USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 676 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 46 SER OG : rot 120:sc= 0.107 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.538 K(o=-0.43,f=-1.8) USER MOD Set 2.1: A 71 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 75 LYS NZ :NH3+ -106:sc= -0.883 (180deg=-3.22!) USER MOD Set 3.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 45 SER OG : rot -140:sc= -0.388 USER MOD Set 4.1: A 33 ASN : amide:sc= -0.194 K(o=1.1,f=-8.3!) USER MOD Set 4.2: A 36 THR OG1 : rot 103:sc= 1.25 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 1 GLN N :NH3+ -176:sc= -0.171 (180deg=-0.225) USER MOD Single : A 5 MET CE :methyl -114:sc= -2.08 (180deg=-4.56!) USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.167) USER MOD Single : A 8 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0152) USER MOD Single : A 9 CYS SG : rot 170:sc= -0.243 USER MOD Single : A 14 THR OG1 : rot 70:sc= 0.432 USER MOD Single : A 17 CYS SG : rot 76:sc= 0.266 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.918 X(o=-0.92,f=-0.62) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0221 X(o=-0.022,f=0) USER MOD Single : A 58 THR OG1 : rot -160:sc= -0.18 USER MOD Single : A 61 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00482) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 1:sc= 1.37 USER MOD Single : A 77 SER OG : rot 180:sc= 0.317 USER MOD Single : A 80 THR OG1 : rot 94:sc= 1.22 USER MOD Single : A 81 SER OG : rot 180:sc= -0.839 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.863 0.771 -0.407 1.00 0.00 N ATOM 2 CA GLN A 1 2.340 -0.314 -1.256 1.00 0.00 C ATOM 3 C GLN A 1 1.392 -0.544 -2.429 1.00 0.00 C ATOM 4 O GLN A 1 1.811 -0.972 -3.504 1.00 0.00 O ATOM 5 CB GLN A 1 2.485 -1.601 -0.443 1.00 0.00 C ATOM 6 CG GLN A 1 1.164 -2.143 0.080 1.00 0.00 C ATOM 7 CD GLN A 1 1.311 -3.499 0.742 1.00 0.00 C ATOM 8 OE1 GLN A 1 1.899 -4.420 0.174 1.00 0.00 O ATOM 9 NE2 GLN A 1 0.776 -3.629 1.950 1.00 0.00 N ATOM 0 H1 GLN A 1 2.558 0.954 0.345 1.00 0.00 H new ATOM 0 H2 GLN A 1 1.738 1.630 -0.979 1.00 0.00 H new ATOM 0 H3 GLN A 1 0.953 0.504 0.020 1.00 0.00 H new ATOM 0 HA GLN A 1 3.316 -0.030 -1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 1 2.960 -2.361 -1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.151 -1.415 0.400 1.00 0.00 H new ATOM 0 HG2 GLN A 1 0.744 -1.437 0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 1 0.455 -2.220 -0.745 1.00 0.00 H new ATOM 0 HE21 GLN A 1 0.298 -2.839 2.384 1.00 0.00 H new ATOM 0 HE22 GLN A 1 0.843 -4.518 2.445 1.00 0.00 H new ATOM 18 N ARG A 2 0.112 -0.257 -2.214 1.00 0.00 N ATOM 19 CA ARG A 2 -0.896 -0.435 -3.252 1.00 0.00 C ATOM 20 C ARG A 2 -0.511 0.325 -4.518 1.00 0.00 C ATOM 21 O ARG A 2 -0.664 -0.183 -5.628 1.00 0.00 O ATOM 22 CB ARG A 2 -2.262 0.041 -2.754 1.00 0.00 C ATOM 23 CG ARG A 2 -2.267 1.484 -2.277 1.00 0.00 C ATOM 24 CD ARG A 2 -3.305 1.708 -1.188 1.00 0.00 C ATOM 25 NE ARG A 2 -4.655 1.820 -1.734 1.00 0.00 N ATOM 26 CZ ARG A 2 -5.123 2.919 -2.316 1.00 0.00 C ATOM 27 NH1 ARG A 2 -4.354 3.993 -2.428 1.00 0.00 N ATOM 28 NH2 ARG A 2 -6.362 2.944 -2.789 1.00 0.00 N ATOM 0 H ARG A 2 -0.251 0.100 -1.330 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.954 -1.497 -3.489 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.991 -0.070 -3.557 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.587 -0.604 -1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.279 1.747 -1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.472 2.146 -3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.269 0.882 -0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.061 2.615 -0.635 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.272 1.011 -1.665 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.400 3.977 -2.067 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.716 4.835 -2.875 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.956 2.119 -2.706 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.720 3.788 -3.236 1.00 0.00 H new ATOM 42 N GLU A 3 -0.013 1.545 -4.342 1.00 0.00 N ATOM 43 CA GLU A 3 0.392 2.375 -5.471 1.00 0.00 C ATOM 44 C GLU A 3 1.416 1.650 -6.339 1.00 0.00 C ATOM 45 O GLU A 3 1.437 1.814 -7.559 1.00 0.00 O ATOM 46 CB GLU A 3 0.974 3.700 -4.975 1.00 0.00 C ATOM 47 CG GLU A 3 -0.082 4.734 -4.620 1.00 0.00 C ATOM 48 CD GLU A 3 0.436 6.155 -4.722 1.00 0.00 C ATOM 49 OE1 GLU A 3 1.174 6.451 -5.684 1.00 0.00 O ATOM 50 OE2 GLU A 3 0.102 6.972 -3.838 1.00 0.00 O ATOM 0 H GLU A 3 0.120 1.980 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.492 2.578 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.593 3.510 -4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.628 4.110 -5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.939 4.615 -5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -0.436 4.552 -3.605 1.00 0.00 H new ATOM 57 N GLU A 4 2.263 0.848 -5.701 1.00 0.00 N ATOM 58 CA GLU A 4 3.290 0.099 -6.415 1.00 0.00 C ATOM 59 C GLU A 4 2.664 -0.969 -7.307 1.00 0.00 C ATOM 60 O GLU A 4 3.079 -1.159 -8.450 1.00 0.00 O ATOM 61 CB GLU A 4 4.259 -0.551 -5.426 1.00 0.00 C ATOM 62 CG GLU A 4 4.848 0.424 -4.420 1.00 0.00 C ATOM 63 CD GLU A 4 6.013 -0.165 -3.649 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.802 -0.921 -4.252 1.00 0.00 O ATOM 65 OE2 GLU A 4 6.134 0.130 -2.442 1.00 0.00 O ATOM 0 H GLU A 4 2.258 0.701 -4.692 1.00 0.00 H new ATOM 0 HA GLU A 4 3.840 0.798 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.739 -1.344 -4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.070 -1.021 -5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.179 1.322 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.071 0.730 -3.719 1.00 0.00 H new ATOM 72 N MET A 5 1.663 -1.663 -6.776 1.00 0.00 N ATOM 73 CA MET A 5 0.979 -2.711 -7.524 1.00 0.00 C ATOM 74 C MET A 5 0.216 -2.125 -8.707 1.00 0.00 C ATOM 75 O MET A 5 0.257 -2.664 -9.813 1.00 0.00 O ATOM 76 CB MET A 5 0.018 -3.475 -6.610 1.00 0.00 C ATOM 77 CG MET A 5 0.627 -3.856 -5.271 1.00 0.00 C ATOM 78 SD MET A 5 -0.448 -4.929 -4.299 1.00 0.00 S ATOM 79 CE MET A 5 -1.864 -3.859 -4.057 1.00 0.00 C ATOM 0 H MET A 5 1.308 -1.519 -5.831 1.00 0.00 H new ATOM 0 HA MET A 5 1.732 -3.401 -7.906 1.00 0.00 H new ATOM 0 HB2 MET A 5 -0.868 -2.864 -6.436 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.313 -4.380 -7.120 1.00 0.00 H new ATOM 0 HG2 MET A 5 1.579 -4.359 -5.439 1.00 0.00 H new ATOM 0 HG3 MET A 5 0.840 -2.951 -4.703 1.00 0.00 H new ATOM 0 HE1 MET A 5 -1.957 -3.612 -2.999 1.00 0.00 H new ATOM 0 HE2 MET A 5 -1.731 -2.943 -4.633 1.00 0.00 H new ATOM 0 HE3 MET A 5 -2.767 -4.369 -4.391 1.00 0.00 H new ATOM 89 N VAL A 6 -0.481 -1.019 -8.467 1.00 0.00 N ATOM 90 CA VAL A 6 -1.253 -0.360 -9.514 1.00 0.00 C ATOM 91 C VAL A 6 -0.338 0.244 -10.574 1.00 0.00 C ATOM 92 O VAL A 6 -0.571 0.088 -11.773 1.00 0.00 O ATOM 93 CB VAL A 6 -2.151 0.749 -8.935 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.914 1.454 -10.046 1.00 0.00 C ATOM 95 CG2 VAL A 6 -3.108 0.174 -7.902 1.00 0.00 C ATOM 0 H VAL A 6 -0.527 -0.561 -7.557 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.881 -1.124 -9.973 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.517 1.484 -8.440 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.543 2.234 -9.617 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.208 1.901 -10.746 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.539 0.733 -10.573 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.735 0.971 -7.503 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.737 -0.583 -8.371 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.538 -0.280 -7.091 1.00 0.00 H new ATOM 105 N LYS A 7 0.705 0.933 -10.124 1.00 0.00 N ATOM 106 CA LYS A 7 1.657 1.560 -11.033 1.00 0.00 C ATOM 107 C LYS A 7 2.349 0.514 -11.902 1.00 0.00 C ATOM 108 O LYS A 7 2.492 0.693 -13.111 1.00 0.00 O ATOM 109 CB LYS A 7 2.701 2.353 -10.243 1.00 0.00 C ATOM 110 CG LYS A 7 2.226 3.734 -9.825 1.00 0.00 C ATOM 111 CD LYS A 7 3.391 4.634 -9.449 1.00 0.00 C ATOM 112 CE LYS A 7 3.695 4.560 -7.960 1.00 0.00 C ATOM 113 NZ LYS A 7 4.688 3.494 -7.650 1.00 0.00 N ATOM 0 H LYS A 7 0.913 1.071 -9.135 1.00 0.00 H new ATOM 0 HA LYS A 7 1.107 2.241 -11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.977 1.788 -9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.602 2.455 -10.848 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.663 4.188 -10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.546 3.645 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.275 4.343 -10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.160 5.663 -9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.077 5.522 -7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.773 4.369 -7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.470 3.075 -6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.646 2.757 -8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.643 3.905 -7.628 1.00 0.00 H new ATOM 127 N LYS A 8 2.776 -0.578 -11.277 1.00 0.00 N ATOM 128 CA LYS A 8 3.451 -1.655 -11.993 1.00 0.00 C ATOM 129 C LYS A 8 2.513 -2.307 -13.004 1.00 0.00 C ATOM 130 O LYS A 8 2.882 -2.521 -14.159 1.00 0.00 O ATOM 131 CB LYS A 8 3.967 -2.705 -11.007 1.00 0.00 C ATOM 132 CG LYS A 8 5.131 -3.521 -11.542 1.00 0.00 C ATOM 133 CD LYS A 8 4.656 -4.647 -12.445 1.00 0.00 C ATOM 134 CE LYS A 8 5.674 -5.774 -12.514 1.00 0.00 C ATOM 135 NZ LYS A 8 6.957 -5.327 -13.123 1.00 0.00 N ATOM 0 H LYS A 8 2.667 -0.741 -10.276 1.00 0.00 H new ATOM 0 HA LYS A 8 4.296 -1.227 -12.532 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.275 -2.207 -10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.151 -3.379 -10.747 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.808 -2.871 -12.096 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.698 -3.936 -10.709 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.707 -5.035 -12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.473 -4.259 -13.447 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.862 -6.155 -11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.264 -6.599 -13.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.606 -6.136 -13.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.775 -4.940 -14.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.387 -4.593 -12.526 1.00 0.00 H new ATOM 149 N CYS A 9 1.301 -2.621 -12.562 1.00 0.00 N ATOM 150 CA CYS A 9 0.310 -3.249 -13.429 1.00 0.00 C ATOM 151 C CYS A 9 0.014 -2.372 -14.641 1.00 0.00 C ATOM 152 O CYS A 9 0.055 -2.835 -15.781 1.00 0.00 O ATOM 153 CB CYS A 9 -0.980 -3.519 -12.652 1.00 0.00 C ATOM 154 SG CYS A 9 -2.318 -4.202 -13.658 1.00 0.00 S ATOM 0 H CYS A 9 0.980 -2.451 -11.609 1.00 0.00 H new ATOM 0 HA CYS A 9 0.719 -4.196 -13.780 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.763 -4.210 -11.837 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.320 -2.588 -12.198 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.286 -4.594 -12.884 1.00 0.00 H new ATOM 160 N LEU A 10 -0.287 -1.103 -14.387 1.00 0.00 N ATOM 161 CA LEU A 10 -0.592 -0.160 -15.457 1.00 0.00 C ATOM 162 C LEU A 10 0.592 -0.013 -16.407 1.00 0.00 C ATOM 163 O LEU A 10 0.420 0.058 -17.623 1.00 0.00 O ATOM 164 CB LEU A 10 -0.964 1.203 -14.871 1.00 0.00 C ATOM 165 CG LEU A 10 -2.348 1.738 -15.242 1.00 0.00 C ATOM 166 CD1 LEU A 10 -2.900 2.609 -14.124 1.00 0.00 C ATOM 167 CD2 LEU A 10 -2.286 2.518 -16.547 1.00 0.00 C ATOM 0 H LEU A 10 -0.326 -0.704 -13.449 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.440 -0.549 -16.021 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.901 1.139 -13.785 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.218 1.930 -15.191 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.019 0.891 -15.380 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.885 2.981 -14.405 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.982 2.020 -13.210 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.229 3.451 -13.954 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.280 2.891 -16.795 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.600 3.358 -16.437 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.934 1.864 -17.345 1.00 0.00 H new ATOM 179 N GLY A 11 1.795 0.031 -15.843 1.00 0.00 N ATOM 180 CA GLY A 11 2.990 0.168 -16.654 1.00 0.00 C ATOM 181 C GLY A 11 3.171 -0.987 -17.620 1.00 0.00 C ATOM 182 O GLY A 11 3.434 -0.779 -18.803 1.00 0.00 O ATOM 0 H GLY A 11 1.963 -0.026 -14.839 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.940 1.102 -17.214 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.862 0.233 -16.003 1.00 0.00 H new ATOM 186 N GLU A 12 3.029 -2.208 -17.113 1.00 0.00 N ATOM 187 CA GLU A 12 3.181 -3.400 -17.939 1.00 0.00 C ATOM 188 C GLU A 12 2.024 -3.529 -18.925 1.00 0.00 C ATOM 189 O GLU A 12 2.186 -4.060 -20.025 1.00 0.00 O ATOM 190 CB GLU A 12 3.260 -4.650 -17.061 1.00 0.00 C ATOM 191 CG GLU A 12 2.004 -4.899 -16.242 1.00 0.00 C ATOM 192 CD GLU A 12 2.009 -6.254 -15.563 1.00 0.00 C ATOM 193 OE1 GLU A 12 2.345 -7.253 -16.232 1.00 0.00 O ATOM 194 OE2 GLU A 12 1.678 -6.315 -14.360 1.00 0.00 O ATOM 0 H GLU A 12 2.809 -2.397 -16.135 1.00 0.00 H new ATOM 0 HA GLU A 12 4.108 -3.304 -18.504 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.449 -5.517 -17.694 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.111 -4.557 -16.386 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.907 -4.119 -15.487 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.131 -4.825 -16.891 1.00 0.00 H new ATOM 201 N LEU A 13 0.855 -3.041 -18.524 1.00 0.00 N ATOM 202 CA LEU A 13 -0.331 -3.102 -19.370 1.00 0.00 C ATOM 203 C LEU A 13 -0.158 -2.235 -20.613 1.00 0.00 C ATOM 204 O LEU A 13 -0.444 -2.666 -21.730 1.00 0.00 O ATOM 205 CB LEU A 13 -1.565 -2.651 -18.587 1.00 0.00 C ATOM 206 CG LEU A 13 -2.891 -3.294 -18.994 1.00 0.00 C ATOM 207 CD1 LEU A 13 -2.817 -4.806 -18.851 1.00 0.00 C ATOM 208 CD2 LEU A 13 -4.034 -2.732 -18.162 1.00 0.00 C ATOM 0 H LEU A 13 0.704 -2.598 -17.618 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.468 -4.136 -19.687 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.394 -2.856 -17.530 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.661 -1.570 -18.691 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.081 -3.058 -20.041 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.770 -5.246 -19.145 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.025 -5.194 -19.492 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.603 -5.063 -17.814 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.970 -3.201 -18.466 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.851 -2.936 -17.107 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.101 -1.655 -18.316 1.00 0.00 H new ATOM 220 N THR A 14 0.314 -1.008 -20.411 1.00 0.00 N ATOM 221 CA THR A 14 0.527 -0.080 -21.514 1.00 0.00 C ATOM 222 C THR A 14 1.499 -0.655 -22.538 1.00 0.00 C ATOM 223 O THR A 14 1.311 -0.495 -23.743 1.00 0.00 O ATOM 224 CB THR A 14 1.067 1.273 -21.014 1.00 0.00 C ATOM 225 OG1 THR A 14 0.171 1.830 -20.045 1.00 0.00 O ATOM 226 CG2 THR A 14 1.241 2.247 -22.170 1.00 0.00 C ATOM 0 H THR A 14 0.556 -0.635 -19.493 1.00 0.00 H new ATOM 0 HA THR A 14 -0.443 0.076 -21.986 1.00 0.00 H new ATOM 0 HB THR A 14 2.040 1.103 -20.553 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.202 1.295 -19.225 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.623 3.195 -21.792 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.945 1.833 -22.892 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.279 2.411 -22.655 1.00 0.00 H new ATOM 234 N GLU A 15 2.537 -1.326 -22.049 1.00 0.00 N ATOM 235 CA GLU A 15 3.539 -1.925 -22.923 1.00 0.00 C ATOM 236 C GLU A 15 2.951 -3.100 -23.699 1.00 0.00 C ATOM 237 O GLU A 15 3.148 -3.220 -24.909 1.00 0.00 O ATOM 238 CB GLU A 15 4.747 -2.391 -22.107 1.00 0.00 C ATOM 239 CG GLU A 15 5.500 -1.258 -21.432 1.00 0.00 C ATOM 240 CD GLU A 15 6.104 -0.285 -22.426 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.077 -0.664 -23.110 1.00 0.00 O ATOM 242 OE2 GLU A 15 5.603 0.855 -22.519 1.00 0.00 O ATOM 0 H GLU A 15 2.706 -1.468 -21.053 1.00 0.00 H new ATOM 0 HA GLU A 15 3.862 -1.167 -23.636 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.411 -3.096 -21.347 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.431 -2.931 -22.762 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.822 -0.720 -20.769 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.292 -1.674 -20.809 1.00 0.00 H new ATOM 249 N VAL A 16 2.229 -3.965 -22.994 1.00 0.00 N ATOM 250 CA VAL A 16 1.612 -5.131 -23.616 1.00 0.00 C ATOM 251 C VAL A 16 0.573 -4.715 -24.652 1.00 0.00 C ATOM 252 O VAL A 16 0.557 -5.231 -25.771 1.00 0.00 O ATOM 253 CB VAL A 16 0.941 -6.037 -22.567 1.00 0.00 C ATOM 254 CG1 VAL A 16 0.255 -7.216 -23.240 1.00 0.00 C ATOM 255 CG2 VAL A 16 1.962 -6.516 -21.546 1.00 0.00 C ATOM 0 H VAL A 16 2.057 -3.881 -21.992 1.00 0.00 H new ATOM 0 HA VAL A 16 2.410 -5.687 -24.108 1.00 0.00 H new ATOM 0 HB VAL A 16 0.182 -5.456 -22.043 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.213 -7.845 -22.483 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.506 -6.849 -23.929 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.992 -7.800 -23.791 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.471 -7.155 -20.812 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.745 -7.080 -22.052 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.403 -5.656 -21.041 1.00 0.00 H new ATOM 265 N CYS A 17 -0.291 -3.781 -24.273 1.00 0.00 N ATOM 266 CA CYS A 17 -1.335 -3.296 -25.169 1.00 0.00 C ATOM 267 C CYS A 17 -0.730 -2.548 -26.353 1.00 0.00 C ATOM 268 O CYS A 17 -1.212 -2.655 -27.481 1.00 0.00 O ATOM 269 CB CYS A 17 -2.301 -2.383 -24.414 1.00 0.00 C ATOM 270 SG CYS A 17 -3.190 -3.201 -23.068 1.00 0.00 S ATOM 0 H CYS A 17 -0.290 -3.344 -23.351 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.883 -4.158 -25.548 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.744 -1.539 -24.007 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.026 -1.976 -25.119 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.395 -3.349 -22.050 1.00 0.00 H new ATOM 276 N LYS A 18 0.328 -1.789 -26.089 1.00 0.00 N ATOM 277 CA LYS A 18 1.000 -1.022 -27.131 1.00 0.00 C ATOM 278 C LYS A 18 1.615 -1.946 -28.176 1.00 0.00 C ATOM 279 O LYS A 18 1.449 -1.737 -29.378 1.00 0.00 O ATOM 280 CB LYS A 18 2.085 -0.132 -26.519 1.00 0.00 C ATOM 281 CG LYS A 18 2.838 0.699 -27.543 1.00 0.00 C ATOM 282 CD LYS A 18 4.335 0.684 -27.281 1.00 0.00 C ATOM 283 CE LYS A 18 4.989 -0.562 -27.857 1.00 0.00 C ATOM 284 NZ LYS A 18 6.332 -0.808 -27.263 1.00 0.00 N ATOM 0 H LYS A 18 0.739 -1.689 -25.161 1.00 0.00 H new ATOM 0 HA LYS A 18 0.257 -0.393 -27.621 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.627 0.535 -25.788 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.795 -0.758 -25.979 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.639 0.314 -28.543 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.474 1.726 -27.519 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.791 1.571 -27.720 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.518 0.729 -26.207 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.348 -1.425 -27.676 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.084 -0.456 -28.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.745 -1.666 -27.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.952 0.004 -27.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.239 -0.935 -26.235 1.00 0.00 H new ATOM 298 N SER A 19 2.324 -2.969 -27.711 1.00 0.00 N ATOM 299 CA SER A 19 2.966 -3.925 -28.606 1.00 0.00 C ATOM 300 C SER A 19 1.926 -4.697 -29.413 1.00 0.00 C ATOM 301 O SER A 19 2.060 -4.861 -30.626 1.00 0.00 O ATOM 302 CB SER A 19 3.835 -4.899 -27.809 1.00 0.00 C ATOM 303 OG SER A 19 4.682 -5.646 -28.665 1.00 0.00 O ATOM 0 H SER A 19 2.469 -3.158 -26.719 1.00 0.00 H new ATOM 0 HA SER A 19 3.598 -3.369 -29.298 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.438 -4.347 -27.088 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.199 -5.577 -27.240 1.00 0.00 H new ATOM 0 HG SER A 19 5.228 -6.260 -28.131 1.00 0.00 H new ATOM 309 N LEU A 20 0.889 -5.169 -28.730 1.00 0.00 N ATOM 310 CA LEU A 20 -0.176 -5.925 -29.381 1.00 0.00 C ATOM 311 C LEU A 20 -0.860 -5.086 -30.456 1.00 0.00 C ATOM 312 O LEU A 20 -1.144 -5.572 -31.550 1.00 0.00 O ATOM 313 CB LEU A 20 -1.204 -6.389 -28.348 1.00 0.00 C ATOM 314 CG LEU A 20 -1.380 -7.901 -28.209 1.00 0.00 C ATOM 315 CD1 LEU A 20 -0.044 -8.570 -27.927 1.00 0.00 C ATOM 316 CD2 LEU A 20 -2.382 -8.222 -27.109 1.00 0.00 C ATOM 0 H LEU A 20 0.763 -5.042 -27.726 1.00 0.00 H new ATOM 0 HA LEU A 20 0.270 -6.798 -29.857 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.920 -5.986 -27.376 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.170 -5.953 -28.605 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.767 -8.291 -29.151 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.189 -9.646 -27.831 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.644 -8.368 -28.748 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.372 -8.176 -27.000 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.495 -9.303 -27.024 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.024 -7.819 -26.162 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.346 -7.775 -27.353 1.00 0.00 H new ATOM 328 N GLY A 21 -1.120 -3.822 -30.136 1.00 0.00 N ATOM 329 CA GLY A 21 -1.767 -2.935 -31.085 1.00 0.00 C ATOM 330 C GLY A 21 -0.858 -2.556 -32.237 1.00 0.00 C ATOM 331 O GLY A 21 -1.319 -2.341 -33.358 1.00 0.00 O ATOM 0 H GLY A 21 -0.894 -3.397 -29.237 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.662 -3.418 -31.476 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.092 -2.031 -30.570 1.00 0.00 H new ATOM 335 N LYS A 22 0.439 -2.471 -31.962 1.00 0.00 N ATOM 336 CA LYS A 22 1.417 -2.114 -32.983 1.00 0.00 C ATOM 337 C LYS A 22 1.533 -3.215 -34.033 1.00 0.00 C ATOM 338 O LYS A 22 1.522 -2.944 -35.234 1.00 0.00 O ATOM 339 CB LYS A 22 2.784 -1.860 -32.343 1.00 0.00 C ATOM 340 CG LYS A 22 3.304 -0.449 -32.560 1.00 0.00 C ATOM 341 CD LYS A 22 4.200 -0.367 -33.784 1.00 0.00 C ATOM 342 CE LYS A 22 4.862 0.997 -33.900 1.00 0.00 C ATOM 343 NZ LYS A 22 3.934 2.018 -34.460 1.00 0.00 N ATOM 0 H LYS A 22 0.838 -2.645 -31.039 1.00 0.00 H new ATOM 0 HA LYS A 22 1.077 -1.202 -33.473 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.716 -2.053 -31.272 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.504 -2.570 -32.750 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.464 0.235 -32.677 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.859 -0.125 -31.679 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.966 -1.141 -33.728 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.612 -0.565 -34.680 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.205 1.319 -32.917 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.744 0.920 -34.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.423 2.934 -34.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.626 1.724 -35.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.104 2.110 -33.840 1.00 0.00 H new ATOM 357 N VAL A 23 1.642 -4.457 -33.573 1.00 0.00 N ATOM 358 CA VAL A 23 1.757 -5.598 -34.473 1.00 0.00 C ATOM 359 C VAL A 23 0.456 -5.832 -35.232 1.00 0.00 C ATOM 360 O VAL A 23 0.468 -6.155 -36.420 1.00 0.00 O ATOM 361 CB VAL A 23 2.129 -6.882 -33.707 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.520 -6.759 -33.103 1.00 0.00 C ATOM 363 CG2 VAL A 23 1.096 -7.178 -32.630 1.00 0.00 C ATOM 0 H VAL A 23 1.653 -4.699 -32.582 1.00 0.00 H new ATOM 0 HA VAL A 23 2.551 -5.363 -35.182 1.00 0.00 H new ATOM 0 HB VAL A 23 2.136 -7.715 -34.410 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.766 -7.675 -32.566 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.249 -6.598 -33.897 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.544 -5.916 -32.412 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.375 -8.088 -32.099 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.055 -6.346 -31.927 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.118 -7.312 -33.091 1.00 0.00 H new ATOM 373 N PHE A 24 -0.665 -5.666 -34.539 1.00 0.00 N ATOM 374 CA PHE A 24 -1.976 -5.859 -35.149 1.00 0.00 C ATOM 375 C PHE A 24 -2.212 -4.847 -36.265 1.00 0.00 C ATOM 376 O PHE A 24 -3.060 -5.049 -37.133 1.00 0.00 O ATOM 377 CB PHE A 24 -3.076 -5.736 -34.092 1.00 0.00 C ATOM 378 CG PHE A 24 -3.636 -7.058 -33.652 1.00 0.00 C ATOM 379 CD1 PHE A 24 -2.795 -8.122 -33.368 1.00 0.00 C ATOM 380 CD2 PHE A 24 -5.004 -7.238 -33.524 1.00 0.00 C ATOM 381 CE1 PHE A 24 -3.307 -9.340 -32.963 1.00 0.00 C ATOM 382 CE2 PHE A 24 -5.522 -8.453 -33.118 1.00 0.00 C ATOM 383 CZ PHE A 24 -4.673 -9.506 -32.839 1.00 0.00 C ATOM 0 H PHE A 24 -0.693 -5.398 -33.555 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.005 -6.860 -35.580 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.677 -5.212 -33.223 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.884 -5.123 -34.490 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.726 -7.998 -33.464 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.673 -6.419 -33.744 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.640 -10.161 -32.744 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.590 -8.579 -33.019 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.076 -10.457 -32.525 1.00 0.00 H new ATOM 393 N GLY A 25 -1.453 -3.755 -36.236 1.00 0.00 N ATOM 394 CA GLY A 25 -1.594 -2.726 -37.250 1.00 0.00 C ATOM 395 C GLY A 25 -2.633 -1.687 -36.881 1.00 0.00 C ATOM 396 O GLY A 25 -3.278 -1.105 -37.753 1.00 0.00 O ATOM 0 H GLY A 25 -0.743 -3.565 -35.528 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.632 -2.236 -37.402 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.869 -3.189 -38.198 1.00 0.00 H new ATOM 400 N VAL A 26 -2.799 -1.453 -35.582 1.00 0.00 N ATOM 401 CA VAL A 26 -3.768 -0.477 -35.099 1.00 0.00 C ATOM 402 C VAL A 26 -3.132 0.477 -34.094 1.00 0.00 C ATOM 403 O VAL A 26 -1.928 0.420 -33.843 1.00 0.00 O ATOM 404 CB VAL A 26 -4.978 -1.166 -34.441 1.00 0.00 C ATOM 405 CG1 VAL A 26 -5.679 -2.078 -35.436 1.00 0.00 C ATOM 406 CG2 VAL A 26 -4.543 -1.942 -33.208 1.00 0.00 C ATOM 0 H VAL A 26 -2.275 -1.926 -34.846 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.108 0.088 -35.967 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.686 -0.398 -34.128 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.531 -2.556 -34.953 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.026 -1.491 -36.286 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.983 -2.842 -35.783 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.411 -2.422 -32.756 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.816 -2.702 -33.494 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.091 -1.259 -32.489 1.00 0.00 H new ATOM 416 N HIS A 27 -3.949 1.355 -33.520 1.00 0.00 N ATOM 417 CA HIS A 27 -3.467 2.322 -32.541 1.00 0.00 C ATOM 418 C HIS A 27 -3.719 1.827 -31.119 1.00 0.00 C ATOM 419 O HIS A 27 -4.344 0.786 -30.916 1.00 0.00 O ATOM 420 CB HIS A 27 -4.147 3.675 -32.750 1.00 0.00 C ATOM 421 CG HIS A 27 -3.598 4.448 -33.910 1.00 0.00 C ATOM 422 ND1 HIS A 27 -3.911 5.769 -34.150 1.00 0.00 N ATOM 423 CD2 HIS A 27 -2.751 4.078 -34.899 1.00 0.00 C ATOM 424 CE1 HIS A 27 -3.282 6.178 -35.237 1.00 0.00 C ATOM 425 NE2 HIS A 27 -2.571 5.171 -35.711 1.00 0.00 N ATOM 0 H HIS A 27 -4.948 1.416 -33.716 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.392 2.439 -32.682 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.215 3.516 -32.902 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.039 4.270 -31.843 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.301 3.105 -35.026 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.339 7.168 -35.665 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -1.984 5.200 -36.544 1.00 0.00 H new ATOM 433 N TYR A 28 -3.229 2.580 -30.141 1.00 0.00 N ATOM 434 CA TYR A 28 -3.398 2.216 -28.739 1.00 0.00 C ATOM 435 C TYR A 28 -4.857 2.356 -28.312 1.00 0.00 C ATOM 436 O TYR A 28 -5.431 1.446 -27.714 1.00 0.00 O ATOM 437 CB TYR A 28 -2.510 3.091 -27.852 1.00 0.00 C ATOM 438 CG TYR A 28 -1.110 3.276 -28.393 1.00 0.00 C ATOM 439 CD1 TYR A 28 -0.409 2.209 -28.941 1.00 0.00 C ATOM 440 CD2 TYR A 28 -0.490 4.519 -28.357 1.00 0.00 C ATOM 441 CE1 TYR A 28 0.870 2.374 -29.435 1.00 0.00 C ATOM 442 CE2 TYR A 28 0.789 4.693 -28.851 1.00 0.00 C ATOM 443 CZ TYR A 28 1.465 3.618 -29.388 1.00 0.00 C ATOM 444 OH TYR A 28 2.739 3.787 -29.881 1.00 0.00 O ATOM 0 H TYR A 28 -2.712 3.446 -30.293 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.102 1.173 -28.623 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.978 4.069 -27.736 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.451 2.645 -26.859 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.872 1.234 -28.981 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.016 5.363 -27.936 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.402 1.534 -29.856 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.256 5.666 -28.817 1.00 0.00 H new ATOM 0 HH TYR A 28 3.010 4.723 -29.773 1.00 0.00 H new ATOM 454 N PHE A 29 -5.451 3.503 -28.625 1.00 0.00 N ATOM 455 CA PHE A 29 -6.842 3.764 -28.275 1.00 0.00 C ATOM 456 C PHE A 29 -7.784 2.898 -29.107 1.00 0.00 C ATOM 457 O PHE A 29 -8.978 2.814 -28.825 1.00 0.00 O ATOM 458 CB PHE A 29 -7.173 5.243 -28.483 1.00 0.00 C ATOM 459 CG PHE A 29 -6.250 6.173 -27.751 1.00 0.00 C ATOM 460 CD1 PHE A 29 -5.918 5.940 -26.426 1.00 0.00 C ATOM 461 CD2 PHE A 29 -5.714 7.282 -28.386 1.00 0.00 C ATOM 462 CE1 PHE A 29 -5.068 6.794 -25.749 1.00 0.00 C ATOM 463 CE2 PHE A 29 -4.863 8.139 -27.714 1.00 0.00 C ATOM 464 CZ PHE A 29 -4.541 7.895 -26.394 1.00 0.00 C ATOM 0 H PHE A 29 -4.990 4.266 -29.120 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.980 3.512 -27.223 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.134 5.469 -29.549 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.196 5.427 -28.156 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.328 5.081 -25.916 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.964 7.479 -29.418 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.816 6.600 -24.717 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.450 8.999 -28.221 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.878 8.565 -25.867 1.00 0.00 H new ATOM 474 N ASN A 30 -7.236 2.255 -30.133 1.00 0.00 N ATOM 475 CA ASN A 30 -8.027 1.396 -31.007 1.00 0.00 C ATOM 476 C ASN A 30 -8.392 0.093 -30.304 1.00 0.00 C ATOM 477 O ASN A 30 -9.351 -0.580 -30.681 1.00 0.00 O ATOM 478 CB ASN A 30 -7.256 1.096 -32.294 1.00 0.00 C ATOM 479 CG ASN A 30 -8.074 0.287 -33.283 1.00 0.00 C ATOM 480 OD1 ASN A 30 -8.763 0.844 -34.138 1.00 0.00 O ATOM 481 ND2 ASN A 30 -8.002 -1.034 -33.169 1.00 0.00 N ATOM 0 H ASN A 30 -6.248 2.312 -30.380 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.948 1.923 -31.257 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.952 2.034 -32.759 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.344 0.551 -32.049 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.531 -1.630 -33.805 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.418 -1.452 -32.445 1.00 0.00 H new ATOM 488 N ILE A 31 -7.621 -0.256 -29.279 1.00 0.00 N ATOM 489 CA ILE A 31 -7.864 -1.477 -28.522 1.00 0.00 C ATOM 490 C ILE A 31 -8.264 -1.163 -27.084 1.00 0.00 C ATOM 491 O ILE A 31 -9.190 -1.764 -26.540 1.00 0.00 O ATOM 492 CB ILE A 31 -6.623 -2.389 -28.510 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.363 -1.567 -28.232 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.498 -3.131 -29.832 1.00 0.00 C ATOM 495 CD1 ILE A 31 -4.093 -2.390 -28.232 1.00 0.00 C ATOM 0 H ILE A 31 -6.823 0.290 -28.954 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.683 -1.998 -29.019 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.738 -3.124 -27.713 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.278 -0.782 -28.983 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.467 -1.073 -27.266 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.616 -3.771 -29.808 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.386 -3.742 -29.991 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.402 -2.412 -30.645 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.240 -1.743 -28.028 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.157 -3.158 -27.462 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.966 -2.862 -29.206 1.00 0.00 H new ATOM 507 N PHE A 32 -7.560 -0.215 -26.474 1.00 0.00 N ATOM 508 CA PHE A 32 -7.842 0.181 -25.099 1.00 0.00 C ATOM 509 C PHE A 32 -7.469 1.643 -24.867 1.00 0.00 C ATOM 510 O PHE A 32 -6.514 2.151 -25.453 1.00 0.00 O ATOM 511 CB PHE A 32 -7.077 -0.713 -24.122 1.00 0.00 C ATOM 512 CG PHE A 32 -7.689 -2.074 -23.951 1.00 0.00 C ATOM 513 CD1 PHE A 32 -9.040 -2.212 -23.678 1.00 0.00 C ATOM 514 CD2 PHE A 32 -6.912 -3.216 -24.062 1.00 0.00 C ATOM 515 CE1 PHE A 32 -9.606 -3.463 -23.520 1.00 0.00 C ATOM 516 CE2 PHE A 32 -7.473 -4.470 -23.906 1.00 0.00 C ATOM 517 CZ PHE A 32 -8.821 -4.593 -23.633 1.00 0.00 C ATOM 0 H PHE A 32 -6.790 0.293 -26.910 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.912 0.065 -24.926 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.051 -0.826 -24.472 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.030 -0.220 -23.151 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.659 -1.331 -23.588 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.857 -3.126 -24.273 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.661 -3.556 -23.308 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.857 -5.353 -23.998 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.260 -5.572 -23.508 1.00 0.00 H new ATOM 527 N ASN A 33 -8.231 2.312 -24.009 1.00 0.00 N ATOM 528 CA ASN A 33 -7.983 3.716 -23.699 1.00 0.00 C ATOM 529 C ASN A 33 -7.461 3.875 -22.275 1.00 0.00 C ATOM 530 O ASN A 33 -7.284 2.893 -21.553 1.00 0.00 O ATOM 531 CB ASN A 33 -9.263 4.534 -23.880 1.00 0.00 C ATOM 532 CG ASN A 33 -10.509 3.740 -23.538 1.00 0.00 C ATOM 533 OD1 ASN A 33 -10.504 2.920 -22.620 1.00 0.00 O ATOM 534 ND2 ASN A 33 -11.585 3.981 -24.279 1.00 0.00 N ATOM 0 H ASN A 33 -9.026 1.905 -23.516 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.224 4.086 -24.388 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.216 5.421 -23.249 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.327 4.880 -24.912 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.453 3.477 -24.097 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.543 4.670 -25.030 1.00 0.00 H new ATOM 541 N THR A 34 -7.216 5.119 -21.875 1.00 0.00 N ATOM 542 CA THR A 34 -6.714 5.407 -20.537 1.00 0.00 C ATOM 543 C THR A 34 -7.718 4.984 -19.470 1.00 0.00 C ATOM 544 O THR A 34 -7.341 4.456 -18.424 1.00 0.00 O ATOM 545 CB THR A 34 -6.400 6.905 -20.366 1.00 0.00 C ATOM 546 OG1 THR A 34 -5.962 7.164 -19.027 1.00 0.00 O ATOM 547 CG2 THR A 34 -7.624 7.754 -20.677 1.00 0.00 C ATOM 0 H THR A 34 -7.357 5.943 -22.459 1.00 0.00 H new ATOM 0 HA THR A 34 -5.795 4.834 -20.414 1.00 0.00 H new ATOM 0 HB THR A 34 -5.607 7.169 -21.065 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.763 8.118 -18.927 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.378 8.808 -20.549 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.938 7.577 -21.706 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.434 7.486 -19.999 1.00 0.00 H new ATOM 555 N VAL A 35 -8.998 5.219 -19.742 1.00 0.00 N ATOM 556 CA VAL A 35 -10.056 4.860 -18.806 1.00 0.00 C ATOM 557 C VAL A 35 -10.075 3.358 -18.546 1.00 0.00 C ATOM 558 O VAL A 35 -10.210 2.915 -17.405 1.00 0.00 O ATOM 559 CB VAL A 35 -11.438 5.297 -19.327 1.00 0.00 C ATOM 560 CG1 VAL A 35 -11.694 4.720 -20.711 1.00 0.00 C ATOM 561 CG2 VAL A 35 -12.530 4.878 -18.355 1.00 0.00 C ATOM 0 H VAL A 35 -9.327 5.656 -20.603 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.844 5.384 -17.874 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.451 6.384 -19.405 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.675 5.039 -21.063 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.928 5.075 -21.401 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.663 3.632 -20.663 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.500 5.195 -18.739 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.521 3.794 -18.243 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -12.353 5.345 -17.386 1.00 0.00 H new ATOM 571 N THR A 36 -9.937 2.577 -19.613 1.00 0.00 N ATOM 572 CA THR A 36 -9.939 1.124 -19.502 1.00 0.00 C ATOM 573 C THR A 36 -8.718 0.630 -18.734 1.00 0.00 C ATOM 574 O THR A 36 -8.839 -0.161 -17.797 1.00 0.00 O ATOM 575 CB THR A 36 -9.964 0.454 -20.889 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.219 0.705 -21.531 1.00 0.00 O ATOM 577 CG2 THR A 36 -9.740 -1.046 -20.770 1.00 0.00 C ATOM 0 H THR A 36 -9.822 2.927 -20.564 1.00 0.00 H new ATOM 0 HA THR A 36 -10.843 0.850 -18.958 1.00 0.00 H new ATOM 0 HB THR A 36 -9.158 0.879 -21.488 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.105 1.402 -22.211 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.762 -1.497 -21.762 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.771 -1.234 -20.307 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.526 -1.484 -20.155 1.00 0.00 H new ATOM 585 N LEU A 37 -7.543 1.101 -19.134 1.00 0.00 N ATOM 586 CA LEU A 37 -6.298 0.708 -18.482 1.00 0.00 C ATOM 587 C LEU A 37 -6.324 1.065 -17.000 1.00 0.00 C ATOM 588 O LEU A 37 -5.932 0.264 -16.150 1.00 0.00 O ATOM 589 CB LEU A 37 -5.107 1.386 -19.161 1.00 0.00 C ATOM 590 CG LEU A 37 -5.006 1.206 -20.677 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.428 2.454 -21.325 1.00 0.00 C ATOM 592 CD2 LEU A 37 -4.160 -0.013 -21.014 1.00 0.00 C ATOM 0 H LEU A 37 -7.425 1.756 -19.907 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.194 -0.373 -18.575 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.150 2.453 -18.944 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.191 1.005 -18.708 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.009 1.048 -21.073 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.364 2.308 -22.403 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.073 3.306 -21.112 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.432 2.644 -20.925 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.099 -0.126 -22.096 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.158 0.116 -20.606 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.616 -0.903 -20.582 1.00 0.00 H new ATOM 604 N LYS A 38 -6.790 2.271 -16.695 1.00 0.00 N ATOM 605 CA LYS A 38 -6.871 2.734 -15.315 1.00 0.00 C ATOM 606 C LYS A 38 -7.825 1.864 -14.504 1.00 0.00 C ATOM 607 O LYS A 38 -7.545 1.521 -13.355 1.00 0.00 O ATOM 608 CB LYS A 38 -7.332 4.193 -15.271 1.00 0.00 C ATOM 609 CG LYS A 38 -6.208 5.193 -15.482 1.00 0.00 C ATOM 610 CD LYS A 38 -6.719 6.483 -16.102 1.00 0.00 C ATOM 611 CE LYS A 38 -7.587 7.264 -15.127 1.00 0.00 C ATOM 612 NZ LYS A 38 -6.768 8.047 -14.161 1.00 0.00 N ATOM 0 H LYS A 38 -7.118 2.946 -17.386 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.877 2.660 -14.875 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.093 4.348 -16.036 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.804 4.387 -14.308 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.730 5.411 -14.527 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.446 4.755 -16.127 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.875 7.098 -16.412 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.294 6.254 -17.000 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.239 7.939 -15.681 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.232 6.575 -14.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.396 8.565 -13.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.164 7.401 -13.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.171 8.723 -14.680 1.00 0.00 H new ATOM 626 N LYS A 39 -8.953 1.508 -15.109 1.00 0.00 N ATOM 627 CA LYS A 39 -9.948 0.674 -14.445 1.00 0.00 C ATOM 628 C LYS A 39 -9.366 -0.689 -14.088 1.00 0.00 C ATOM 629 O LYS A 39 -9.524 -1.169 -12.965 1.00 0.00 O ATOM 630 CB LYS A 39 -11.176 0.498 -15.342 1.00 0.00 C ATOM 631 CG LYS A 39 -12.444 1.102 -14.764 1.00 0.00 C ATOM 632 CD LYS A 39 -12.840 2.373 -15.496 1.00 0.00 C ATOM 633 CE LYS A 39 -12.014 3.563 -15.033 1.00 0.00 C ATOM 634 NZ LYS A 39 -12.794 4.467 -14.142 1.00 0.00 N ATOM 0 H LYS A 39 -9.201 1.784 -16.059 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.247 1.173 -13.523 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -10.976 0.954 -16.311 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.338 -0.566 -15.518 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.255 0.377 -14.827 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.294 1.321 -13.707 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.708 2.232 -16.569 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.898 2.576 -15.329 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.129 3.207 -14.505 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.664 4.122 -15.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.196 5.265 -13.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.625 4.827 -14.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.107 3.941 -13.301 1.00 0.00 H new ATOM 648 N LEU A 40 -8.690 -1.309 -15.050 1.00 0.00 N ATOM 649 CA LEU A 40 -8.082 -2.618 -14.836 1.00 0.00 C ATOM 650 C LEU A 40 -7.032 -2.556 -13.732 1.00 0.00 C ATOM 651 O LEU A 40 -7.138 -3.249 -12.721 1.00 0.00 O ATOM 652 CB LEU A 40 -7.447 -3.124 -16.132 1.00 0.00 C ATOM 653 CG LEU A 40 -8.375 -3.215 -17.344 1.00 0.00 C ATOM 654 CD1 LEU A 40 -7.573 -3.173 -18.635 1.00 0.00 C ATOM 655 CD2 LEU A 40 -9.216 -4.482 -17.277 1.00 0.00 C ATOM 0 H LEU A 40 -8.549 -0.926 -15.985 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.866 -3.310 -14.528 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.615 -2.467 -16.386 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.028 -4.113 -15.946 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.046 -2.356 -17.330 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.250 -3.239 -19.486 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.015 -2.238 -18.687 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.878 -4.012 -18.659 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.871 -4.531 -18.147 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.561 -5.353 -17.266 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.819 -4.471 -16.369 1.00 0.00 H new ATOM 667 N ALA A 41 -6.018 -1.720 -13.932 1.00 0.00 N ATOM 668 CA ALA A 41 -4.951 -1.565 -12.952 1.00 0.00 C ATOM 669 C ALA A 41 -5.513 -1.208 -11.580 1.00 0.00 C ATOM 670 O ALA A 41 -4.967 -1.609 -10.553 1.00 0.00 O ATOM 671 CB ALA A 41 -3.962 -0.503 -13.411 1.00 0.00 C ATOM 0 H ALA A 41 -5.914 -1.140 -14.764 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.430 -2.519 -12.866 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.170 -0.398 -12.669 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.527 -0.799 -14.366 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.479 0.450 -13.527 1.00 0.00 H new ATOM 677 N GLU A 42 -6.607 -0.452 -11.572 1.00 0.00 N ATOM 678 CA GLU A 42 -7.241 -0.041 -10.325 1.00 0.00 C ATOM 679 C GLU A 42 -7.845 -1.240 -9.600 1.00 0.00 C ATOM 680 O GLU A 42 -7.665 -1.406 -8.394 1.00 0.00 O ATOM 681 CB GLU A 42 -8.326 1.003 -10.599 1.00 0.00 C ATOM 682 CG GLU A 42 -7.806 2.431 -10.615 1.00 0.00 C ATOM 683 CD GLU A 42 -8.849 3.425 -11.087 1.00 0.00 C ATOM 684 OE1 GLU A 42 -9.313 3.297 -12.239 1.00 0.00 O ATOM 685 OE2 GLU A 42 -9.201 4.332 -10.304 1.00 0.00 O ATOM 0 H GLU A 42 -7.072 -0.112 -12.414 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.476 0.400 -9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.794 0.785 -11.559 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.102 0.916 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.475 2.705 -9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.933 2.489 -11.266 1.00 0.00 H new ATOM 692 N SER A 43 -8.564 -2.074 -10.346 1.00 0.00 N ATOM 693 CA SER A 43 -9.199 -3.256 -9.775 1.00 0.00 C ATOM 694 C SER A 43 -8.155 -4.300 -9.389 1.00 0.00 C ATOM 695 O SER A 43 -8.156 -4.812 -8.269 1.00 0.00 O ATOM 696 CB SER A 43 -10.194 -3.857 -10.769 1.00 0.00 C ATOM 697 OG SER A 43 -11.236 -4.542 -10.096 1.00 0.00 O ATOM 0 H SER A 43 -8.721 -1.953 -11.347 1.00 0.00 H new ATOM 0 HA SER A 43 -9.734 -2.952 -8.875 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.616 -3.066 -11.389 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.675 -4.544 -11.437 1.00 0.00 H new ATOM 0 HG SER A 43 -11.860 -4.916 -10.753 1.00 0.00 H new ATOM 703 N LEU A 44 -7.266 -4.612 -10.326 1.00 0.00 N ATOM 704 CA LEU A 44 -6.215 -5.596 -10.086 1.00 0.00 C ATOM 705 C LEU A 44 -6.800 -6.893 -9.536 1.00 0.00 C ATOM 706 O LEU A 44 -6.661 -7.195 -8.350 1.00 0.00 O ATOM 707 CB LEU A 44 -5.179 -5.036 -9.110 1.00 0.00 C ATOM 708 CG LEU A 44 -3.981 -4.323 -9.739 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.413 -3.288 -8.781 1.00 0.00 C ATOM 710 CD2 LEU A 44 -2.911 -5.329 -10.138 1.00 0.00 C ATOM 0 H LEU A 44 -7.252 -4.198 -11.258 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.729 -5.813 -11.037 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.681 -4.338 -8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.807 -5.856 -8.496 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.319 -3.808 -10.638 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.561 -2.791 -9.246 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.180 -2.550 -8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.090 -3.780 -7.864 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.066 -4.804 -10.584 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.575 -5.873 -9.255 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.324 -6.032 -10.861 1.00 0.00 H new ATOM 722 N SER A 45 -7.451 -7.658 -10.405 1.00 0.00 N ATOM 723 CA SER A 45 -8.058 -8.923 -10.007 1.00 0.00 C ATOM 724 C SER A 45 -8.240 -9.842 -11.211 1.00 0.00 C ATOM 725 O SER A 45 -8.683 -9.409 -12.274 1.00 0.00 O ATOM 726 CB SER A 45 -9.408 -8.675 -9.332 1.00 0.00 C ATOM 727 OG SER A 45 -10.212 -7.801 -10.106 1.00 0.00 O ATOM 0 H SER A 45 -7.572 -7.424 -11.390 1.00 0.00 H new ATOM 0 HA SER A 45 -7.389 -9.411 -9.298 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.927 -9.623 -9.191 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.250 -8.248 -8.342 1.00 0.00 H new ATOM 0 HG SER A 45 -10.684 -7.180 -9.513 1.00 0.00 H new ATOM 733 N SER A 46 -7.893 -11.113 -11.035 1.00 0.00 N ATOM 734 CA SER A 46 -8.013 -12.094 -12.107 1.00 0.00 C ATOM 735 C SER A 46 -9.478 -12.330 -12.465 1.00 0.00 C ATOM 736 O SER A 46 -9.813 -12.577 -13.624 1.00 0.00 O ATOM 737 CB SER A 46 -7.357 -13.413 -11.697 1.00 0.00 C ATOM 738 OG SER A 46 -6.553 -13.245 -10.542 1.00 0.00 O ATOM 0 H SER A 46 -7.526 -11.488 -10.160 1.00 0.00 H new ATOM 0 HA SER A 46 -7.501 -11.701 -12.985 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.126 -14.161 -11.503 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.746 -13.790 -12.518 1.00 0.00 H new ATOM 0 HG SER A 46 -6.887 -13.822 -9.824 1.00 0.00 H new ATOM 744 N ASP A 47 -10.345 -12.253 -11.462 1.00 0.00 N ATOM 745 CA ASP A 47 -11.774 -12.458 -11.669 1.00 0.00 C ATOM 746 C ASP A 47 -12.279 -11.620 -12.840 1.00 0.00 C ATOM 747 O ASP A 47 -12.393 -10.397 -12.756 1.00 0.00 O ATOM 748 CB ASP A 47 -12.551 -12.103 -10.400 1.00 0.00 C ATOM 749 CG ASP A 47 -12.217 -13.022 -9.241 1.00 0.00 C ATOM 750 OD1 ASP A 47 -11.596 -14.079 -9.481 1.00 0.00 O ATOM 751 OD2 ASP A 47 -12.575 -12.684 -8.094 1.00 0.00 O ATOM 0 H ASP A 47 -10.084 -12.050 -10.497 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.935 -13.511 -11.902 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.331 -11.073 -10.119 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.620 -12.156 -10.605 1.00 0.00 H new ATOM 756 N PRO A 48 -12.587 -12.292 -13.959 1.00 0.00 N ATOM 757 CA PRO A 48 -13.084 -11.629 -15.169 1.00 0.00 C ATOM 758 C PRO A 48 -14.496 -11.082 -14.991 1.00 0.00 C ATOM 759 O PRO A 48 -15.006 -10.366 -15.852 1.00 0.00 O ATOM 760 CB PRO A 48 -13.071 -12.746 -16.216 1.00 0.00 C ATOM 761 CG PRO A 48 -13.190 -14.005 -15.428 1.00 0.00 C ATOM 762 CD PRO A 48 -12.475 -13.750 -14.130 1.00 0.00 C ATOM 0 HA PRO A 48 -12.477 -10.765 -15.440 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.897 -12.639 -16.919 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -12.151 -12.730 -16.800 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.236 -14.259 -15.254 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.743 -14.843 -15.962 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.939 -14.288 -13.303 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.434 -14.070 -14.175 1.00 0.00 H new ATOM 770 N GLU A 49 -15.122 -11.424 -13.869 1.00 0.00 N ATOM 771 CA GLU A 49 -16.476 -10.966 -13.581 1.00 0.00 C ATOM 772 C GLU A 49 -16.495 -9.466 -13.304 1.00 0.00 C ATOM 773 O GLU A 49 -17.307 -8.730 -13.866 1.00 0.00 O ATOM 774 CB GLU A 49 -17.050 -11.724 -12.382 1.00 0.00 C ATOM 775 CG GLU A 49 -17.189 -13.219 -12.617 1.00 0.00 C ATOM 776 CD GLU A 49 -18.446 -13.793 -11.993 1.00 0.00 C ATOM 777 OE1 GLU A 49 -18.540 -13.799 -10.748 1.00 0.00 O ATOM 778 OE2 GLU A 49 -19.335 -14.237 -12.749 1.00 0.00 O ATOM 0 H GLU A 49 -14.714 -12.016 -13.146 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.093 -11.164 -14.457 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.408 -11.559 -11.517 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.028 -11.311 -12.136 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.198 -13.415 -13.689 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.318 -13.730 -12.207 1.00 0.00 H new ATOM 785 N VAL A 50 -15.596 -9.019 -12.433 1.00 0.00 N ATOM 786 CA VAL A 50 -15.509 -7.606 -12.081 1.00 0.00 C ATOM 787 C VAL A 50 -15.031 -6.774 -13.265 1.00 0.00 C ATOM 788 O VAL A 50 -15.450 -5.629 -13.443 1.00 0.00 O ATOM 789 CB VAL A 50 -14.556 -7.382 -10.892 1.00 0.00 C ATOM 790 CG1 VAL A 50 -15.190 -7.875 -9.600 1.00 0.00 C ATOM 791 CG2 VAL A 50 -13.224 -8.073 -11.139 1.00 0.00 C ATOM 0 H VAL A 50 -14.918 -9.614 -11.958 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.512 -7.287 -11.798 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.371 -6.312 -10.793 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.502 -7.709 -8.771 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -16.116 -7.330 -9.418 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -15.406 -8.940 -9.684 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.563 -7.904 -10.289 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.387 -9.143 -11.265 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.766 -7.668 -12.041 1.00 0.00 H new ATOM 801 N LEU A 51 -14.151 -7.355 -14.073 1.00 0.00 N ATOM 802 CA LEU A 51 -13.615 -6.667 -15.242 1.00 0.00 C ATOM 803 C LEU A 51 -14.699 -6.456 -16.295 1.00 0.00 C ATOM 804 O LEU A 51 -14.745 -5.417 -16.955 1.00 0.00 O ATOM 805 CB LEU A 51 -12.455 -7.464 -15.841 1.00 0.00 C ATOM 806 CG LEU A 51 -11.436 -8.018 -14.844 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.448 -8.937 -15.546 1.00 0.00 C ATOM 808 CD2 LEU A 51 -10.706 -6.883 -14.141 1.00 0.00 C ATOM 0 H LEU A 51 -13.794 -8.301 -13.940 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.250 -5.691 -14.922 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.868 -8.298 -16.409 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.929 -6.825 -16.550 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.970 -8.599 -14.093 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.731 -9.322 -14.821 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.985 -9.769 -16.001 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.919 -8.380 -16.319 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.985 -7.296 -13.435 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.184 -6.274 -14.879 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.426 -6.265 -13.604 1.00 0.00 H new ATOM 820 N LEU A 52 -15.571 -7.447 -16.445 1.00 0.00 N ATOM 821 CA LEU A 52 -16.657 -7.370 -17.415 1.00 0.00 C ATOM 822 C LEU A 52 -17.554 -6.168 -17.135 1.00 0.00 C ATOM 823 O LEU A 52 -18.237 -5.670 -18.029 1.00 0.00 O ATOM 824 CB LEU A 52 -17.485 -8.656 -17.387 1.00 0.00 C ATOM 825 CG LEU A 52 -18.497 -8.828 -18.520 1.00 0.00 C ATOM 826 CD1 LEU A 52 -18.590 -10.287 -18.936 1.00 0.00 C ATOM 827 CD2 LEU A 52 -19.863 -8.303 -18.099 1.00 0.00 C ATOM 0 H LEU A 52 -15.547 -8.313 -15.907 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.218 -7.249 -18.405 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -16.801 -9.505 -17.405 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.021 -8.699 -16.439 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.155 -8.249 -19.378 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -19.315 -10.390 -19.743 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.614 -10.630 -19.279 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -18.908 -10.889 -18.084 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -20.571 -8.433 -18.917 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -20.212 -8.855 -17.226 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -19.785 -7.244 -17.852 1.00 0.00 H new ATOM 839 N GLN A 53 -17.544 -5.707 -15.888 1.00 0.00 N ATOM 840 CA GLN A 53 -18.356 -4.563 -15.491 1.00 0.00 C ATOM 841 C GLN A 53 -17.670 -3.253 -15.866 1.00 0.00 C ATOM 842 O GLN A 53 -18.198 -2.170 -15.611 1.00 0.00 O ATOM 843 CB GLN A 53 -18.624 -4.599 -13.986 1.00 0.00 C ATOM 844 CG GLN A 53 -19.639 -5.653 -13.574 1.00 0.00 C ATOM 845 CD GLN A 53 -20.014 -5.560 -12.108 1.00 0.00 C ATOM 846 OE1 GLN A 53 -21.192 -5.468 -11.762 1.00 0.00 O ATOM 847 NE2 GLN A 53 -19.012 -5.584 -11.237 1.00 0.00 N ATOM 0 H GLN A 53 -16.983 -6.108 -15.136 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.305 -4.621 -16.023 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -17.686 -4.785 -13.463 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -18.979 -3.620 -13.665 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -20.537 -5.545 -14.182 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -19.232 -6.643 -13.779 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -18.050 -5.661 -11.568 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -19.204 -5.525 -10.237 1.00 0.00 H new ATOM 856 N ILE A 54 -16.493 -3.360 -16.473 1.00 0.00 N ATOM 857 CA ILE A 54 -15.737 -2.184 -16.884 1.00 0.00 C ATOM 858 C ILE A 54 -16.102 -1.763 -18.303 1.00 0.00 C ATOM 859 O ILE A 54 -15.951 -2.537 -19.249 1.00 0.00 O ATOM 860 CB ILE A 54 -14.219 -2.436 -16.810 1.00 0.00 C ATOM 861 CG1 ILE A 54 -13.812 -2.815 -15.384 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.454 -1.206 -17.275 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.331 -3.079 -15.229 1.00 0.00 C ATOM 0 H ILE A 54 -16.043 -4.249 -16.691 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.999 -1.384 -16.192 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.971 -3.266 -17.472 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.103 -2.012 -14.706 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.365 -3.704 -15.081 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.383 -1.400 -17.217 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.726 -0.977 -18.305 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.704 -0.359 -16.636 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.115 -3.342 -14.194 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.038 -3.902 -15.881 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.771 -2.184 -15.501 1.00 0.00 H new ATOM 875 N ASP A 55 -16.582 -0.532 -18.445 1.00 0.00 N ATOM 876 CA ASP A 55 -16.966 -0.007 -19.750 1.00 0.00 C ATOM 877 C ASP A 55 -15.772 0.019 -20.698 1.00 0.00 C ATOM 878 O ASP A 55 -14.782 0.705 -20.448 1.00 0.00 O ATOM 879 CB ASP A 55 -17.549 1.400 -19.605 1.00 0.00 C ATOM 880 CG ASP A 55 -18.893 1.400 -18.904 1.00 0.00 C ATOM 881 OD1 ASP A 55 -19.421 0.302 -18.631 1.00 0.00 O ATOM 882 OD2 ASP A 55 -19.416 2.500 -18.627 1.00 0.00 O ATOM 0 H ASP A 55 -16.714 0.121 -17.672 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.726 -0.666 -20.170 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.851 2.024 -19.046 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.657 1.849 -20.592 1.00 0.00 H new ATOM 887 N GLY A 56 -15.872 -0.736 -21.789 1.00 0.00 N ATOM 888 CA GLY A 56 -14.793 -0.786 -22.758 1.00 0.00 C ATOM 889 C GLY A 56 -14.090 -2.129 -22.773 1.00 0.00 C ATOM 890 O GLY A 56 -12.870 -2.198 -22.926 1.00 0.00 O ATOM 0 H GLY A 56 -16.681 -1.313 -22.018 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.190 -0.576 -23.751 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.069 -0.003 -22.532 1.00 0.00 H new ATOM 894 N VAL A 57 -14.860 -3.201 -22.613 1.00 0.00 N ATOM 895 CA VAL A 57 -14.304 -4.548 -22.608 1.00 0.00 C ATOM 896 C VAL A 57 -15.322 -5.565 -23.113 1.00 0.00 C ATOM 897 O VAL A 57 -16.493 -5.531 -22.730 1.00 0.00 O ATOM 898 CB VAL A 57 -13.840 -4.959 -21.199 1.00 0.00 C ATOM 899 CG1 VAL A 57 -15.032 -5.107 -20.265 1.00 0.00 C ATOM 900 CG2 VAL A 57 -13.036 -6.249 -21.258 1.00 0.00 C ATOM 0 H VAL A 57 -15.871 -3.162 -22.485 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.443 -4.537 -23.277 1.00 0.00 H new ATOM 0 HB VAL A 57 -13.196 -4.173 -20.805 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -14.684 -5.398 -19.274 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -15.563 -4.157 -20.199 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.705 -5.872 -20.652 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.716 -6.525 -20.253 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.655 -7.045 -21.673 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -12.160 -6.103 -21.890 1.00 0.00 H new ATOM 910 N THR A 58 -14.870 -6.471 -23.974 1.00 0.00 N ATOM 911 CA THR A 58 -15.741 -7.497 -24.532 1.00 0.00 C ATOM 912 C THR A 58 -15.142 -8.887 -24.346 1.00 0.00 C ATOM 913 O THR A 58 -13.956 -9.027 -24.050 1.00 0.00 O ATOM 914 CB THR A 58 -16.001 -7.260 -26.031 1.00 0.00 C ATOM 915 OG1 THR A 58 -15.891 -5.864 -26.332 1.00 0.00 O ATOM 916 CG2 THR A 58 -17.381 -7.762 -26.427 1.00 0.00 C ATOM 0 H THR A 58 -13.905 -6.515 -24.300 1.00 0.00 H new ATOM 0 HA THR A 58 -16.686 -7.436 -23.993 1.00 0.00 H new ATOM 0 HB THR A 58 -15.254 -7.814 -26.599 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.353 -5.674 -27.175 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.542 -7.584 -27.490 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.452 -8.830 -26.223 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.140 -7.232 -25.851 1.00 0.00 H new ATOM 924 N GLU A 59 -15.970 -9.912 -24.522 1.00 0.00 N ATOM 925 CA GLU A 59 -15.521 -11.291 -24.372 1.00 0.00 C ATOM 926 C GLU A 59 -14.320 -11.572 -25.271 1.00 0.00 C ATOM 927 O GLU A 59 -13.349 -12.201 -24.850 1.00 0.00 O ATOM 928 CB GLU A 59 -16.658 -12.260 -24.704 1.00 0.00 C ATOM 929 CG GLU A 59 -16.293 -13.720 -24.494 1.00 0.00 C ATOM 930 CD GLU A 59 -17.291 -14.668 -25.131 1.00 0.00 C ATOM 931 OE1 GLU A 59 -18.509 -14.449 -24.960 1.00 0.00 O ATOM 932 OE2 GLU A 59 -16.855 -15.628 -25.800 1.00 0.00 O ATOM 0 H GLU A 59 -16.955 -9.813 -24.768 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.220 -11.438 -23.335 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.523 -12.018 -24.086 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.957 -12.114 -25.742 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.303 -13.907 -24.910 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.233 -13.926 -23.425 1.00 0.00 H new ATOM 939 N ASP A 60 -14.394 -11.102 -26.511 1.00 0.00 N ATOM 940 CA ASP A 60 -13.314 -11.301 -27.471 1.00 0.00 C ATOM 941 C ASP A 60 -12.068 -10.526 -27.054 1.00 0.00 C ATOM 942 O ASP A 60 -10.954 -11.048 -27.102 1.00 0.00 O ATOM 943 CB ASP A 60 -13.757 -10.865 -28.868 1.00 0.00 C ATOM 944 CG ASP A 60 -15.065 -11.508 -29.287 1.00 0.00 C ATOM 945 OD1 ASP A 60 -15.120 -12.754 -29.350 1.00 0.00 O ATOM 946 OD2 ASP A 60 -16.033 -10.765 -29.553 1.00 0.00 O ATOM 0 H ASP A 60 -15.191 -10.580 -26.876 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.070 -12.363 -27.491 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.865 -9.781 -28.890 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.981 -11.123 -29.589 1.00 0.00 H new ATOM 951 N LYS A 61 -12.263 -9.277 -26.647 1.00 0.00 N ATOM 952 CA LYS A 61 -11.156 -8.428 -26.221 1.00 0.00 C ATOM 953 C LYS A 61 -10.434 -9.036 -25.023 1.00 0.00 C ATOM 954 O LYS A 61 -9.209 -9.169 -25.025 1.00 0.00 O ATOM 955 CB LYS A 61 -11.665 -7.029 -25.868 1.00 0.00 C ATOM 956 CG LYS A 61 -12.554 -6.417 -26.937 1.00 0.00 C ATOM 957 CD LYS A 61 -12.927 -4.984 -26.599 1.00 0.00 C ATOM 958 CE LYS A 61 -13.685 -4.321 -27.739 1.00 0.00 C ATOM 959 NZ LYS A 61 -12.780 -3.933 -28.856 1.00 0.00 N ATOM 0 H LYS A 61 -13.178 -8.829 -26.603 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.450 -8.352 -27.048 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.220 -7.079 -24.931 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.811 -6.373 -25.698 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.040 -6.443 -27.898 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.460 -7.014 -27.044 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.539 -4.969 -25.697 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.024 -4.414 -26.381 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.450 -5.003 -28.111 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.201 -3.436 -27.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.327 -3.439 -29.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.035 -3.303 -28.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.345 -4.786 -29.263 1.00 0.00 H new ATOM 973 N LEU A 62 -11.199 -9.404 -24.002 1.00 0.00 N ATOM 974 CA LEU A 62 -10.633 -10.000 -22.797 1.00 0.00 C ATOM 975 C LEU A 62 -10.084 -11.394 -23.084 1.00 0.00 C ATOM 976 O LEU A 62 -9.176 -11.867 -22.402 1.00 0.00 O ATOM 977 CB LEU A 62 -11.691 -10.073 -21.694 1.00 0.00 C ATOM 978 CG LEU A 62 -12.898 -10.968 -21.980 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.579 -12.417 -21.647 1.00 0.00 C ATOM 980 CD2 LEU A 62 -14.112 -10.492 -21.196 1.00 0.00 C ATOM 0 H LEU A 62 -12.214 -9.300 -23.984 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.811 -9.368 -22.462 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.211 -10.425 -20.781 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -12.051 -9.063 -21.496 1.00 0.00 H new ATOM 0 HG LEU A 62 -13.130 -10.905 -23.043 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.449 -13.039 -21.857 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.738 -12.753 -22.254 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -12.320 -12.499 -20.591 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.961 -11.140 -21.412 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.892 -10.525 -20.129 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.354 -9.469 -21.485 1.00 0.00 H new ATOM 992 N GLU A 63 -10.641 -12.045 -24.101 1.00 0.00 N ATOM 993 CA GLU A 63 -10.206 -13.385 -24.479 1.00 0.00 C ATOM 994 C GLU A 63 -8.853 -13.339 -25.183 1.00 0.00 C ATOM 995 O GLU A 63 -8.046 -14.261 -25.064 1.00 0.00 O ATOM 996 CB GLU A 63 -11.244 -14.044 -25.389 1.00 0.00 C ATOM 997 CG GLU A 63 -10.774 -15.353 -26.000 1.00 0.00 C ATOM 998 CD GLU A 63 -11.816 -15.983 -26.904 1.00 0.00 C ATOM 999 OE1 GLU A 63 -11.944 -15.536 -28.063 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -12.504 -16.922 -26.452 1.00 0.00 O ATOM 0 H GLU A 63 -11.393 -11.667 -24.677 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.103 -13.976 -23.569 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.153 -14.226 -24.816 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.505 -13.352 -26.190 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.862 -15.176 -26.571 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.520 -16.051 -25.202 1.00 0.00 H new ATOM 1007 N LYS A 64 -8.611 -12.258 -25.917 1.00 0.00 N ATOM 1008 CA LYS A 64 -7.356 -12.089 -26.640 1.00 0.00 C ATOM 1009 C LYS A 64 -6.306 -11.420 -25.758 1.00 0.00 C ATOM 1010 O LYS A 64 -5.189 -11.920 -25.620 1.00 0.00 O ATOM 1011 CB LYS A 64 -7.581 -11.256 -27.904 1.00 0.00 C ATOM 1012 CG LYS A 64 -8.272 -12.020 -29.021 1.00 0.00 C ATOM 1013 CD LYS A 64 -9.053 -11.089 -29.933 1.00 0.00 C ATOM 1014 CE LYS A 64 -10.183 -11.821 -30.640 1.00 0.00 C ATOM 1015 NZ LYS A 64 -9.680 -12.678 -31.750 1.00 0.00 N ATOM 0 H LYS A 64 -9.268 -11.485 -26.027 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.992 -13.077 -26.923 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.179 -10.380 -27.650 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.619 -10.892 -28.265 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.529 -12.564 -29.605 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.946 -12.762 -28.593 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.461 -10.264 -29.349 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.381 -10.654 -30.673 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.722 -12.438 -29.921 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.894 -11.096 -31.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.481 -13.160 -32.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.187 -12.087 -32.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.021 -13.387 -31.370 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.672 -10.290 -25.164 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.760 -9.553 -24.297 1.00 0.00 C ATOM 1031 C TYR A 65 -6.039 -9.859 -22.828 1.00 0.00 C ATOM 1032 O TYR A 65 -5.136 -10.219 -22.075 1.00 0.00 O ATOM 1033 CB TYR A 65 -5.886 -8.050 -24.549 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.490 -7.710 -25.893 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -5.871 -8.100 -27.074 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.680 -6.998 -25.982 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -6.419 -7.792 -28.304 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -8.236 -6.686 -27.207 1.00 0.00 C ATOM 1039 CZ TYR A 65 -7.602 -7.085 -28.365 1.00 0.00 C ATOM 1040 OH TYR A 65 -8.151 -6.775 -29.588 1.00 0.00 O ATOM 0 H TYR A 65 -7.593 -9.864 -25.267 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.743 -9.869 -24.529 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.498 -7.608 -23.763 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.898 -7.594 -24.478 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.945 -8.654 -27.030 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.179 -6.683 -25.077 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.924 -8.103 -29.212 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.162 -6.133 -27.258 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.984 -6.276 -29.456 1.00 0.00 H new ATOM 1050 N GLY A 66 -7.299 -9.712 -22.429 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.677 -9.977 -21.053 1.00 0.00 C ATOM 1052 C GLY A 66 -6.960 -11.182 -20.476 1.00 0.00 C ATOM 1053 O GLY A 66 -6.557 -11.175 -19.314 1.00 0.00 O ATOM 0 H GLY A 66 -8.064 -9.414 -23.034 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.456 -9.101 -20.444 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.754 -10.139 -21.000 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.801 -12.220 -21.291 1.00 0.00 N ATOM 1058 CA ALA A 67 -6.128 -13.437 -20.855 1.00 0.00 C ATOM 1059 C ALA A 67 -4.833 -13.114 -20.119 1.00 0.00 C ATOM 1060 O ALA A 67 -4.626 -13.552 -18.988 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.850 -14.342 -22.047 1.00 0.00 C ATOM 0 H ALA A 67 -7.129 -12.242 -22.257 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.787 -13.960 -20.162 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.347 -15.247 -21.707 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.791 -14.609 -22.529 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.213 -13.819 -22.760 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.963 -12.347 -20.769 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.687 -11.968 -20.175 1.00 0.00 C ATOM 1069 C GLU A 68 -2.898 -11.220 -18.862 1.00 0.00 C ATOM 1070 O GLU A 68 -2.114 -11.357 -17.923 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.885 -11.099 -21.146 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.783 -11.684 -22.545 1.00 0.00 C ATOM 1073 CD GLU A 68 -1.506 -13.175 -22.534 1.00 0.00 C ATOM 1074 OE1 GLU A 68 -0.331 -13.559 -22.356 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -2.464 -13.958 -22.705 1.00 0.00 O ATOM 0 H GLU A 68 -4.119 -11.976 -21.706 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.128 -12.880 -19.967 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.348 -10.114 -21.206 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.881 -10.955 -20.747 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.712 -11.495 -23.083 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.989 -11.175 -23.091 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.964 -10.428 -18.804 1.00 0.00 N ATOM 1083 CA VAL A 69 -4.280 -9.659 -17.606 1.00 0.00 C ATOM 1084 C VAL A 69 -4.579 -10.576 -16.426 1.00 0.00 C ATOM 1085 O VAL A 69 -4.116 -10.340 -15.310 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.487 -8.730 -17.839 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.741 -7.868 -16.612 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -5.264 -7.866 -19.071 1.00 0.00 C ATOM 0 H VAL A 69 -4.623 -10.302 -19.572 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.403 -9.054 -17.378 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.370 -9.346 -18.010 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.597 -7.218 -16.795 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.948 -8.508 -15.754 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.861 -7.259 -16.407 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.126 -7.216 -19.221 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.371 -7.257 -18.932 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.135 -8.505 -19.945 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.356 -11.624 -16.681 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.715 -12.579 -15.639 1.00 0.00 C ATOM 1100 C ILE A 70 -4.496 -13.367 -15.172 1.00 0.00 C ATOM 1101 O ILE A 70 -4.277 -13.537 -13.972 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.794 -13.564 -16.127 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -7.931 -12.809 -16.818 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -7.327 -14.385 -14.962 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -8.467 -11.650 -16.007 1.00 0.00 C ATOM 0 H ILE A 70 -5.749 -11.833 -17.599 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.112 -12.002 -14.804 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.344 -14.244 -16.850 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.577 -12.436 -17.779 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.745 -13.504 -17.025 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.089 -15.076 -15.322 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.510 -14.948 -14.510 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.764 -13.719 -14.218 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.270 -11.161 -16.558 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.851 -12.018 -15.056 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.666 -10.934 -15.822 1.00 0.00 H new ATOM 1117 N SER A 71 -3.705 -13.845 -16.127 1.00 0.00 N ATOM 1118 CA SER A 71 -2.509 -14.617 -15.813 1.00 0.00 C ATOM 1119 C SER A 71 -1.560 -13.813 -14.929 1.00 0.00 C ATOM 1120 O SER A 71 -1.049 -14.316 -13.928 1.00 0.00 O ATOM 1121 CB SER A 71 -1.794 -15.035 -17.100 1.00 0.00 C ATOM 1122 OG SER A 71 -0.443 -15.377 -16.845 1.00 0.00 O ATOM 0 H SER A 71 -3.871 -13.711 -17.124 1.00 0.00 H new ATOM 0 HA SER A 71 -2.815 -15.510 -15.269 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.310 -15.885 -17.546 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.836 -14.221 -17.824 1.00 0.00 H new ATOM 0 HG SER A 71 -0.009 -15.642 -17.683 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.327 -12.560 -15.307 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.441 -11.685 -14.550 1.00 0.00 C ATOM 1130 C VAL A 72 -1.001 -11.404 -13.160 1.00 0.00 C ATOM 1131 O VAL A 72 -0.299 -11.538 -12.157 1.00 0.00 O ATOM 1132 CB VAL A 72 -0.214 -10.348 -15.280 1.00 0.00 C ATOM 1133 CG1 VAL A 72 0.681 -9.434 -14.456 1.00 0.00 C ATOM 1134 CG2 VAL A 72 0.381 -10.588 -16.659 1.00 0.00 C ATOM 0 H VAL A 72 -1.740 -12.128 -16.134 1.00 0.00 H new ATOM 0 HA VAL A 72 0.512 -12.205 -14.456 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.178 -9.855 -15.406 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.830 -8.494 -14.988 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.210 -9.235 -13.493 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.645 -9.917 -14.296 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.535 -9.632 -17.160 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.337 -11.103 -16.558 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.301 -11.201 -17.248 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.270 -11.015 -13.108 1.00 0.00 N ATOM 1145 CA LEU A 73 -2.927 -10.716 -11.840 1.00 0.00 C ATOM 1146 C LEU A 73 -2.954 -11.945 -10.937 1.00 0.00 C ATOM 1147 O LEU A 73 -2.946 -11.827 -9.712 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.352 -10.218 -12.086 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.479 -8.868 -12.792 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -5.877 -8.695 -13.366 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -4.149 -7.732 -11.834 1.00 0.00 C ATOM 0 H LEU A 73 -2.865 -10.899 -13.929 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.357 -9.933 -11.340 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.880 -10.966 -12.678 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.863 -10.153 -11.126 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.765 -8.841 -13.615 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.949 -7.728 -13.865 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.076 -9.490 -14.085 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.610 -8.743 -12.560 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.245 -6.779 -12.354 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.838 -7.756 -10.990 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.127 -7.847 -11.472 1.00 0.00 H new ATOM 1163 N GLN A 74 -2.985 -13.124 -11.551 1.00 0.00 N ATOM 1164 CA GLN A 74 -3.011 -14.374 -10.803 1.00 0.00 C ATOM 1165 C GLN A 74 -1.656 -14.654 -10.161 1.00 0.00 C ATOM 1166 O GLN A 74 -1.560 -14.851 -8.949 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.403 -15.534 -11.720 1.00 0.00 C ATOM 1168 CG GLN A 74 -4.833 -16.011 -11.522 1.00 0.00 C ATOM 1169 CD GLN A 74 -5.139 -16.352 -10.077 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.232 -16.573 -9.273 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.422 -16.397 -9.738 1.00 0.00 N ATOM 0 H GLN A 74 -2.993 -13.239 -12.565 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.754 -14.278 -10.012 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.272 -15.226 -12.757 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.723 -16.368 -11.547 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.521 -15.237 -11.862 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.009 -16.889 -12.144 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.141 -16.207 -10.436 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.689 -16.621 -8.779 1.00 0.00 H new ATOM 1180 N LYS A 75 -0.611 -14.669 -10.981 1.00 0.00 N ATOM 1181 CA LYS A 75 0.740 -14.923 -10.494 1.00 0.00 C ATOM 1182 C LYS A 75 1.140 -13.898 -9.438 1.00 0.00 C ATOM 1183 O LYS A 75 1.842 -14.221 -8.480 1.00 0.00 O ATOM 1184 CB LYS A 75 1.737 -14.891 -11.655 1.00 0.00 C ATOM 1185 CG LYS A 75 1.748 -13.573 -12.410 1.00 0.00 C ATOM 1186 CD LYS A 75 2.820 -13.557 -13.487 1.00 0.00 C ATOM 1187 CE LYS A 75 2.394 -14.356 -14.709 1.00 0.00 C ATOM 1188 NZ LYS A 75 2.109 -13.476 -15.876 1.00 0.00 N ATOM 0 H LYS A 75 -0.673 -14.508 -11.986 1.00 0.00 H new ATOM 0 HA LYS A 75 0.755 -15.913 -10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.737 -15.088 -11.270 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.499 -15.696 -12.350 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.772 -13.405 -12.864 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.920 -12.754 -11.712 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.029 -12.528 -13.779 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.746 -13.969 -13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.180 -15.064 -14.972 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.506 -14.940 -14.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.081 -13.421 -16.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.483 -12.523 -15.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.563 -13.868 -16.726 1.00 0.00 H new ATOM 1202 N TYR A 76 0.687 -12.662 -9.618 1.00 0.00 N ATOM 1203 CA TYR A 76 0.998 -11.589 -8.681 1.00 0.00 C ATOM 1204 C TYR A 76 0.130 -11.689 -7.431 1.00 0.00 C ATOM 1205 O TYR A 76 0.522 -11.245 -6.352 1.00 0.00 O ATOM 1206 CB TYR A 76 0.798 -10.227 -9.348 1.00 0.00 C ATOM 1207 CG TYR A 76 -0.025 -9.265 -8.522 1.00 0.00 C ATOM 1208 CD1 TYR A 76 0.574 -8.440 -7.578 1.00 0.00 C ATOM 1209 CD2 TYR A 76 -1.403 -9.180 -8.686 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -0.175 -7.559 -6.821 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -2.159 -8.301 -7.934 1.00 0.00 C ATOM 1212 CZ TYR A 76 -1.540 -7.494 -7.003 1.00 0.00 C ATOM 1213 OH TYR A 76 -2.289 -6.617 -6.252 1.00 0.00 O ATOM 0 H TYR A 76 0.103 -12.378 -10.405 1.00 0.00 H new ATOM 0 HA TYR A 76 2.042 -11.691 -8.385 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.773 -9.782 -9.545 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.312 -10.372 -10.313 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.643 -8.488 -7.433 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.891 -9.812 -9.414 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.306 -6.925 -6.091 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.228 -8.246 -8.075 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.699 -6.109 -5.657 1.00 0.00 H new ATOM 1223 N SER A 77 -1.052 -12.277 -7.585 1.00 0.00 N ATOM 1224 CA SER A 77 -1.979 -12.433 -6.470 1.00 0.00 C ATOM 1225 C SER A 77 -1.517 -13.543 -5.531 1.00 0.00 C ATOM 1226 O SER A 77 -1.757 -13.491 -4.325 1.00 0.00 O ATOM 1227 CB SER A 77 -3.386 -12.740 -6.988 1.00 0.00 C ATOM 1228 OG SER A 77 -4.209 -13.253 -5.955 1.00 0.00 O ATOM 0 H SER A 77 -1.390 -12.653 -8.471 1.00 0.00 H new ATOM 0 HA SER A 77 -2.001 -11.496 -5.914 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.832 -11.833 -7.396 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.328 -13.462 -7.803 1.00 0.00 H new ATOM 0 HG SER A 77 -5.103 -13.440 -6.311 1.00 0.00 H new ATOM 1234 N GLU A 78 -0.853 -14.548 -6.094 1.00 0.00 N ATOM 1235 CA GLU A 78 -0.358 -15.672 -5.308 1.00 0.00 C ATOM 1236 C GLU A 78 -1.512 -16.445 -4.677 1.00 0.00 C ATOM 1237 O GLU A 78 -1.386 -16.979 -3.575 1.00 0.00 O ATOM 1238 CB GLU A 78 0.596 -15.179 -4.218 1.00 0.00 C ATOM 1239 CG GLU A 78 1.590 -16.232 -3.757 1.00 0.00 C ATOM 1240 CD GLU A 78 2.592 -15.690 -2.756 1.00 0.00 C ATOM 1241 OE1 GLU A 78 2.874 -14.475 -2.797 1.00 0.00 O ATOM 1242 OE2 GLU A 78 3.094 -16.483 -1.932 1.00 0.00 O ATOM 0 H GLU A 78 -0.646 -14.607 -7.091 1.00 0.00 H new ATOM 0 HA GLU A 78 0.181 -16.341 -5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.143 -14.313 -4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.012 -14.843 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.049 -17.065 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.123 -16.626 -4.622 1.00 0.00 H new ATOM 1249 N TRP A 79 -2.635 -16.499 -5.384 1.00 0.00 N ATOM 1250 CA TRP A 79 -3.813 -17.206 -4.893 1.00 0.00 C ATOM 1251 C TRP A 79 -4.335 -16.569 -3.610 1.00 0.00 C ATOM 1252 O TRP A 79 -4.621 -17.262 -2.633 1.00 0.00 O ATOM 1253 CB TRP A 79 -3.483 -18.680 -4.648 1.00 0.00 C ATOM 1254 CG TRP A 79 -4.626 -19.602 -4.948 1.00 0.00 C ATOM 1255 CD1 TRP A 79 -5.954 -19.351 -4.753 1.00 0.00 C ATOM 1256 CD2 TRP A 79 -4.541 -20.923 -5.493 1.00 0.00 C ATOM 1257 NE1 TRP A 79 -6.700 -20.437 -5.145 1.00 0.00 N ATOM 1258 CE2 TRP A 79 -5.857 -21.414 -5.603 1.00 0.00 C ATOM 1259 CE3 TRP A 79 -3.482 -21.739 -5.900 1.00 0.00 C ATOM 1260 CZ2 TRP A 79 -6.138 -22.683 -6.102 1.00 0.00 C ATOM 1261 CZ3 TRP A 79 -3.763 -22.998 -6.395 1.00 0.00 C ATOM 1262 CH2 TRP A 79 -5.082 -23.460 -6.494 1.00 0.00 C ATOM 0 H TRP A 79 -2.755 -16.062 -6.298 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.591 -17.136 -5.653 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -2.628 -18.961 -5.263 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.184 -18.810 -3.608 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.359 -18.434 -4.350 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -7.717 -20.504 -5.102 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -2.462 -21.392 -5.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.154 -23.042 -6.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -2.952 -23.637 -6.711 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -5.269 -24.448 -6.887 1.00 0.00 H new ATOM 1273 N THR A 80 -4.459 -15.246 -3.620 1.00 0.00 N ATOM 1274 CA THR A 80 -4.947 -14.516 -2.456 1.00 0.00 C ATOM 1275 C THR A 80 -6.327 -13.924 -2.717 1.00 0.00 C ATOM 1276 O THR A 80 -6.639 -13.522 -3.838 1.00 0.00 O ATOM 1277 CB THR A 80 -3.982 -13.382 -2.060 1.00 0.00 C ATOM 1278 OG1 THR A 80 -2.665 -13.908 -1.859 1.00 0.00 O ATOM 1279 CG2 THR A 80 -4.455 -12.688 -0.792 1.00 0.00 C ATOM 0 H THR A 80 -4.228 -14.658 -4.421 1.00 0.00 H new ATOM 0 HA THR A 80 -5.011 -15.233 -1.637 1.00 0.00 H new ATOM 0 HB THR A 80 -3.962 -12.652 -2.869 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.150 -13.826 -2.689 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.758 -11.891 -0.532 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.446 -12.264 -0.957 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.501 -13.411 0.023 1.00 0.00 H new ATOM 1287 N SER A 81 -7.151 -13.874 -1.675 1.00 0.00 N ATOM 1288 CA SER A 81 -8.500 -13.334 -1.793 1.00 0.00 C ATOM 1289 C SER A 81 -9.246 -13.982 -2.955 1.00 0.00 C ATOM 1290 O SER A 81 -9.537 -13.349 -3.970 1.00 0.00 O ATOM 1291 CB SER A 81 -8.450 -11.817 -1.987 1.00 0.00 C ATOM 1292 OG SER A 81 -7.446 -11.232 -1.176 1.00 0.00 O ATOM 0 H SER A 81 -6.908 -14.201 -0.740 1.00 0.00 H new ATOM 0 HA SER A 81 -9.036 -13.558 -0.871 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.255 -11.587 -3.035 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.419 -11.384 -1.741 1.00 0.00 H new ATOM 0 HG SER A 81 -7.433 -10.263 -1.320 1.00 0.00 H new ATOM 1298 N PRO A 82 -9.562 -15.277 -2.805 1.00 0.00 N ATOM 1299 CA PRO A 82 -10.278 -16.041 -3.831 1.00 0.00 C ATOM 1300 C PRO A 82 -11.731 -15.601 -3.973 1.00 0.00 C ATOM 1301 O PRO A 82 -12.348 -15.144 -3.012 1.00 0.00 O ATOM 1302 CB PRO A 82 -10.203 -17.481 -3.318 1.00 0.00 C ATOM 1303 CG PRO A 82 -10.045 -17.350 -1.842 1.00 0.00 C ATOM 1304 CD PRO A 82 -9.247 -16.095 -1.622 1.00 0.00 C ATOM 0 HA PRO A 82 -9.842 -15.903 -4.820 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.104 -18.039 -3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -9.362 -18.015 -3.760 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.015 -17.287 -1.350 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.532 -18.217 -1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -9.535 -15.593 -0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -8.180 -16.305 -1.551 1.00 0.00 H new ATOM 1312 N ALA A 83 -12.272 -15.742 -5.179 1.00 0.00 N ATOM 1313 CA ALA A 83 -13.653 -15.361 -5.446 1.00 0.00 C ATOM 1314 C ALA A 83 -14.098 -15.840 -6.824 1.00 0.00 C ATOM 1315 O ALA A 83 -13.509 -15.471 -7.839 1.00 0.00 O ATOM 1316 CB ALA A 83 -13.817 -13.853 -5.331 1.00 0.00 C ATOM 0 H ALA A 83 -11.774 -16.117 -5.986 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.287 -15.842 -4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.854 -13.583 -5.533 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.549 -13.534 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.166 -13.360 -6.053 1.00 0.00 H new ATOM 1322 N GLU A 84 -15.141 -16.664 -6.850 1.00 0.00 N ATOM 1323 CA GLU A 84 -15.663 -17.195 -8.104 1.00 0.00 C ATOM 1324 C GLU A 84 -17.009 -16.561 -8.445 1.00 0.00 C ATOM 1325 O GLU A 84 -17.494 -16.676 -9.570 1.00 0.00 O ATOM 1326 CB GLU A 84 -15.810 -18.715 -8.019 1.00 0.00 C ATOM 1327 CG GLU A 84 -15.638 -19.419 -9.355 1.00 0.00 C ATOM 1328 CD GLU A 84 -16.909 -19.416 -10.183 1.00 0.00 C ATOM 1329 OE1 GLU A 84 -17.972 -19.784 -9.641 1.00 0.00 O ATOM 1330 OE2 GLU A 84 -16.839 -19.045 -11.374 1.00 0.00 O ATOM 0 H GLU A 84 -15.641 -16.978 -6.018 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.954 -16.950 -8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.074 -19.104 -7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.794 -18.954 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.841 -18.933 -9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.324 -20.448 -9.182 1.00 0.00 H new ATOM 1337 N ASP A 85 -17.606 -15.893 -7.464 1.00 0.00 N ATOM 1338 CA ASP A 85 -18.896 -15.240 -7.659 1.00 0.00 C ATOM 1339 C ASP A 85 -18.771 -13.729 -7.487 1.00 0.00 C ATOM 1340 O ASP A 85 -18.177 -13.251 -6.519 1.00 0.00 O ATOM 1341 CB ASP A 85 -19.926 -15.795 -6.673 1.00 0.00 C ATOM 1342 CG ASP A 85 -20.326 -17.221 -6.996 1.00 0.00 C ATOM 1343 OD1 ASP A 85 -20.933 -17.439 -8.065 1.00 0.00 O ATOM 1344 OD2 ASP A 85 -20.032 -18.119 -6.179 1.00 0.00 O ATOM 0 H ASP A 85 -17.218 -15.789 -6.526 1.00 0.00 H new ATOM 0 HA ASP A 85 -19.230 -15.445 -8.676 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.517 -15.755 -5.664 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -20.813 -15.161 -6.683 1.00 0.00 H new TER 1349 ASP A 85