USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 770 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 87 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 91 ASN : amide:sc= -2.1 K(o=-2,f=-5.8!) USER MOD Set 1.3: A 93 LYS NZ :NH3+ -154:sc= 0.147 (180deg=-0.341) USER MOD Set 2.1: A 56 LYS NZ :NH3+ -160:sc= -3.63! (180deg=-3.97!) USER MOD Set 2.2: A 57 LYS NZ :NH3+ 131:sc= -2.37! (180deg=-5.02!) USER MOD Set 3.1: A 33 ASN : amide:sc= -1.01 K(o=-1.9,f=-11!) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -141:sc= -0.845! (180deg=-2.87!) USER MOD Set 4.1: A 11 THR OG1 : rot 42:sc= 2.07 USER MOD Set 4.2: A 16 TYR OH : rot -30:sc= 0.908 USER MOD Single : A 1 ASP N :NH3+ -140:sc= 0.175 (180deg=-0.519) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0767 USER MOD Single : A 6 ASN : amide:sc= -3.12! C(o=-3.1!,f=-7.3!) USER MOD Single : A 12 LYS NZ :NH3+ -162:sc= -0.156 (180deg=-0.981!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 46:sc= 0.66 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.191 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.7) USER MOD Single : A 47 TYR OH : rot -100:sc= 1.21 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.4) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.572 K(o=-0.57,f=-5.7!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= 0.079 (180deg=0.0788) USER MOD Single : A 73 LYS NZ :NH3+ -139:sc= -0.285 (180deg=-1.52) USER MOD Single : A 74 TYR OH : rot -150:sc= -0.349 USER MOD Single : A 76 SER OG : rot 124:sc= 0.809 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0904 USER MOD Single : A 98 ASN : amide:sc= -0.831 X(o=-0.83,f=-1.1) USER MOD Single : A 105 TYR OH : rot -72:sc= 0.748 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 77.806 21.668 -8.958 1.00 0.00 N ATOM 2 CA ASP A 1 78.139 23.093 -8.675 1.00 0.00 C ATOM 3 C ASP A 1 79.252 23.551 -9.637 1.00 0.00 C ATOM 4 O ASP A 1 79.381 23.017 -10.721 1.00 0.00 O ATOM 5 CB ASP A 1 78.597 23.221 -7.192 1.00 0.00 C ATOM 6 CG ASP A 1 79.877 22.395 -6.943 1.00 0.00 C ATOM 7 OD1 ASP A 1 79.725 21.201 -6.745 1.00 0.00 O ATOM 8 OD2 ASP A 1 80.935 23.005 -6.964 1.00 0.00 O ATOM 0 H1 ASP A 1 76.777 21.533 -8.895 1.00 0.00 H new ATOM 0 H2 ASP A 1 78.130 21.419 -9.915 1.00 0.00 H new ATOM 0 H3 ASP A 1 78.279 21.056 -8.262 1.00 0.00 H new ATOM 0 HA ASP A 1 77.266 23.728 -8.827 1.00 0.00 H new ATOM 0 HB2 ASP A 1 78.782 24.268 -6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 1 77.802 22.878 -6.530 1.00 0.00 H new ATOM 15 N ARG A 2 80.027 24.522 -9.219 1.00 0.00 N ATOM 16 CA ARG A 2 81.144 25.050 -10.068 1.00 0.00 C ATOM 17 C ARG A 2 82.310 24.047 -10.167 1.00 0.00 C ATOM 18 O ARG A 2 83.331 24.357 -10.751 1.00 0.00 O ATOM 19 CB ARG A 2 81.656 26.377 -9.457 1.00 0.00 C ATOM 20 CG ARG A 2 80.499 27.380 -9.226 1.00 0.00 C ATOM 21 CD ARG A 2 79.787 27.730 -10.552 1.00 0.00 C ATOM 22 NE ARG A 2 78.647 28.651 -10.244 1.00 0.00 N ATOM 23 CZ ARG A 2 77.532 28.211 -9.714 1.00 0.00 C ATOM 24 NH1 ARG A 2 77.379 26.943 -9.434 1.00 0.00 N ATOM 25 NH2 ARG A 2 76.586 29.077 -9.476 1.00 0.00 N ATOM 0 H ARG A 2 79.932 24.979 -8.312 1.00 0.00 H new ATOM 0 HA ARG A 2 80.760 25.214 -11.075 1.00 0.00 H new ATOM 0 HB2 ARG A 2 82.157 26.173 -8.510 1.00 0.00 H new ATOM 0 HB3 ARG A 2 82.397 26.822 -10.121 1.00 0.00 H new ATOM 0 HG2 ARG A 2 79.780 26.954 -8.526 1.00 0.00 H new ATOM 0 HG3 ARG A 2 80.889 28.289 -8.769 1.00 0.00 H new ATOM 0 HD2 ARG A 2 80.483 28.205 -11.243 1.00 0.00 H new ATOM 0 HD3 ARG A 2 79.423 26.825 -11.038 1.00 0.00 H new ATOM 0 HE ARG A 2 78.741 29.645 -10.452 1.00 0.00 H new ATOM 0 HH11 ARG A 2 78.132 26.283 -9.628 1.00 0.00 H new ATOM 0 HH12 ARG A 2 76.506 26.613 -9.022 1.00 0.00 H new ATOM 0 HH21 ARG A 2 76.727 30.062 -9.702 1.00 0.00 H new ATOM 0 HH22 ARG A 2 75.705 28.770 -9.064 1.00 0.00 H new ATOM 39 N ILE A 3 82.123 22.882 -9.596 1.00 0.00 N ATOM 40 CA ILE A 3 83.174 21.823 -9.620 1.00 0.00 C ATOM 41 C ILE A 3 83.519 21.409 -11.066 1.00 0.00 C ATOM 42 O ILE A 3 82.849 20.601 -11.681 1.00 0.00 O ATOM 43 CB ILE A 3 82.639 20.614 -8.757 1.00 0.00 C ATOM 44 CG1 ILE A 3 83.640 19.430 -8.782 1.00 0.00 C ATOM 45 CG2 ILE A 3 81.265 20.095 -9.239 1.00 0.00 C ATOM 46 CD1 ILE A 3 84.946 19.818 -8.067 1.00 0.00 C ATOM 0 H ILE A 3 81.269 22.618 -9.105 1.00 0.00 H new ATOM 0 HA ILE A 3 84.107 22.192 -9.194 1.00 0.00 H new ATOM 0 HB ILE A 3 82.528 21.000 -7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 3 83.197 18.560 -8.297 1.00 0.00 H new ATOM 0 HG13 ILE A 3 83.852 19.146 -9.813 1.00 0.00 H new ATOM 0 HG21 ILE A 3 80.948 19.264 -8.608 1.00 0.00 H new ATOM 0 HG22 ILE A 3 80.531 20.898 -9.177 1.00 0.00 H new ATOM 0 HG23 ILE A 3 81.346 19.756 -10.272 1.00 0.00 H new ATOM 0 HD11 ILE A 3 85.639 18.977 -8.093 1.00 0.00 H new ATOM 0 HD12 ILE A 3 85.396 20.674 -8.570 1.00 0.00 H new ATOM 0 HD13 ILE A 3 84.730 20.079 -7.031 1.00 0.00 H new ATOM 58 N CYS A 4 84.576 22.002 -11.563 1.00 0.00 N ATOM 59 CA CYS A 4 85.036 21.706 -12.950 1.00 0.00 C ATOM 60 C CYS A 4 86.092 20.594 -12.988 1.00 0.00 C ATOM 61 O CYS A 4 87.136 20.704 -13.604 1.00 0.00 O ATOM 62 CB CYS A 4 85.576 23.018 -13.566 1.00 0.00 C ATOM 63 SG CYS A 4 84.320 23.983 -14.436 1.00 0.00 S ATOM 0 H CYS A 4 85.143 22.684 -11.060 1.00 0.00 H new ATOM 0 HA CYS A 4 84.195 21.335 -13.535 1.00 0.00 H new ATOM 0 HB2 CYS A 4 86.008 23.630 -12.774 1.00 0.00 H new ATOM 0 HB3 CYS A 4 86.382 22.779 -14.259 1.00 0.00 H new ATOM 68 N THR A 5 85.754 19.534 -12.304 1.00 0.00 N ATOM 69 CA THR A 5 86.655 18.347 -12.227 1.00 0.00 C ATOM 70 C THR A 5 86.288 17.406 -13.382 1.00 0.00 C ATOM 71 O THR A 5 85.358 17.672 -14.122 1.00 0.00 O ATOM 72 CB THR A 5 86.446 17.676 -10.845 1.00 0.00 C ATOM 73 OG1 THR A 5 87.431 16.652 -10.769 1.00 0.00 O ATOM 74 CG2 THR A 5 85.118 16.902 -10.758 1.00 0.00 C ATOM 0 H THR A 5 84.879 19.439 -11.788 1.00 0.00 H new ATOM 0 HA THR A 5 87.707 18.617 -12.321 1.00 0.00 H new ATOM 0 HB THR A 5 86.481 18.450 -10.079 1.00 0.00 H new ATOM 0 HG1 THR A 5 87.353 16.186 -9.910 1.00 0.00 H new ATOM 0 HG21 THR A 5 85.023 16.452 -9.770 1.00 0.00 H new ATOM 0 HG22 THR A 5 84.286 17.586 -10.927 1.00 0.00 H new ATOM 0 HG23 THR A 5 85.103 16.119 -11.516 1.00 0.00 H new ATOM 82 N ASN A 6 87.030 16.335 -13.496 1.00 0.00 N ATOM 83 CA ASN A 6 86.773 15.341 -14.579 1.00 0.00 C ATOM 84 C ASN A 6 87.389 13.972 -14.265 1.00 0.00 C ATOM 85 O ASN A 6 88.183 13.834 -13.353 1.00 0.00 O ATOM 86 CB ASN A 6 87.342 15.915 -15.901 1.00 0.00 C ATOM 87 CG ASN A 6 88.766 16.465 -15.711 1.00 0.00 C ATOM 88 OD1 ASN A 6 89.633 15.822 -15.156 1.00 0.00 O ATOM 89 ND2 ASN A 6 89.050 17.658 -16.160 1.00 0.00 N ATOM 0 H ASN A 6 87.809 16.105 -12.879 1.00 0.00 H new ATOM 0 HA ASN A 6 85.699 15.177 -14.667 1.00 0.00 H new ATOM 0 HB2 ASN A 6 87.351 15.136 -16.663 1.00 0.00 H new ATOM 0 HB3 ASN A 6 86.690 16.709 -16.264 1.00 0.00 H new ATOM 0 HD21 ASN A 6 89.990 18.037 -16.042 1.00 0.00 H new ATOM 0 HD22 ASN A 6 88.332 18.211 -16.629 1.00 0.00 H new ATOM 96 N CYS A 7 86.986 13.007 -15.055 1.00 0.00 N ATOM 97 CA CYS A 7 87.473 11.600 -14.904 1.00 0.00 C ATOM 98 C CYS A 7 88.999 11.517 -14.916 1.00 0.00 C ATOM 99 O CYS A 7 89.598 10.798 -14.137 1.00 0.00 O ATOM 100 CB CYS A 7 86.919 10.752 -16.048 1.00 0.00 C ATOM 101 SG CYS A 7 87.245 8.987 -15.865 1.00 0.00 S ATOM 0 H CYS A 7 86.322 13.140 -15.818 1.00 0.00 H new ATOM 0 HA CYS A 7 87.124 11.228 -13.941 1.00 0.00 H new ATOM 0 HB2 CYS A 7 85.842 10.909 -16.116 1.00 0.00 H new ATOM 0 HB3 CYS A 7 87.352 11.097 -16.987 1.00 0.00 H new ATOM 106 N CYS A 8 89.550 12.278 -15.827 1.00 0.00 N ATOM 107 CA CYS A 8 91.029 12.370 -16.034 1.00 0.00 C ATOM 108 C CYS A 8 91.710 12.697 -14.702 1.00 0.00 C ATOM 109 O CYS A 8 92.717 12.121 -14.339 1.00 0.00 O ATOM 110 CB CYS A 8 91.272 13.468 -17.048 1.00 0.00 C ATOM 111 SG CYS A 8 92.963 13.847 -17.566 1.00 0.00 S ATOM 0 H CYS A 8 89.011 12.865 -16.463 1.00 0.00 H new ATOM 0 HA CYS A 8 91.440 11.428 -16.397 1.00 0.00 H new ATOM 0 HB2 CYS A 8 90.705 13.216 -17.944 1.00 0.00 H new ATOM 0 HB3 CYS A 8 90.841 14.385 -16.646 1.00 0.00 H new ATOM 116 N ALA A 9 91.097 13.638 -14.034 1.00 0.00 N ATOM 117 CA ALA A 9 91.583 14.120 -12.700 1.00 0.00 C ATOM 118 C ALA A 9 90.953 13.297 -11.556 1.00 0.00 C ATOM 119 O ALA A 9 90.774 13.788 -10.458 1.00 0.00 O ATOM 120 CB ALA A 9 91.211 15.608 -12.554 1.00 0.00 C ATOM 0 H ALA A 9 90.255 14.108 -14.365 1.00 0.00 H new ATOM 0 HA ALA A 9 92.664 13.997 -12.640 1.00 0.00 H new ATOM 0 HB1 ALA A 9 91.557 15.976 -11.588 1.00 0.00 H new ATOM 0 HB2 ALA A 9 91.684 16.181 -13.352 1.00 0.00 H new ATOM 0 HB3 ALA A 9 90.129 15.721 -12.619 1.00 0.00 H new ATOM 126 N GLY A 10 90.638 12.060 -11.853 1.00 0.00 N ATOM 127 CA GLY A 10 90.020 11.149 -10.840 1.00 0.00 C ATOM 128 C GLY A 10 91.099 10.512 -9.951 1.00 0.00 C ATOM 129 O GLY A 10 92.029 11.181 -9.543 1.00 0.00 O ATOM 0 H GLY A 10 90.786 11.637 -12.769 1.00 0.00 H new ATOM 0 HA2 GLY A 10 89.317 11.708 -10.223 1.00 0.00 H new ATOM 0 HA3 GLY A 10 89.451 10.369 -11.345 1.00 0.00 H new ATOM 133 N THR A 11 90.932 9.240 -9.678 1.00 0.00 N ATOM 134 CA THR A 11 91.893 8.461 -8.825 1.00 0.00 C ATOM 135 C THR A 11 91.740 6.960 -9.142 1.00 0.00 C ATOM 136 O THR A 11 90.773 6.343 -8.722 1.00 0.00 O ATOM 137 CB THR A 11 91.609 8.680 -7.297 1.00 0.00 C ATOM 138 OG1 THR A 11 90.234 8.375 -7.106 1.00 0.00 O ATOM 139 CG2 THR A 11 91.754 10.142 -6.836 1.00 0.00 C ATOM 0 H THR A 11 90.144 8.690 -10.021 1.00 0.00 H new ATOM 0 HA THR A 11 92.903 8.808 -9.045 1.00 0.00 H new ATOM 0 HB THR A 11 92.320 8.068 -6.742 1.00 0.00 H new ATOM 0 HG1 THR A 11 90.004 7.570 -7.615 1.00 0.00 H new ATOM 0 HG21 THR A 11 91.542 10.210 -5.769 1.00 0.00 H new ATOM 0 HG22 THR A 11 92.771 10.484 -7.026 1.00 0.00 H new ATOM 0 HG23 THR A 11 91.052 10.768 -7.386 1.00 0.00 H new ATOM 147 N LYS A 12 92.693 6.418 -9.872 1.00 0.00 N ATOM 148 CA LYS A 12 92.636 4.962 -10.233 1.00 0.00 C ATOM 149 C LYS A 12 92.468 4.071 -8.990 1.00 0.00 C ATOM 150 O LYS A 12 93.410 3.706 -8.314 1.00 0.00 O ATOM 151 CB LYS A 12 93.937 4.567 -11.008 1.00 0.00 C ATOM 152 CG LYS A 12 95.249 4.993 -10.284 1.00 0.00 C ATOM 153 CD LYS A 12 96.490 4.385 -11.000 1.00 0.00 C ATOM 154 CE LYS A 12 96.495 4.688 -12.515 1.00 0.00 C ATOM 155 NZ LYS A 12 97.769 4.210 -13.124 1.00 0.00 N ATOM 0 H LYS A 12 93.505 6.921 -10.232 1.00 0.00 H new ATOM 0 HA LYS A 12 91.764 4.803 -10.868 1.00 0.00 H new ATOM 0 HB2 LYS A 12 93.948 3.487 -11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 12 93.913 5.024 -11.997 1.00 0.00 H new ATOM 0 HG2 LYS A 12 95.327 6.080 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 12 95.222 4.662 -9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 12 97.399 4.782 -10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 12 96.504 3.306 -10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 12 95.647 4.200 -12.995 1.00 0.00 H new ATOM 0 HE3 LYS A 12 96.382 5.759 -12.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 97.908 4.671 -14.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 98.564 4.446 -12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 97.726 3.179 -13.256 1.00 0.00 H new ATOM 169 N GLY A 13 91.226 3.753 -8.733 1.00 0.00 N ATOM 170 CA GLY A 13 90.880 2.899 -7.564 1.00 0.00 C ATOM 171 C GLY A 13 89.371 2.918 -7.320 1.00 0.00 C ATOM 172 O GLY A 13 88.821 1.908 -6.925 1.00 0.00 O ATOM 0 H GLY A 13 90.428 4.054 -9.293 1.00 0.00 H new ATOM 0 HA2 GLY A 13 91.214 1.876 -7.741 1.00 0.00 H new ATOM 0 HA3 GLY A 13 91.403 3.256 -6.677 1.00 0.00 H new ATOM 176 N CYS A 14 88.743 4.050 -7.560 1.00 0.00 N ATOM 177 CA CYS A 14 87.260 4.134 -7.337 1.00 0.00 C ATOM 178 C CYS A 14 86.498 4.297 -8.643 1.00 0.00 C ATOM 179 O CYS A 14 87.057 4.685 -9.651 1.00 0.00 O ATOM 180 CB CYS A 14 86.935 5.317 -6.402 1.00 0.00 C ATOM 181 SG CYS A 14 87.251 5.113 -4.629 1.00 0.00 S ATOM 0 H CYS A 14 89.185 4.906 -7.895 1.00 0.00 H new ATOM 0 HA CYS A 14 86.944 3.197 -6.878 1.00 0.00 H new ATOM 0 HB2 CYS A 14 87.505 6.180 -6.745 1.00 0.00 H new ATOM 0 HB3 CYS A 14 85.880 5.561 -6.527 1.00 0.00 H new ATOM 186 N LYS A 15 85.228 3.993 -8.564 1.00 0.00 N ATOM 187 CA LYS A 15 84.336 4.089 -9.751 1.00 0.00 C ATOM 188 C LYS A 15 83.529 5.383 -9.641 1.00 0.00 C ATOM 189 O LYS A 15 82.474 5.407 -9.037 1.00 0.00 O ATOM 190 CB LYS A 15 83.423 2.841 -9.765 1.00 0.00 C ATOM 191 CG LYS A 15 84.303 1.568 -9.720 1.00 0.00 C ATOM 192 CD LYS A 15 83.409 0.319 -9.629 1.00 0.00 C ATOM 193 CE LYS A 15 84.305 -0.926 -9.531 1.00 0.00 C ATOM 194 NZ LYS A 15 83.461 -2.147 -9.397 1.00 0.00 N ATOM 0 H LYS A 15 84.767 3.677 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 15 84.898 4.116 -10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 15 82.746 2.861 -8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.804 2.838 -10.662 1.00 0.00 H new ATOM 0 HG2 LYS A 15 84.928 1.515 -10.612 1.00 0.00 H new ATOM 0 HG3 LYS A 15 84.974 1.609 -8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 15 82.757 0.384 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 15 82.764 0.252 -10.505 1.00 0.00 H new ATOM 0 HE2 LYS A 15 84.934 -1.003 -10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 15 84.972 -0.838 -8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 84.072 -2.986 -9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 82.879 -2.074 -8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 82.842 -2.234 -10.228 1.00 0.00 H new ATOM 208 N TYR A 16 84.071 6.419 -10.237 1.00 0.00 N ATOM 209 CA TYR A 16 83.412 7.762 -10.228 1.00 0.00 C ATOM 210 C TYR A 16 81.938 7.641 -10.590 1.00 0.00 C ATOM 211 O TYR A 16 81.552 6.929 -11.498 1.00 0.00 O ATOM 212 CB TYR A 16 84.184 8.670 -11.209 1.00 0.00 C ATOM 213 CG TYR A 16 85.436 9.089 -10.424 1.00 0.00 C ATOM 214 CD1 TYR A 16 86.547 8.271 -10.333 1.00 0.00 C ATOM 215 CD2 TYR A 16 85.444 10.303 -9.770 1.00 0.00 C ATOM 216 CE1 TYR A 16 87.643 8.666 -9.594 1.00 0.00 C ATOM 217 CE2 TYR A 16 86.538 10.698 -9.034 1.00 0.00 C ATOM 218 CZ TYR A 16 87.642 9.882 -8.940 1.00 0.00 C ATOM 219 OH TYR A 16 88.729 10.285 -8.193 1.00 0.00 O ATOM 0 H TYR A 16 84.959 6.388 -10.738 1.00 0.00 H new ATOM 0 HA TYR A 16 83.443 8.203 -9.232 1.00 0.00 H new ATOM 0 HB2 TYR A 16 84.446 8.137 -12.123 1.00 0.00 H new ATOM 0 HB3 TYR A 16 83.590 9.535 -11.503 1.00 0.00 H new ATOM 0 HD1 TYR A 16 86.557 7.319 -10.843 1.00 0.00 H new ATOM 0 HD2 TYR A 16 84.582 10.951 -9.836 1.00 0.00 H new ATOM 0 HE1 TYR A 16 88.506 8.021 -9.527 1.00 0.00 H new ATOM 0 HE2 TYR A 16 86.530 11.652 -8.528 1.00 0.00 H new ATOM 0 HH TYR A 16 89.181 9.498 -7.822 1.00 0.00 H new ATOM 229 N PHE A 17 81.168 8.372 -9.831 1.00 0.00 N ATOM 230 CA PHE A 17 79.692 8.392 -9.998 1.00 0.00 C ATOM 231 C PHE A 17 79.077 9.763 -9.686 1.00 0.00 C ATOM 232 O PHE A 17 79.654 10.593 -9.010 1.00 0.00 O ATOM 233 CB PHE A 17 79.203 7.259 -9.081 1.00 0.00 C ATOM 234 CG PHE A 17 77.708 7.259 -8.794 1.00 0.00 C ATOM 235 CD1 PHE A 17 77.201 8.069 -7.802 1.00 0.00 C ATOM 236 CD2 PHE A 17 76.858 6.442 -9.507 1.00 0.00 C ATOM 237 CE1 PHE A 17 75.857 8.062 -7.523 1.00 0.00 C ATOM 238 CE2 PHE A 17 75.514 6.432 -9.232 1.00 0.00 C ATOM 239 CZ PHE A 17 75.008 7.244 -8.237 1.00 0.00 C ATOM 0 H PHE A 17 81.514 8.972 -9.082 1.00 0.00 H new ATOM 0 HA PHE A 17 79.381 8.230 -11.030 1.00 0.00 H new ATOM 0 HB2 PHE A 17 79.470 6.305 -9.535 1.00 0.00 H new ATOM 0 HB3 PHE A 17 79.739 7.322 -8.134 1.00 0.00 H new ATOM 0 HD1 PHE A 17 77.863 8.712 -7.242 1.00 0.00 H new ATOM 0 HD2 PHE A 17 77.252 5.806 -10.286 1.00 0.00 H new ATOM 0 HE1 PHE A 17 75.464 8.698 -6.743 1.00 0.00 H new ATOM 0 HE2 PHE A 17 74.852 5.789 -9.794 1.00 0.00 H new ATOM 0 HZ PHE A 17 73.950 7.238 -8.019 1.00 0.00 H new ATOM 249 N SER A 18 77.895 9.910 -10.224 1.00 0.00 N ATOM 250 CA SER A 18 77.082 11.160 -10.077 1.00 0.00 C ATOM 251 C SER A 18 75.794 10.998 -9.247 1.00 0.00 C ATOM 252 O SER A 18 75.034 10.062 -9.417 1.00 0.00 O ATOM 253 CB SER A 18 76.744 11.644 -11.489 1.00 0.00 C ATOM 254 OG SER A 18 75.892 12.764 -11.309 1.00 0.00 O ATOM 0 H SER A 18 77.440 9.187 -10.782 1.00 0.00 H new ATOM 0 HA SER A 18 77.678 11.882 -9.518 1.00 0.00 H new ATOM 0 HB2 SER A 18 77.645 11.920 -12.036 1.00 0.00 H new ATOM 0 HB3 SER A 18 76.249 10.862 -12.064 1.00 0.00 H new ATOM 0 HG SER A 18 76.266 13.352 -10.620 1.00 0.00 H new ATOM 260 N ASP A 19 75.629 11.971 -8.383 1.00 0.00 N ATOM 261 CA ASP A 19 74.472 12.085 -7.434 1.00 0.00 C ATOM 262 C ASP A 19 73.089 11.958 -8.080 1.00 0.00 C ATOM 263 O ASP A 19 72.142 11.564 -7.428 1.00 0.00 O ATOM 264 CB ASP A 19 74.563 13.450 -6.709 1.00 0.00 C ATOM 265 CG ASP A 19 74.816 14.576 -7.739 1.00 0.00 C ATOM 266 OD1 ASP A 19 73.882 14.895 -8.456 1.00 0.00 O ATOM 267 OD2 ASP A 19 75.939 15.055 -7.752 1.00 0.00 O ATOM 0 H ASP A 19 76.294 12.739 -8.293 1.00 0.00 H new ATOM 0 HA ASP A 19 74.557 11.241 -6.750 1.00 0.00 H new ATOM 0 HB2 ASP A 19 73.639 13.645 -6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 19 75.368 13.429 -5.975 1.00 0.00 H new ATOM 272 N ASP A 20 73.018 12.298 -9.339 1.00 0.00 N ATOM 273 CA ASP A 20 71.727 12.221 -10.091 1.00 0.00 C ATOM 274 C ASP A 20 71.215 10.772 -10.217 1.00 0.00 C ATOM 275 O ASP A 20 70.158 10.532 -10.767 1.00 0.00 O ATOM 276 CB ASP A 20 71.952 12.845 -11.491 1.00 0.00 C ATOM 277 CG ASP A 20 73.167 12.239 -12.237 1.00 0.00 C ATOM 278 OD1 ASP A 20 73.638 11.182 -11.845 1.00 0.00 O ATOM 279 OD2 ASP A 20 73.564 12.894 -13.186 1.00 0.00 O ATOM 0 H ASP A 20 73.810 12.631 -9.888 1.00 0.00 H new ATOM 0 HA ASP A 20 70.961 12.771 -9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 20 71.055 12.703 -12.094 1.00 0.00 H new ATOM 0 HB3 ASP A 20 72.098 13.920 -11.384 1.00 0.00 H new ATOM 284 N GLY A 21 71.995 9.857 -9.697 1.00 0.00 N ATOM 285 CA GLY A 21 71.639 8.409 -9.736 1.00 0.00 C ATOM 286 C GLY A 21 72.190 7.780 -11.012 1.00 0.00 C ATOM 287 O GLY A 21 71.626 6.828 -11.517 1.00 0.00 O ATOM 0 H GLY A 21 72.883 10.060 -9.237 1.00 0.00 H new ATOM 0 HA2 GLY A 21 72.047 7.900 -8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 21 70.556 8.289 -9.698 1.00 0.00 H new ATOM 291 N THR A 22 73.275 8.334 -11.495 1.00 0.00 N ATOM 292 CA THR A 22 73.913 7.814 -12.739 1.00 0.00 C ATOM 293 C THR A 22 75.424 7.717 -12.531 1.00 0.00 C ATOM 294 O THR A 22 76.002 8.470 -11.774 1.00 0.00 O ATOM 295 CB THR A 22 73.595 8.778 -13.886 1.00 0.00 C ATOM 296 OG1 THR A 22 72.177 8.864 -13.913 1.00 0.00 O ATOM 297 CG2 THR A 22 73.973 8.197 -15.262 1.00 0.00 C ATOM 0 H THR A 22 73.749 9.133 -11.074 1.00 0.00 H new ATOM 0 HA THR A 22 73.530 6.822 -12.979 1.00 0.00 H new ATOM 0 HB THR A 22 74.133 9.712 -13.725 1.00 0.00 H new ATOM 0 HG1 THR A 22 71.900 9.472 -14.630 1.00 0.00 H new ATOM 0 HG21 THR A 22 73.728 8.918 -16.041 1.00 0.00 H new ATOM 0 HG22 THR A 22 75.042 7.986 -15.286 1.00 0.00 H new ATOM 0 HG23 THR A 22 73.417 7.275 -15.433 1.00 0.00 H new ATOM 305 N PHE A 23 76.003 6.776 -13.226 1.00 0.00 N ATOM 306 CA PHE A 23 77.474 6.528 -13.159 1.00 0.00 C ATOM 307 C PHE A 23 78.231 7.566 -14.003 1.00 0.00 C ATOM 308 O PHE A 23 77.667 8.176 -14.892 1.00 0.00 O ATOM 309 CB PHE A 23 77.695 5.092 -13.662 1.00 0.00 C ATOM 310 CG PHE A 23 79.185 4.751 -13.826 1.00 0.00 C ATOM 311 CD1 PHE A 23 80.000 4.568 -12.737 1.00 0.00 C ATOM 312 CD2 PHE A 23 79.731 4.616 -15.079 1.00 0.00 C ATOM 313 CE1 PHE A 23 81.334 4.256 -12.893 1.00 0.00 C ATOM 314 CE2 PHE A 23 81.062 4.305 -15.250 1.00 0.00 C ATOM 315 CZ PHE A 23 81.916 4.112 -14.159 1.00 0.00 C ATOM 0 H PHE A 23 75.503 6.150 -13.857 1.00 0.00 H new ATOM 0 HA PHE A 23 77.858 6.630 -12.144 1.00 0.00 H new ATOM 0 HB2 PHE A 23 77.240 4.391 -12.963 1.00 0.00 H new ATOM 0 HB3 PHE A 23 77.188 4.963 -14.618 1.00 0.00 H new ATOM 0 HD1 PHE A 23 79.590 4.670 -11.743 1.00 0.00 H new ATOM 0 HD2 PHE A 23 79.104 4.756 -15.947 1.00 0.00 H new ATOM 0 HE1 PHE A 23 81.947 4.119 -12.015 1.00 0.00 H new ATOM 0 HE2 PHE A 23 81.456 4.208 -16.251 1.00 0.00 H new ATOM 0 HZ PHE A 23 82.960 3.867 -14.285 1.00 0.00 H new ATOM 325 N VAL A 24 79.491 7.723 -13.685 1.00 0.00 N ATOM 326 CA VAL A 24 80.369 8.694 -14.409 1.00 0.00 C ATOM 327 C VAL A 24 81.490 7.923 -15.124 1.00 0.00 C ATOM 328 O VAL A 24 81.458 7.782 -16.330 1.00 0.00 O ATOM 329 CB VAL A 24 80.940 9.702 -13.363 1.00 0.00 C ATOM 330 CG1 VAL A 24 81.938 10.675 -14.023 1.00 0.00 C ATOM 331 CG2 VAL A 24 79.784 10.542 -12.792 1.00 0.00 C ATOM 0 H VAL A 24 79.958 7.208 -12.938 1.00 0.00 H new ATOM 0 HA VAL A 24 79.812 9.248 -15.165 1.00 0.00 H new ATOM 0 HB VAL A 24 81.444 9.132 -12.583 1.00 0.00 H new ATOM 0 HG11 VAL A 24 82.321 11.367 -13.273 1.00 0.00 H new ATOM 0 HG12 VAL A 24 82.766 10.111 -14.453 1.00 0.00 H new ATOM 0 HG13 VAL A 24 81.433 11.236 -14.810 1.00 0.00 H new ATOM 0 HG21 VAL A 24 80.175 11.249 -12.060 1.00 0.00 H new ATOM 0 HG22 VAL A 24 79.297 11.088 -13.600 1.00 0.00 H new ATOM 0 HG23 VAL A 24 79.060 9.885 -12.311 1.00 0.00 H new ATOM 341 N CYS A 25 82.441 7.446 -14.360 1.00 0.00 N ATOM 342 CA CYS A 25 83.590 6.679 -14.943 1.00 0.00 C ATOM 343 C CYS A 25 84.353 6.020 -13.781 1.00 0.00 C ATOM 344 O CYS A 25 83.832 5.866 -12.695 1.00 0.00 O ATOM 345 CB CYS A 25 84.534 7.644 -15.673 1.00 0.00 C ATOM 346 SG CYS A 25 85.772 8.422 -14.607 1.00 0.00 S ATOM 0 H CYS A 25 82.472 7.555 -13.346 1.00 0.00 H new ATOM 0 HA CYS A 25 83.227 5.930 -15.647 1.00 0.00 H new ATOM 0 HB2 CYS A 25 85.045 7.102 -16.468 1.00 0.00 H new ATOM 0 HB3 CYS A 25 83.940 8.424 -16.150 1.00 0.00 H new ATOM 351 N GLU A 26 85.569 5.646 -14.068 1.00 0.00 N ATOM 352 CA GLU A 26 86.471 5.003 -13.065 1.00 0.00 C ATOM 353 C GLU A 26 87.766 5.834 -13.116 1.00 0.00 C ATOM 354 O GLU A 26 88.136 6.310 -14.173 1.00 0.00 O ATOM 355 CB GLU A 26 86.723 3.540 -13.474 1.00 0.00 C ATOM 356 CG GLU A 26 87.521 2.836 -12.354 1.00 0.00 C ATOM 357 CD GLU A 26 87.689 1.349 -12.702 1.00 0.00 C ATOM 358 OE1 GLU A 26 88.628 1.062 -13.428 1.00 0.00 O ATOM 359 OE2 GLU A 26 86.868 0.583 -12.222 1.00 0.00 O ATOM 0 H GLU A 26 85.991 5.763 -14.989 1.00 0.00 H new ATOM 0 HA GLU A 26 86.054 4.982 -12.058 1.00 0.00 H new ATOM 0 HB2 GLU A 26 85.776 3.027 -13.641 1.00 0.00 H new ATOM 0 HB3 GLU A 26 87.276 3.501 -14.412 1.00 0.00 H new ATOM 0 HG2 GLU A 26 88.498 3.306 -12.238 1.00 0.00 H new ATOM 0 HG3 GLU A 26 87.002 2.941 -11.401 1.00 0.00 H new ATOM 366 N GLY A 27 88.410 5.983 -11.982 1.00 0.00 N ATOM 367 CA GLY A 27 89.682 6.769 -11.871 1.00 0.00 C ATOM 368 C GLY A 27 90.602 6.738 -13.101 1.00 0.00 C ATOM 369 O GLY A 27 91.305 5.770 -13.320 1.00 0.00 O ATOM 0 H GLY A 27 88.095 5.579 -11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 27 89.427 7.807 -11.659 1.00 0.00 H new ATOM 0 HA3 GLY A 27 90.242 6.397 -11.013 1.00 0.00 H new ATOM 373 N GLU A 28 90.560 7.809 -13.859 1.00 0.00 N ATOM 374 CA GLU A 28 91.400 7.931 -15.093 1.00 0.00 C ATOM 375 C GLU A 28 92.591 8.857 -14.756 1.00 0.00 C ATOM 376 O GLU A 28 93.086 9.598 -15.583 1.00 0.00 O ATOM 377 CB GLU A 28 90.486 8.504 -16.202 1.00 0.00 C ATOM 378 CG GLU A 28 91.156 8.516 -17.591 1.00 0.00 C ATOM 379 CD GLU A 28 90.176 9.177 -18.579 1.00 0.00 C ATOM 380 OE1 GLU A 28 90.083 10.393 -18.517 1.00 0.00 O ATOM 381 OE2 GLU A 28 89.574 8.432 -19.336 1.00 0.00 O ATOM 0 H GLU A 28 89.968 8.618 -13.670 1.00 0.00 H new ATOM 0 HA GLU A 28 91.807 6.982 -15.441 1.00 0.00 H new ATOM 0 HB2 GLU A 28 89.571 7.914 -16.252 1.00 0.00 H new ATOM 0 HB3 GLU A 28 90.196 9.520 -15.936 1.00 0.00 H new ATOM 0 HG2 GLU A 28 92.095 9.068 -17.558 1.00 0.00 H new ATOM 0 HG3 GLU A 28 91.394 7.501 -17.910 1.00 0.00 H new ATOM 388 N SER A 29 93.005 8.767 -13.517 1.00 0.00 N ATOM 389 CA SER A 29 94.148 9.579 -12.991 1.00 0.00 C ATOM 390 C SER A 29 95.197 8.608 -12.450 1.00 0.00 C ATOM 391 O SER A 29 94.846 7.552 -11.957 1.00 0.00 O ATOM 392 CB SER A 29 93.653 10.469 -11.865 1.00 0.00 C ATOM 393 OG SER A 29 94.767 11.277 -11.513 1.00 0.00 O ATOM 0 H SER A 29 92.585 8.145 -12.826 1.00 0.00 H new ATOM 0 HA SER A 29 94.573 10.203 -13.777 1.00 0.00 H new ATOM 0 HB2 SER A 29 92.810 11.080 -12.187 1.00 0.00 H new ATOM 0 HB3 SER A 29 93.312 9.877 -11.016 1.00 0.00 H new ATOM 0 HG SER A 29 94.515 11.883 -10.785 1.00 0.00 H new ATOM 399 N ASP A 30 96.441 9.005 -12.556 1.00 0.00 N ATOM 400 CA ASP A 30 97.569 8.156 -12.069 1.00 0.00 C ATOM 401 C ASP A 30 98.496 8.960 -11.131 1.00 0.00 C ATOM 402 O ASP A 30 99.415 9.612 -11.592 1.00 0.00 O ATOM 403 CB ASP A 30 98.356 7.638 -13.298 1.00 0.00 C ATOM 404 CG ASP A 30 99.521 6.707 -12.884 1.00 0.00 C ATOM 405 OD1 ASP A 30 99.471 6.153 -11.794 1.00 0.00 O ATOM 406 OD2 ASP A 30 100.418 6.598 -13.703 1.00 0.00 O ATOM 0 H ASP A 30 96.725 9.895 -12.966 1.00 0.00 H new ATOM 0 HA ASP A 30 97.176 7.315 -11.498 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.680 7.100 -13.962 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.750 8.484 -13.861 1.00 0.00 H new ATOM 411 N PRO A 31 98.240 8.891 -9.840 1.00 0.00 N ATOM 412 CA PRO A 31 99.071 9.582 -8.807 1.00 0.00 C ATOM 413 C PRO A 31 100.572 9.265 -8.931 1.00 0.00 C ATOM 414 O PRO A 31 101.387 9.966 -8.361 1.00 0.00 O ATOM 415 CB PRO A 31 98.503 9.141 -7.456 1.00 0.00 C ATOM 416 CG PRO A 31 97.161 8.449 -7.735 1.00 0.00 C ATOM 417 CD PRO A 31 97.104 8.129 -9.234 1.00 0.00 C ATOM 0 HA PRO A 31 99.016 10.663 -8.933 1.00 0.00 H new ATOM 0 HB2 PRO A 31 99.190 8.461 -6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 31 98.365 9.999 -6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 31 97.071 7.537 -7.145 1.00 0.00 H new ATOM 0 HG3 PRO A 31 96.331 9.095 -7.450 1.00 0.00 H new ATOM 0 HD2 PRO A 31 97.208 7.059 -9.413 1.00 0.00 H new ATOM 0 HD3 PRO A 31 96.151 8.433 -9.666 1.00 0.00 H new ATOM 425 N ARG A 32 100.895 8.226 -9.668 1.00 0.00 N ATOM 426 CA ARG A 32 102.327 7.838 -9.853 1.00 0.00 C ATOM 427 C ARG A 32 103.053 9.003 -10.535 1.00 0.00 C ATOM 428 O ARG A 32 104.078 9.453 -10.060 1.00 0.00 O ATOM 429 CB ARG A 32 102.399 6.570 -10.733 1.00 0.00 C ATOM 430 CG ARG A 32 103.860 6.115 -10.979 1.00 0.00 C ATOM 431 CD ARG A 32 104.543 5.698 -9.659 1.00 0.00 C ATOM 432 NE ARG A 32 105.941 5.258 -9.969 1.00 0.00 N ATOM 433 CZ ARG A 32 106.202 4.074 -10.469 1.00 0.00 C ATOM 434 NH1 ARG A 32 105.239 3.226 -10.719 1.00 0.00 N ATOM 435 NH2 ARG A 32 107.449 3.773 -10.709 1.00 0.00 N ATOM 0 H ARG A 32 100.223 7.629 -10.150 1.00 0.00 H new ATOM 0 HA ARG A 32 102.798 7.624 -8.894 1.00 0.00 H new ATOM 0 HB2 ARG A 32 101.844 5.764 -10.253 1.00 0.00 H new ATOM 0 HB3 ARG A 32 101.914 6.765 -11.690 1.00 0.00 H new ATOM 0 HG2 ARG A 32 103.871 5.278 -11.677 1.00 0.00 H new ATOM 0 HG3 ARG A 32 104.423 6.925 -11.443 1.00 0.00 H new ATOM 0 HD2 ARG A 32 104.555 6.532 -8.958 1.00 0.00 H new ATOM 0 HD3 ARG A 32 103.988 4.890 -9.183 1.00 0.00 H new ATOM 0 HE ARG A 32 106.713 5.899 -9.786 1.00 0.00 H new ATOM 0 HH11 ARG A 32 104.271 3.482 -10.525 1.00 0.00 H new ATOM 0 HH12 ARG A 32 105.456 2.308 -11.108 1.00 0.00 H new ATOM 0 HH21 ARG A 32 108.185 4.450 -10.508 1.00 0.00 H new ATOM 0 HH22 ARG A 32 107.688 2.861 -11.098 1.00 0.00 H new ATOM 449 N ASN A 33 102.487 9.450 -11.630 1.00 0.00 N ATOM 450 CA ASN A 33 103.097 10.584 -12.384 1.00 0.00 C ATOM 451 C ASN A 33 102.523 11.927 -11.876 1.00 0.00 C ATOM 452 O ASN A 33 101.337 12.016 -11.620 1.00 0.00 O ATOM 453 CB ASN A 33 102.813 10.393 -13.904 1.00 0.00 C ATOM 454 CG ASN A 33 101.342 10.071 -14.205 1.00 0.00 C ATOM 455 OD1 ASN A 33 100.429 10.754 -13.793 1.00 0.00 O ATOM 456 ND2 ASN A 33 101.074 9.025 -14.936 1.00 0.00 N ATOM 0 H ASN A 33 101.628 9.076 -12.033 1.00 0.00 H new ATOM 0 HA ASN A 33 104.175 10.600 -12.225 1.00 0.00 H new ATOM 0 HB2 ASN A 33 103.097 11.300 -14.438 1.00 0.00 H new ATOM 0 HB3 ASN A 33 103.441 9.588 -14.287 1.00 0.00 H new ATOM 0 HD21 ASN A 33 100.106 8.790 -15.155 1.00 0.00 H new ATOM 0 HD22 ASN A 33 101.833 8.442 -15.289 1.00 0.00 H new ATOM 463 N PRO A 34 103.363 12.931 -11.735 1.00 0.00 N ATOM 464 CA PRO A 34 102.929 14.307 -11.352 1.00 0.00 C ATOM 465 C PRO A 34 102.244 15.003 -12.540 1.00 0.00 C ATOM 466 O PRO A 34 102.868 15.234 -13.558 1.00 0.00 O ATOM 467 CB PRO A 34 104.199 15.023 -10.910 1.00 0.00 C ATOM 468 CG PRO A 34 105.368 14.249 -11.546 1.00 0.00 C ATOM 469 CD PRO A 34 104.844 12.850 -11.922 1.00 0.00 C ATOM 0 HA PRO A 34 102.192 14.306 -10.549 1.00 0.00 H new ATOM 0 HB2 PRO A 34 104.195 16.062 -11.239 1.00 0.00 H new ATOM 0 HB3 PRO A 34 104.283 15.033 -9.823 1.00 0.00 H new ATOM 0 HG2 PRO A 34 105.738 14.770 -12.429 1.00 0.00 H new ATOM 0 HG3 PRO A 34 106.202 14.172 -10.848 1.00 0.00 H new ATOM 0 HD2 PRO A 34 105.099 12.596 -12.951 1.00 0.00 H new ATOM 0 HD3 PRO A 34 105.281 12.080 -11.286 1.00 0.00 H new ATOM 477 N LYS A 35 100.983 15.313 -12.368 1.00 0.00 N ATOM 478 CA LYS A 35 100.195 15.996 -13.444 1.00 0.00 C ATOM 479 C LYS A 35 98.855 16.531 -12.922 1.00 0.00 C ATOM 480 O LYS A 35 98.502 16.326 -11.777 1.00 0.00 O ATOM 481 CB LYS A 35 99.965 14.986 -14.625 1.00 0.00 C ATOM 482 CG LYS A 35 99.490 13.577 -14.173 1.00 0.00 C ATOM 483 CD LYS A 35 98.052 13.577 -13.602 1.00 0.00 C ATOM 484 CE LYS A 35 97.637 12.140 -13.223 1.00 0.00 C ATOM 485 NZ LYS A 35 97.651 11.246 -14.417 1.00 0.00 N ATOM 0 H LYS A 35 100.457 15.119 -11.516 1.00 0.00 H new ATOM 0 HA LYS A 35 100.762 16.858 -13.796 1.00 0.00 H new ATOM 0 HB2 LYS A 35 99.226 15.405 -15.308 1.00 0.00 H new ATOM 0 HB3 LYS A 35 100.894 14.882 -15.186 1.00 0.00 H new ATOM 0 HG2 LYS A 35 99.538 12.894 -15.021 1.00 0.00 H new ATOM 0 HG3 LYS A 35 100.175 13.194 -13.417 1.00 0.00 H new ATOM 0 HD2 LYS A 35 97.999 14.223 -12.726 1.00 0.00 H new ATOM 0 HD3 LYS A 35 97.359 13.983 -14.339 1.00 0.00 H new ATOM 0 HE2 LYS A 35 98.316 11.750 -12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 35 96.640 12.150 -12.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 96.842 10.594 -14.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 97.585 11.820 -15.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 98.536 10.699 -14.431 1.00 0.00 H new ATOM 499 N ALA A 36 98.153 17.208 -13.797 1.00 0.00 N ATOM 500 CA ALA A 36 96.823 17.796 -13.449 1.00 0.00 C ATOM 501 C ALA A 36 96.050 18.069 -14.744 1.00 0.00 C ATOM 502 O ALA A 36 96.516 18.796 -15.601 1.00 0.00 O ATOM 503 CB ALA A 36 97.034 19.110 -12.675 1.00 0.00 C ATOM 0 H ALA A 36 98.452 17.381 -14.757 1.00 0.00 H new ATOM 0 HA ALA A 36 96.257 17.104 -12.826 1.00 0.00 H new ATOM 0 HB1 ALA A 36 96.066 19.541 -12.420 1.00 0.00 H new ATOM 0 HB2 ALA A 36 97.594 18.908 -11.762 1.00 0.00 H new ATOM 0 HB3 ALA A 36 97.592 19.812 -13.295 1.00 0.00 H new ATOM 509 N CYS A 37 94.888 17.475 -14.842 1.00 0.00 N ATOM 510 CA CYS A 37 94.031 17.656 -16.052 1.00 0.00 C ATOM 511 C CYS A 37 93.299 19.003 -15.930 1.00 0.00 C ATOM 512 O CYS A 37 93.617 19.940 -16.637 1.00 0.00 O ATOM 513 CB CYS A 37 93.039 16.490 -16.110 1.00 0.00 C ATOM 514 SG CYS A 37 93.706 14.815 -15.957 1.00 0.00 S ATOM 0 H CYS A 37 94.492 16.865 -14.126 1.00 0.00 H new ATOM 0 HA CYS A 37 94.622 17.663 -16.968 1.00 0.00 H new ATOM 0 HB2 CYS A 37 92.305 16.633 -15.317 1.00 0.00 H new ATOM 0 HB3 CYS A 37 92.502 16.553 -17.056 1.00 0.00 H new ATOM 519 N THR A 38 92.347 19.036 -15.025 1.00 0.00 N ATOM 520 CA THR A 38 91.510 20.245 -14.738 1.00 0.00 C ATOM 521 C THR A 38 91.222 21.102 -15.988 1.00 0.00 C ATOM 522 O THR A 38 91.730 22.197 -16.135 1.00 0.00 O ATOM 523 CB THR A 38 92.248 21.078 -13.652 1.00 0.00 C ATOM 524 OG1 THR A 38 92.456 20.166 -12.581 1.00 0.00 O ATOM 525 CG2 THR A 38 91.329 22.154 -13.036 1.00 0.00 C ATOM 0 H THR A 38 92.107 18.231 -14.446 1.00 0.00 H new ATOM 0 HA THR A 38 90.532 19.916 -14.387 1.00 0.00 H new ATOM 0 HB THR A 38 93.135 21.539 -14.088 1.00 0.00 H new ATOM 0 HG1 THR A 38 92.923 20.621 -11.850 1.00 0.00 H new ATOM 0 HG21 THR A 38 91.881 22.715 -12.282 1.00 0.00 H new ATOM 0 HG22 THR A 38 90.990 22.834 -13.818 1.00 0.00 H new ATOM 0 HG23 THR A 38 90.467 21.674 -12.573 1.00 0.00 H new ATOM 533 N LEU A 39 90.411 20.555 -16.857 1.00 0.00 N ATOM 534 CA LEU A 39 90.039 21.268 -18.117 1.00 0.00 C ATOM 535 C LEU A 39 88.569 20.961 -18.450 1.00 0.00 C ATOM 536 O LEU A 39 87.861 21.824 -18.931 1.00 0.00 O ATOM 537 CB LEU A 39 91.035 20.800 -19.225 1.00 0.00 C ATOM 538 CG LEU A 39 90.935 19.282 -19.549 1.00 0.00 C ATOM 539 CD1 LEU A 39 90.031 19.085 -20.782 1.00 0.00 C ATOM 540 CD2 LEU A 39 92.340 18.718 -19.853 1.00 0.00 C ATOM 0 H LEU A 39 89.986 19.634 -16.746 1.00 0.00 H new ATOM 0 HA LEU A 39 90.116 22.351 -18.025 1.00 0.00 H new ATOM 0 HB2 LEU A 39 90.848 21.371 -20.135 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.052 21.029 -18.908 1.00 0.00 H new ATOM 0 HG LEU A 39 90.513 18.757 -18.692 1.00 0.00 H new ATOM 0 HD11 LEU A 39 89.958 18.022 -21.013 1.00 0.00 H new ATOM 0 HD12 LEU A 39 89.037 19.480 -20.571 1.00 0.00 H new ATOM 0 HD13 LEU A 39 90.458 19.613 -21.634 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.264 17.654 -20.079 1.00 0.00 H new ATOM 0 HD22 LEU A 39 92.765 19.242 -20.709 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.984 18.859 -18.985 1.00 0.00 H new ATOM 552 N ASN A 40 88.153 19.745 -18.185 1.00 0.00 N ATOM 553 CA ASN A 40 86.738 19.331 -18.455 1.00 0.00 C ATOM 554 C ASN A 40 85.984 19.549 -17.136 1.00 0.00 C ATOM 555 O ASN A 40 86.508 19.245 -16.081 1.00 0.00 O ATOM 556 CB ASN A 40 86.667 17.838 -18.844 1.00 0.00 C ATOM 557 CG ASN A 40 87.237 17.591 -20.243 1.00 0.00 C ATOM 558 OD1 ASN A 40 88.022 16.687 -20.451 1.00 0.00 O ATOM 559 ND2 ASN A 40 86.872 18.363 -21.230 1.00 0.00 N ATOM 0 H ASN A 40 88.741 19.012 -17.788 1.00 0.00 H new ATOM 0 HA ASN A 40 86.313 19.904 -19.279 1.00 0.00 H new ATOM 0 HB2 ASN A 40 87.220 17.245 -18.116 1.00 0.00 H new ATOM 0 HB3 ASN A 40 85.631 17.501 -18.808 1.00 0.00 H new ATOM 0 HD21 ASN A 40 87.245 18.205 -22.166 1.00 0.00 H new ATOM 0 HD22 ASN A 40 86.214 19.124 -21.065 1.00 0.00 H new ATOM 566 N CYS A 41 84.784 20.068 -17.229 1.00 0.00 N ATOM 567 CA CYS A 41 83.967 20.323 -16.000 1.00 0.00 C ATOM 568 C CYS A 41 82.902 19.247 -15.766 1.00 0.00 C ATOM 569 O CYS A 41 82.169 18.904 -16.674 1.00 0.00 O ATOM 570 CB CYS A 41 83.282 21.700 -16.132 1.00 0.00 C ATOM 571 SG CYS A 41 84.339 23.163 -16.282 1.00 0.00 S ATOM 0 H CYS A 41 84.333 20.327 -18.106 1.00 0.00 H new ATOM 0 HA CYS A 41 84.641 20.301 -15.144 1.00 0.00 H new ATOM 0 HB2 CYS A 41 82.631 21.667 -17.006 1.00 0.00 H new ATOM 0 HB3 CYS A 41 82.641 21.839 -15.262 1.00 0.00 H new ATOM 576 N ASP A 42 82.857 18.748 -14.552 1.00 0.00 N ATOM 577 CA ASP A 42 81.859 17.694 -14.184 1.00 0.00 C ATOM 578 C ASP A 42 81.009 18.194 -12.988 1.00 0.00 C ATOM 579 O ASP A 42 81.214 17.772 -11.866 1.00 0.00 O ATOM 580 CB ASP A 42 82.634 16.389 -13.828 1.00 0.00 C ATOM 581 CG ASP A 42 81.697 15.170 -13.614 1.00 0.00 C ATOM 582 OD1 ASP A 42 80.494 15.353 -13.498 1.00 0.00 O ATOM 583 OD2 ASP A 42 82.260 14.089 -13.576 1.00 0.00 O ATOM 0 H ASP A 42 83.477 19.030 -13.793 1.00 0.00 H new ATOM 0 HA ASP A 42 81.183 17.486 -15.013 1.00 0.00 H new ATOM 0 HB2 ASP A 42 83.340 16.162 -14.627 1.00 0.00 H new ATOM 0 HB3 ASP A 42 83.219 16.555 -12.923 1.00 0.00 H new ATOM 588 N PRO A 43 80.071 19.082 -13.257 1.00 0.00 N ATOM 589 CA PRO A 43 79.223 19.725 -12.206 1.00 0.00 C ATOM 590 C PRO A 43 78.345 18.694 -11.479 1.00 0.00 C ATOM 591 O PRO A 43 78.135 18.783 -10.284 1.00 0.00 O ATOM 592 CB PRO A 43 78.386 20.777 -12.932 1.00 0.00 C ATOM 593 CG PRO A 43 78.508 20.485 -14.432 1.00 0.00 C ATOM 594 CD PRO A 43 79.721 19.566 -14.629 1.00 0.00 C ATOM 0 HA PRO A 43 79.834 20.181 -11.427 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.345 20.730 -12.613 1.00 0.00 H new ATOM 0 HB3 PRO A 43 78.744 21.781 -12.704 1.00 0.00 H new ATOM 0 HG2 PRO A 43 77.602 20.008 -14.804 1.00 0.00 H new ATOM 0 HG3 PRO A 43 78.634 21.411 -14.993 1.00 0.00 H new ATOM 0 HD2 PRO A 43 79.482 18.734 -15.291 1.00 0.00 H new ATOM 0 HD3 PRO A 43 80.554 20.104 -15.081 1.00 0.00 H new ATOM 602 N ARG A 44 77.869 17.748 -12.247 1.00 0.00 N ATOM 603 CA ARG A 44 76.991 16.664 -11.708 1.00 0.00 C ATOM 604 C ARG A 44 77.714 15.591 -10.883 1.00 0.00 C ATOM 605 O ARG A 44 77.063 14.756 -10.289 1.00 0.00 O ATOM 606 CB ARG A 44 76.237 16.019 -12.911 1.00 0.00 C ATOM 607 CG ARG A 44 77.183 15.567 -14.044 1.00 0.00 C ATOM 608 CD ARG A 44 77.712 14.130 -13.860 1.00 0.00 C ATOM 609 NE ARG A 44 76.565 13.177 -14.010 1.00 0.00 N ATOM 610 CZ ARG A 44 76.657 12.056 -14.687 1.00 0.00 C ATOM 611 NH1 ARG A 44 77.766 11.705 -15.282 1.00 0.00 N ATOM 612 NH2 ARG A 44 75.604 11.290 -14.749 1.00 0.00 N ATOM 0 H ARG A 44 78.056 17.680 -13.247 1.00 0.00 H new ATOM 0 HA ARG A 44 76.305 17.127 -10.999 1.00 0.00 H new ATOM 0 HB2 ARG A 44 75.667 15.160 -12.557 1.00 0.00 H new ATOM 0 HB3 ARG A 44 75.519 16.736 -13.309 1.00 0.00 H new ATOM 0 HG2 ARG A 44 76.656 15.634 -14.996 1.00 0.00 H new ATOM 0 HG3 ARG A 44 78.028 16.254 -14.098 1.00 0.00 H new ATOM 0 HD2 ARG A 44 78.484 13.913 -14.599 1.00 0.00 H new ATOM 0 HD3 ARG A 44 78.171 14.018 -12.878 1.00 0.00 H new ATOM 0 HE ARG A 44 75.676 13.409 -13.568 1.00 0.00 H new ATOM 0 HH11 ARG A 44 78.587 12.308 -15.227 1.00 0.00 H new ATOM 0 HH12 ARG A 44 77.811 10.828 -15.802 1.00 0.00 H new ATOM 0 HH21 ARG A 44 74.742 11.569 -14.280 1.00 0.00 H new ATOM 0 HH22 ARG A 44 75.642 10.412 -15.267 1.00 0.00 H new ATOM 626 N ILE A 45 79.024 15.632 -10.855 1.00 0.00 N ATOM 627 CA ILE A 45 79.789 14.606 -10.065 1.00 0.00 C ATOM 628 C ILE A 45 79.367 14.593 -8.577 1.00 0.00 C ATOM 629 O ILE A 45 78.855 15.575 -8.073 1.00 0.00 O ATOM 630 CB ILE A 45 81.313 14.920 -10.188 1.00 0.00 C ATOM 631 CG1 ILE A 45 82.124 13.665 -9.747 1.00 0.00 C ATOM 632 CG2 ILE A 45 81.688 16.137 -9.292 1.00 0.00 C ATOM 633 CD1 ILE A 45 83.618 13.852 -10.070 1.00 0.00 C ATOM 0 H ILE A 45 79.596 16.324 -11.339 1.00 0.00 H new ATOM 0 HA ILE A 45 79.569 13.618 -10.469 1.00 0.00 H new ATOM 0 HB ILE A 45 81.550 15.168 -11.222 1.00 0.00 H new ATOM 0 HG12 ILE A 45 81.995 13.498 -8.678 1.00 0.00 H new ATOM 0 HG13 ILE A 45 81.743 12.780 -10.257 1.00 0.00 H new ATOM 0 HG21 ILE A 45 82.754 16.345 -9.388 1.00 0.00 H new ATOM 0 HG22 ILE A 45 81.118 17.011 -9.608 1.00 0.00 H new ATOM 0 HG23 ILE A 45 81.455 15.909 -8.252 1.00 0.00 H new ATOM 0 HD11 ILE A 45 84.172 12.967 -9.756 1.00 0.00 H new ATOM 0 HD12 ILE A 45 83.743 13.997 -11.143 1.00 0.00 H new ATOM 0 HD13 ILE A 45 83.998 14.725 -9.540 1.00 0.00 H new ATOM 645 N ALA A 46 79.599 13.475 -7.933 1.00 0.00 N ATOM 646 CA ALA A 46 79.246 13.322 -6.486 1.00 0.00 C ATOM 647 C ALA A 46 80.376 12.610 -5.736 1.00 0.00 C ATOM 648 O ALA A 46 81.029 13.197 -4.895 1.00 0.00 O ATOM 649 CB ALA A 46 77.958 12.512 -6.375 1.00 0.00 C ATOM 0 H ALA A 46 80.024 12.650 -8.355 1.00 0.00 H new ATOM 0 HA ALA A 46 79.104 14.307 -6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 46 77.692 12.394 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 46 77.155 13.032 -6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 46 78.106 11.530 -6.824 1.00 0.00 H new ATOM 655 N TYR A 47 80.566 11.360 -6.072 1.00 0.00 N ATOM 656 CA TYR A 47 81.632 10.531 -5.430 1.00 0.00 C ATOM 657 C TYR A 47 81.941 9.325 -6.300 1.00 0.00 C ATOM 658 O TYR A 47 81.212 9.020 -7.221 1.00 0.00 O ATOM 659 CB TYR A 47 81.172 10.027 -4.048 1.00 0.00 C ATOM 660 CG TYR A 47 79.848 9.248 -4.191 1.00 0.00 C ATOM 661 CD1 TYR A 47 79.858 7.890 -4.455 1.00 0.00 C ATOM 662 CD2 TYR A 47 78.634 9.894 -4.062 1.00 0.00 C ATOM 663 CE1 TYR A 47 78.677 7.193 -4.589 1.00 0.00 C ATOM 664 CE2 TYR A 47 77.452 9.195 -4.196 1.00 0.00 C ATOM 665 CZ TYR A 47 77.466 7.840 -4.460 1.00 0.00 C ATOM 666 OH TYR A 47 76.284 7.140 -4.594 1.00 0.00 O ATOM 0 H TYR A 47 80.017 10.869 -6.778 1.00 0.00 H new ATOM 0 HA TYR A 47 82.519 11.153 -5.314 1.00 0.00 H new ATOM 0 HB2 TYR A 47 81.937 9.385 -3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 47 81.038 10.869 -3.370 1.00 0.00 H new ATOM 0 HD1 TYR A 47 80.800 7.372 -4.557 1.00 0.00 H new ATOM 0 HD2 TYR A 47 78.610 10.954 -3.855 1.00 0.00 H new ATOM 0 HE1 TYR A 47 78.700 6.133 -4.796 1.00 0.00 H new ATOM 0 HE2 TYR A 47 76.509 9.712 -4.094 1.00 0.00 H new ATOM 0 HH TYR A 47 75.923 7.277 -5.495 1.00 0.00 H new ATOM 676 N GLY A 48 83.020 8.681 -5.951 1.00 0.00 N ATOM 677 CA GLY A 48 83.473 7.471 -6.698 1.00 0.00 C ATOM 678 C GLY A 48 83.421 6.255 -5.785 1.00 0.00 C ATOM 679 O GLY A 48 84.192 6.158 -4.849 1.00 0.00 O ATOM 0 H GLY A 48 83.617 8.945 -5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 48 82.838 7.311 -7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 48 84.488 7.618 -7.066 1.00 0.00 H new ATOM 683 N VAL A 49 82.512 5.359 -6.080 1.00 0.00 N ATOM 684 CA VAL A 49 82.384 4.131 -5.242 1.00 0.00 C ATOM 685 C VAL A 49 83.445 3.070 -5.606 1.00 0.00 C ATOM 686 O VAL A 49 83.421 2.485 -6.669 1.00 0.00 O ATOM 687 CB VAL A 49 80.921 3.586 -5.423 1.00 0.00 C ATOM 688 CG1 VAL A 49 80.558 3.309 -6.906 1.00 0.00 C ATOM 689 CG2 VAL A 49 80.730 2.291 -4.599 1.00 0.00 C ATOM 0 H VAL A 49 81.858 5.425 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 49 82.565 4.373 -4.195 1.00 0.00 H new ATOM 0 HB VAL A 49 80.251 4.367 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.536 2.935 -6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 49 80.641 4.232 -7.479 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.242 2.565 -7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 49 79.713 1.922 -4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 49 81.438 1.535 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 49 80.905 2.502 -3.544 1.00 0.00 H new ATOM 699 N CYS A 50 84.360 2.860 -4.690 1.00 0.00 N ATOM 700 CA CYS A 50 85.448 1.852 -4.905 1.00 0.00 C ATOM 701 C CYS A 50 84.887 0.437 -4.630 1.00 0.00 C ATOM 702 O CYS A 50 83.998 0.293 -3.814 1.00 0.00 O ATOM 703 CB CYS A 50 86.629 2.158 -3.943 1.00 0.00 C ATOM 704 SG CYS A 50 87.997 3.244 -4.442 1.00 0.00 S ATOM 0 H CYS A 50 84.400 3.348 -3.795 1.00 0.00 H new ATOM 0 HA CYS A 50 85.807 1.901 -5.933 1.00 0.00 H new ATOM 0 HB2 CYS A 50 86.198 2.585 -3.037 1.00 0.00 H new ATOM 0 HB3 CYS A 50 87.069 1.200 -3.665 1.00 0.00 H new ATOM 709 N PRO A 51 85.411 -0.564 -5.309 1.00 0.00 N ATOM 710 CA PRO A 51 84.819 -1.937 -5.312 1.00 0.00 C ATOM 711 C PRO A 51 84.803 -2.560 -3.905 1.00 0.00 C ATOM 712 O PRO A 51 83.752 -2.743 -3.324 1.00 0.00 O ATOM 713 CB PRO A 51 85.665 -2.748 -6.305 1.00 0.00 C ATOM 714 CG PRO A 51 86.914 -1.909 -6.622 1.00 0.00 C ATOM 715 CD PRO A 51 86.646 -0.472 -6.150 1.00 0.00 C ATOM 0 HA PRO A 51 83.772 -1.921 -5.614 1.00 0.00 H new ATOM 0 HB2 PRO A 51 85.945 -3.710 -5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 51 85.100 -2.956 -7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 51 87.788 -2.320 -6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 51 87.125 -1.927 -7.691 1.00 0.00 H new ATOM 0 HD2 PRO A 51 87.486 -0.082 -5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 51 86.499 0.200 -6.995 1.00 0.00 H new ATOM 723 N ARG A 52 85.977 -2.862 -3.410 1.00 0.00 N ATOM 724 CA ARG A 52 86.113 -3.474 -2.051 1.00 0.00 C ATOM 725 C ARG A 52 87.502 -3.171 -1.447 1.00 0.00 C ATOM 726 O ARG A 52 87.796 -2.016 -1.206 1.00 0.00 O ATOM 727 CB ARG A 52 85.858 -5.017 -2.185 1.00 0.00 C ATOM 728 CG ARG A 52 86.708 -5.660 -3.319 1.00 0.00 C ATOM 729 CD ARG A 52 86.572 -7.195 -3.251 1.00 0.00 C ATOM 730 NE ARG A 52 85.133 -7.558 -3.449 1.00 0.00 N ATOM 731 CZ ARG A 52 84.660 -8.730 -3.103 1.00 0.00 C ATOM 732 NH1 ARG A 52 85.434 -9.638 -2.567 1.00 0.00 N ATOM 733 NH2 ARG A 52 83.394 -8.958 -3.314 1.00 0.00 N ATOM 0 H ARG A 52 86.860 -2.708 -3.897 1.00 0.00 H new ATOM 0 HA ARG A 52 85.380 -3.045 -1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 52 86.091 -5.505 -1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 52 84.801 -5.192 -2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 52 86.373 -5.297 -4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 52 87.754 -5.371 -3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 52 87.189 -7.663 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 52 86.926 -7.564 -2.288 1.00 0.00 H new ATOM 0 HE ARG A 52 84.502 -6.873 -3.865 1.00 0.00 H new ATOM 0 HH11 ARG A 52 86.422 -9.439 -2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 52 85.049 -10.545 -2.304 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.809 -8.236 -3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 52 82.988 -9.858 -3.058 1.00 0.00 H new ATOM 747 N SER A 53 88.308 -4.184 -1.217 1.00 0.00 N ATOM 748 CA SER A 53 89.680 -4.006 -0.633 1.00 0.00 C ATOM 749 C SER A 53 89.577 -3.312 0.737 1.00 0.00 C ATOM 750 O SER A 53 90.301 -2.385 1.046 1.00 0.00 O ATOM 751 CB SER A 53 90.543 -3.164 -1.615 1.00 0.00 C ATOM 752 OG SER A 53 90.515 -3.909 -2.824 1.00 0.00 O ATOM 0 H SER A 53 88.064 -5.154 -1.416 1.00 0.00 H new ATOM 0 HA SER A 53 90.153 -4.977 -0.488 1.00 0.00 H new ATOM 0 HB2 SER A 53 90.130 -2.165 -1.753 1.00 0.00 H new ATOM 0 HB3 SER A 53 91.561 -3.040 -1.246 1.00 0.00 H new ATOM 0 HG SER A 53 91.040 -3.443 -3.508 1.00 0.00 H new ATOM 758 N GLU A 54 88.651 -3.817 1.512 1.00 0.00 N ATOM 759 CA GLU A 54 88.389 -3.284 2.885 1.00 0.00 C ATOM 760 C GLU A 54 88.034 -4.451 3.819 1.00 0.00 C ATOM 761 O GLU A 54 88.370 -4.428 4.987 1.00 0.00 O ATOM 762 CB GLU A 54 87.227 -2.273 2.789 1.00 0.00 C ATOM 763 CG GLU A 54 86.910 -1.670 4.175 1.00 0.00 C ATOM 764 CD GLU A 54 85.809 -0.604 4.021 1.00 0.00 C ATOM 765 OE1 GLU A 54 84.676 -1.010 3.816 1.00 0.00 O ATOM 766 OE2 GLU A 54 86.162 0.561 4.117 1.00 0.00 O ATOM 0 H GLU A 54 88.050 -4.596 1.244 1.00 0.00 H new ATOM 0 HA GLU A 54 89.268 -2.783 3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 54 87.488 -1.477 2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 54 86.341 -2.767 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 54 86.583 -2.453 4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 54 87.807 -1.225 4.605 1.00 0.00 H new ATOM 773 N GLU A 55 87.363 -5.432 3.262 1.00 0.00 N ATOM 774 CA GLU A 55 86.936 -6.648 4.029 1.00 0.00 C ATOM 775 C GLU A 55 86.175 -6.287 5.319 1.00 0.00 C ATOM 776 O GLU A 55 86.305 -6.946 6.333 1.00 0.00 O ATOM 777 CB GLU A 55 88.199 -7.492 4.363 1.00 0.00 C ATOM 778 CG GLU A 55 88.852 -7.980 3.054 1.00 0.00 C ATOM 779 CD GLU A 55 90.068 -8.863 3.388 1.00 0.00 C ATOM 780 OE1 GLU A 55 89.837 -10.024 3.687 1.00 0.00 O ATOM 781 OE2 GLU A 55 91.163 -8.330 3.327 1.00 0.00 O ATOM 0 H GLU A 55 87.086 -5.440 2.280 1.00 0.00 H new ATOM 0 HA GLU A 55 86.247 -7.223 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 55 88.908 -6.894 4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 55 87.926 -8.344 4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 55 88.130 -8.544 2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 55 89.162 -7.128 2.450 1.00 0.00 H new ATOM 788 N LYS A 56 85.396 -5.236 5.221 1.00 0.00 N ATOM 789 CA LYS A 56 84.581 -4.744 6.377 1.00 0.00 C ATOM 790 C LYS A 56 83.719 -5.899 6.917 1.00 0.00 C ATOM 791 O LYS A 56 83.970 -6.415 7.988 1.00 0.00 O ATOM 792 CB LYS A 56 83.698 -3.583 5.879 1.00 0.00 C ATOM 793 CG LYS A 56 82.816 -3.023 7.027 1.00 0.00 C ATOM 794 CD LYS A 56 81.707 -2.093 6.469 1.00 0.00 C ATOM 795 CE LYS A 56 80.463 -2.907 6.017 1.00 0.00 C ATOM 796 NZ LYS A 56 80.795 -3.876 4.935 1.00 0.00 N ATOM 0 H LYS A 56 85.289 -4.686 4.368 1.00 0.00 H new ATOM 0 HA LYS A 56 85.221 -4.390 7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 56 84.328 -2.788 5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 56 83.063 -3.928 5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 56 82.362 -3.847 7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 56 83.437 -2.472 7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 56 81.415 -1.373 7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 56 82.097 -1.523 5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 56 80.051 -3.444 6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 56 79.690 -2.223 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 79.925 -4.147 4.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 81.458 -3.435 4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 81.233 -4.723 5.350 1.00 0.00 H new ATOM 810 N LYS A 57 82.730 -6.256 6.139 1.00 0.00 N ATOM 811 CA LYS A 57 81.806 -7.362 6.518 1.00 0.00 C ATOM 812 C LYS A 57 82.441 -8.649 5.972 1.00 0.00 C ATOM 813 O LYS A 57 82.248 -9.001 4.824 1.00 0.00 O ATOM 814 CB LYS A 57 80.434 -7.064 5.881 1.00 0.00 C ATOM 815 CG LYS A 57 79.399 -8.130 6.309 1.00 0.00 C ATOM 816 CD LYS A 57 78.025 -7.913 5.613 1.00 0.00 C ATOM 817 CE LYS A 57 77.353 -6.577 6.022 1.00 0.00 C ATOM 818 NZ LYS A 57 78.049 -5.407 5.411 1.00 0.00 N ATOM 0 H LYS A 57 82.522 -5.819 5.241 1.00 0.00 H new ATOM 0 HA LYS A 57 81.655 -7.464 7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.093 -6.074 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.525 -7.052 4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 57 79.777 -9.123 6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 57 79.268 -8.096 7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 57 78.163 -7.930 4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 57 77.361 -8.741 5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 57 76.308 -6.584 5.711 1.00 0.00 H new ATOM 0 HE3 LYS A 57 77.362 -6.481 7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 77.349 -4.781 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 78.561 -4.883 6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 78.723 -5.740 4.692 1.00 0.00 H new ATOM 832 N ASN A 58 83.188 -9.295 6.835 1.00 0.00 N ATOM 833 CA ASN A 58 83.903 -10.574 6.507 1.00 0.00 C ATOM 834 C ASN A 58 84.994 -10.338 5.440 1.00 0.00 C ATOM 835 O ASN A 58 85.055 -9.291 4.823 1.00 0.00 O ATOM 836 CB ASN A 58 82.870 -11.629 5.996 1.00 0.00 C ATOM 837 CG ASN A 58 83.559 -12.986 5.792 1.00 0.00 C ATOM 838 OD1 ASN A 58 83.830 -13.399 4.683 1.00 0.00 O ATOM 839 ND2 ASN A 58 83.861 -13.705 6.837 1.00 0.00 N ATOM 0 H ASN A 58 83.338 -8.976 7.792 1.00 0.00 H new ATOM 0 HA ASN A 58 84.389 -10.946 7.409 1.00 0.00 H new ATOM 0 HB2 ASN A 58 82.056 -11.730 6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 58 82.428 -11.292 5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 58 84.322 -14.607 6.719 1.00 0.00 H new ATOM 0 HD22 ASN A 58 83.637 -13.365 7.772 1.00 0.00 H new ATOM 846 N ASP A 59 85.826 -11.333 5.265 1.00 0.00 N ATOM 847 CA ASP A 59 86.935 -11.252 4.266 1.00 0.00 C ATOM 848 C ASP A 59 86.411 -11.176 2.828 1.00 0.00 C ATOM 849 O ASP A 59 85.252 -11.445 2.576 1.00 0.00 O ATOM 850 CB ASP A 59 87.829 -12.490 4.432 1.00 0.00 C ATOM 851 CG ASP A 59 88.437 -12.470 5.843 1.00 0.00 C ATOM 852 OD1 ASP A 59 87.787 -13.013 6.723 1.00 0.00 O ATOM 853 OD2 ASP A 59 89.516 -11.910 5.960 1.00 0.00 O ATOM 0 H ASP A 59 85.783 -12.212 5.780 1.00 0.00 H new ATOM 0 HA ASP A 59 87.501 -10.338 4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 59 87.247 -13.400 4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 59 88.618 -12.490 3.680 1.00 0.00 H new ATOM 858 N ARG A 60 87.293 -10.807 1.931 1.00 0.00 N ATOM 859 CA ARG A 60 86.923 -10.689 0.488 1.00 0.00 C ATOM 860 C ARG A 60 86.341 -12.010 -0.044 1.00 0.00 C ATOM 861 O ARG A 60 86.959 -13.054 0.038 1.00 0.00 O ATOM 862 CB ARG A 60 88.193 -10.274 -0.341 1.00 0.00 C ATOM 863 CG ARG A 60 89.314 -11.357 -0.445 1.00 0.00 C ATOM 864 CD ARG A 60 89.944 -11.687 0.920 1.00 0.00 C ATOM 865 NE ARG A 60 91.003 -12.724 0.714 1.00 0.00 N ATOM 866 CZ ARG A 60 90.724 -14.005 0.700 1.00 0.00 C ATOM 867 NH1 ARG A 60 89.497 -14.426 0.864 1.00 0.00 N ATOM 868 NH2 ARG A 60 91.706 -14.843 0.515 1.00 0.00 N ATOM 0 H ARG A 60 88.265 -10.580 2.141 1.00 0.00 H new ATOM 0 HA ARG A 60 86.154 -9.924 0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 60 87.876 -10.007 -1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 60 88.620 -9.377 0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 60 88.897 -12.266 -0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 60 90.091 -11.007 -1.125 1.00 0.00 H new ATOM 0 HD2 ARG A 60 90.373 -10.790 1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 60 89.184 -12.053 1.610 1.00 0.00 H new ATOM 0 HE ARG A 60 91.969 -12.426 0.581 1.00 0.00 H new ATOM 0 HH11 ARG A 60 88.742 -13.755 1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 60 89.295 -15.426 0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 60 92.656 -14.495 0.387 1.00 0.00 H new ATOM 0 HH22 ARG A 60 91.524 -15.846 0.499 1.00 0.00 H new ATOM 882 N ILE A 61 85.147 -11.909 -0.569 1.00 0.00 N ATOM 883 CA ILE A 61 84.439 -13.093 -1.132 1.00 0.00 C ATOM 884 C ILE A 61 84.810 -13.198 -2.620 1.00 0.00 C ATOM 885 O ILE A 61 84.472 -12.339 -3.411 1.00 0.00 O ATOM 886 CB ILE A 61 82.893 -12.871 -0.896 1.00 0.00 C ATOM 887 CG1 ILE A 61 81.974 -14.075 -1.334 1.00 0.00 C ATOM 888 CG2 ILE A 61 82.378 -11.553 -1.517 1.00 0.00 C ATOM 889 CD1 ILE A 61 82.355 -14.688 -2.678 1.00 0.00 C ATOM 0 H ILE A 61 84.624 -11.036 -0.631 1.00 0.00 H new ATOM 0 HA ILE A 61 84.723 -14.031 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 61 82.811 -12.804 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 61 82.017 -14.849 -0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 61 80.941 -13.731 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 61 81.310 -11.453 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 61 82.908 -10.710 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 61 82.553 -11.565 -2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.677 -15.509 -2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 61 82.284 -13.929 -3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 61 83.377 -15.064 -2.630 1.00 0.00 H new ATOM 901 N CYS A 62 85.509 -14.255 -2.956 1.00 0.00 N ATOM 902 CA CYS A 62 85.922 -14.476 -4.360 1.00 0.00 C ATOM 903 C CYS A 62 85.793 -15.952 -4.770 1.00 0.00 C ATOM 904 O CYS A 62 86.703 -16.582 -5.276 1.00 0.00 O ATOM 905 CB CYS A 62 87.349 -13.950 -4.482 1.00 0.00 C ATOM 906 SG CYS A 62 87.408 -12.206 -4.954 1.00 0.00 S ATOM 0 H CYS A 62 85.810 -14.978 -2.302 1.00 0.00 H new ATOM 0 HA CYS A 62 85.267 -13.943 -5.049 1.00 0.00 H new ATOM 0 HB2 CYS A 62 87.864 -14.083 -3.531 1.00 0.00 H new ATOM 0 HB3 CYS A 62 87.888 -14.541 -5.222 1.00 0.00 H new ATOM 911 N THR A 63 84.607 -16.440 -4.517 1.00 0.00 N ATOM 912 CA THR A 63 84.213 -17.838 -4.814 1.00 0.00 C ATOM 913 C THR A 63 83.624 -17.894 -6.235 1.00 0.00 C ATOM 914 O THR A 63 83.349 -16.870 -6.830 1.00 0.00 O ATOM 915 CB THR A 63 83.195 -18.218 -3.737 1.00 0.00 C ATOM 916 OG1 THR A 63 83.894 -18.074 -2.508 1.00 0.00 O ATOM 917 CG2 THR A 63 82.819 -19.682 -3.782 1.00 0.00 C ATOM 0 H THR A 63 83.860 -15.889 -4.093 1.00 0.00 H new ATOM 0 HA THR A 63 85.047 -18.540 -4.794 1.00 0.00 H new ATOM 0 HB THR A 63 82.300 -17.609 -3.866 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.298 -18.301 -1.764 1.00 0.00 H new ATOM 0 HG21 THR A 63 82.094 -19.896 -2.996 1.00 0.00 H new ATOM 0 HG22 THR A 63 82.381 -19.916 -4.753 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.710 -20.291 -3.630 1.00 0.00 H new ATOM 925 N ASN A 64 83.453 -19.095 -6.728 1.00 0.00 N ATOM 926 CA ASN A 64 82.885 -19.309 -8.097 1.00 0.00 C ATOM 927 C ASN A 64 82.182 -20.674 -8.169 1.00 0.00 C ATOM 928 O ASN A 64 82.188 -21.422 -7.209 1.00 0.00 O ATOM 929 CB ASN A 64 84.037 -19.225 -9.131 1.00 0.00 C ATOM 930 CG ASN A 64 85.165 -20.236 -8.862 1.00 0.00 C ATOM 931 OD1 ASN A 64 85.138 -21.010 -7.926 1.00 0.00 O ATOM 932 ND2 ASN A 64 86.186 -20.253 -9.676 1.00 0.00 N ATOM 0 H ASN A 64 83.688 -19.954 -6.230 1.00 0.00 H new ATOM 0 HA ASN A 64 82.145 -18.540 -8.320 1.00 0.00 H new ATOM 0 HB2 ASN A 64 83.634 -19.396 -10.129 1.00 0.00 H new ATOM 0 HB3 ASN A 64 84.451 -18.217 -9.123 1.00 0.00 H new ATOM 0 HD21 ASN A 64 86.950 -20.911 -9.522 1.00 0.00 H new ATOM 0 HD22 ASN A 64 86.220 -19.608 -10.465 1.00 0.00 H new ATOM 939 N CYS A 65 81.598 -20.963 -9.307 1.00 0.00 N ATOM 940 CA CYS A 65 80.882 -22.269 -9.474 1.00 0.00 C ATOM 941 C CYS A 65 81.841 -23.475 -9.600 1.00 0.00 C ATOM 942 O CYS A 65 81.419 -24.604 -9.769 1.00 0.00 O ATOM 943 CB CYS A 65 79.985 -22.178 -10.723 1.00 0.00 C ATOM 944 SG CYS A 65 78.618 -23.357 -10.659 1.00 0.00 S ATOM 0 H CYS A 65 81.586 -20.354 -10.125 1.00 0.00 H new ATOM 0 HA CYS A 65 80.289 -22.442 -8.576 1.00 0.00 H new ATOM 0 HB2 CYS A 65 79.588 -21.167 -10.812 1.00 0.00 H new ATOM 0 HB3 CYS A 65 80.584 -22.365 -11.614 1.00 0.00 H new ATOM 949 N CYS A 66 83.112 -23.175 -9.519 1.00 0.00 N ATOM 950 CA CYS A 66 84.189 -24.209 -9.612 1.00 0.00 C ATOM 951 C CYS A 66 84.557 -24.731 -8.218 1.00 0.00 C ATOM 952 O CYS A 66 84.862 -25.892 -8.033 1.00 0.00 O ATOM 953 CB CYS A 66 85.403 -23.584 -10.235 1.00 0.00 C ATOM 954 SG CYS A 66 86.784 -24.682 -10.632 1.00 0.00 S ATOM 0 H CYS A 66 83.459 -22.225 -9.388 1.00 0.00 H new ATOM 0 HA CYS A 66 83.832 -25.043 -10.216 1.00 0.00 H new ATOM 0 HB2 CYS A 66 85.093 -23.085 -11.153 1.00 0.00 H new ATOM 0 HB3 CYS A 66 85.769 -22.811 -9.560 1.00 0.00 H new ATOM 959 N ALA A 67 84.512 -23.795 -7.306 1.00 0.00 N ATOM 960 CA ALA A 67 84.825 -23.999 -5.853 1.00 0.00 C ATOM 961 C ALA A 67 83.763 -24.816 -5.087 1.00 0.00 C ATOM 962 O ALA A 67 83.164 -24.372 -4.126 1.00 0.00 O ATOM 963 CB ALA A 67 84.995 -22.604 -5.218 1.00 0.00 C ATOM 0 H ALA A 67 84.254 -22.833 -7.525 1.00 0.00 H new ATOM 0 HA ALA A 67 85.737 -24.592 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 67 85.224 -22.712 -4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 67 85.810 -22.076 -5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 67 84.071 -22.037 -5.333 1.00 0.00 H new ATOM 969 N GLY A 68 83.582 -26.010 -5.576 1.00 0.00 N ATOM 970 CA GLY A 68 82.617 -26.990 -5.011 1.00 0.00 C ATOM 971 C GLY A 68 82.798 -28.315 -5.762 1.00 0.00 C ATOM 972 O GLY A 68 83.885 -28.612 -6.220 1.00 0.00 O ATOM 0 H GLY A 68 84.092 -26.361 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 68 82.794 -27.129 -3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 68 81.595 -26.626 -5.120 1.00 0.00 H new ATOM 976 N THR A 69 81.734 -29.071 -5.867 1.00 0.00 N ATOM 977 CA THR A 69 81.796 -30.390 -6.582 1.00 0.00 C ATOM 978 C THR A 69 80.477 -30.692 -7.305 1.00 0.00 C ATOM 979 O THR A 69 79.450 -30.154 -6.935 1.00 0.00 O ATOM 980 CB THR A 69 82.076 -31.538 -5.574 1.00 0.00 C ATOM 981 OG1 THR A 69 81.026 -31.461 -4.618 1.00 0.00 O ATOM 982 CG2 THR A 69 83.363 -31.316 -4.759 1.00 0.00 C ATOM 0 H THR A 69 80.818 -28.833 -5.487 1.00 0.00 H new ATOM 0 HA THR A 69 82.602 -30.326 -7.313 1.00 0.00 H new ATOM 0 HB THR A 69 82.158 -32.474 -6.126 1.00 0.00 H new ATOM 0 HG1 THR A 69 81.142 -32.166 -3.947 1.00 0.00 H new ATOM 0 HG21 THR A 69 83.507 -32.150 -4.072 1.00 0.00 H new ATOM 0 HG22 THR A 69 84.215 -31.252 -5.435 1.00 0.00 H new ATOM 0 HG23 THR A 69 83.279 -30.389 -4.192 1.00 0.00 H new ATOM 990 N LYS A 70 80.568 -31.545 -8.305 1.00 0.00 N ATOM 991 CA LYS A 70 79.387 -31.977 -9.136 1.00 0.00 C ATOM 992 C LYS A 70 78.405 -32.898 -8.383 1.00 0.00 C ATOM 993 O LYS A 70 77.785 -33.780 -8.946 1.00 0.00 O ATOM 994 CB LYS A 70 79.916 -32.704 -10.406 1.00 0.00 C ATOM 995 CG LYS A 70 80.469 -31.696 -11.432 1.00 0.00 C ATOM 996 CD LYS A 70 81.184 -32.428 -12.588 1.00 0.00 C ATOM 997 CE LYS A 70 80.210 -33.312 -13.388 1.00 0.00 C ATOM 998 NZ LYS A 70 80.945 -33.991 -14.490 1.00 0.00 N ATOM 0 H LYS A 70 81.447 -31.976 -8.590 1.00 0.00 H new ATOM 0 HA LYS A 70 78.825 -31.079 -9.394 1.00 0.00 H new ATOM 0 HB2 LYS A 70 80.699 -33.409 -10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 70 79.112 -33.284 -10.858 1.00 0.00 H new ATOM 0 HG2 LYS A 70 79.655 -31.089 -11.828 1.00 0.00 H new ATOM 0 HG3 LYS A 70 81.164 -31.015 -10.941 1.00 0.00 H new ATOM 0 HD2 LYS A 70 81.643 -31.697 -13.254 1.00 0.00 H new ATOM 0 HD3 LYS A 70 81.989 -33.044 -12.187 1.00 0.00 H new ATOM 0 HE2 LYS A 70 79.752 -34.052 -12.732 1.00 0.00 H new ATOM 0 HE3 LYS A 70 79.402 -32.704 -13.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 80.283 -34.575 -15.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 81.376 -33.277 -15.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 81.690 -34.596 -14.089 1.00 0.00 H new ATOM 1012 N GLY A 71 78.308 -32.641 -7.111 1.00 0.00 N ATOM 1013 CA GLY A 71 77.422 -33.394 -6.186 1.00 0.00 C ATOM 1014 C GLY A 71 76.727 -32.383 -5.265 1.00 0.00 C ATOM 1015 O GLY A 71 76.161 -32.769 -4.261 1.00 0.00 O ATOM 0 H GLY A 71 78.837 -31.899 -6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 71 76.684 -33.967 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 71 78.001 -34.107 -5.600 1.00 0.00 H new ATOM 1019 N CYS A 72 76.794 -31.122 -5.630 1.00 0.00 N ATOM 1020 CA CYS A 72 76.151 -30.047 -4.812 1.00 0.00 C ATOM 1021 C CYS A 72 75.496 -28.992 -5.709 1.00 0.00 C ATOM 1022 O CYS A 72 75.618 -29.055 -6.918 1.00 0.00 O ATOM 1023 CB CYS A 72 77.230 -29.421 -3.919 1.00 0.00 C ATOM 1024 SG CYS A 72 77.886 -30.499 -2.620 1.00 0.00 S ATOM 0 H CYS A 72 77.272 -30.791 -6.468 1.00 0.00 H new ATOM 0 HA CYS A 72 75.359 -30.471 -4.195 1.00 0.00 H new ATOM 0 HB2 CYS A 72 78.057 -29.097 -4.551 1.00 0.00 H new ATOM 0 HB3 CYS A 72 76.817 -28.527 -3.451 1.00 0.00 H new ATOM 1029 N LYS A 73 74.818 -28.054 -5.088 1.00 0.00 N ATOM 1030 CA LYS A 73 74.127 -26.971 -5.856 1.00 0.00 C ATOM 1031 C LYS A 73 74.467 -25.598 -5.262 1.00 0.00 C ATOM 1032 O LYS A 73 73.973 -25.265 -4.202 1.00 0.00 O ATOM 1033 CB LYS A 73 72.598 -27.213 -5.787 1.00 0.00 C ATOM 1034 CG LYS A 73 72.249 -28.650 -6.256 1.00 0.00 C ATOM 1035 CD LYS A 73 70.723 -28.910 -6.129 1.00 0.00 C ATOM 1036 CE LYS A 73 70.274 -28.991 -4.648 1.00 0.00 C ATOM 1037 NZ LYS A 73 70.909 -30.158 -3.970 1.00 0.00 N ATOM 0 H LYS A 73 74.714 -27.993 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 73 74.460 -26.988 -6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 73 72.247 -27.063 -4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 73 72.081 -26.485 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 73 72.562 -28.787 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 73 72.798 -29.377 -5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 73 70.175 -28.113 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 73 70.469 -29.840 -6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 73 70.544 -28.071 -4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 73 69.189 -29.079 -4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 70.212 -30.623 -3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 71.245 -30.834 -4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 71.713 -29.831 -3.397 1.00 0.00 H new ATOM 1051 N TYR A 74 75.291 -24.837 -5.944 1.00 0.00 N ATOM 1052 CA TYR A 74 75.666 -23.479 -5.426 1.00 0.00 C ATOM 1053 C TYR A 74 74.403 -22.645 -5.193 1.00 0.00 C ATOM 1054 O TYR A 74 73.492 -22.655 -6.001 1.00 0.00 O ATOM 1055 CB TYR A 74 76.546 -22.750 -6.428 1.00 0.00 C ATOM 1056 CG TYR A 74 77.897 -23.462 -6.602 1.00 0.00 C ATOM 1057 CD1 TYR A 74 78.957 -23.215 -5.748 1.00 0.00 C ATOM 1058 CD2 TYR A 74 78.076 -24.348 -7.640 1.00 0.00 C ATOM 1059 CE1 TYR A 74 80.170 -23.843 -5.937 1.00 0.00 C ATOM 1060 CE2 TYR A 74 79.283 -24.971 -7.826 1.00 0.00 C ATOM 1061 CZ TYR A 74 80.340 -24.726 -6.981 1.00 0.00 C ATOM 1062 OH TYR A 74 81.548 -25.355 -7.191 1.00 0.00 O ATOM 0 H TYR A 74 75.719 -25.095 -6.833 1.00 0.00 H new ATOM 0 HA TYR A 74 76.210 -23.610 -4.491 1.00 0.00 H new ATOM 0 HB2 TYR A 74 76.036 -22.692 -7.390 1.00 0.00 H new ATOM 0 HB3 TYR A 74 76.712 -21.726 -6.093 1.00 0.00 H new ATOM 0 HD1 TYR A 74 78.833 -22.525 -4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 74 77.258 -24.554 -8.314 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.990 -23.642 -5.264 1.00 0.00 H new ATOM 0 HE2 TYR A 74 79.405 -25.663 -8.646 1.00 0.00 H new ATOM 0 HH TYR A 74 81.659 -25.540 -8.147 1.00 0.00 H new ATOM 1072 N PHE A 75 74.410 -21.946 -4.088 1.00 0.00 N ATOM 1073 CA PHE A 75 73.256 -21.084 -3.703 1.00 0.00 C ATOM 1074 C PHE A 75 73.711 -19.784 -3.025 1.00 0.00 C ATOM 1075 O PHE A 75 74.829 -19.664 -2.562 1.00 0.00 O ATOM 1076 CB PHE A 75 72.373 -21.968 -2.797 1.00 0.00 C ATOM 1077 CG PHE A 75 71.313 -21.194 -2.010 1.00 0.00 C ATOM 1078 CD1 PHE A 75 71.646 -20.612 -0.804 1.00 0.00 C ATOM 1079 CD2 PHE A 75 70.022 -21.079 -2.487 1.00 0.00 C ATOM 1080 CE1 PHE A 75 70.699 -19.923 -0.085 1.00 0.00 C ATOM 1081 CE2 PHE A 75 69.073 -20.390 -1.768 1.00 0.00 C ATOM 1082 CZ PHE A 75 69.414 -19.810 -0.563 1.00 0.00 C ATOM 0 H PHE A 75 75.184 -21.937 -3.424 1.00 0.00 H new ATOM 0 HA PHE A 75 72.694 -20.741 -4.572 1.00 0.00 H new ATOM 0 HB2 PHE A 75 71.877 -22.719 -3.412 1.00 0.00 H new ATOM 0 HB3 PHE A 75 73.013 -22.503 -2.095 1.00 0.00 H new ATOM 0 HD1 PHE A 75 72.653 -20.698 -0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 75 69.756 -21.533 -3.430 1.00 0.00 H new ATOM 0 HE1 PHE A 75 70.964 -19.469 0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 75 68.065 -20.303 -2.145 1.00 0.00 H new ATOM 0 HZ PHE A 75 68.672 -19.268 0.005 1.00 0.00 H new ATOM 1092 N SER A 76 72.784 -18.860 -3.007 1.00 0.00 N ATOM 1093 CA SER A 76 73.014 -17.508 -2.399 1.00 0.00 C ATOM 1094 C SER A 76 72.065 -17.142 -1.244 1.00 0.00 C ATOM 1095 O SER A 76 70.873 -17.386 -1.276 1.00 0.00 O ATOM 1096 CB SER A 76 72.881 -16.456 -3.503 1.00 0.00 C ATOM 1097 OG SER A 76 73.112 -15.207 -2.862 1.00 0.00 O ATOM 0 H SER A 76 71.851 -18.988 -3.399 1.00 0.00 H new ATOM 0 HA SER A 76 74.012 -17.536 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A 76 73.604 -16.629 -4.300 1.00 0.00 H new ATOM 0 HB3 SER A 76 71.891 -16.487 -3.959 1.00 0.00 H new ATOM 0 HG SER A 76 73.847 -14.740 -3.311 1.00 0.00 H new ATOM 1103 N ASP A 77 72.705 -16.536 -0.275 1.00 0.00 N ATOM 1104 CA ASP A 77 72.098 -16.040 1.004 1.00 0.00 C ATOM 1105 C ASP A 77 70.828 -15.210 0.810 1.00 0.00 C ATOM 1106 O ASP A 77 69.974 -15.171 1.674 1.00 0.00 O ATOM 1107 CB ASP A 77 73.152 -15.192 1.738 1.00 0.00 C ATOM 1108 CG ASP A 77 73.654 -14.087 0.779 1.00 0.00 C ATOM 1109 OD1 ASP A 77 74.581 -14.378 0.039 1.00 0.00 O ATOM 1110 OD2 ASP A 77 73.078 -13.012 0.839 1.00 0.00 O ATOM 0 H ASP A 77 73.707 -16.351 -0.327 1.00 0.00 H new ATOM 0 HA ASP A 77 71.801 -16.916 1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 77 72.721 -14.747 2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 77 73.983 -15.819 2.061 1.00 0.00 H new ATOM 1115 N ASP A 78 70.756 -14.570 -0.328 1.00 0.00 N ATOM 1116 CA ASP A 78 69.579 -13.713 -0.675 1.00 0.00 C ATOM 1117 C ASP A 78 68.268 -14.521 -0.721 1.00 0.00 C ATOM 1118 O ASP A 78 67.202 -13.964 -0.896 1.00 0.00 O ATOM 1119 CB ASP A 78 69.869 -13.048 -2.047 1.00 0.00 C ATOM 1120 CG ASP A 78 70.307 -14.068 -3.128 1.00 0.00 C ATOM 1121 OD1 ASP A 78 69.998 -15.240 -2.989 1.00 0.00 O ATOM 1122 OD2 ASP A 78 70.945 -13.606 -4.060 1.00 0.00 O ATOM 0 H ASP A 78 71.478 -14.605 -1.048 1.00 0.00 H new ATOM 0 HA ASP A 78 69.441 -12.956 0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 78 68.976 -12.525 -2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 78 70.650 -12.298 -1.924 1.00 0.00 H new ATOM 1127 N GLY A 79 68.404 -15.814 -0.562 1.00 0.00 N ATOM 1128 CA GLY A 79 67.231 -16.736 -0.579 1.00 0.00 C ATOM 1129 C GLY A 79 66.973 -17.202 -2.010 1.00 0.00 C ATOM 1130 O GLY A 79 65.846 -17.493 -2.362 1.00 0.00 O ATOM 0 H GLY A 79 69.301 -16.278 -0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 79 67.420 -17.594 0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 79 66.350 -16.229 -0.186 1.00 0.00 H new ATOM 1134 N THR A 80 68.025 -17.258 -2.790 1.00 0.00 N ATOM 1135 CA THR A 80 67.901 -17.694 -4.210 1.00 0.00 C ATOM 1136 C THR A 80 69.103 -18.545 -4.630 1.00 0.00 C ATOM 1137 O THR A 80 70.201 -18.377 -4.138 1.00 0.00 O ATOM 1138 CB THR A 80 67.810 -16.439 -5.081 1.00 0.00 C ATOM 1139 OG1 THR A 80 66.665 -15.742 -4.608 1.00 0.00 O ATOM 1140 CG2 THR A 80 67.482 -16.759 -6.552 1.00 0.00 C ATOM 0 H THR A 80 68.972 -17.017 -2.498 1.00 0.00 H new ATOM 0 HA THR A 80 67.009 -18.308 -4.331 1.00 0.00 H new ATOM 0 HB THR A 80 68.760 -15.907 -5.029 1.00 0.00 H new ATOM 0 HG1 THR A 80 66.546 -14.918 -5.126 1.00 0.00 H new ATOM 0 HG21 THR A 80 67.430 -15.832 -7.123 1.00 0.00 H new ATOM 0 HG22 THR A 80 68.261 -17.398 -6.968 1.00 0.00 H new ATOM 0 HG23 THR A 80 66.523 -17.274 -6.607 1.00 0.00 H new ATOM 1148 N PHE A 81 68.820 -19.434 -5.545 1.00 0.00 N ATOM 1149 CA PHE A 81 69.833 -20.375 -6.114 1.00 0.00 C ATOM 1150 C PHE A 81 70.876 -19.606 -6.947 1.00 0.00 C ATOM 1151 O PHE A 81 70.663 -18.462 -7.299 1.00 0.00 O ATOM 1152 CB PHE A 81 69.030 -21.393 -6.943 1.00 0.00 C ATOM 1153 CG PHE A 81 69.897 -22.227 -7.900 1.00 0.00 C ATOM 1154 CD1 PHE A 81 70.520 -23.378 -7.485 1.00 0.00 C ATOM 1155 CD2 PHE A 81 70.056 -21.833 -9.206 1.00 0.00 C ATOM 1156 CE1 PHE A 81 71.285 -24.124 -8.358 1.00 0.00 C ATOM 1157 CE2 PHE A 81 70.817 -22.567 -10.089 1.00 0.00 C ATOM 1158 CZ PHE A 81 71.461 -23.744 -9.695 1.00 0.00 C ATOM 0 H PHE A 81 67.886 -19.551 -5.938 1.00 0.00 H new ATOM 0 HA PHE A 81 70.408 -20.889 -5.344 1.00 0.00 H new ATOM 0 HB2 PHE A 81 68.502 -22.064 -6.266 1.00 0.00 H new ATOM 0 HB3 PHE A 81 68.273 -20.862 -7.521 1.00 0.00 H new ATOM 0 HD1 PHE A 81 70.410 -23.704 -6.461 1.00 0.00 H new ATOM 0 HD2 PHE A 81 69.574 -20.929 -9.548 1.00 0.00 H new ATOM 0 HE1 PHE A 81 71.761 -25.025 -8.001 1.00 0.00 H new ATOM 0 HE2 PHE A 81 70.919 -22.226 -11.109 1.00 0.00 H new ATOM 0 HZ PHE A 81 72.059 -24.326 -10.381 1.00 0.00 H new ATOM 1168 N VAL A 82 71.970 -20.269 -7.229 1.00 0.00 N ATOM 1169 CA VAL A 82 73.074 -19.647 -8.030 1.00 0.00 C ATOM 1170 C VAL A 82 73.444 -20.522 -9.236 1.00 0.00 C ATOM 1171 O VAL A 82 73.145 -20.166 -10.359 1.00 0.00 O ATOM 1172 CB VAL A 82 74.283 -19.444 -7.070 1.00 0.00 C ATOM 1173 CG1 VAL A 82 75.515 -18.909 -7.820 1.00 0.00 C ATOM 1174 CG2 VAL A 82 73.891 -18.401 -6.013 1.00 0.00 C ATOM 0 H VAL A 82 72.149 -21.229 -6.934 1.00 0.00 H new ATOM 0 HA VAL A 82 72.758 -18.688 -8.440 1.00 0.00 H new ATOM 0 HB VAL A 82 74.531 -20.407 -6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 82 76.340 -18.779 -7.119 1.00 0.00 H new ATOM 0 HG12 VAL A 82 75.806 -19.618 -8.595 1.00 0.00 H new ATOM 0 HG13 VAL A 82 75.274 -17.950 -8.278 1.00 0.00 H new ATOM 0 HG21 VAL A 82 74.726 -18.244 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 82 73.643 -17.460 -6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 82 73.026 -18.757 -5.454 1.00 0.00 H new ATOM 1184 N CYS A 83 74.077 -21.638 -8.973 1.00 0.00 N ATOM 1185 CA CYS A 83 74.489 -22.564 -10.078 1.00 0.00 C ATOM 1186 C CYS A 83 74.611 -23.984 -9.491 1.00 0.00 C ATOM 1187 O CYS A 83 74.249 -24.208 -8.352 1.00 0.00 O ATOM 1188 CB CYS A 83 75.845 -22.085 -10.642 1.00 0.00 C ATOM 1189 SG CYS A 83 77.248 -22.379 -9.544 1.00 0.00 S ATOM 0 H CYS A 83 74.328 -21.951 -8.035 1.00 0.00 H new ATOM 0 HA CYS A 83 73.757 -22.571 -10.886 1.00 0.00 H new ATOM 0 HB2 CYS A 83 76.029 -22.588 -11.591 1.00 0.00 H new ATOM 0 HB3 CYS A 83 75.781 -21.018 -10.854 1.00 0.00 H new ATOM 1194 N GLU A 84 75.116 -24.899 -10.279 1.00 0.00 N ATOM 1195 CA GLU A 84 75.283 -26.318 -9.820 1.00 0.00 C ATOM 1196 C GLU A 84 76.776 -26.669 -9.814 1.00 0.00 C ATOM 1197 O GLU A 84 77.572 -25.965 -10.399 1.00 0.00 O ATOM 1198 CB GLU A 84 74.462 -27.202 -10.799 1.00 0.00 C ATOM 1199 CG GLU A 84 74.365 -28.700 -10.358 1.00 0.00 C ATOM 1200 CD GLU A 84 75.650 -29.510 -10.647 1.00 0.00 C ATOM 1201 OE1 GLU A 84 76.151 -29.372 -11.751 1.00 0.00 O ATOM 1202 OE2 GLU A 84 76.062 -30.228 -9.748 1.00 0.00 O ATOM 0 H GLU A 84 75.425 -24.723 -11.235 1.00 0.00 H new ATOM 0 HA GLU A 84 74.920 -26.479 -8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 84 73.456 -26.792 -10.889 1.00 0.00 H new ATOM 0 HB3 GLU A 84 74.916 -27.152 -11.789 1.00 0.00 H new ATOM 0 HG2 GLU A 84 74.150 -28.743 -9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 84 73.526 -29.169 -10.872 1.00 0.00 H new ATOM 1209 N GLY A 85 77.118 -27.741 -9.146 1.00 0.00 N ATOM 1210 CA GLY A 85 78.538 -28.199 -9.066 1.00 0.00 C ATOM 1211 C GLY A 85 79.176 -28.254 -10.461 1.00 0.00 C ATOM 1212 O GLY A 85 78.837 -29.130 -11.229 1.00 0.00 O ATOM 0 H GLY A 85 76.457 -28.331 -8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 85 79.107 -27.523 -8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 85 78.581 -29.185 -8.603 1.00 0.00 H new ATOM 1216 N GLU A 86 80.066 -27.336 -10.755 1.00 0.00 N ATOM 1217 CA GLU A 86 80.733 -27.321 -12.099 1.00 0.00 C ATOM 1218 C GLU A 86 82.208 -27.745 -11.978 1.00 0.00 C ATOM 1219 O GLU A 86 83.068 -27.267 -12.693 1.00 0.00 O ATOM 1220 CB GLU A 86 80.593 -25.876 -12.693 1.00 0.00 C ATOM 1221 CG GLU A 86 79.470 -25.812 -13.770 1.00 0.00 C ATOM 1222 CD GLU A 86 78.065 -26.052 -13.180 1.00 0.00 C ATOM 1223 OE1 GLU A 86 77.734 -27.210 -12.982 1.00 0.00 O ATOM 1224 OE2 GLU A 86 77.390 -25.057 -12.959 1.00 0.00 O ATOM 0 H GLU A 86 80.361 -26.594 -10.121 1.00 0.00 H new ATOM 0 HA GLU A 86 80.256 -28.036 -12.769 1.00 0.00 H new ATOM 0 HB2 GLU A 86 80.371 -25.171 -11.892 1.00 0.00 H new ATOM 0 HB3 GLU A 86 81.541 -25.569 -13.135 1.00 0.00 H new ATOM 0 HG2 GLU A 86 79.494 -24.837 -14.256 1.00 0.00 H new ATOM 0 HG3 GLU A 86 79.668 -26.557 -14.540 1.00 0.00 H new ATOM 1231 N SER A 87 82.447 -28.647 -11.058 1.00 0.00 N ATOM 1232 CA SER A 87 83.831 -29.168 -10.819 1.00 0.00 C ATOM 1233 C SER A 87 83.717 -30.645 -10.429 1.00 0.00 C ATOM 1234 O SER A 87 83.093 -30.966 -9.438 1.00 0.00 O ATOM 1235 CB SER A 87 84.470 -28.345 -9.692 1.00 0.00 C ATOM 1236 OG SER A 87 85.757 -28.920 -9.511 1.00 0.00 O ATOM 0 H SER A 87 81.732 -29.051 -10.453 1.00 0.00 H new ATOM 0 HA SER A 87 84.455 -29.082 -11.708 1.00 0.00 H new ATOM 0 HB2 SER A 87 84.541 -27.291 -9.962 1.00 0.00 H new ATOM 0 HB3 SER A 87 83.879 -28.400 -8.778 1.00 0.00 H new ATOM 0 HG SER A 87 86.232 -28.441 -8.800 1.00 0.00 H new ATOM 1242 N ASP A 88 84.314 -31.509 -11.210 1.00 0.00 N ATOM 1243 CA ASP A 88 84.239 -32.967 -10.891 1.00 0.00 C ATOM 1244 C ASP A 88 85.280 -33.326 -9.806 1.00 0.00 C ATOM 1245 O ASP A 88 86.441 -33.003 -9.964 1.00 0.00 O ATOM 1246 CB ASP A 88 84.504 -33.763 -12.183 1.00 0.00 C ATOM 1247 CG ASP A 88 84.022 -35.210 -11.982 1.00 0.00 C ATOM 1248 OD1 ASP A 88 84.776 -35.963 -11.391 1.00 0.00 O ATOM 1249 OD2 ASP A 88 82.920 -35.481 -12.431 1.00 0.00 O ATOM 0 H ASP A 88 84.846 -31.271 -12.047 1.00 0.00 H new ATOM 0 HA ASP A 88 83.251 -33.217 -10.505 1.00 0.00 H new ATOM 0 HB2 ASP A 88 83.982 -33.304 -13.023 1.00 0.00 H new ATOM 0 HB3 ASP A 88 85.567 -33.749 -12.423 1.00 0.00 H new ATOM 1254 N PRO A 89 84.860 -33.978 -8.740 1.00 0.00 N ATOM 1255 CA PRO A 89 85.765 -34.327 -7.602 1.00 0.00 C ATOM 1256 C PRO A 89 86.964 -35.194 -8.030 1.00 0.00 C ATOM 1257 O PRO A 89 87.935 -35.292 -7.304 1.00 0.00 O ATOM 1258 CB PRO A 89 84.886 -35.042 -6.571 1.00 0.00 C ATOM 1259 CG PRO A 89 83.499 -35.239 -7.202 1.00 0.00 C ATOM 1260 CD PRO A 89 83.457 -34.450 -8.518 1.00 0.00 C ATOM 0 HA PRO A 89 86.218 -33.426 -7.188 1.00 0.00 H new ATOM 0 HB2 PRO A 89 85.322 -36.003 -6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 89 84.811 -34.453 -5.657 1.00 0.00 H new ATOM 0 HG2 PRO A 89 83.312 -36.297 -7.386 1.00 0.00 H new ATOM 0 HG3 PRO A 89 82.720 -34.891 -6.524 1.00 0.00 H new ATOM 0 HD2 PRO A 89 83.118 -35.078 -9.342 1.00 0.00 H new ATOM 0 HD3 PRO A 89 82.765 -33.610 -8.451 1.00 0.00 H new ATOM 1268 N ARG A 90 86.859 -35.796 -9.191 1.00 0.00 N ATOM 1269 CA ARG A 90 87.959 -36.665 -9.714 1.00 0.00 C ATOM 1270 C ARG A 90 89.258 -35.858 -9.863 1.00 0.00 C ATOM 1271 O ARG A 90 90.320 -36.349 -9.537 1.00 0.00 O ATOM 1272 CB ARG A 90 87.525 -37.243 -11.083 1.00 0.00 C ATOM 1273 CG ARG A 90 88.592 -38.197 -11.682 1.00 0.00 C ATOM 1274 CD ARG A 90 88.785 -39.434 -10.784 1.00 0.00 C ATOM 1275 NE ARG A 90 89.777 -40.339 -11.444 1.00 0.00 N ATOM 1276 CZ ARG A 90 90.145 -41.467 -10.888 1.00 0.00 C ATOM 1277 NH1 ARG A 90 89.653 -41.833 -9.734 1.00 0.00 N ATOM 1278 NH2 ARG A 90 91.014 -42.207 -11.520 1.00 0.00 N ATOM 0 H ARG A 90 86.048 -35.721 -9.805 1.00 0.00 H new ATOM 0 HA ARG A 90 88.148 -37.478 -9.013 1.00 0.00 H new ATOM 0 HB2 ARG A 90 86.584 -37.781 -10.966 1.00 0.00 H new ATOM 0 HB3 ARG A 90 87.340 -36.425 -11.779 1.00 0.00 H new ATOM 0 HG2 ARG A 90 88.287 -38.511 -12.680 1.00 0.00 H new ATOM 0 HG3 ARG A 90 89.539 -37.669 -11.790 1.00 0.00 H new ATOM 0 HD2 ARG A 90 89.140 -39.136 -9.797 1.00 0.00 H new ATOM 0 HD3 ARG A 90 87.836 -39.951 -10.639 1.00 0.00 H new ATOM 0 HE ARG A 90 90.175 -40.073 -12.345 1.00 0.00 H new ATOM 0 HH11 ARG A 90 88.975 -41.238 -9.257 1.00 0.00 H new ATOM 0 HH12 ARG A 90 89.947 -42.713 -9.310 1.00 0.00 H new ATOM 0 HH21 ARG A 90 91.386 -41.901 -12.419 1.00 0.00 H new ATOM 0 HH22 ARG A 90 91.322 -43.091 -11.115 1.00 0.00 H new ATOM 1292 N ASN A 91 89.120 -34.650 -10.353 1.00 0.00 N ATOM 1293 CA ASN A 91 90.300 -33.752 -10.551 1.00 0.00 C ATOM 1294 C ASN A 91 90.572 -32.884 -9.297 1.00 0.00 C ATOM 1295 O ASN A 91 89.720 -32.111 -8.906 1.00 0.00 O ATOM 1296 CB ASN A 91 90.035 -32.853 -11.793 1.00 0.00 C ATOM 1297 CG ASN A 91 88.635 -32.212 -11.760 1.00 0.00 C ATOM 1298 OD1 ASN A 91 88.358 -31.283 -11.029 1.00 0.00 O ATOM 1299 ND2 ASN A 91 87.713 -32.689 -12.549 1.00 0.00 N ATOM 0 H ASN A 91 88.226 -34.243 -10.628 1.00 0.00 H new ATOM 0 HA ASN A 91 91.189 -34.362 -10.714 1.00 0.00 H new ATOM 0 HB2 ASN A 91 90.791 -32.069 -11.839 1.00 0.00 H new ATOM 0 HB3 ASN A 91 90.138 -33.449 -12.700 1.00 0.00 H new ATOM 0 HD21 ASN A 91 86.778 -32.282 -12.545 1.00 0.00 H new ATOM 0 HD22 ASN A 91 87.927 -33.469 -13.170 1.00 0.00 H new ATOM 1306 N PRO A 92 91.734 -33.026 -8.690 1.00 0.00 N ATOM 1307 CA PRO A 92 92.249 -32.067 -7.666 1.00 0.00 C ATOM 1308 C PRO A 92 92.930 -30.867 -8.354 1.00 0.00 C ATOM 1309 O PRO A 92 93.968 -30.395 -7.930 1.00 0.00 O ATOM 1310 CB PRO A 92 93.198 -32.903 -6.813 1.00 0.00 C ATOM 1311 CG PRO A 92 93.699 -34.030 -7.737 1.00 0.00 C ATOM 1312 CD PRO A 92 92.700 -34.145 -8.910 1.00 0.00 C ATOM 0 HA PRO A 92 91.470 -31.622 -7.047 1.00 0.00 H new ATOM 0 HB2 PRO A 92 94.028 -32.300 -6.444 1.00 0.00 H new ATOM 0 HB3 PRO A 92 92.686 -33.309 -5.940 1.00 0.00 H new ATOM 0 HG2 PRO A 92 94.700 -33.807 -8.106 1.00 0.00 H new ATOM 0 HG3 PRO A 92 93.762 -34.972 -7.193 1.00 0.00 H new ATOM 0 HD2 PRO A 92 93.204 -34.051 -9.872 1.00 0.00 H new ATOM 0 HD3 PRO A 92 92.195 -35.111 -8.908 1.00 0.00 H new ATOM 1320 N LYS A 93 92.303 -30.416 -9.408 1.00 0.00 N ATOM 1321 CA LYS A 93 92.826 -29.257 -10.198 1.00 0.00 C ATOM 1322 C LYS A 93 92.664 -27.928 -9.451 1.00 0.00 C ATOM 1323 O LYS A 93 92.091 -27.881 -8.379 1.00 0.00 O ATOM 1324 CB LYS A 93 92.071 -29.230 -11.564 1.00 0.00 C ATOM 1325 CG LYS A 93 90.523 -29.212 -11.404 1.00 0.00 C ATOM 1326 CD LYS A 93 89.962 -27.809 -11.063 1.00 0.00 C ATOM 1327 CE LYS A 93 88.445 -27.920 -10.816 1.00 0.00 C ATOM 1328 NZ LYS A 93 87.742 -28.430 -12.028 1.00 0.00 N ATOM 0 H LYS A 93 91.432 -30.809 -9.764 1.00 0.00 H new ATOM 0 HA LYS A 93 93.897 -29.382 -10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 93 92.383 -28.351 -12.128 1.00 0.00 H new ATOM 0 HB3 LYS A 93 92.360 -30.103 -12.150 1.00 0.00 H new ATOM 0 HG2 LYS A 93 90.064 -29.565 -12.328 1.00 0.00 H new ATOM 0 HG3 LYS A 93 90.237 -29.912 -10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 93 90.459 -27.410 -10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 93 90.160 -27.116 -11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 93 88.258 -28.587 -9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 93 88.045 -26.943 -10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 86.757 -28.098 -12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 88.222 -28.079 -12.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 87.757 -29.470 -12.026 1.00 0.00 H new ATOM 1342 N ALA A 94 93.183 -26.890 -10.057 1.00 0.00 N ATOM 1343 CA ALA A 94 93.109 -25.520 -9.462 1.00 0.00 C ATOM 1344 C ALA A 94 92.034 -24.707 -10.191 1.00 0.00 C ATOM 1345 O ALA A 94 92.053 -24.606 -11.403 1.00 0.00 O ATOM 1346 CB ALA A 94 94.477 -24.843 -9.610 1.00 0.00 C ATOM 0 H ALA A 94 93.664 -26.935 -10.955 1.00 0.00 H new ATOM 0 HA ALA A 94 92.848 -25.581 -8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 94 94.436 -23.842 -9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 94 95.232 -25.431 -9.089 1.00 0.00 H new ATOM 0 HB3 ALA A 94 94.736 -24.773 -10.666 1.00 0.00 H new ATOM 1352 N CYS A 95 91.127 -24.152 -9.426 1.00 0.00 N ATOM 1353 CA CYS A 95 90.025 -23.331 -10.016 1.00 0.00 C ATOM 1354 C CYS A 95 90.496 -21.907 -10.358 1.00 0.00 C ATOM 1355 O CYS A 95 91.533 -21.484 -9.883 1.00 0.00 O ATOM 1356 CB CYS A 95 88.865 -23.275 -9.009 1.00 0.00 C ATOM 1357 SG CYS A 95 87.835 -24.757 -8.908 1.00 0.00 S ATOM 0 H CYS A 95 91.103 -24.233 -8.410 1.00 0.00 H new ATOM 0 HA CYS A 95 89.700 -23.796 -10.947 1.00 0.00 H new ATOM 0 HB2 CYS A 95 89.277 -23.074 -8.020 1.00 0.00 H new ATOM 0 HB3 CYS A 95 88.227 -22.429 -9.266 1.00 0.00 H new ATOM 1362 N PRO A 96 89.735 -21.203 -11.170 1.00 0.00 N ATOM 1363 CA PRO A 96 89.955 -19.750 -11.415 1.00 0.00 C ATOM 1364 C PRO A 96 89.625 -18.944 -10.152 1.00 0.00 C ATOM 1365 O PRO A 96 88.855 -19.374 -9.315 1.00 0.00 O ATOM 1366 CB PRO A 96 89.054 -19.385 -12.586 1.00 0.00 C ATOM 1367 CG PRO A 96 88.040 -20.531 -12.740 1.00 0.00 C ATOM 1368 CD PRO A 96 88.575 -21.737 -11.950 1.00 0.00 C ATOM 0 HA PRO A 96 90.994 -19.521 -11.653 1.00 0.00 H new ATOM 0 HB2 PRO A 96 88.544 -18.440 -12.401 1.00 0.00 H new ATOM 0 HB3 PRO A 96 89.637 -19.260 -13.498 1.00 0.00 H new ATOM 0 HG2 PRO A 96 87.062 -20.230 -12.363 1.00 0.00 H new ATOM 0 HG3 PRO A 96 87.911 -20.789 -13.791 1.00 0.00 H new ATOM 0 HD2 PRO A 96 87.811 -22.147 -11.290 1.00 0.00 H new ATOM 0 HD3 PRO A 96 88.885 -22.541 -12.618 1.00 0.00 H new ATOM 1376 N ARG A 97 90.232 -17.788 -10.067 1.00 0.00 N ATOM 1377 CA ARG A 97 90.022 -16.879 -8.898 1.00 0.00 C ATOM 1378 C ARG A 97 88.750 -16.034 -9.076 1.00 0.00 C ATOM 1379 O ARG A 97 88.570 -15.044 -8.392 1.00 0.00 O ATOM 1380 CB ARG A 97 91.276 -15.966 -8.759 1.00 0.00 C ATOM 1381 CG ARG A 97 92.429 -16.630 -7.944 1.00 0.00 C ATOM 1382 CD ARG A 97 92.995 -17.931 -8.576 1.00 0.00 C ATOM 1383 NE ARG A 97 92.010 -19.051 -8.443 1.00 0.00 N ATOM 1384 CZ ARG A 97 91.736 -19.618 -7.294 1.00 0.00 C ATOM 1385 NH1 ARG A 97 92.328 -19.226 -6.197 1.00 0.00 N ATOM 1386 NH2 ARG A 97 90.855 -20.581 -7.282 1.00 0.00 N ATOM 0 H ARG A 97 90.876 -17.429 -10.771 1.00 0.00 H new ATOM 0 HA ARG A 97 89.889 -17.471 -7.992 1.00 0.00 H new ATOM 0 HB2 ARG A 97 91.643 -15.709 -9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 97 90.987 -15.033 -8.275 1.00 0.00 H new ATOM 0 HG2 ARG A 97 93.241 -15.911 -7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 97 92.066 -16.856 -6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 97 93.222 -17.762 -9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 97 93.931 -18.202 -8.088 1.00 0.00 H new ATOM 0 HE ARG A 97 91.533 -19.386 -9.280 1.00 0.00 H new ATOM 0 HH11 ARG A 97 93.012 -18.470 -6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 97 92.106 -19.676 -5.309 1.00 0.00 H new ATOM 0 HH21 ARG A 97 90.404 -20.870 -8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 97 90.618 -21.044 -6.405 1.00 0.00 H new ATOM 1400 N ASN A 98 87.906 -16.456 -9.991 1.00 0.00 N ATOM 1401 CA ASN A 98 86.620 -15.733 -10.271 1.00 0.00 C ATOM 1402 C ASN A 98 85.895 -15.432 -8.950 1.00 0.00 C ATOM 1403 O ASN A 98 85.742 -16.307 -8.120 1.00 0.00 O ATOM 1404 CB ASN A 98 85.734 -16.616 -11.174 1.00 0.00 C ATOM 1405 CG ASN A 98 86.407 -16.860 -12.533 1.00 0.00 C ATOM 1406 OD1 ASN A 98 87.165 -16.053 -13.036 1.00 0.00 O ATOM 1407 ND2 ASN A 98 86.152 -17.972 -13.164 1.00 0.00 N ATOM 0 H ASN A 98 88.057 -17.285 -10.565 1.00 0.00 H new ATOM 0 HA ASN A 98 86.828 -14.790 -10.777 1.00 0.00 H new ATOM 0 HB2 ASN A 98 85.543 -17.570 -10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 98 84.767 -16.135 -11.324 1.00 0.00 H new ATOM 0 HD21 ASN A 98 86.586 -18.156 -14.068 1.00 0.00 H new ATOM 0 HD22 ASN A 98 85.518 -18.658 -12.753 1.00 0.00 H new ATOM 1414 N CYS A 99 85.478 -14.198 -8.808 1.00 0.00 N ATOM 1415 CA CYS A 99 84.765 -13.764 -7.568 1.00 0.00 C ATOM 1416 C CYS A 99 83.237 -13.708 -7.713 1.00 0.00 C ATOM 1417 O CYS A 99 82.729 -13.162 -8.674 1.00 0.00 O ATOM 1418 CB CYS A 99 85.330 -12.376 -7.180 1.00 0.00 C ATOM 1419 SG CYS A 99 87.126 -12.263 -6.954 1.00 0.00 S ATOM 0 H CYS A 99 85.603 -13.465 -9.507 1.00 0.00 H new ATOM 0 HA CYS A 99 84.942 -14.507 -6.790 1.00 0.00 H new ATOM 0 HB2 CYS A 99 85.038 -11.662 -7.950 1.00 0.00 H new ATOM 0 HB3 CYS A 99 84.850 -12.060 -6.254 1.00 0.00 H new ATOM 1424 N ASP A 100 82.558 -14.281 -6.743 1.00 0.00 N ATOM 1425 CA ASP A 100 81.058 -14.303 -6.744 1.00 0.00 C ATOM 1426 C ASP A 100 80.500 -13.808 -5.391 1.00 0.00 C ATOM 1427 O ASP A 100 80.053 -14.596 -4.582 1.00 0.00 O ATOM 1428 CB ASP A 100 80.592 -15.763 -7.042 1.00 0.00 C ATOM 1429 CG ASP A 100 79.053 -15.906 -7.196 1.00 0.00 C ATOM 1430 OD1 ASP A 100 78.323 -14.980 -6.872 1.00 0.00 O ATOM 1431 OD2 ASP A 100 78.683 -16.979 -7.644 1.00 0.00 O ATOM 0 H ASP A 100 82.987 -14.741 -5.940 1.00 0.00 H new ATOM 0 HA ASP A 100 80.677 -13.630 -7.512 1.00 0.00 H new ATOM 0 HB2 ASP A 100 81.074 -16.110 -7.956 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.930 -16.415 -6.236 1.00 0.00 H new ATOM 1436 N PRO A 101 80.530 -12.510 -5.177 1.00 0.00 N ATOM 1437 CA PRO A 101 79.950 -11.885 -3.950 1.00 0.00 C ATOM 1438 C PRO A 101 78.445 -12.168 -3.809 1.00 0.00 C ATOM 1439 O PRO A 101 77.875 -11.954 -2.756 1.00 0.00 O ATOM 1440 CB PRO A 101 80.241 -10.384 -4.066 1.00 0.00 C ATOM 1441 CG PRO A 101 80.970 -10.153 -5.402 1.00 0.00 C ATOM 1442 CD PRO A 101 81.131 -11.506 -6.107 1.00 0.00 C ATOM 0 HA PRO A 101 80.398 -12.306 -3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 101 79.315 -9.811 -4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 101 80.856 -10.048 -3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 101 80.404 -9.464 -6.029 1.00 0.00 H new ATOM 0 HG3 PRO A 101 81.945 -9.698 -5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 101 80.623 -11.510 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 101 82.181 -11.727 -6.299 1.00 0.00 H new ATOM 1450 N ARG A 102 77.856 -12.643 -4.877 1.00 0.00 N ATOM 1451 CA ARG A 102 76.399 -12.961 -4.887 1.00 0.00 C ATOM 1452 C ARG A 102 76.130 -14.412 -4.466 1.00 0.00 C ATOM 1453 O ARG A 102 75.065 -14.923 -4.743 1.00 0.00 O ATOM 1454 CB ARG A 102 75.853 -12.708 -6.311 1.00 0.00 C ATOM 1455 CG ARG A 102 76.066 -11.227 -6.700 1.00 0.00 C ATOM 1456 CD ARG A 102 75.500 -10.974 -8.114 1.00 0.00 C ATOM 1457 NE ARG A 102 74.036 -11.293 -8.121 1.00 0.00 N ATOM 1458 CZ ARG A 102 73.144 -10.480 -7.607 1.00 0.00 C ATOM 1459 NH1 ARG A 102 73.507 -9.347 -7.065 1.00 0.00 N ATOM 1460 NH2 ARG A 102 71.892 -10.837 -7.654 1.00 0.00 N ATOM 0 H ARG A 102 78.335 -12.827 -5.759 1.00 0.00 H new ATOM 0 HA ARG A 102 75.893 -12.320 -4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 102 76.360 -13.357 -7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 102 74.792 -12.955 -6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 102 75.572 -10.577 -5.978 1.00 0.00 H new ATOM 0 HG3 ARG A 102 77.128 -10.983 -6.674 1.00 0.00 H new ATOM 0 HD2 ARG A 102 75.660 -9.935 -8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 102 76.023 -11.592 -8.844 1.00 0.00 H new ATOM 0 HE ARG A 102 73.723 -12.170 -8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 102 74.493 -9.087 -7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 102 72.804 -8.723 -6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 102 71.631 -11.726 -8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 102 71.173 -10.228 -7.263 1.00 0.00 H new ATOM 1474 N ILE A 103 77.089 -15.032 -3.820 1.00 0.00 N ATOM 1475 CA ILE A 103 76.918 -16.456 -3.363 1.00 0.00 C ATOM 1476 C ILE A 103 76.960 -16.538 -1.820 1.00 0.00 C ATOM 1477 O ILE A 103 77.190 -15.548 -1.152 1.00 0.00 O ATOM 1478 CB ILE A 103 78.065 -17.288 -4.027 1.00 0.00 C ATOM 1479 CG1 ILE A 103 77.634 -18.778 -4.153 1.00 0.00 C ATOM 1480 CG2 ILE A 103 79.359 -17.223 -3.162 1.00 0.00 C ATOM 1481 CD1 ILE A 103 78.624 -19.540 -5.050 1.00 0.00 C ATOM 0 H ILE A 103 77.989 -14.613 -3.587 1.00 0.00 H new ATOM 0 HA ILE A 103 75.950 -16.856 -3.663 1.00 0.00 H new ATOM 0 HB ILE A 103 78.262 -16.867 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 103 77.597 -19.239 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 103 76.630 -18.840 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 103 80.146 -17.807 -3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 103 79.683 -16.186 -3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 103 79.155 -17.630 -2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 103 78.313 -20.582 -5.132 1.00 0.00 H new ATOM 0 HD12 ILE A 103 78.640 -19.087 -6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 103 79.622 -19.492 -4.614 1.00 0.00 H new ATOM 1493 N ALA A 104 76.732 -17.726 -1.315 1.00 0.00 N ATOM 1494 CA ALA A 104 76.743 -17.979 0.161 1.00 0.00 C ATOM 1495 C ALA A 104 77.283 -19.383 0.444 1.00 0.00 C ATOM 1496 O ALA A 104 78.305 -19.534 1.084 1.00 0.00 O ATOM 1497 CB ALA A 104 75.322 -17.850 0.703 1.00 0.00 C ATOM 0 H ALA A 104 76.534 -18.552 -1.879 1.00 0.00 H new ATOM 0 HA ALA A 104 77.387 -17.249 0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 104 75.324 -18.033 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 104 74.948 -16.845 0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 104 74.678 -18.579 0.212 1.00 0.00 H new ATOM 1503 N TYR A 105 76.572 -20.367 -0.044 1.00 0.00 N ATOM 1504 CA TYR A 105 76.981 -21.791 0.156 1.00 0.00 C ATOM 1505 C TYR A 105 76.296 -22.702 -0.854 1.00 0.00 C ATOM 1506 O TYR A 105 75.326 -22.329 -1.481 1.00 0.00 O ATOM 1507 CB TYR A 105 76.614 -22.255 1.584 1.00 0.00 C ATOM 1508 CG TYR A 105 75.150 -21.914 1.918 1.00 0.00 C ATOM 1509 CD1 TYR A 105 74.121 -22.766 1.564 1.00 0.00 C ATOM 1510 CD2 TYR A 105 74.845 -20.741 2.583 1.00 0.00 C ATOM 1511 CE1 TYR A 105 72.815 -22.447 1.871 1.00 0.00 C ATOM 1512 CE2 TYR A 105 73.538 -20.426 2.889 1.00 0.00 C ATOM 1513 CZ TYR A 105 72.514 -21.278 2.535 1.00 0.00 C ATOM 1514 OH TYR A 105 71.205 -20.968 2.840 1.00 0.00 O ATOM 0 H TYR A 105 75.713 -20.243 -0.580 1.00 0.00 H new ATOM 0 HA TYR A 105 78.060 -21.852 0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 105 76.769 -23.330 1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 105 77.276 -21.777 2.306 1.00 0.00 H new ATOM 0 HD1 TYR A 105 74.341 -23.687 1.044 1.00 0.00 H new ATOM 0 HD2 TYR A 105 75.638 -20.065 2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 105 72.020 -23.121 1.588 1.00 0.00 H new ATOM 0 HE2 TYR A 105 73.315 -19.506 3.409 1.00 0.00 H new ATOM 0 HH TYR A 105 70.729 -20.717 2.021 1.00 0.00 H new ATOM 1524 N GLY A 106 76.847 -23.881 -0.955 1.00 0.00 N ATOM 1525 CA GLY A 106 76.315 -24.907 -1.898 1.00 0.00 C ATOM 1526 C GLY A 106 75.407 -25.913 -1.195 1.00 0.00 C ATOM 1527 O GLY A 106 75.859 -26.690 -0.376 1.00 0.00 O ATOM 0 H GLY A 106 77.658 -24.182 -0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 106 75.760 -24.413 -2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 106 77.146 -25.434 -2.367 1.00 0.00 H new ATOM 1531 N ILE A 107 74.145 -25.863 -1.543 1.00 0.00 N ATOM 1532 CA ILE A 107 73.145 -26.791 -0.939 1.00 0.00 C ATOM 1533 C ILE A 107 73.298 -28.130 -1.668 1.00 0.00 C ATOM 1534 O ILE A 107 72.890 -28.271 -2.805 1.00 0.00 O ATOM 1535 CB ILE A 107 71.713 -26.217 -1.145 1.00 0.00 C ATOM 1536 CG1 ILE A 107 71.612 -24.853 -0.412 1.00 0.00 C ATOM 1537 CG2 ILE A 107 70.682 -27.218 -0.549 1.00 0.00 C ATOM 1538 CD1 ILE A 107 70.268 -24.160 -0.717 1.00 0.00 C ATOM 0 H ILE A 107 73.763 -25.211 -2.228 1.00 0.00 H new ATOM 0 HA ILE A 107 73.304 -26.915 0.132 1.00 0.00 H new ATOM 0 HB ILE A 107 71.507 -26.074 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 107 71.711 -25.005 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 107 72.436 -24.209 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 107 69.674 -26.827 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 107 70.772 -28.178 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 107 70.877 -27.351 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 107 70.223 -23.206 -0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 107 70.183 -23.987 -1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 107 69.447 -24.796 -0.386 1.00 0.00 H new ATOM 1550 N CYS A 108 73.893 -29.071 -0.983 1.00 0.00 N ATOM 1551 CA CYS A 108 74.103 -30.421 -1.580 1.00 0.00 C ATOM 1552 C CYS A 108 72.859 -31.279 -1.260 1.00 0.00 C ATOM 1553 O CYS A 108 72.341 -31.172 -0.166 1.00 0.00 O ATOM 1554 CB CYS A 108 75.374 -31.021 -0.960 1.00 0.00 C ATOM 1555 SG CYS A 108 76.854 -29.974 -0.964 1.00 0.00 S ATOM 0 H CYS A 108 74.244 -28.961 -0.032 1.00 0.00 H new ATOM 0 HA CYS A 108 74.230 -30.378 -2.662 1.00 0.00 H new ATOM 0 HB2 CYS A 108 75.153 -31.294 0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 108 75.609 -31.944 -1.491 1.00 0.00 H new ATOM 1560 N PRO A 109 72.406 -32.097 -2.190 1.00 0.00 N ATOM 1561 CA PRO A 109 71.162 -32.903 -2.010 1.00 0.00 C ATOM 1562 C PRO A 109 71.426 -34.012 -0.975 1.00 0.00 C ATOM 1563 O PRO A 109 71.793 -35.123 -1.310 1.00 0.00 O ATOM 1564 CB PRO A 109 70.819 -33.440 -3.406 1.00 0.00 C ATOM 1565 CG PRO A 109 72.064 -33.235 -4.287 1.00 0.00 C ATOM 1566 CD PRO A 109 73.047 -32.339 -3.517 1.00 0.00 C ATOM 0 HA PRO A 109 70.319 -32.330 -1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 109 70.551 -34.495 -3.358 1.00 0.00 H new ATOM 0 HB3 PRO A 109 69.961 -32.912 -3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 109 72.526 -34.194 -4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 109 71.788 -32.772 -5.235 1.00 0.00 H new ATOM 0 HD2 PRO A 109 74.016 -32.826 -3.403 1.00 0.00 H new ATOM 0 HD3 PRO A 109 73.222 -31.402 -4.046 1.00 0.00 H new ATOM 1574 N LEU A 110 71.225 -33.648 0.265 1.00 0.00 N ATOM 1575 CA LEU A 110 71.431 -34.588 1.409 1.00 0.00 C ATOM 1576 C LEU A 110 70.655 -34.046 2.614 1.00 0.00 C ATOM 1577 O LEU A 110 69.893 -34.759 3.238 1.00 0.00 O ATOM 1578 CB LEU A 110 72.948 -34.667 1.716 1.00 0.00 C ATOM 1579 CG LEU A 110 73.246 -35.567 2.953 1.00 0.00 C ATOM 1580 CD1 LEU A 110 72.802 -37.028 2.694 1.00 0.00 C ATOM 1581 CD2 LEU A 110 74.764 -35.544 3.237 1.00 0.00 C ATOM 0 H LEU A 110 70.919 -32.715 0.540 1.00 0.00 H new ATOM 0 HA LEU A 110 71.071 -35.590 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 110 73.474 -35.060 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 110 73.334 -33.664 1.896 1.00 0.00 H new ATOM 0 HG LEU A 110 72.691 -35.181 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 110 73.021 -37.636 3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 110 71.731 -37.053 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 110 73.341 -37.425 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 110 74.982 -36.171 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 110 75.302 -35.923 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 110 75.080 -34.521 3.442 1.00 0.00 H new ATOM 1593 N ALA A 111 70.885 -32.788 2.898 1.00 0.00 N ATOM 1594 CA ALA A 111 70.200 -32.118 4.047 1.00 0.00 C ATOM 1595 C ALA A 111 68.687 -31.988 3.785 1.00 0.00 C ATOM 1596 O ALA A 111 68.351 -31.696 2.648 1.00 0.00 O ATOM 1597 CB ALA A 111 70.823 -30.730 4.243 1.00 0.00 C ATOM 1598 OXT ALA A 111 67.952 -32.187 4.739 1.00 0.00 O ATOM 0 H ALA A 111 71.526 -32.190 2.377 1.00 0.00 H new ATOM 0 HA ALA A 111 70.331 -32.719 4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 111 70.335 -30.227 5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 111 71.887 -30.835 4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 111 70.690 -30.140 3.336 1.00 0.00 H new TER 1604 ALA A 111