USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 CYS SG : rot 150:sc= -0.306 USER MOD Set 1.2: A 78 GLN : amide:sc= -5.03! C(o=-5.3!,f=-4.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 17:sc= 0.00334 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.791 K(o=-0.79,f=-4.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -3.32! C(o=-3.3!,f=-6.5!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -7.69! C(o=-7.7!,f=-8.2!) USER MOD Single : A 29 ASN : amide:sc= 0.00217 K(o=0.0022,f=-3.9!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 159:sc= -0.0384 (180deg=-0.347) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 171:sc= -1.13 (180deg=-1.31) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.556 F(o=-1.8,f=-0.56) USER MOD Single : A 52 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.0093) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 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 Single : A 81 HIS : no HD1:sc= -0.0776 X(o=-0.078,f=-0.2) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -2.85! C(o=-2.9!,f=-3.1!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.763 21.290 22.456 1.00 0.00 N ATOM 2 CA GLY A 1 12.817 20.191 22.395 1.00 0.00 C ATOM 3 C GLY A 1 13.196 19.048 23.315 1.00 0.00 C ATOM 4 O GLY A 1 13.704 18.021 22.862 1.00 0.00 O ATOM 0 H1 GLY A 1 13.459 22.046 21.809 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.803 21.660 23.427 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.706 20.952 22.175 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.825 20.555 22.662 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.757 19.824 21.370 1.00 0.00 H new ATOM 8 N SER A 2 12.954 19.225 24.609 1.00 0.00 N ATOM 9 CA SER A 2 13.279 18.201 25.596 1.00 0.00 C ATOM 10 C SER A 2 12.180 18.092 26.649 1.00 0.00 C ATOM 11 O SER A 2 11.209 18.849 26.628 1.00 0.00 O ATOM 12 CB SER A 2 14.616 18.518 26.267 1.00 0.00 C ATOM 13 OG SER A 2 15.704 18.127 25.448 1.00 0.00 O ATOM 0 H SER A 2 12.534 20.068 25.000 1.00 0.00 H new ATOM 0 HA SER A 2 13.357 17.244 25.079 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.678 19.586 26.474 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.676 18.004 27.226 1.00 0.00 H new ATOM 0 HG SER A 2 15.389 17.989 24.530 1.00 0.00 H new ATOM 19 N SER A 3 12.342 17.148 27.569 1.00 0.00 N ATOM 20 CA SER A 3 11.363 16.936 28.628 1.00 0.00 C ATOM 21 C SER A 3 11.664 17.825 29.831 1.00 0.00 C ATOM 22 O SER A 3 12.344 17.410 30.769 1.00 0.00 O ATOM 23 CB SER A 3 11.351 15.467 29.056 1.00 0.00 C ATOM 24 OG SER A 3 10.874 14.636 28.011 1.00 0.00 O ATOM 0 H SER A 3 13.143 16.517 27.603 1.00 0.00 H new ATOM 0 HA SER A 3 10.380 17.201 28.238 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.357 15.159 29.339 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.721 15.347 29.937 1.00 0.00 H new ATOM 0 HG SER A 3 10.877 13.702 28.308 1.00 0.00 H new ATOM 30 N GLY A 4 11.153 19.052 29.796 1.00 0.00 N ATOM 31 CA GLY A 4 11.379 19.981 30.888 1.00 0.00 C ATOM 32 C GLY A 4 10.262 20.998 31.022 1.00 0.00 C ATOM 33 O GLY A 4 9.379 20.851 31.867 1.00 0.00 O ATOM 0 H GLY A 4 10.587 19.419 29.031 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.474 19.425 31.821 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.323 20.501 30.729 1.00 0.00 H new ATOM 37 N SER A 5 10.304 22.033 30.190 1.00 0.00 N ATOM 38 CA SER A 5 9.290 23.082 30.225 1.00 0.00 C ATOM 39 C SER A 5 7.896 22.498 30.015 1.00 0.00 C ATOM 40 O SER A 5 7.715 21.560 29.238 1.00 0.00 O ATOM 41 CB SER A 5 9.580 24.136 29.154 1.00 0.00 C ATOM 42 OG SER A 5 9.645 23.549 27.865 1.00 0.00 O ATOM 0 H SER A 5 11.028 22.168 29.484 1.00 0.00 H new ATOM 0 HA SER A 5 9.323 23.553 31.208 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.802 24.899 29.171 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.522 24.636 29.377 1.00 0.00 H new ATOM 0 HG SER A 5 9.830 24.243 27.198 1.00 0.00 H new ATOM 48 N SER A 6 6.916 23.059 30.715 1.00 0.00 N ATOM 49 CA SER A 6 5.538 22.593 30.609 1.00 0.00 C ATOM 50 C SER A 6 4.926 23.005 29.274 1.00 0.00 C ATOM 51 O SER A 6 5.509 23.789 28.526 1.00 0.00 O ATOM 52 CB SER A 6 4.700 23.150 31.762 1.00 0.00 C ATOM 53 OG SER A 6 5.107 22.599 33.002 1.00 0.00 O ATOM 0 H SER A 6 7.050 23.837 31.361 1.00 0.00 H new ATOM 0 HA SER A 6 5.543 21.504 30.665 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.796 24.235 31.794 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.647 22.928 31.590 1.00 0.00 H new ATOM 0 HG SER A 6 4.557 22.972 33.722 1.00 0.00 H new ATOM 59 N GLY A 7 3.745 22.469 28.981 1.00 0.00 N ATOM 60 CA GLY A 7 3.072 22.790 27.737 1.00 0.00 C ATOM 61 C GLY A 7 3.745 22.160 26.533 1.00 0.00 C ATOM 62 O GLY A 7 4.904 22.451 26.240 1.00 0.00 O ATOM 0 H GLY A 7 3.242 21.818 29.584 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.037 22.451 27.789 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.047 23.872 27.610 1.00 0.00 H new ATOM 66 N SER A 8 3.017 21.294 25.837 1.00 0.00 N ATOM 67 CA SER A 8 3.553 20.616 24.662 1.00 0.00 C ATOM 68 C SER A 8 2.470 19.796 23.967 1.00 0.00 C ATOM 69 O SER A 8 1.549 19.292 24.609 1.00 0.00 O ATOM 70 CB SER A 8 4.719 19.708 25.058 1.00 0.00 C ATOM 71 OG SER A 8 5.446 19.284 23.918 1.00 0.00 O ATOM 0 H SER A 8 2.055 21.045 26.066 1.00 0.00 H new ATOM 0 HA SER A 8 3.912 21.376 23.968 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.383 20.240 25.739 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.341 18.839 25.596 1.00 0.00 H new ATOM 0 HG SER A 8 6.187 18.707 24.198 1.00 0.00 H new ATOM 77 N ILE A 9 2.588 19.669 22.650 1.00 0.00 N ATOM 78 CA ILE A 9 1.621 18.910 21.866 1.00 0.00 C ATOM 79 C ILE A 9 2.312 17.845 21.021 1.00 0.00 C ATOM 80 O ILE A 9 1.719 16.817 20.694 1.00 0.00 O ATOM 81 CB ILE A 9 0.800 19.828 20.943 1.00 0.00 C ATOM 82 CG1 ILE A 9 0.330 21.068 21.707 1.00 0.00 C ATOM 83 CG2 ILE A 9 -0.389 19.074 20.365 1.00 0.00 C ATOM 84 CD1 ILE A 9 0.109 22.276 20.823 1.00 0.00 C ATOM 0 H ILE A 9 3.344 20.082 22.103 1.00 0.00 H new ATOM 0 HA ILE A 9 0.949 18.427 22.576 1.00 0.00 H new ATOM 0 HB ILE A 9 1.436 20.151 20.119 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.599 20.834 22.227 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.068 21.316 22.470 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.959 19.737 19.715 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.033 18.219 19.790 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.027 18.724 21.176 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.223 23.117 21.432 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.042 22.536 20.323 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.651 22.046 20.076 1.00 0.00 H new ATOM 96 N GLN A 10 3.569 18.097 20.674 1.00 0.00 N ATOM 97 CA GLN A 10 4.342 17.158 19.867 1.00 0.00 C ATOM 98 C GLN A 10 3.633 16.861 18.550 1.00 0.00 C ATOM 99 O GLN A 10 3.399 15.703 18.206 1.00 0.00 O ATOM 100 CB GLN A 10 4.572 15.860 20.640 1.00 0.00 C ATOM 101 CG GLN A 10 5.772 15.065 20.149 1.00 0.00 C ATOM 102 CD GLN A 10 7.093 15.695 20.545 1.00 0.00 C ATOM 103 OE1 GLN A 10 7.358 16.855 20.231 1.00 0.00 O ATOM 104 NE2 GLN A 10 7.928 14.932 21.240 1.00 0.00 N ATOM 0 H GLN A 10 4.075 18.942 20.938 1.00 0.00 H new ATOM 0 HA GLN A 10 5.306 17.616 19.644 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.709 16.095 21.696 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.679 15.239 20.565 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.722 14.053 20.551 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.726 14.979 19.063 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.666 13.975 21.478 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.831 15.302 21.536 1.00 0.00 H new ATOM 113 N LYS A 11 3.292 17.916 17.816 1.00 0.00 N ATOM 114 CA LYS A 11 2.611 17.769 16.535 1.00 0.00 C ATOM 115 C LYS A 11 2.940 18.934 15.607 1.00 0.00 C ATOM 116 O LYS A 11 3.066 20.076 16.050 1.00 0.00 O ATOM 117 CB LYS A 11 1.098 17.683 16.746 1.00 0.00 C ATOM 118 CG LYS A 11 0.629 16.323 17.233 1.00 0.00 C ATOM 119 CD LYS A 11 -0.887 16.215 17.210 1.00 0.00 C ATOM 120 CE LYS A 11 -1.370 14.989 17.968 1.00 0.00 C ATOM 121 NZ LYS A 11 -1.042 13.727 17.248 1.00 0.00 N ATOM 0 H LYS A 11 3.476 18.882 18.087 1.00 0.00 H new ATOM 0 HA LYS A 11 2.960 16.847 16.070 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.796 18.442 17.468 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.595 17.917 15.808 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.060 15.542 16.606 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.991 16.154 18.247 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.323 17.112 17.650 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.234 16.166 16.178 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.914 14.971 18.958 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.448 15.054 18.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.388 12.914 17.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.497 13.732 16.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.011 13.652 17.131 1.00 0.00 H new ATOM 135 N ASP A 12 3.078 18.639 14.319 1.00 0.00 N ATOM 136 CA ASP A 12 3.389 19.663 13.329 1.00 0.00 C ATOM 137 C ASP A 12 3.313 19.093 11.916 1.00 0.00 C ATOM 138 O ASP A 12 3.249 17.877 11.728 1.00 0.00 O ATOM 139 CB ASP A 12 4.782 20.243 13.583 1.00 0.00 C ATOM 140 CG ASP A 12 4.766 21.357 14.611 1.00 0.00 C ATOM 141 OD1 ASP A 12 3.940 22.283 14.468 1.00 0.00 O ATOM 142 OD2 ASP A 12 5.580 21.304 15.557 1.00 0.00 O ATOM 0 H ASP A 12 2.979 17.699 13.936 1.00 0.00 H new ATOM 0 HA ASP A 12 2.650 20.459 13.422 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.447 19.449 13.922 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.191 20.622 12.647 1.00 0.00 H new ATOM 147 N LEU A 13 3.319 19.978 10.926 1.00 0.00 N ATOM 148 CA LEU A 13 3.249 19.564 9.528 1.00 0.00 C ATOM 149 C LEU A 13 4.160 18.368 9.269 1.00 0.00 C ATOM 150 O LEU A 13 5.216 18.235 9.886 1.00 0.00 O ATOM 151 CB LEU A 13 3.638 20.725 8.612 1.00 0.00 C ATOM 152 CG LEU A 13 5.134 21.024 8.506 1.00 0.00 C ATOM 153 CD1 LEU A 13 5.777 20.158 7.432 1.00 0.00 C ATOM 154 CD2 LEU A 13 5.363 22.499 8.213 1.00 0.00 C ATOM 0 H LEU A 13 3.372 20.987 11.065 1.00 0.00 H new ATOM 0 HA LEU A 13 2.222 19.268 9.312 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.258 20.516 7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.132 21.624 8.964 1.00 0.00 H new ATOM 0 HG LEU A 13 5.601 20.787 9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.841 20.385 7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.644 19.106 7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.307 20.362 6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.433 22.694 8.141 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.882 22.762 7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.938 23.100 9.017 1.00 0.00 H new ATOM 166 N ALA A 14 3.744 17.503 8.351 1.00 0.00 N ATOM 167 CA ALA A 14 4.524 16.320 8.006 1.00 0.00 C ATOM 168 C ALA A 14 4.512 16.074 6.502 1.00 0.00 C ATOM 169 O ALA A 14 3.513 16.328 5.829 1.00 0.00 O ATOM 170 CB ALA A 14 3.992 15.102 8.747 1.00 0.00 C ATOM 0 H ALA A 14 2.871 17.599 7.832 1.00 0.00 H new ATOM 0 HA ALA A 14 5.556 16.494 8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.584 14.226 8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.060 15.272 9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.951 14.934 8.471 1.00 0.00 H new ATOM 176 N ASN A 15 5.628 15.576 5.978 1.00 0.00 N ATOM 177 CA ASN A 15 5.745 15.296 4.552 1.00 0.00 C ATOM 178 C ASN A 15 5.184 13.917 4.221 1.00 0.00 C ATOM 179 O ASN A 15 4.396 13.764 3.287 1.00 0.00 O ATOM 180 CB ASN A 15 7.208 15.384 4.113 1.00 0.00 C ATOM 181 CG ASN A 15 7.939 14.064 4.268 1.00 0.00 C ATOM 182 OD1 ASN A 15 7.625 13.085 3.590 1.00 0.00 O ATOM 183 ND2 ASN A 15 8.919 14.032 5.163 1.00 0.00 N ATOM 0 H ASN A 15 6.464 15.358 6.520 1.00 0.00 H new ATOM 0 HA ASN A 15 5.165 16.043 4.011 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.253 15.701 3.071 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.716 16.148 4.701 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.446 13.172 5.311 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.145 14.868 5.702 1.00 0.00 H new ATOM 190 N ILE A 16 5.597 12.916 4.991 1.00 0.00 N ATOM 191 CA ILE A 16 5.135 11.550 4.780 1.00 0.00 C ATOM 192 C ILE A 16 3.670 11.524 4.360 1.00 0.00 C ATOM 193 O ILE A 16 2.842 12.247 4.914 1.00 0.00 O ATOM 194 CB ILE A 16 5.309 10.695 6.049 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.779 10.665 6.473 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.792 9.283 5.812 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.692 10.032 5.445 1.00 0.00 C ATOM 0 H ILE A 16 6.251 13.025 5.766 1.00 0.00 H new ATOM 0 HA ILE A 16 5.747 11.130 3.982 1.00 0.00 H new ATOM 0 HB ILE A 16 4.727 11.144 6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.114 11.684 6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.867 10.117 7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.922 8.691 6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.734 9.322 5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.349 8.824 4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.718 10.045 5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.383 9.002 5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.634 10.593 4.512 1.00 0.00 H new ATOM 209 N ALA A 17 3.356 10.684 3.379 1.00 0.00 N ATOM 210 CA ALA A 17 1.989 10.560 2.887 1.00 0.00 C ATOM 211 C ALA A 17 1.380 9.221 3.288 1.00 0.00 C ATOM 212 O ALA A 17 1.752 8.177 2.756 1.00 0.00 O ATOM 213 CB ALA A 17 1.956 10.726 1.375 1.00 0.00 C ATOM 0 H ALA A 17 4.030 10.079 2.909 1.00 0.00 H new ATOM 0 HA ALA A 17 1.392 11.351 3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.930 10.631 1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.342 11.710 1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.572 9.956 0.911 1.00 0.00 H new ATOM 219 N GLU A 18 0.444 9.261 4.231 1.00 0.00 N ATOM 220 CA GLU A 18 -0.215 8.049 4.704 1.00 0.00 C ATOM 221 C GLU A 18 -1.399 7.689 3.812 1.00 0.00 C ATOM 222 O GLU A 18 -2.408 8.395 3.786 1.00 0.00 O ATOM 223 CB GLU A 18 -0.686 8.229 6.149 1.00 0.00 C ATOM 224 CG GLU A 18 -0.733 6.932 6.940 1.00 0.00 C ATOM 225 CD GLU A 18 -1.202 7.136 8.367 1.00 0.00 C ATOM 226 OE1 GLU A 18 -0.683 8.055 9.036 1.00 0.00 O ATOM 227 OE2 GLU A 18 -2.087 6.379 8.815 1.00 0.00 O ATOM 0 H GLU A 18 0.125 10.118 4.682 1.00 0.00 H new ATOM 0 HA GLU A 18 0.508 7.234 4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.021 8.929 6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.679 8.679 6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.399 6.229 6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.259 6.480 6.949 1.00 0.00 H new ATOM 234 N VAL A 19 -1.268 6.587 3.081 1.00 0.00 N ATOM 235 CA VAL A 19 -2.327 6.132 2.187 1.00 0.00 C ATOM 236 C VAL A 19 -2.758 4.709 2.524 1.00 0.00 C ATOM 237 O VAL A 19 -1.926 3.809 2.632 1.00 0.00 O ATOM 238 CB VAL A 19 -1.881 6.188 0.714 1.00 0.00 C ATOM 239 CG1 VAL A 19 -2.990 5.690 -0.199 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.462 7.601 0.336 1.00 0.00 C ATOM 0 H VAL A 19 -0.439 5.992 3.090 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.172 6.806 2.328 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.019 5.533 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.656 5.737 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.236 4.659 0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.873 6.316 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.150 7.621 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.303 8.280 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.632 7.916 0.969 1.00 0.00 H new ATOM 250 N GLU A 20 -4.063 4.514 2.686 1.00 0.00 N ATOM 251 CA GLU A 20 -4.603 3.200 3.012 1.00 0.00 C ATOM 252 C GLU A 20 -5.320 2.594 1.808 1.00 0.00 C ATOM 253 O GLU A 20 -5.740 3.308 0.897 1.00 0.00 O ATOM 254 CB GLU A 20 -5.566 3.298 4.197 1.00 0.00 C ATOM 255 CG GLU A 20 -4.939 3.902 5.442 1.00 0.00 C ATOM 256 CD GLU A 20 -4.918 5.418 5.408 1.00 0.00 C ATOM 257 OE1 GLU A 20 -5.981 6.032 5.637 1.00 0.00 O ATOM 258 OE2 GLU A 20 -3.838 5.991 5.151 1.00 0.00 O ATOM 0 H GLU A 20 -4.765 5.249 2.597 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.771 2.550 3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.427 3.899 3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.939 2.302 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.492 3.570 6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.920 3.531 5.548 1.00 0.00 H new ATOM 265 N VAL A 21 -5.457 1.272 1.812 1.00 0.00 N ATOM 266 CA VAL A 21 -6.123 0.569 0.723 1.00 0.00 C ATOM 267 C VAL A 21 -6.947 -0.602 1.246 1.00 0.00 C ATOM 268 O VAL A 21 -6.579 -1.241 2.231 1.00 0.00 O ATOM 269 CB VAL A 21 -5.108 0.046 -0.311 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.184 -0.984 0.320 1.00 0.00 C ATOM 271 CG2 VAL A 21 -5.829 -0.541 -1.516 1.00 0.00 C ATOM 0 H VAL A 21 -5.115 0.666 2.558 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.785 1.288 0.241 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.500 0.884 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.474 -1.342 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.641 -0.527 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.773 -1.822 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.097 -0.906 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.463 -1.367 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.444 0.228 -1.982 1.00 0.00 H new ATOM 281 N SER A 22 -8.064 -0.877 0.580 1.00 0.00 N ATOM 282 CA SER A 22 -8.943 -1.968 0.981 1.00 0.00 C ATOM 283 C SER A 22 -8.435 -3.302 0.440 1.00 0.00 C ATOM 284 O SER A 22 -8.360 -3.504 -0.772 1.00 0.00 O ATOM 285 CB SER A 22 -10.368 -1.714 0.483 1.00 0.00 C ATOM 286 OG SER A 22 -11.196 -2.842 0.707 1.00 0.00 O ATOM 0 H SER A 22 -8.381 -0.359 -0.240 1.00 0.00 H new ATOM 0 HA SER A 22 -8.949 -2.014 2.070 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.785 -0.846 0.993 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.348 -1.479 -0.581 1.00 0.00 H new ATOM 0 HG SER A 22 -12.101 -2.653 0.381 1.00 0.00 H new ATOM 292 N ILE A 23 -8.087 -4.207 1.348 1.00 0.00 N ATOM 293 CA ILE A 23 -7.587 -5.522 0.963 1.00 0.00 C ATOM 294 C ILE A 23 -7.842 -6.549 2.060 1.00 0.00 C ATOM 295 O ILE A 23 -7.670 -6.280 3.250 1.00 0.00 O ATOM 296 CB ILE A 23 -6.079 -5.481 0.653 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.796 -4.498 -0.486 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.574 -6.871 0.299 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.324 -4.339 -0.794 1.00 0.00 C ATOM 0 H ILE A 23 -8.142 -4.055 2.355 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.127 -5.815 0.062 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.549 -5.139 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.312 -4.837 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.212 -3.524 -0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.507 -6.826 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.746 -7.545 1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.107 -7.239 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.198 -3.628 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.805 -3.971 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.907 -5.303 -1.084 1.00 0.00 H new ATOM 311 N PRO A 24 -8.260 -7.757 1.654 1.00 0.00 N ATOM 312 CA PRO A 24 -8.546 -8.851 2.587 1.00 0.00 C ATOM 313 C PRO A 24 -7.282 -9.401 3.239 1.00 0.00 C ATOM 314 O PRO A 24 -6.184 -9.266 2.700 1.00 0.00 O ATOM 315 CB PRO A 24 -9.194 -9.916 1.698 1.00 0.00 C ATOM 316 CG PRO A 24 -8.669 -9.638 0.331 1.00 0.00 C ATOM 317 CD PRO A 24 -8.487 -8.148 0.252 1.00 0.00 C ATOM 0 HA PRO A 24 -9.176 -8.526 3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.930 -10.921 2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.281 -9.847 1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.725 -10.156 0.163 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.364 -9.987 -0.432 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.642 -7.879 -0.382 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.367 -7.657 -0.165 1.00 0.00 H new ATOM 325 N ALA A 25 -7.444 -10.020 4.404 1.00 0.00 N ATOM 326 CA ALA A 25 -6.317 -10.593 5.128 1.00 0.00 C ATOM 327 C ALA A 25 -5.902 -11.932 4.529 1.00 0.00 C ATOM 328 O ALA A 25 -4.745 -12.342 4.639 1.00 0.00 O ATOM 329 CB ALA A 25 -6.664 -10.756 6.600 1.00 0.00 C ATOM 0 H ALA A 25 -8.346 -10.137 4.866 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.474 -9.908 5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.813 -11.185 7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.903 -9.782 7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.524 -11.418 6.700 1.00 0.00 H new ATOM 335 N LYS A 26 -6.851 -12.611 3.895 1.00 0.00 N ATOM 336 CA LYS A 26 -6.584 -13.905 3.277 1.00 0.00 C ATOM 337 C LYS A 26 -5.565 -13.770 2.151 1.00 0.00 C ATOM 338 O LYS A 26 -4.872 -14.729 1.809 1.00 0.00 O ATOM 339 CB LYS A 26 -7.881 -14.511 2.735 1.00 0.00 C ATOM 340 CG LYS A 26 -8.295 -13.954 1.385 1.00 0.00 C ATOM 341 CD LYS A 26 -9.788 -14.110 1.152 1.00 0.00 C ATOM 342 CE LYS A 26 -10.573 -12.962 1.769 1.00 0.00 C ATOM 343 NZ LYS A 26 -12.039 -13.222 1.757 1.00 0.00 N ATOM 0 H LYS A 26 -7.813 -12.287 3.795 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.171 -14.566 4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.760 -15.591 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.682 -14.334 3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.025 -12.900 1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.747 -14.467 0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.987 -14.154 0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.127 -15.054 1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.241 -12.805 2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.363 -12.043 1.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.538 -12.417 2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.361 -13.347 0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.243 -14.085 2.301 1.00 0.00 H new ATOM 357 N LEU A 27 -5.477 -12.574 1.578 1.00 0.00 N ATOM 358 CA LEU A 27 -4.539 -12.313 0.491 1.00 0.00 C ATOM 359 C LEU A 27 -3.205 -11.811 1.031 1.00 0.00 C ATOM 360 O LEU A 27 -2.147 -12.106 0.475 1.00 0.00 O ATOM 361 CB LEU A 27 -5.128 -11.290 -0.482 1.00 0.00 C ATOM 362 CG LEU A 27 -6.335 -11.756 -1.296 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.776 -10.670 -2.265 1.00 0.00 C ATOM 364 CD2 LEU A 27 -6.011 -13.041 -2.043 1.00 0.00 C ATOM 0 H LEU A 27 -6.044 -11.770 1.848 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.365 -13.250 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.417 -10.404 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.344 -10.984 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.157 -11.957 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.636 -11.019 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.050 -9.774 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.958 -10.437 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.882 -13.358 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.174 -12.867 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.745 -13.820 -1.329 1.00 0.00 H new ATOM 376 N HIS A 28 -3.262 -11.049 2.119 1.00 0.00 N ATOM 377 CA HIS A 28 -2.057 -10.505 2.737 1.00 0.00 C ATOM 378 C HIS A 28 -0.970 -11.571 2.836 1.00 0.00 C ATOM 379 O HIS A 28 0.142 -11.384 2.346 1.00 0.00 O ATOM 380 CB HIS A 28 -2.376 -9.955 4.128 1.00 0.00 C ATOM 381 CG HIS A 28 -3.338 -8.807 4.111 1.00 0.00 C ATOM 382 ND1 HIS A 28 -3.868 -8.253 5.258 1.00 0.00 N ATOM 383 CD2 HIS A 28 -3.864 -8.107 3.079 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.679 -7.264 4.930 1.00 0.00 C ATOM 385 NE2 HIS A 28 -4.694 -7.154 3.614 1.00 0.00 N ATOM 0 H HIS A 28 -4.130 -10.794 2.591 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.690 -9.693 2.109 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.790 -10.756 4.741 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.449 -9.635 4.605 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -3.665 -8.559 6.210 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.667 -8.268 2.029 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.236 -6.649 5.621 1.00 0.00 H new ATOM 393 N ASN A 29 -1.300 -12.690 3.474 1.00 0.00 N ATOM 394 CA ASN A 29 -0.351 -13.785 3.637 1.00 0.00 C ATOM 395 C ASN A 29 0.370 -14.080 2.326 1.00 0.00 C ATOM 396 O ASN A 29 1.561 -14.392 2.317 1.00 0.00 O ATOM 397 CB ASN A 29 -1.071 -15.041 4.131 1.00 0.00 C ATOM 398 CG ASN A 29 -1.657 -14.864 5.519 1.00 0.00 C ATOM 399 OD1 ASN A 29 -2.254 -13.832 5.825 1.00 0.00 O ATOM 400 ND2 ASN A 29 -1.488 -15.872 6.365 1.00 0.00 N ATOM 0 H ASN A 29 -2.217 -12.862 3.886 1.00 0.00 H new ATOM 0 HA ASN A 29 0.390 -13.484 4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.868 -15.298 3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.372 -15.878 4.139 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.860 -15.810 7.313 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.986 -16.709 6.068 1.00 0.00 H new ATOM 407 N SER A 30 -0.360 -13.980 1.220 1.00 0.00 N ATOM 408 CA SER A 30 0.208 -14.240 -0.098 1.00 0.00 C ATOM 409 C SER A 30 1.114 -13.092 -0.534 1.00 0.00 C ATOM 410 O SER A 30 2.311 -13.278 -0.752 1.00 0.00 O ATOM 411 CB SER A 30 -0.907 -14.446 -1.126 1.00 0.00 C ATOM 412 OG SER A 30 -1.514 -15.716 -0.970 1.00 0.00 O ATOM 0 H SER A 30 -1.346 -13.721 1.210 1.00 0.00 H new ATOM 0 HA SER A 30 0.807 -15.149 -0.037 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.658 -13.664 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.499 -14.355 -2.133 1.00 0.00 H new ATOM 0 HG SER A 30 -2.224 -15.823 -1.637 1.00 0.00 H new ATOM 418 N LEU A 31 0.532 -11.904 -0.662 1.00 0.00 N ATOM 419 CA LEU A 31 1.284 -10.724 -1.073 1.00 0.00 C ATOM 420 C LEU A 31 2.606 -10.631 -0.318 1.00 0.00 C ATOM 421 O LEU A 31 3.656 -10.380 -0.912 1.00 0.00 O ATOM 422 CB LEU A 31 0.458 -9.460 -0.836 1.00 0.00 C ATOM 423 CG LEU A 31 -0.431 -9.011 -1.996 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.665 -8.289 -1.477 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.349 -8.117 -2.951 1.00 0.00 C ATOM 0 H LEU A 31 -0.458 -11.733 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 31 1.500 -10.814 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.173 -9.621 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.140 -8.646 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.757 -9.897 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.285 -7.977 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.236 -8.960 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.360 -7.412 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.299 -7.807 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.705 -7.236 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.201 -8.667 -3.351 1.00 0.00 H new ATOM 437 N ILE A 32 2.548 -10.835 0.994 1.00 0.00 N ATOM 438 CA ILE A 32 3.740 -10.777 1.830 1.00 0.00 C ATOM 439 C ILE A 32 4.821 -11.720 1.311 1.00 0.00 C ATOM 440 O ILE A 32 5.901 -11.285 0.913 1.00 0.00 O ATOM 441 CB ILE A 32 3.420 -11.134 3.293 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.353 -10.190 3.850 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.683 -11.076 4.141 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.576 -10.775 5.009 1.00 0.00 C ATOM 0 H ILE A 32 1.687 -11.042 1.501 1.00 0.00 H new ATOM 0 HA ILE A 32 4.106 -9.751 1.788 1.00 0.00 H new ATOM 0 HB ILE A 32 3.030 -12.151 3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.830 -9.265 4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.658 -9.928 3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.441 -11.331 5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.414 -11.786 3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.100 -10.070 4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.837 -10.052 5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.070 -11.685 4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.260 -11.011 5.824 1.00 0.00 H new ATOM 456 N GLY A 33 4.521 -13.015 1.318 1.00 0.00 N ATOM 457 CA GLY A 33 5.476 -14.001 0.845 1.00 0.00 C ATOM 458 C GLY A 33 5.975 -14.904 1.955 1.00 0.00 C ATOM 459 O GLY A 33 5.720 -14.653 3.134 1.00 0.00 O ATOM 0 H GLY A 33 3.634 -13.399 1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.012 -14.608 0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.324 -13.491 0.387 1.00 0.00 H new ATOM 463 N THR A 34 6.688 -15.962 1.580 1.00 0.00 N ATOM 464 CA THR A 34 7.221 -16.908 2.552 1.00 0.00 C ATOM 465 C THR A 34 8.022 -16.193 3.633 1.00 0.00 C ATOM 466 O THR A 34 7.845 -16.449 4.824 1.00 0.00 O ATOM 467 CB THR A 34 8.118 -17.962 1.876 1.00 0.00 C ATOM 468 OG1 THR A 34 8.715 -18.805 2.867 1.00 0.00 O ATOM 469 CG2 THR A 34 9.207 -17.295 1.049 1.00 0.00 C ATOM 0 H THR A 34 6.909 -16.185 0.610 1.00 0.00 H new ATOM 0 HA THR A 34 6.366 -17.408 3.008 1.00 0.00 H new ATOM 0 HB THR A 34 7.497 -18.564 1.213 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.282 -19.473 2.429 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.828 -18.059 0.581 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.750 -16.676 0.277 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.824 -16.671 1.696 1.00 0.00 H new ATOM 477 N LYS A 35 8.904 -15.293 3.212 1.00 0.00 N ATOM 478 CA LYS A 35 9.733 -14.537 4.144 1.00 0.00 C ATOM 479 C LYS A 35 9.539 -13.036 3.952 1.00 0.00 C ATOM 480 O LYS A 35 10.491 -12.262 4.030 1.00 0.00 O ATOM 481 CB LYS A 35 11.208 -14.900 3.958 1.00 0.00 C ATOM 482 CG LYS A 35 12.067 -14.597 5.173 1.00 0.00 C ATOM 483 CD LYS A 35 11.902 -15.656 6.250 1.00 0.00 C ATOM 484 CE LYS A 35 12.741 -16.889 5.952 1.00 0.00 C ATOM 485 NZ LYS A 35 14.199 -16.608 6.061 1.00 0.00 N ATOM 0 H LYS A 35 9.063 -15.069 2.230 1.00 0.00 H new ATOM 0 HA LYS A 35 9.426 -14.798 5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.285 -15.962 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.602 -14.355 3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.114 -14.540 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.797 -13.621 5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.192 -15.242 7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.852 -15.939 6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.472 -17.687 6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.515 -17.248 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.714 -17.500 6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.531 -16.154 5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.371 -15.973 6.867 1.00 0.00 H new ATOM 499 N GLY A 36 8.297 -12.632 3.701 1.00 0.00 N ATOM 500 CA GLY A 36 8.001 -11.225 3.502 1.00 0.00 C ATOM 501 C GLY A 36 8.898 -10.585 2.461 1.00 0.00 C ATOM 502 O GLY A 36 9.356 -9.456 2.636 1.00 0.00 O ATOM 0 H GLY A 36 7.491 -13.254 3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.960 -11.116 3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.113 -10.696 4.448 1.00 0.00 H new ATOM 506 N ARG A 37 9.150 -11.308 1.375 1.00 0.00 N ATOM 507 CA ARG A 37 10.001 -10.805 0.303 1.00 0.00 C ATOM 508 C ARG A 37 9.186 -9.999 -0.704 1.00 0.00 C ATOM 509 O ARG A 37 9.456 -8.819 -0.935 1.00 0.00 O ATOM 510 CB ARG A 37 10.704 -11.965 -0.406 1.00 0.00 C ATOM 511 CG ARG A 37 11.437 -12.900 0.541 1.00 0.00 C ATOM 512 CD ARG A 37 12.531 -13.675 -0.179 1.00 0.00 C ATOM 513 NE ARG A 37 11.985 -14.657 -1.111 1.00 0.00 N ATOM 514 CZ ARG A 37 12.685 -15.202 -2.099 1.00 0.00 C ATOM 515 NH1 ARG A 37 13.954 -14.863 -2.282 1.00 0.00 N ATOM 516 NH2 ARG A 37 12.118 -16.089 -2.906 1.00 0.00 N ATOM 0 H ARG A 37 8.777 -12.244 1.214 1.00 0.00 H new ATOM 0 HA ARG A 37 10.752 -10.150 0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.966 -12.537 -0.969 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.414 -11.562 -1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.874 -12.324 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.728 -13.598 0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.172 -12.979 -0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.159 -14.181 0.554 1.00 0.00 H new ATOM 0 HE ARG A 37 11.012 -14.940 -0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.394 -14.182 -1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.490 -15.283 -3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.143 -16.354 -2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.657 -16.506 -3.664 1.00 0.00 H new ATOM 530 N LEU A 38 8.189 -10.643 -1.302 1.00 0.00 N ATOM 531 CA LEU A 38 7.335 -9.985 -2.285 1.00 0.00 C ATOM 532 C LEU A 38 6.991 -8.566 -1.846 1.00 0.00 C ATOM 533 O LEU A 38 6.782 -7.681 -2.678 1.00 0.00 O ATOM 534 CB LEU A 38 6.052 -10.792 -2.495 1.00 0.00 C ATOM 535 CG LEU A 38 6.118 -11.897 -3.549 1.00 0.00 C ATOM 536 CD1 LEU A 38 5.044 -12.943 -3.295 1.00 0.00 C ATOM 537 CD2 LEU A 38 5.976 -11.311 -4.946 1.00 0.00 C ATOM 0 H LEU A 38 7.952 -11.619 -1.123 1.00 0.00 H new ATOM 0 HA LEU A 38 7.882 -9.931 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.770 -11.242 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.254 -10.102 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 38 7.091 -12.382 -3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.107 -13.721 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.193 -13.385 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.061 -12.473 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.025 -12.112 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.017 -10.799 -5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.783 -10.601 -5.127 1.00 0.00 H new ATOM 549 N ILE A 39 6.934 -8.356 -0.535 1.00 0.00 N ATOM 550 CA ILE A 39 6.618 -7.042 0.014 1.00 0.00 C ATOM 551 C ILE A 39 7.887 -6.259 0.330 1.00 0.00 C ATOM 552 O ILE A 39 7.986 -5.068 0.029 1.00 0.00 O ATOM 553 CB ILE A 39 5.768 -7.157 1.293 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.328 -7.534 0.942 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.804 -5.850 2.072 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.584 -6.450 0.193 1.00 0.00 C ATOM 0 H ILE A 39 7.102 -9.077 0.166 1.00 0.00 H new ATOM 0 HA ILE A 39 6.046 -6.511 -0.747 1.00 0.00 H new ATOM 0 HB ILE A 39 6.187 -7.943 1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.336 -8.442 0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.788 -7.766 1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.199 -5.947 2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.833 -5.620 2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.406 -5.046 1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.570 -6.787 -0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.545 -5.548 0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.101 -6.234 -0.742 1.00 0.00 H new ATOM 568 N ARG A 40 8.859 -6.935 0.936 1.00 0.00 N ATOM 569 CA ARG A 40 10.124 -6.302 1.291 1.00 0.00 C ATOM 570 C ARG A 40 10.768 -5.652 0.070 1.00 0.00 C ATOM 571 O ARG A 40 11.280 -4.535 0.148 1.00 0.00 O ATOM 572 CB ARG A 40 11.079 -7.330 1.899 1.00 0.00 C ATOM 573 CG ARG A 40 10.962 -7.451 3.409 1.00 0.00 C ATOM 574 CD ARG A 40 11.471 -6.202 4.111 1.00 0.00 C ATOM 575 NE ARG A 40 11.821 -6.461 5.505 1.00 0.00 N ATOM 576 CZ ARG A 40 12.444 -5.582 6.282 1.00 0.00 C ATOM 577 NH1 ARG A 40 12.783 -4.393 5.803 1.00 0.00 N ATOM 578 NH2 ARG A 40 12.728 -5.890 7.541 1.00 0.00 N ATOM 0 H ARG A 40 8.794 -7.920 1.191 1.00 0.00 H new ATOM 0 HA ARG A 40 9.920 -5.526 2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.886 -8.304 1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.103 -7.058 1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.921 -7.623 3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 40 11.528 -8.317 3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.345 -5.820 3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.708 -5.425 4.067 1.00 0.00 H new ATOM 0 HE ARG A 40 11.573 -7.367 5.904 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.565 -4.152 4.836 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.261 -3.720 6.401 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.468 -6.803 7.914 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.206 -5.214 8.136 1.00 0.00 H new ATOM 592 N SER A 41 10.740 -6.359 -1.055 1.00 0.00 N ATOM 593 CA SER A 41 11.326 -5.853 -2.291 1.00 0.00 C ATOM 594 C SER A 41 10.638 -4.563 -2.729 1.00 0.00 C ATOM 595 O SER A 41 11.256 -3.499 -2.764 1.00 0.00 O ATOM 596 CB SER A 41 11.219 -6.903 -3.397 1.00 0.00 C ATOM 597 OG SER A 41 12.307 -7.810 -3.348 1.00 0.00 O ATOM 0 H SER A 41 10.318 -7.284 -1.136 1.00 0.00 H new ATOM 0 HA SER A 41 12.378 -5.638 -2.105 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.281 -7.449 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.196 -6.410 -4.369 1.00 0.00 H new ATOM 0 HG SER A 41 12.214 -8.472 -4.065 1.00 0.00 H new ATOM 603 N ILE A 42 9.356 -4.667 -3.063 1.00 0.00 N ATOM 604 CA ILE A 42 8.584 -3.510 -3.498 1.00 0.00 C ATOM 605 C ILE A 42 8.930 -2.276 -2.672 1.00 0.00 C ATOM 606 O ILE A 42 9.180 -1.202 -3.217 1.00 0.00 O ATOM 607 CB ILE A 42 7.070 -3.774 -3.396 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.651 -4.858 -4.392 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.292 -2.490 -3.644 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.276 -5.427 -4.121 1.00 0.00 C ATOM 0 H ILE A 42 8.830 -5.541 -3.041 1.00 0.00 H new ATOM 0 HA ILE A 42 8.844 -3.331 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 42 6.844 -4.125 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.671 -4.442 -5.399 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.382 -5.666 -4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.223 -2.692 -3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.574 -1.744 -2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.521 -2.113 -4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.045 -6.189 -4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.256 -5.873 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.535 -4.630 -4.176 1.00 0.00 H new ATOM 622 N MET A 43 8.945 -2.439 -1.353 1.00 0.00 N ATOM 623 CA MET A 43 9.265 -1.338 -0.452 1.00 0.00 C ATOM 624 C MET A 43 10.559 -0.649 -0.871 1.00 0.00 C ATOM 625 O MET A 43 10.621 0.577 -0.954 1.00 0.00 O ATOM 626 CB MET A 43 9.387 -1.846 0.986 1.00 0.00 C ATOM 627 CG MET A 43 8.059 -2.261 1.600 1.00 0.00 C ATOM 628 SD MET A 43 8.046 -2.110 3.396 1.00 0.00 S ATOM 629 CE MET A 43 9.174 -3.424 3.853 1.00 0.00 C ATOM 0 H MET A 43 8.740 -3.322 -0.885 1.00 0.00 H new ATOM 0 HA MET A 43 8.454 -0.612 -0.506 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.068 -2.697 1.005 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.834 -1.065 1.602 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.262 -1.646 1.182 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.843 -3.293 1.325 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.396 -3.359 4.918 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.715 -4.389 3.637 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.098 -3.325 3.283 1.00 0.00 H new ATOM 639 N GLU A 44 11.590 -1.446 -1.134 1.00 0.00 N ATOM 640 CA GLU A 44 12.883 -0.911 -1.544 1.00 0.00 C ATOM 641 C GLU A 44 12.844 -0.448 -2.997 1.00 0.00 C ATOM 642 O GLU A 44 13.065 0.727 -3.290 1.00 0.00 O ATOM 643 CB GLU A 44 13.976 -1.966 -1.363 1.00 0.00 C ATOM 644 CG GLU A 44 15.367 -1.378 -1.190 1.00 0.00 C ATOM 645 CD GLU A 44 15.692 -1.066 0.258 1.00 0.00 C ATOM 646 OE1 GLU A 44 16.204 -1.965 0.958 1.00 0.00 O ATOM 647 OE2 GLU A 44 15.434 0.077 0.692 1.00 0.00 O ATOM 0 H GLU A 44 11.555 -2.463 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 44 13.109 -0.052 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.738 -2.578 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.976 -2.629 -2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.105 -2.078 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.448 -0.466 -1.781 1.00 0.00 H new ATOM 654 N GLU A 45 12.562 -1.379 -3.902 1.00 0.00 N ATOM 655 CA GLU A 45 12.496 -1.067 -5.325 1.00 0.00 C ATOM 656 C GLU A 45 11.878 0.310 -5.551 1.00 0.00 C ATOM 657 O GLU A 45 12.432 1.141 -6.270 1.00 0.00 O ATOM 658 CB GLU A 45 11.685 -2.130 -6.067 1.00 0.00 C ATOM 659 CG GLU A 45 12.397 -3.468 -6.184 1.00 0.00 C ATOM 660 CD GLU A 45 13.597 -3.410 -7.110 1.00 0.00 C ATOM 661 OE1 GLU A 45 13.563 -2.622 -8.078 1.00 0.00 O ATOM 662 OE2 GLU A 45 14.570 -4.153 -6.864 1.00 0.00 O ATOM 0 H GLU A 45 12.375 -2.356 -3.675 1.00 0.00 H new ATOM 0 HA GLU A 45 13.513 -1.059 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.736 -2.277 -5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.451 -1.764 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.721 -3.791 -5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.696 -4.218 -6.550 1.00 0.00 H new ATOM 669 N CYS A 46 10.725 0.542 -4.932 1.00 0.00 N ATOM 670 CA CYS A 46 10.028 1.817 -5.066 1.00 0.00 C ATOM 671 C CYS A 46 10.892 2.965 -4.553 1.00 0.00 C ATOM 672 O CYS A 46 11.132 3.940 -5.263 1.00 0.00 O ATOM 673 CB CYS A 46 8.703 1.780 -4.304 1.00 0.00 C ATOM 674 SG CYS A 46 7.313 1.150 -5.272 1.00 0.00 S ATOM 0 H CYS A 46 10.253 -0.136 -4.333 1.00 0.00 H new ATOM 0 HA CYS A 46 9.825 1.983 -6.124 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.824 1.160 -3.416 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.466 2.787 -3.960 1.00 0.00 H new ATOM 0 HG CYS A 46 6.463 0.565 -4.481 1.00 0.00 H new ATOM 680 N GLY A 47 11.356 2.842 -3.313 1.00 0.00 N ATOM 681 CA GLY A 47 12.186 3.876 -2.726 1.00 0.00 C ATOM 682 C GLY A 47 12.529 3.591 -1.276 1.00 0.00 C ATOM 683 O GLY A 47 13.648 3.849 -0.834 1.00 0.00 O ATOM 0 H GLY A 47 11.171 2.044 -2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.106 3.970 -3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.670 4.834 -2.793 1.00 0.00 H new ATOM 687 N GLY A 48 11.564 3.057 -0.535 1.00 0.00 N ATOM 688 CA GLY A 48 11.789 2.747 0.865 1.00 0.00 C ATOM 689 C GLY A 48 10.567 3.014 1.722 1.00 0.00 C ATOM 690 O GLY A 48 10.683 3.495 2.848 1.00 0.00 O ATOM 0 H GLY A 48 10.630 2.833 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.074 1.699 0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.625 3.340 1.235 1.00 0.00 H new ATOM 694 N VAL A 49 9.391 2.701 1.186 1.00 0.00 N ATOM 695 CA VAL A 49 8.142 2.910 1.908 1.00 0.00 C ATOM 696 C VAL A 49 7.826 1.725 2.814 1.00 0.00 C ATOM 697 O VAL A 49 8.191 0.588 2.516 1.00 0.00 O ATOM 698 CB VAL A 49 6.964 3.131 0.941 1.00 0.00 C ATOM 699 CG1 VAL A 49 7.215 4.348 0.063 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.732 1.890 0.093 1.00 0.00 C ATOM 0 H VAL A 49 9.278 2.302 0.254 1.00 0.00 H new ATOM 0 HA VAL A 49 8.275 3.804 2.517 1.00 0.00 H new ATOM 0 HB VAL A 49 6.064 3.316 1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.372 4.488 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.328 5.232 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.125 4.196 -0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.896 2.063 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.629 1.672 -0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.504 1.044 0.741 1.00 0.00 H new ATOM 710 N HIS A 50 7.146 1.999 3.923 1.00 0.00 N ATOM 711 CA HIS A 50 6.780 0.955 4.872 1.00 0.00 C ATOM 712 C HIS A 50 5.296 0.615 4.760 1.00 0.00 C ATOM 713 O HIS A 50 4.459 1.500 4.589 1.00 0.00 O ATOM 714 CB HIS A 50 7.107 1.397 6.300 1.00 0.00 C ATOM 715 CG HIS A 50 8.528 1.832 6.481 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.369 2.481 5.642 1.00 0.00 N flip ATOM 717 CD2 HIS A 50 9.243 1.606 7.639 1.00 0.00 C flip ATOM 718 CE1 HIS A 50 10.563 2.636 6.302 1.00 0.00 C flip ATOM 719 NE2 HIS A 50 10.461 2.100 7.505 1.00 0.00 N flip ATOM 0 H HIS A 50 6.838 2.935 4.186 1.00 0.00 H new ATOM 0 HA HIS A 50 7.359 0.063 4.634 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.446 2.218 6.578 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.898 0.574 6.983 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.866 1.104 8.518 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.443 3.118 5.902 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.197 2.072 8.210 1.00 0.00 H new ATOM 727 N ILE A 51 4.982 -0.672 4.858 1.00 0.00 N ATOM 728 CA ILE A 51 3.600 -1.128 4.767 1.00 0.00 C ATOM 729 C ILE A 51 3.147 -1.771 6.074 1.00 0.00 C ATOM 730 O ILE A 51 3.893 -2.525 6.700 1.00 0.00 O ATOM 731 CB ILE A 51 3.415 -2.140 3.621 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.980 -1.574 2.316 1.00 0.00 C ATOM 733 CG2 ILE A 51 1.944 -2.492 3.457 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.230 -2.626 1.260 1.00 0.00 C ATOM 0 H ILE A 51 5.664 -1.417 5.000 1.00 0.00 H new ATOM 0 HA ILE A 51 2.990 -0.247 4.566 1.00 0.00 H new ATOM 0 HB ILE A 51 3.961 -3.050 3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.286 -0.832 1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.915 -1.055 2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.830 -3.208 2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.570 -2.931 4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.377 -1.589 3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.630 -2.153 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.947 -3.356 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.294 -3.129 1.018 1.00 0.00 H new ATOM 746 N HIS A 52 1.918 -1.468 6.482 1.00 0.00 N ATOM 747 CA HIS A 52 1.363 -2.017 7.714 1.00 0.00 C ATOM 748 C HIS A 52 0.222 -2.984 7.411 1.00 0.00 C ATOM 749 O HIS A 52 -0.771 -2.612 6.787 1.00 0.00 O ATOM 750 CB HIS A 52 0.866 -0.892 8.621 1.00 0.00 C ATOM 751 CG HIS A 52 1.967 -0.043 9.181 1.00 0.00 C ATOM 752 ND1 HIS A 52 2.146 0.161 10.533 1.00 0.00 N ATOM 753 CD2 HIS A 52 2.949 0.653 8.564 1.00 0.00 C ATOM 754 CE1 HIS A 52 3.190 0.947 10.723 1.00 0.00 C ATOM 755 NE2 HIS A 52 3.696 1.260 9.544 1.00 0.00 N ATOM 0 H HIS A 52 1.288 -0.845 5.977 1.00 0.00 H new ATOM 0 HA HIS A 52 2.154 -2.564 8.228 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.180 -0.259 8.058 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.297 -1.324 9.444 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.115 0.719 7.499 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.566 1.278 11.680 1.00 0.00 H new ATOM 0 HE2 HIS A 52 4.509 1.855 9.387 1.00 0.00 H new ATOM 763 N PHE A 53 0.373 -4.227 7.859 1.00 0.00 N ATOM 764 CA PHE A 53 -0.644 -5.247 7.635 1.00 0.00 C ATOM 765 C PHE A 53 -1.251 -5.710 8.956 1.00 0.00 C ATOM 766 O PHE A 53 -0.547 -6.071 9.899 1.00 0.00 O ATOM 767 CB PHE A 53 -0.042 -6.442 6.891 1.00 0.00 C ATOM 768 CG PHE A 53 -0.066 -6.293 5.397 1.00 0.00 C ATOM 769 CD1 PHE A 53 -1.244 -6.473 4.688 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.087 -5.971 4.701 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.269 -6.337 3.313 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.069 -5.833 3.325 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.111 -6.016 2.631 1.00 0.00 C ATOM 0 H PHE A 53 1.189 -4.551 8.378 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.435 -4.809 7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.989 -6.581 7.218 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.588 -7.344 7.167 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.152 -6.722 5.216 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.012 -5.826 5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.193 -6.481 2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.976 -5.583 2.794 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.129 -5.908 1.557 1.00 0.00 H new ATOM 783 N PRO A 54 -2.590 -5.698 9.027 1.00 0.00 N ATOM 784 CA PRO A 54 -3.322 -6.114 10.227 1.00 0.00 C ATOM 785 C PRO A 54 -3.224 -7.614 10.477 1.00 0.00 C ATOM 786 O PRO A 54 -3.028 -8.397 9.547 1.00 0.00 O ATOM 787 CB PRO A 54 -4.768 -5.717 9.916 1.00 0.00 C ATOM 788 CG PRO A 54 -4.848 -5.714 8.428 1.00 0.00 C ATOM 789 CD PRO A 54 -3.493 -5.281 7.941 1.00 0.00 C ATOM 0 HA PRO A 54 -2.922 -5.650 11.129 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.475 -6.425 10.349 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.007 -4.736 10.327 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.101 -6.704 8.049 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.624 -5.032 8.080 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.234 -5.760 6.997 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.451 -4.205 7.775 1.00 0.00 H new ATOM 797 N VAL A 55 -3.361 -8.010 11.738 1.00 0.00 N ATOM 798 CA VAL A 55 -3.290 -9.419 12.109 1.00 0.00 C ATOM 799 C VAL A 55 -4.525 -10.176 11.636 1.00 0.00 C ATOM 800 O VAL A 55 -5.649 -9.690 11.763 1.00 0.00 O ATOM 801 CB VAL A 55 -3.150 -9.590 13.634 1.00 0.00 C ATOM 802 CG1 VAL A 55 -3.171 -11.064 14.010 1.00 0.00 C ATOM 803 CG2 VAL A 55 -1.874 -8.924 14.130 1.00 0.00 C ATOM 0 H VAL A 55 -3.522 -7.375 12.520 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.407 -9.831 11.621 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.998 -9.104 14.116 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.071 -11.165 15.091 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.114 -11.508 13.690 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.343 -11.576 13.519 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.791 -9.054 15.209 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.012 -9.380 13.642 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.904 -7.860 13.894 1.00 0.00 H new ATOM 813 N GLU A 56 -4.308 -11.368 11.089 1.00 0.00 N ATOM 814 CA GLU A 56 -5.406 -12.192 10.595 1.00 0.00 C ATOM 815 C GLU A 56 -6.490 -12.347 11.657 1.00 0.00 C ATOM 816 O GLU A 56 -7.656 -12.033 11.421 1.00 0.00 O ATOM 817 CB GLU A 56 -4.889 -13.569 10.174 1.00 0.00 C ATOM 818 CG GLU A 56 -4.099 -14.281 11.259 1.00 0.00 C ATOM 819 CD GLU A 56 -3.275 -15.435 10.719 1.00 0.00 C ATOM 820 OE1 GLU A 56 -3.864 -16.340 10.091 1.00 0.00 O ATOM 821 OE2 GLU A 56 -2.044 -15.432 10.924 1.00 0.00 O ATOM 0 H GLU A 56 -3.384 -11.784 10.977 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.840 -11.693 9.728 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.735 -14.192 9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.259 -13.457 9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.439 -13.567 11.750 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.786 -14.654 12.018 1.00 0.00 H new ATOM 828 N GLY A 57 -6.096 -12.836 12.830 1.00 0.00 N ATOM 829 CA GLY A 57 -7.045 -13.025 13.911 1.00 0.00 C ATOM 830 C GLY A 57 -8.017 -11.869 14.039 1.00 0.00 C ATOM 831 O GLY A 57 -9.229 -12.073 14.108 1.00 0.00 O ATOM 0 H GLY A 57 -5.137 -13.104 13.050 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.602 -13.947 13.744 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.503 -13.145 14.849 1.00 0.00 H new ATOM 835 N SER A 58 -7.485 -10.652 14.072 1.00 0.00 N ATOM 836 CA SER A 58 -8.314 -9.458 14.199 1.00 0.00 C ATOM 837 C SER A 58 -9.425 -9.456 13.152 1.00 0.00 C ATOM 838 O SER A 58 -10.607 -9.399 13.487 1.00 0.00 O ATOM 839 CB SER A 58 -7.457 -8.199 14.053 1.00 0.00 C ATOM 840 OG SER A 58 -6.840 -7.858 15.281 1.00 0.00 O ATOM 0 H SER A 58 -6.484 -10.466 14.013 1.00 0.00 H new ATOM 0 HA SER A 58 -8.771 -9.465 15.189 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.694 -8.361 13.292 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.077 -7.370 13.712 1.00 0.00 H new ATOM 0 HG SER A 58 -6.297 -7.051 15.161 1.00 0.00 H new ATOM 846 N GLY A 59 -9.034 -9.517 11.883 1.00 0.00 N ATOM 847 CA GLY A 59 -10.007 -9.520 10.806 1.00 0.00 C ATOM 848 C GLY A 59 -10.144 -8.164 10.145 1.00 0.00 C ATOM 849 O GLY A 59 -11.232 -7.780 9.717 1.00 0.00 O ATOM 0 H GLY A 59 -8.061 -9.564 11.581 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.714 -10.257 10.058 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.976 -9.830 11.197 1.00 0.00 H new ATOM 853 N SER A 60 -9.036 -7.434 10.060 1.00 0.00 N ATOM 854 CA SER A 60 -9.038 -6.110 9.450 1.00 0.00 C ATOM 855 C SER A 60 -8.470 -6.163 8.034 1.00 0.00 C ATOM 856 O SER A 60 -7.331 -6.580 7.826 1.00 0.00 O ATOM 857 CB SER A 60 -8.225 -5.132 10.302 1.00 0.00 C ATOM 858 OG SER A 60 -8.196 -3.845 9.710 1.00 0.00 O ATOM 0 H SER A 60 -8.126 -7.738 10.406 1.00 0.00 H new ATOM 0 HA SER A 60 -10.070 -5.763 9.396 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.658 -5.067 11.300 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.208 -5.505 10.419 1.00 0.00 H new ATOM 0 HG SER A 60 -7.672 -3.238 10.273 1.00 0.00 H new ATOM 864 N ASP A 61 -9.273 -5.737 7.066 1.00 0.00 N ATOM 865 CA ASP A 61 -8.852 -5.734 5.669 1.00 0.00 C ATOM 866 C ASP A 61 -8.398 -4.342 5.241 1.00 0.00 C ATOM 867 O ASP A 61 -8.682 -3.899 4.128 1.00 0.00 O ATOM 868 CB ASP A 61 -9.993 -6.212 4.769 1.00 0.00 C ATOM 869 CG ASP A 61 -11.330 -5.617 5.167 1.00 0.00 C ATOM 870 OD1 ASP A 61 -11.401 -4.383 5.348 1.00 0.00 O ATOM 871 OD2 ASP A 61 -12.306 -6.386 5.294 1.00 0.00 O ATOM 0 H ASP A 61 -10.219 -5.389 7.222 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.009 -6.418 5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.773 -5.946 3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.055 -7.299 4.812 1.00 0.00 H new ATOM 876 N THR A 62 -7.691 -3.656 6.134 1.00 0.00 N ATOM 877 CA THR A 62 -7.199 -2.313 5.850 1.00 0.00 C ATOM 878 C THR A 62 -5.677 -2.256 5.933 1.00 0.00 C ATOM 879 O THR A 62 -5.092 -2.546 6.977 1.00 0.00 O ATOM 880 CB THR A 62 -7.794 -1.279 6.824 1.00 0.00 C ATOM 881 OG1 THR A 62 -9.219 -1.238 6.684 1.00 0.00 O ATOM 882 CG2 THR A 62 -7.214 0.103 6.567 1.00 0.00 C ATOM 0 H THR A 62 -7.446 -4.008 7.060 1.00 0.00 H new ATOM 0 HA THR A 62 -7.514 -2.069 4.836 1.00 0.00 H new ATOM 0 HB THR A 62 -7.537 -1.580 7.840 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.590 -0.580 7.308 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.649 0.816 7.267 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.133 0.075 6.703 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.444 0.410 5.547 1.00 0.00 H new ATOM 890 N VAL A 63 -5.043 -1.880 4.828 1.00 0.00 N ATOM 891 CA VAL A 63 -3.589 -1.782 4.776 1.00 0.00 C ATOM 892 C VAL A 63 -3.135 -0.327 4.779 1.00 0.00 C ATOM 893 O VAL A 63 -3.538 0.461 3.924 1.00 0.00 O ATOM 894 CB VAL A 63 -3.023 -2.483 3.526 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.512 -2.319 3.460 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.409 -3.955 3.521 1.00 0.00 C ATOM 0 H VAL A 63 -5.513 -1.638 3.956 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.207 -2.280 5.667 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.454 -2.015 2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.130 -2.821 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.263 -1.259 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.059 -2.760 4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.001 -4.435 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.008 -4.439 4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.495 -4.046 3.517 1.00 0.00 H new ATOM 906 N VAL A 64 -2.293 0.023 5.746 1.00 0.00 N ATOM 907 CA VAL A 64 -1.782 1.384 5.859 1.00 0.00 C ATOM 908 C VAL A 64 -0.329 1.464 5.405 1.00 0.00 C ATOM 909 O VAL A 64 0.529 0.733 5.900 1.00 0.00 O ATOM 910 CB VAL A 64 -1.885 1.903 7.305 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.377 3.334 7.396 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.319 1.805 7.804 1.00 0.00 C ATOM 0 H VAL A 64 -1.950 -0.617 6.462 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.397 2.009 5.211 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.259 1.279 7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.458 3.684 8.425 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.334 3.371 7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.975 3.974 6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.374 2.176 8.827 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.968 2.404 7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.643 0.765 7.777 1.00 0.00 H new ATOM 922 N ILE A 65 -0.060 2.359 4.459 1.00 0.00 N ATOM 923 CA ILE A 65 1.290 2.537 3.938 1.00 0.00 C ATOM 924 C ILE A 65 1.838 3.916 4.292 1.00 0.00 C ATOM 925 O ILE A 65 1.110 4.909 4.266 1.00 0.00 O ATOM 926 CB ILE A 65 1.332 2.355 2.410 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.739 1.001 2.018 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.761 2.481 1.901 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.526 0.841 0.529 1.00 0.00 C ATOM 0 H ILE A 65 -0.759 2.971 4.038 1.00 0.00 H new ATOM 0 HA ILE A 65 1.912 1.772 4.403 1.00 0.00 H new ATOM 0 HB ILE A 65 0.732 3.140 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.400 0.209 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.215 0.870 2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.775 2.350 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.151 3.467 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.382 1.716 2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.103 -0.143 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.159 1.611 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.481 0.940 0.012 1.00 0.00 H new ATOM 941 N ARG A 66 3.125 3.969 4.618 1.00 0.00 N ATOM 942 CA ARG A 66 3.771 5.226 4.975 1.00 0.00 C ATOM 943 C ARG A 66 4.974 5.494 4.076 1.00 0.00 C ATOM 944 O ARG A 66 5.659 4.567 3.647 1.00 0.00 O ATOM 945 CB ARG A 66 4.211 5.200 6.440 1.00 0.00 C ATOM 946 CG ARG A 66 3.149 5.702 7.405 1.00 0.00 C ATOM 947 CD ARG A 66 3.355 5.139 8.802 1.00 0.00 C ATOM 948 NE ARG A 66 4.377 5.874 9.543 1.00 0.00 N ATOM 949 CZ ARG A 66 4.215 7.117 9.983 1.00 0.00 C ATOM 950 NH1 ARG A 66 3.077 7.760 9.758 1.00 0.00 N ATOM 951 NH2 ARG A 66 5.191 7.719 10.649 1.00 0.00 N ATOM 0 H ARG A 66 3.741 3.156 4.642 1.00 0.00 H new ATOM 0 HA ARG A 66 3.048 6.030 4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.482 4.180 6.711 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.108 5.809 6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.176 6.791 7.443 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.161 5.420 7.040 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.413 5.175 9.350 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.642 4.090 8.731 1.00 0.00 H new ATOM 0 HE ARG A 66 5.264 5.407 9.733 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.324 7.300 9.246 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.955 8.714 10.097 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.068 7.228 10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.065 8.673 10.986 1.00 0.00 H new ATOM 965 N GLY A 67 5.224 6.769 3.795 1.00 0.00 N ATOM 966 CA GLY A 67 6.344 7.137 2.948 1.00 0.00 C ATOM 967 C GLY A 67 5.999 8.252 1.981 1.00 0.00 C ATOM 968 O GLY A 67 4.923 8.847 2.046 1.00 0.00 O ATOM 0 H GLY A 67 4.671 7.554 4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.181 7.449 3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.673 6.263 2.387 1.00 0.00 H new ATOM 972 N PRO A 68 6.928 8.551 1.060 1.00 0.00 N ATOM 973 CA PRO A 68 6.739 9.604 0.060 1.00 0.00 C ATOM 974 C PRO A 68 5.687 9.236 -0.980 1.00 0.00 C ATOM 975 O PRO A 68 5.832 8.250 -1.703 1.00 0.00 O ATOM 976 CB PRO A 68 8.118 9.723 -0.595 1.00 0.00 C ATOM 977 CG PRO A 68 8.749 8.389 -0.392 1.00 0.00 C ATOM 978 CD PRO A 68 8.233 7.882 0.926 1.00 0.00 C ATOM 0 HA PRO A 68 6.382 10.531 0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.034 9.964 -1.655 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.708 10.515 -0.134 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.488 7.707 -1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.836 8.469 -0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.131 6.797 0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.903 8.140 1.746 1.00 0.00 H new ATOM 986 N SER A 69 4.625 10.033 -1.050 1.00 0.00 N ATOM 987 CA SER A 69 3.546 9.788 -2.000 1.00 0.00 C ATOM 988 C SER A 69 4.102 9.402 -3.367 1.00 0.00 C ATOM 989 O SER A 69 3.678 8.414 -3.966 1.00 0.00 O ATOM 990 CB SER A 69 2.660 11.029 -2.128 1.00 0.00 C ATOM 991 OG SER A 69 3.434 12.181 -2.413 1.00 0.00 O ATOM 0 H SER A 69 4.489 10.854 -0.460 1.00 0.00 H new ATOM 0 HA SER A 69 2.946 8.959 -1.625 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.926 10.876 -2.919 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.104 11.180 -1.202 1.00 0.00 H new ATOM 0 HG SER A 69 2.845 12.960 -2.492 1.00 0.00 H new ATOM 997 N SER A 70 5.055 10.191 -3.855 1.00 0.00 N ATOM 998 CA SER A 70 5.668 9.934 -5.153 1.00 0.00 C ATOM 999 C SER A 70 5.938 8.445 -5.343 1.00 0.00 C ATOM 1000 O SER A 70 5.788 7.910 -6.442 1.00 0.00 O ATOM 1001 CB SER A 70 6.973 10.722 -5.288 1.00 0.00 C ATOM 1002 OG SER A 70 6.734 12.118 -5.243 1.00 0.00 O ATOM 0 H SER A 70 5.419 11.012 -3.372 1.00 0.00 H new ATOM 0 HA SER A 70 4.972 10.260 -5.926 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.656 10.441 -4.486 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.462 10.464 -6.228 1.00 0.00 H new ATOM 0 HG SER A 70 7.584 12.598 -5.330 1.00 0.00 H new ATOM 1008 N ASP A 71 6.336 7.780 -4.263 1.00 0.00 N ATOM 1009 CA ASP A 71 6.627 6.352 -4.309 1.00 0.00 C ATOM 1010 C ASP A 71 5.406 5.536 -3.893 1.00 0.00 C ATOM 1011 O ASP A 71 5.123 4.485 -4.467 1.00 0.00 O ATOM 1012 CB ASP A 71 7.811 6.020 -3.400 1.00 0.00 C ATOM 1013 CG ASP A 71 9.090 6.703 -3.844 1.00 0.00 C ATOM 1014 OD1 ASP A 71 9.614 6.341 -4.918 1.00 0.00 O ATOM 1015 OD2 ASP A 71 9.566 7.600 -3.117 1.00 0.00 O ATOM 0 H ASP A 71 6.464 8.207 -3.346 1.00 0.00 H new ATOM 0 HA ASP A 71 6.884 6.092 -5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.577 6.321 -2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.964 4.941 -3.387 1.00 0.00 H new ATOM 1020 N VAL A 72 4.687 6.028 -2.888 1.00 0.00 N ATOM 1021 CA VAL A 72 3.497 5.344 -2.394 1.00 0.00 C ATOM 1022 C VAL A 72 2.516 5.063 -3.526 1.00 0.00 C ATOM 1023 O VAL A 72 1.858 4.024 -3.546 1.00 0.00 O ATOM 1024 CB VAL A 72 2.787 6.171 -1.306 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.649 5.373 -0.688 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.780 6.612 -0.241 1.00 0.00 C ATOM 0 H VAL A 72 4.908 6.896 -2.401 1.00 0.00 H new ATOM 0 HA VAL A 72 3.829 4.400 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 72 2.364 7.063 -1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.159 5.973 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.927 5.111 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.045 4.463 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.262 7.195 0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.233 5.734 0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.558 7.223 -0.699 1.00 0.00 H new ATOM 1036 N GLU A 73 2.422 5.999 -4.467 1.00 0.00 N ATOM 1037 CA GLU A 73 1.519 5.852 -5.602 1.00 0.00 C ATOM 1038 C GLU A 73 1.823 4.571 -6.376 1.00 0.00 C ATOM 1039 O GLU A 73 0.913 3.855 -6.794 1.00 0.00 O ATOM 1040 CB GLU A 73 1.632 7.061 -6.532 1.00 0.00 C ATOM 1041 CG GLU A 73 2.901 7.071 -7.367 1.00 0.00 C ATOM 1042 CD GLU A 73 2.962 8.247 -8.322 1.00 0.00 C ATOM 1043 OE1 GLU A 73 2.192 8.252 -9.306 1.00 0.00 O ATOM 1044 OE2 GLU A 73 3.778 9.162 -8.086 1.00 0.00 O ATOM 0 H GLU A 73 2.960 6.866 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 73 0.501 5.792 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.769 7.078 -7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.593 7.972 -5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.767 7.100 -6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.965 6.143 -7.935 1.00 0.00 H new ATOM 1051 N LYS A 74 3.108 4.290 -6.564 1.00 0.00 N ATOM 1052 CA LYS A 74 3.533 3.098 -7.286 1.00 0.00 C ATOM 1053 C LYS A 74 3.392 1.854 -6.414 1.00 0.00 C ATOM 1054 O LYS A 74 2.953 0.804 -6.881 1.00 0.00 O ATOM 1055 CB LYS A 74 4.984 3.247 -7.748 1.00 0.00 C ATOM 1056 CG LYS A 74 5.204 4.415 -8.694 1.00 0.00 C ATOM 1057 CD LYS A 74 6.682 4.644 -8.963 1.00 0.00 C ATOM 1058 CE LYS A 74 7.289 5.613 -7.958 1.00 0.00 C ATOM 1059 NZ LYS A 74 8.643 6.069 -8.376 1.00 0.00 N ATOM 0 H LYS A 74 3.874 4.873 -6.226 1.00 0.00 H new ATOM 0 HA LYS A 74 2.890 2.984 -8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.624 3.372 -6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.296 2.327 -8.242 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.687 4.225 -9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.767 5.318 -8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.212 3.693 -8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.813 5.035 -9.972 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.634 6.477 -7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.353 5.131 -6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.022 6.727 -7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.275 5.248 -8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.579 6.551 -9.295 1.00 0.00 H new ATOM 1073 N ALA A 75 3.764 1.981 -5.144 1.00 0.00 N ATOM 1074 CA ALA A 75 3.676 0.869 -4.207 1.00 0.00 C ATOM 1075 C ALA A 75 2.237 0.383 -4.065 1.00 0.00 C ATOM 1076 O ALA A 75 1.987 -0.812 -3.911 1.00 0.00 O ATOM 1077 CB ALA A 75 4.233 1.276 -2.851 1.00 0.00 C ATOM 0 H ALA A 75 4.129 2.844 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 75 4.273 0.046 -4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.161 0.435 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.278 1.568 -2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.660 2.117 -2.460 1.00 0.00 H new ATOM 1083 N LYS A 76 1.294 1.318 -4.120 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.120 0.985 -3.999 1.00 0.00 C ATOM 1085 C LYS A 76 -0.609 0.228 -5.230 1.00 0.00 C ATOM 1086 O LYS A 76 -1.150 -0.872 -5.120 1.00 0.00 O ATOM 1087 CB LYS A 76 -0.949 2.258 -3.808 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.449 2.021 -3.866 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.217 3.330 -3.934 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.593 3.203 -3.299 1.00 0.00 C ATOM 1091 NZ LYS A 76 -5.174 4.532 -2.961 1.00 0.00 N ATOM 0 H LYS A 76 1.484 2.312 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.243 0.343 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.697 2.705 -2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.674 2.980 -4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.689 1.412 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.764 1.458 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.652 4.111 -3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.322 3.638 -4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.261 2.678 -3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.521 2.598 -2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.112 4.402 -2.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.550 5.023 -2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.267 5.101 -3.827 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.412 0.823 -6.401 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.830 0.204 -7.653 1.00 0.00 C ATOM 1107 C LYS A 77 -0.206 -1.179 -7.811 1.00 0.00 C ATOM 1108 O LYS A 77 -0.786 -2.062 -8.443 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.439 1.090 -8.839 1.00 0.00 C ATOM 1110 CG LYS A 77 1.022 0.968 -9.234 1.00 0.00 C ATOM 1111 CD LYS A 77 1.282 1.575 -10.602 1.00 0.00 C ATOM 1112 CE LYS A 77 2.714 1.333 -11.056 1.00 0.00 C ATOM 1113 NZ LYS A 77 2.860 0.027 -11.758 1.00 0.00 N ATOM 0 H LYS A 77 0.035 1.734 -6.509 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.914 0.094 -7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.061 0.831 -9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.654 2.130 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.644 1.466 -8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.312 -0.083 -9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.591 1.147 -11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.086 2.647 -10.569 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.026 2.139 -11.720 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.378 1.357 -10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.850 -0.101 -12.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.587 -0.744 -11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.246 0.013 -12.597 1.00 0.00 H new ATOM 1127 N GLN A 78 0.977 -1.359 -7.232 1.00 0.00 N ATOM 1128 CA GLN A 78 1.678 -2.635 -7.309 1.00 0.00 C ATOM 1129 C GLN A 78 1.018 -3.674 -6.406 1.00 0.00 C ATOM 1130 O GLN A 78 0.916 -4.848 -6.764 1.00 0.00 O ATOM 1131 CB GLN A 78 3.145 -2.460 -6.916 1.00 0.00 C ATOM 1132 CG GLN A 78 3.968 -1.717 -7.957 1.00 0.00 C ATOM 1133 CD GLN A 78 5.192 -1.049 -7.364 1.00 0.00 C ATOM 1134 OE1 GLN A 78 5.275 0.179 -7.303 1.00 0.00 O ATOM 1135 NE2 GLN A 78 6.152 -1.853 -6.922 1.00 0.00 N ATOM 0 H GLN A 78 1.470 -0.638 -6.705 1.00 0.00 H new ATOM 0 HA GLN A 78 1.625 -2.988 -8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.198 -1.921 -5.970 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.587 -3.442 -6.748 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.280 -2.415 -8.734 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.344 -0.963 -8.438 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.042 -2.865 -6.992 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.999 -1.459 -6.513 1.00 0.00 H new ATOM 1144 N LEU A 79 0.573 -3.234 -5.235 1.00 0.00 N ATOM 1145 CA LEU A 79 -0.076 -4.124 -4.279 1.00 0.00 C ATOM 1146 C LEU A 79 -1.442 -4.570 -4.792 1.00 0.00 C ATOM 1147 O LEU A 79 -1.832 -5.726 -4.625 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.230 -3.429 -2.926 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.189 -4.337 -1.696 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.238 -4.486 -1.191 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.091 -3.791 -0.598 1.00 0.00 C ATOM 0 H LEU A 79 0.650 -2.266 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 79 0.553 -5.006 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.561 -2.685 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.177 -2.889 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.557 -5.322 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.248 -5.135 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.857 -4.923 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.632 -3.506 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.049 -4.450 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.754 -2.794 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.117 -3.737 -0.963 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.163 -3.648 -5.419 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.484 -3.945 -5.960 1.00 0.00 C ATOM 1165 C LEU A 80 -3.405 -5.035 -7.024 1.00 0.00 C ATOM 1166 O LEU A 80 -4.092 -6.054 -6.937 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.112 -2.682 -6.553 1.00 0.00 C ATOM 1168 CG LEU A 80 -4.947 -1.833 -5.593 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -4.064 -0.847 -4.845 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -6.047 -1.102 -6.348 1.00 0.00 C ATOM 0 H LEU A 80 -1.854 -2.687 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.110 -4.305 -5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.314 -2.059 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.744 -2.974 -7.392 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.413 -2.496 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.676 -0.252 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.314 -1.392 -4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.568 -0.189 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.631 -0.503 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.601 -0.451 -7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.698 -1.828 -6.836 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.561 -4.814 -8.027 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.389 -5.780 -9.107 1.00 0.00 C ATOM 1184 C HIS A 81 -2.088 -7.168 -8.553 1.00 0.00 C ATOM 1185 O HIS A 81 -2.781 -8.138 -8.866 1.00 0.00 O ATOM 1186 CB HIS A 81 -1.262 -5.336 -10.041 1.00 0.00 C ATOM 1187 CG HIS A 81 -1.325 -5.969 -11.397 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -2.492 -6.083 -12.122 1.00 0.00 N ATOM 1189 CD2 HIS A 81 -0.354 -6.523 -12.161 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -2.237 -6.680 -13.272 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.947 -6.958 -13.321 1.00 0.00 N ATOM 0 H HIS A 81 -1.986 -3.976 -8.115 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.321 -5.828 -9.670 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.299 -4.252 -10.153 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.304 -5.576 -9.581 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.692 -6.607 -11.906 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.961 -6.903 -14.042 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.469 -7.420 -14.094 1.00 0.00 H new ATOM 1199 N LEU A 82 -1.051 -7.259 -7.727 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.658 -8.530 -7.128 1.00 0.00 C ATOM 1201 C LEU A 82 -1.838 -9.186 -6.419 1.00 0.00 C ATOM 1202 O LEU A 82 -2.271 -10.277 -6.793 1.00 0.00 O ATOM 1203 CB LEU A 82 0.491 -8.317 -6.141 1.00 0.00 C ATOM 1204 CG LEU A 82 1.766 -7.701 -6.717 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.622 -7.111 -5.608 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.551 -8.740 -7.504 1.00 0.00 C ATOM 0 H LEU A 82 -0.467 -6.468 -7.457 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.325 -9.192 -7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.135 -7.677 -5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.745 -9.280 -5.697 1.00 0.00 H new ATOM 0 HG LEU A 82 1.484 -6.897 -7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.525 -6.677 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.059 -6.336 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.896 -7.896 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.455 -8.284 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.823 -9.566 -6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.938 -9.115 -8.323 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.355 -8.514 -5.396 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.489 -9.030 -4.638 1.00 0.00 C ATOM 1220 C ALA A 83 -4.441 -9.811 -5.537 1.00 0.00 C ATOM 1221 O ALA A 83 -4.902 -10.893 -5.176 1.00 0.00 O ATOM 1222 CB ALA A 83 -4.225 -7.891 -3.949 1.00 0.00 C ATOM 0 H ALA A 83 -2.007 -7.611 -5.073 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.107 -9.713 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.069 -8.291 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.546 -7.378 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.588 -7.187 -4.698 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.731 -9.254 -6.709 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.631 -9.900 -7.658 1.00 0.00 C ATOM 1230 C GLU A 84 -4.934 -11.057 -8.367 1.00 0.00 C ATOM 1231 O GLU A 84 -5.473 -12.159 -8.455 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.134 -8.886 -8.688 1.00 0.00 C ATOM 1233 CG GLU A 84 -6.684 -7.612 -8.069 1.00 0.00 C ATOM 1234 CD GLU A 84 -7.712 -6.931 -8.951 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -8.660 -7.615 -9.393 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -7.570 -5.716 -9.201 1.00 0.00 O ATOM 0 H GLU A 84 -4.357 -8.359 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.481 -10.296 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.317 -8.629 -9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.912 -9.351 -9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.136 -7.847 -7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.862 -6.922 -7.876 1.00 0.00 H new ATOM 1243 N GLU A 85 -3.732 -10.798 -8.871 1.00 0.00 N ATOM 1244 CA GLU A 85 -2.962 -11.817 -9.575 1.00 0.00 C ATOM 1245 C GLU A 85 -2.978 -13.136 -8.807 1.00 0.00 C ATOM 1246 O GLU A 85 -3.466 -14.152 -9.304 1.00 0.00 O ATOM 1247 CB GLU A 85 -1.519 -11.350 -9.777 1.00 0.00 C ATOM 1248 CG GLU A 85 -1.342 -10.419 -10.964 1.00 0.00 C ATOM 1249 CD GLU A 85 -1.059 -11.166 -12.254 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -0.012 -11.844 -12.327 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -1.881 -11.072 -13.187 1.00 0.00 O ATOM 0 H GLU A 85 -3.270 -9.891 -8.805 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.424 -11.977 -10.549 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.180 -10.842 -8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.879 -12.222 -9.911 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.243 -9.818 -11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.523 -9.729 -10.761 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.440 -13.113 -7.592 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.393 -14.305 -6.753 1.00 0.00 C ATOM 1260 C LYS A 86 -3.799 -14.760 -6.374 1.00 0.00 C ATOM 1261 O LYS A 86 -4.032 -15.944 -6.132 1.00 0.00 O ATOM 1262 CB LYS A 86 -1.576 -14.032 -5.488 1.00 0.00 C ATOM 1263 CG LYS A 86 -0.076 -14.015 -5.725 1.00 0.00 C ATOM 1264 CD LYS A 86 0.365 -12.740 -6.424 1.00 0.00 C ATOM 1265 CE LYS A 86 1.825 -12.422 -6.137 1.00 0.00 C ATOM 1266 NZ LYS A 86 2.745 -13.231 -6.983 1.00 0.00 N ATOM 0 H LYS A 86 -2.030 -12.282 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.914 -15.101 -7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.880 -13.073 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.809 -14.793 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.445 -14.107 -4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.208 -14.878 -6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.219 -12.844 -7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.260 -11.909 -6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.007 -11.362 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.038 -12.611 -5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.730 -12.985 -6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.589 -14.242 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.559 -13.031 -7.987 1.00 0.00 H new ATOM 1280 N GLN A 87 -4.730 -13.814 -6.326 1.00 0.00 N ATOM 1281 CA GLN A 87 -6.112 -14.119 -5.978 1.00 0.00 C ATOM 1282 C GLN A 87 -6.852 -14.726 -7.165 1.00 0.00 C ATOM 1283 O GLN A 87 -7.421 -14.009 -7.990 1.00 0.00 O ATOM 1284 CB GLN A 87 -6.833 -12.856 -5.505 1.00 0.00 C ATOM 1285 CG GLN A 87 -8.307 -13.072 -5.202 1.00 0.00 C ATOM 1286 CD GLN A 87 -9.188 -12.875 -6.419 1.00 0.00 C ATOM 1287 OE1 GLN A 87 -9.828 -13.812 -6.896 1.00 0.00 O ATOM 1288 NE2 GLN A 87 -9.227 -11.648 -6.929 1.00 0.00 N ATOM 0 H GLN A 87 -4.552 -12.829 -6.524 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.102 -14.848 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.338 -12.479 -4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.737 -12.085 -6.270 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.450 -14.081 -4.814 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.618 -12.382 -4.418 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.680 -10.900 -6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.804 -11.454 -7.748 1.00 0.00 H new ATOM 1297 N THR A 88 -6.840 -16.053 -7.249 1.00 0.00 N ATOM 1298 CA THR A 88 -7.508 -16.757 -8.337 1.00 0.00 C ATOM 1299 C THR A 88 -8.750 -17.487 -7.839 1.00 0.00 C ATOM 1300 O THR A 88 -8.652 -18.510 -7.161 1.00 0.00 O ATOM 1301 CB THR A 88 -6.566 -17.772 -9.011 1.00 0.00 C ATOM 1302 OG1 THR A 88 -5.323 -17.141 -9.342 1.00 0.00 O ATOM 1303 CG2 THR A 88 -7.200 -18.346 -10.269 1.00 0.00 C ATOM 0 H THR A 88 -6.375 -16.662 -6.576 1.00 0.00 H new ATOM 0 HA THR A 88 -7.801 -16.003 -9.068 1.00 0.00 H new ATOM 0 HB THR A 88 -6.384 -18.587 -8.311 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.729 -17.793 -9.769 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.516 -19.060 -10.728 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.131 -18.850 -10.010 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.408 -17.540 -10.972 1.00 0.00 H new ATOM 1311 N LYS A 89 -9.919 -16.955 -8.179 1.00 0.00 N ATOM 1312 CA LYS A 89 -11.182 -17.557 -7.767 1.00 0.00 C ATOM 1313 C LYS A 89 -11.571 -18.697 -8.703 1.00 0.00 C ATOM 1314 O LYS A 89 -11.080 -18.784 -9.828 1.00 0.00 O ATOM 1315 CB LYS A 89 -12.291 -16.501 -7.745 1.00 0.00 C ATOM 1316 CG LYS A 89 -13.414 -16.820 -6.775 1.00 0.00 C ATOM 1317 CD LYS A 89 -14.251 -15.590 -6.467 1.00 0.00 C ATOM 1318 CE LYS A 89 -15.269 -15.319 -7.563 1.00 0.00 C ATOM 1319 NZ LYS A 89 -15.573 -13.868 -7.693 1.00 0.00 N ATOM 0 H LYS A 89 -10.018 -16.108 -8.739 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.053 -17.961 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.857 -15.536 -7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.706 -16.401 -8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.050 -17.598 -7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.995 -17.217 -5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.766 -15.728 -5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.599 -14.724 -6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.889 -15.697 -8.512 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.188 -15.864 -7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.271 -13.726 -8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.959 -13.512 -6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.701 -13.350 -7.924 1.00 0.00 H new ATOM 1333 N SER A 90 -12.457 -19.569 -8.230 1.00 0.00 N ATOM 1334 CA SER A 90 -12.909 -20.705 -9.023 1.00 0.00 C ATOM 1335 C SER A 90 -13.290 -20.265 -10.434 1.00 0.00 C ATOM 1336 O SER A 90 -13.984 -19.267 -10.620 1.00 0.00 O ATOM 1337 CB SER A 90 -14.104 -21.381 -8.348 1.00 0.00 C ATOM 1338 OG SER A 90 -14.473 -22.566 -9.033 1.00 0.00 O ATOM 0 H SER A 90 -12.875 -19.510 -7.302 1.00 0.00 H new ATOM 0 HA SER A 90 -12.088 -21.418 -9.092 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.856 -21.618 -7.313 1.00 0.00 H new ATOM 0 HB3 SER A 90 -14.949 -20.693 -8.324 1.00 0.00 H new ATOM 0 HG SER A 90 -15.238 -22.980 -8.581 1.00 0.00 H new ATOM 1344 N GLY A 91 -12.828 -21.019 -11.427 1.00 0.00 N ATOM 1345 CA GLY A 91 -13.129 -20.693 -12.809 1.00 0.00 C ATOM 1346 C GLY A 91 -13.626 -21.891 -13.593 1.00 0.00 C ATOM 1347 O GLY A 91 -14.828 -22.082 -13.780 1.00 0.00 O ATOM 0 H GLY A 91 -12.251 -21.850 -11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.883 -19.906 -12.837 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -12.235 -20.295 -13.288 1.00 0.00 H new ATOM 1351 N PRO A 92 -12.687 -22.723 -14.068 1.00 0.00 N ATOM 1352 CA PRO A 92 -13.013 -23.923 -14.844 1.00 0.00 C ATOM 1353 C PRO A 92 -13.678 -25.001 -13.995 1.00 0.00 C ATOM 1354 O PRO A 92 -14.615 -25.663 -14.440 1.00 0.00 O ATOM 1355 CB PRO A 92 -11.649 -24.402 -15.346 1.00 0.00 C ATOM 1356 CG PRO A 92 -10.673 -23.870 -14.354 1.00 0.00 C ATOM 1357 CD PRO A 92 -11.236 -22.557 -13.883 1.00 0.00 C ATOM 0 HA PRO A 92 -13.726 -23.711 -15.641 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.606 -25.490 -15.399 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.441 -24.025 -16.347 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.547 -24.562 -13.521 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.691 -23.734 -14.807 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.983 -22.362 -12.841 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.849 -21.721 -14.466 1.00 0.00 H new ATOM 1365 N SER A 93 -13.188 -25.170 -12.772 1.00 0.00 N ATOM 1366 CA SER A 93 -13.732 -26.170 -11.862 1.00 0.00 C ATOM 1367 C SER A 93 -15.090 -25.730 -11.321 1.00 0.00 C ATOM 1368 O SER A 93 -15.170 -25.026 -10.314 1.00 0.00 O ATOM 1369 CB SER A 93 -12.765 -26.418 -10.703 1.00 0.00 C ATOM 1370 OG SER A 93 -11.505 -26.861 -11.176 1.00 0.00 O ATOM 0 H SER A 93 -12.415 -24.627 -12.388 1.00 0.00 H new ATOM 0 HA SER A 93 -13.864 -27.098 -12.419 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.639 -25.501 -10.128 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.186 -27.163 -10.027 1.00 0.00 H new ATOM 0 HG SER A 93 -10.905 -27.011 -10.416 1.00 0.00 H new ATOM 1376 N SER A 94 -16.154 -26.151 -11.997 1.00 0.00 N ATOM 1377 CA SER A 94 -17.509 -25.798 -11.587 1.00 0.00 C ATOM 1378 C SER A 94 -18.176 -26.960 -10.857 1.00 0.00 C ATOM 1379 O SER A 94 -17.716 -28.098 -10.928 1.00 0.00 O ATOM 1380 CB SER A 94 -18.344 -25.399 -12.805 1.00 0.00 C ATOM 1381 OG SER A 94 -18.616 -26.521 -13.627 1.00 0.00 O ATOM 0 H SER A 94 -16.105 -26.737 -12.831 1.00 0.00 H new ATOM 0 HA SER A 94 -17.447 -24.951 -10.904 1.00 0.00 H new ATOM 0 HB2 SER A 94 -19.281 -24.950 -12.476 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.813 -24.642 -13.382 1.00 0.00 H new ATOM 0 HG SER A 94 -19.152 -26.240 -14.397 1.00 0.00 H new ATOM 1387 N GLY A 95 -19.265 -26.661 -10.154 1.00 0.00 N ATOM 1388 CA GLY A 95 -19.978 -27.691 -9.421 1.00 0.00 C ATOM 1389 C GLY A 95 -20.251 -27.295 -7.983 1.00 0.00 C ATOM 1390 O GLY A 95 -20.564 -26.138 -7.700 1.00 0.00 O ATOM 0 H GLY A 95 -19.665 -25.726 -10.079 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.923 -27.902 -9.922 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.396 -28.613 -9.437 1.00 0.00 H new TER 1394 GLY A 95