 -26.790 -31.435 1.00 0.00 O ATOM 722 OE2 GLU A 43 -14.289 -25.704 -30.895 1.00 0.00 O ATOM 0 H GLU A 43 -13.543 -28.750 -26.536 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.262 -30.307 -28.950 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.503 -27.863 -28.698 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.249 -29.044 -29.968 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.471 -28.668 -30.863 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.910 -27.663 -29.496 1.00 0.00 H new ATOM 729 N PRO A 44 -11.852 -31.460 -28.817 1.00 0.00 N ATOM 730 CA PRO A 44 -10.765 -32.369 -28.449 1.00 0.00 C ATOM 731 C PRO A 44 -9.636 -31.656 -27.719 1.00 0.00 C ATOM 732 O PRO A 44 -8.838 -32.278 -27.018 1.00 0.00 O ATOM 733 CB PRO A 44 -10.290 -32.914 -29.789 1.00 0.00 C ATOM 734 CG PRO A 44 -11.488 -32.833 -30.671 1.00 0.00 C ATOM 735 CD PRO A 44 -12.239 -31.603 -30.232 1.00 0.00 C ATOM 0 HA PRO A 44 -11.095 -33.145 -27.758 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.464 -32.325 -30.187 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.934 -33.940 -29.696 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.198 -32.760 -31.719 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.107 -33.725 -30.573 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.956 -30.728 -30.817 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.316 -31.727 -30.344 1.00 0.00 H new ATOM 743 N GLN A 45 -9.590 -30.346 -27.881 1.00 0.00 N ATOM 744 CA GLN A 45 -8.585 -29.530 -27.240 1.00 0.00 C ATOM 745 C GLN A 45 -9.030 -29.149 -25.837 1.00 0.00 C ATOM 746 O GLN A 45 -8.545 -29.698 -24.848 1.00 0.00 O ATOM 747 CB GLN A 45 -8.309 -28.272 -28.070 1.00 0.00 C ATOM 748 CG GLN A 45 -6.868 -28.160 -28.542 1.00 0.00 C ATOM 749 CD GLN A 45 -6.636 -28.853 -29.870 1.00 0.00 C ATOM 750 OE1 GLN A 45 -5.849 -29.796 -29.961 1.00 0.00 O ATOM 751 NE2 GLN A 45 -7.319 -28.387 -30.909 1.00 0.00 N ATOM 0 H GLN A 45 -10.248 -29.823 -28.459 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.663 -30.108 -27.169 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.969 -28.267 -28.938 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.558 -27.393 -27.476 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.600 -27.107 -28.634 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.208 -28.593 -27.790 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.961 -27.603 -30.788 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.202 -28.813 -31.829 1.00 0.00 H new ATOM 760 N GLY A 46 -9.944 -28.198 -25.762 1.00 0.00 N ATOM 761 CA GLY A 46 -10.434 -27.741 -24.474 1.00 0.00 C ATOM 762 C GLY A 46 -11.914 -27.419 -24.491 1.00 0.00 C ATOM 763 O GLY A 46 -12.652 -27.906 -25.347 1.00 0.00 O ATOM 0 H GLY A 46 -10.358 -27.731 -26.569 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.242 -28.508 -23.724 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.877 -26.854 -24.172 1.00 0.00 H new ATOM 767 N PHE A 47 -12.354 -26.604 -23.533 1.00 0.00 N ATOM 768 CA PHE A 47 -13.762 -26.234 -23.438 1.00 0.00 C ATOM 769 C PHE A 47 -14.013 -24.798 -23.859 1.00 0.00 C ATOM 770 O PHE A 47 -13.150 -23.929 -23.733 1.00 0.00 O ATOM 771 CB PHE A 47 -14.266 -26.459 -22.021 1.00 0.00 C ATOM 772 CG PHE A 47 -13.913 -27.814 -21.516 1.00 0.00 C ATOM 773 CD1 PHE A 47 -12.654 -28.059 -21.007 1.00 0.00 C ATOM 774 CD2 PHE A 47 -14.825 -28.849 -21.582 1.00 0.00 C ATOM 775 CE1 PHE A 47 -12.308 -29.313 -20.563 1.00 0.00 C ATOM 776 CE2 PHE A 47 -14.487 -30.111 -21.143 1.00 0.00 C ATOM 777 CZ PHE A 47 -13.225 -30.347 -20.631 1.00 0.00 C ATOM 0 H PHE A 47 -11.758 -26.190 -22.816 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.311 -26.873 -24.129 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.842 -25.703 -21.360 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.348 -26.333 -21.996 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.933 -27.257 -20.957 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.812 -28.668 -21.981 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.321 -29.491 -20.161 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -15.207 -30.914 -21.199 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.956 -31.334 -20.286 1.00 0.00 H new ATOM 787 N VAL A 48 -15.218 -24.571 -24.365 1.00 0.00 N ATOM 788 CA VAL A 48 -15.630 -23.256 -24.822 1.00 0.00 C ATOM 789 C VAL A 48 -16.931 -22.837 -24.146 1.00 0.00 C ATOM 790 O VAL A 48 -17.834 -23.648 -23.970 1.00 0.00 O ATOM 791 CB VAL A 48 -15.814 -23.245 -26.354 1.00 0.00 C ATOM 792 CG1 VAL A 48 -16.423 -21.931 -26.826 1.00 0.00 C ATOM 793 CG2 VAL A 48 -14.485 -23.500 -27.047 1.00 0.00 C ATOM 0 H VAL A 48 -15.932 -25.292 -24.469 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.847 -22.547 -24.555 1.00 0.00 H new ATOM 0 HB VAL A 48 -16.505 -24.046 -26.618 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.541 -21.953 -27.909 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.398 -21.793 -26.358 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.767 -21.106 -26.549 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.630 -23.489 -28.127 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.774 -22.722 -26.769 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.097 -24.472 -26.743 1.00 0.00 H new ATOM 803 N ALA A 49 -17.022 -21.569 -23.770 1.00 0.00 N ATOM 804 CA ALA A 49 -18.219 -21.055 -23.118 1.00 0.00 C ATOM 805 C ALA A 49 -18.679 -19.765 -23.781 1.00 0.00 C ATOM 806 O ALA A 49 -17.912 -18.811 -23.888 1.00 0.00 O ATOM 807 CB ALA A 49 -17.960 -20.827 -21.636 1.00 0.00 C ATOM 0 H ALA A 49 -16.283 -20.879 -23.905 1.00 0.00 H new ATOM 0 HA ALA A 49 -19.012 -21.796 -23.222 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.864 -20.443 -21.164 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -17.678 -21.769 -21.167 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.152 -20.105 -21.515 1.00 0.00 H new ATOM 813 N ASP A 50 -19.932 -19.738 -24.227 1.00 0.00 N ATOM 814 CA ASP A 50 -20.476 -18.553 -24.879 1.00 0.00 C ATOM 815 C ASP A 50 -21.682 -18.022 -24.114 1.00 0.00 C ATOM 816 O ASP A 50 -22.422 -18.788 -23.498 1.00 0.00 O ATOM 817 CB ASP A 50 -20.878 -18.875 -26.319 1.00 0.00 C ATOM 818 CG ASP A 50 -19.684 -18.956 -27.250 1.00 0.00 C ATOM 819 OD1 ASP A 50 -18.837 -19.851 -27.050 1.00 0.00 O ATOM 820 OD2 ASP A 50 -19.597 -18.125 -28.177 1.00 0.00 O ATOM 0 H ASP A 50 -20.585 -20.518 -24.149 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.702 -17.786 -24.888 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -21.416 -19.823 -26.340 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -21.566 -18.110 -26.681 1.00 0.00 H new ATOM 825 N ALA A 51 -21.877 -16.710 -24.157 1.00 0.00 N ATOM 826 CA ALA A 51 -22.999 -16.093 -23.464 1.00 0.00 C ATOM 827 C ALA A 51 -23.545 -14.901 -24.241 1.00 0.00 C ATOM 828 O ALA A 51 -22.789 -14.131 -24.834 1.00 0.00 O ATOM 829 CB ALA A 51 -22.588 -15.665 -22.063 1.00 0.00 C ATOM 0 H ALA A 51 -21.277 -16.057 -24.661 1.00 0.00 H new ATOM 0 HA ALA A 51 -23.792 -16.837 -23.388 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -23.438 -15.206 -21.559 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -22.259 -16.537 -21.498 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.772 -14.945 -22.127 1.00 0.00 H new ATOM 835 N THR A 52 -24.862 -14.752 -24.222 1.00 0.00 N ATOM 836 CA THR A 52 -25.520 -13.650 -24.912 1.00 0.00 C ATOM 837 C THR A 52 -26.556 -13.015 -23.997 1.00 0.00 C ATOM 838 O THR A 52 -27.352 -13.719 -23.375 1.00 0.00 O ATOM 839 CB THR A 52 -26.185 -14.144 -26.198 1.00 0.00 C ATOM 840 OG1 THR A 52 -25.344 -15.058 -26.879 1.00 0.00 O ATOM 841 CG2 THR A 52 -26.527 -13.029 -27.163 1.00 0.00 C ATOM 0 H THR A 52 -25.498 -15.383 -23.735 1.00 0.00 H new ATOM 0 HA THR A 52 -24.771 -12.904 -25.176 1.00 0.00 H new ATOM 0 HB THR A 52 -27.111 -14.622 -25.878 1.00 0.00 H new ATOM 0 HG1 THR A 52 -25.788 -15.363 -27.698 1.00 0.00 H new ATOM 0 HG21 THR A 52 -26.995 -13.449 -28.053 1.00 0.00 H new ATOM 0 HG22 THR A 52 -27.216 -12.332 -26.685 1.00 0.00 H new ATOM 0 HG23 THR A 52 -25.616 -12.501 -27.447 1.00 0.00 H new ATOM 849 N ILE A 53 -26.545 -11.691 -23.898 1.00 0.00 N ATOM 850 CA ILE A 53 -27.489 -10.995 -23.037 1.00 0.00 C ATOM 851 C ILE A 53 -28.121 -9.804 -23.748 1.00 0.00 C ATOM 852 O ILE A 53 -27.438 -9.032 -24.421 1.00 0.00 O ATOM 853 CB ILE A 53 -26.808 -10.510 -21.742 1.00 0.00 C ATOM 854 CG1 ILE A 53 -25.956 -11.630 -21.140 1.00 0.00 C ATOM 855 CG2 ILE A 53 -27.850 -10.031 -20.742 1.00 0.00 C ATOM 856 CD1 ILE A 53 -24.918 -11.143 -20.155 1.00 0.00 C ATOM 0 H ILE A 53 -25.898 -11.083 -24.400 1.00 0.00 H new ATOM 0 HA ILE A 53 -28.272 -11.710 -22.784 1.00 0.00 H new ATOM 0 HB ILE A 53 -26.155 -9.671 -21.983 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -26.611 -12.344 -20.640 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -25.455 -12.167 -21.946 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -27.353 -9.692 -19.833 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -28.417 -9.207 -21.174 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -28.527 -10.851 -20.501 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -24.354 -11.993 -19.771 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -24.239 -10.452 -20.654 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -25.412 -10.632 -19.328 1.00 0.00 H new ATOM 868 N ASN A 54 -29.428 -9.655 -23.575 1.00 0.00 N ATOM 869 CA ASN A 54 -30.177 -8.555 -24.170 1.00 0.00 C ATOM 870 C ASN A 54 -30.437 -7.467 -23.139 1.00 0.00 C ATOM 871 O ASN A 54 -30.654 -7.750 -21.962 1.00 0.00 O ATOM 872 CB ASN A 54 -31.508 -9.063 -24.730 1.00 0.00 C ATOM 873 CG ASN A 54 -31.350 -10.334 -25.541 1.00 0.00 C ATOM 874 OD1 ASN A 54 -31.302 -10.298 -26.770 1.00 0.00 O ATOM 875 ND2 ASN A 54 -31.270 -11.469 -24.855 1.00 0.00 N ATOM 0 H ASN A 54 -29.998 -10.292 -23.019 1.00 0.00 H new ATOM 0 HA ASN A 54 -29.583 -8.136 -24.982 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -32.199 -9.245 -23.907 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -31.954 -8.290 -25.356 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -31.164 -12.356 -25.347 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -31.314 -11.453 -23.836 1.00 0.00 H new ATOM 882 N THR A 55 -30.409 -6.217 -23.592 1.00 0.00 N ATOM 883 CA THR A 55 -30.642 -5.082 -22.710 1.00 0.00 C ATOM 884 C THR A 55 -31.568 -4.064 -23.372 1.00 0.00 C ATOM 885 O THR A 55 -31.848 -4.152 -24.567 1.00 0.00 O ATOM 886 CB THR A 55 -29.316 -4.417 -22.335 1.00 0.00 C ATOM 887 OG1 THR A 55 -28.776 -3.715 -23.440 1.00 0.00 O ATOM 888 CG2 THR A 55 -28.268 -5.398 -21.855 1.00 0.00 C ATOM 0 H THR A 55 -30.227 -5.966 -24.564 1.00 0.00 H new ATOM 0 HA THR A 55 -31.122 -5.450 -21.803 1.00 0.00 H new ATOM 0 HB THR A 55 -29.555 -3.738 -21.516 1.00 0.00 H new ATOM 0 HG1 THR A 55 -29.268 -3.955 -24.253 1.00 0.00 H new ATOM 0 HG21 THR A 55 -27.353 -4.860 -21.606 1.00 0.00 H new ATOM 0 HG22 THR A 55 -28.635 -5.919 -20.971 1.00 0.00 H new ATOM 0 HG23 THR A 55 -28.060 -6.122 -22.642 1.00 0.00 H new ATOM 896 N PRO A 56 -32.061 -3.081 -22.600 1.00 0.00 N ATOM 897 CA PRO A 56 -32.962 -2.044 -23.112 1.00 0.00 C ATOM 898 C PRO A 56 -32.252 -1.042 -24.020 1.00 0.00 C ATOM 899 O PRO A 56 -32.901 -0.253 -24.707 1.00 0.00 O ATOM 900 CB PRO A 56 -33.472 -1.339 -21.843 1.00 0.00 C ATOM 901 CG PRO A 56 -33.023 -2.187 -20.698 1.00 0.00 C ATOM 902 CD PRO A 56 -31.790 -2.898 -21.170 1.00 0.00 C ATOM 0 HA PRO A 56 -33.754 -2.475 -23.725 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -33.065 -0.331 -21.766 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -34.558 -1.245 -21.858 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -32.810 -1.577 -19.820 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -33.798 -2.898 -20.411 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -30.890 -2.307 -20.999 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -31.649 -3.850 -20.658 1.00 0.00 H new ATOM 910 N ASN A 57 -30.920 -1.064 -24.016 1.00 0.00 N ATOM 911 CA ASN A 57 -30.146 -0.138 -24.838 1.00 0.00 C ATOM 912 C ASN A 57 -29.077 -0.857 -25.660 1.00 0.00 C ATOM 913 O ASN A 57 -28.107 -0.237 -26.096 1.00 0.00 O ATOM 914 CB ASN A 57 -29.489 0.924 -23.956 1.00 0.00 C ATOM 915 CG ASN A 57 -30.496 1.901 -23.380 1.00 0.00 C ATOM 916 OD1 ASN A 57 -31.653 1.553 -23.148 1.00 0.00 O ATOM 917 ND2 ASN A 57 -30.057 3.133 -23.149 1.00 0.00 N ATOM 0 H ASN A 57 -30.359 -1.707 -23.458 1.00 0.00 H new ATOM 0 HA ASN A 57 -30.839 0.336 -25.534 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -28.954 0.436 -23.142 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -28.749 1.471 -24.541 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -30.688 3.835 -22.764 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -29.089 3.377 -23.357 1.00 0.00 H new ATOM 924 N GLY A 58 -29.253 -2.157 -25.879 1.00 0.00 N ATOM 925 CA GLY A 58 -28.279 -2.903 -26.659 1.00 0.00 C ATOM 926 C GLY A 58 -28.184 -4.363 -26.263 1.00 0.00 C ATOM 927 O GLY A 58 -29.058 -4.891 -25.577 1.00 0.00 O ATOM 0 H GLY A 58 -30.043 -2.703 -25.535 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -28.542 -2.837 -27.715 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -27.300 -2.438 -26.545 1.00 0.00 H new ATOM 931 N VAL A 59 -27.113 -5.013 -26.708 1.00 0.00 N ATOM 932 CA VAL A 59 -26.886 -6.422 -26.411 1.00 0.00 C ATOM 933 C VAL A 59 -25.406 -6.693 -26.152 1.00 0.00 C ATOM 934 O VAL A 59 -24.538 -6.054 -26.744 1.00 0.00 O ATOM 935 CB VAL A 59 -27.368 -7.323 -27.566 1.00 0.00 C ATOM 936 CG1 VAL A 59 -27.385 -8.781 -27.138 1.00 0.00 C ATOM 937 CG2 VAL A 59 -28.743 -6.887 -28.047 1.00 0.00 C ATOM 0 H VAL A 59 -26.385 -4.583 -27.279 1.00 0.00 H new ATOM 0 HA VAL A 59 -27.460 -6.656 -25.514 1.00 0.00 H new ATOM 0 HB VAL A 59 -26.668 -7.220 -28.395 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -27.728 -9.400 -27.967 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -26.380 -9.087 -26.849 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -28.060 -8.904 -26.291 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -29.066 -7.535 -28.862 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -29.455 -6.956 -27.225 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -28.695 -5.857 -28.400 1.00 0.00 H new ATOM 947 N LEU A 60 -25.125 -7.639 -25.260 1.00 0.00 N ATOM 948 CA LEU A 60 -23.747 -7.985 -24.921 1.00 0.00 C ATOM 949 C LEU A 60 -23.445 -9.444 -25.252 1.00 0.00 C ATOM 950 O LEU A 60 -24.319 -10.306 -25.162 1.00 0.00 O ATOM 951 CB LEU A 60 -23.484 -7.723 -23.437 1.00 0.00 C ATOM 952 CG LEU A 60 -24.101 -6.435 -22.887 1.00 0.00 C ATOM 953 CD1 LEU A 60 -24.362 -6.564 -21.395 1.00 0.00 C ATOM 954 CD2 LEU A 60 -23.193 -5.248 -23.171 1.00 0.00 C ATOM 0 H LEU A 60 -25.831 -8.179 -24.760 1.00 0.00 H new ATOM 0 HA LEU A 60 -23.088 -7.356 -25.520 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -23.867 -8.566 -22.862 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -22.407 -7.690 -23.275 1.00 0.00 H new ATOM 0 HG LEU A 60 -25.054 -6.267 -23.388 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -24.801 -5.639 -21.021 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -25.050 -7.390 -21.216 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -23.423 -6.756 -20.877 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -23.646 -4.340 -22.773 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -22.225 -5.408 -22.696 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -23.056 -5.144 -24.247 1.00 0.00 H new ATOM 966 N VAL A 61 -22.198 -9.710 -25.633 1.00 0.00 N ATOM 967 CA VAL A 61 -21.771 -11.062 -25.977 1.00 0.00 C ATOM 968 C VAL A 61 -20.357 -11.337 -25.466 1.00 0.00 C ATOM 969 O VAL A 61 -19.521 -10.436 -25.407 1.00 0.00 O ATOM 970 CB VAL A 61 -21.814 -11.294 -27.500 1.00 0.00 C ATOM 971 CG1 VAL A 61 -20.889 -10.324 -28.220 1.00 0.00 C ATOM 972 CG2 VAL A 61 -21.454 -12.736 -27.833 1.00 0.00 C ATOM 0 H VAL A 61 -21.465 -9.005 -25.711 1.00 0.00 H new ATOM 0 HA VAL A 61 -22.467 -11.749 -25.495 1.00 0.00 H new ATOM 0 HB VAL A 61 -22.831 -11.109 -27.846 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -20.935 -10.506 -29.294 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -21.201 -9.301 -28.012 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.867 -10.469 -27.871 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -21.490 -12.880 -28.913 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.449 -12.953 -27.471 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -22.165 -13.409 -27.353 1.00 0.00 H new ATOM 982 N ALA A 62 -20.099 -12.589 -25.098 1.00 0.00 N ATOM 983 CA ALA A 62 -18.789 -12.986 -24.591 1.00 0.00 C ATOM 984 C ALA A 62 -18.537 -14.474 -24.810 1.00 0.00 C ATOM 985 O ALA A 62 -19.472 -15.268 -24.917 1.00 0.00 O ATOM 986 CB ALA A 62 -18.663 -12.636 -23.116 1.00 0.00 C ATOM 0 H ALA A 62 -20.781 -13.347 -25.142 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.032 -12.434 -25.149 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.681 -12.938 -22.753 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -18.783 -11.560 -22.986 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -19.435 -13.158 -22.551 1.00 0.00 H new ATOM 992 N SER A 63 -17.260 -14.838 -24.891 1.00 0.00 N ATOM 993 CA SER A 63 -16.870 -16.228 -25.112 1.00 0.00 C ATOM 994 C SER A 63 -15.563 -16.569 -24.399 1.00 0.00 C ATOM 995 O SER A 63 -14.724 -15.699 -24.162 1.00 0.00 O ATOM 996 CB SER A 63 -16.728 -16.500 -26.610 1.00 0.00 C ATOM 997 OG SER A 63 -16.120 -15.404 -27.273 1.00 0.00 O ATOM 0 H SER A 63 -16.477 -14.190 -24.807 1.00 0.00 H new ATOM 0 HA SER A 63 -17.654 -16.861 -24.696 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.131 -17.399 -26.764 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.710 -16.691 -27.043 1.00 0.00 H new ATOM 0 HG SER A 63 -16.039 -15.604 -28.229 1.00 0.00 H new ATOM 1003 N GLY A 64 -15.393 -17.851 -24.076 1.00 0.00 N ATOM 1004 CA GLY A 64 -14.186 -18.312 -23.410 1.00 0.00 C ATOM 1005 C GLY A 64 -13.827 -19.728 -23.826 1.00 0.00 C ATOM 1006 O GLY A 64 -14.500 -20.682 -23.439 1.00 0.00 O ATOM 0 H GLY A 64 -16.077 -18.583 -24.266 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.360 -17.642 -23.647 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.328 -18.274 -22.330 1.00 0.00 H new ATOM 1010 N LYS A 65 -12.779 -19.864 -24.635 1.00 0.00 N ATOM 1011 CA LYS A 65 -12.351 -21.173 -25.128 1.00 0.00 C ATOM 1012 C LYS A 65 -11.062 -21.650 -24.466 1.00 0.00 C ATOM 1013 O LYS A 65 -10.167 -22.168 -25.135 1.00 0.00 O ATOM 1014 CB LYS A 65 -12.164 -21.125 -26.646 1.00 0.00 C ATOM 1015 CG LYS A 65 -13.286 -20.404 -27.376 1.00 0.00 C ATOM 1016 CD LYS A 65 -12.868 -20.002 -28.782 1.00 0.00 C ATOM 1017 CE LYS A 65 -13.444 -20.943 -29.826 1.00 0.00 C ATOM 1018 NZ LYS A 65 -13.272 -20.412 -31.207 1.00 0.00 N ATOM 0 H LYS A 65 -12.210 -19.084 -24.964 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.135 -21.886 -24.871 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.219 -20.631 -26.872 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.090 -22.144 -27.027 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.163 -21.050 -27.427 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.576 -19.516 -26.814 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.202 -18.984 -28.985 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.780 -20.001 -28.853 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.957 -21.915 -29.747 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.504 -21.101 -29.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.678 -21.083 -31.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.758 -19.497 -31.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.259 -20.285 -31.407 1.00 0.00 H new ATOM 1032 N HIS A 66 -10.979 -21.501 -23.151 1.00 0.00 N ATOM 1033 CA HIS A 66 -9.801 -21.950 -22.415 1.00 0.00 C ATOM 1034 C HIS A 66 -9.827 -23.467 -22.249 1.00 0.00 C ATOM 1035 O HIS A 66 -10.894 -24.089 -22.282 1.00 0.00 O ATOM 1036 CB HIS A 66 -9.722 -21.273 -21.046 1.00 0.00 C ATOM 1037 CG HIS A 66 -8.346 -21.293 -20.454 1.00 0.00 C ATOM 1038 ND1 HIS A 66 -8.002 -22.051 -19.353 1.00 0.00 N ATOM 1039 CD2 HIS A 66 -7.220 -20.634 -20.819 1.00 0.00 C ATOM 1040 CE1 HIS A 66 -6.727 -21.857 -19.069 1.00 0.00 C ATOM 1041 NE2 HIS A 66 -6.230 -21.003 -19.944 1.00 0.00 N ATOM 0 H HIS A 66 -11.706 -21.077 -22.574 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.916 -21.671 -22.987 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.055 -20.239 -21.140 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.411 -21.769 -20.363 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.120 -19.946 -21.645 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.183 -22.319 -18.258 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.266 -20.671 -19.966 1.00 0.00 H new ATOM 1050 N GLU A 67 -8.656 -24.064 -22.068 1.00 0.00 N ATOM 1051 CA GLU A 67 -8.558 -25.508 -21.894 1.00 0.00 C ATOM 1052 C GLU A 67 -9.312 -25.966 -20.648 1.00 0.00 C ATOM 1053 O GLU A 67 -9.754 -27.111 -20.564 1.00 0.00 O ATOM 1054 CB GLU A 67 -7.091 -25.931 -21.798 1.00 0.00 C ATOM 1055 CG GLU A 67 -6.225 -25.376 -22.917 1.00 0.00 C ATOM 1056 CD GLU A 67 -5.894 -26.417 -23.969 1.00 0.00 C ATOM 1057 OE1 GLU A 67 -4.978 -27.233 -23.730 1.00 0.00 O ATOM 1058 OE2 GLU A 67 -6.551 -26.418 -25.032 1.00 0.00 O ATOM 0 H GLU A 67 -7.763 -23.572 -22.038 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.013 -25.982 -22.763 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.688 -25.602 -20.840 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.033 -27.019 -21.811 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.740 -24.539 -23.389 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.300 -24.984 -22.495 1.00 0.00 H new ATOM 1065 N ASP A 68 -9.446 -25.066 -19.679 1.00 0.00 N ATOM 1066 CA ASP A 68 -10.137 -25.380 -18.433 1.00 0.00 C ATOM 1067 C ASP A 68 -11.580 -24.886 -18.458 1.00 0.00 C ATOM 1068 O ASP A 68 -11.842 -23.701 -18.671 1.00 0.00 O ATOM 1069 CB ASP A 68 -9.396 -24.764 -17.246 1.00 0.00 C ATOM 1070 CG ASP A 68 -9.945 -25.234 -15.913 1.00 0.00 C ATOM 1071 OD1 ASP A 68 -9.825 -26.441 -15.614 1.00 0.00 O ATOM 1072 OD2 ASP A 68 -10.493 -24.395 -15.169 1.00 0.00 O ATOM 0 H ASP A 68 -9.085 -24.113 -19.732 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.151 -26.465 -18.325 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.338 -25.019 -17.310 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.466 -23.678 -17.302 1.00 0.00 H new ATOM 1077 N MET A 69 -12.511 -25.809 -18.236 1.00 0.00 N ATOM 1078 CA MET A 69 -13.938 -25.492 -18.226 1.00 0.00 C ATOM 1079 C MET A 69 -14.239 -24.256 -17.378 1.00 0.00 C ATOM 1080 O MET A 69 -14.978 -23.365 -17.799 1.00 0.00 O ATOM 1081 CB MET A 69 -14.730 -26.686 -17.692 1.00 0.00 C ATOM 1082 CG MET A 69 -16.234 -26.459 -17.665 1.00 0.00 C ATOM 1083 SD MET A 69 -17.161 -27.973 -17.357 1.00 0.00 S ATOM 1084 CE MET A 69 -18.150 -27.485 -15.947 1.00 0.00 C ATOM 0 H MET A 69 -12.301 -26.791 -18.059 1.00 0.00 H new ATOM 0 HA MET A 69 -14.237 -25.276 -19.252 1.00 0.00 H new ATOM 0 HB2 MET A 69 -14.514 -27.559 -18.308 1.00 0.00 H new ATOM 0 HB3 MET A 69 -14.388 -26.916 -16.683 1.00 0.00 H new ATOM 0 HG2 MET A 69 -16.473 -25.728 -16.893 1.00 0.00 H new ATOM 0 HG3 MET A 69 -16.550 -26.032 -18.617 1.00 0.00 H new ATOM 0 HE1 MET A 69 -18.602 -28.369 -15.496 1.00 0.00 H new ATOM 0 HE2 MET A 69 -17.516 -26.987 -15.213 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.935 -26.802 -16.272 1.00 0.00 H new ATOM 1094 N TYR A 70 -13.677 -24.222 -16.173 1.00 0.00 N ATOM 1095 CA TYR A 70 -13.896 -23.112 -15.250 1.00 0.00 C ATOM 1096 C TYR A 70 -13.287 -21.813 -15.769 1.00 0.00 C ATOM 1097 O TYR A 70 -13.871 -20.742 -15.611 1.00 0.00 O ATOM 1098 CB TYR A 70 -13.312 -23.447 -13.877 1.00 0.00 C ATOM 1099 CG TYR A 70 -14.177 -24.378 -13.062 1.00 0.00 C ATOM 1100 CD1 TYR A 70 -14.023 -25.756 -13.150 1.00 0.00 C ATOM 1101 CD2 TYR A 70 -15.149 -23.881 -12.202 1.00 0.00 C ATOM 1102 CE1 TYR A 70 -14.813 -26.612 -12.406 1.00 0.00 C ATOM 1103 CE2 TYR A 70 -15.944 -24.731 -11.454 1.00 0.00 C ATOM 1104 CZ TYR A 70 -15.772 -26.095 -11.561 1.00 0.00 C ATOM 1105 OH TYR A 70 -16.561 -26.943 -10.818 1.00 0.00 O ATOM 0 H TYR A 70 -13.064 -24.953 -15.812 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.972 -22.964 -15.164 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.330 -23.901 -14.010 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.163 -22.522 -13.320 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -13.273 -26.165 -13.811 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -15.286 -22.813 -12.116 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.680 -27.681 -12.486 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.695 -24.329 -10.790 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.184 -26.417 -10.274 1.00 0.00 H new ATOM 1115 N THR A 71 -12.114 -21.909 -16.384 1.00 0.00 N ATOM 1116 CA THR A 71 -11.440 -20.729 -16.914 1.00 0.00 C ATOM 1117 C THR A 71 -12.263 -20.091 -18.027 1.00 0.00 C ATOM 1118 O THR A 71 -12.390 -18.869 -18.093 1.00 0.00 O ATOM 1119 CB THR A 71 -10.051 -21.096 -17.435 1.00 0.00 C ATOM 1120 OG1 THR A 71 -9.268 -21.677 -16.407 1.00 0.00 O ATOM 1121 CG2 THR A 71 -9.285 -19.910 -17.981 1.00 0.00 C ATOM 0 H THR A 71 -11.612 -22.785 -16.528 1.00 0.00 H new ATOM 0 HA THR A 71 -11.333 -20.007 -16.104 1.00 0.00 H new ATOM 0 HB THR A 71 -10.223 -21.802 -18.247 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.319 -21.615 -16.644 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.308 -20.239 -18.334 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.840 -19.468 -18.809 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.155 -19.167 -17.194 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.826 -20.924 -18.896 1.00 0.00 N ATOM 1130 CA ALA A 72 -13.641 -20.433 -19.998 1.00 0.00 C ATOM 1131 C ALA A 72 -14.858 -19.682 -19.470 1.00 0.00 C ATOM 1132 O ALA A 72 -15.147 -18.567 -19.904 1.00 0.00 O ATOM 1133 CB ALA A 72 -14.073 -21.585 -20.895 1.00 0.00 C ATOM 0 H ALA A 72 -12.733 -21.939 -18.858 1.00 0.00 H new ATOM 0 HA ALA A 72 -13.040 -19.742 -20.589 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.681 -21.200 -21.714 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.191 -22.081 -21.300 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.656 -22.299 -20.314 1.00 0.00 H new ATOM 1139 N ILE A 73 -15.564 -20.296 -18.527 1.00 0.00 N ATOM 1140 CA ILE A 73 -16.746 -19.681 -17.936 1.00 0.00 C ATOM 1141 C ILE A 73 -16.390 -18.357 -17.266 1.00 0.00 C ATOM 1142 O ILE A 73 -17.061 -17.344 -17.471 1.00 0.00 O ATOM 1143 CB ILE A 73 -17.400 -20.615 -16.897 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -17.785 -21.946 -17.547 1.00 0.00 C ATOM 1145 CG2 ILE A 73 -18.619 -19.952 -16.273 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -17.810 -23.106 -16.576 1.00 0.00 C ATOM 0 H ILE A 73 -15.338 -21.219 -18.156 1.00 0.00 H new ATOM 0 HA ILE A 73 -17.455 -19.498 -18.744 1.00 0.00 H new ATOM 0 HB ILE A 73 -16.677 -20.812 -16.106 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -18.768 -21.846 -18.007 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -17.080 -22.168 -18.348 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -19.066 -20.627 -15.543 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -18.318 -19.029 -15.777 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -19.348 -19.725 -17.051 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.090 -24.017 -17.105 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -16.821 -23.232 -16.135 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.536 -22.905 -15.788 1.00 0.00 H new ATOM 1158 N ASN A 74 -15.327 -18.371 -16.469 1.00 0.00 N ATOM 1159 CA ASN A 74 -14.878 -17.172 -15.772 1.00 0.00 C ATOM 1160 C ASN A 74 -14.445 -16.102 -16.769 1.00 0.00 C ATOM 1161 O ASN A 74 -14.689 -14.914 -16.564 1.00 0.00 O ATOM 1162 CB ASN A 74 -13.722 -17.508 -14.825 1.00 0.00 C ATOM 1163 CG ASN A 74 -14.168 -17.598 -13.379 1.00 0.00 C ATOM 1164 OD1 ASN A 74 -15.253 -17.138 -13.022 1.00 0.00 O ATOM 1165 ND2 ASN A 74 -13.331 -18.190 -12.536 1.00 0.00 N ATOM 0 H ASN A 74 -14.760 -19.200 -16.290 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.711 -16.784 -15.186 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.274 -18.456 -15.124 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.947 -16.747 -14.917 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.577 -18.278 -11.550 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.442 -18.557 -12.874 1.00 0.00 H new ATOM 1172 N GLU A 75 -13.807 -16.533 -17.853 1.00 0.00 N ATOM 1173 CA GLU A 75 -13.350 -15.611 -18.885 1.00 0.00 C ATOM 1174 C GLU A 75 -14.537 -14.948 -19.575 1.00 0.00 C ATOM 1175 O GLU A 75 -14.538 -13.738 -19.799 1.00 0.00 O ATOM 1176 CB GLU A 75 -12.484 -16.342 -19.913 1.00 0.00 C ATOM 1177 CG GLU A 75 -11.077 -16.640 -19.422 1.00 0.00 C ATOM 1178 CD GLU A 75 -10.108 -15.511 -19.712 1.00 0.00 C ATOM 1179 OE1 GLU A 75 -10.115 -14.514 -18.960 1.00 0.00 O ATOM 1180 OE2 GLU A 75 -9.341 -15.624 -20.692 1.00 0.00 O ATOM 0 H GLU A 75 -13.595 -17.513 -18.039 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.748 -14.838 -18.408 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.971 -17.279 -20.185 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.423 -15.739 -20.819 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.102 -16.825 -18.348 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.717 -17.554 -19.895 1.00 0.00 H new ATOM 1187 N LEU A 76 -15.553 -15.742 -19.898 1.00 0.00 N ATOM 1188 CA LEU A 76 -16.746 -15.218 -20.547 1.00 0.00 C ATOM 1189 C LEU A 76 -17.333 -14.070 -19.728 1.00 0.00 C ATOM 1190 O LEU A 76 -17.484 -12.954 -20.227 1.00 0.00 O ATOM 1191 CB LEU A 76 -17.782 -16.331 -20.742 1.00 0.00 C ATOM 1192 CG LEU A 76 -19.199 -15.855 -21.077 1.00 0.00 C ATOM 1193 CD1 LEU A 76 -19.637 -16.391 -22.429 1.00 0.00 C ATOM 1194 CD2 LEU A 76 -20.179 -16.280 -19.994 1.00 0.00 C ATOM 0 H LEU A 76 -15.573 -16.746 -19.721 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.470 -14.834 -21.529 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -17.439 -16.988 -21.541 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -17.823 -16.930 -19.832 1.00 0.00 H new ATOM 0 HG LEU A 76 -19.190 -14.766 -21.124 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -20.646 -16.042 -22.649 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -18.954 -16.035 -23.200 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -19.626 -17.481 -22.409 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -21.179 -15.932 -20.252 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -20.183 -17.367 -19.913 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -19.878 -15.846 -19.040 1.00 0.00 H new ATOM 1206 N ILE A 77 -17.645 -14.342 -18.463 1.00 0.00 N ATOM 1207 CA ILE A 77 -18.193 -13.314 -17.584 1.00 0.00 C ATOM 1208 C ILE A 77 -17.234 -12.131 -17.498 1.00 0.00 C ATOM 1209 O ILE A 77 -17.659 -10.987 -17.340 1.00 0.00 O ATOM 1210 CB ILE A 77 -18.476 -13.853 -16.166 1.00 0.00 C ATOM 1211 CG1 ILE A 77 -19.359 -15.104 -16.232 1.00 0.00 C ATOM 1212 CG2 ILE A 77 -19.125 -12.778 -15.307 1.00 0.00 C ATOM 1213 CD1 ILE A 77 -20.806 -14.814 -16.571 1.00 0.00 C ATOM 0 H ILE A 77 -17.529 -15.257 -18.027 1.00 0.00 H new ATOM 0 HA ILE A 77 -19.141 -12.993 -18.015 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.528 -14.130 -15.706 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -18.951 -15.786 -16.977 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.317 -15.618 -15.272 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.318 -13.176 -14.311 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -18.457 -11.920 -15.232 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -20.066 -12.468 -15.762 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -21.367 -15.748 -16.599 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -21.233 -14.157 -15.813 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -20.861 -14.328 -17.545 1.00 0.00 H new ATOM 1225 N ASN A 78 -15.941 -12.408 -17.633 1.00 0.00 N ATOM 1226 CA ASN A 78 -14.932 -11.360 -17.601 1.00 0.00 C ATOM 1227 C ASN A 78 -15.214 -10.341 -18.701 1.00 0.00 C ATOM 1228 O ASN A 78 -15.019 -9.138 -18.528 1.00 0.00 O ATOM 1229 CB ASN A 78 -13.534 -11.976 -17.767 1.00 0.00 C ATOM 1230 CG ASN A 78 -12.760 -11.424 -18.954 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -12.495 -10.224 -19.034 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -12.394 -12.301 -19.881 1.00 0.00 N ATOM 0 H ASN A 78 -15.569 -13.349 -17.765 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.968 -10.848 -16.639 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.960 -11.802 -16.857 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.633 -13.056 -17.880 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.872 -11.989 -20.700 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.635 -13.286 -19.774 1.00 0.00 H new ATOM 1239 N LYS A 79 -15.691 -10.854 -19.827 1.00 0.00 N ATOM 1240 CA LYS A 79 -16.031 -10.029 -20.981 1.00 0.00 C ATOM 1241 C LYS A 79 -17.351 -9.311 -20.748 1.00 0.00 C ATOM 1242 O LYS A 79 -17.546 -8.194 -21.228 1.00 0.00 O ATOM 1243 CB LYS A 79 -16.096 -10.869 -22.255 1.00 0.00 C ATOM 1244 CG LYS A 79 -14.737 -11.172 -22.877 1.00 0.00 C ATOM 1245 CD LYS A 79 -13.683 -10.125 -22.537 1.00 0.00 C ATOM 1246 CE LYS A 79 -12.461 -10.254 -23.432 1.00 0.00 C ATOM 1247 NZ LYS A 79 -11.478 -11.234 -22.894 1.00 0.00 N ATOM 0 H LYS A 79 -15.853 -11.851 -19.967 1.00 0.00 H new ATOM 0 HA LYS A 79 -15.246 -9.284 -21.109 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -16.598 -11.810 -22.030 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.710 -10.348 -22.989 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.396 -12.149 -22.534 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.844 -11.234 -23.960 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.111 -9.128 -22.645 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.385 -10.233 -21.494 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.773 -10.564 -24.429 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.983 -9.280 -23.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.755 -11.432 -23.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.022 -10.839 -22.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.969 -12.116 -22.644 1.00 0.00 H new ATOM 1261 N LEU A 80 -18.241 -9.923 -19.973 1.00 0.00 N ATOM 1262 CA LEU A 80 -19.509 -9.280 -19.654 1.00 0.00 C ATOM 1263 C LEU A 80 -19.197 -7.980 -18.929 1.00 0.00 C ATOM 1264 O LEU A 80 -19.670 -6.904 -19.295 1.00 0.00 O ATOM 1265 CB LEU A 80 -20.368 -10.188 -18.769 1.00 0.00 C ATOM 1266 CG LEU A 80 -20.958 -11.413 -19.473 1.00 0.00 C ATOM 1267 CD1 LEU A 80 -21.909 -12.154 -18.545 1.00 0.00 C ATOM 1268 CD2 LEU A 80 -21.674 -11.002 -20.751 1.00 0.00 C ATOM 0 H LEU A 80 -18.111 -10.847 -19.561 1.00 0.00 H new ATOM 0 HA LEU A 80 -20.071 -9.084 -20.567 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -19.763 -10.528 -17.929 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -21.185 -9.598 -18.355 1.00 0.00 H new ATOM 0 HG LEU A 80 -20.141 -12.084 -19.737 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -22.319 -13.022 -19.062 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -21.369 -12.482 -17.657 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -22.721 -11.490 -18.251 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -22.087 -11.886 -21.237 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -22.481 -10.311 -20.510 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -20.968 -10.515 -21.423 1.00 0.00 H new ATOM 1280 N GLU A 81 -18.341 -8.110 -17.922 1.00 0.00 N ATOM 1281 CA GLU A 81 -17.864 -6.990 -17.136 1.00 0.00 C ATOM 1282 C GLU A 81 -17.112 -6.010 -18.025 1.00 0.00 C ATOM 1283 O GLU A 81 -17.285 -4.797 -17.916 1.00 0.00 O ATOM 1284 CB GLU A 81 -16.941 -7.517 -16.045 1.00 0.00 C ATOM 1285 CG GLU A 81 -17.040 -6.759 -14.738 1.00 0.00 C ATOM 1286 CD GLU A 81 -16.871 -7.656 -13.527 1.00 0.00 C ATOM 1287 OE1 GLU A 81 -16.308 -8.759 -13.679 1.00 0.00 O ATOM 1288 OE2 GLU A 81 -17.304 -7.254 -12.426 1.00 0.00 O ATOM 0 H GLU A 81 -17.957 -9.009 -17.629 1.00 0.00 H new ATOM 0 HA GLU A 81 -18.709 -6.469 -16.686 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -17.172 -8.567 -15.863 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.912 -7.474 -16.401 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -16.279 -5.979 -14.716 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -18.008 -6.261 -14.684 1.00 0.00 H new ATOM 1295 N ARG A 82 -16.279 -6.548 -18.903 1.00 0.00 N ATOM 1296 CA ARG A 82 -15.499 -5.719 -19.814 1.00 0.00 C ATOM 1297 C ARG A 82 -16.419 -4.928 -20.739 1.00 0.00 C ATOM 1298 O ARG A 82 -16.089 -3.818 -21.157 1.00 0.00 O ATOM 1299 CB ARG A 82 -14.542 -6.586 -20.636 1.00 0.00 C ATOM 1300 CG ARG A 82 -13.097 -6.114 -20.582 1.00 0.00 C ATOM 1301 CD ARG A 82 -12.636 -5.567 -21.924 1.00 0.00 C ATOM 1302 NE ARG A 82 -12.950 -6.478 -23.023 1.00 0.00 N ATOM 1303 CZ ARG A 82 -12.992 -6.111 -24.301 1.00 0.00 C ATOM 1304 NH1 ARG A 82 -12.741 -4.854 -24.647 1.00 0.00 N ATOM 1305 NH2 ARG A 82 -13.285 -7.002 -25.238 1.00 0.00 N ATOM 0 H ARG A 82 -16.125 -7.551 -19.005 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.914 -5.015 -19.222 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.594 -7.613 -20.275 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.874 -6.596 -21.674 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.994 -5.342 -19.819 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -12.454 -6.943 -20.286 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.111 -4.603 -22.105 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -11.561 -5.392 -21.894 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.149 -7.453 -22.797 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.514 -4.164 -23.931 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.775 -4.579 -25.629 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.478 -7.969 -24.979 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -13.317 -6.720 -26.218 1.00 0.00 H new ATOM 1319 N GLN A 83 -17.578 -5.501 -21.046 1.00 0.00 N ATOM 1320 CA GLN A 83 -18.548 -4.843 -21.911 1.00 0.00 C ATOM 1321 C GLN A 83 -19.283 -3.745 -21.150 1.00 0.00 C ATOM 1322 O GLN A 83 -19.536 -2.666 -21.682 1.00 0.00 O ATOM 1323 CB GLN A 83 -19.550 -5.860 -22.461 1.00 0.00 C ATOM 1324 CG GLN A 83 -19.026 -6.649 -23.648 1.00 0.00 C ATOM 1325 CD GLN A 83 -20.002 -7.710 -24.120 1.00 0.00 C ATOM 1326 OE1 GLN A 83 -20.724 -7.514 -25.097 1.00 0.00 O ATOM 1327 NE2 GLN A 83 -20.028 -8.841 -23.425 1.00 0.00 N ATOM 0 H GLN A 83 -17.867 -6.419 -20.708 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.012 -4.392 -22.746 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -19.824 -6.554 -21.666 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -20.460 -5.338 -22.756 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -18.814 -5.965 -24.469 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -18.083 -7.123 -23.377 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -19.411 -8.960 -22.621 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -20.665 -9.591 -23.695 1.00 0.00 H new ATOM 1336 N LEU A 84 -19.617 -4.031 -19.894 1.00 0.00 N ATOM 1337 CA LEU A 84 -20.316 -3.071 -19.051 1.00 0.00 C ATOM 1338 C LEU A 84 -19.439 -1.849 -18.785 1.00 0.00 C ATOM 1339 O LEU A 84 -19.940 -0.738 -18.613 1.00 0.00 O ATOM 1340 CB LEU A 84 -20.717 -3.725 -17.725 1.00 0.00 C ATOM 1341 CG LEU A 84 -22.166 -4.219 -17.654 1.00 0.00 C ATOM 1342 CD1 LEU A 84 -22.399 -5.016 -16.379 1.00 0.00 C ATOM 1343 CD2 LEU A 84 -23.134 -3.045 -17.735 1.00 0.00 C ATOM 0 H LEU A 84 -19.414 -4.921 -19.439 1.00 0.00 H new ATOM 0 HA LEU A 84 -21.215 -2.746 -19.574 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -20.053 -4.569 -17.539 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -20.555 -3.008 -16.921 1.00 0.00 H new ATOM 0 HG LEU A 84 -22.347 -4.875 -18.505 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -23.434 -5.358 -16.347 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -21.732 -5.878 -16.361 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -22.199 -4.384 -15.513 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -24.158 -3.414 -17.683 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -22.951 -2.364 -16.904 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -22.986 -2.516 -18.676 1.00 0.00 H new ATOM 1355 N ASN A 85 -18.126 -2.067 -18.753 1.00 0.00 N ATOM 1356 CA ASN A 85 -17.175 -0.991 -18.510 1.00 0.00 C ATOM 1357 C ASN A 85 -17.225 0.031 -19.637 1.00 0.00 C ATOM 1358 O ASN A 85 -17.389 1.227 -19.400 1.00 0.00 O ATOM 1359 CB ASN A 85 -15.757 -1.552 -18.375 1.00 0.00 C ATOM 1360 CG ASN A 85 -14.787 -0.537 -17.803 1.00 0.00 C ATOM 1361 OD1 ASN A 85 -14.006 0.073 -18.533 1.00 0.00 O ATOM 1362 ND2 ASN A 85 -14.830 -0.352 -16.488 1.00 0.00 N ATOM 0 H ASN A 85 -17.698 -2.982 -18.893 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.449 -0.497 -17.578 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -15.777 -2.433 -17.734 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -15.403 -1.878 -19.353 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -14.200 0.317 -16.046 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -15.493 -0.879 -15.920 1.00 0.00 H new ATOM 1369 N LYS A 86 -17.090 -0.452 -20.867 1.00 0.00 N ATOM 1370 CA LYS A 86 -17.130 0.418 -22.033 1.00 0.00 C ATOM 1371 C LYS A 86 -18.548 0.928 -22.270 1.00 0.00 C ATOM 1372 O LYS A 86 -18.752 1.950 -22.927 1.00 0.00 O ATOM 1373 CB LYS A 86 -16.626 -0.327 -23.271 1.00 0.00 C ATOM 1374 CG LYS A 86 -15.168 -0.748 -23.176 1.00 0.00 C ATOM 1375 CD LYS A 86 -14.292 0.044 -24.134 1.00 0.00 C ATOM 1376 CE LYS A 86 -12.950 -0.636 -24.356 1.00 0.00 C ATOM 1377 NZ LYS A 86 -11.868 -0.004 -23.552 1.00 0.00 N ATOM 0 H LYS A 86 -16.952 -1.440 -21.081 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.478 1.272 -21.847 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.242 -1.213 -23.428 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.755 0.310 -24.146 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.813 -0.605 -22.155 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -15.081 -1.812 -23.398 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.806 0.157 -25.089 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.132 1.046 -23.737 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.029 -1.691 -24.092 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.690 -0.590 -25.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.970 -0.496 -23.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.775 0.996 -23.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.103 -0.070 -22.541 1.00 0.00 H new