USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 608 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 10 SER OG : rot 151:sc= 1.26 USER MOD Set 1.2: A 40 ASN : amide:sc= 0.868 K(o=2.1,f=-2.2) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0693) USER MOD Single : A 9 THR OG1 : rot -150:sc= -0.075 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0.194 X(o=0.19,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.31 K(o=-2.3,f=-4.2!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -178:sc= -0.0255 (180deg=-0.0338) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -158:sc= -0.106 (180deg=-0.632) USER MOD Single : A 58 THR OG1 : rot -160:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.922 K(o=-0.92,f=-3.1!) USER MOD Single : A 72 THR OG1 : rot 170:sc= 0.053 USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= -4.58! (180deg=-4.79!) USER MOD Single : A 81 LYS NZ :NH3+ -156:sc= 1.26 (180deg=0.609) USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= -0.0282 (180deg=-0.164) USER MOD ----------------------------------------------------------------- ATOM 31 N LYS A 2 3.551 -8.886 7.070 1.00 0.00 N ATOM 32 CA LYS A 2 2.689 -7.867 6.491 1.00 0.00 C ATOM 33 C LYS A 2 3.215 -7.564 5.093 1.00 0.00 C ATOM 34 O LYS A 2 4.406 -7.269 4.959 1.00 0.00 O ATOM 35 CB LYS A 2 2.636 -6.625 7.400 1.00 0.00 C ATOM 36 CG LYS A 2 1.405 -5.756 7.096 1.00 0.00 C ATOM 37 CD LYS A 2 0.115 -6.270 7.761 1.00 0.00 C ATOM 38 CE LYS A 2 0.044 -5.812 9.224 1.00 0.00 C ATOM 39 NZ LYS A 2 -1.243 -6.145 9.875 1.00 0.00 N ATOM 0 HA LYS A 2 1.659 -8.215 6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.613 -6.938 8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.542 -6.034 7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.597 -4.737 7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.257 -5.714 6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.754 -5.901 7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.083 -7.358 7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.857 -6.274 9.783 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.199 -4.734 9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.231 -5.811 10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.021 -5.683 9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.383 -7.175 9.861 1.00 0.00 H new ATOM 53 N VAL A 3 2.374 -7.647 4.067 1.00 0.00 N ATOM 54 CA VAL A 3 2.690 -7.233 2.703 1.00 0.00 C ATOM 55 C VAL A 3 1.937 -5.915 2.503 1.00 0.00 C ATOM 56 O VAL A 3 0.705 -5.892 2.427 1.00 0.00 O ATOM 57 CB VAL A 3 2.416 -8.383 1.696 1.00 0.00 C ATOM 58 CG1 VAL A 3 1.017 -8.993 1.751 1.00 0.00 C ATOM 59 CG2 VAL A 3 2.677 -8.010 0.232 1.00 0.00 C ATOM 0 H VAL A 3 1.427 -8.014 4.163 1.00 0.00 H new ATOM 0 HA VAL A 3 3.746 -7.038 2.518 1.00 0.00 H new ATOM 0 HB VAL A 3 3.138 -9.124 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.936 -9.785 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.840 -9.408 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.275 -8.222 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.462 -8.867 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.034 -7.177 -0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.721 -7.720 0.111 1.00 0.00 H new ATOM 69 N LYS A 4 2.671 -4.798 2.559 1.00 0.00 N ATOM 70 CA LYS A 4 2.078 -3.481 2.355 1.00 0.00 C ATOM 71 C LYS A 4 1.747 -3.292 0.883 1.00 0.00 C ATOM 72 O LYS A 4 2.371 -3.903 0.014 1.00 0.00 O ATOM 73 CB LYS A 4 3.032 -2.355 2.817 1.00 0.00 C ATOM 74 CG LYS A 4 2.527 -1.684 4.098 1.00 0.00 C ATOM 75 CD LYS A 4 2.913 -2.451 5.370 1.00 0.00 C ATOM 76 CE LYS A 4 1.972 -2.147 6.542 1.00 0.00 C ATOM 77 NZ LYS A 4 1.699 -0.709 6.746 1.00 0.00 N ATOM 0 H LYS A 4 3.674 -4.784 2.744 1.00 0.00 H new ATOM 0 HA LYS A 4 1.168 -3.424 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.027 -2.766 2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.127 -1.610 2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.929 -0.672 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.442 -1.593 4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.899 -3.521 5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.934 -2.194 5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.027 -2.664 6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.404 -2.556 7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.155 -0.580 7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.598 -0.192 6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.151 -0.342 5.942 1.00 0.00 H new ATOM 91 N ILE A 5 0.823 -2.375 0.619 1.00 0.00 N ATOM 92 CA ILE A 5 0.596 -1.731 -0.651 1.00 0.00 C ATOM 93 C ILE A 5 0.213 -0.287 -0.319 1.00 0.00 C ATOM 94 O ILE A 5 -0.610 -0.052 0.569 1.00 0.00 O ATOM 95 CB ILE A 5 -0.510 -2.444 -1.464 1.00 0.00 C ATOM 96 CG1 ILE A 5 -0.145 -3.881 -1.890 1.00 0.00 C ATOM 97 CG2 ILE A 5 -0.848 -1.663 -2.742 1.00 0.00 C ATOM 98 CD1 ILE A 5 -0.499 -4.967 -0.872 1.00 0.00 C ATOM 0 H ILE A 5 0.177 -2.047 1.337 1.00 0.00 H new ATOM 0 HA ILE A 5 1.485 -1.771 -1.281 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.362 -2.488 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.651 -4.105 -2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.926 -3.924 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.628 -2.188 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.199 -0.666 -2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.043 -1.580 -3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.204 -5.941 -1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.028 -4.775 0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.574 -4.959 -0.690 1.00 0.00 H new ATOM 110 N GLU A 6 0.721 0.678 -1.081 1.00 0.00 N ATOM 111 CA GLU A 6 0.191 2.042 -1.100 1.00 0.00 C ATOM 112 C GLU A 6 -0.041 2.402 -2.566 1.00 0.00 C ATOM 113 O GLU A 6 0.716 1.963 -3.431 1.00 0.00 O ATOM 114 CB GLU A 6 1.138 3.050 -0.424 1.00 0.00 C ATOM 115 CG GLU A 6 1.573 2.693 1.007 1.00 0.00 C ATOM 116 CD GLU A 6 2.562 3.720 1.570 1.00 0.00 C ATOM 117 OE1 GLU A 6 2.144 4.855 1.902 1.00 0.00 O ATOM 118 OE2 GLU A 6 3.760 3.399 1.732 1.00 0.00 O ATOM 0 H GLU A 6 1.515 0.537 -1.706 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.737 2.089 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.030 3.154 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.649 4.024 -0.404 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.696 2.641 1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.032 1.704 1.012 1.00 0.00 H new ATOM 125 N LEU A 7 -1.093 3.162 -2.875 1.00 0.00 N ATOM 126 CA LEU A 7 -1.549 3.426 -4.238 1.00 0.00 C ATOM 127 C LEU A 7 -1.930 4.891 -4.342 1.00 0.00 C ATOM 128 O LEU A 7 -3.080 5.265 -4.098 1.00 0.00 O ATOM 129 CB LEU A 7 -2.734 2.512 -4.579 1.00 0.00 C ATOM 130 CG LEU A 7 -2.285 1.061 -4.802 1.00 0.00 C ATOM 131 CD1 LEU A 7 -3.487 0.148 -4.633 1.00 0.00 C ATOM 132 CD2 LEU A 7 -1.689 0.833 -6.192 1.00 0.00 C ATOM 0 H LEU A 7 -1.664 3.622 -2.166 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.755 3.215 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.465 2.547 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.232 2.881 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.507 0.842 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.183 -0.887 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.890 0.260 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.252 0.415 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.389 -0.210 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.434 1.071 -6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.818 1.475 -6.324 1.00 0.00 H new ATOM 144 N PHE A 8 -0.947 5.709 -4.697 1.00 0.00 N ATOM 145 CA PHE A 8 -0.946 7.150 -4.569 1.00 0.00 C ATOM 146 C PHE A 8 -0.941 7.770 -5.962 1.00 0.00 C ATOM 147 O PHE A 8 0.100 7.899 -6.603 1.00 0.00 O ATOM 148 CB PHE A 8 0.282 7.552 -3.748 1.00 0.00 C ATOM 149 CG PHE A 8 0.238 8.956 -3.200 1.00 0.00 C ATOM 150 CD1 PHE A 8 0.289 10.074 -4.054 1.00 0.00 C ATOM 151 CD2 PHE A 8 0.164 9.136 -1.810 1.00 0.00 C ATOM 152 CE1 PHE A 8 0.161 11.365 -3.517 1.00 0.00 C ATOM 153 CE2 PHE A 8 0.085 10.426 -1.273 1.00 0.00 C ATOM 154 CZ PHE A 8 0.043 11.538 -2.129 1.00 0.00 C ATOM 0 H PHE A 8 -0.081 5.357 -5.105 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.836 7.511 -4.054 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.391 6.855 -2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.170 7.447 -4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.426 9.939 -5.117 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.168 8.278 -1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.153 12.224 -4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.056 10.566 -0.202 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.080 12.529 -1.718 1.00 0.00 H new ATOM 164 N THR A 9 -2.113 8.151 -6.452 1.00 0.00 N ATOM 165 CA THR A 9 -2.337 8.775 -7.752 1.00 0.00 C ATOM 166 C THR A 9 -3.846 9.054 -7.852 1.00 0.00 C ATOM 167 O THR A 9 -4.590 8.805 -6.898 1.00 0.00 O ATOM 168 CB THR A 9 -1.762 7.900 -8.896 1.00 0.00 C ATOM 169 OG1 THR A 9 -1.899 8.559 -10.139 1.00 0.00 O ATOM 170 CG2 THR A 9 -2.358 6.485 -8.946 1.00 0.00 C ATOM 0 H THR A 9 -2.979 8.027 -5.927 1.00 0.00 H new ATOM 0 HA THR A 9 -1.804 9.720 -7.855 1.00 0.00 H new ATOM 0 HB THR A 9 -0.702 7.765 -8.680 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.998 7.894 -10.852 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.910 5.930 -9.770 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.152 5.970 -8.008 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.436 6.549 -9.096 1.00 0.00 H new ATOM 178 N SER A 10 -4.315 9.577 -8.983 1.00 0.00 N ATOM 179 CA SER A 10 -5.713 9.512 -9.381 1.00 0.00 C ATOM 180 C SER A 10 -5.783 9.703 -10.907 1.00 0.00 C ATOM 181 O SER A 10 -6.249 10.741 -11.377 1.00 0.00 O ATOM 182 CB SER A 10 -6.542 10.533 -8.581 1.00 0.00 C ATOM 183 OG SER A 10 -7.923 10.320 -8.779 1.00 0.00 O ATOM 0 H SER A 10 -3.723 10.064 -9.656 1.00 0.00 H new ATOM 0 HA SER A 10 -6.152 8.542 -9.150 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.305 10.450 -7.520 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.277 11.545 -8.889 1.00 0.00 H new ATOM 0 HG SER A 10 -8.416 10.610 -7.983 1.00 0.00 H new ATOM 274 N PRO A 17 -10.409 0.691 -10.877 1.00 0.00 N ATOM 275 CA PRO A 17 -9.994 -0.690 -10.614 1.00 0.00 C ATOM 276 C PRO A 17 -8.730 -0.815 -9.748 1.00 0.00 C ATOM 277 O PRO A 17 -8.397 -1.932 -9.366 1.00 0.00 O ATOM 278 CB PRO A 17 -9.765 -1.320 -11.996 1.00 0.00 C ATOM 279 CG PRO A 17 -9.378 -0.125 -12.863 1.00 0.00 C ATOM 280 CD PRO A 17 -10.299 0.958 -12.309 1.00 0.00 C ATOM 0 HA PRO A 17 -10.767 -1.196 -10.035 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.976 -2.071 -11.970 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.663 -1.813 -12.368 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.325 0.137 -12.756 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.554 -0.312 -13.922 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.889 1.951 -12.491 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.277 0.924 -12.790 1.00 0.00 H new ATOM 288 N ALA A 18 -8.031 0.291 -9.452 1.00 0.00 N ATOM 289 CA ALA A 18 -6.683 0.327 -8.893 1.00 0.00 C ATOM 290 C ALA A 18 -6.513 -0.555 -7.647 1.00 0.00 C ATOM 291 O ALA A 18 -5.986 -1.660 -7.760 1.00 0.00 O ATOM 292 CB ALA A 18 -6.274 1.784 -8.646 1.00 0.00 C ATOM 0 H ALA A 18 -8.413 1.224 -9.605 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.004 -0.110 -9.626 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.268 1.814 -8.228 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.292 2.332 -9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.971 2.244 -7.945 1.00 0.00 H new ATOM 298 N ALA A 19 -6.914 -0.090 -6.457 1.00 0.00 N ATOM 299 CA ALA A 19 -6.743 -0.887 -5.247 1.00 0.00 C ATOM 300 C ALA A 19 -7.553 -2.173 -5.265 1.00 0.00 C ATOM 301 O ALA A 19 -7.131 -3.117 -4.606 1.00 0.00 O ATOM 302 CB ALA A 19 -7.072 -0.063 -4.009 1.00 0.00 C ATOM 0 H ALA A 19 -7.352 0.820 -6.312 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.693 -1.179 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.938 -0.676 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.408 0.800 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.106 0.278 -4.063 1.00 0.00 H new ATOM 308 N LYS A 20 -8.657 -2.238 -6.016 1.00 0.00 N ATOM 309 CA LYS A 20 -9.458 -3.452 -6.119 1.00 0.00 C ATOM 310 C LYS A 20 -8.616 -4.578 -6.715 1.00 0.00 C ATOM 311 O LYS A 20 -8.393 -5.588 -6.053 1.00 0.00 O ATOM 312 CB LYS A 20 -10.770 -3.195 -6.889 1.00 0.00 C ATOM 313 CG LYS A 20 -11.994 -3.626 -6.063 1.00 0.00 C ATOM 314 CD LYS A 20 -12.071 -5.149 -5.881 1.00 0.00 C ATOM 315 CE LYS A 20 -13.166 -5.521 -4.879 1.00 0.00 C ATOM 316 NZ LYS A 20 -13.077 -6.938 -4.474 1.00 0.00 N ATOM 0 H LYS A 20 -9.014 -1.455 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.763 -3.771 -5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.849 -2.136 -7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.754 -3.741 -7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.955 -3.147 -5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.902 -3.275 -6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.273 -5.625 -6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.110 -5.527 -5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.084 -4.885 -3.998 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.144 -5.329 -5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.835 -7.153 -3.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.180 -7.546 -5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.153 -7.115 -4.030 1.00 0.00 H new ATOM 330 N ARG A 21 -8.089 -4.403 -7.930 1.00 0.00 N ATOM 331 CA ARG A 21 -7.230 -5.419 -8.532 1.00 0.00 C ATOM 332 C ARG A 21 -5.989 -5.640 -7.701 1.00 0.00 C ATOM 333 O ARG A 21 -5.575 -6.779 -7.550 1.00 0.00 O ATOM 334 CB ARG A 21 -6.782 -5.040 -9.940 1.00 0.00 C ATOM 335 CG ARG A 21 -7.924 -5.233 -10.933 1.00 0.00 C ATOM 336 CD ARG A 21 -7.469 -4.765 -12.314 1.00 0.00 C ATOM 337 NE ARG A 21 -8.373 -5.266 -13.353 1.00 0.00 N ATOM 338 CZ ARG A 21 -8.030 -5.475 -14.626 1.00 0.00 C ATOM 339 NH1 ARG A 21 -6.969 -4.857 -15.134 1.00 0.00 N ATOM 340 NH2 ARG A 21 -8.753 -6.313 -15.357 1.00 0.00 N ATOM 0 H ARG A 21 -8.241 -3.577 -8.508 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.831 -6.327 -8.577 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.450 -4.002 -9.955 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.929 -5.652 -10.234 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.218 -6.282 -10.969 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.800 -4.668 -10.614 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.441 -3.676 -12.344 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.455 -5.116 -12.507 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.335 -5.470 -13.084 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.419 -4.225 -14.552 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.704 -5.014 -16.106 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.557 -6.786 -14.945 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.505 -6.484 -16.331 1.00 0.00 H new ATOM 354 N VAL A 22 -5.353 -4.580 -7.209 1.00 0.00 N ATOM 355 CA VAL A 22 -4.081 -4.748 -6.531 1.00 0.00 C ATOM 356 C VAL A 22 -4.284 -5.540 -5.216 1.00 0.00 C ATOM 357 O VAL A 22 -3.418 -6.350 -4.882 1.00 0.00 O ATOM 358 CB VAL A 22 -3.384 -3.373 -6.423 1.00 0.00 C ATOM 359 CG1 VAL A 22 -2.061 -3.477 -5.672 1.00 0.00 C ATOM 360 CG2 VAL A 22 -3.029 -2.772 -7.806 1.00 0.00 C ATOM 0 H VAL A 22 -5.691 -3.619 -7.267 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.384 -5.366 -7.097 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.101 -2.740 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.597 -2.492 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.243 -3.852 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.396 -4.161 -6.199 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.542 -1.807 -7.669 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.355 -3.447 -8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.940 -2.639 -8.390 1.00 0.00 H new ATOM 370 N VAL A 23 -5.416 -5.396 -4.503 1.00 0.00 N ATOM 371 CA VAL A 23 -5.701 -6.221 -3.327 1.00 0.00 C ATOM 372 C VAL A 23 -6.213 -7.609 -3.715 1.00 0.00 C ATOM 373 O VAL A 23 -6.015 -8.540 -2.944 1.00 0.00 O ATOM 374 CB VAL A 23 -6.635 -5.502 -2.323 1.00 0.00 C ATOM 375 CG1 VAL A 23 -8.132 -5.527 -2.664 1.00 0.00 C ATOM 376 CG2 VAL A 23 -6.468 -6.084 -0.910 1.00 0.00 C ATOM 0 H VAL A 23 -6.143 -4.716 -4.724 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.755 -6.374 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.316 -4.461 -2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.690 -4.995 -1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.294 -5.044 -3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.477 -6.560 -2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.134 -5.564 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.716 -7.145 -0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.436 -5.956 -0.583 1.00 0.00 H new ATOM 386 N GLU A 24 -6.860 -7.788 -4.870 1.00 0.00 N ATOM 387 CA GLU A 24 -7.194 -9.115 -5.381 1.00 0.00 C ATOM 388 C GLU A 24 -5.891 -9.884 -5.605 1.00 0.00 C ATOM 389 O GLU A 24 -5.675 -10.954 -5.018 1.00 0.00 O ATOM 390 CB GLU A 24 -8.000 -9.008 -6.688 1.00 0.00 C ATOM 391 CG GLU A 24 -9.486 -8.752 -6.434 1.00 0.00 C ATOM 392 CD GLU A 24 -10.222 -8.443 -7.736 1.00 0.00 C ATOM 393 OE1 GLU A 24 -10.152 -9.238 -8.702 1.00 0.00 O ATOM 394 OE2 GLU A 24 -10.966 -7.442 -7.793 1.00 0.00 O ATOM 0 H GLU A 24 -7.164 -7.022 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.816 -9.646 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.594 -8.201 -7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.885 -9.929 -7.260 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.932 -9.626 -5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.601 -7.919 -5.741 1.00 0.00 H new ATOM 401 N GLU A 25 -5.028 -9.293 -6.438 1.00 0.00 N ATOM 402 CA GLU A 25 -3.737 -9.807 -6.841 1.00 0.00 C ATOM 403 C GLU A 25 -2.991 -10.225 -5.580 1.00 0.00 C ATOM 404 O GLU A 25 -2.877 -11.423 -5.367 1.00 0.00 O ATOM 405 CB GLU A 25 -2.981 -8.797 -7.731 1.00 0.00 C ATOM 406 CG GLU A 25 -1.911 -9.504 -8.591 1.00 0.00 C ATOM 407 CD GLU A 25 -2.456 -9.951 -9.962 1.00 0.00 C ATOM 408 OE1 GLU A 25 -3.662 -10.280 -10.088 1.00 0.00 O ATOM 409 OE2 GLU A 25 -1.722 -9.898 -10.974 1.00 0.00 O ATOM 0 H GLU A 25 -5.234 -8.391 -6.868 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.841 -10.687 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.688 -8.278 -8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.507 -8.040 -7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.067 -8.831 -8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.533 -10.373 -8.053 1.00 0.00 H new ATOM 416 N VAL A 26 -2.619 -9.295 -4.690 1.00 0.00 N ATOM 417 CA VAL A 26 -1.834 -9.665 -3.511 1.00 0.00 C ATOM 418 C VAL A 26 -2.603 -10.574 -2.544 1.00 0.00 C ATOM 419 O VAL A 26 -1.966 -11.369 -1.853 1.00 0.00 O ATOM 420 CB VAL A 26 -1.260 -8.419 -2.806 1.00 0.00 C ATOM 421 CG1 VAL A 26 -0.388 -8.793 -1.595 1.00 0.00 C ATOM 422 CG2 VAL A 26 -0.368 -7.615 -3.760 1.00 0.00 C ATOM 0 H VAL A 26 -2.844 -8.303 -4.763 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.992 -10.257 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.121 -7.835 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.005 -7.886 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.987 -9.347 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.446 -9.412 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.025 -6.741 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.459 -8.239 -4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.954 -7.292 -4.621 1.00 0.00 H new ATOM 432 N ALA A 27 -3.940 -10.522 -2.469 1.00 0.00 N ATOM 433 CA ALA A 27 -4.660 -11.472 -1.625 1.00 0.00 C ATOM 434 C ALA A 27 -4.505 -12.901 -2.143 1.00 0.00 C ATOM 435 O ALA A 27 -4.585 -13.827 -1.342 1.00 0.00 O ATOM 436 CB ALA A 27 -6.143 -11.137 -1.507 1.00 0.00 C ATOM 0 H ALA A 27 -4.526 -9.852 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.214 -11.395 -0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.633 -11.873 -0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.258 -10.145 -1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.600 -11.153 -2.497 1.00 0.00 H new ATOM 442 N ASN A 28 -4.267 -13.102 -3.445 1.00 0.00 N ATOM 443 CA ASN A 28 -3.834 -14.430 -3.910 1.00 0.00 C ATOM 444 C ASN A 28 -2.606 -14.918 -3.143 1.00 0.00 C ATOM 445 O ASN A 28 -2.590 -16.071 -2.708 1.00 0.00 O ATOM 446 CB ASN A 28 -3.494 -14.515 -5.400 1.00 0.00 C ATOM 447 CG ASN A 28 -4.709 -14.396 -6.289 1.00 0.00 C ATOM 448 OD1 ASN A 28 -5.298 -15.392 -6.704 1.00 0.00 O ATOM 449 ND2 ASN A 28 -5.118 -13.186 -6.617 1.00 0.00 N ATOM 0 H ASN A 28 -4.361 -12.394 -4.173 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.706 -15.058 -3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.787 -13.724 -5.652 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.995 -15.463 -5.600 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.931 -13.069 -7.221 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.621 -12.367 -6.266 1.00 0.00 H new ATOM 456 N GLU A 29 -1.566 -14.091 -3.009 1.00 0.00 N ATOM 457 CA GLU A 29 -0.370 -14.464 -2.264 1.00 0.00 C ATOM 458 C GLU A 29 -0.700 -14.593 -0.777 1.00 0.00 C ATOM 459 O GLU A 29 -0.368 -15.606 -0.150 1.00 0.00 O ATOM 460 CB GLU A 29 0.791 -13.467 -2.436 1.00 0.00 C ATOM 461 CG GLU A 29 1.367 -13.441 -3.853 1.00 0.00 C ATOM 462 CD GLU A 29 0.642 -12.439 -4.738 1.00 0.00 C ATOM 463 OE1 GLU A 29 1.064 -11.257 -4.756 1.00 0.00 O ATOM 464 OE2 GLU A 29 -0.302 -12.884 -5.429 1.00 0.00 O ATOM 0 H GLU A 29 -1.533 -13.154 -3.411 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.040 -15.419 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.443 -12.468 -2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.585 -13.721 -1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.427 -13.189 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.294 -14.435 -4.294 1.00 0.00 H new ATOM 471 N MET A 30 -1.325 -13.566 -0.205 1.00 0.00 N ATOM 472 CA MET A 30 -1.532 -13.389 1.220 1.00 0.00 C ATOM 473 C MET A 30 -2.914 -12.769 1.460 1.00 0.00 C ATOM 474 O MET A 30 -3.027 -11.551 1.591 1.00 0.00 O ATOM 475 CB MET A 30 -0.383 -12.543 1.809 1.00 0.00 C ATOM 476 CG MET A 30 0.574 -13.434 2.596 1.00 0.00 C ATOM 477 SD MET A 30 -0.160 -14.090 4.120 1.00 0.00 S ATOM 478 CE MET A 30 1.290 -14.911 4.829 1.00 0.00 C ATOM 0 H MET A 30 -1.717 -12.801 -0.754 1.00 0.00 H new ATOM 0 HA MET A 30 -1.516 -14.350 1.734 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.155 -12.037 1.007 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.788 -11.768 2.459 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.890 -14.264 1.965 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.469 -12.865 2.846 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.019 -15.373 5.778 1.00 0.00 H new ATOM 0 HE2 MET A 30 1.647 -15.678 4.141 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.079 -14.177 4.995 1.00 0.00 H new ATOM 488 N PRO A 31 -3.980 -13.573 1.597 1.00 0.00 N ATOM 489 CA PRO A 31 -5.340 -13.094 1.859 1.00 0.00 C ATOM 490 C PRO A 31 -5.502 -12.675 3.332 1.00 0.00 C ATOM 491 O PRO A 31 -6.591 -12.781 3.904 1.00 0.00 O ATOM 492 CB PRO A 31 -6.233 -14.285 1.482 1.00 0.00 C ATOM 493 CG PRO A 31 -5.373 -15.493 1.850 1.00 0.00 C ATOM 494 CD PRO A 31 -3.950 -15.027 1.541 1.00 0.00 C ATOM 0 HA PRO A 31 -5.599 -12.203 1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.172 -14.275 2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.487 -14.279 0.422 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.488 -15.762 2.900 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.644 -16.371 1.264 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.242 -15.430 2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.632 -15.373 0.557 1.00 0.00 H new ATOM 502 N ASP A 32 -4.412 -12.262 3.978 1.00 0.00 N ATOM 503 CA ASP A 32 -4.250 -12.248 5.424 1.00 0.00 C ATOM 504 C ASP A 32 -3.278 -11.134 5.794 1.00 0.00 C ATOM 505 O ASP A 32 -3.693 -10.121 6.350 1.00 0.00 O ATOM 506 CB ASP A 32 -3.751 -13.637 5.862 1.00 0.00 C ATOM 507 CG ASP A 32 -3.526 -13.745 7.367 1.00 0.00 C ATOM 508 OD1 ASP A 32 -2.765 -12.942 7.945 1.00 0.00 O ATOM 509 OD2 ASP A 32 -4.106 -14.655 8.002 1.00 0.00 O ATOM 0 H ASP A 32 -3.588 -11.916 3.486 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.190 -12.048 5.939 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.476 -14.391 5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.818 -13.861 5.344 1.00 0.00 H new ATOM 514 N ALA A 33 -1.999 -11.283 5.434 1.00 0.00 N ATOM 515 CA ALA A 33 -0.956 -10.316 5.760 1.00 0.00 C ATOM 516 C ALA A 33 -1.080 -9.007 4.964 1.00 0.00 C ATOM 517 O ALA A 33 -0.271 -8.103 5.159 1.00 0.00 O ATOM 518 CB ALA A 33 0.409 -10.967 5.505 1.00 0.00 C ATOM 0 H ALA A 33 -1.660 -12.086 4.904 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.065 -10.044 6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.201 -10.257 5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.513 -11.852 6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.484 -11.255 4.457 1.00 0.00 H new ATOM 524 N VAL A 34 -2.013 -8.908 4.018 1.00 0.00 N ATOM 525 CA VAL A 34 -2.104 -7.766 3.126 1.00 0.00 C ATOM 526 C VAL A 34 -2.600 -6.528 3.893 1.00 0.00 C ATOM 527 O VAL A 34 -3.500 -6.631 4.735 1.00 0.00 O ATOM 528 CB VAL A 34 -2.912 -8.190 1.874 1.00 0.00 C ATOM 529 CG1 VAL A 34 -4.406 -8.431 2.113 1.00 0.00 C ATOM 530 CG2 VAL A 34 -2.733 -7.179 0.740 1.00 0.00 C ATOM 0 H VAL A 34 -2.724 -9.620 3.853 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.133 -7.448 2.747 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.493 -9.157 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.882 -8.723 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.533 -9.226 2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.867 -7.516 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.310 -7.499 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.083 -6.200 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.678 -7.117 0.471 1.00 0.00 H new ATOM 540 N GLU A 35 -2.023 -5.358 3.611 1.00 0.00 N ATOM 541 CA GLU A 35 -2.551 -4.045 3.983 1.00 0.00 C ATOM 542 C GLU A 35 -2.441 -3.157 2.753 1.00 0.00 C ATOM 543 O GLU A 35 -1.341 -2.996 2.230 1.00 0.00 O ATOM 544 CB GLU A 35 -1.761 -3.406 5.144 1.00 0.00 C ATOM 545 CG GLU A 35 -2.480 -3.621 6.476 1.00 0.00 C ATOM 546 CD GLU A 35 -1.815 -2.901 7.652 1.00 0.00 C ATOM 547 OE1 GLU A 35 -0.597 -3.053 7.868 1.00 0.00 O ATOM 548 OE2 GLU A 35 -2.546 -2.286 8.468 1.00 0.00 O ATOM 0 H GLU A 35 -1.143 -5.297 3.099 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.581 -4.155 4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.762 -3.839 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.637 -2.339 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.510 -3.275 6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.520 -4.689 6.690 1.00 0.00 H new ATOM 555 N VAL A 36 -3.552 -2.581 2.294 1.00 0.00 N ATOM 556 CA VAL A 36 -3.572 -1.685 1.144 1.00 0.00 C ATOM 557 C VAL A 36 -4.027 -0.306 1.602 1.00 0.00 C ATOM 558 O VAL A 36 -4.948 -0.186 2.416 1.00 0.00 O ATOM 559 CB VAL A 36 -4.465 -2.271 0.029 1.00 0.00 C ATOM 560 CG1 VAL A 36 -4.410 -1.441 -1.264 1.00 0.00 C ATOM 561 CG2 VAL A 36 -4.058 -3.720 -0.274 1.00 0.00 C ATOM 0 H VAL A 36 -4.470 -2.726 2.715 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.573 -1.583 0.719 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.490 -2.243 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.055 -1.896 -2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.750 -0.426 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.385 -1.412 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.696 -4.120 -1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.019 -3.745 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.170 -4.325 0.626 1.00 0.00 H new ATOM 571 N GLU A 37 -3.399 0.736 1.066 1.00 0.00 N ATOM 572 CA GLU A 37 -3.804 2.118 1.182 1.00 0.00 C ATOM 573 C GLU A 37 -4.120 2.573 -0.237 1.00 0.00 C ATOM 574 O GLU A 37 -3.205 2.817 -1.024 1.00 0.00 O ATOM 575 CB GLU A 37 -2.662 2.926 1.820 1.00 0.00 C ATOM 576 CG GLU A 37 -2.507 2.673 3.325 1.00 0.00 C ATOM 577 CD GLU A 37 -3.603 3.390 4.108 1.00 0.00 C ATOM 578 OE1 GLU A 37 -3.587 4.640 4.136 1.00 0.00 O ATOM 579 OE2 GLU A 37 -4.504 2.719 4.671 1.00 0.00 O ATOM 0 H GLU A 37 -2.550 0.625 0.511 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.676 2.260 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.726 2.678 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.841 3.988 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.551 1.602 3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.529 3.020 3.658 1.00 0.00 H new ATOM 586 N TYR A 38 -5.399 2.623 -0.607 1.00 0.00 N ATOM 587 CA TYR A 38 -5.841 3.413 -1.742 1.00 0.00 C ATOM 588 C TYR A 38 -5.882 4.858 -1.275 1.00 0.00 C ATOM 589 O TYR A 38 -6.650 5.177 -0.365 1.00 0.00 O ATOM 590 CB TYR A 38 -7.224 2.970 -2.241 1.00 0.00 C ATOM 591 CG TYR A 38 -7.556 3.500 -3.629 1.00 0.00 C ATOM 592 CD1 TYR A 38 -6.620 3.369 -4.672 1.00 0.00 C ATOM 593 CD2 TYR A 38 -8.777 4.158 -3.881 1.00 0.00 C ATOM 594 CE1 TYR A 38 -6.875 3.920 -5.931 1.00 0.00 C ATOM 595 CE2 TYR A 38 -9.053 4.692 -5.156 1.00 0.00 C ATOM 596 CZ TYR A 38 -8.090 4.590 -6.184 1.00 0.00 C ATOM 597 OH TYR A 38 -8.314 5.132 -7.412 1.00 0.00 O ATOM 0 H TYR A 38 -6.147 2.120 -0.130 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.157 3.283 -2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.267 1.881 -2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.984 3.310 -1.537 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.696 2.838 -4.498 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.507 4.254 -3.091 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.137 3.832 -6.715 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.999 5.178 -5.346 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.197 5.557 -7.426 1.00 0.00 H new ATOM 607 N ILE A 39 -5.050 5.723 -1.849 1.00 0.00 N ATOM 608 CA ILE A 39 -5.045 7.137 -1.517 1.00 0.00 C ATOM 609 C ILE A 39 -5.123 7.928 -2.827 1.00 0.00 C ATOM 610 O ILE A 39 -4.173 8.017 -3.612 1.00 0.00 O ATOM 611 CB ILE A 39 -3.934 7.512 -0.507 1.00 0.00 C ATOM 612 CG1 ILE A 39 -2.464 7.245 -0.900 1.00 0.00 C ATOM 613 CG2 ILE A 39 -4.238 6.906 0.875 1.00 0.00 C ATOM 614 CD1 ILE A 39 -1.959 5.796 -0.847 1.00 0.00 C ATOM 0 H ILE A 39 -4.363 5.460 -2.556 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.927 7.423 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.983 8.601 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.317 7.614 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.829 7.845 -0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.447 7.179 1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.192 7.289 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.291 5.820 0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.912 5.764 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.055 5.414 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.551 5.180 -1.524 1.00 0.00 H new ATOM 626 N ASN A 40 -6.332 8.405 -3.111 1.00 0.00 N ATOM 627 CA ASN A 40 -6.651 9.261 -4.239 1.00 0.00 C ATOM 628 C ASN A 40 -5.967 10.609 -4.027 1.00 0.00 C ATOM 629 O ASN A 40 -6.105 11.211 -2.963 1.00 0.00 O ATOM 630 CB ASN A 40 -8.178 9.395 -4.351 1.00 0.00 C ATOM 631 CG ASN A 40 -8.609 10.633 -5.117 1.00 0.00 C ATOM 632 OD1 ASN A 40 -8.697 10.612 -6.339 1.00 0.00 O ATOM 633 ND2 ASN A 40 -8.889 11.724 -4.436 1.00 0.00 N ATOM 0 H ASN A 40 -7.147 8.194 -2.535 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.289 8.838 -5.176 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.580 8.510 -4.845 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.609 9.425 -3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.184 12.569 -4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.811 11.725 -3.419 1.00 0.00 H new ATOM 640 N VAL A 41 -5.234 11.077 -5.038 1.00 0.00 N ATOM 641 CA VAL A 41 -4.662 12.419 -5.057 1.00 0.00 C ATOM 642 C VAL A 41 -5.799 13.443 -4.979 1.00 0.00 C ATOM 643 O VAL A 41 -6.485 13.680 -5.975 1.00 0.00 O ATOM 644 CB VAL A 41 -3.719 12.601 -6.262 1.00 0.00 C ATOM 645 CG1 VAL A 41 -3.278 14.055 -6.493 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.442 11.783 -6.013 1.00 0.00 C ATOM 0 H VAL A 41 -5.020 10.529 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.028 12.581 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.278 12.274 -7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.616 14.101 -7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.155 14.677 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.749 14.419 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.764 11.901 -6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.955 12.136 -5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.701 10.730 -5.900 1.00 0.00 H new ATOM 656 N MET A 42 -5.982 14.026 -3.791 1.00 0.00 N ATOM 657 CA MET A 42 -6.813 15.179 -3.465 1.00 0.00 C ATOM 658 C MET A 42 -6.630 15.431 -1.972 1.00 0.00 C ATOM 659 O MET A 42 -5.983 16.400 -1.585 1.00 0.00 O ATOM 660 CB MET A 42 -8.298 14.964 -3.820 1.00 0.00 C ATOM 661 CG MET A 42 -9.187 16.138 -3.399 1.00 0.00 C ATOM 662 SD MET A 42 -10.931 15.902 -3.836 1.00 0.00 S ATOM 663 CE MET A 42 -11.674 17.235 -2.863 1.00 0.00 C ATOM 0 H MET A 42 -5.508 13.668 -2.962 1.00 0.00 H new ATOM 0 HA MET A 42 -6.505 16.041 -4.057 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.391 14.812 -4.895 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.654 14.054 -3.337 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.105 16.280 -2.321 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.821 17.050 -3.870 1.00 0.00 H new ATOM 0 HE1 MET A 42 -12.754 17.237 -3.014 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.455 17.080 -1.807 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.261 18.192 -3.182 1.00 0.00 H new ATOM 673 N GLU A 43 -7.196 14.565 -1.125 1.00 0.00 N ATOM 674 CA GLU A 43 -7.136 14.737 0.323 1.00 0.00 C ATOM 675 C GLU A 43 -5.742 14.390 0.836 1.00 0.00 C ATOM 676 O GLU A 43 -5.219 15.062 1.727 1.00 0.00 O ATOM 677 CB GLU A 43 -8.134 13.801 1.007 1.00 0.00 C ATOM 678 CG GLU A 43 -9.607 14.054 0.659 1.00 0.00 C ATOM 679 CD GLU A 43 -10.428 12.920 1.264 1.00 0.00 C ATOM 680 OE1 GLU A 43 -10.416 11.805 0.687 1.00 0.00 O ATOM 681 OE2 GLU A 43 -10.935 13.067 2.396 1.00 0.00 O ATOM 0 H GLU A 43 -7.704 13.733 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.375 15.776 0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.885 12.773 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.011 13.890 2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.934 15.016 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.744 14.091 -0.422 1.00 0.00 H new ATOM 688 N ASN A 44 -5.167 13.311 0.302 1.00 0.00 N ATOM 689 CA ASN A 44 -3.973 12.674 0.838 1.00 0.00 C ATOM 690 C ASN A 44 -2.777 13.637 0.892 1.00 0.00 C ATOM 691 O ASN A 44 -2.597 14.463 -0.004 1.00 0.00 O ATOM 692 CB ASN A 44 -3.648 11.388 0.054 1.00 0.00 C ATOM 693 CG ASN A 44 -3.314 11.569 -1.426 1.00 0.00 C ATOM 694 OD1 ASN A 44 -3.391 12.646 -2.002 1.00 0.00 O ATOM 695 ND2 ASN A 44 -2.953 10.496 -2.104 1.00 0.00 N ATOM 0 H ASN A 44 -5.529 12.850 -0.532 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.180 12.392 1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.805 10.895 0.538 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.500 10.713 0.133 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.741 10.569 -3.099 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.886 9.594 -1.633 1.00 0.00 H new ATOM 702 N PRO A 45 -1.934 13.553 1.933 1.00 0.00 N ATOM 703 CA PRO A 45 -0.745 14.378 2.025 1.00 0.00 C ATOM 704 C PRO A 45 0.249 13.905 0.965 1.00 0.00 C ATOM 705 O PRO A 45 0.477 12.704 0.816 1.00 0.00 O ATOM 706 CB PRO A 45 -0.236 14.205 3.456 1.00 0.00 C ATOM 707 CG PRO A 45 -0.743 12.821 3.865 1.00 0.00 C ATOM 708 CD PRO A 45 -2.054 12.687 3.095 1.00 0.00 C ATOM 0 HA PRO A 45 -0.920 15.437 1.834 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.852 14.261 3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.624 14.983 4.114 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.036 12.037 3.595 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.900 12.752 4.941 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.224 11.653 2.794 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.901 12.982 3.714 1.00 0.00 H new ATOM 716 N GLN A 46 0.879 14.846 0.261 1.00 0.00 N ATOM 717 CA GLN A 46 1.850 14.602 -0.812 1.00 0.00 C ATOM 718 C GLN A 46 3.050 13.750 -0.367 1.00 0.00 C ATOM 719 O GLN A 46 3.787 13.250 -1.205 1.00 0.00 O ATOM 720 CB GLN A 46 2.349 15.940 -1.373 1.00 0.00 C ATOM 721 CG GLN A 46 1.250 16.759 -2.068 1.00 0.00 C ATOM 722 CD GLN A 46 1.718 18.190 -2.312 1.00 0.00 C ATOM 723 OE1 GLN A 46 1.509 19.067 -1.477 1.00 0.00 O ATOM 724 NE2 GLN A 46 2.415 18.452 -3.402 1.00 0.00 N ATOM 0 H GLN A 46 0.722 15.840 0.428 1.00 0.00 H new ATOM 0 HA GLN A 46 1.328 14.033 -1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.773 16.530 -0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.154 15.750 -2.083 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.985 16.291 -3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.350 16.765 -1.453 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.583 17.717 -4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.786 19.389 -3.557 1.00 0.00 H new ATOM 733 N LYS A 47 3.243 13.544 0.934 1.00 0.00 N ATOM 734 CA LYS A 47 4.326 12.822 1.596 1.00 0.00 C ATOM 735 C LYS A 47 4.644 11.393 1.132 1.00 0.00 C ATOM 736 O LYS A 47 5.545 10.782 1.703 1.00 0.00 O ATOM 737 CB LYS A 47 4.077 12.893 3.113 1.00 0.00 C ATOM 738 CG LYS A 47 2.757 12.279 3.599 1.00 0.00 C ATOM 739 CD LYS A 47 2.710 10.762 3.807 1.00 0.00 C ATOM 740 CE LYS A 47 1.912 10.015 2.722 1.00 0.00 C ATOM 741 NZ LYS A 47 1.157 8.871 3.278 1.00 0.00 N ATOM 0 H LYS A 47 2.581 13.914 1.616 1.00 0.00 H new ATOM 0 HA LYS A 47 5.240 13.334 1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.900 12.390 3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.105 13.939 3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.494 12.755 4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.980 12.543 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.729 10.375 3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.269 10.551 4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.220 10.706 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.595 9.658 1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.634 8.396 2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.819 8.198 3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.487 9.213 3.996 1.00 0.00 H new ATOM 755 N ALA A 48 3.905 10.780 0.203 1.00 0.00 N ATOM 756 CA ALA A 48 4.438 9.651 -0.567 1.00 0.00 C ATOM 757 C ALA A 48 5.075 10.218 -1.835 1.00 0.00 C ATOM 758 O ALA A 48 6.279 10.170 -2.017 1.00 0.00 O ATOM 759 CB ALA A 48 3.369 8.598 -0.859 1.00 0.00 C ATOM 0 H ALA A 48 2.948 11.042 -0.033 1.00 0.00 H new ATOM 0 HA ALA A 48 5.194 9.122 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.809 7.781 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.973 8.211 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.561 9.050 -1.435 1.00 0.00 H new ATOM 765 N MET A 49 4.240 10.827 -2.676 1.00 0.00 N ATOM 766 CA MET A 49 4.526 11.571 -3.904 1.00 0.00 C ATOM 767 C MET A 49 5.761 12.494 -3.842 1.00 0.00 C ATOM 768 O MET A 49 6.326 12.797 -4.884 1.00 0.00 O ATOM 769 CB MET A 49 3.208 12.296 -4.269 1.00 0.00 C ATOM 770 CG MET A 49 3.229 13.789 -4.591 1.00 0.00 C ATOM 771 SD MET A 49 3.786 14.264 -6.250 1.00 0.00 S ATOM 772 CE MET A 49 2.304 13.839 -7.204 1.00 0.00 C ATOM 0 H MET A 49 3.237 10.809 -2.494 1.00 0.00 H new ATOM 0 HA MET A 49 4.829 10.885 -4.695 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.782 11.783 -5.131 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.516 12.152 -3.439 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.222 14.181 -4.446 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.872 14.284 -3.863 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.483 14.035 -8.261 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.072 12.783 -7.065 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.464 14.443 -6.860 1.00 0.00 H new ATOM 782 N GLU A 50 6.222 12.902 -2.657 1.00 0.00 N ATOM 783 CA GLU A 50 7.489 13.593 -2.398 1.00 0.00 C ATOM 784 C GLU A 50 8.738 12.890 -2.966 1.00 0.00 C ATOM 785 O GLU A 50 9.779 13.543 -3.081 1.00 0.00 O ATOM 786 CB GLU A 50 7.668 13.763 -0.872 1.00 0.00 C ATOM 787 CG GLU A 50 7.849 12.411 -0.149 1.00 0.00 C ATOM 788 CD GLU A 50 8.216 12.538 1.333 1.00 0.00 C ATOM 789 OE1 GLU A 50 7.498 13.218 2.103 1.00 0.00 O ATOM 790 OE2 GLU A 50 9.214 11.904 1.749 1.00 0.00 O ATOM 0 H GLU A 50 5.689 12.750 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 50 7.417 14.550 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.535 14.395 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.800 14.278 -0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.926 11.838 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.627 11.841 -0.657 1.00 0.00 H new ATOM 797 N TYR A 51 8.646 11.585 -3.249 1.00 0.00 N ATOM 798 CA TYR A 51 9.717 10.619 -3.504 1.00 0.00 C ATOM 799 C TYR A 51 10.733 11.025 -4.584 1.00 0.00 C ATOM 800 O TYR A 51 10.580 12.022 -5.290 1.00 0.00 O ATOM 801 CB TYR A 51 9.049 9.293 -3.924 1.00 0.00 C ATOM 802 CG TYR A 51 8.403 8.422 -2.855 1.00 0.00 C ATOM 803 CD1 TYR A 51 8.920 8.340 -1.543 1.00 0.00 C ATOM 804 CD2 TYR A 51 7.264 7.662 -3.194 1.00 0.00 C ATOM 805 CE1 TYR A 51 8.251 7.587 -0.561 1.00 0.00 C ATOM 806 CE2 TYR A 51 6.593 6.904 -2.219 1.00 0.00 C ATOM 807 CZ TYR A 51 7.066 6.895 -0.890 1.00 0.00 C ATOM 808 OH TYR A 51 6.394 6.202 0.071 1.00 0.00 O ATOM 0 H TYR A 51 7.731 11.138 -3.311 1.00 0.00 H new ATOM 0 HA TYR A 51 10.296 10.545 -2.583 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.283 9.530 -4.663 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.803 8.690 -4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.834 8.858 -1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.904 7.663 -4.212 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.644 7.539 0.444 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.718 6.330 -2.486 1.00 0.00 H new ATOM 0 HH TYR A 51 5.599 5.784 -0.322 1.00 0.00 H new ATOM 818 N GLY A 52 11.768 10.193 -4.756 1.00 0.00 N ATOM 819 CA GLY A 52 12.656 10.198 -5.910 1.00 0.00 C ATOM 820 C GLY A 52 11.860 10.349 -7.209 1.00 0.00 C ATOM 821 O GLY A 52 10.893 9.622 -7.440 1.00 0.00 O ATOM 0 H GLY A 52 12.012 9.478 -4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.372 11.015 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.231 9.272 -5.936 1.00 0.00 H new ATOM 825 N ILE A 53 12.247 11.326 -8.027 1.00 0.00 N ATOM 826 CA ILE A 53 11.596 11.841 -9.239 1.00 0.00 C ATOM 827 C ILE A 53 10.186 12.414 -9.050 1.00 0.00 C ATOM 828 O ILE A 53 9.790 13.249 -9.869 1.00 0.00 O ATOM 829 CB ILE A 53 11.694 10.897 -10.472 1.00 0.00 C ATOM 830 CG1 ILE A 53 10.401 10.123 -10.839 1.00 0.00 C ATOM 831 CG2 ILE A 53 12.918 9.967 -10.419 1.00 0.00 C ATOM 832 CD1 ILE A 53 10.526 9.427 -12.197 1.00 0.00 C ATOM 0 H ILE A 53 13.113 11.831 -7.841 1.00 0.00 H new ATOM 0 HA ILE A 53 12.211 12.710 -9.471 1.00 0.00 H new ATOM 0 HB ILE A 53 11.835 11.593 -11.299 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.189 9.382 -10.068 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.557 10.813 -10.859 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.932 9.333 -11.306 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.828 10.565 -10.387 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.862 9.343 -9.527 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.601 8.895 -12.420 1.00 0.00 H new ATOM 0 HD12 ILE A 53 10.712 10.171 -12.971 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.354 8.718 -12.168 1.00 0.00 H new ATOM 844 N MET A 54 9.451 12.007 -8.014 1.00 0.00 N ATOM 845 CA MET A 54 8.053 12.302 -7.717 1.00 0.00 C ATOM 846 C MET A 54 7.141 11.757 -8.812 1.00 0.00 C ATOM 847 O MET A 54 6.459 10.758 -8.592 1.00 0.00 O ATOM 848 CB MET A 54 7.824 13.801 -7.463 1.00 0.00 C ATOM 849 CG MET A 54 8.747 14.359 -6.382 1.00 0.00 C ATOM 850 SD MET A 54 8.773 16.167 -6.292 1.00 0.00 S ATOM 851 CE MET A 54 9.548 16.554 -7.886 1.00 0.00 C ATOM 0 H MET A 54 9.859 11.407 -7.297 1.00 0.00 H new ATOM 0 HA MET A 54 7.794 11.792 -6.789 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.982 14.352 -8.390 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.787 13.962 -7.169 1.00 0.00 H new ATOM 0 HG2 MET A 54 8.437 13.962 -5.415 1.00 0.00 H new ATOM 0 HG3 MET A 54 9.760 14.001 -6.564 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.992 17.548 -7.843 1.00 0.00 H new ATOM 0 HE2 MET A 54 10.324 15.819 -8.101 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.794 16.527 -8.673 1.00 0.00 H new ATOM 861 N ALA A 55 7.144 12.406 -9.982 1.00 0.00 N ATOM 862 CA ALA A 55 6.293 12.177 -11.140 1.00 0.00 C ATOM 863 C ALA A 55 4.872 11.788 -10.709 1.00 0.00 C ATOM 864 O ALA A 55 4.266 12.477 -9.879 1.00 0.00 O ATOM 865 CB ALA A 55 6.980 11.184 -12.095 1.00 0.00 C ATOM 0 H ALA A 55 7.800 13.168 -10.150 1.00 0.00 H new ATOM 0 HA ALA A 55 6.162 13.098 -11.707 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.342 11.013 -12.962 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.935 11.595 -12.422 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.150 10.240 -11.578 1.00 0.00 H new ATOM 871 N VAL A 56 4.344 10.718 -11.289 1.00 0.00 N ATOM 872 CA VAL A 56 3.070 10.062 -11.016 1.00 0.00 C ATOM 873 C VAL A 56 3.015 8.871 -11.988 1.00 0.00 C ATOM 874 O VAL A 56 3.573 8.973 -13.084 1.00 0.00 O ATOM 875 CB VAL A 56 1.866 11.045 -11.167 1.00 0.00 C ATOM 876 CG1 VAL A 56 0.760 10.633 -12.156 1.00 0.00 C ATOM 877 CG2 VAL A 56 1.185 11.286 -9.808 1.00 0.00 C ATOM 0 H VAL A 56 4.847 10.240 -12.037 1.00 0.00 H new ATOM 0 HA VAL A 56 2.995 9.718 -9.984 1.00 0.00 H new ATOM 0 HB VAL A 56 2.337 11.940 -11.575 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.018 11.396 -12.171 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.185 10.529 -13.154 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.329 9.682 -11.844 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.349 11.974 -9.937 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.818 10.339 -9.412 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.905 11.716 -9.112 1.00 0.00 H new ATOM 887 N PRO A 57 2.273 7.794 -11.674 1.00 0.00 N ATOM 888 CA PRO A 57 1.708 7.477 -10.364 1.00 0.00 C ATOM 889 C PRO A 57 2.801 7.231 -9.309 1.00 0.00 C ATOM 890 O PRO A 57 3.983 7.319 -9.607 1.00 0.00 O ATOM 891 CB PRO A 57 0.815 6.252 -10.616 1.00 0.00 C ATOM 892 CG PRO A 57 1.370 5.602 -11.875 1.00 0.00 C ATOM 893 CD PRO A 57 1.946 6.774 -12.655 1.00 0.00 C ATOM 0 HA PRO A 57 1.132 8.303 -9.946 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.845 5.563 -9.772 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.226 6.545 -10.751 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.134 4.861 -11.641 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.591 5.089 -12.439 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.833 6.472 -13.213 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.225 7.150 -13.381 1.00 0.00 H new ATOM 901 N THR A 58 2.407 6.931 -8.077 1.00 0.00 N ATOM 902 CA THR A 58 3.265 6.434 -7.009 1.00 0.00 C ATOM 903 C THR A 58 2.569 5.181 -6.470 1.00 0.00 C ATOM 904 O THR A 58 1.370 5.218 -6.184 1.00 0.00 O ATOM 905 CB THR A 58 3.468 7.572 -5.982 1.00 0.00 C ATOM 906 OG1 THR A 58 4.537 8.389 -6.407 1.00 0.00 O ATOM 907 CG2 THR A 58 3.798 7.156 -4.545 1.00 0.00 C ATOM 0 H THR A 58 1.436 7.032 -7.782 1.00 0.00 H new ATOM 0 HA THR A 58 4.270 6.149 -7.321 1.00 0.00 H new ATOM 0 HB THR A 58 2.497 8.066 -5.950 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.880 8.901 -5.645 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.916 8.046 -3.927 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.989 6.543 -4.149 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.725 6.583 -4.536 1.00 0.00 H new ATOM 915 N ILE A 59 3.262 4.043 -6.391 1.00 0.00 N ATOM 916 CA ILE A 59 2.747 2.813 -5.800 1.00 0.00 C ATOM 917 C ILE A 59 3.821 2.351 -4.808 1.00 0.00 C ATOM 918 O ILE A 59 4.977 2.770 -4.869 1.00 0.00 O ATOM 919 CB ILE A 59 2.412 1.764 -6.895 1.00 0.00 C ATOM 920 CG1 ILE A 59 1.393 2.316 -7.925 1.00 0.00 C ATOM 921 CG2 ILE A 59 1.821 0.471 -6.290 1.00 0.00 C ATOM 922 CD1 ILE A 59 2.049 2.910 -9.173 1.00 0.00 C ATOM 0 H ILE A 59 4.215 3.952 -6.744 1.00 0.00 H new ATOM 0 HA ILE A 59 1.802 2.964 -5.278 1.00 0.00 H new ATOM 0 HB ILE A 59 3.357 1.541 -7.391 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.720 1.513 -8.225 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.782 3.081 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.600 -0.237 -7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.542 0.029 -5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.903 0.708 -5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.277 3.277 -9.850 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.700 3.735 -8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.637 2.142 -9.675 1.00 0.00 H new ATOM 934 N VAL A 60 3.461 1.451 -3.909 1.00 0.00 N ATOM 935 CA VAL A 60 4.355 0.723 -3.036 1.00 0.00 C ATOM 936 C VAL A 60 3.774 -0.690 -3.054 1.00 0.00 C ATOM 937 O VAL A 60 2.552 -0.830 -2.978 1.00 0.00 O ATOM 938 CB VAL A 60 4.408 1.386 -1.638 1.00 0.00 C ATOM 939 CG1 VAL A 60 5.507 0.777 -0.759 1.00 0.00 C ATOM 940 CG2 VAL A 60 4.670 2.903 -1.718 1.00 0.00 C ATOM 0 H VAL A 60 2.484 1.198 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 60 5.400 0.716 -3.348 1.00 0.00 H new ATOM 0 HB VAL A 60 3.427 1.203 -1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.510 1.270 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.317 -0.288 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.476 0.915 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.698 3.321 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.625 3.082 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.872 3.380 -2.287 1.00 0.00 H new ATOM 950 N ILE A 61 4.605 -1.711 -3.278 1.00 0.00 N ATOM 951 CA ILE A 61 4.238 -3.129 -3.093 1.00 0.00 C ATOM 952 C ILE A 61 4.772 -3.608 -1.735 1.00 0.00 C ATOM 953 O ILE A 61 5.088 -2.743 -0.924 1.00 0.00 O ATOM 954 CB ILE A 61 4.701 -3.974 -4.300 1.00 0.00 C ATOM 955 CG1 ILE A 61 6.227 -3.897 -4.533 1.00 0.00 C ATOM 956 CG2 ILE A 61 3.865 -3.543 -5.519 1.00 0.00 C ATOM 957 CD1 ILE A 61 6.725 -4.954 -5.522 1.00 0.00 C ATOM 0 H ILE A 61 5.565 -1.581 -3.597 1.00 0.00 H new ATOM 0 HA ILE A 61 3.155 -3.252 -3.066 1.00 0.00 H new ATOM 0 HB ILE A 61 4.527 -5.032 -4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.484 -2.906 -4.906 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.743 -4.023 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.168 -4.122 -6.391 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.809 -3.718 -5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.026 -2.483 -5.714 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.803 -4.855 -5.649 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.495 -5.948 -5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.232 -4.813 -6.484 1.00 0.00 H new ATOM 969 N ASN A 62 4.889 -4.934 -1.498 1.00 0.00 N ATOM 970 CA ASN A 62 5.273 -5.598 -0.236 1.00 0.00 C ATOM 971 C ASN A 62 6.017 -4.699 0.745 1.00 0.00 C ATOM 972 O ASN A 62 5.575 -4.547 1.886 1.00 0.00 O ATOM 973 CB ASN A 62 6.052 -6.898 -0.530 1.00 0.00 C ATOM 974 CG ASN A 62 6.272 -7.784 0.700 1.00 0.00 C ATOM 975 OD1 ASN A 62 6.598 -7.319 1.784 1.00 0.00 O ATOM 976 ND2 ASN A 62 6.068 -9.081 0.561 1.00 0.00 N ATOM 0 H ASN A 62 4.704 -5.614 -2.236 1.00 0.00 H new ATOM 0 HA ASN A 62 4.343 -5.848 0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.513 -7.470 -1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.021 -6.640 -0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.182 -9.704 1.361 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.796 -9.460 -0.346 1.00 0.00 H new ATOM 983 N GLY A 63 7.133 -4.111 0.305 1.00 0.00 N ATOM 984 CA GLY A 63 7.680 -2.913 0.927 1.00 0.00 C ATOM 985 C GLY A 63 8.080 -1.845 -0.098 1.00 0.00 C ATOM 986 O GLY A 63 8.370 -0.721 0.300 1.00 0.00 O ATOM 0 H GLY A 63 7.676 -4.453 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.942 -2.495 1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.552 -3.183 1.523 1.00 0.00 H new ATOM 990 N ASP A 64 8.165 -2.177 -1.391 1.00 0.00 N ATOM 991 CA ASP A 64 8.935 -1.407 -2.369 1.00 0.00 C ATOM 992 C ASP A 64 8.112 -0.331 -3.068 1.00 0.00 C ATOM 993 O ASP A 64 7.210 -0.650 -3.853 1.00 0.00 O ATOM 994 CB ASP A 64 9.575 -2.325 -3.414 1.00 0.00 C ATOM 995 CG ASP A 64 10.509 -3.374 -2.821 1.00 0.00 C ATOM 996 OD1 ASP A 64 11.234 -3.082 -1.837 1.00 0.00 O ATOM 997 OD2 ASP A 64 10.504 -4.511 -3.351 1.00 0.00 O ATOM 0 H ASP A 64 7.698 -2.992 -1.789 1.00 0.00 H new ATOM 0 HA ASP A 64 9.715 -0.902 -1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.787 -2.829 -3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.132 -1.716 -4.126 1.00 0.00 H new ATOM 1002 N VAL A 65 8.457 0.933 -2.815 1.00 0.00 N ATOM 1003 CA VAL A 65 8.034 2.097 -3.589 1.00 0.00 C ATOM 1004 C VAL A 65 8.495 1.891 -5.039 1.00 0.00 C ATOM 1005 O VAL A 65 9.645 1.502 -5.255 1.00 0.00 O ATOM 1006 CB VAL A 65 8.658 3.364 -2.954 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.467 4.623 -3.810 1.00 0.00 C ATOM 1008 CG2 VAL A 65 8.185 3.683 -1.526 1.00 0.00 C ATOM 0 H VAL A 65 9.063 1.181 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 65 6.951 2.220 -3.584 1.00 0.00 H new ATOM 0 HB VAL A 65 9.714 3.099 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.926 5.476 -3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.936 4.476 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.402 4.813 -3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.680 4.587 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.106 3.836 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.434 2.852 -0.866 1.00 0.00 H new ATOM 1018 N GLU A 66 7.629 2.169 -6.020 1.00 0.00 N ATOM 1019 CA GLU A 66 7.878 2.087 -7.462 1.00 0.00 C ATOM 1020 C GLU A 66 6.596 2.538 -8.189 1.00 0.00 C ATOM 1021 O GLU A 66 5.528 2.632 -7.582 1.00 0.00 O ATOM 1022 CB GLU A 66 8.243 0.635 -7.850 1.00 0.00 C ATOM 1023 CG GLU A 66 8.590 0.460 -9.341 1.00 0.00 C ATOM 1024 CD GLU A 66 9.706 -0.544 -9.628 1.00 0.00 C ATOM 1025 OE1 GLU A 66 9.526 -1.758 -9.389 1.00 0.00 O ATOM 1026 OE2 GLU A 66 10.746 -0.105 -10.182 1.00 0.00 O ATOM 0 H GLU A 66 6.678 2.476 -5.815 1.00 0.00 H new ATOM 0 HA GLU A 66 8.711 2.729 -7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.092 0.310 -7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.407 -0.019 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.692 0.146 -9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.879 1.429 -9.748 1.00 0.00 H new ATOM 1033 N PHE A 67 6.635 2.757 -9.503 1.00 0.00 N ATOM 1034 CA PHE A 67 5.475 3.135 -10.295 1.00 0.00 C ATOM 1035 C PHE A 67 5.795 2.776 -11.734 1.00 0.00 C ATOM 1036 O PHE A 67 6.944 2.914 -12.164 1.00 0.00 O ATOM 1037 CB PHE A 67 5.158 4.626 -10.146 1.00 0.00 C ATOM 1038 CG PHE A 67 5.967 5.560 -11.021 1.00 0.00 C ATOM 1039 CD1 PHE A 67 5.512 5.845 -12.321 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.156 6.143 -10.549 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.242 6.706 -13.150 1.00 0.00 C ATOM 1042 CE2 PHE A 67 7.898 6.991 -11.389 1.00 0.00 C ATOM 1043 CZ PHE A 67 7.442 7.268 -12.692 1.00 0.00 C ATOM 0 H PHE A 67 7.490 2.674 -10.052 1.00 0.00 H new ATOM 0 HA PHE A 67 4.585 2.605 -9.955 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.101 4.777 -10.365 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.312 4.909 -9.105 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.597 5.399 -12.681 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.498 5.940 -9.545 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.881 6.937 -14.141 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.819 7.431 -11.035 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.017 7.914 -13.339 1.00 0.00 H new ATOM 1053 N ILE A 68 4.807 2.244 -12.450 1.00 0.00 N ATOM 1054 CA ILE A 68 4.952 1.739 -13.804 1.00 0.00 C ATOM 1055 C ILE A 68 3.580 1.909 -14.438 1.00 0.00 C ATOM 1056 O ILE A 68 2.590 1.528 -13.811 1.00 0.00 O ATOM 1057 CB ILE A 68 5.371 0.242 -13.822 1.00 0.00 C ATOM 1058 CG1 ILE A 68 6.130 -0.192 -12.550 1.00 0.00 C ATOM 1059 CG2 ILE A 68 6.160 -0.020 -15.116 1.00 0.00 C ATOM 1060 CD1 ILE A 68 6.788 -1.551 -12.594 1.00 0.00 C ATOM 0 H ILE A 68 3.857 2.152 -12.089 1.00 0.00 H new ATOM 0 HA ILE A 68 5.733 2.276 -14.342 1.00 0.00 H new ATOM 0 HB ILE A 68 4.476 -0.380 -13.815 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.897 0.553 -12.339 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.432 -0.177 -11.713 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.465 -1.066 -15.151 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.531 0.203 -15.977 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.044 0.617 -15.138 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.289 -1.744 -11.645 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.031 -2.316 -12.767 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.519 -1.575 -13.402 1.00 0.00 H new ATOM 1072 N GLY A 69 3.533 2.437 -15.659 1.00 0.00 N ATOM 1073 CA GLY A 69 2.303 2.651 -16.400 1.00 0.00 C ATOM 1074 C GLY A 69 1.654 3.992 -16.056 1.00 0.00 C ATOM 1075 O GLY A 69 2.143 4.748 -15.213 1.00 0.00 O ATOM 0 H GLY A 69 4.367 2.732 -16.166 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.512 2.613 -17.469 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.604 1.843 -16.183 1.00 0.00 H new ATOM 1079 N ALA A 70 0.570 4.302 -16.769 1.00 0.00 N ATOM 1080 CA ALA A 70 -0.383 5.351 -16.420 1.00 0.00 C ATOM 1081 C ALA A 70 -1.364 4.923 -15.306 1.00 0.00 C ATOM 1082 O ALA A 70 -1.647 5.753 -14.436 1.00 0.00 O ATOM 1083 CB ALA A 70 -1.145 5.798 -17.674 1.00 0.00 C ATOM 0 H ALA A 70 0.326 3.814 -17.631 1.00 0.00 H new ATOM 0 HA ALA A 70 0.187 6.190 -16.021 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.855 6.581 -17.408 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.440 6.182 -18.411 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.682 4.948 -18.095 1.00 0.00 H new ATOM 1089 N PRO A 71 -1.938 3.696 -15.293 1.00 0.00 N ATOM 1090 CA PRO A 71 -2.612 3.185 -14.106 1.00 0.00 C ATOM 1091 C PRO A 71 -1.569 2.857 -13.031 1.00 0.00 C ATOM 1092 O PRO A 71 -0.378 3.097 -13.195 1.00 0.00 O ATOM 1093 CB PRO A 71 -3.393 1.953 -14.581 1.00 0.00 C ATOM 1094 CG PRO A 71 -2.494 1.392 -15.672 1.00 0.00 C ATOM 1095 CD PRO A 71 -1.930 2.657 -16.320 1.00 0.00 C ATOM 0 HA PRO A 71 -3.294 3.903 -13.651 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.548 1.236 -13.775 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.378 2.220 -14.964 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.706 0.760 -15.263 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.052 0.785 -16.385 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.919 2.485 -16.688 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.535 2.955 -17.177 1.00 0.00 H new ATOM 1103 N THR A 72 -2.020 2.313 -11.904 1.00 0.00 N ATOM 1104 CA THR A 72 -1.149 1.793 -10.860 1.00 0.00 C ATOM 1105 C THR A 72 -0.302 0.607 -11.380 1.00 0.00 C ATOM 1106 O THR A 72 -0.373 0.271 -12.558 1.00 0.00 O ATOM 1107 CB THR A 72 -2.037 1.499 -9.640 1.00 0.00 C ATOM 1108 OG1 THR A 72 -3.254 0.865 -10.007 1.00 0.00 O ATOM 1109 CG2 THR A 72 -2.418 2.824 -8.959 1.00 0.00 C ATOM 0 H THR A 72 -3.013 2.221 -11.690 1.00 0.00 H new ATOM 0 HA THR A 72 -0.394 2.514 -10.548 1.00 0.00 H new ATOM 0 HB THR A 72 -1.467 0.843 -8.982 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.715 0.551 -9.201 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.048 2.620 -8.093 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.514 3.340 -8.636 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.963 3.452 -9.664 1.00 0.00 H new ATOM 1117 N LYS A 73 0.495 -0.039 -10.513 1.00 0.00 N ATOM 1118 CA LYS A 73 1.673 -0.868 -10.840 1.00 0.00 C ATOM 1119 C LYS A 73 1.345 -2.209 -11.521 1.00 0.00 C ATOM 1120 O LYS A 73 2.035 -3.191 -11.271 1.00 0.00 O ATOM 1121 CB LYS A 73 2.466 -1.056 -9.536 1.00 0.00 C ATOM 1122 CG LYS A 73 3.871 -1.651 -9.698 1.00 0.00 C ATOM 1123 CD LYS A 73 4.940 -0.721 -9.139 1.00 0.00 C ATOM 1124 CE LYS A 73 4.929 -0.634 -7.607 1.00 0.00 C ATOM 1125 NZ LYS A 73 5.773 -1.651 -6.947 1.00 0.00 N ATOM 0 H LYS A 73 0.327 0.004 -9.508 1.00 0.00 H new ATOM 0 HA LYS A 73 2.267 -0.349 -11.593 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.555 -0.088 -9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.891 -1.701 -8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.921 -2.613 -9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.068 -1.840 -10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.920 -1.065 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.796 0.277 -9.554 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.268 0.357 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.904 -0.741 -7.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.812 -1.460 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.368 -2.595 -7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.734 -1.615 -7.343 1.00 0.00 H new ATOM 1139 N GLU A 74 0.303 -2.314 -12.339 1.00 0.00 N ATOM 1140 CA GLU A 74 -0.187 -3.558 -12.914 1.00 0.00 C ATOM 1141 C GLU A 74 0.913 -4.312 -13.679 1.00 0.00 C ATOM 1142 O GLU A 74 0.960 -5.544 -13.629 1.00 0.00 O ATOM 1143 CB GLU A 74 -1.392 -3.259 -13.807 1.00 0.00 C ATOM 1144 CG GLU A 74 -2.245 -4.512 -14.053 1.00 0.00 C ATOM 1145 CD GLU A 74 -2.946 -4.413 -15.402 1.00 0.00 C ATOM 1146 OE1 GLU A 74 -3.640 -3.401 -15.648 1.00 0.00 O ATOM 1147 OE2 GLU A 74 -2.751 -5.311 -16.250 1.00 0.00 O ATOM 0 H GLU A 74 -0.243 -1.503 -12.630 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.499 -4.218 -12.105 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.006 -2.487 -13.343 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.047 -2.861 -14.761 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.615 -5.401 -14.026 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.983 -4.621 -13.258 1.00 0.00 H new ATOM 1154 N ALA A 75 1.821 -3.575 -14.330 1.00 0.00 N ATOM 1155 CA ALA A 75 2.990 -4.118 -15.012 1.00 0.00 C ATOM 1156 C ALA A 75 3.819 -5.014 -14.088 1.00 0.00 C ATOM 1157 O ALA A 75 4.211 -6.106 -14.490 1.00 0.00 O ATOM 1158 CB ALA A 75 3.855 -2.966 -15.530 1.00 0.00 C ATOM 0 H ALA A 75 1.757 -2.559 -14.396 1.00 0.00 H new ATOM 0 HA ALA A 75 2.644 -4.731 -15.844 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.730 -3.369 -16.040 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.275 -2.360 -16.227 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.177 -2.347 -14.692 1.00 0.00 H new ATOM 1164 N LEU A 76 4.115 -4.554 -12.867 1.00 0.00 N ATOM 1165 CA LEU A 76 4.802 -5.384 -11.876 1.00 0.00 C ATOM 1166 C LEU A 76 3.818 -6.295 -11.153 1.00 0.00 C ATOM 1167 O LEU A 76 4.232 -7.359 -10.726 1.00 0.00 O ATOM 1168 CB LEU A 76 5.587 -4.519 -10.861 1.00 0.00 C ATOM 1169 CG LEU A 76 7.079 -4.873 -10.674 1.00 0.00 C ATOM 1170 CD1 LEU A 76 7.262 -6.129 -9.823 1.00 0.00 C ATOM 1171 CD2 LEU A 76 7.865 -5.020 -11.985 1.00 0.00 C ATOM 0 H LEU A 76 3.889 -3.613 -12.544 1.00 0.00 H new ATOM 0 HA LEU A 76 5.519 -6.007 -12.411 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.519 -3.477 -11.174 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.093 -4.594 -9.892 1.00 0.00 H new ATOM 0 HG LEU A 76 7.497 -4.012 -10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.325 -6.344 -9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.823 -5.969 -8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.769 -6.972 -10.307 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.902 -5.269 -11.761 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.423 -5.814 -12.587 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.828 -4.082 -12.539 1.00 0.00 H new ATOM 1183 N VAL A 77 2.543 -5.931 -10.993 1.00 0.00 N ATOM 1184 CA VAL A 77 1.580 -6.730 -10.232 1.00 0.00 C ATOM 1185 C VAL A 77 1.447 -8.129 -10.858 1.00 0.00 C ATOM 1186 O VAL A 77 1.480 -9.142 -10.152 1.00 0.00 O ATOM 1187 CB VAL A 77 0.252 -5.945 -10.038 1.00 0.00 C ATOM 1188 CG1 VAL A 77 -0.955 -6.424 -10.858 1.00 0.00 C ATOM 1189 CG2 VAL A 77 -0.146 -5.881 -8.561 1.00 0.00 C ATOM 0 H VAL A 77 2.150 -5.076 -11.387 1.00 0.00 H new ATOM 0 HA VAL A 77 1.938 -6.908 -9.218 1.00 0.00 H new ATOM 0 HB VAL A 77 0.496 -4.957 -10.428 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.818 -5.797 -10.635 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.723 -6.356 -11.921 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.182 -7.459 -10.601 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.078 -5.326 -8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.282 -6.892 -8.177 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.639 -5.380 -7.994 1.00 0.00 H new ATOM 1199 N GLU A 78 1.434 -8.193 -12.197 1.00 0.00 N ATOM 1200 CA GLU A 78 1.373 -9.463 -12.911 1.00 0.00 C ATOM 1201 C GLU A 78 2.597 -10.353 -12.642 1.00 0.00 C ATOM 1202 O GLU A 78 2.560 -11.540 -12.967 1.00 0.00 O ATOM 1203 CB GLU A 78 1.122 -9.222 -14.412 1.00 0.00 C ATOM 1204 CG GLU A 78 2.363 -8.901 -15.258 1.00 0.00 C ATOM 1205 CD GLU A 78 2.972 -10.151 -15.897 1.00 0.00 C ATOM 1206 OE1 GLU A 78 2.364 -10.711 -16.840 1.00 0.00 O ATOM 1207 OE2 GLU A 78 4.077 -10.578 -15.489 1.00 0.00 O ATOM 0 H GLU A 78 1.465 -7.373 -12.803 1.00 0.00 H new ATOM 0 HA GLU A 78 0.525 -10.026 -12.522 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.643 -10.109 -14.827 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.414 -8.400 -14.514 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.093 -8.191 -16.040 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.111 -8.415 -14.631 1.00 0.00 H new ATOM 1214 N ALA A 79 3.654 -9.806 -12.036 1.00 0.00 N ATOM 1215 CA ALA A 79 4.867 -10.485 -11.631 1.00 0.00 C ATOM 1216 C ALA A 79 4.932 -10.655 -10.107 1.00 0.00 C ATOM 1217 O ALA A 79 5.353 -11.724 -9.673 1.00 0.00 O ATOM 1218 CB ALA A 79 6.070 -9.705 -12.169 1.00 0.00 C ATOM 0 H ALA A 79 3.677 -8.813 -11.805 1.00 0.00 H new ATOM 0 HA ALA A 79 4.878 -11.491 -12.051 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.991 -10.206 -11.871 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.017 -9.660 -13.257 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.059 -8.694 -11.763 1.00 0.00 H new ATOM 1224 N ILE A 80 4.481 -9.703 -9.270 1.00 0.00 N ATOM 1225 CA ILE A 80 4.407 -9.916 -7.827 1.00 0.00 C ATOM 1226 C ILE A 80 3.562 -11.146 -7.518 1.00 0.00 C ATOM 1227 O ILE A 80 3.936 -11.915 -6.634 1.00 0.00 O ATOM 1228 CB ILE A 80 3.968 -8.678 -7.020 1.00 0.00 C ATOM 1229 CG1 ILE A 80 2.439 -8.463 -6.943 1.00 0.00 C ATOM 1230 CG2 ILE A 80 4.759 -7.428 -7.437 1.00 0.00 C ATOM 1231 CD1 ILE A 80 2.039 -7.164 -6.247 1.00 0.00 C ATOM 0 H ILE A 80 4.164 -8.783 -9.575 1.00 0.00 H new ATOM 0 HA ILE A 80 5.427 -10.099 -7.488 1.00 0.00 H new ATOM 0 HB ILE A 80 4.232 -8.886 -5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.029 -8.466 -7.953 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.989 -9.303 -6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.425 -6.573 -6.849 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.822 -7.595 -7.263 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.592 -7.228 -8.495 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.952 -7.080 -6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.419 -7.167 -5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.460 -6.317 -6.788 1.00 0.00 H new ATOM 1243 N LYS A 81 2.521 -11.395 -8.329 1.00 0.00 N ATOM 1244 CA LYS A 81 1.671 -12.561 -8.133 1.00 0.00 C ATOM 1245 C LYS A 81 2.450 -13.879 -8.077 1.00 0.00 C ATOM 1246 O LYS A 81 2.009 -14.821 -7.418 1.00 0.00 O ATOM 1247 CB LYS A 81 0.524 -12.568 -9.154 1.00 0.00 C ATOM 1248 CG LYS A 81 0.903 -13.185 -10.507 1.00 0.00 C ATOM 1249 CD LYS A 81 -0.202 -12.927 -11.535 1.00 0.00 C ATOM 1250 CE LYS A 81 -0.141 -13.835 -12.767 1.00 0.00 C ATOM 1251 NZ LYS A 81 1.180 -13.912 -13.426 1.00 0.00 N ATOM 0 H LYS A 81 2.256 -10.805 -9.118 1.00 0.00 H new ATOM 0 HA LYS A 81 1.223 -12.478 -7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.318 -13.120 -8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.186 -11.544 -9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.843 -12.759 -10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.061 -14.258 -10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.170 -13.056 -11.051 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.144 -11.888 -11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.442 -14.841 -12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.872 -13.483 -13.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.056 -14.186 -14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.647 -12.984 -13.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.768 -14.621 -12.943 1.00 0.00 H new ATOM 1265 N LYS A 82 3.533 -14.018 -8.851 1.00 0.00 N ATOM 1266 CA LYS A 82 4.471 -15.137 -8.739 1.00 0.00 C ATOM 1267 C LYS A 82 5.632 -14.867 -7.782 1.00 0.00 C ATOM 1268 O LYS A 82 6.191 -15.813 -7.231 1.00 0.00 O ATOM 1269 CB LYS A 82 4.871 -15.657 -10.130 1.00 0.00 C ATOM 1270 CG LYS A 82 5.630 -14.693 -11.051 1.00 0.00 C ATOM 1271 CD LYS A 82 7.150 -14.597 -10.848 1.00 0.00 C ATOM 1272 CE LYS A 82 7.971 -15.602 -11.673 1.00 0.00 C ATOM 1273 NZ LYS A 82 7.782 -17.014 -11.271 1.00 0.00 N ATOM 0 H LYS A 82 3.784 -13.349 -9.579 1.00 0.00 H new ATOM 0 HA LYS A 82 3.952 -15.963 -8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.486 -16.547 -9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.964 -15.972 -10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.443 -14.990 -12.083 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.206 -13.697 -10.924 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.474 -13.588 -11.102 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.372 -14.747 -9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.704 -15.496 -12.724 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.028 -15.349 -11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.476 -17.611 -11.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.917 -17.103 -10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.820 -17.321 -11.522 1.00 0.00 H new ATOM 1287 N ARG A 83 6.072 -13.608 -7.661 1.00 0.00 N ATOM 1288 CA ARG A 83 7.296 -13.213 -6.959 1.00 0.00 C ATOM 1289 C ARG A 83 7.347 -13.787 -5.551 1.00 0.00 C ATOM 1290 O ARG A 83 8.246 -14.590 -5.288 1.00 0.00 O ATOM 1291 CB ARG A 83 7.481 -11.682 -6.979 1.00 0.00 C ATOM 1292 CG ARG A 83 8.914 -11.211 -6.683 1.00 0.00 C ATOM 1293 CD ARG A 83 9.256 -11.017 -5.197 1.00 0.00 C ATOM 1294 NE ARG A 83 10.714 -11.057 -4.992 1.00 0.00 N ATOM 1295 CZ ARG A 83 11.315 -11.540 -3.897 1.00 0.00 C ATOM 1296 NH1 ARG A 83 10.691 -11.564 -2.726 1.00 0.00 N ATOM 1297 NH2 ARG A 83 12.551 -12.024 -3.962 1.00 0.00 N ATOM 0 H ARG A 83 5.571 -12.815 -8.061 1.00 0.00 H new ATOM 0 HA ARG A 83 8.142 -13.642 -7.497 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.183 -11.305 -7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.807 -11.237 -6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.610 -11.935 -7.106 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.082 -10.267 -7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.860 -10.063 -4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.778 -11.796 -4.603 1.00 0.00 H new ATOM 0 HE ARG A 83 11.308 -10.691 -5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.737 -11.211 -2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.165 -11.936 -1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.050 -12.030 -4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.000 -12.390 -3.122 1.00 0.00 H new