USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 569 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -2.91 K(o=-2.9,f=-1) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -2.76! (180deg=-3.45!) USER MOD Single : A 15 SER OG : rot 142:sc= 0.797! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 64:sc= -0.274 USER MOD Single : A 29 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.0084) USER MOD Single : A 30 SER OG : rot -107:sc= -2.17! USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= -0.112 (180deg=-0.63) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.89! C(o=-2.9!,f=-19!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.237 K(o=-0.24,f=-1) USER MOD Single : A 57 THR OG1 : rot 45:sc= 0.127 USER MOD Single : A 58 ASN : amide:sc= -0.757 K(o=-0.76,f=-2!) USER MOD Single : A 59 ASN : amide:sc= -0.901 K(o=-0.9,f=-3.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.706 7.641 -4.580 1.00 0.00 N ATOM 2 CA MET A 1 -6.479 8.353 -3.521 1.00 0.00 C ATOM 3 C MET A 1 -6.667 7.445 -2.303 1.00 0.00 C ATOM 4 O MET A 1 -7.759 7.310 -1.782 1.00 0.00 O ATOM 5 CB MET A 1 -7.828 8.675 -4.164 1.00 0.00 C ATOM 6 CG MET A 1 -8.566 9.708 -3.312 1.00 0.00 C ATOM 7 SD MET A 1 -10.341 9.618 -3.659 1.00 0.00 S ATOM 8 CE MET A 1 -10.435 11.064 -4.741 1.00 0.00 C ATOM 0 H1 MET A 1 -5.585 8.267 -5.402 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.772 7.373 -4.208 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.221 6.785 -4.870 1.00 0.00 H new ATOM 0 HA MET A 1 -5.970 9.251 -3.171 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.679 9.060 -5.173 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.426 7.768 -4.254 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.381 9.522 -2.254 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.192 10.709 -3.529 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.462 11.199 -5.079 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.114 11.950 -4.193 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.786 10.916 -5.604 1.00 0.00 H new ATOM 20 N VAL A 2 -5.604 6.844 -1.831 1.00 0.00 N ATOM 21 CA VAL A 2 -5.705 5.967 -0.626 1.00 0.00 C ATOM 22 C VAL A 2 -5.704 6.823 0.646 1.00 0.00 C ATOM 23 O VAL A 2 -5.450 8.012 0.602 1.00 0.00 O ATOM 24 CB VAL A 2 -4.464 5.069 -0.677 1.00 0.00 C ATOM 25 CG1 VAL A 2 -4.463 4.117 0.521 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.479 4.250 -1.971 1.00 0.00 C ATOM 0 H VAL A 2 -4.668 6.923 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.624 5.381 -0.615 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.570 5.692 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.579 3.481 0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.451 4.695 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.358 3.496 0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.597 3.611 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.376 3.632 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.475 4.924 -2.828 1.00 0.00 H new ATOM 36 N GLN A 3 -6.046 6.236 1.765 1.00 0.00 N ATOM 37 CA GLN A 3 -6.134 7.020 3.032 1.00 0.00 C ATOM 38 C GLN A 3 -5.082 6.532 4.031 1.00 0.00 C ATOM 39 O GLN A 3 -4.523 5.461 3.883 1.00 0.00 O ATOM 40 CB GLN A 3 -7.544 6.753 3.564 1.00 0.00 C ATOM 41 CG GLN A 3 -8.534 7.716 2.902 1.00 0.00 C ATOM 42 CD GLN A 3 -8.606 7.431 1.399 1.00 0.00 C ATOM 43 OE1 GLN A 3 -8.527 8.337 0.594 1.00 0.00 O ATOM 44 NE2 GLN A 3 -8.754 6.202 0.985 1.00 0.00 N ATOM 0 H GLN A 3 -6.268 5.245 1.855 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.951 8.083 2.874 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.832 5.722 3.359 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.565 6.881 4.646 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -9.521 7.603 3.351 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -8.222 8.747 3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -8.820 5.441 1.661 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.803 6.003 -0.014 1.00 0.00 H new ATOM 53 N ARG A 4 -4.847 7.288 5.074 1.00 0.00 N ATOM 54 CA ARG A 4 -3.874 6.847 6.121 1.00 0.00 C ATOM 55 C ARG A 4 -4.415 5.624 6.864 1.00 0.00 C ATOM 56 O ARG A 4 -5.409 5.702 7.563 1.00 0.00 O ATOM 57 CB ARG A 4 -3.740 8.038 7.075 1.00 0.00 C ATOM 58 CG ARG A 4 -2.694 7.720 8.145 1.00 0.00 C ATOM 59 CD ARG A 4 -1.954 9.003 8.533 1.00 0.00 C ATOM 60 NE ARG A 4 -0.649 8.543 9.100 1.00 0.00 N ATOM 61 CZ ARG A 4 0.068 9.317 9.892 1.00 0.00 C ATOM 62 NH1 ARG A 4 -0.310 10.541 10.183 1.00 0.00 N ATOM 63 NH2 ARG A 4 1.179 8.856 10.398 1.00 0.00 N ATOM 0 H ARG A 4 -5.287 8.192 5.246 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.913 6.561 5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.449 8.930 6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.701 8.253 7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.175 7.286 9.021 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.988 6.980 7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.802 9.648 7.667 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.521 9.579 9.264 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.306 7.611 8.869 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.176 10.913 9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 4 0.263 11.119 10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.484 7.907 10.180 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.743 9.444 11.012 1.00 0.00 H new ATOM 77 N GLY A 5 -3.772 4.494 6.710 1.00 0.00 N ATOM 78 CA GLY A 5 -4.245 3.257 7.398 1.00 0.00 C ATOM 79 C GLY A 5 -5.203 2.495 6.480 1.00 0.00 C ATOM 80 O GLY A 5 -6.074 1.780 6.938 1.00 0.00 O ATOM 0 H GLY A 5 -2.938 4.376 6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.395 2.626 7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.747 3.516 8.330 1.00 0.00 H new ATOM 84 N SER A 6 -5.017 2.607 5.189 1.00 0.00 N ATOM 85 CA SER A 6 -5.880 1.851 4.234 1.00 0.00 C ATOM 86 C SER A 6 -5.207 0.532 3.844 1.00 0.00 C ATOM 87 O SER A 6 -4.000 0.398 3.913 1.00 0.00 O ATOM 88 CB SER A 6 -6.017 2.763 3.016 1.00 0.00 C ATOM 89 OG SER A 6 -7.296 2.572 2.427 1.00 0.00 O ATOM 0 H SER A 6 -4.302 3.191 4.755 1.00 0.00 H new ATOM 0 HA SER A 6 -6.849 1.598 4.664 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.892 3.805 3.312 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.234 2.541 2.291 1.00 0.00 H new ATOM 0 HG SER A 6 -7.387 3.157 1.646 1.00 0.00 H new ATOM 95 N LYS A 7 -5.981 -0.435 3.421 1.00 0.00 N ATOM 96 CA LYS A 7 -5.394 -1.746 3.009 1.00 0.00 C ATOM 97 C LYS A 7 -5.439 -1.890 1.486 1.00 0.00 C ATOM 98 O LYS A 7 -6.478 -2.157 0.911 1.00 0.00 O ATOM 99 CB LYS A 7 -6.277 -2.802 3.675 1.00 0.00 C ATOM 100 CG LYS A 7 -5.717 -3.137 5.059 1.00 0.00 C ATOM 101 CD LYS A 7 -5.975 -4.612 5.372 1.00 0.00 C ATOM 102 CE LYS A 7 -7.355 -4.764 6.015 1.00 0.00 C ATOM 103 NZ LYS A 7 -7.338 -6.112 6.649 1.00 0.00 N ATOM 0 H LYS A 7 -6.996 -0.373 3.343 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.350 -1.843 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.299 -2.433 3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.315 -3.701 3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.647 -2.930 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.186 -2.507 5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.921 -5.203 4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.205 -4.992 6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.535 -3.983 6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.148 -4.688 5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.101 -6.174 7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.479 -6.840 5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.422 -6.264 7.118 1.00 0.00 H new ATOM 117 N VAL A 8 -4.310 -1.760 0.836 1.00 0.00 N ATOM 118 CA VAL A 8 -4.268 -1.935 -0.647 1.00 0.00 C ATOM 119 C VAL A 8 -3.337 -3.095 -1.018 1.00 0.00 C ATOM 120 O VAL A 8 -2.383 -3.382 -0.319 1.00 0.00 O ATOM 121 CB VAL A 8 -3.730 -0.608 -1.197 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.691 0.523 -0.826 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.349 -0.314 -0.599 1.00 0.00 C ATOM 0 H VAL A 8 -3.414 -1.540 1.270 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.248 -2.173 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.644 -0.680 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.310 1.467 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.672 0.322 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.776 0.587 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.975 0.630 -0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.429 -0.246 0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.660 -1.117 -0.862 1.00 0.00 H new ATOM 133 N ARG A 9 -3.589 -3.734 -2.132 1.00 0.00 N ATOM 134 CA ARG A 9 -2.698 -4.847 -2.580 1.00 0.00 C ATOM 135 C ARG A 9 -1.413 -4.283 -3.192 1.00 0.00 C ATOM 136 O ARG A 9 -1.431 -3.270 -3.867 1.00 0.00 O ATOM 137 CB ARG A 9 -3.505 -5.606 -3.635 1.00 0.00 C ATOM 138 CG ARG A 9 -4.320 -6.709 -2.959 1.00 0.00 C ATOM 139 CD ARG A 9 -3.529 -8.020 -2.988 1.00 0.00 C ATOM 140 NE ARG A 9 -4.563 -9.091 -3.129 1.00 0.00 N ATOM 141 CZ ARG A 9 -5.164 -9.320 -4.281 1.00 0.00 C ATOM 142 NH1 ARG A 9 -4.914 -8.590 -5.344 1.00 0.00 N ATOM 143 NH2 ARG A 9 -6.027 -10.294 -4.365 1.00 0.00 N ATOM 0 H ARG A 9 -4.374 -3.533 -2.751 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.400 -5.493 -1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.168 -4.921 -4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.835 -6.038 -4.379 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.545 -6.430 -1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.274 -6.836 -3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.825 -8.038 -3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.947 -8.150 -2.076 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.809 -9.657 -2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.241 -7.825 -5.291 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.392 -8.788 -6.223 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.230 -10.868 -3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.499 -10.482 -5.249 1.00 0.00 H new ATOM 157 N ILE A 10 -0.303 -4.939 -2.972 1.00 0.00 N ATOM 158 CA ILE A 10 0.988 -4.456 -3.550 1.00 0.00 C ATOM 159 C ILE A 10 1.158 -4.993 -4.975 1.00 0.00 C ATOM 160 O ILE A 10 1.247 -6.187 -5.190 1.00 0.00 O ATOM 161 CB ILE A 10 2.077 -5.018 -2.626 1.00 0.00 C ATOM 162 CG1 ILE A 10 1.858 -4.514 -1.189 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.458 -4.575 -3.121 1.00 0.00 C ATOM 164 CD1 ILE A 10 1.914 -2.981 -1.145 1.00 0.00 C ATOM 0 H ILE A 10 -0.234 -5.791 -2.415 1.00 0.00 H new ATOM 0 HA ILE A 10 1.033 -3.369 -3.611 1.00 0.00 H new ATOM 0 HB ILE A 10 2.022 -6.107 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.893 -4.860 -0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.620 -4.931 -0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.227 -4.977 -2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.618 -4.946 -4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.513 -3.486 -3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.757 -2.640 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.889 -2.642 -1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.135 -2.570 -1.787 1.00 0.00 H new ATOM 176 N LEU A 11 1.264 -4.114 -5.938 1.00 0.00 N ATOM 177 CA LEU A 11 1.501 -4.559 -7.345 1.00 0.00 C ATOM 178 C LEU A 11 2.971 -4.355 -7.721 1.00 0.00 C ATOM 179 O LEU A 11 3.289 -3.990 -8.837 1.00 0.00 O ATOM 180 CB LEU A 11 0.596 -3.665 -8.203 1.00 0.00 C ATOM 181 CG LEU A 11 -0.825 -4.245 -8.276 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.792 -5.634 -8.919 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.419 -4.350 -6.866 1.00 0.00 C ATOM 0 H LEU A 11 1.196 -3.104 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 11 1.280 -5.617 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.563 -2.660 -7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.010 -3.576 -9.207 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.444 -3.583 -8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.804 -6.037 -8.966 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.384 -5.559 -9.927 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.165 -6.296 -8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.426 -4.762 -6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.795 -5.003 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.458 -3.359 -6.413 1.00 0.00 H new ATOM 195 N ARG A 12 3.867 -4.618 -6.804 1.00 0.00 N ATOM 196 CA ARG A 12 5.322 -4.475 -7.108 1.00 0.00 C ATOM 197 C ARG A 12 6.012 -5.848 -7.057 1.00 0.00 C ATOM 198 O ARG A 12 6.504 -6.246 -6.019 1.00 0.00 O ATOM 199 CB ARG A 12 5.867 -3.560 -6.010 1.00 0.00 C ATOM 200 CG ARG A 12 7.226 -3.002 -6.437 1.00 0.00 C ATOM 201 CD ARG A 12 7.566 -1.774 -5.588 1.00 0.00 C ATOM 202 NE ARG A 12 9.020 -1.916 -5.263 1.00 0.00 N ATOM 203 CZ ARG A 12 9.748 -0.877 -4.903 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.224 0.319 -4.772 1.00 0.00 N ATOM 205 NH2 ARG A 12 11.023 -1.043 -4.672 1.00 0.00 N ATOM 0 H ARG A 12 3.652 -4.926 -5.856 1.00 0.00 H new ATOM 0 HA ARG A 12 5.499 -4.068 -8.103 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.169 -2.744 -5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.967 -4.114 -5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.997 -3.764 -6.318 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.204 -2.732 -7.493 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.372 -0.851 -6.134 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.961 -1.741 -4.682 1.00 0.00 H new ATOM 0 HE ARG A 12 9.457 -2.836 -5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.230 0.463 -4.950 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.811 1.105 -4.492 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.443 -1.967 -4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.598 -0.248 -4.393 1.00 0.00 H new ATOM 219 N PRO A 13 6.031 -6.539 -8.181 1.00 0.00 N ATOM 220 CA PRO A 13 6.675 -7.883 -8.242 1.00 0.00 C ATOM 221 C PRO A 13 8.113 -7.830 -7.707 1.00 0.00 C ATOM 222 O PRO A 13 8.628 -8.805 -7.192 1.00 0.00 O ATOM 223 CB PRO A 13 6.670 -8.218 -9.731 1.00 0.00 C ATOM 224 CG PRO A 13 5.550 -7.413 -10.303 1.00 0.00 C ATOM 225 CD PRO A 13 5.463 -6.152 -9.486 1.00 0.00 C ATOM 0 HA PRO A 13 6.156 -8.624 -7.635 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.621 -7.959 -10.197 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.514 -9.284 -9.895 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.735 -7.182 -11.352 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.613 -7.968 -10.259 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.028 -5.339 -9.943 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.433 -5.809 -9.388 1.00 0.00 H new ATOM 233 N GLU A 14 8.743 -6.685 -7.791 1.00 0.00 N ATOM 234 CA GLU A 14 10.128 -6.546 -7.248 1.00 0.00 C ATOM 235 C GLU A 14 10.094 -6.448 -5.719 1.00 0.00 C ATOM 236 O GLU A 14 11.031 -6.828 -5.045 1.00 0.00 O ATOM 237 CB GLU A 14 10.667 -5.249 -7.855 1.00 0.00 C ATOM 238 CG GLU A 14 11.003 -5.477 -9.330 1.00 0.00 C ATOM 239 CD GLU A 14 12.475 -5.871 -9.464 1.00 0.00 C ATOM 240 OE1 GLU A 14 13.308 -4.979 -9.478 1.00 0.00 O ATOM 241 OE2 GLU A 14 12.745 -7.058 -9.551 1.00 0.00 O ATOM 0 H GLU A 14 8.357 -5.840 -8.213 1.00 0.00 H new ATOM 0 HA GLU A 14 10.753 -7.403 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.927 -4.455 -7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.556 -4.924 -7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.367 -6.261 -9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.804 -4.571 -9.903 1.00 0.00 H new ATOM 248 N SER A 15 9.014 -5.949 -5.172 1.00 0.00 N ATOM 249 CA SER A 15 8.906 -5.835 -3.685 1.00 0.00 C ATOM 250 C SER A 15 8.747 -7.222 -3.057 1.00 0.00 C ATOM 251 O SER A 15 7.988 -8.045 -3.534 1.00 0.00 O ATOM 252 CB SER A 15 7.658 -4.988 -3.435 1.00 0.00 C ATOM 253 OG SER A 15 7.616 -4.605 -2.066 1.00 0.00 O ATOM 0 H SER A 15 8.202 -5.615 -5.691 1.00 0.00 H new ATOM 0 HA SER A 15 9.796 -5.386 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.671 -4.103 -4.072 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.763 -5.554 -3.694 1.00 0.00 H new ATOM 0 HG SER A 15 7.285 -3.685 -1.994 1.00 0.00 H new ATOM 259 N TYR A 16 9.419 -7.465 -1.960 1.00 0.00 N ATOM 260 CA TYR A 16 9.270 -8.778 -1.257 1.00 0.00 C ATOM 261 C TYR A 16 7.816 -8.985 -0.823 1.00 0.00 C ATOM 262 O TYR A 16 7.354 -10.104 -0.689 1.00 0.00 O ATOM 263 CB TYR A 16 10.187 -8.688 -0.035 1.00 0.00 C ATOM 264 CG TYR A 16 10.182 -10.008 0.700 1.00 0.00 C ATOM 265 CD1 TYR A 16 9.126 -10.324 1.564 1.00 0.00 C ATOM 266 CD2 TYR A 16 11.232 -10.915 0.518 1.00 0.00 C ATOM 267 CE1 TYR A 16 9.121 -11.546 2.246 1.00 0.00 C ATOM 268 CE2 TYR A 16 11.228 -12.138 1.200 1.00 0.00 C ATOM 269 CZ TYR A 16 10.172 -12.454 2.064 1.00 0.00 C ATOM 270 OH TYR A 16 10.166 -13.659 2.735 1.00 0.00 O ATOM 0 H TYR A 16 10.066 -6.811 -1.519 1.00 0.00 H new ATOM 0 HA TYR A 16 9.533 -9.618 -1.899 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.201 -8.437 -0.346 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.850 -7.890 0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.315 -9.624 1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.046 -10.672 -0.149 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.307 -11.789 2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 16 12.039 -12.837 1.060 1.00 0.00 H new ATOM 0 HH TYR A 16 10.967 -14.171 2.495 1.00 0.00 H new ATOM 280 N TRP A 17 7.099 -7.916 -0.586 1.00 0.00 N ATOM 281 CA TRP A 17 5.679 -8.043 -0.138 1.00 0.00 C ATOM 282 C TRP A 17 4.734 -7.934 -1.338 1.00 0.00 C ATOM 283 O TRP A 17 3.660 -7.370 -1.240 1.00 0.00 O ATOM 284 CB TRP A 17 5.461 -6.876 0.826 1.00 0.00 C ATOM 285 CG TRP A 17 6.352 -7.038 2.015 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.214 -7.990 2.965 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.513 -6.243 2.397 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.216 -7.830 3.906 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.042 -6.767 3.600 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.151 -5.129 1.822 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.163 -6.207 4.212 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.281 -4.562 2.434 1.00 0.00 C ATOM 293 CH2 TRP A 17 9.786 -5.100 3.626 1.00 0.00 C ATOM 0 H TRP A 17 7.437 -6.958 -0.684 1.00 0.00 H new ATOM 0 HA TRP A 17 5.480 -9.004 0.336 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.674 -5.932 0.325 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.418 -6.841 1.142 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.448 -8.751 2.986 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.330 -8.425 4.726 1.00 0.00 H new ATOM 0 HE3 TRP A 17 7.770 -4.707 0.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.547 -6.625 5.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 9.763 -3.707 1.984 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.656 -4.660 4.092 1.00 0.00 H new ATOM 304 N PHE A 18 5.095 -8.533 -2.444 1.00 0.00 N ATOM 305 CA PHE A 18 4.183 -8.540 -3.629 1.00 0.00 C ATOM 306 C PHE A 18 2.988 -9.462 -3.370 1.00 0.00 C ATOM 307 O PHE A 18 3.043 -10.343 -2.535 1.00 0.00 O ATOM 308 CB PHE A 18 5.032 -9.074 -4.786 1.00 0.00 C ATOM 309 CG PHE A 18 4.230 -9.025 -6.064 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.770 -7.797 -6.554 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.947 -10.207 -6.759 1.00 0.00 C ATOM 312 CE1 PHE A 18 3.026 -7.751 -7.740 1.00 0.00 C ATOM 313 CE2 PHE A 18 3.203 -10.160 -7.944 1.00 0.00 C ATOM 314 CZ PHE A 18 2.743 -8.933 -8.435 1.00 0.00 C ATOM 0 H PHE A 18 5.982 -9.018 -2.578 1.00 0.00 H new ATOM 0 HA PHE A 18 3.781 -7.550 -3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.939 -8.479 -4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.345 -10.098 -4.579 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.989 -6.885 -6.018 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.302 -11.154 -6.381 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.671 -6.804 -8.118 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.984 -11.072 -8.480 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.170 -8.898 -9.350 1.00 0.00 H new ATOM 324 N GLN A 19 1.912 -9.274 -4.098 1.00 0.00 N ATOM 325 CA GLN A 19 0.702 -10.146 -3.924 1.00 0.00 C ATOM 326 C GLN A 19 0.266 -10.185 -2.454 1.00 0.00 C ATOM 327 O GLN A 19 -0.326 -11.146 -1.999 1.00 0.00 O ATOM 328 CB GLN A 19 1.133 -11.540 -4.393 1.00 0.00 C ATOM 329 CG GLN A 19 -0.042 -12.228 -5.091 1.00 0.00 C ATOM 330 CD GLN A 19 0.489 -13.176 -6.168 1.00 0.00 C ATOM 331 OE1 GLN A 19 0.778 -14.324 -5.895 1.00 0.00 O ATOM 332 NE2 GLN A 19 0.630 -12.741 -7.390 1.00 0.00 N ATOM 0 H GLN A 19 1.818 -8.550 -4.810 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.149 -9.771 -4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.979 -11.461 -5.075 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.464 -12.136 -3.542 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.636 -12.782 -4.365 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.699 -11.483 -5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.387 -11.777 -7.619 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.983 -13.365 -8.116 1.00 0.00 H new ATOM 341 N ASP A 20 0.535 -9.135 -1.720 1.00 0.00 N ATOM 342 CA ASP A 20 0.118 -9.088 -0.286 1.00 0.00 C ATOM 343 C ASP A 20 -0.610 -7.775 0.010 1.00 0.00 C ATOM 344 O ASP A 20 -0.279 -6.737 -0.531 1.00 0.00 O ATOM 345 CB ASP A 20 1.421 -9.170 0.508 1.00 0.00 C ATOM 346 CG ASP A 20 1.697 -10.625 0.893 1.00 0.00 C ATOM 347 OD1 ASP A 20 0.835 -11.227 1.512 1.00 0.00 O ATOM 348 OD2 ASP A 20 2.765 -11.113 0.560 1.00 0.00 O ATOM 0 H ASP A 20 1.027 -8.306 -2.053 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.567 -9.895 -0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.246 -8.778 -0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.352 -8.553 1.404 1.00 0.00 H new ATOM 353 N VAL A 21 -1.578 -7.810 0.891 1.00 0.00 N ATOM 354 CA VAL A 21 -2.308 -6.560 1.260 1.00 0.00 C ATOM 355 C VAL A 21 -1.576 -5.844 2.400 1.00 0.00 C ATOM 356 O VAL A 21 -1.714 -6.199 3.556 1.00 0.00 O ATOM 357 CB VAL A 21 -3.698 -7.027 1.714 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.540 -5.817 2.131 1.00 0.00 C ATOM 359 CG2 VAL A 21 -4.398 -7.753 0.560 1.00 0.00 C ATOM 0 H VAL A 21 -1.894 -8.652 1.371 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.372 -5.855 0.431 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.588 -7.704 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.526 -6.153 2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.048 -5.297 2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.646 -5.139 1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.385 -8.084 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.502 -7.075 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.805 -8.618 0.261 1.00 0.00 H new ATOM 369 N GLY A 22 -0.813 -4.829 2.082 1.00 0.00 N ATOM 370 CA GLY A 22 -0.083 -4.071 3.140 1.00 0.00 C ATOM 371 C GLY A 22 -0.909 -2.855 3.559 1.00 0.00 C ATOM 372 O GLY A 22 -1.771 -2.399 2.831 1.00 0.00 O ATOM 0 H GLY A 22 -0.664 -4.492 1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.100 -4.713 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.890 -3.752 2.767 1.00 0.00 H new ATOM 376 N THR A 23 -0.629 -2.308 4.715 1.00 0.00 N ATOM 377 CA THR A 23 -1.371 -1.097 5.177 1.00 0.00 C ATOM 378 C THR A 23 -0.554 0.165 4.888 1.00 0.00 C ATOM 379 O THR A 23 0.662 0.136 4.872 1.00 0.00 O ATOM 380 CB THR A 23 -1.547 -1.290 6.683 1.00 0.00 C ATOM 381 OG1 THR A 23 -2.102 -2.574 6.933 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.481 -0.211 7.233 1.00 0.00 C ATOM 0 H THR A 23 0.084 -2.649 5.360 1.00 0.00 H new ATOM 0 HA THR A 23 -2.328 -0.979 4.668 1.00 0.00 H new ATOM 0 HB THR A 23 -0.578 -1.211 7.175 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.214 -2.700 7.898 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.605 -0.350 8.307 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.053 0.773 7.042 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.452 -0.286 6.743 1.00 0.00 H new ATOM 390 N VAL A 24 -1.215 1.278 4.692 1.00 0.00 N ATOM 391 CA VAL A 24 -0.484 2.556 4.439 1.00 0.00 C ATOM 392 C VAL A 24 0.002 3.151 5.765 1.00 0.00 C ATOM 393 O VAL A 24 -0.777 3.398 6.666 1.00 0.00 O ATOM 394 CB VAL A 24 -1.511 3.480 3.772 1.00 0.00 C ATOM 395 CG1 VAL A 24 -0.869 4.839 3.473 1.00 0.00 C ATOM 396 CG2 VAL A 24 -1.991 2.851 2.460 1.00 0.00 C ATOM 0 H VAL A 24 -2.232 1.356 4.696 1.00 0.00 H new ATOM 0 HA VAL A 24 0.396 2.415 3.812 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.357 3.618 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.602 5.492 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.527 5.292 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.020 4.701 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.721 3.508 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.142 2.711 1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.453 1.886 2.667 1.00 0.00 H new ATOM 406 N ALA A 25 1.282 3.406 5.876 1.00 0.00 N ATOM 407 CA ALA A 25 1.825 4.014 7.128 1.00 0.00 C ATOM 408 C ALA A 25 1.633 5.533 7.104 1.00 0.00 C ATOM 409 O ALA A 25 1.221 6.130 8.081 1.00 0.00 O ATOM 410 CB ALA A 25 3.312 3.661 7.126 1.00 0.00 C ATOM 0 H ALA A 25 1.975 3.219 5.152 1.00 0.00 H new ATOM 0 HA ALA A 25 1.320 3.644 8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.785 4.073 8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.429 2.577 7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.784 4.080 6.238 1.00 0.00 H new ATOM 416 N SER A 26 1.905 6.155 5.985 1.00 0.00 N ATOM 417 CA SER A 26 1.712 7.632 5.877 1.00 0.00 C ATOM 418 C SER A 26 1.800 8.072 4.412 1.00 0.00 C ATOM 419 O SER A 26 1.989 7.263 3.524 1.00 0.00 O ATOM 420 CB SER A 26 2.856 8.241 6.688 1.00 0.00 C ATOM 421 OG SER A 26 2.900 9.643 6.458 1.00 0.00 O ATOM 0 H SER A 26 2.253 5.702 5.140 1.00 0.00 H new ATOM 0 HA SER A 26 0.736 7.949 6.246 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.712 8.039 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.803 7.784 6.402 1.00 0.00 H new ATOM 0 HG SER A 26 2.076 10.055 6.791 1.00 0.00 H new ATOM 427 N VAL A 27 1.692 9.352 4.162 1.00 0.00 N ATOM 428 CA VAL A 27 1.802 9.860 2.761 1.00 0.00 C ATOM 429 C VAL A 27 2.683 11.112 2.725 1.00 0.00 C ATOM 430 O VAL A 27 2.968 11.710 3.747 1.00 0.00 O ATOM 431 CB VAL A 27 0.365 10.195 2.343 1.00 0.00 C ATOM 432 CG1 VAL A 27 0.355 10.721 0.904 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.501 8.934 2.423 1.00 0.00 C ATOM 0 H VAL A 27 1.532 10.069 4.870 1.00 0.00 H new ATOM 0 HA VAL A 27 2.257 9.132 2.090 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.033 10.957 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.668 10.958 0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.968 11.620 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.757 9.960 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.522 9.174 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.098 8.173 1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.500 8.556 3.446 1.00 0.00 H new ATOM 443 N ASP A 28 3.092 11.526 1.552 1.00 0.00 N ATOM 444 CA ASP A 28 3.928 12.758 1.436 1.00 0.00 C ATOM 445 C ASP A 28 3.201 13.814 0.599 1.00 0.00 C ATOM 446 O ASP A 28 2.318 13.501 -0.177 1.00 0.00 O ATOM 447 CB ASP A 28 5.207 12.304 0.733 1.00 0.00 C ATOM 448 CG ASP A 28 6.401 13.079 1.292 1.00 0.00 C ATOM 449 OD1 ASP A 28 6.887 12.702 2.347 1.00 0.00 O ATOM 450 OD2 ASP A 28 6.810 14.038 0.657 1.00 0.00 O ATOM 0 H ASP A 28 2.882 11.062 0.668 1.00 0.00 H new ATOM 0 HA ASP A 28 4.135 13.210 2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.354 11.234 0.879 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.123 12.471 -0.341 1.00 0.00 H new ATOM 455 N GLN A 29 3.592 15.056 0.727 1.00 0.00 N ATOM 456 CA GLN A 29 2.954 16.137 -0.086 1.00 0.00 C ATOM 457 C GLN A 29 3.929 16.639 -1.157 1.00 0.00 C ATOM 458 O GLN A 29 3.924 17.803 -1.513 1.00 0.00 O ATOM 459 CB GLN A 29 2.621 17.252 0.913 1.00 0.00 C ATOM 460 CG GLN A 29 3.897 17.724 1.620 1.00 0.00 C ATOM 461 CD GLN A 29 3.634 19.065 2.308 1.00 0.00 C ATOM 462 OE1 GLN A 29 3.832 19.200 3.499 1.00 0.00 O ATOM 463 NE2 GLN A 29 3.192 20.070 1.602 1.00 0.00 N ATOM 0 H GLN A 29 4.327 15.370 1.361 1.00 0.00 H new ATOM 0 HA GLN A 29 2.064 15.788 -0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.153 18.088 0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.902 16.890 1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.214 16.983 2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.708 17.826 0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.026 19.957 0.602 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.013 20.969 2.050 1.00 0.00 H new ATOM 472 N SER A 30 4.743 15.763 -1.687 1.00 0.00 N ATOM 473 CA SER A 30 5.700 16.172 -2.758 1.00 0.00 C ATOM 474 C SER A 30 5.637 15.188 -3.929 1.00 0.00 C ATOM 475 O SER A 30 4.712 14.405 -4.043 1.00 0.00 O ATOM 476 CB SER A 30 7.077 16.129 -2.096 1.00 0.00 C ATOM 477 OG SER A 30 7.343 14.805 -1.653 1.00 0.00 O ATOM 0 H SER A 30 4.786 14.779 -1.423 1.00 0.00 H new ATOM 0 HA SER A 30 5.471 17.159 -3.160 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.843 16.449 -2.802 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.110 16.820 -1.254 1.00 0.00 H new ATOM 0 HG SER A 30 7.275 14.767 -0.676 1.00 0.00 H new ATOM 483 N GLY A 31 6.626 15.210 -4.787 1.00 0.00 N ATOM 484 CA GLY A 31 6.645 14.262 -5.940 1.00 0.00 C ATOM 485 C GLY A 31 7.814 13.289 -5.784 1.00 0.00 C ATOM 486 O GLY A 31 8.533 13.013 -6.726 1.00 0.00 O ATOM 0 H GLY A 31 7.422 15.846 -4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.705 13.712 -5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.740 14.813 -6.876 1.00 0.00 H new ATOM 490 N ILE A 32 7.998 12.756 -4.602 1.00 0.00 N ATOM 491 CA ILE A 32 9.111 11.780 -4.380 1.00 0.00 C ATOM 492 C ILE A 32 8.927 10.550 -5.275 1.00 0.00 C ATOM 493 O ILE A 32 7.971 10.455 -6.022 1.00 0.00 O ATOM 494 CB ILE A 32 9.027 11.390 -2.898 1.00 0.00 C ATOM 495 CG1 ILE A 32 7.648 10.795 -2.590 1.00 0.00 C ATOM 496 CG2 ILE A 32 9.244 12.632 -2.032 1.00 0.00 C ATOM 497 CD1 ILE A 32 7.703 10.038 -1.262 1.00 0.00 C ATOM 0 H ILE A 32 7.426 12.954 -3.781 1.00 0.00 H new ATOM 0 HA ILE A 32 10.083 12.208 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 32 9.796 10.648 -2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.902 11.588 -2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.343 10.122 -3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.185 12.356 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.227 13.055 -2.242 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.476 13.371 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.722 9.615 -1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.437 9.235 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.989 10.723 -0.464 1.00 0.00 H new ATOM 509 N LYS A 33 9.839 9.614 -5.206 1.00 0.00 N ATOM 510 CA LYS A 33 9.727 8.387 -6.056 1.00 0.00 C ATOM 511 C LYS A 33 8.444 7.621 -5.716 1.00 0.00 C ATOM 512 O LYS A 33 7.857 6.973 -6.562 1.00 0.00 O ATOM 513 CB LYS A 33 10.967 7.545 -5.725 1.00 0.00 C ATOM 514 CG LYS A 33 10.992 7.206 -4.231 1.00 0.00 C ATOM 515 CD LYS A 33 12.441 7.180 -3.736 1.00 0.00 C ATOM 516 CE LYS A 33 12.802 8.540 -3.134 1.00 0.00 C ATOM 517 NZ LYS A 33 13.508 9.268 -4.225 1.00 0.00 N ATOM 0 H LYS A 33 10.657 9.645 -4.598 1.00 0.00 H new ATOM 0 HA LYS A 33 9.679 8.629 -7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.961 6.628 -6.314 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.870 8.092 -5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.418 7.944 -3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.521 6.238 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.567 6.396 -2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.114 6.946 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.911 9.079 -2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.440 8.427 -2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.164 9.962 -3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.042 8.590 -4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.812 9.761 -4.820 1.00 0.00 H new ATOM 531 N TYR A 34 7.990 7.720 -4.492 1.00 0.00 N ATOM 532 CA TYR A 34 6.725 7.030 -4.098 1.00 0.00 C ATOM 533 C TYR A 34 5.950 7.882 -3.080 1.00 0.00 C ATOM 534 O TYR A 34 6.220 7.816 -1.897 1.00 0.00 O ATOM 535 CB TYR A 34 7.172 5.712 -3.465 1.00 0.00 C ATOM 536 CG TYR A 34 7.755 4.809 -4.528 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.015 4.512 -5.680 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.034 4.266 -4.361 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.556 3.675 -6.664 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.575 3.429 -5.343 1.00 0.00 C ATOM 541 CZ TYR A 34 8.835 3.133 -6.495 1.00 0.00 C ATOM 542 OH TYR A 34 9.368 2.307 -7.464 1.00 0.00 O ATOM 0 H TYR A 34 8.442 8.250 -3.747 1.00 0.00 H new ATOM 0 HA TYR A 34 6.061 6.869 -4.947 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.914 5.903 -2.689 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.325 5.223 -2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.027 4.929 -5.809 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.604 4.493 -3.473 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.986 3.448 -7.553 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.562 3.011 -5.213 1.00 0.00 H new ATOM 0 HH TYR A 34 10.264 2.018 -7.191 1.00 0.00 H new ATOM 552 N PRO A 35 5.005 8.664 -3.567 1.00 0.00 N ATOM 553 CA PRO A 35 4.194 9.533 -2.666 1.00 0.00 C ATOM 554 C PRO A 35 3.570 8.717 -1.525 1.00 0.00 C ATOM 555 O PRO A 35 3.280 9.244 -0.466 1.00 0.00 O ATOM 556 CB PRO A 35 3.104 10.084 -3.584 1.00 0.00 C ATOM 557 CG PRO A 35 3.686 10.015 -4.957 1.00 0.00 C ATOM 558 CD PRO A 35 4.603 8.821 -4.977 1.00 0.00 C ATOM 0 HA PRO A 35 4.789 10.312 -2.189 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.191 9.493 -3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.843 11.108 -3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.901 9.913 -5.706 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.233 10.928 -5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.094 7.932 -5.350 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.465 8.989 -5.623 1.00 0.00 H new ATOM 566 N VAL A 36 3.278 7.465 -1.769 1.00 0.00 N ATOM 567 CA VAL A 36 2.570 6.643 -0.740 1.00 0.00 C ATOM 568 C VAL A 36 3.555 5.680 -0.067 1.00 0.00 C ATOM 569 O VAL A 36 4.492 5.207 -0.683 1.00 0.00 O ATOM 570 CB VAL A 36 1.497 5.868 -1.513 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.694 4.992 -0.547 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.549 6.854 -2.203 1.00 0.00 C ATOM 0 H VAL A 36 3.499 6.976 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 36 2.134 7.255 0.050 1.00 0.00 H new ATOM 0 HB VAL A 36 1.980 5.238 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.067 4.443 -1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.363 4.287 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.214 5.622 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.213 6.302 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.071 7.484 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.114 7.478 -2.895 1.00 0.00 H new ATOM 582 N ILE A 37 3.316 5.349 1.176 1.00 0.00 N ATOM 583 CA ILE A 37 4.199 4.369 1.881 1.00 0.00 C ATOM 584 C ILE A 37 3.346 3.275 2.532 1.00 0.00 C ATOM 585 O ILE A 37 2.234 3.519 2.962 1.00 0.00 O ATOM 586 CB ILE A 37 4.939 5.186 2.947 1.00 0.00 C ATOM 587 CG1 ILE A 37 5.734 6.310 2.274 1.00 0.00 C ATOM 588 CG2 ILE A 37 5.905 4.279 3.715 1.00 0.00 C ATOM 589 CD1 ILE A 37 4.881 7.579 2.222 1.00 0.00 C ATOM 0 H ILE A 37 2.546 5.716 1.735 1.00 0.00 H new ATOM 0 HA ILE A 37 4.894 3.873 1.203 1.00 0.00 H new ATOM 0 HB ILE A 37 4.212 5.613 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.654 6.500 2.827 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.023 6.012 1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.429 4.863 4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.346 3.478 4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.629 3.849 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.447 8.378 1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.973 7.384 1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.614 7.880 3.235 1.00 0.00 H new ATOM 601 N VAL A 38 3.852 2.069 2.583 1.00 0.00 N ATOM 602 CA VAL A 38 3.065 0.945 3.177 1.00 0.00 C ATOM 603 C VAL A 38 3.893 0.240 4.257 1.00 0.00 C ATOM 604 O VAL A 38 5.092 0.083 4.126 1.00 0.00 O ATOM 605 CB VAL A 38 2.776 -0.005 2.010 1.00 0.00 C ATOM 606 CG1 VAL A 38 1.954 -1.198 2.506 1.00 0.00 C ATOM 607 CG2 VAL A 38 1.984 0.735 0.927 1.00 0.00 C ATOM 0 H VAL A 38 4.777 1.813 2.239 1.00 0.00 H new ATOM 0 HA VAL A 38 2.146 1.288 3.652 1.00 0.00 H new ATOM 0 HB VAL A 38 3.721 -0.359 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.751 -1.871 1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.513 -1.731 3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.012 -0.842 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.780 0.057 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.042 1.092 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.566 1.584 0.567 1.00 0.00 H new ATOM 617 N ARG A 39 3.244 -0.264 5.275 1.00 0.00 N ATOM 618 CA ARG A 39 3.968 -1.055 6.315 1.00 0.00 C ATOM 619 C ARG A 39 3.619 -2.540 6.185 1.00 0.00 C ATOM 620 O ARG A 39 2.515 -2.897 5.817 1.00 0.00 O ATOM 621 CB ARG A 39 3.471 -0.502 7.652 1.00 0.00 C ATOM 622 CG ARG A 39 4.354 -1.030 8.783 1.00 0.00 C ATOM 623 CD ARG A 39 3.800 -0.556 10.129 1.00 0.00 C ATOM 624 NE ARG A 39 4.355 -1.512 11.134 1.00 0.00 N ATOM 625 CZ ARG A 39 3.872 -2.733 11.263 1.00 0.00 C ATOM 626 NH1 ARG A 39 2.910 -3.177 10.487 1.00 0.00 N ATOM 627 NH2 ARG A 39 4.361 -3.517 12.184 1.00 0.00 N ATOM 0 H ARG A 39 2.241 -0.162 5.431 1.00 0.00 H new ATOM 0 HA ARG A 39 5.051 -0.973 6.218 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.493 0.588 7.638 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.435 -0.798 7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.387 -2.119 8.755 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.377 -0.677 8.655 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.109 0.467 10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.710 -0.567 10.133 1.00 0.00 H new ATOM 0 HE ARG A 39 5.124 -1.214 11.734 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.519 -2.574 9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.554 -4.125 10.607 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.108 -3.184 12.794 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.997 -4.463 12.294 1.00 0.00 H new ATOM 641 N PHE A 40 4.560 -3.406 6.468 1.00 0.00 N ATOM 642 CA PHE A 40 4.299 -4.872 6.342 1.00 0.00 C ATOM 643 C PHE A 40 4.475 -5.559 7.699 1.00 0.00 C ATOM 644 O PHE A 40 5.282 -5.148 8.511 1.00 0.00 O ATOM 645 CB PHE A 40 5.344 -5.376 5.346 1.00 0.00 C ATOM 646 CG PHE A 40 5.108 -4.733 4.001 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.970 -5.066 3.256 1.00 0.00 C ATOM 648 CD2 PHE A 40 6.027 -3.805 3.498 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.753 -4.470 2.008 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.810 -3.209 2.250 1.00 0.00 C ATOM 651 CZ PHE A 40 4.671 -3.541 1.506 1.00 0.00 C ATOM 0 H PHE A 40 5.499 -3.160 6.781 1.00 0.00 H new ATOM 0 HA PHE A 40 3.283 -5.084 6.009 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.346 -5.140 5.703 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.285 -6.461 5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.260 -5.782 3.644 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.904 -3.548 4.073 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.876 -4.727 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.520 -2.494 1.861 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.501 -3.080 0.544 1.00 0.00 H new ATOM 661 N GLU A 41 3.760 -6.632 7.926 1.00 0.00 N ATOM 662 CA GLU A 41 3.920 -7.390 9.203 1.00 0.00 C ATOM 663 C GLU A 41 5.040 -8.424 9.067 1.00 0.00 C ATOM 664 O GLU A 41 5.826 -8.621 9.974 1.00 0.00 O ATOM 665 CB GLU A 41 2.574 -8.082 9.424 1.00 0.00 C ATOM 666 CG GLU A 41 1.561 -7.068 9.960 1.00 0.00 C ATOM 667 CD GLU A 41 0.144 -7.604 9.751 1.00 0.00 C ATOM 668 OE1 GLU A 41 -0.281 -8.425 10.548 1.00 0.00 O ATOM 669 OE2 GLU A 41 -0.493 -7.187 8.798 1.00 0.00 O ATOM 0 H GLU A 41 3.071 -7.016 7.280 1.00 0.00 H new ATOM 0 HA GLU A 41 4.187 -6.742 10.038 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.215 -8.510 8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.688 -8.906 10.129 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.739 -6.885 11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.680 -6.114 9.447 1.00 0.00 H new ATOM 676 N LYS A 42 5.156 -9.036 7.915 1.00 0.00 N ATOM 677 CA LYS A 42 6.270 -10.003 7.684 1.00 0.00 C ATOM 678 C LYS A 42 7.566 -9.250 7.370 1.00 0.00 C ATOM 679 O LYS A 42 7.559 -8.053 7.154 1.00 0.00 O ATOM 680 CB LYS A 42 5.830 -10.835 6.479 1.00 0.00 C ATOM 681 CG LYS A 42 6.644 -12.130 6.427 1.00 0.00 C ATOM 682 CD LYS A 42 5.799 -13.240 5.798 1.00 0.00 C ATOM 683 CE LYS A 42 4.695 -13.658 6.773 1.00 0.00 C ATOM 684 NZ LYS A 42 3.502 -13.909 5.919 1.00 0.00 N ATOM 0 H LYS A 42 4.525 -8.907 7.124 1.00 0.00 H new ATOM 0 HA LYS A 42 6.466 -10.624 8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.767 -11.064 6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.972 -10.267 5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.553 -11.977 5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.953 -12.419 7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.360 -12.892 4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.428 -14.097 5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.977 -14.552 7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.498 -12.875 7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.702 -14.200 6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.252 -13.039 5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.717 -14.663 5.236 1.00 0.00 H new ATOM 698 N VAL A 43 8.667 -9.953 7.298 1.00 0.00 N ATOM 699 CA VAL A 43 9.962 -9.295 6.945 1.00 0.00 C ATOM 700 C VAL A 43 10.426 -9.748 5.556 1.00 0.00 C ATOM 701 O VAL A 43 9.733 -10.474 4.868 1.00 0.00 O ATOM 702 CB VAL A 43 10.953 -9.745 8.024 1.00 0.00 C ATOM 703 CG1 VAL A 43 10.470 -9.262 9.393 1.00 0.00 C ATOM 704 CG2 VAL A 43 11.058 -11.275 8.035 1.00 0.00 C ATOM 0 H VAL A 43 8.726 -10.957 7.469 1.00 0.00 H new ATOM 0 HA VAL A 43 9.874 -8.209 6.909 1.00 0.00 H new ATOM 0 HB VAL A 43 11.933 -9.319 7.807 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.174 -9.582 10.161 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.403 -8.174 9.392 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.488 -9.686 9.603 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.764 -11.586 8.805 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.079 -11.705 8.246 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.405 -11.623 7.062 1.00 0.00 H new ATOM 714 N ASN A 44 11.610 -9.355 5.162 1.00 0.00 N ATOM 715 CA ASN A 44 12.149 -9.794 3.841 1.00 0.00 C ATOM 716 C ASN A 44 13.405 -10.652 4.038 1.00 0.00 C ATOM 717 O ASN A 44 13.648 -11.171 5.112 1.00 0.00 O ATOM 718 CB ASN A 44 12.480 -8.496 3.090 1.00 0.00 C ATOM 719 CG ASN A 44 13.537 -7.692 3.857 1.00 0.00 C ATOM 720 OD1 ASN A 44 13.498 -7.607 5.067 1.00 0.00 O ATOM 721 ND2 ASN A 44 14.489 -7.094 3.193 1.00 0.00 N ATOM 0 H ASN A 44 12.228 -8.747 5.700 1.00 0.00 H new ATOM 0 HA ASN A 44 11.438 -10.407 3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.846 -8.730 2.090 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.577 -7.898 2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 44 15.198 -6.557 3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.523 -7.164 2.176 1.00 0.00 H new ATOM 728 N TYR A 45 14.196 -10.810 3.007 1.00 0.00 N ATOM 729 CA TYR A 45 15.435 -11.643 3.125 1.00 0.00 C ATOM 730 C TYR A 45 16.367 -11.062 4.193 1.00 0.00 C ATOM 731 O TYR A 45 17.147 -11.774 4.798 1.00 0.00 O ATOM 732 CB TYR A 45 16.096 -11.581 1.747 1.00 0.00 C ATOM 733 CG TYR A 45 15.292 -12.398 0.765 1.00 0.00 C ATOM 734 CD1 TYR A 45 15.380 -13.795 0.778 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.458 -11.758 -0.161 1.00 0.00 C ATOM 736 CE1 TYR A 45 14.635 -14.553 -0.132 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.712 -12.516 -1.071 1.00 0.00 C ATOM 738 CZ TYR A 45 13.801 -13.914 -1.057 1.00 0.00 C ATOM 739 OH TYR A 45 13.065 -14.661 -1.955 1.00 0.00 O ATOM 0 H TYR A 45 14.039 -10.398 2.087 1.00 0.00 H new ATOM 0 HA TYR A 45 15.211 -12.668 3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 45 16.160 -10.547 1.409 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.116 -11.962 1.804 1.00 0.00 H new ATOM 0 HD1 TYR A 45 16.024 -14.288 1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.391 -10.680 -0.173 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.703 -15.631 -0.121 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.068 -12.023 -1.784 1.00 0.00 H new ATOM 0 HH TYR A 45 12.539 -14.062 -2.525 1.00 0.00 H new ATOM 749 N SER A 46 16.297 -9.775 4.420 1.00 0.00 N ATOM 750 CA SER A 46 17.184 -9.140 5.439 1.00 0.00 C ATOM 751 C SER A 46 16.432 -8.961 6.761 1.00 0.00 C ATOM 752 O SER A 46 16.808 -9.513 7.778 1.00 0.00 O ATOM 753 CB SER A 46 17.558 -7.781 4.847 1.00 0.00 C ATOM 754 OG SER A 46 18.017 -7.960 3.514 1.00 0.00 O ATOM 0 H SER A 46 15.662 -9.136 3.942 1.00 0.00 H new ATOM 0 HA SER A 46 18.063 -9.747 5.655 1.00 0.00 H new ATOM 0 HB2 SER A 46 16.695 -7.116 4.860 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.333 -7.309 5.451 1.00 0.00 H new ATOM 0 HG SER A 46 18.256 -7.090 3.131 1.00 0.00 H new ATOM 760 N GLY A 47 15.387 -8.172 6.756 1.00 0.00 N ATOM 761 CA GLY A 47 14.621 -7.926 8.014 1.00 0.00 C ATOM 762 C GLY A 47 14.051 -6.506 7.995 1.00 0.00 C ATOM 763 O GLY A 47 14.587 -5.606 8.613 1.00 0.00 O ATOM 0 H GLY A 47 15.031 -7.687 5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.814 -8.652 8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.271 -8.057 8.879 1.00 0.00 H new ATOM 767 N ILE A 55 12.998 -6.292 7.247 1.00 0.00 N ATOM 768 CA ILE A 55 12.419 -4.919 7.131 1.00 0.00 C ATOM 769 C ILE A 55 10.895 -4.980 7.283 1.00 0.00 C ATOM 770 O ILE A 55 10.295 -6.031 7.162 1.00 0.00 O ATOM 771 CB ILE A 55 12.805 -4.440 5.726 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.332 -4.424 5.590 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.267 -3.025 5.496 1.00 0.00 C ATOM 774 CD1 ILE A 55 14.711 -4.113 4.141 1.00 0.00 C ATOM 0 H ILE A 55 12.513 -7.011 6.710 1.00 0.00 H new ATOM 0 HA ILE A 55 12.790 -4.244 7.903 1.00 0.00 H new ATOM 0 HB ILE A 55 12.377 -5.118 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.760 -3.676 6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.744 -5.389 5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.543 -2.689 4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.181 -3.029 5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.693 -2.349 6.237 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.797 -4.101 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.296 -4.877 3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.311 -3.138 3.862 1.00 0.00 H new ATOM 786 N ASN A 56 10.266 -3.852 7.492 1.00 0.00 N ATOM 787 CA ASN A 56 8.774 -3.826 7.588 1.00 0.00 C ATOM 788 C ASN A 56 8.240 -2.431 7.246 1.00 0.00 C ATOM 789 O ASN A 56 7.152 -2.060 7.649 1.00 0.00 O ATOM 790 CB ASN A 56 8.457 -4.188 9.045 1.00 0.00 C ATOM 791 CG ASN A 56 9.122 -3.182 9.992 1.00 0.00 C ATOM 792 OD1 ASN A 56 10.319 -3.220 10.194 1.00 0.00 O ATOM 793 ND2 ASN A 56 8.389 -2.280 10.584 1.00 0.00 N ATOM 0 H ASN A 56 10.721 -2.946 7.601 1.00 0.00 H new ATOM 0 HA ASN A 56 8.307 -4.520 6.889 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.378 -4.189 9.202 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.812 -5.195 9.264 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.821 -1.607 11.217 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.384 -2.248 10.414 1.00 0.00 H new ATOM 800 N THR A 57 8.963 -1.687 6.447 1.00 0.00 N ATOM 801 CA THR A 57 8.466 -0.348 6.005 1.00 0.00 C ATOM 802 C THR A 57 9.119 0.046 4.678 1.00 0.00 C ATOM 803 O THR A 57 10.320 0.228 4.598 1.00 0.00 O ATOM 804 CB THR A 57 8.885 0.618 7.116 1.00 0.00 C ATOM 805 OG1 THR A 57 10.204 0.306 7.543 1.00 0.00 O ATOM 806 CG2 THR A 57 7.920 0.493 8.296 1.00 0.00 C ATOM 0 H THR A 57 9.878 -1.950 6.081 1.00 0.00 H new ATOM 0 HA THR A 57 7.388 -0.341 5.844 1.00 0.00 H new ATOM 0 HB THR A 57 8.859 1.640 6.737 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.774 0.153 6.760 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.220 1.182 9.086 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.910 0.736 7.967 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.942 -0.528 8.677 1.00 0.00 H new ATOM 814 N ASN A 58 8.329 0.218 3.648 1.00 0.00 N ATOM 815 CA ASN A 58 8.889 0.649 2.332 1.00 0.00 C ATOM 816 C ASN A 58 8.008 1.737 1.714 1.00 0.00 C ATOM 817 O ASN A 58 6.979 2.096 2.256 1.00 0.00 O ATOM 818 CB ASN A 58 8.875 -0.610 1.465 1.00 0.00 C ATOM 819 CG ASN A 58 10.241 -1.295 1.535 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.875 -1.306 2.573 1.00 0.00 O ATOM 821 ND2 ASN A 58 10.725 -1.871 0.469 1.00 0.00 N ATOM 0 H ASN A 58 7.319 0.078 3.662 1.00 0.00 H new ATOM 0 HA ASN A 58 9.891 1.068 2.426 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.097 -1.292 1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.639 -0.351 0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.635 -2.330 0.506 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.193 -1.862 -0.401 1.00 0.00 H new ATOM 828 N ASN A 59 8.398 2.253 0.576 1.00 0.00 N ATOM 829 CA ASN A 59 7.582 3.309 -0.095 1.00 0.00 C ATOM 830 C ASN A 59 7.057 2.796 -1.439 1.00 0.00 C ATOM 831 O ASN A 59 7.757 2.124 -2.172 1.00 0.00 O ATOM 832 CB ASN A 59 8.543 4.479 -0.305 1.00 0.00 C ATOM 833 CG ASN A 59 9.033 4.989 1.052 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.574 4.236 1.837 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.865 6.246 1.361 1.00 0.00 N ATOM 0 H ASN A 59 9.250 1.987 0.081 1.00 0.00 H new ATOM 0 HA ASN A 59 6.713 3.598 0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.390 4.163 -0.914 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.043 5.281 -0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.188 6.597 2.262 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.411 6.877 0.701 1.00 0.00 H new ATOM 842 N PHE A 60 5.824 3.100 -1.758 1.00 0.00 N ATOM 843 CA PHE A 60 5.238 2.623 -3.047 1.00 0.00 C ATOM 844 C PHE A 60 4.441 3.747 -3.714 1.00 0.00 C ATOM 845 O PHE A 60 3.983 4.666 -3.061 1.00 0.00 O ATOM 846 CB PHE A 60 4.314 1.468 -2.660 1.00 0.00 C ATOM 847 CG PHE A 60 5.126 0.354 -2.044 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.437 0.388 -0.678 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.568 -0.712 -2.836 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.190 -0.645 -0.107 1.00 0.00 C ATOM 851 CE2 PHE A 60 6.321 -1.745 -2.264 1.00 0.00 C ATOM 852 CZ PHE A 60 6.632 -1.711 -0.899 1.00 0.00 C ATOM 0 H PHE A 60 5.197 3.659 -1.180 1.00 0.00 H new ATOM 0 HA PHE A 60 6.004 2.312 -3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.559 1.814 -1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.785 1.102 -3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.096 1.210 -0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.328 -0.738 -3.889 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.430 -0.619 0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.662 -2.568 -2.875 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.213 -2.507 -0.457 1.00 0.00 H new ATOM 862 N ALA A 61 4.234 3.652 -5.003 1.00 0.00 N ATOM 863 CA ALA A 61 3.419 4.683 -5.714 1.00 0.00 C ATOM 864 C ALA A 61 1.929 4.360 -5.585 1.00 0.00 C ATOM 865 O ALA A 61 1.537 3.208 -5.554 1.00 0.00 O ATOM 866 CB ALA A 61 3.861 4.597 -7.176 1.00 0.00 C ATOM 0 H ALA A 61 4.595 2.904 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 61 3.564 5.681 -5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.307 5.326 -7.767 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.928 4.809 -7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.664 3.595 -7.557 1.00 0.00 H new ATOM 872 N GLU A 62 1.095 5.368 -5.548 1.00 0.00 N ATOM 873 CA GLU A 62 -0.380 5.126 -5.467 1.00 0.00 C ATOM 874 C GLU A 62 -0.857 4.333 -6.688 1.00 0.00 C ATOM 875 O GLU A 62 -1.786 3.552 -6.605 1.00 0.00 O ATOM 876 CB GLU A 62 -1.022 6.520 -5.437 1.00 0.00 C ATOM 877 CG GLU A 62 -0.641 7.303 -6.699 1.00 0.00 C ATOM 878 CD GLU A 62 -0.464 8.782 -6.350 1.00 0.00 C ATOM 879 OE1 GLU A 62 -1.239 9.281 -5.550 1.00 0.00 O ATOM 880 OE2 GLU A 62 0.446 9.392 -6.888 1.00 0.00 O ATOM 0 H GLU A 62 1.371 6.350 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.651 4.542 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.106 6.428 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.693 7.062 -4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.282 6.905 -7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.415 7.188 -7.458 1.00 0.00 H new ATOM 887 N ASP A 63 -0.181 4.479 -7.800 1.00 0.00 N ATOM 888 CA ASP A 63 -0.538 3.676 -9.011 1.00 0.00 C ATOM 889 C ASP A 63 -0.197 2.196 -8.794 1.00 0.00 C ATOM 890 O ASP A 63 -0.761 1.324 -9.430 1.00 0.00 O ATOM 891 CB ASP A 63 0.300 4.265 -10.153 1.00 0.00 C ATOM 892 CG ASP A 63 1.791 4.171 -9.814 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.338 3.087 -9.933 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.358 5.184 -9.440 1.00 0.00 O ATOM 0 H ASP A 63 0.603 5.120 -7.922 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.605 3.723 -9.230 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.095 3.728 -11.079 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.022 5.306 -10.319 1.00 0.00 H new ATOM 899 N GLU A 64 0.732 1.909 -7.916 1.00 0.00 N ATOM 900 CA GLU A 64 1.127 0.489 -7.671 1.00 0.00 C ATOM 901 C GLU A 64 0.378 -0.072 -6.458 1.00 0.00 C ATOM 902 O GLU A 64 0.843 -0.985 -5.802 1.00 0.00 O ATOM 903 CB GLU A 64 2.630 0.538 -7.395 1.00 0.00 C ATOM 904 CG GLU A 64 3.397 0.421 -8.714 1.00 0.00 C ATOM 905 CD GLU A 64 4.792 1.029 -8.549 1.00 0.00 C ATOM 906 OE1 GLU A 64 4.912 1.998 -7.819 1.00 0.00 O ATOM 907 OE2 GLU A 64 5.716 0.515 -9.158 1.00 0.00 O ATOM 0 H GLU A 64 1.234 2.599 -7.358 1.00 0.00 H new ATOM 0 HA GLU A 64 0.887 -0.156 -8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.888 1.471 -6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.914 -0.273 -6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.477 -0.625 -9.009 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.856 0.935 -9.508 1.00 0.00 H new ATOM 914 N LEU A 65 -0.794 0.442 -6.180 1.00 0.00 N ATOM 915 CA LEU A 65 -1.599 -0.088 -5.040 1.00 0.00 C ATOM 916 C LEU A 65 -3.074 -0.191 -5.433 1.00 0.00 C ATOM 917 O LEU A 65 -3.693 0.786 -5.811 1.00 0.00 O ATOM 918 CB LEU A 65 -1.415 0.935 -3.916 1.00 0.00 C ATOM 919 CG LEU A 65 0.024 0.875 -3.399 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.246 1.992 -2.378 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.271 -0.480 -2.731 1.00 0.00 C ATOM 0 H LEU A 65 -1.228 1.208 -6.696 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.281 -1.087 -4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.639 1.937 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.113 0.728 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 65 0.714 1.001 -4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.271 1.950 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.070 2.958 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.445 1.866 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.296 -0.523 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.420 -0.606 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.113 -1.278 -3.457 1.00 0.00 H new ATOM 933 N VAL A 66 -3.658 -1.352 -5.276 1.00 0.00 N ATOM 934 CA VAL A 66 -5.116 -1.508 -5.559 1.00 0.00 C ATOM 935 C VAL A 66 -5.906 -1.511 -4.244 1.00 0.00 C ATOM 936 O VAL A 66 -5.490 -2.099 -3.264 1.00 0.00 O ATOM 937 CB VAL A 66 -5.245 -2.859 -6.272 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.713 -3.121 -6.620 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.418 -2.840 -7.560 1.00 0.00 C ATOM 0 H VAL A 66 -3.186 -2.200 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.510 -0.694 -6.167 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.880 -3.647 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.801 -4.082 -7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.306 -3.137 -5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.078 -2.330 -7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.510 -3.801 -8.066 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.783 -2.049 -8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.371 -2.657 -7.318 1.00 0.00 H new ATOM 949 N GLU A 67 -7.052 -0.880 -4.230 1.00 0.00 N ATOM 950 CA GLU A 67 -7.890 -0.866 -2.992 1.00 0.00 C ATOM 951 C GLU A 67 -8.646 -2.190 -2.852 1.00 0.00 C ATOM 952 O GLU A 67 -9.325 -2.625 -3.762 1.00 0.00 O ATOM 953 CB GLU A 67 -8.868 0.293 -3.186 1.00 0.00 C ATOM 954 CG GLU A 67 -9.103 0.993 -1.846 1.00 0.00 C ATOM 955 CD GLU A 67 -8.109 2.145 -1.689 1.00 0.00 C ATOM 956 OE1 GLU A 67 -6.973 1.981 -2.103 1.00 0.00 O ATOM 957 OE2 GLU A 67 -8.500 3.171 -1.159 1.00 0.00 O ATOM 0 H GLU A 67 -7.445 -0.373 -5.023 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.291 -0.745 -2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.470 1.001 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.812 -0.077 -3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.124 1.371 -1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.985 0.283 -1.027 1.00 0.00 H new ATOM 964 N VAL A 68 -8.543 -2.823 -1.711 1.00 0.00 N ATOM 965 CA VAL A 68 -9.267 -4.113 -1.496 1.00 0.00 C ATOM 966 C VAL A 68 -9.973 -4.117 -0.134 1.00 0.00 C ATOM 967 O VAL A 68 -11.100 -4.557 -0.015 1.00 0.00 O ATOM 968 CB VAL A 68 -8.189 -5.202 -1.557 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.528 -5.186 -2.936 1.00 0.00 C ATOM 970 CG2 VAL A 68 -7.124 -4.948 -0.484 1.00 0.00 C ATOM 0 H VAL A 68 -7.988 -2.502 -0.918 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.041 -4.273 -2.246 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.653 -6.172 -1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.761 -5.960 -2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.280 -5.375 -3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.071 -4.212 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.363 -5.727 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.661 -3.976 -0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.590 -4.961 0.501 1.00 0.00 H new ATOM 980 N GLU A 69 -9.330 -3.601 0.889 1.00 0.00 N ATOM 981 CA GLU A 69 -9.965 -3.537 2.249 1.00 0.00 C ATOM 982 C GLU A 69 -10.376 -4.940 2.713 1.00 0.00 C ATOM 983 O GLU A 69 -10.382 -5.881 1.942 1.00 0.00 O ATOM 984 CB GLU A 69 -11.197 -2.635 2.092 1.00 0.00 C ATOM 985 CG GLU A 69 -11.471 -1.901 3.406 1.00 0.00 C ATOM 986 CD GLU A 69 -10.503 -0.725 3.546 1.00 0.00 C ATOM 987 OE1 GLU A 69 -9.369 -0.861 3.115 1.00 0.00 O ATOM 988 OE2 GLU A 69 -10.910 0.292 4.083 1.00 0.00 O ATOM 0 H GLU A 69 -8.386 -3.218 0.841 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.277 -3.144 2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.033 -1.915 1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.064 -3.233 1.811 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.500 -1.543 3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.354 -2.584 4.247 1.00 0.00 H new ATOM 995 N ALA A 70 -10.609 -5.105 3.991 1.00 0.00 N ATOM 996 CA ALA A 70 -10.894 -6.468 4.536 1.00 0.00 C ATOM 997 C ALA A 70 -12.402 -6.758 4.478 1.00 0.00 C ATOM 998 O ALA A 70 -13.181 -5.884 4.150 1.00 0.00 O ATOM 999 CB ALA A 70 -10.412 -6.424 5.987 1.00 0.00 C ATOM 0 H ALA A 70 -10.614 -4.354 4.681 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.397 -7.253 3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.587 -7.391 6.458 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.346 -6.197 6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.959 -5.652 6.529 1.00 0.00 H new ATOM 1005 N PRO A 71 -12.776 -7.983 4.799 1.00 0.00 N ATOM 1006 CA PRO A 71 -14.217 -8.370 4.776 1.00 0.00 C ATOM 1007 C PRO A 71 -15.062 -7.396 5.608 1.00 0.00 C ATOM 1008 O PRO A 71 -14.592 -6.824 6.575 1.00 0.00 O ATOM 1009 CB PRO A 71 -14.225 -9.760 5.408 1.00 0.00 C ATOM 1010 CG PRO A 71 -12.849 -10.294 5.183 1.00 0.00 C ATOM 1011 CD PRO A 71 -11.920 -9.111 5.203 1.00 0.00 C ATOM 0 HA PRO A 71 -14.641 -8.353 3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.460 -9.709 6.471 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.977 -10.399 4.946 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.580 -11.011 5.959 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.788 -10.818 4.229 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.494 -8.954 6.194 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.086 -9.246 4.515 1.00 0.00 H new ATOM 1019 N LYS A 72 -16.310 -7.226 5.251 1.00 0.00 N ATOM 1020 CA LYS A 72 -17.201 -6.316 6.031 1.00 0.00 C ATOM 1021 C LYS A 72 -18.484 -7.049 6.433 1.00 0.00 C ATOM 1022 O LYS A 72 -19.576 -6.538 6.274 1.00 0.00 O ATOM 1023 CB LYS A 72 -17.519 -5.162 5.080 1.00 0.00 C ATOM 1024 CG LYS A 72 -16.429 -4.094 5.190 1.00 0.00 C ATOM 1025 CD LYS A 72 -17.024 -2.721 4.873 1.00 0.00 C ATOM 1026 CE LYS A 72 -17.427 -2.668 3.397 1.00 0.00 C ATOM 1027 NZ LYS A 72 -17.870 -1.264 3.171 1.00 0.00 N ATOM 0 H LYS A 72 -16.751 -7.680 4.451 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.732 -5.968 6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -17.582 -5.528 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -18.490 -4.732 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.005 -4.095 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.615 -4.317 4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.892 -2.534 5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.297 -1.939 5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.590 -2.927 2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.228 -3.375 3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.163 -1.148 2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.672 -1.048 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.085 -0.615 3.379 1.00 0.00 H new ATOM 1041 N ALA A 73 -18.354 -8.233 6.977 1.00 0.00 N ATOM 1042 CA ALA A 73 -19.559 -8.996 7.422 1.00 0.00 C ATOM 1043 C ALA A 73 -19.984 -8.544 8.822 1.00 0.00 C ATOM 1044 O ALA A 73 -19.313 -8.816 9.800 1.00 0.00 O ATOM 1045 CB ALA A 73 -19.117 -10.459 7.441 1.00 0.00 C ATOM 0 H ALA A 73 -17.463 -8.705 7.132 1.00 0.00 H new ATOM 0 HA ALA A 73 -20.414 -8.838 6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -19.950 -11.087 7.759 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -18.800 -10.756 6.441 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -18.286 -10.579 8.136 1.00 0.00 H new ATOM 1051 N LYS A 74 -21.107 -7.881 8.925 1.00 0.00 N ATOM 1052 CA LYS A 74 -21.601 -7.433 10.263 1.00 0.00 C ATOM 1053 C LYS A 74 -22.361 -8.573 10.965 1.00 0.00 C ATOM 1054 O LYS A 74 -22.080 -8.872 12.109 1.00 0.00 O ATOM 1055 CB LYS A 74 -22.536 -6.254 9.972 1.00 0.00 C ATOM 1056 CG LYS A 74 -21.828 -4.938 10.302 1.00 0.00 C ATOM 1057 CD LYS A 74 -22.367 -3.827 9.400 1.00 0.00 C ATOM 1058 CE LYS A 74 -23.835 -3.561 9.738 1.00 0.00 C ATOM 1059 NZ LYS A 74 -24.111 -2.198 9.206 1.00 0.00 N ATOM 0 H LYS A 74 -21.705 -7.630 8.138 1.00 0.00 H new ATOM 0 HA LYS A 74 -20.785 -7.147 10.927 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.834 -6.264 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -23.447 -6.346 10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -21.987 -4.680 11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.753 -5.046 10.160 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.781 -2.918 9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -22.270 -4.115 8.353 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -24.487 -4.304 9.278 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -24.007 -3.608 10.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -25.101 -1.944 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -23.480 -1.511 9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -23.945 -2.186 8.179 1.00 0.00 H new ATOM 1073 N PRO A 75 -23.306 -9.184 10.270 1.00 0.00 N ATOM 1074 CA PRO A 75 -24.091 -10.301 10.875 1.00 0.00 C ATOM 1075 C PRO A 75 -23.163 -11.364 11.479 1.00 0.00 C ATOM 1076 O PRO A 75 -22.592 -12.175 10.773 1.00 0.00 O ATOM 1077 CB PRO A 75 -24.864 -10.880 9.693 1.00 0.00 C ATOM 1078 CG PRO A 75 -24.965 -9.762 8.709 1.00 0.00 C ATOM 1079 CD PRO A 75 -23.737 -8.908 8.887 1.00 0.00 C ATOM 0 HA PRO A 75 -24.736 -9.966 11.687 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -24.345 -11.737 9.264 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -25.851 -11.226 9.999 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -25.022 -10.148 7.691 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -25.869 -9.178 8.880 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -22.961 -9.170 8.168 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -23.962 -7.851 8.743 1.00 0.00 H new ATOM 1087 N LYS A 76 -23.033 -11.379 12.781 1.00 0.00 N ATOM 1088 CA LYS A 76 -22.170 -12.404 13.444 1.00 0.00 C ATOM 1089 C LYS A 76 -22.973 -13.172 14.499 1.00 0.00 C ATOM 1090 O LYS A 76 -22.427 -13.665 15.467 1.00 0.00 O ATOM 1091 CB LYS A 76 -21.030 -11.613 14.096 1.00 0.00 C ATOM 1092 CG LYS A 76 -21.599 -10.595 15.091 1.00 0.00 C ATOM 1093 CD LYS A 76 -20.476 -10.075 15.989 1.00 0.00 C ATOM 1094 CE LYS A 76 -21.060 -9.624 17.330 1.00 0.00 C ATOM 1095 NZ LYS A 76 -20.013 -8.752 17.932 1.00 0.00 N ATOM 0 H LYS A 76 -23.489 -10.724 13.416 1.00 0.00 H new ATOM 0 HA LYS A 76 -21.793 -13.143 12.737 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -20.351 -12.294 14.609 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -20.449 -11.099 13.330 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -22.063 -9.767 14.555 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -22.378 -11.059 15.697 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.733 -10.856 16.149 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -19.965 -9.243 15.505 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -21.994 -9.080 17.191 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -21.280 -10.477 17.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.340 -8.403 18.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -19.137 -9.298 18.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -19.829 -7.945 17.302 1.00 0.00 H new ATOM 1109 N LYS A 77 -24.261 -13.297 14.300 1.00 0.00 N ATOM 1110 CA LYS A 77 -25.104 -14.056 15.272 1.00 0.00 C ATOM 1111 C LYS A 77 -25.977 -15.073 14.531 1.00 0.00 C ATOM 1112 O LYS A 77 -26.294 -14.825 13.380 1.00 0.00 O ATOM 1113 CB LYS A 77 -25.973 -12.999 15.953 1.00 0.00 C ATOM 1114 CG LYS A 77 -26.750 -13.640 17.105 1.00 0.00 C ATOM 1115 CD LYS A 77 -27.663 -12.596 17.750 1.00 0.00 C ATOM 1116 CE LYS A 77 -28.792 -13.301 18.505 1.00 0.00 C ATOM 1117 NZ LYS A 77 -28.283 -13.456 19.897 1.00 0.00 N ATOM 1118 OXT LYS A 77 -26.311 -16.083 15.129 1.00 0.00 O ATOM 0 H LYS A 77 -24.765 -12.905 13.505 1.00 0.00 H new ATOM 0 HA LYS A 77 -24.505 -14.615 15.991 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -25.350 -12.187 16.328 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -26.665 -12.563 15.232 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -27.342 -14.478 16.736 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -26.058 -14.040 17.846 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -27.090 -11.969 18.434 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -28.078 -11.938 16.986 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -29.710 -12.713 18.483 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -29.022 -14.268 18.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -29.002 -13.932 20.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -27.413 -14.025 19.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -28.079 -12.519 20.298 1.00 0.00 H new TER 1132 LYS A 77