USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 755 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 76 MET CE :methyl 160:sc= -0.113 (180deg=-0.557) USER MOD Set 1.2: A 80 THR OG1 : rot 47:sc= 0.897 USER MOD Set 1.3: A 91 THR OG1 : rot -128:sc= 0.0265 USER MOD Set 2.1: A 43 LYS NZ :NH3+ 153:sc= 0.242 (180deg=0) USER MOD Set 2.2: A 67 THR OG1 : rot 180:sc= 0.233 USER MOD Single : A 3 HIS : no HD1:sc= -0.0469 X(o=-0.047,f=0) USER MOD Single : A 5 THR OG1 : rot -128:sc= 0.216 USER MOD Single : A 9 CYS SG : rot 86:sc= 0.704 USER MOD Single : A 11 MET CE :methyl 173:sc= -0.497 (180deg=-0.595) USER MOD Single : A 12 ASN : amide:sc= -1.59 K(o=-1.6,f=-1) USER MOD Single : A 13 MET CE :methyl -136:sc= -2.82! (180deg=-8.25!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -102:sc= 0.116! USER MOD Single : A 37 SER OG : rot 94:sc= 1.24 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 78:sc= 1.14 USER MOD Single : A 73 GLN : amide:sc= -0.485 X(o=-0.48,f=-0.78) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 83 LYS NZ :NH3+ -162:sc= 1.01 (180deg=0.702) USER MOD Single : A 86 ASN : amide:sc= 0.718 K(o=0.72,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 167:sc= 0.468 USER MOD Single : A 98 SER OG : rot 40:sc= 0.265 USER MOD Single : A 99 TYR OH : rot 146:sc= 0.368 USER MOD Single : A 100 HIS : no HD1:sc=-0.00225 X(o=-0.0022,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 15 N HIS A 3 12.572 15.070 1.459 1.00 0.00 N ATOM 16 CA HIS A 3 11.528 16.030 1.124 1.00 0.00 C ATOM 17 C HIS A 3 10.159 15.345 0.979 1.00 0.00 C ATOM 18 O HIS A 3 10.107 14.184 0.558 1.00 0.00 O ATOM 19 CB HIS A 3 11.907 16.759 -0.174 1.00 0.00 C ATOM 20 CG HIS A 3 12.093 15.868 -1.375 1.00 0.00 C ATOM 21 ND1 HIS A 3 13.275 15.303 -1.796 1.00 0.00 N ATOM 22 CD2 HIS A 3 11.131 15.540 -2.288 1.00 0.00 C ATOM 23 CE1 HIS A 3 13.038 14.653 -2.945 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.743 14.779 -3.289 1.00 0.00 N ATOM 0 HA HIS A 3 11.445 16.751 1.937 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.132 17.492 -0.401 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.830 17.313 -0.005 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.088 15.818 -2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.778 14.108 -3.512 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.294 14.394 -4.120 1.00 0.00 H new ATOM 32 N PRO A 4 9.052 16.048 1.272 1.00 0.00 N ATOM 33 CA PRO A 4 7.717 15.566 0.963 1.00 0.00 C ATOM 34 C PRO A 4 7.472 15.647 -0.541 1.00 0.00 C ATOM 35 O PRO A 4 8.073 16.459 -1.245 1.00 0.00 O ATOM 36 CB PRO A 4 6.763 16.508 1.699 1.00 0.00 C ATOM 37 CG PRO A 4 7.529 17.829 1.696 1.00 0.00 C ATOM 38 CD PRO A 4 8.994 17.411 1.772 1.00 0.00 C ATOM 0 HA PRO A 4 7.577 14.528 1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.804 16.594 1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.554 16.163 2.712 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.325 18.406 0.794 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.249 18.454 2.544 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.619 18.073 1.173 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.362 17.466 2.796 1.00 0.00 H new ATOM 46 N THR A 5 6.520 14.854 -1.003 1.00 0.00 N ATOM 47 CA THR A 5 6.051 14.803 -2.379 1.00 0.00 C ATOM 48 C THR A 5 4.521 14.664 -2.265 1.00 0.00 C ATOM 49 O THR A 5 3.961 14.814 -1.172 1.00 0.00 O ATOM 50 CB THR A 5 6.735 13.616 -3.097 1.00 0.00 C ATOM 51 OG1 THR A 5 6.169 12.479 -2.504 1.00 0.00 O ATOM 52 CG2 THR A 5 8.259 13.540 -2.913 1.00 0.00 C ATOM 0 H THR A 5 6.028 14.195 -0.399 1.00 0.00 H new ATOM 0 HA THR A 5 6.296 15.683 -2.974 1.00 0.00 H new ATOM 0 HB THR A 5 6.580 13.715 -4.171 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.882 11.882 -2.195 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.648 12.676 -3.452 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.718 14.448 -3.303 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.493 13.441 -1.853 1.00 0.00 H new ATOM 60 N GLU A 6 3.821 14.362 -3.358 1.00 0.00 N ATOM 61 CA GLU A 6 2.402 14.029 -3.274 1.00 0.00 C ATOM 62 C GLU A 6 2.159 12.544 -2.978 1.00 0.00 C ATOM 63 O GLU A 6 1.004 12.175 -2.786 1.00 0.00 O ATOM 64 CB GLU A 6 1.662 14.574 -4.503 1.00 0.00 C ATOM 65 CG GLU A 6 1.920 13.811 -5.800 1.00 0.00 C ATOM 66 CD GLU A 6 1.508 14.608 -7.043 1.00 0.00 C ATOM 67 OE1 GLU A 6 0.766 15.617 -6.949 1.00 0.00 O ATOM 68 OE2 GLU A 6 2.093 14.357 -8.120 1.00 0.00 O ATOM 0 H GLU A 6 4.209 14.341 -4.301 1.00 0.00 H new ATOM 0 HA GLU A 6 1.971 14.530 -2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.591 14.563 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.948 15.616 -4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 6 2.979 13.562 -5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.372 12.869 -5.779 1.00 0.00 H new ATOM 75 N VAL A 7 3.180 11.682 -2.875 1.00 0.00 N ATOM 76 CA VAL A 7 2.926 10.295 -2.488 1.00 0.00 C ATOM 77 C VAL A 7 2.835 10.209 -0.960 1.00 0.00 C ATOM 78 O VAL A 7 3.265 11.110 -0.230 1.00 0.00 O ATOM 79 CB VAL A 7 3.961 9.308 -3.069 1.00 0.00 C ATOM 80 CG1 VAL A 7 4.293 9.579 -4.554 1.00 0.00 C ATOM 81 CG2 VAL A 7 5.155 9.064 -2.171 1.00 0.00 C ATOM 0 H VAL A 7 4.158 11.913 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 7 1.973 9.988 -2.920 1.00 0.00 H new ATOM 0 HB VAL A 7 3.466 8.337 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.026 8.851 -4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.385 9.493 -5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.702 10.584 -4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.834 8.360 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.675 10.005 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.817 8.651 -1.221 1.00 0.00 H new ATOM 91 N LEU A 8 2.371 9.069 -0.467 1.00 0.00 N ATOM 92 CA LEU A 8 2.276 8.692 0.928 1.00 0.00 C ATOM 93 C LEU A 8 2.705 7.228 0.997 1.00 0.00 C ATOM 94 O LEU A 8 2.213 6.417 0.222 1.00 0.00 O ATOM 95 CB LEU A 8 0.806 8.875 1.330 1.00 0.00 C ATOM 96 CG LEU A 8 0.490 8.494 2.780 1.00 0.00 C ATOM 97 CD1 LEU A 8 1.038 9.539 3.745 1.00 0.00 C ATOM 98 CD2 LEU A 8 -1.024 8.423 2.988 1.00 0.00 C ATOM 0 H LEU A 8 2.027 8.332 -1.082 1.00 0.00 H new ATOM 0 HA LEU A 8 2.900 9.283 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.527 9.917 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.184 8.275 0.666 1.00 0.00 H new ATOM 0 HG LEU A 8 0.952 7.526 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.802 9.248 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.119 9.611 3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.585 10.507 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.237 8.151 4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.467 9.395 2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.448 7.672 2.321 1.00 0.00 H new ATOM 110 N CYS A 9 3.625 6.859 1.883 1.00 0.00 N ATOM 111 CA CYS A 9 3.973 5.471 2.165 1.00 0.00 C ATOM 112 C CYS A 9 3.264 5.079 3.455 1.00 0.00 C ATOM 113 O CYS A 9 3.322 5.808 4.447 1.00 0.00 O ATOM 114 CB CYS A 9 5.494 5.325 2.298 1.00 0.00 C ATOM 115 SG CYS A 9 5.967 3.618 2.722 1.00 0.00 S ATOM 0 H CYS A 9 4.160 7.529 2.435 1.00 0.00 H new ATOM 0 HA CYS A 9 3.658 4.815 1.354 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.971 5.614 1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.860 6.006 3.066 1.00 0.00 H new ATOM 0 HG CYS A 9 6.075 2.915 1.634 1.00 0.00 H new ATOM 121 N LEU A 10 2.597 3.931 3.453 1.00 0.00 N ATOM 122 CA LEU A 10 1.851 3.388 4.562 1.00 0.00 C ATOM 123 C LEU A 10 2.273 1.942 4.784 1.00 0.00 C ATOM 124 O LEU A 10 2.705 1.242 3.866 1.00 0.00 O ATOM 125 CB LEU A 10 0.353 3.443 4.257 1.00 0.00 C ATOM 126 CG LEU A 10 -0.131 4.755 3.615 1.00 0.00 C ATOM 127 CD1 LEU A 10 -0.098 4.721 2.082 1.00 0.00 C ATOM 128 CD2 LEU A 10 -1.561 4.994 4.059 1.00 0.00 C ATOM 0 H LEU A 10 2.566 3.329 2.630 1.00 0.00 H new ATOM 0 HA LEU A 10 2.053 3.974 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.102 2.616 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.198 3.285 5.184 1.00 0.00 H new ATOM 0 HG LEU A 10 0.542 5.550 3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.451 5.675 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.923 4.545 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.743 3.919 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.929 5.920 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.187 4.163 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.596 5.071 5.146 1.00 0.00 H new ATOM 140 N MET A 11 2.112 1.467 6.014 1.00 0.00 N ATOM 141 CA MET A 11 2.407 0.100 6.404 1.00 0.00 C ATOM 142 C MET A 11 1.271 -0.402 7.286 1.00 0.00 C ATOM 143 O MET A 11 0.554 0.405 7.891 1.00 0.00 O ATOM 144 CB MET A 11 3.733 0.054 7.177 1.00 0.00 C ATOM 145 CG MET A 11 4.946 0.611 6.415 1.00 0.00 C ATOM 146 SD MET A 11 5.807 2.004 7.207 1.00 0.00 S ATOM 147 CE MET A 11 4.643 3.362 6.925 1.00 0.00 C ATOM 0 H MET A 11 1.764 2.039 6.784 1.00 0.00 H new ATOM 0 HA MET A 11 2.500 -0.532 5.521 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.616 0.615 8.104 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.940 -0.980 7.454 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.662 -0.198 6.268 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.616 0.928 5.426 1.00 0.00 H new ATOM 0 HE1 MET A 11 4.980 4.248 7.463 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.592 3.582 5.859 1.00 0.00 H new ATOM 0 HE3 MET A 11 3.655 3.074 7.283 1.00 0.00 H new ATOM 157 N ASN A 12 1.176 -1.727 7.422 1.00 0.00 N ATOM 158 CA ASN A 12 0.276 -2.451 8.324 1.00 0.00 C ATOM 159 C ASN A 12 -1.173 -2.442 7.804 1.00 0.00 C ATOM 160 O ASN A 12 -2.116 -2.572 8.581 1.00 0.00 O ATOM 161 CB ASN A 12 0.316 -1.933 9.780 1.00 0.00 C ATOM 162 CG ASN A 12 1.656 -1.523 10.380 1.00 0.00 C ATOM 163 OD1 ASN A 12 2.744 -1.702 9.828 1.00 0.00 O ATOM 164 ND2 ASN A 12 1.608 -0.908 11.546 1.00 0.00 N ATOM 0 H ASN A 12 1.759 -2.360 6.874 1.00 0.00 H new ATOM 0 HA ASN A 12 0.646 -3.476 8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.350 -1.072 9.842 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.107 -2.709 10.418 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.468 -0.583 11.987 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.710 -0.758 12.007 1.00 0.00 H new ATOM 171 N MET A 13 -1.400 -2.231 6.505 1.00 0.00 N ATOM 172 CA MET A 13 -2.689 -2.553 5.897 1.00 0.00 C ATOM 173 C MET A 13 -2.697 -4.072 5.736 1.00 0.00 C ATOM 174 O MET A 13 -3.110 -4.799 6.638 1.00 0.00 O ATOM 175 CB MET A 13 -2.872 -1.806 4.555 1.00 0.00 C ATOM 176 CG MET A 13 -3.672 -0.515 4.640 1.00 0.00 C ATOM 177 SD MET A 13 -2.721 0.999 4.335 1.00 0.00 S ATOM 178 CE MET A 13 -1.606 0.939 5.743 1.00 0.00 C ATOM 0 H MET A 13 -0.712 -1.842 5.860 1.00 0.00 H new ATOM 0 HA MET A 13 -3.528 -2.231 6.513 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.887 -1.579 4.146 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.364 -2.475 3.849 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.489 -0.564 3.920 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.123 -0.449 5.630 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.534 1.929 6.192 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.989 0.233 6.480 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.618 0.618 5.412 1.00 0.00 H new ATOM 188 N VAL A 14 -2.124 -4.524 4.630 1.00 0.00 N ATOM 189 CA VAL A 14 -2.214 -5.863 4.084 1.00 0.00 C ATOM 190 C VAL A 14 -1.213 -6.797 4.770 1.00 0.00 C ATOM 191 O VAL A 14 -0.331 -6.349 5.519 1.00 0.00 O ATOM 192 CB VAL A 14 -2.006 -5.743 2.553 1.00 0.00 C ATOM 193 CG1 VAL A 14 -3.193 -4.984 1.923 1.00 0.00 C ATOM 194 CG2 VAL A 14 -0.697 -5.011 2.179 1.00 0.00 C ATOM 0 H VAL A 14 -1.543 -3.917 4.052 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.189 -6.312 4.271 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.941 -6.760 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.042 -4.902 0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.118 -5.527 2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.259 -3.986 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.607 -4.958 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.714 -4.002 2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.154 -5.556 2.587 1.00 0.00 H new ATOM 204 N LEU A 15 -1.317 -8.101 4.503 1.00 0.00 N ATOM 205 CA LEU A 15 -0.382 -9.114 4.989 1.00 0.00 C ATOM 206 C LEU A 15 0.352 -9.748 3.810 1.00 0.00 C ATOM 207 O LEU A 15 -0.132 -9.704 2.675 1.00 0.00 O ATOM 208 CB LEU A 15 -1.140 -10.167 5.822 1.00 0.00 C ATOM 209 CG LEU A 15 -1.504 -9.737 7.258 1.00 0.00 C ATOM 210 CD1 LEU A 15 -2.060 -10.955 8.007 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.314 -9.195 8.067 1.00 0.00 C ATOM 0 H LEU A 15 -2.068 -8.488 3.932 1.00 0.00 H new ATOM 0 HA LEU A 15 0.363 -8.650 5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.058 -10.430 5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.532 -11.070 5.874 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.230 -8.929 7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.322 -10.667 9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.948 -11.324 7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.305 -11.741 8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.650 -8.914 9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.453 -9.965 8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.100 -8.321 7.564 1.00 0.00 H new ATOM 223 N PRO A 16 1.513 -10.391 4.042 1.00 0.00 N ATOM 224 CA PRO A 16 2.287 -11.018 2.973 1.00 0.00 C ATOM 225 C PRO A 16 1.597 -12.255 2.377 1.00 0.00 C ATOM 226 O PRO A 16 2.082 -12.798 1.386 1.00 0.00 O ATOM 227 CB PRO A 16 3.643 -11.362 3.602 1.00 0.00 C ATOM 228 CG PRO A 16 3.307 -11.568 5.078 1.00 0.00 C ATOM 229 CD PRO A 16 2.182 -10.570 5.328 1.00 0.00 C ATOM 0 HA PRO A 16 2.394 -10.342 2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.075 -12.259 3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.366 -10.558 3.463 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.988 -12.591 5.278 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.168 -11.371 5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.488 -10.944 6.081 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.575 -9.623 5.699 1.00 0.00 H new ATOM 237 N GLU A 17 0.414 -12.621 2.876 1.00 0.00 N ATOM 238 CA GLU A 17 -0.348 -13.816 2.541 1.00 0.00 C ATOM 239 C GLU A 17 -1.842 -13.531 2.338 1.00 0.00 C ATOM 240 O GLU A 17 -2.648 -14.453 2.415 1.00 0.00 O ATOM 241 CB GLU A 17 -0.116 -14.840 3.653 1.00 0.00 C ATOM 242 CG GLU A 17 -0.542 -14.343 5.050 1.00 0.00 C ATOM 243 CD GLU A 17 -0.136 -15.307 6.161 1.00 0.00 C ATOM 244 OE1 GLU A 17 0.974 -15.881 6.114 1.00 0.00 O ATOM 245 OE2 GLU A 17 -0.893 -15.459 7.149 1.00 0.00 O ATOM 0 H GLU A 17 -0.065 -12.049 3.571 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.001 -14.207 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.667 -15.751 3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.941 -15.104 3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.093 -13.367 5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.623 -14.206 5.069 1.00 0.00 H new ATOM 252 N GLU A 18 -2.233 -12.279 2.089 1.00 0.00 N ATOM 253 CA GLU A 18 -3.636 -11.922 1.863 1.00 0.00 C ATOM 254 C GLU A 18 -3.852 -11.201 0.525 1.00 0.00 C ATOM 255 O GLU A 18 -4.990 -11.088 0.084 1.00 0.00 O ATOM 256 CB GLU A 18 -4.170 -11.136 3.076 1.00 0.00 C ATOM 257 CG GLU A 18 -4.311 -11.972 4.362 1.00 0.00 C ATOM 258 CD GLU A 18 -5.077 -11.213 5.458 1.00 0.00 C ATOM 259 OE1 GLU A 18 -4.627 -10.148 5.944 1.00 0.00 O ATOM 260 OE2 GLU A 18 -6.198 -11.643 5.811 1.00 0.00 O ATOM 0 H GLU A 18 -1.591 -11.488 2.038 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.221 -12.838 1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.502 -10.298 3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.143 -10.715 2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.830 -12.903 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.321 -12.241 4.731 1.00 0.00 H new ATOM 267 N LEU A 19 -2.798 -10.802 -0.193 1.00 0.00 N ATOM 268 CA LEU A 19 -2.868 -10.103 -1.492 1.00 0.00 C ATOM 269 C LEU A 19 -3.138 -11.079 -2.652 1.00 0.00 C ATOM 270 O LEU A 19 -2.649 -10.875 -3.768 1.00 0.00 O ATOM 271 CB LEU A 19 -1.558 -9.335 -1.741 1.00 0.00 C ATOM 272 CG LEU A 19 -1.220 -8.267 -0.690 1.00 0.00 C ATOM 273 CD1 LEU A 19 0.188 -7.702 -0.907 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.254 -7.142 -0.784 1.00 0.00 C ATOM 0 H LEU A 19 -1.839 -10.959 0.118 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.702 -9.402 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.738 -10.051 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.616 -8.856 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.246 -8.723 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.399 -6.949 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.919 -8.507 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.249 -7.248 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.026 -6.376 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.224 -6.703 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.249 -7.545 -0.595 1.00 0.00 H new ATOM 286 N LEU A 20 -3.822 -12.199 -2.398 1.00 0.00 N ATOM 287 CA LEU A 20 -3.972 -13.286 -3.368 1.00 0.00 C ATOM 288 C LEU A 20 -5.331 -13.224 -4.065 1.00 0.00 C ATOM 289 O LEU A 20 -5.401 -13.462 -5.272 1.00 0.00 O ATOM 290 CB LEU A 20 -3.742 -14.663 -2.720 1.00 0.00 C ATOM 291 CG LEU A 20 -2.314 -14.967 -2.212 1.00 0.00 C ATOM 292 CD1 LEU A 20 -1.200 -14.484 -3.152 1.00 0.00 C ATOM 293 CD2 LEU A 20 -2.054 -14.401 -0.818 1.00 0.00 C ATOM 0 H LEU A 20 -4.289 -12.377 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.201 -13.151 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.429 -14.762 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.014 -15.429 -3.446 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.279 -16.056 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.229 -14.735 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.306 -14.970 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.273 -13.404 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.037 -14.644 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.179 -13.318 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.760 -14.836 -0.111 1.00 0.00 H new ATOM 305 N ASP A 21 -6.395 -12.871 -3.348 1.00 0.00 N ATOM 306 CA ASP A 21 -7.754 -12.797 -3.884 1.00 0.00 C ATOM 307 C ASP A 21 -7.877 -11.602 -4.837 1.00 0.00 C ATOM 308 O ASP A 21 -7.547 -10.470 -4.470 1.00 0.00 O ATOM 309 CB ASP A 21 -8.774 -12.670 -2.741 1.00 0.00 C ATOM 310 CG ASP A 21 -9.102 -14.001 -2.068 1.00 0.00 C ATOM 311 OD1 ASP A 21 -8.206 -14.686 -1.528 1.00 0.00 O ATOM 312 OD2 ASP A 21 -10.287 -14.398 -2.091 1.00 0.00 O ATOM 0 H ASP A 21 -6.337 -12.624 -2.360 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.963 -13.713 -4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.385 -11.979 -1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.693 -12.233 -3.131 1.00 0.00 H new ATOM 317 N ASP A 22 -8.355 -11.839 -6.059 1.00 0.00 N ATOM 318 CA ASP A 22 -8.540 -10.821 -7.103 1.00 0.00 C ATOM 319 C ASP A 22 -9.779 -9.970 -6.811 1.00 0.00 C ATOM 320 O ASP A 22 -9.798 -8.786 -7.147 1.00 0.00 O ATOM 321 CB ASP A 22 -8.683 -11.476 -8.492 1.00 0.00 C ATOM 322 CG ASP A 22 -7.402 -11.426 -9.336 1.00 0.00 C ATOM 323 OD1 ASP A 22 -6.307 -11.733 -8.815 1.00 0.00 O ATOM 324 OD2 ASP A 22 -7.488 -11.163 -10.561 1.00 0.00 O ATOM 0 H ASP A 22 -8.634 -12.772 -6.362 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.657 -10.182 -7.103 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.982 -12.516 -8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.485 -10.979 -9.037 1.00 0.00 H new ATOM 329 N GLU A 23 -10.798 -10.556 -6.167 1.00 0.00 N ATOM 330 CA GLU A 23 -12.100 -9.924 -5.890 1.00 0.00 C ATOM 331 C GLU A 23 -12.123 -9.241 -4.517 1.00 0.00 C ATOM 332 O GLU A 23 -13.181 -8.981 -3.952 1.00 0.00 O ATOM 333 CB GLU A 23 -13.244 -10.957 -5.988 1.00 0.00 C ATOM 334 CG GLU A 23 -13.292 -11.663 -7.334 1.00 0.00 C ATOM 335 CD GLU A 23 -14.613 -12.369 -7.647 1.00 0.00 C ATOM 336 OE1 GLU A 23 -15.324 -12.831 -6.721 1.00 0.00 O ATOM 337 OE2 GLU A 23 -14.931 -12.450 -8.859 1.00 0.00 O ATOM 0 H GLU A 23 -10.740 -11.511 -5.813 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.251 -9.156 -6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.125 -11.699 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -14.196 -10.455 -5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.093 -10.932 -8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.487 -12.397 -7.371 1.00 0.00 H new ATOM 344 N GLU A 24 -10.955 -9.013 -3.930 1.00 0.00 N ATOM 345 CA GLU A 24 -10.772 -8.389 -2.636 1.00 0.00 C ATOM 346 C GLU A 24 -9.827 -7.215 -2.827 1.00 0.00 C ATOM 347 O GLU A 24 -10.154 -6.089 -2.465 1.00 0.00 O ATOM 348 CB GLU A 24 -10.236 -9.469 -1.702 1.00 0.00 C ATOM 349 CG GLU A 24 -9.596 -8.905 -0.441 1.00 0.00 C ATOM 350 CD GLU A 24 -9.487 -10.002 0.606 1.00 0.00 C ATOM 351 OE1 GLU A 24 -10.539 -10.309 1.206 1.00 0.00 O ATOM 352 OE2 GLU A 24 -8.389 -10.586 0.768 1.00 0.00 O ATOM 0 H GLU A 24 -10.071 -9.272 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.688 -7.993 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.052 -10.136 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.502 -10.071 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.608 -8.506 -0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.193 -8.078 -0.056 1.00 0.00 H new ATOM 359 N TYR A 25 -8.697 -7.477 -3.484 1.00 0.00 N ATOM 360 CA TYR A 25 -7.703 -6.494 -3.851 1.00 0.00 C ATOM 361 C TYR A 25 -8.327 -5.227 -4.447 1.00 0.00 C ATOM 362 O TYR A 25 -7.980 -4.119 -4.042 1.00 0.00 O ATOM 363 CB TYR A 25 -6.771 -7.190 -4.843 1.00 0.00 C ATOM 364 CG TYR A 25 -5.758 -6.278 -5.480 1.00 0.00 C ATOM 365 CD1 TYR A 25 -6.103 -5.576 -6.654 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.481 -6.147 -4.906 1.00 0.00 C ATOM 367 CE1 TYR A 25 -5.186 -4.701 -7.254 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.565 -5.265 -5.512 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.914 -4.529 -6.669 1.00 0.00 C ATOM 370 OH TYR A 25 -3.011 -3.689 -7.242 1.00 0.00 O ATOM 0 H TYR A 25 -8.448 -8.420 -3.782 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.159 -6.148 -2.972 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.246 -7.995 -4.328 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.372 -7.651 -5.627 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.080 -5.713 -7.094 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.210 -6.708 -4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.451 -4.165 -8.154 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.579 -5.149 -5.086 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.186 -3.685 -6.713 1.00 0.00 H new ATOM 380 N GLU A 26 -9.216 -5.377 -5.435 1.00 0.00 N ATOM 381 CA GLU A 26 -9.733 -4.231 -6.185 1.00 0.00 C ATOM 382 C GLU A 26 -10.725 -3.402 -5.377 1.00 0.00 C ATOM 383 O GLU A 26 -10.851 -2.193 -5.586 1.00 0.00 O ATOM 384 CB GLU A 26 -10.363 -4.729 -7.493 1.00 0.00 C ATOM 385 CG GLU A 26 -9.653 -4.027 -8.652 1.00 0.00 C ATOM 386 CD GLU A 26 -10.162 -4.457 -10.025 1.00 0.00 C ATOM 387 OE1 GLU A 26 -9.844 -5.588 -10.466 1.00 0.00 O ATOM 388 OE2 GLU A 26 -10.797 -3.637 -10.724 1.00 0.00 O ATOM 0 H GLU A 26 -9.590 -6.278 -5.732 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.898 -3.567 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.258 -5.810 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.431 -4.510 -7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.780 -2.950 -8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.584 -4.230 -8.589 1.00 0.00 H new ATOM 395 N GLU A 27 -11.398 -4.053 -4.441 1.00 0.00 N ATOM 396 CA GLU A 27 -12.255 -3.404 -3.461 1.00 0.00 C ATOM 397 C GLU A 27 -11.386 -2.548 -2.533 1.00 0.00 C ATOM 398 O GLU A 27 -11.680 -1.377 -2.315 1.00 0.00 O ATOM 399 CB GLU A 27 -13.065 -4.440 -2.672 1.00 0.00 C ATOM 400 CG GLU A 27 -13.710 -5.530 -3.544 1.00 0.00 C ATOM 401 CD GLU A 27 -14.593 -5.001 -4.680 1.00 0.00 C ATOM 402 OE1 GLU A 27 -15.333 -4.013 -4.461 1.00 0.00 O ATOM 403 OE2 GLU A 27 -14.629 -5.650 -5.754 1.00 0.00 O ATOM 0 H GLU A 27 -11.363 -5.067 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.972 -2.761 -3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.412 -4.915 -1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.848 -3.925 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.921 -6.148 -3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.311 -6.178 -2.906 1.00 0.00 H new ATOM 410 N ILE A 28 -10.270 -3.099 -2.040 1.00 0.00 N ATOM 411 CA ILE A 28 -9.340 -2.428 -1.130 1.00 0.00 C ATOM 412 C ILE A 28 -8.730 -1.168 -1.777 1.00 0.00 C ATOM 413 O ILE A 28 -8.387 -0.217 -1.063 1.00 0.00 O ATOM 414 CB ILE A 28 -8.286 -3.456 -0.636 1.00 0.00 C ATOM 415 CG1 ILE A 28 -8.960 -4.493 0.296 1.00 0.00 C ATOM 416 CG2 ILE A 28 -7.099 -2.800 0.094 1.00 0.00 C ATOM 417 CD1 ILE A 28 -8.119 -5.750 0.555 1.00 0.00 C ATOM 0 H ILE A 28 -9.983 -4.050 -2.271 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.873 -2.060 -0.253 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.884 -3.946 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.182 -4.016 1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.913 -4.791 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.398 -3.571 0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.594 -2.108 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.463 -2.256 0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.665 -6.423 1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.918 -6.254 -0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.176 -5.467 1.023 1.00 0.00 H new ATOM 429 N VAL A 29 -8.583 -1.111 -3.105 1.00 0.00 N ATOM 430 CA VAL A 29 -8.153 0.126 -3.758 1.00 0.00 C ATOM 431 C VAL A 29 -9.230 1.204 -3.563 1.00 0.00 C ATOM 432 O VAL A 29 -8.917 2.346 -3.219 1.00 0.00 O ATOM 433 CB VAL A 29 -7.829 -0.106 -5.253 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.290 1.178 -5.900 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.757 -1.184 -5.463 1.00 0.00 C ATOM 0 H VAL A 29 -8.752 -1.893 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.229 0.471 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.767 -0.423 -5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.069 0.991 -6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.038 1.967 -5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.380 1.489 -5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.568 -1.306 -6.530 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.836 -0.883 -4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.104 -2.129 -5.045 1.00 0.00 H new ATOM 445 N GLU A 30 -10.494 0.865 -3.805 1.00 0.00 N ATOM 446 CA GLU A 30 -11.603 1.808 -3.834 1.00 0.00 C ATOM 447 C GLU A 30 -12.027 2.220 -2.425 1.00 0.00 C ATOM 448 O GLU A 30 -12.478 3.349 -2.200 1.00 0.00 O ATOM 449 CB GLU A 30 -12.773 1.176 -4.601 1.00 0.00 C ATOM 450 CG GLU A 30 -12.455 0.986 -6.091 1.00 0.00 C ATOM 451 CD GLU A 30 -12.669 2.254 -6.917 1.00 0.00 C ATOM 452 OE1 GLU A 30 -13.775 2.467 -7.462 1.00 0.00 O ATOM 453 OE2 GLU A 30 -11.716 3.047 -7.107 1.00 0.00 O ATOM 0 H GLU A 30 -10.780 -0.096 -3.990 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.283 2.717 -4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.017 0.211 -4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.656 1.807 -4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.420 0.661 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.082 0.189 -6.491 1.00 0.00 H new ATOM 460 N ASP A 31 -11.865 1.315 -1.466 1.00 0.00 N ATOM 461 CA ASP A 31 -12.099 1.527 -0.047 1.00 0.00 C ATOM 462 C ASP A 31 -11.227 2.664 0.474 1.00 0.00 C ATOM 463 O ASP A 31 -11.710 3.585 1.142 1.00 0.00 O ATOM 464 CB ASP A 31 -11.792 0.222 0.690 1.00 0.00 C ATOM 465 CG ASP A 31 -11.998 0.368 2.191 1.00 0.00 C ATOM 466 OD1 ASP A 31 -13.172 0.325 2.631 1.00 0.00 O ATOM 467 OD2 ASP A 31 -11.003 0.470 2.943 1.00 0.00 O ATOM 0 H ASP A 31 -11.551 0.366 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.138 1.809 0.123 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.434 -0.572 0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.763 -0.077 0.490 1.00 0.00 H new ATOM 472 N VAL A 32 -9.947 2.636 0.110 1.00 0.00 N ATOM 473 CA VAL A 32 -8.996 3.657 0.523 1.00 0.00 C ATOM 474 C VAL A 32 -9.194 4.913 -0.334 1.00 0.00 C ATOM 475 O VAL A 32 -8.949 6.034 0.129 1.00 0.00 O ATOM 476 CB VAL A 32 -7.571 3.074 0.444 1.00 0.00 C ATOM 477 CG1 VAL A 32 -6.484 4.131 0.692 1.00 0.00 C ATOM 478 CG2 VAL A 32 -7.415 1.957 1.490 1.00 0.00 C ATOM 0 H VAL A 32 -9.544 1.906 -0.478 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.160 3.959 1.558 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.440 2.689 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.501 3.665 0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.564 4.918 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.614 4.561 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.408 1.545 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.586 2.365 2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.141 1.169 1.292 1.00 0.00 H new ATOM 488 N ARG A 33 -9.665 4.758 -1.575 1.00 0.00 N ATOM 489 CA ARG A 33 -9.936 5.895 -2.441 1.00 0.00 C ATOM 490 C ARG A 33 -10.968 6.807 -1.792 1.00 0.00 C ATOM 491 O ARG A 33 -10.760 8.025 -1.747 1.00 0.00 O ATOM 492 CB ARG A 33 -10.375 5.429 -3.839 1.00 0.00 C ATOM 493 CG ARG A 33 -10.358 6.583 -4.847 1.00 0.00 C ATOM 494 CD ARG A 33 -10.979 6.146 -6.181 1.00 0.00 C ATOM 495 NE ARG A 33 -10.697 7.105 -7.261 1.00 0.00 N ATOM 496 CZ ARG A 33 -11.153 8.357 -7.377 1.00 0.00 C ATOM 497 NH1 ARG A 33 -12.022 8.849 -6.501 1.00 0.00 N ATOM 498 NH2 ARG A 33 -10.737 9.126 -8.373 1.00 0.00 N ATOM 0 H ARG A 33 -9.865 3.851 -1.998 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.019 6.468 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.713 4.634 -4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.378 5.007 -3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.909 7.433 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.333 6.916 -5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.592 5.165 -6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.057 6.041 -6.062 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.083 6.777 -8.007 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.350 8.270 -5.728 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.361 9.806 -6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.068 8.763 -9.052 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.086 10.081 -8.460 1.00 0.00 H new ATOM 512 N ASP A 34 -12.074 6.239 -1.310 1.00 0.00 N ATOM 513 CA ASP A 34 -13.133 7.017 -0.670 1.00 0.00 C ATOM 514 C ASP A 34 -12.612 7.707 0.593 1.00 0.00 C ATOM 515 O ASP A 34 -12.892 8.889 0.822 1.00 0.00 O ATOM 516 CB ASP A 34 -14.336 6.132 -0.320 1.00 0.00 C ATOM 517 CG ASP A 34 -15.379 6.967 0.430 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.909 7.944 -0.138 1.00 0.00 O ATOM 519 OD2 ASP A 34 -15.669 6.693 1.620 1.00 0.00 O ATOM 0 H ASP A 34 -12.259 5.237 -1.352 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.457 7.777 -1.381 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.772 5.715 -1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.016 5.291 0.295 1.00 0.00 H new ATOM 524 N GLU A 35 -11.860 6.986 1.428 1.00 0.00 N ATOM 525 CA GLU A 35 -11.448 7.484 2.735 1.00 0.00 C ATOM 526 C GLU A 35 -10.445 8.633 2.610 1.00 0.00 C ATOM 527 O GLU A 35 -10.537 9.630 3.328 1.00 0.00 O ATOM 528 CB GLU A 35 -10.950 6.336 3.631 1.00 0.00 C ATOM 529 CG GLU A 35 -9.459 5.977 3.572 1.00 0.00 C ATOM 530 CD GLU A 35 -9.164 4.886 4.608 1.00 0.00 C ATOM 531 OE1 GLU A 35 -9.235 5.207 5.820 1.00 0.00 O ATOM 532 OE2 GLU A 35 -8.857 3.741 4.223 1.00 0.00 O ATOM 0 H GLU A 35 -11.523 6.047 1.216 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.322 7.906 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.193 6.587 4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.520 5.442 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.195 5.628 2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.852 6.860 3.772 1.00 0.00 H new ATOM 539 N CYS A 36 -9.462 8.511 1.718 1.00 0.00 N ATOM 540 CA CYS A 36 -8.332 9.429 1.698 1.00 0.00 C ATOM 541 C CYS A 36 -8.663 10.691 0.882 1.00 0.00 C ATOM 542 O CYS A 36 -8.119 11.764 1.159 1.00 0.00 O ATOM 543 CB CYS A 36 -7.114 8.649 1.175 1.00 0.00 C ATOM 544 SG CYS A 36 -5.584 9.248 1.925 1.00 0.00 S ATOM 0 H CYS A 36 -9.429 7.785 1.002 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.100 9.799 2.697 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.238 7.588 1.392 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.054 8.748 0.091 1.00 0.00 H new ATOM 0 HG CYS A 36 -4.955 10.010 1.080 1.00 0.00 H new ATOM 550 N SER A 37 -9.645 10.633 -0.028 1.00 0.00 N ATOM 551 CA SER A 37 -10.206 11.788 -0.710 1.00 0.00 C ATOM 552 C SER A 37 -10.832 12.812 0.255 1.00 0.00 C ATOM 553 O SER A 37 -11.172 13.927 -0.142 1.00 0.00 O ATOM 554 CB SER A 37 -11.229 11.277 -1.722 1.00 0.00 C ATOM 555 OG SER A 37 -10.587 10.487 -2.703 1.00 0.00 O ATOM 0 H SER A 37 -10.077 9.754 -0.312 1.00 0.00 H new ATOM 0 HA SER A 37 -9.403 12.327 -1.213 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.993 10.689 -1.213 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.736 12.118 -2.195 1.00 0.00 H new ATOM 0 HG SER A 37 -10.631 9.543 -2.443 1.00 0.00 H new ATOM 561 N LYS A 38 -10.968 12.504 1.546 1.00 0.00 N ATOM 562 CA LYS A 38 -11.417 13.458 2.557 1.00 0.00 C ATOM 563 C LYS A 38 -10.413 14.590 2.825 1.00 0.00 C ATOM 564 O LYS A 38 -10.759 15.529 3.546 1.00 0.00 O ATOM 565 CB LYS A 38 -11.724 12.684 3.840 1.00 0.00 C ATOM 566 CG LYS A 38 -12.919 11.740 3.666 1.00 0.00 C ATOM 567 CD LYS A 38 -13.214 11.009 4.981 1.00 0.00 C ATOM 568 CE LYS A 38 -14.689 11.101 5.368 1.00 0.00 C ATOM 569 NZ LYS A 38 -14.838 11.081 6.835 1.00 0.00 N ATOM 0 H LYS A 38 -10.767 11.577 1.921 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.311 13.955 2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.847 12.108 4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.931 13.387 4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.796 12.306 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.708 11.016 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.929 9.961 4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.603 11.434 5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.121 12.017 4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.239 10.269 4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.846 11.144 7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.444 10.195 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.329 11.889 7.247 1.00 0.00 H new ATOM 583 N TYR A 39 -9.200 14.538 2.265 1.00 0.00 N ATOM 584 CA TYR A 39 -8.112 15.493 2.539 1.00 0.00 C ATOM 585 C TYR A 39 -7.571 16.153 1.264 1.00 0.00 C ATOM 586 O TYR A 39 -6.661 16.981 1.334 1.00 0.00 O ATOM 587 CB TYR A 39 -6.988 14.783 3.311 1.00 0.00 C ATOM 588 CG TYR A 39 -7.426 14.311 4.684 1.00 0.00 C ATOM 589 CD1 TYR A 39 -8.196 13.139 4.794 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.154 15.083 5.833 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.786 12.801 6.020 1.00 0.00 C ATOM 592 CE2 TYR A 39 -7.679 14.701 7.082 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.534 13.579 7.176 1.00 0.00 C ATOM 594 OH TYR A 39 -9.101 13.265 8.376 1.00 0.00 O ATOM 0 H TYR A 39 -8.938 13.816 1.593 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.521 16.298 3.149 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.640 13.928 2.732 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.142 15.462 3.418 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.333 12.500 3.934 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.542 15.969 5.754 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.437 11.942 6.083 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.429 15.265 7.968 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.812 13.911 9.054 1.00 0.00 H new ATOM 604 N GLY A 40 -8.112 15.806 0.097 1.00 0.00 N ATOM 605 CA GLY A 40 -7.590 16.185 -1.202 1.00 0.00 C ATOM 606 C GLY A 40 -8.109 15.177 -2.194 1.00 0.00 C ATOM 607 O GLY A 40 -9.274 14.790 -2.115 1.00 0.00 O ATOM 0 H GLY A 40 -8.954 15.234 0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.913 17.191 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.500 16.192 -1.193 1.00 0.00 H new ATOM 611 N LEU A 41 -7.267 14.732 -3.118 1.00 0.00 N ATOM 612 CA LEU A 41 -7.649 13.697 -4.057 1.00 0.00 C ATOM 613 C LEU A 41 -6.465 12.758 -4.188 1.00 0.00 C ATOM 614 O LEU A 41 -5.379 13.143 -4.622 1.00 0.00 O ATOM 615 CB LEU A 41 -8.115 14.360 -5.357 1.00 0.00 C ATOM 616 CG LEU A 41 -8.492 13.442 -6.537 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.306 12.931 -7.362 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.379 12.284 -6.070 1.00 0.00 C ATOM 0 H LEU A 41 -6.314 15.076 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.495 13.093 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.981 14.980 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.324 15.030 -5.693 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.056 14.077 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.671 12.294 -8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.765 13.778 -7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.637 12.357 -6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.630 11.652 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.845 11.694 -5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.294 12.681 -5.630 1.00 0.00 H new ATOM 630 N VAL A 42 -6.691 11.529 -3.749 1.00 0.00 N ATOM 631 CA VAL A 42 -5.866 10.376 -4.046 1.00 0.00 C ATOM 632 C VAL A 42 -5.975 10.078 -5.542 1.00 0.00 C ATOM 633 O VAL A 42 -7.003 9.636 -6.064 1.00 0.00 O ATOM 634 CB VAL A 42 -6.186 9.209 -3.093 1.00 0.00 C ATOM 635 CG1 VAL A 42 -7.681 8.982 -2.873 1.00 0.00 C ATOM 636 CG2 VAL A 42 -5.584 7.894 -3.595 1.00 0.00 C ATOM 0 H VAL A 42 -7.487 11.303 -3.153 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.811 10.571 -3.854 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.740 9.505 -2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.825 8.144 -2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.126 9.880 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.160 8.760 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.829 7.092 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.992 7.659 -4.578 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.501 7.994 -3.667 1.00 0.00 H new ATOM 646 N LYS A 43 -4.889 10.393 -6.231 1.00 0.00 N ATOM 647 CA LYS A 43 -4.603 10.077 -7.616 1.00 0.00 C ATOM 648 C LYS A 43 -4.706 8.568 -7.802 1.00 0.00 C ATOM 649 O LYS A 43 -5.592 8.121 -8.529 1.00 0.00 O ATOM 650 CB LYS A 43 -3.218 10.654 -7.940 1.00 0.00 C ATOM 651 CG LYS A 43 -2.830 10.591 -9.420 1.00 0.00 C ATOM 652 CD LYS A 43 -1.641 11.529 -9.709 1.00 0.00 C ATOM 653 CE LYS A 43 -2.032 13.006 -9.712 1.00 0.00 C ATOM 654 NZ LYS A 43 -2.741 13.420 -10.943 1.00 0.00 N ATOM 0 H LYS A 43 -4.128 10.917 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.315 10.520 -8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.187 11.694 -7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.470 10.115 -7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.567 9.568 -9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.682 10.874 -10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.866 11.366 -8.960 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.209 11.271 -10.676 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.667 13.209 -8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.134 13.613 -9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.360 14.229 -10.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.047 13.695 -11.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.315 12.628 -11.296 1.00 0.00 H new ATOM 668 N SER A 44 -3.892 7.785 -7.102 1.00 0.00 N ATOM 669 CA SER A 44 -3.894 6.334 -7.215 1.00 0.00 C ATOM 670 C SER A 44 -3.271 5.690 -5.976 1.00 0.00 C ATOM 671 O SER A 44 -2.813 6.385 -5.066 1.00 0.00 O ATOM 672 CB SER A 44 -3.172 5.949 -8.515 1.00 0.00 C ATOM 673 OG SER A 44 -1.918 6.581 -8.679 1.00 0.00 O ATOM 0 H SER A 44 -3.208 8.144 -6.436 1.00 0.00 H new ATOM 0 HA SER A 44 -4.915 5.956 -7.263 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.029 4.869 -8.534 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.809 6.202 -9.362 1.00 0.00 H new ATOM 0 HG SER A 44 -1.513 6.291 -9.523 1.00 0.00 H new ATOM 679 N ILE A 45 -3.298 4.356 -5.915 1.00 0.00 N ATOM 680 CA ILE A 45 -2.741 3.553 -4.841 1.00 0.00 C ATOM 681 C ILE A 45 -1.946 2.405 -5.478 1.00 0.00 C ATOM 682 O ILE A 45 -2.263 1.938 -6.578 1.00 0.00 O ATOM 683 CB ILE A 45 -3.863 3.065 -3.897 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.750 4.196 -3.328 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.255 2.340 -2.686 1.00 0.00 C ATOM 686 CD1 ILE A 45 -6.073 4.381 -4.078 1.00 0.00 C ATOM 0 H ILE A 45 -3.728 3.790 -6.646 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.064 4.138 -4.218 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.483 2.414 -4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.964 3.985 -2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.192 5.132 -3.358 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.054 2.000 -2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.677 1.482 -3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.602 3.023 -2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.640 5.192 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.869 4.624 -5.121 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.652 3.459 -4.027 1.00 0.00 H new ATOM 698 N GLU A 46 -0.907 1.948 -4.780 1.00 0.00 N ATOM 699 CA GLU A 46 0.102 1.030 -5.288 1.00 0.00 C ATOM 700 C GLU A 46 0.399 -0.081 -4.268 1.00 0.00 C ATOM 701 O GLU A 46 0.969 0.161 -3.195 1.00 0.00 O ATOM 702 CB GLU A 46 1.346 1.828 -5.712 1.00 0.00 C ATOM 703 CG GLU A 46 2.387 0.989 -6.463 1.00 0.00 C ATOM 704 CD GLU A 46 1.742 0.156 -7.567 1.00 0.00 C ATOM 705 OE1 GLU A 46 1.192 0.719 -8.537 1.00 0.00 O ATOM 706 OE2 GLU A 46 1.644 -1.080 -7.386 1.00 0.00 O ATOM 0 H GLU A 46 -0.742 2.219 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.270 0.516 -6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.036 2.659 -6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.810 2.259 -4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.142 1.646 -6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.900 0.331 -5.762 1.00 0.00 H new ATOM 713 N ILE A 47 -0.042 -1.301 -4.594 1.00 0.00 N ATOM 714 CA ILE A 47 -0.053 -2.496 -3.750 1.00 0.00 C ATOM 715 C ILE A 47 0.650 -3.625 -4.539 1.00 0.00 C ATOM 716 O ILE A 47 -0.004 -4.330 -5.314 1.00 0.00 O ATOM 717 CB ILE A 47 -1.481 -2.904 -3.294 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.392 -1.764 -2.796 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.357 -3.927 -2.148 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.157 -1.058 -3.918 1.00 0.00 C ATOM 0 H ILE A 47 -0.427 -1.490 -5.519 1.00 0.00 H new ATOM 0 HA ILE A 47 0.481 -2.290 -2.822 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.956 -3.297 -4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.106 -2.168 -2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.785 -1.031 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.352 -4.224 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.815 -4.805 -2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.816 -3.477 -1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.777 -0.268 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.449 -0.624 -4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.790 -1.778 -4.436 1.00 0.00 H new ATOM 732 N PRO A 48 1.988 -3.756 -4.478 1.00 0.00 N ATOM 733 CA PRO A 48 2.703 -4.882 -5.070 1.00 0.00 C ATOM 734 C PRO A 48 2.284 -6.172 -4.364 1.00 0.00 C ATOM 735 O PRO A 48 2.238 -6.206 -3.130 1.00 0.00 O ATOM 736 CB PRO A 48 4.190 -4.591 -4.848 1.00 0.00 C ATOM 737 CG PRO A 48 4.212 -3.705 -3.603 1.00 0.00 C ATOM 738 CD PRO A 48 2.871 -2.981 -3.634 1.00 0.00 C ATOM 0 HA PRO A 48 2.486 -5.006 -6.131 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.758 -5.509 -4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.630 -4.084 -5.707 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.324 -4.297 -2.695 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.045 -3.002 -3.629 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.460 -2.889 -2.629 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.988 -1.970 -4.025 1.00 0.00 H new ATOM 746 N ARG A 49 1.978 -7.216 -5.137 1.00 0.00 N ATOM 747 CA ARG A 49 1.633 -8.547 -4.623 1.00 0.00 C ATOM 748 C ARG A 49 2.855 -9.467 -4.581 1.00 0.00 C ATOM 749 O ARG A 49 3.833 -9.198 -5.293 1.00 0.00 O ATOM 750 CB ARG A 49 0.391 -9.170 -5.313 1.00 0.00 C ATOM 751 CG ARG A 49 0.032 -8.665 -6.714 1.00 0.00 C ATOM 752 CD ARG A 49 -1.370 -9.113 -7.139 1.00 0.00 C ATOM 753 NE ARG A 49 -1.339 -10.330 -7.962 1.00 0.00 N ATOM 754 CZ ARG A 49 -2.306 -10.749 -8.789 1.00 0.00 C ATOM 755 NH1 ARG A 49 -3.485 -10.145 -8.868 1.00 0.00 N ATOM 756 NH2 ARG A 49 -2.063 -11.782 -9.577 1.00 0.00 N ATOM 0 H ARG A 49 1.962 -7.161 -6.155 1.00 0.00 H new ATOM 0 HA ARG A 49 1.319 -8.417 -3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.545 -10.247 -5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.471 -9.007 -4.666 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.087 -7.577 -6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.765 -9.034 -7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.977 -9.292 -6.251 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.852 -8.311 -7.698 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.503 -10.910 -7.898 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.681 -9.331 -8.286 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.195 -10.495 -9.511 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.154 -12.243 -9.547 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.785 -12.118 -10.215 1.00 0.00 H new ATOM 770 N PRO A 50 2.815 -10.546 -3.773 1.00 0.00 N ATOM 771 CA PRO A 50 3.747 -11.663 -3.867 1.00 0.00 C ATOM 772 C PRO A 50 3.606 -12.346 -5.227 1.00 0.00 C ATOM 773 O PRO A 50 2.674 -12.074 -5.995 1.00 0.00 O ATOM 774 CB PRO A 50 3.389 -12.605 -2.712 1.00 0.00 C ATOM 775 CG PRO A 50 1.902 -12.349 -2.505 1.00 0.00 C ATOM 776 CD PRO A 50 1.775 -10.862 -2.801 1.00 0.00 C ATOM 0 HA PRO A 50 4.787 -11.345 -3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.587 -13.646 -2.965 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.965 -12.380 -1.815 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.290 -12.950 -3.178 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.587 -12.588 -1.489 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.788 -10.628 -3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.900 -10.273 -1.892 1.00 0.00 H new ATOM 866 N PRO A 57 10.843 -7.632 -2.911 1.00 0.00 N ATOM 867 CA PRO A 57 11.262 -6.428 -2.221 1.00 0.00 C ATOM 868 C PRO A 57 10.112 -5.419 -2.275 1.00 0.00 C ATOM 869 O PRO A 57 9.416 -5.271 -3.285 1.00 0.00 O ATOM 870 CB PRO A 57 12.525 -5.954 -2.940 1.00 0.00 C ATOM 871 CG PRO A 57 12.342 -6.479 -4.363 1.00 0.00 C ATOM 872 CD PRO A 57 11.575 -7.786 -4.159 1.00 0.00 C ATOM 0 HA PRO A 57 11.492 -6.577 -1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.614 -4.868 -2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.426 -6.356 -2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.783 -5.777 -4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.299 -6.647 -4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.894 -7.973 -4.990 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.257 -8.635 -4.109 1.00 0.00 H new ATOM 880 N GLY A 58 9.893 -4.752 -1.148 1.00 0.00 N ATOM 881 CA GLY A 58 8.864 -3.737 -0.995 1.00 0.00 C ATOM 882 C GLY A 58 7.463 -4.305 -0.826 1.00 0.00 C ATOM 883 O GLY A 58 6.495 -3.544 -0.830 1.00 0.00 O ATOM 0 H GLY A 58 10.438 -4.906 -0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.102 -3.119 -0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.878 -3.084 -1.867 1.00 0.00 H new ATOM 887 N CYS A 59 7.343 -5.619 -0.631 1.00 0.00 N ATOM 888 CA CYS A 59 6.080 -6.224 -0.249 1.00 0.00 C ATOM 889 C CYS A 59 5.678 -5.787 1.162 1.00 0.00 C ATOM 890 O CYS A 59 6.520 -5.452 2.005 1.00 0.00 O ATOM 891 CB CYS A 59 6.252 -7.741 -0.328 1.00 0.00 C ATOM 892 SG CYS A 59 4.653 -8.599 -0.499 1.00 0.00 S ATOM 0 H CYS A 59 8.112 -6.281 -0.733 1.00 0.00 H new ATOM 0 HA CYS A 59 5.284 -5.903 -0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.890 -7.990 -1.176 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.760 -8.096 0.569 1.00 0.00 H new ATOM 0 HG CYS A 59 4.854 -9.882 -0.564 1.00 0.00 H new ATOM 898 N GLY A 60 4.377 -5.813 1.429 1.00 0.00 N ATOM 899 CA GLY A 60 3.778 -5.540 2.716 1.00 0.00 C ATOM 900 C GLY A 60 3.558 -4.059 2.997 1.00 0.00 C ATOM 901 O GLY A 60 2.987 -3.732 4.042 1.00 0.00 O ATOM 0 H GLY A 60 3.684 -6.037 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.820 -6.057 2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.414 -5.957 3.497 1.00 0.00 H new ATOM 905 N LYS A 61 4.014 -3.162 2.123 1.00 0.00 N ATOM 906 CA LYS A 61 3.704 -1.739 2.170 1.00 0.00 C ATOM 907 C LYS A 61 2.398 -1.514 1.403 1.00 0.00 C ATOM 908 O LYS A 61 1.857 -2.442 0.796 1.00 0.00 O ATOM 909 CB LYS A 61 4.862 -0.926 1.556 1.00 0.00 C ATOM 910 CG LYS A 61 6.158 -0.976 2.368 1.00 0.00 C ATOM 911 CD LYS A 61 7.114 -2.047 1.826 1.00 0.00 C ATOM 912 CE LYS A 61 8.209 -2.376 2.833 1.00 0.00 C ATOM 913 NZ LYS A 61 9.321 -1.399 2.860 1.00 0.00 N ATOM 0 H LYS A 61 4.624 -3.414 1.345 1.00 0.00 H new ATOM 0 HA LYS A 61 3.582 -1.404 3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.061 -1.298 0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.549 0.113 1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.646 -0.002 2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.928 -1.186 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.553 -2.951 1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.565 -1.698 0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.767 -2.434 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.612 -3.363 2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.024 -1.692 3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.770 -1.358 1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.951 -0.459 3.108 1.00 0.00 H new ATOM 927 N ILE A 62 1.880 -0.291 1.460 1.00 0.00 N ATOM 928 CA ILE A 62 1.079 0.312 0.403 1.00 0.00 C ATOM 929 C ILE A 62 1.691 1.694 0.193 1.00 0.00 C ATOM 930 O ILE A 62 2.164 2.313 1.152 1.00 0.00 O ATOM 931 CB ILE A 62 -0.430 0.332 0.746 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.925 -1.130 0.810 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.182 1.143 -0.323 1.00 0.00 C ATOM 934 CD1 ILE A 62 -2.436 -1.350 0.812 1.00 0.00 C ATOM 0 H ILE A 62 2.010 0.323 2.264 1.00 0.00 H new ATOM 0 HA ILE A 62 1.107 -0.264 -0.522 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.612 0.808 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.505 -1.667 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.515 -1.588 1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.246 1.160 -0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.798 2.163 -0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.036 0.682 -1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.648 -2.418 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.875 -0.854 1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.865 -0.935 -0.100 1.00 0.00 H new ATOM 946 N PHE A 63 1.690 2.189 -1.042 1.00 0.00 N ATOM 947 CA PHE A 63 1.935 3.597 -1.308 1.00 0.00 C ATOM 948 C PHE A 63 0.657 4.182 -1.908 1.00 0.00 C ATOM 949 O PHE A 63 -0.027 3.529 -2.692 1.00 0.00 O ATOM 950 CB PHE A 63 3.142 3.757 -2.236 1.00 0.00 C ATOM 951 CG PHE A 63 4.335 2.896 -1.885 1.00 0.00 C ATOM 952 CD1 PHE A 63 5.296 3.318 -0.948 1.00 0.00 C ATOM 953 CD2 PHE A 63 4.456 1.636 -2.491 1.00 0.00 C ATOM 954 CE1 PHE A 63 6.364 2.464 -0.613 1.00 0.00 C ATOM 955 CE2 PHE A 63 5.488 0.769 -2.117 1.00 0.00 C ATOM 956 CZ PHE A 63 6.453 1.181 -1.183 1.00 0.00 C ATOM 0 H PHE A 63 1.521 1.628 -1.877 1.00 0.00 H new ATOM 0 HA PHE A 63 2.178 4.137 -0.393 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.832 3.524 -3.255 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.452 4.802 -2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.215 4.292 -0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.749 1.334 -3.250 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.119 2.795 0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.543 -0.220 -2.548 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.258 0.517 -0.904 1.00 0.00 H new ATOM 966 N VAL A 64 0.342 5.427 -1.596 1.00 0.00 N ATOM 967 CA VAL A 64 -0.771 6.191 -2.147 1.00 0.00 C ATOM 968 C VAL A 64 -0.131 7.393 -2.843 1.00 0.00 C ATOM 969 O VAL A 64 0.980 7.786 -2.484 1.00 0.00 O ATOM 970 CB VAL A 64 -1.747 6.540 -0.997 1.00 0.00 C ATOM 971 CG1 VAL A 64 -2.823 7.563 -1.366 1.00 0.00 C ATOM 972 CG2 VAL A 64 -2.474 5.304 -0.454 1.00 0.00 C ATOM 0 H VAL A 64 0.882 5.963 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.377 5.656 -2.878 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.092 6.975 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.461 7.747 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.349 8.495 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.427 7.176 -2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.147 5.602 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.049 4.839 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.744 4.591 -0.071 1.00 0.00 H new ATOM 982 N GLU A 65 -0.792 7.963 -3.838 1.00 0.00 N ATOM 983 CA GLU A 65 -0.325 9.092 -4.621 1.00 0.00 C ATOM 984 C GLU A 65 -1.484 10.080 -4.674 1.00 0.00 C ATOM 985 O GLU A 65 -2.638 9.673 -4.829 1.00 0.00 O ATOM 986 CB GLU A 65 0.147 8.570 -5.988 1.00 0.00 C ATOM 987 CG GLU A 65 0.541 9.654 -7.001 1.00 0.00 C ATOM 988 CD GLU A 65 2.007 9.632 -7.440 1.00 0.00 C ATOM 989 OE1 GLU A 65 2.456 8.571 -7.922 1.00 0.00 O ATOM 990 OE2 GLU A 65 2.641 10.710 -7.422 1.00 0.00 O ATOM 0 H GLU A 65 -1.711 7.634 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 65 0.534 9.612 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.002 7.913 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.647 7.962 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.088 9.549 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.322 10.630 -6.568 1.00 0.00 H new ATOM 997 N PHE A 66 -1.189 11.363 -4.498 1.00 0.00 N ATOM 998 CA PHE A 66 -2.155 12.459 -4.539 1.00 0.00 C ATOM 999 C PHE A 66 -1.962 13.270 -5.817 1.00 0.00 C ATOM 1000 O PHE A 66 -1.154 12.928 -6.676 1.00 0.00 O ATOM 1001 CB PHE A 66 -2.042 13.331 -3.278 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.628 12.712 -2.028 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -2.000 11.611 -1.414 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -3.794 13.261 -1.460 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -2.514 11.082 -0.223 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -4.312 12.730 -0.268 1.00 0.00 C ATOM 1007 CZ PHE A 66 -3.661 11.649 0.350 1.00 0.00 C ATOM 0 H PHE A 66 -0.237 11.682 -4.316 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.165 12.050 -4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.990 13.552 -3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.541 14.282 -3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.120 11.174 -1.862 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.290 14.091 -1.942 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.029 10.242 0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.205 13.150 0.171 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.048 11.251 1.276 1.00 0.00 H new ATOM 1017 N THR A 67 -2.746 14.332 -5.976 1.00 0.00 N ATOM 1018 CA THR A 67 -2.683 15.220 -7.127 1.00 0.00 C ATOM 1019 C THR A 67 -2.159 16.613 -6.698 1.00 0.00 C ATOM 1020 O THR A 67 -2.173 17.541 -7.508 1.00 0.00 O ATOM 1021 CB THR A 67 -4.063 15.151 -7.823 1.00 0.00 C ATOM 1022 OG1 THR A 67 -4.062 15.517 -9.189 1.00 0.00 O ATOM 1023 CG2 THR A 67 -5.158 15.916 -7.093 1.00 0.00 C ATOM 0 H THR A 67 -3.455 14.603 -5.295 1.00 0.00 H new ATOM 0 HA THR A 67 -1.955 14.922 -7.881 1.00 0.00 H new ATOM 0 HB THR A 67 -4.292 14.086 -7.775 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.971 15.443 -9.548 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.095 15.821 -7.641 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.281 15.507 -6.090 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.883 16.968 -7.024 1.00 0.00 H new ATOM 1031 N SER A 68 -1.709 16.798 -5.445 1.00 0.00 N ATOM 1032 CA SER A 68 -0.859 17.901 -5.031 1.00 0.00 C ATOM 1033 C SER A 68 -0.091 17.474 -3.777 1.00 0.00 C ATOM 1034 O SER A 68 -0.660 16.827 -2.892 1.00 0.00 O ATOM 1035 CB SER A 68 -1.706 19.162 -4.787 1.00 0.00 C ATOM 1036 OG SER A 68 -2.822 18.943 -3.939 1.00 0.00 O ATOM 0 H SER A 68 -1.939 16.162 -4.681 1.00 0.00 H new ATOM 0 HA SER A 68 -0.142 18.148 -5.814 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.074 19.935 -4.349 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.058 19.544 -5.745 1.00 0.00 H new ATOM 0 HG SER A 68 -3.315 19.782 -3.824 1.00 0.00 H new ATOM 1042 N VAL A 69 1.171 17.900 -3.646 1.00 0.00 N ATOM 1043 CA VAL A 69 2.002 17.716 -2.447 1.00 0.00 C ATOM 1044 C VAL A 69 1.231 18.207 -1.220 1.00 0.00 C ATOM 1045 O VAL A 69 1.171 17.555 -0.180 1.00 0.00 O ATOM 1046 CB VAL A 69 3.333 18.496 -2.606 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.257 18.346 -1.386 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.111 18.081 -3.866 1.00 0.00 C ATOM 0 H VAL A 69 1.658 18.397 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 69 2.237 16.659 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 69 3.035 19.540 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.173 18.912 -1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.752 18.726 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.502 17.294 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.034 18.657 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.349 17.019 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.502 18.273 -4.749 1.00 0.00 H new ATOM 1058 N PHE A 70 0.608 19.372 -1.369 1.00 0.00 N ATOM 1059 CA PHE A 70 0.052 20.126 -0.261 1.00 0.00 C ATOM 1060 C PHE A 70 -1.197 19.471 0.317 1.00 0.00 C ATOM 1061 O PHE A 70 -1.510 19.707 1.478 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.298 21.522 -0.766 1.00 0.00 C ATOM 1063 CG PHE A 70 0.860 22.479 -0.865 1.00 0.00 C ATOM 1064 CD1 PHE A 70 1.369 23.072 0.304 1.00 0.00 C ATOM 1065 CD2 PHE A 70 1.372 22.850 -2.123 1.00 0.00 C ATOM 1066 CE1 PHE A 70 2.372 24.046 0.212 1.00 0.00 C ATOM 1067 CE2 PHE A 70 2.356 23.846 -2.211 1.00 0.00 C ATOM 1068 CZ PHE A 70 2.855 24.449 -1.044 1.00 0.00 C ATOM 0 H PHE A 70 0.476 19.821 -2.275 1.00 0.00 H new ATOM 0 HA PHE A 70 0.794 20.164 0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.757 21.430 -1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.048 21.953 -0.103 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.988 22.777 1.271 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.008 22.369 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.776 24.489 1.111 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.731 24.150 -3.177 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.608 25.220 -1.113 1.00 0.00 H new ATOM 1078 N ASP A 71 -1.929 18.686 -0.479 1.00 0.00 N ATOM 1079 CA ASP A 71 -3.063 17.909 0.023 1.00 0.00 C ATOM 1080 C ASP A 71 -2.541 16.695 0.775 1.00 0.00 C ATOM 1081 O ASP A 71 -3.031 16.375 1.862 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.941 17.439 -1.139 1.00 0.00 C ATOM 1083 CG ASP A 71 -4.969 18.463 -1.638 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -5.108 19.560 -1.051 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -5.630 18.192 -2.672 1.00 0.00 O ATOM 0 H ASP A 71 -1.754 18.573 -1.478 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.658 18.537 0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.295 17.161 -1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.470 16.537 -0.832 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.521 16.038 0.218 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.933 14.854 0.813 1.00 0.00 C ATOM 1092 C CYS A 72 -0.384 15.169 2.207 1.00 0.00 C ATOM 1093 O CYS A 72 -0.605 14.409 3.148 1.00 0.00 O ATOM 1094 CB CYS A 72 0.151 14.309 -0.119 1.00 0.00 C ATOM 1095 SG CYS A 72 0.574 12.639 0.412 1.00 0.00 S ATOM 0 H CYS A 72 -1.085 16.319 -0.660 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.696 14.086 0.939 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.204 14.300 -1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.032 14.950 -0.091 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.343 11.810 0.010 1.00 0.00 H new ATOM 1101 N GLN A 73 0.257 16.328 2.369 1.00 0.00 N ATOM 1102 CA GLN A 73 0.740 16.835 3.643 1.00 0.00 C ATOM 1103 C GLN A 73 -0.366 16.944 4.704 1.00 0.00 C ATOM 1104 O GLN A 73 -0.058 16.874 5.900 1.00 0.00 O ATOM 1105 CB GLN A 73 1.384 18.203 3.381 1.00 0.00 C ATOM 1106 CG GLN A 73 2.774 18.074 2.739 1.00 0.00 C ATOM 1107 CD GLN A 73 3.405 19.427 2.429 1.00 0.00 C ATOM 1108 OE1 GLN A 73 2.737 20.446 2.261 1.00 0.00 O ATOM 1109 NE2 GLN A 73 4.721 19.483 2.346 1.00 0.00 N ATOM 0 H GLN A 73 0.458 16.955 1.590 1.00 0.00 H new ATOM 0 HA GLN A 73 1.465 16.131 4.052 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.737 18.789 2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.468 18.749 4.320 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.429 17.517 3.409 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.693 17.496 1.819 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.277 18.639 2.485 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.182 20.370 2.143 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.638 17.126 4.322 1.00 0.00 N ATOM 1119 CA LYS A 74 -2.754 17.160 5.258 1.00 0.00 C ATOM 1120 C LYS A 74 -3.140 15.742 5.636 1.00 0.00 C ATOM 1121 O LYS A 74 -3.308 15.462 6.825 1.00 0.00 O ATOM 1122 CB LYS A 74 -3.961 17.903 4.661 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.538 19.217 4.004 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.653 20.256 3.886 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.143 21.306 2.894 1.00 0.00 C ATOM 1126 NZ LYS A 74 -5.117 22.379 2.631 1.00 0.00 N ATOM 0 H LYS A 74 -1.915 17.254 3.349 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.442 17.702 6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.453 17.268 3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.690 18.105 5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.717 19.647 4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.152 19.002 3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.577 19.799 3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.872 20.707 4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.224 21.746 3.281 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.890 20.815 1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.713 23.056 1.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.986 21.969 2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.341 22.870 3.520 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.284 14.869 4.639 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.658 13.480 4.833 1.00 0.00 C ATOM 1142 C ALA A 75 -2.649 12.775 5.735 1.00 0.00 C ATOM 1143 O ALA A 75 -3.051 12.137 6.703 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.753 12.775 3.479 1.00 0.00 C ATOM 0 H ALA A 75 -3.140 15.117 3.660 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.633 13.441 5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.034 11.733 3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.506 13.268 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.787 12.821 2.976 1.00 0.00 H new ATOM 1150 N MET A 76 -1.350 12.900 5.440 1.00 0.00 N ATOM 1151 CA MET A 76 -0.304 12.104 6.075 1.00 0.00 C ATOM 1152 C MET A 76 -0.347 12.242 7.598 1.00 0.00 C ATOM 1153 O MET A 76 -0.281 11.236 8.310 1.00 0.00 O ATOM 1154 CB MET A 76 1.072 12.416 5.444 1.00 0.00 C ATOM 1155 CG MET A 76 1.897 13.567 6.028 1.00 0.00 C ATOM 1156 SD MET A 76 2.794 13.202 7.569 1.00 0.00 S ATOM 1157 CE MET A 76 3.929 11.889 7.035 1.00 0.00 C ATOM 0 H MET A 76 -0.997 13.562 4.749 1.00 0.00 H new ATOM 0 HA MET A 76 -0.488 11.047 5.883 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.677 11.511 5.502 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.912 12.625 4.386 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.619 13.888 5.277 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.231 14.410 6.210 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.758 11.816 7.739 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.396 10.939 7.001 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.316 12.123 6.043 1.00 0.00 H new ATOM 1167 N GLN A 77 -0.526 13.474 8.089 1.00 0.00 N ATOM 1168 CA GLN A 77 -0.676 13.766 9.505 1.00 0.00 C ATOM 1169 C GLN A 77 -2.093 13.406 9.952 1.00 0.00 C ATOM 1170 O GLN A 77 -2.260 12.721 10.959 1.00 0.00 O ATOM 1171 CB GLN A 77 -0.398 15.257 9.777 1.00 0.00 C ATOM 1172 CG GLN A 77 1.036 15.671 9.406 1.00 0.00 C ATOM 1173 CD GLN A 77 1.329 17.136 9.724 1.00 0.00 C ATOM 1174 OE1 GLN A 77 1.102 17.606 10.836 1.00 0.00 O ATOM 1175 NE2 GLN A 77 1.872 17.882 8.779 1.00 0.00 N ATOM 0 H GLN A 77 -0.570 14.304 7.498 1.00 0.00 H new ATOM 0 HA GLN A 77 0.043 13.172 10.070 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.105 15.863 9.211 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.571 15.468 10.832 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.743 15.039 9.944 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.196 15.495 8.342 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.057 17.484 7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.106 18.856 8.970 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.110 13.845 9.203 1.00 0.00 N ATOM 1185 CA GLY A 78 -4.514 13.775 9.589 1.00 0.00 C ATOM 1186 C GLY A 78 -5.024 12.344 9.733 1.00 0.00 C ATOM 1187 O GLY A 78 -6.036 12.125 10.404 1.00 0.00 O ATOM 0 H GLY A 78 -2.970 14.270 8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.652 14.300 10.534 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.116 14.296 8.844 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.328 11.379 9.138 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.684 9.972 9.066 1.00 0.00 C ATOM 1193 C LEU A 79 -3.557 9.094 9.634 1.00 0.00 C ATOM 1194 O LEU A 79 -3.555 7.875 9.425 1.00 0.00 O ATOM 1195 CB LEU A 79 -5.035 9.640 7.603 1.00 0.00 C ATOM 1196 CG LEU A 79 -6.238 10.418 7.025 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -6.438 10.059 5.550 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.516 10.081 7.793 1.00 0.00 C ATOM 0 H LEU A 79 -3.446 11.575 8.665 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.557 9.761 9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.161 9.839 6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.243 8.573 7.529 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.029 11.483 7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.289 10.613 5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.541 10.319 4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.627 8.989 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.352 10.639 7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.716 9.012 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.392 10.351 8.842 1.00 0.00 H new ATOM 1210 N THR A 80 -2.599 9.679 10.364 1.00 0.00 N ATOM 1211 CA THR A 80 -1.695 8.937 11.232 1.00 0.00 C ATOM 1212 C THR A 80 -2.559 8.233 12.283 1.00 0.00 C ATOM 1213 O THR A 80 -3.257 8.890 13.054 1.00 0.00 O ATOM 1214 CB THR A 80 -0.679 9.903 11.868 1.00 0.00 C ATOM 1215 OG1 THR A 80 0.232 10.337 10.881 1.00 0.00 O ATOM 1216 CG2 THR A 80 0.164 9.270 12.980 1.00 0.00 C ATOM 0 H THR A 80 -2.434 10.686 10.364 1.00 0.00 H new ATOM 0 HA THR A 80 -1.119 8.194 10.680 1.00 0.00 H new ATOM 0 HB THR A 80 -1.271 10.713 12.295 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.260 10.607 10.078 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.856 10.012 13.379 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.491 8.918 13.777 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.727 8.429 12.576 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.548 6.901 12.336 1.00 0.00 N ATOM 1225 CA GLY A 81 -3.312 6.173 13.344 1.00 0.00 C ATOM 1226 C GLY A 81 -4.788 6.028 12.998 1.00 0.00 C ATOM 1227 O GLY A 81 -5.621 5.862 13.896 1.00 0.00 O ATOM 0 H GLY A 81 -2.020 6.308 11.695 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.878 5.182 13.472 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.220 6.687 14.301 1.00 0.00 H new ATOM 1231 N ARG A 82 -5.124 6.095 11.706 1.00 0.00 N ATOM 1232 CA ARG A 82 -6.329 5.467 11.179 1.00 0.00 C ATOM 1233 C ARG A 82 -6.124 3.961 11.021 1.00 0.00 C ATOM 1234 O ARG A 82 -5.049 3.446 11.346 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.720 6.162 9.868 1.00 0.00 C ATOM 1236 CG ARG A 82 -7.656 7.357 10.133 1.00 0.00 C ATOM 1237 CD ARG A 82 -8.994 7.099 9.428 1.00 0.00 C ATOM 1238 NE ARG A 82 -9.981 8.176 9.601 1.00 0.00 N ATOM 1239 CZ ARG A 82 -10.836 8.282 10.626 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -10.758 7.434 11.648 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -11.754 9.241 10.628 1.00 0.00 N ATOM 0 H ARG A 82 -4.569 6.584 11.004 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.157 5.586 11.878 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.823 6.506 9.353 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.213 5.449 9.207 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.812 7.485 11.204 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.206 8.279 9.764 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.810 6.957 8.363 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.418 6.168 9.805 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.017 8.900 8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.047 6.703 11.651 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.409 7.515 12.429 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.808 9.897 9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.405 9.322 11.409 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.145 3.254 10.533 1.00 0.00 N ATOM 1256 CA LYS A 83 -7.144 1.812 10.326 1.00 0.00 C ATOM 1257 C LYS A 83 -7.616 1.558 8.900 1.00 0.00 C ATOM 1258 O LYS A 83 -8.814 1.605 8.638 1.00 0.00 O ATOM 1259 CB LYS A 83 -8.075 1.132 11.340 1.00 0.00 C ATOM 1260 CG LYS A 83 -7.783 1.497 12.800 1.00 0.00 C ATOM 1261 CD LYS A 83 -8.604 0.609 13.747 1.00 0.00 C ATOM 1262 CE LYS A 83 -7.811 0.325 15.022 1.00 0.00 C ATOM 1263 NZ LYS A 83 -6.738 -0.658 14.766 1.00 0.00 N ATOM 0 H LYS A 83 -8.026 3.690 10.262 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.146 1.398 10.471 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.106 1.401 11.108 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.994 0.051 11.224 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.720 1.375 13.007 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.023 2.546 12.975 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.544 1.102 13.996 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.857 -0.328 13.251 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.379 1.251 15.400 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.480 -0.054 15.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.416 -1.064 15.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.101 -1.417 14.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.940 -0.186 14.295 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.702 1.320 7.962 1.00 0.00 N ATOM 1278 CA PHE A 84 -7.056 1.158 6.541 1.00 0.00 C ATOM 1279 C PHE A 84 -7.381 -0.318 6.226 1.00 0.00 C ATOM 1280 O PHE A 84 -7.379 -0.735 5.068 1.00 0.00 O ATOM 1281 CB PHE A 84 -5.920 1.711 5.658 1.00 0.00 C ATOM 1282 CG PHE A 84 -5.799 3.214 5.429 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.289 4.178 6.334 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.150 3.654 4.261 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -6.175 5.550 6.043 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.049 5.021 3.954 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.590 5.969 4.834 1.00 0.00 C ATOM 0 H PHE A 84 -5.704 1.234 8.155 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.957 1.731 6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.978 1.371 6.090 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.010 1.240 4.679 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.754 3.861 7.256 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.721 2.927 3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.537 6.283 6.749 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.558 5.340 3.046 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.558 7.019 4.584 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.600 -1.120 7.270 1.00 0.00 N ATOM 1298 CA ALA A 85 -8.106 -2.481 7.234 1.00 0.00 C ATOM 1299 C ALA A 85 -8.664 -2.765 8.629 1.00 0.00 C ATOM 1300 O ALA A 85 -9.835 -2.521 8.921 1.00 0.00 O ATOM 1301 CB ALA A 85 -6.976 -3.459 6.863 1.00 0.00 C ATOM 0 H ALA A 85 -7.414 -0.809 8.223 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.883 -2.607 6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.368 -4.476 6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.579 -3.200 5.882 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.180 -3.394 7.605 1.00 0.00 H new ATOM 1307 N ASN A 86 -7.790 -3.189 9.544 1.00 0.00 N ATOM 1308 CA ASN A 86 -8.124 -3.484 10.934 1.00 0.00 C ATOM 1309 C ASN A 86 -7.001 -3.075 11.893 1.00 0.00 C ATOM 1310 O ASN A 86 -7.237 -2.916 13.093 1.00 0.00 O ATOM 1311 CB ASN A 86 -8.409 -4.994 11.059 1.00 0.00 C ATOM 1312 CG ASN A 86 -9.366 -5.375 12.184 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -10.059 -6.377 12.066 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -9.425 -4.641 13.281 1.00 0.00 N ATOM 0 H ASN A 86 -6.804 -3.340 9.330 1.00 0.00 H new ATOM 0 HA ASN A 86 -9.005 -2.905 11.212 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.821 -5.351 10.115 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -7.464 -5.516 11.213 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.052 -4.908 14.040 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.843 -3.808 13.369 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.770 -2.915 11.395 1.00 0.00 N ATOM 1322 CA ARG A 87 -4.597 -2.663 12.231 1.00 0.00 C ATOM 1323 C ARG A 87 -4.442 -1.157 12.390 1.00 0.00 C ATOM 1324 O ARG A 87 -5.377 -0.412 12.114 1.00 0.00 O ATOM 1325 CB ARG A 87 -3.352 -3.315 11.613 1.00 0.00 C ATOM 1326 CG ARG A 87 -3.593 -4.744 11.097 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.291 -5.535 11.005 1.00 0.00 C ATOM 1328 NE ARG A 87 -1.878 -6.063 12.318 1.00 0.00 N ATOM 1329 CZ ARG A 87 -0.758 -6.754 12.542 1.00 0.00 C ATOM 1330 NH1 ARG A 87 0.044 -7.075 11.533 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -0.442 -7.106 13.785 1.00 0.00 N ATOM 0 H ARG A 87 -5.561 -2.957 10.397 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.722 -3.108 13.218 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.000 -2.695 10.788 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.557 -3.337 12.358 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.286 -5.259 11.762 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.064 -4.702 10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.416 -6.360 10.304 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.504 -4.895 10.607 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.493 -5.888 13.113 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.195 -6.793 10.582 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.899 -7.603 11.709 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.054 -6.848 14.559 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.412 -7.634 13.964 1.00 0.00 H new ATOM 1345 N VAL A 88 -3.315 -0.683 12.902 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.947 0.723 12.821 1.00 0.00 C ATOM 1347 C VAL A 88 -2.495 1.025 11.398 1.00 0.00 C ATOM 1348 O VAL A 88 -2.254 0.119 10.600 1.00 0.00 O ATOM 1349 CB VAL A 88 -1.907 1.034 13.916 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -0.555 0.372 13.632 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -1.726 2.539 14.155 1.00 0.00 C ATOM 0 H VAL A 88 -2.630 -1.263 13.386 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.789 1.386 13.018 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.311 0.604 14.833 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.146 0.619 14.430 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.683 -0.709 13.583 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.165 0.735 12.681 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.982 2.697 14.936 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.391 3.016 13.234 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.676 2.975 14.465 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.393 2.303 11.075 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.697 2.807 9.913 1.00 0.00 C ATOM 1363 C VAL A 89 -0.687 3.810 10.452 1.00 0.00 C ATOM 1364 O VAL A 89 -1.047 4.792 11.108 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.718 3.409 8.941 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -2.044 4.189 7.806 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.624 2.316 8.372 1.00 0.00 C ATOM 0 H VAL A 89 -2.810 3.043 11.640 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.170 2.042 9.343 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.325 4.117 9.506 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.806 4.597 7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.454 5.004 8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.392 3.521 7.243 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.343 2.761 7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.019 1.582 7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.157 1.825 9.186 1.00 0.00 H new ATOM 1377 N VAL A 90 0.593 3.533 10.234 1.00 0.00 N ATOM 1378 CA VAL A 90 1.642 4.539 10.296 1.00 0.00 C ATOM 1379 C VAL A 90 1.823 5.061 8.871 1.00 0.00 C ATOM 1380 O VAL A 90 1.592 4.323 7.905 1.00 0.00 O ATOM 1381 CB VAL A 90 2.909 3.954 10.961 1.00 0.00 C ATOM 1382 CG1 VAL A 90 3.319 2.552 10.482 1.00 0.00 C ATOM 1383 CG2 VAL A 90 4.110 4.902 10.830 1.00 0.00 C ATOM 0 H VAL A 90 0.933 2.598 10.008 1.00 0.00 H new ATOM 0 HA VAL A 90 1.389 5.388 10.931 1.00 0.00 H new ATOM 0 HB VAL A 90 2.619 3.848 12.006 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.218 2.235 11.010 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.512 1.848 10.685 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.518 2.577 9.411 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.981 4.455 11.310 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.325 5.073 9.775 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.878 5.852 11.312 1.00 0.00 H new ATOM 1393 N THR A 91 2.221 6.323 8.742 1.00 0.00 N ATOM 1394 CA THR A 91 2.422 7.001 7.473 1.00 0.00 C ATOM 1395 C THR A 91 3.896 7.412 7.353 1.00 0.00 C ATOM 1396 O THR A 91 4.675 7.288 8.306 1.00 0.00 O ATOM 1397 CB THR A 91 1.430 8.174 7.358 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.551 9.048 8.465 1.00 0.00 O ATOM 1399 CG2 THR A 91 -0.024 7.693 7.288 1.00 0.00 C ATOM 0 H THR A 91 2.418 6.918 9.546 1.00 0.00 H new ATOM 0 HA THR A 91 2.214 6.343 6.630 1.00 0.00 H new ATOM 0 HB THR A 91 1.680 8.696 6.434 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.668 9.193 8.865 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.688 8.553 7.208 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.154 7.052 6.416 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.265 7.131 8.190 1.00 0.00 H new ATOM 1407 N LYS A 92 4.303 7.836 6.159 1.00 0.00 N ATOM 1408 CA LYS A 92 5.656 8.227 5.784 1.00 0.00 C ATOM 1409 C LYS A 92 5.549 8.986 4.463 1.00 0.00 C ATOM 1410 O LYS A 92 4.605 8.740 3.713 1.00 0.00 O ATOM 1411 CB LYS A 92 6.490 6.944 5.577 1.00 0.00 C ATOM 1412 CG LYS A 92 7.477 6.640 6.714 1.00 0.00 C ATOM 1413 CD LYS A 92 8.907 6.844 6.199 1.00 0.00 C ATOM 1414 CE LYS A 92 10.002 6.421 7.176 1.00 0.00 C ATOM 1415 NZ LYS A 92 9.989 7.223 8.408 1.00 0.00 N ATOM 0 H LYS A 92 3.652 7.920 5.378 1.00 0.00 H new ATOM 0 HA LYS A 92 6.127 8.846 6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.812 6.098 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.046 7.033 4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.286 7.295 7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.345 5.616 7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.029 6.283 5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.044 7.897 5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.874 5.368 7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.974 6.517 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.749 6.900 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.137 8.225 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.071 7.112 8.885 1.00 0.00 H new ATOM 1429 N TYR A 93 6.515 9.843 4.139 1.00 0.00 N ATOM 1430 CA TYR A 93 6.689 10.319 2.767 1.00 0.00 C ATOM 1431 C TYR A 93 7.385 9.204 1.962 1.00 0.00 C ATOM 1432 O TYR A 93 8.001 8.310 2.563 1.00 0.00 O ATOM 1433 CB TYR A 93 7.480 11.643 2.794 1.00 0.00 C ATOM 1434 CG TYR A 93 6.747 12.772 3.505 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.558 13.279 2.953 1.00 0.00 C ATOM 1436 CD2 TYR A 93 7.218 13.296 4.726 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.829 14.282 3.605 1.00 0.00 C ATOM 1438 CE2 TYR A 93 6.490 14.303 5.389 1.00 0.00 C ATOM 1439 CZ TYR A 93 5.284 14.799 4.834 1.00 0.00 C ATOM 1440 OH TYR A 93 4.578 15.792 5.445 1.00 0.00 O ATOM 0 H TYR A 93 7.188 10.222 4.805 1.00 0.00 H new ATOM 0 HA TYR A 93 5.738 10.533 2.280 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.438 11.475 3.286 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.697 11.949 1.770 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.201 12.889 2.011 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.138 12.925 5.153 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.918 14.659 3.165 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.853 14.699 6.326 1.00 0.00 H new ATOM 0 HH TYR A 93 5.020 16.039 6.284 1.00 0.00 H new ATOM 1450 N CYS A 94 7.315 9.217 0.627 1.00 0.00 N ATOM 1451 CA CYS A 94 8.130 8.360 -0.239 1.00 0.00 C ATOM 1452 C CYS A 94 8.640 9.187 -1.425 1.00 0.00 C ATOM 1453 O CYS A 94 8.483 10.404 -1.423 1.00 0.00 O ATOM 1454 CB CYS A 94 7.316 7.131 -0.675 1.00 0.00 C ATOM 1455 SG CYS A 94 8.272 5.616 -0.404 1.00 0.00 S ATOM 0 H CYS A 94 6.683 9.830 0.112 1.00 0.00 H new ATOM 0 HA CYS A 94 9.000 7.985 0.300 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.383 7.086 -0.113 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.050 7.218 -1.728 1.00 0.00 H new ATOM 0 HG CYS A 94 7.488 4.584 -0.505 1.00 0.00 H new ATOM 1461 N ASP A 95 9.207 8.562 -2.459 1.00 0.00 N ATOM 1462 CA ASP A 95 9.710 9.239 -3.663 1.00 0.00 C ATOM 1463 C ASP A 95 8.912 8.707 -4.873 1.00 0.00 C ATOM 1464 O ASP A 95 8.479 7.553 -4.828 1.00 0.00 O ATOM 1465 CB ASP A 95 11.210 8.986 -3.822 1.00 0.00 C ATOM 1466 CG ASP A 95 12.037 9.418 -2.601 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.385 10.616 -2.453 1.00 0.00 O ATOM 1468 OD2 ASP A 95 12.364 8.533 -1.775 1.00 0.00 O ATOM 0 H ASP A 95 9.333 7.550 -2.486 1.00 0.00 H new ATOM 0 HA ASP A 95 9.575 10.318 -3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.374 7.924 -4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.569 9.520 -4.702 1.00 0.00 H new ATOM 1473 N PRO A 96 8.595 9.526 -5.897 1.00 0.00 N ATOM 1474 CA PRO A 96 7.607 9.159 -6.908 1.00 0.00 C ATOM 1475 C PRO A 96 8.277 8.514 -8.109 1.00 0.00 C ATOM 1476 O PRO A 96 7.632 7.785 -8.857 1.00 0.00 O ATOM 1477 CB PRO A 96 6.898 10.450 -7.306 1.00 0.00 C ATOM 1478 CG PRO A 96 7.948 11.521 -7.046 1.00 0.00 C ATOM 1479 CD PRO A 96 8.863 10.952 -5.978 1.00 0.00 C ATOM 0 HA PRO A 96 6.898 8.429 -6.518 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.590 10.434 -8.352 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.999 10.615 -6.712 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.504 11.752 -7.955 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.485 12.449 -6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.908 11.133 -6.230 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.679 11.433 -5.017 1.00 0.00 H new ATOM 1487 N ASP A 97 9.579 8.749 -8.276 1.00 0.00 N ATOM 1488 CA ASP A 97 10.349 8.062 -9.311 1.00 0.00 C ATOM 1489 C ASP A 97 10.267 6.555 -9.122 1.00 0.00 C ATOM 1490 O ASP A 97 10.157 5.798 -10.088 1.00 0.00 O ATOM 1491 CB ASP A 97 11.823 8.456 -9.271 1.00 0.00 C ATOM 1492 CG ASP A 97 12.284 8.885 -10.655 1.00 0.00 C ATOM 1493 OD1 ASP A 97 12.219 8.066 -11.600 1.00 0.00 O ATOM 1494 OD2 ASP A 97 12.678 10.067 -10.819 1.00 0.00 O ATOM 0 H ASP A 97 10.119 9.405 -7.712 1.00 0.00 H new ATOM 0 HA ASP A 97 9.919 8.355 -10.269 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.971 9.269 -8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.423 7.615 -8.923 1.00 0.00 H new ATOM 1499 N SER A 98 10.335 6.120 -7.863 1.00 0.00 N ATOM 1500 CA SER A 98 10.217 4.723 -7.521 1.00 0.00 C ATOM 1501 C SER A 98 8.751 4.278 -7.618 1.00 0.00 C ATOM 1502 O SER A 98 8.493 3.133 -7.980 1.00 0.00 O ATOM 1503 CB SER A 98 10.808 4.436 -6.130 1.00 0.00 C ATOM 1504 OG SER A 98 10.698 5.529 -5.231 1.00 0.00 O ATOM 0 H SER A 98 10.473 6.734 -7.061 1.00 0.00 H new ATOM 0 HA SER A 98 10.797 4.140 -8.237 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.303 3.571 -5.701 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.859 4.170 -6.239 1.00 0.00 H new ATOM 0 HG SER A 98 9.827 5.962 -5.348 1.00 0.00 H new ATOM 1510 N TYR A 99 7.804 5.180 -7.305 1.00 0.00 N ATOM 1511 CA TYR A 99 6.368 4.919 -7.254 1.00 0.00 C ATOM 1512 C TYR A 99 5.832 4.491 -8.614 1.00 0.00 C ATOM 1513 O TYR A 99 5.117 3.492 -8.705 1.00 0.00 O ATOM 1514 CB TYR A 99 5.592 6.147 -6.733 1.00 0.00 C ATOM 1515 CG TYR A 99 4.131 5.901 -6.379 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.173 5.643 -7.380 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.713 5.956 -5.036 1.00 0.00 C ATOM 1518 CE1 TYR A 99 1.841 5.345 -7.047 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.375 5.683 -4.704 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.440 5.335 -5.698 1.00 0.00 C ATOM 1521 OH TYR A 99 0.171 4.993 -5.352 1.00 0.00 O ATOM 0 H TYR A 99 8.035 6.146 -7.073 1.00 0.00 H new ATOM 0 HA TYR A 99 6.216 4.097 -6.554 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.102 6.528 -5.848 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.637 6.930 -7.489 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.467 5.675 -8.419 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.421 6.208 -4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.126 5.124 -7.825 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.060 5.741 -3.673 1.00 0.00 H new ATOM 0 HH TYR A 99 0.182 4.524 -4.492 1.00 0.00 H new ATOM 1531 N HIS A 100 6.151 5.258 -9.658 1.00 0.00 N ATOM 1532 CA HIS A 100 5.669 5.001 -11.008 1.00 0.00 C ATOM 1533 C HIS A 100 6.274 3.724 -11.617 1.00 0.00 C ATOM 1534 O HIS A 100 5.793 3.248 -12.654 1.00 0.00 O ATOM 1535 CB HIS A 100 6.025 6.192 -11.902 1.00 0.00 C ATOM 1536 CG HIS A 100 5.431 7.526 -11.507 1.00 0.00 C ATOM 1537 ND1 HIS A 100 6.145 8.672 -11.229 1.00 0.00 N ATOM 1538 CD2 HIS A 100 4.100 7.848 -11.446 1.00 0.00 C ATOM 1539 CE1 HIS A 100 5.265 9.661 -11.011 1.00 0.00 C ATOM 1540 NE2 HIS A 100 4.007 9.219 -11.175 1.00 0.00 N ATOM 0 H HIS A 100 6.754 6.078 -9.586 1.00 0.00 H new ATOM 0 HA HIS A 100 4.590 4.861 -10.949 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.110 6.293 -11.922 1.00 0.00 H new ATOM 0 HB3 HIS A 100 5.707 5.964 -12.919 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.273 7.167 -11.582 1.00 0.00 H new ATOM 0 HE1 HIS A 100 5.531 10.672 -10.741 1.00 0.00 H new ATOM 0 HE2 HIS A 100 3.153 9.773 -11.114 1.00 0.00 H new ATOM 1548 N ARG A 101 7.341 3.197 -11.010 1.00 0.00 N ATOM 1549 CA ARG A 101 8.059 1.978 -11.372 1.00 0.00 C ATOM 1550 C ARG A 101 7.694 0.914 -10.341 1.00 0.00 C ATOM 1551 O ARG A 101 6.733 1.093 -9.597 1.00 0.00 O ATOM 1552 CB ARG A 101 9.565 2.306 -11.409 1.00 0.00 C ATOM 1553 CG ARG A 101 9.921 3.176 -12.627 1.00 0.00 C ATOM 1554 CD ARG A 101 10.265 2.340 -13.861 1.00 0.00 C ATOM 1555 NE ARG A 101 11.620 1.768 -13.792 1.00 0.00 N ATOM 1556 CZ ARG A 101 11.992 0.504 -14.017 1.00 0.00 C ATOM 1557 NH1 ARG A 101 11.112 -0.479 -14.106 1.00 0.00 N ATOM 1558 NH2 ARG A 101 13.278 0.213 -14.168 1.00 0.00 N ATOM 0 H ARG A 101 7.754 3.647 -10.193 1.00 0.00 H new ATOM 0 HA ARG A 101 7.790 1.595 -12.356 1.00 0.00 H new ATOM 0 HB2 ARG A 101 9.848 2.826 -10.494 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.140 1.380 -11.441 1.00 0.00 H new ATOM 0 HG2 ARG A 101 9.082 3.832 -12.859 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.767 3.816 -12.378 1.00 0.00 H new ATOM 0 HD2 ARG A 101 9.538 1.534 -13.965 1.00 0.00 H new ATOM 0 HD3 ARG A 101 10.181 2.962 -14.752 1.00 0.00 H new ATOM 0 HE ARG A 101 12.367 2.416 -13.542 1.00 0.00 H new ATOM 0 HH11 ARG A 101 10.116 -0.283 -14.002 1.00 0.00 H new ATOM 0 HH12 ARG A 101 11.429 -1.433 -14.279 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.978 0.953 -14.112 1.00 0.00 H new ATOM 0 HH22 ARG A 101 13.566 -0.750 -14.340 1.00 0.00 H new ATOM 1572 N ARG A 102 8.381 -0.232 -10.330 1.00 0.00 N ATOM 1573 CA ARG A 102 8.352 -1.215 -9.251 1.00 0.00 C ATOM 1574 C ARG A 102 9.757 -1.188 -8.690 1.00 0.00 C ATOM 1575 O ARG A 102 10.540 -2.108 -8.914 1.00 0.00 O ATOM 1576 CB ARG A 102 7.916 -2.629 -9.715 1.00 0.00 C ATOM 1577 CG ARG A 102 6.424 -2.907 -10.009 1.00 0.00 C ATOM 1578 CD ARG A 102 5.680 -1.631 -10.365 1.00 0.00 C ATOM 1579 NE ARG A 102 4.240 -1.743 -10.580 1.00 0.00 N ATOM 1580 CZ ARG A 102 3.463 -0.655 -10.638 1.00 0.00 C ATOM 1581 NH1 ARG A 102 3.970 0.570 -10.468 1.00 0.00 N ATOM 1582 NH2 ARG A 102 2.172 -0.795 -10.901 1.00 0.00 N ATOM 0 H ARG A 102 8.992 -0.507 -11.099 1.00 0.00 H new ATOM 0 HA ARG A 102 7.602 -0.967 -8.500 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.476 -2.863 -10.620 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.236 -3.337 -8.950 1.00 0.00 H new ATOM 0 HG2 ARG A 102 6.340 -3.619 -10.830 1.00 0.00 H new ATOM 0 HG3 ARG A 102 5.960 -3.369 -9.137 1.00 0.00 H new ATOM 0 HD2 ARG A 102 5.849 -0.907 -9.568 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.127 -1.219 -11.270 1.00 0.00 H new ATOM 0 HE ARG A 102 3.819 -2.666 -10.688 1.00 0.00 H new ATOM 0 HH11 ARG A 102 4.967 0.689 -10.290 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.360 1.386 -10.516 1.00 0.00 H new ATOM 0 HH21 ARG A 102 1.781 -1.724 -11.056 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.569 0.026 -10.948 1.00 0.00 H new ATOM 1596 N ASP A 103 10.111 -0.092 -8.028 1.00 0.00 N ATOM 1597 CA ASP A 103 11.444 0.095 -7.457 1.00 0.00 C ATOM 1598 C ASP A 103 11.369 0.023 -5.930 1.00 0.00 C ATOM 1599 O ASP A 103 12.134 0.670 -5.216 1.00 0.00 O ATOM 1600 CB ASP A 103 12.054 1.408 -7.965 1.00 0.00 C ATOM 1601 CG ASP A 103 13.580 1.315 -7.935 1.00 0.00 C ATOM 1602 OD1 ASP A 103 14.127 0.495 -8.716 1.00 0.00 O ATOM 1603 OD2 ASP A 103 14.235 2.080 -7.200 1.00 0.00 O ATOM 0 H ASP A 103 9.482 0.695 -7.871 1.00 0.00 H new ATOM 0 HA ASP A 103 12.107 -0.707 -7.782 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.713 1.610 -8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.719 2.239 -7.345 1.00 0.00 H new ATOM 1608 N PHE A 104 10.376 -0.702 -5.412 1.00 0.00 N ATOM 1609 CA PHE A 104 10.065 -0.746 -3.991 1.00 0.00 C ATOM 1610 C PHE A 104 11.110 -1.592 -3.265 1.00 0.00 C ATOM 1611 O PHE A 104 11.698 -2.512 -3.842 1.00 0.00 O ATOM 1612 CB PHE A 104 8.655 -1.321 -3.783 1.00 0.00 C ATOM 1613 CG PHE A 104 7.623 -0.896 -4.812 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.453 0.458 -5.160 1.00 0.00 C ATOM 1615 CD2 PHE A 104 6.875 -1.881 -5.483 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.580 0.813 -6.203 1.00 0.00 C ATOM 1617 CE2 PHE A 104 5.997 -1.526 -6.515 1.00 0.00 C ATOM 1618 CZ PHE A 104 5.851 -0.180 -6.875 1.00 0.00 C ATOM 0 H PHE A 104 9.759 -1.282 -5.980 1.00 0.00 H new ATOM 0 HA PHE A 104 10.087 0.263 -3.580 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.720 -2.409 -3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.302 -1.025 -2.795 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.994 1.224 -4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.979 -2.918 -5.200 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.470 1.849 -6.487 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.434 -2.289 -7.032 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.176 0.094 -7.672 1.00 0.00 H new