USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 720 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00734 USER MOD Single : A 6 SER OG : rot 27:sc= 0.0909 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.662 K(o=-0.66,f=-1.6) USER MOD Single : A 11 ASN : amide:sc= -2.47! C(o=-2.5!,f=-3.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 165:sc= 0 (180deg=-0.476) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0359) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.217 K(o=-0.22,f=-2.1!) USER MOD Single : A 21 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -1.18 F(o=-3.3!,f=-1.2) USER MOD Single : A 34 ASN : amide:sc= -3.93! C(o=-3.9!,f=-4.4!) USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= -0.0544 (180deg=-0.325) USER MOD Single : A 39 SER OG : rot 180:sc= -0.124 USER MOD Single : A 44 TYR OH : rot 130:sc= -1.93 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -58:sc= 0.44 USER MOD Single : A 47 ASN : amide:sc= -0.863 X(o=-0.86,f=-0.92) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -6.02! C(o=-6!,f=-6.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.0905 X(o=0.09,f=-0.049) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= -0.212 (180deg=-0.937) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.312) USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= -2.67! (180deg=-2.67!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0664) USER MOD Single : A 77 LYS NZ :NH3+ -138:sc= -1.3! (180deg=-2.75!) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= -0.0117 (180deg=-0.546) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 142:sc= -1.58 (180deg=-6!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 43:sc= 0.543 USER MOD Single : A 90 SER OG : rot 38:sc= 0.586 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.842 8.917 -29.570 1.00 0.00 N ATOM 2 CA GLY A 1 38.595 9.580 -29.899 1.00 0.00 C ATOM 3 C GLY A 1 38.800 10.796 -30.781 1.00 0.00 C ATOM 4 O GLY A 1 39.339 11.809 -30.337 1.00 0.00 O ATOM 0 H1 GLY A 1 39.648 8.093 -28.966 1.00 0.00 H new ATOM 0 H2 GLY A 1 40.310 8.603 -30.444 1.00 0.00 H new ATOM 0 H3 GLY A 1 40.464 9.579 -29.063 1.00 0.00 H new ATOM 0 HA2 GLY A 1 37.935 8.875 -30.405 1.00 0.00 H new ATOM 0 HA3 GLY A 1 38.094 9.882 -28.979 1.00 0.00 H new ATOM 8 N SER A 2 38.370 10.695 -32.035 1.00 0.00 N ATOM 9 CA SER A 2 38.514 11.793 -32.983 1.00 0.00 C ATOM 10 C SER A 2 37.346 12.768 -32.868 1.00 0.00 C ATOM 11 O SER A 2 37.543 13.971 -32.700 1.00 0.00 O ATOM 12 CB SER A 2 38.603 11.252 -34.412 1.00 0.00 C ATOM 13 OG SER A 2 38.450 12.293 -35.361 1.00 0.00 O ATOM 0 H SER A 2 37.919 9.864 -32.418 1.00 0.00 H new ATOM 0 HA SER A 2 39.434 12.327 -32.746 1.00 0.00 H new ATOM 0 HB2 SER A 2 39.564 10.760 -34.559 1.00 0.00 H new ATOM 0 HB3 SER A 2 37.832 10.498 -34.567 1.00 0.00 H new ATOM 0 HG SER A 2 38.512 11.922 -36.266 1.00 0.00 H new ATOM 19 N SER A 3 36.131 12.238 -32.959 1.00 0.00 N ATOM 20 CA SER A 3 34.930 13.061 -32.868 1.00 0.00 C ATOM 21 C SER A 3 34.621 13.414 -31.417 1.00 0.00 C ATOM 22 O SER A 3 35.201 12.846 -30.491 1.00 0.00 O ATOM 23 CB SER A 3 33.738 12.331 -33.492 1.00 0.00 C ATOM 24 OG SER A 3 33.822 12.335 -34.907 1.00 0.00 O ATOM 0 H SER A 3 35.952 11.243 -33.096 1.00 0.00 H new ATOM 0 HA SER A 3 35.110 13.985 -33.417 1.00 0.00 H new ATOM 0 HB2 SER A 3 33.706 11.304 -33.129 1.00 0.00 H new ATOM 0 HB3 SER A 3 32.810 12.809 -33.178 1.00 0.00 H new ATOM 0 HG SER A 3 33.050 11.861 -35.282 1.00 0.00 H new ATOM 30 N GLY A 4 33.704 14.357 -31.226 1.00 0.00 N ATOM 31 CA GLY A 4 33.333 14.771 -29.885 1.00 0.00 C ATOM 32 C GLY A 4 31.871 15.157 -29.781 1.00 0.00 C ATOM 33 O GLY A 4 31.544 16.270 -29.370 1.00 0.00 O ATOM 0 H GLY A 4 33.211 14.842 -31.976 1.00 0.00 H new ATOM 0 HA2 GLY A 4 33.542 13.960 -29.187 1.00 0.00 H new ATOM 0 HA3 GLY A 4 33.951 15.617 -29.585 1.00 0.00 H new ATOM 37 N SER A 5 30.989 14.236 -30.155 1.00 0.00 N ATOM 38 CA SER A 5 29.554 14.488 -30.106 1.00 0.00 C ATOM 39 C SER A 5 29.117 14.873 -28.696 1.00 0.00 C ATOM 40 O SER A 5 29.884 14.749 -27.741 1.00 0.00 O ATOM 41 CB SER A 5 28.782 13.251 -30.572 1.00 0.00 C ATOM 42 OG SER A 5 27.432 13.572 -30.861 1.00 0.00 O ATOM 0 H SER A 5 31.243 13.309 -30.495 1.00 0.00 H new ATOM 0 HA SER A 5 29.333 15.320 -30.775 1.00 0.00 H new ATOM 0 HB2 SER A 5 29.258 12.834 -31.460 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.819 12.483 -29.800 1.00 0.00 H new ATOM 0 HG SER A 5 26.960 12.766 -31.158 1.00 0.00 H new ATOM 48 N SER A 6 27.879 15.341 -28.575 1.00 0.00 N ATOM 49 CA SER A 6 27.340 15.749 -27.282 1.00 0.00 C ATOM 50 C SER A 6 27.732 14.756 -26.192 1.00 0.00 C ATOM 51 O SER A 6 27.548 13.549 -26.341 1.00 0.00 O ATOM 52 CB SER A 6 25.816 15.867 -27.356 1.00 0.00 C ATOM 53 OG SER A 6 25.219 14.609 -27.618 1.00 0.00 O ATOM 0 H SER A 6 27.231 15.447 -29.355 1.00 0.00 H new ATOM 0 HA SER A 6 27.761 16.722 -27.031 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.433 16.266 -26.417 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.540 16.574 -28.139 1.00 0.00 H new ATOM 0 HG SER A 6 25.800 13.895 -27.282 1.00 0.00 H new ATOM 59 N GLY A 7 28.274 15.275 -25.095 1.00 0.00 N ATOM 60 CA GLY A 7 28.684 14.422 -23.995 1.00 0.00 C ATOM 61 C GLY A 7 27.504 13.826 -23.253 1.00 0.00 C ATOM 62 O GLY A 7 27.076 12.710 -23.548 1.00 0.00 O ATOM 0 H GLY A 7 28.437 16.271 -24.948 1.00 0.00 H new ATOM 0 HA2 GLY A 7 29.313 13.618 -24.378 1.00 0.00 H new ATOM 0 HA3 GLY A 7 29.293 14.999 -23.299 1.00 0.00 H new ATOM 66 N ASP A 8 26.979 14.570 -22.286 1.00 0.00 N ATOM 67 CA ASP A 8 25.842 14.108 -21.498 1.00 0.00 C ATOM 68 C ASP A 8 24.793 15.207 -21.361 1.00 0.00 C ATOM 69 O ASP A 8 25.100 16.392 -21.496 1.00 0.00 O ATOM 70 CB ASP A 8 26.305 13.652 -20.113 1.00 0.00 C ATOM 71 CG ASP A 8 26.671 14.816 -19.214 1.00 0.00 C ATOM 72 OD1 ASP A 8 27.227 15.810 -19.726 1.00 0.00 O ATOM 73 OD2 ASP A 8 26.402 14.732 -17.997 1.00 0.00 O ATOM 0 H ASP A 8 27.322 15.495 -22.029 1.00 0.00 H new ATOM 0 HA ASP A 8 25.391 13.263 -22.018 1.00 0.00 H new ATOM 0 HB2 ASP A 8 25.514 13.068 -19.643 1.00 0.00 H new ATOM 0 HB3 ASP A 8 27.167 12.994 -20.220 1.00 0.00 H new ATOM 78 N SER A 9 23.554 14.806 -21.094 1.00 0.00 N ATOM 79 CA SER A 9 22.459 15.757 -20.944 1.00 0.00 C ATOM 80 C SER A 9 22.518 16.444 -19.583 1.00 0.00 C ATOM 81 O SER A 9 23.424 16.193 -18.789 1.00 0.00 O ATOM 82 CB SER A 9 21.113 15.048 -21.112 1.00 0.00 C ATOM 83 OG SER A 9 20.786 14.894 -22.482 1.00 0.00 O ATOM 0 H SER A 9 23.284 13.829 -20.977 1.00 0.00 H new ATOM 0 HA SER A 9 22.561 16.516 -21.719 1.00 0.00 H new ATOM 0 HB2 SER A 9 21.151 14.070 -20.632 1.00 0.00 H new ATOM 0 HB3 SER A 9 20.332 15.620 -20.610 1.00 0.00 H new ATOM 0 HG SER A 9 19.923 14.437 -22.563 1.00 0.00 H new ATOM 89 N GLN A 10 21.545 17.311 -19.322 1.00 0.00 N ATOM 90 CA GLN A 10 21.487 18.035 -18.057 1.00 0.00 C ATOM 91 C GLN A 10 20.454 17.414 -17.122 1.00 0.00 C ATOM 92 O GLN A 10 20.577 17.501 -15.901 1.00 0.00 O ATOM 93 CB GLN A 10 21.151 19.507 -18.303 1.00 0.00 C ATOM 94 CG GLN A 10 19.711 19.739 -18.731 1.00 0.00 C ATOM 95 CD GLN A 10 19.504 19.536 -20.219 1.00 0.00 C ATOM 96 OE1 GLN A 10 18.933 18.533 -20.647 1.00 0.00 O ATOM 97 NE2 GLN A 10 19.969 20.491 -21.017 1.00 0.00 N ATOM 0 H GLN A 10 20.787 17.529 -19.969 1.00 0.00 H new ATOM 0 HA GLN A 10 22.466 17.968 -17.583 1.00 0.00 H new ATOM 0 HB2 GLN A 10 21.346 20.073 -17.392 1.00 0.00 H new ATOM 0 HB3 GLN A 10 21.817 19.900 -19.071 1.00 0.00 H new ATOM 0 HG2 GLN A 10 19.059 19.060 -18.181 1.00 0.00 H new ATOM 0 HG3 GLN A 10 19.415 20.753 -18.462 1.00 0.00 H new ATOM 0 HE21 GLN A 10 20.436 21.306 -20.619 1.00 0.00 H new ATOM 0 HE22 GLN A 10 19.859 20.410 -22.028 1.00 0.00 H new ATOM 106 N ASN A 11 19.436 16.789 -17.705 1.00 0.00 N ATOM 107 CA ASN A 11 18.380 16.155 -16.923 1.00 0.00 C ATOM 108 C ASN A 11 17.445 15.352 -17.822 1.00 0.00 C ATOM 109 O ASN A 11 16.801 15.903 -18.714 1.00 0.00 O ATOM 110 CB ASN A 11 17.584 17.210 -16.152 1.00 0.00 C ATOM 111 CG ASN A 11 16.452 17.795 -16.975 1.00 0.00 C ATOM 112 OD1 ASN A 11 15.426 17.149 -17.186 1.00 0.00 O ATOM 113 ND2 ASN A 11 16.635 19.024 -17.443 1.00 0.00 N ATOM 0 H ASN A 11 19.320 16.708 -18.715 1.00 0.00 H new ATOM 0 HA ASN A 11 18.847 15.472 -16.213 1.00 0.00 H new ATOM 0 HB2 ASN A 11 17.177 16.763 -15.245 1.00 0.00 H new ATOM 0 HB3 ASN A 11 18.254 18.011 -15.840 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.908 19.470 -18.003 1.00 0.00 H new ATOM 0 HD22 ASN A 11 17.502 19.522 -17.243 1.00 0.00 H new ATOM 120 N ALA A 12 17.376 14.047 -17.580 1.00 0.00 N ATOM 121 CA ALA A 12 16.518 13.169 -18.365 1.00 0.00 C ATOM 122 C ALA A 12 15.084 13.193 -17.845 1.00 0.00 C ATOM 123 O ALA A 12 14.133 13.247 -18.623 1.00 0.00 O ATOM 124 CB ALA A 12 17.062 11.748 -18.351 1.00 0.00 C ATOM 0 H ALA A 12 17.904 13.575 -16.846 1.00 0.00 H new ATOM 0 HA ALA A 12 16.511 13.534 -19.392 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.411 11.103 -18.941 1.00 0.00 H new ATOM 0 HB2 ALA A 12 18.065 11.738 -18.777 1.00 0.00 H new ATOM 0 HB3 ALA A 12 17.100 11.383 -17.325 1.00 0.00 H new ATOM 130 N GLY A 13 14.938 13.152 -16.524 1.00 0.00 N ATOM 131 CA GLY A 13 13.617 13.169 -15.924 1.00 0.00 C ATOM 132 C GLY A 13 13.385 11.990 -15.001 1.00 0.00 C ATOM 133 O GLY A 13 12.958 10.922 -15.440 1.00 0.00 O ATOM 0 H GLY A 13 15.710 13.107 -15.859 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.487 14.095 -15.365 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.863 13.164 -16.712 1.00 0.00 H new ATOM 137 N LYS A 14 13.667 12.181 -13.716 1.00 0.00 N ATOM 138 CA LYS A 14 13.487 11.125 -12.727 1.00 0.00 C ATOM 139 C LYS A 14 12.329 11.449 -11.789 1.00 0.00 C ATOM 140 O LYS A 14 12.124 12.605 -11.419 1.00 0.00 O ATOM 141 CB LYS A 14 14.772 10.929 -11.920 1.00 0.00 C ATOM 142 CG LYS A 14 14.826 9.609 -11.171 1.00 0.00 C ATOM 143 CD LYS A 14 16.181 9.391 -10.520 1.00 0.00 C ATOM 144 CE LYS A 14 17.139 8.669 -11.455 1.00 0.00 C ATOM 145 NZ LYS A 14 18.561 8.985 -11.144 1.00 0.00 N ATOM 0 H LYS A 14 14.021 13.058 -13.335 1.00 0.00 H new ATOM 0 HA LYS A 14 13.254 10.202 -13.257 1.00 0.00 H new ATOM 0 HB2 LYS A 14 15.627 10.990 -12.594 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.870 11.746 -11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.048 9.591 -10.408 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.616 8.790 -11.860 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.607 10.352 -10.233 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.057 8.811 -9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.981 7.593 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.922 8.950 -12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 19.182 8.474 -11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.719 10.008 -11.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.776 8.694 -10.169 1.00 0.00 H new ATOM 159 N MET A 15 11.576 10.422 -11.408 1.00 0.00 N ATOM 160 CA MET A 15 10.441 10.599 -10.511 1.00 0.00 C ATOM 161 C MET A 15 10.878 11.248 -9.201 1.00 0.00 C ATOM 162 O MET A 15 11.862 10.832 -8.589 1.00 0.00 O ATOM 163 CB MET A 15 9.772 9.252 -10.228 1.00 0.00 C ATOM 164 CG MET A 15 10.641 8.300 -9.422 1.00 0.00 C ATOM 165 SD MET A 15 10.104 6.584 -9.562 1.00 0.00 S ATOM 166 CE MET A 15 9.279 6.359 -7.988 1.00 0.00 C ATOM 0 H MET A 15 11.732 9.459 -11.707 1.00 0.00 H new ATOM 0 HA MET A 15 9.723 11.258 -11.000 1.00 0.00 H new ATOM 0 HB2 MET A 15 8.840 9.424 -9.690 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.511 8.779 -11.175 1.00 0.00 H new ATOM 0 HG2 MET A 15 11.674 8.382 -9.760 1.00 0.00 H new ATOM 0 HG3 MET A 15 10.624 8.598 -8.374 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.669 5.456 -8.023 1.00 0.00 H new ATOM 0 HE2 MET A 15 10.023 6.264 -7.197 1.00 0.00 H new ATOM 0 HE3 MET A 15 8.642 7.220 -7.785 1.00 0.00 H new ATOM 176 N LYS A 16 10.142 12.269 -8.777 1.00 0.00 N ATOM 177 CA LYS A 16 10.453 12.976 -7.540 1.00 0.00 C ATOM 178 C LYS A 16 9.224 13.065 -6.641 1.00 0.00 C ATOM 179 O LYS A 16 8.334 13.882 -6.869 1.00 0.00 O ATOM 180 CB LYS A 16 10.975 14.381 -7.848 1.00 0.00 C ATOM 181 CG LYS A 16 11.886 14.941 -6.770 1.00 0.00 C ATOM 182 CD LYS A 16 11.092 15.468 -5.587 1.00 0.00 C ATOM 183 CE LYS A 16 11.922 16.415 -4.735 1.00 0.00 C ATOM 184 NZ LYS A 16 12.068 17.753 -5.373 1.00 0.00 N ATOM 0 H LYS A 16 9.325 12.626 -9.272 1.00 0.00 H new ATOM 0 HA LYS A 16 11.226 12.415 -7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.516 14.359 -8.794 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.127 15.053 -7.981 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.572 14.164 -6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.494 15.743 -7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.202 15.985 -5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.750 14.633 -4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.454 16.528 -3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.909 15.983 -4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.537 18.404 -4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.641 17.665 -6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.128 18.126 -5.617 1.00 0.00 H new ATOM 198 N GLY A 17 9.183 12.218 -5.616 1.00 0.00 N ATOM 199 CA GLY A 17 8.060 12.219 -4.698 1.00 0.00 C ATOM 200 C GLY A 17 8.337 13.024 -3.443 1.00 0.00 C ATOM 201 O GLY A 17 9.148 12.624 -2.608 1.00 0.00 O ATOM 0 H GLY A 17 9.908 11.532 -5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.184 12.627 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.820 11.192 -4.422 1.00 0.00 H new ATOM 205 N SER A 18 7.664 14.162 -3.311 1.00 0.00 N ATOM 206 CA SER A 18 7.846 15.028 -2.152 1.00 0.00 C ATOM 207 C SER A 18 7.868 14.213 -0.863 1.00 0.00 C ATOM 208 O SER A 18 8.511 14.594 0.115 1.00 0.00 O ATOM 209 CB SER A 18 6.731 16.073 -2.090 1.00 0.00 C ATOM 210 OG SER A 18 5.454 15.459 -2.130 1.00 0.00 O ATOM 0 H SER A 18 6.987 14.506 -3.992 1.00 0.00 H new ATOM 0 HA SER A 18 8.805 15.536 -2.256 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.828 16.659 -1.176 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.831 16.766 -2.925 1.00 0.00 H new ATOM 0 HG SER A 18 4.758 16.148 -2.087 1.00 0.00 H new ATOM 216 N ASP A 19 7.160 13.089 -0.869 1.00 0.00 N ATOM 217 CA ASP A 19 7.098 12.218 0.298 1.00 0.00 C ATOM 218 C ASP A 19 8.029 11.020 0.133 1.00 0.00 C ATOM 219 O ASP A 19 8.316 10.594 -0.984 1.00 0.00 O ATOM 220 CB ASP A 19 5.664 11.737 0.527 1.00 0.00 C ATOM 221 CG ASP A 19 4.929 11.470 -0.772 1.00 0.00 C ATOM 222 OD1 ASP A 19 5.569 10.979 -1.726 1.00 0.00 O ATOM 223 OD2 ASP A 19 3.714 11.751 -0.834 1.00 0.00 O ATOM 0 H ASP A 19 6.621 12.760 -1.670 1.00 0.00 H new ATOM 0 HA ASP A 19 7.424 12.792 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.680 10.826 1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.120 12.486 1.102 1.00 0.00 H new ATOM 228 N ASN A 20 8.497 10.482 1.255 1.00 0.00 N ATOM 229 CA ASN A 20 9.397 9.335 1.234 1.00 0.00 C ATOM 230 C ASN A 20 8.623 8.033 1.416 1.00 0.00 C ATOM 231 O ASN A 20 8.993 6.998 0.863 1.00 0.00 O ATOM 232 CB ASN A 20 10.454 9.470 2.332 1.00 0.00 C ATOM 233 CG ASN A 20 10.933 10.899 2.502 1.00 0.00 C ATOM 234 OD1 ASN A 20 10.184 11.767 2.952 1.00 0.00 O ATOM 235 ND2 ASN A 20 12.185 11.150 2.140 1.00 0.00 N ATOM 0 H ASN A 20 8.268 10.822 2.189 1.00 0.00 H new ATOM 0 HA ASN A 20 9.892 9.311 0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.041 9.114 3.276 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.304 8.831 2.094 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.562 12.093 2.230 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.770 10.400 1.772 1.00 0.00 H new ATOM 242 N GLN A 21 7.547 8.094 2.193 1.00 0.00 N ATOM 243 CA GLN A 21 6.720 6.920 2.447 1.00 0.00 C ATOM 244 C GLN A 21 6.378 6.204 1.145 1.00 0.00 C ATOM 245 O GLN A 21 6.574 4.995 1.021 1.00 0.00 O ATOM 246 CB GLN A 21 5.436 7.322 3.175 1.00 0.00 C ATOM 247 CG GLN A 21 5.638 7.602 4.655 1.00 0.00 C ATOM 248 CD GLN A 21 6.008 9.046 4.931 1.00 0.00 C ATOM 249 OE1 GLN A 21 5.489 9.964 4.295 1.00 0.00 O ATOM 250 NE2 GLN A 21 6.909 9.255 5.884 1.00 0.00 N ATOM 0 H GLN A 21 7.227 8.944 2.658 1.00 0.00 H new ATOM 0 HA GLN A 21 7.288 6.236 3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.021 8.211 2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.700 6.526 3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.724 7.356 5.195 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.422 6.950 5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.313 8.464 6.386 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.197 10.206 6.114 1.00 0.00 H new ATOM 259 N GLU A 22 5.865 6.958 0.177 1.00 0.00 N ATOM 260 CA GLU A 22 5.495 6.393 -1.115 1.00 0.00 C ATOM 261 C GLU A 22 6.706 5.771 -1.805 1.00 0.00 C ATOM 262 O GLU A 22 6.572 4.848 -2.607 1.00 0.00 O ATOM 263 CB GLU A 22 4.882 7.471 -2.011 1.00 0.00 C ATOM 264 CG GLU A 22 4.084 6.912 -3.177 1.00 0.00 C ATOM 265 CD GLU A 22 3.533 7.998 -4.081 1.00 0.00 C ATOM 266 OE1 GLU A 22 4.342 8.758 -4.654 1.00 0.00 O ATOM 267 OE2 GLU A 22 2.295 8.089 -4.214 1.00 0.00 O ATOM 0 H GLU A 22 5.697 7.960 0.263 1.00 0.00 H new ATOM 0 HA GLU A 22 4.756 5.611 -0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.233 8.106 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.679 8.106 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.719 6.246 -3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.260 6.311 -2.793 1.00 0.00 H new ATOM 274 N LYS A 23 7.889 6.286 -1.486 1.00 0.00 N ATOM 275 CA LYS A 23 9.125 5.783 -2.073 1.00 0.00 C ATOM 276 C LYS A 23 9.553 4.479 -1.407 1.00 0.00 C ATOM 277 O LYS A 23 9.709 3.453 -2.070 1.00 0.00 O ATOM 278 CB LYS A 23 10.238 6.825 -1.940 1.00 0.00 C ATOM 279 CG LYS A 23 10.286 7.814 -3.093 1.00 0.00 C ATOM 280 CD LYS A 23 11.205 8.984 -2.785 1.00 0.00 C ATOM 281 CE LYS A 23 12.668 8.606 -2.960 1.00 0.00 C ATOM 282 NZ LYS A 23 13.579 9.634 -2.386 1.00 0.00 N ATOM 0 H LYS A 23 8.017 7.051 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 23 8.942 5.588 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.102 7.373 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.198 6.313 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.630 7.307 -3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.281 8.183 -3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.963 9.820 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.035 9.322 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.855 7.646 -2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.886 8.479 -4.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.567 9.339 -2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.419 10.545 -2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.389 9.737 -1.369 1.00 0.00 H new ATOM 296 N LEU A 24 9.740 4.526 -0.092 1.00 0.00 N ATOM 297 CA LEU A 24 10.149 3.348 0.665 1.00 0.00 C ATOM 298 C LEU A 24 9.235 2.164 0.364 1.00 0.00 C ATOM 299 O LEU A 24 9.652 1.008 0.445 1.00 0.00 O ATOM 300 CB LEU A 24 10.134 3.650 2.164 1.00 0.00 C ATOM 301 CG LEU A 24 10.302 2.448 3.093 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.650 1.782 2.867 1.00 0.00 C ATOM 303 CD2 LEU A 24 10.151 2.871 4.547 1.00 0.00 C ATOM 0 H LEU A 24 9.615 5.367 0.472 1.00 0.00 H new ATOM 0 HA LEU A 24 11.163 3.087 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.930 4.363 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.192 4.142 2.406 1.00 0.00 H new ATOM 0 HG LEU A 24 9.520 1.725 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.751 0.929 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.719 1.442 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.447 2.497 3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.274 2.002 5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.910 3.614 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.161 3.300 4.700 1.00 0.00 H new ATOM 315 N VAL A 25 7.987 2.460 0.016 1.00 0.00 N ATOM 316 CA VAL A 25 7.015 1.420 -0.300 1.00 0.00 C ATOM 317 C VAL A 25 7.193 0.916 -1.728 1.00 0.00 C ATOM 318 O VAL A 25 7.154 -0.288 -1.982 1.00 0.00 O ATOM 319 CB VAL A 25 5.572 1.929 -0.124 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.573 0.839 -0.482 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.350 2.420 1.299 1.00 0.00 C ATOM 0 H VAL A 25 7.625 3.411 -0.054 1.00 0.00 H new ATOM 0 HA VAL A 25 7.192 0.600 0.396 1.00 0.00 H new ATOM 0 HB VAL A 25 5.416 2.768 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.559 1.217 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.718 0.540 -1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.725 -0.022 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.325 2.776 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.524 1.602 1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.041 3.235 1.515 1.00 0.00 H new ATOM 331 N TYR A 26 7.390 1.845 -2.657 1.00 0.00 N ATOM 332 CA TYR A 26 7.573 1.495 -4.060 1.00 0.00 C ATOM 333 C TYR A 26 8.831 0.653 -4.252 1.00 0.00 C ATOM 334 O TYR A 26 8.929 -0.126 -5.200 1.00 0.00 O ATOM 335 CB TYR A 26 7.659 2.761 -4.916 1.00 0.00 C ATOM 336 CG TYR A 26 8.154 2.508 -6.322 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.366 1.835 -7.247 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.410 2.945 -6.725 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.816 1.602 -8.533 1.00 0.00 C ATOM 340 CE2 TYR A 26 9.867 2.717 -8.009 1.00 0.00 C ATOM 341 CZ TYR A 26 9.066 2.045 -8.909 1.00 0.00 C ATOM 342 OH TYR A 26 9.517 1.816 -10.189 1.00 0.00 O ATOM 0 H TYR A 26 7.427 2.846 -2.464 1.00 0.00 H new ATOM 0 HA TYR A 26 6.712 0.907 -4.377 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.674 3.224 -4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.323 3.475 -4.429 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.385 1.488 -6.957 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.039 3.472 -6.023 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.191 1.076 -9.240 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.846 3.063 -8.306 1.00 0.00 H new ATOM 0 HH TYR A 26 10.416 2.193 -10.291 1.00 0.00 H new ATOM 352 N GLN A 27 9.788 0.815 -3.345 1.00 0.00 N ATOM 353 CA GLN A 27 11.039 0.069 -3.414 1.00 0.00 C ATOM 354 C GLN A 27 10.870 -1.332 -2.837 1.00 0.00 C ATOM 355 O GLN A 27 11.583 -2.261 -3.218 1.00 0.00 O ATOM 356 CB GLN A 27 12.143 0.814 -2.661 1.00 0.00 C ATOM 357 CG GLN A 27 12.686 2.019 -3.412 1.00 0.00 C ATOM 358 CD GLN A 27 13.642 1.631 -4.523 1.00 0.00 C ATOM 359 OE1 GLN A 27 13.092 1.243 -5.669 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 14.861 1.679 -4.355 1.00 0.00 N flip ATOM 0 H GLN A 27 9.722 1.456 -2.554 1.00 0.00 H new ATOM 0 HA GLN A 27 11.321 -0.022 -4.463 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.756 1.142 -1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.962 0.124 -2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.855 2.584 -3.834 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.198 2.679 -2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.241 1.983 -3.458 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.491 1.415 -5.112 1.00 0.00 H new ATOM 369 N ILE A 28 9.923 -1.477 -1.916 1.00 0.00 N ATOM 370 CA ILE A 28 9.661 -2.766 -1.287 1.00 0.00 C ATOM 371 C ILE A 28 8.892 -3.689 -2.226 1.00 0.00 C ATOM 372 O ILE A 28 9.038 -4.911 -2.169 1.00 0.00 O ATOM 373 CB ILE A 28 8.864 -2.603 0.020 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.727 -1.927 1.088 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.367 -3.955 0.510 1.00 0.00 C ATOM 376 CD1 ILE A 28 8.923 -1.193 2.139 1.00 0.00 C ATOM 0 H ILE A 28 9.325 -0.718 -1.589 1.00 0.00 H new ATOM 0 HA ILE A 28 10.631 -3.209 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 28 7.999 -1.970 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.344 -2.681 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.405 -1.224 0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.805 -3.823 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.721 -4.401 -0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.218 -4.611 0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.599 -0.739 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.326 -0.416 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.264 -1.895 2.649 1.00 0.00 H new ATOM 388 N ILE A 29 8.074 -3.097 -3.090 1.00 0.00 N ATOM 389 CA ILE A 29 7.285 -3.867 -4.044 1.00 0.00 C ATOM 390 C ILE A 29 8.160 -4.419 -5.163 1.00 0.00 C ATOM 391 O ILE A 29 8.016 -5.573 -5.565 1.00 0.00 O ATOM 392 CB ILE A 29 6.160 -3.014 -4.660 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.232 -2.485 -3.564 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.375 -3.829 -5.678 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.323 -1.369 -4.029 1.00 0.00 C ATOM 0 H ILE A 29 7.940 -2.088 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 29 6.842 -4.696 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 29 6.609 -2.163 -5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.622 -3.306 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.835 -2.128 -2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.583 -3.213 -6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.044 -4.161 -6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.935 -4.697 -5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.694 -1.043 -3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.926 -0.531 -4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.694 -1.728 -4.843 1.00 0.00 H new ATOM 407 N GLU A 30 9.070 -3.587 -5.662 1.00 0.00 N ATOM 408 CA GLU A 30 9.969 -3.994 -6.734 1.00 0.00 C ATOM 409 C GLU A 30 10.956 -5.051 -6.246 1.00 0.00 C ATOM 410 O GLU A 30 11.505 -5.816 -7.039 1.00 0.00 O ATOM 411 CB GLU A 30 10.730 -2.783 -7.278 1.00 0.00 C ATOM 412 CG GLU A 30 11.825 -2.285 -6.350 1.00 0.00 C ATOM 413 CD GLU A 30 12.781 -1.328 -7.036 1.00 0.00 C ATOM 414 OE1 GLU A 30 12.323 -0.264 -7.503 1.00 0.00 O ATOM 415 OE2 GLU A 30 13.987 -1.643 -7.105 1.00 0.00 O ATOM 0 H GLU A 30 9.203 -2.628 -5.341 1.00 0.00 H new ATOM 0 HA GLU A 30 9.367 -4.426 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.171 -3.044 -8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.024 -1.973 -7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.371 -1.787 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.384 -3.137 -5.964 1.00 0.00 H new ATOM 422 N ASP A 31 11.176 -5.085 -4.936 1.00 0.00 N ATOM 423 CA ASP A 31 12.095 -6.048 -4.341 1.00 0.00 C ATOM 424 C ASP A 31 11.491 -7.448 -4.339 1.00 0.00 C ATOM 425 O ASP A 31 12.180 -8.433 -4.601 1.00 0.00 O ATOM 426 CB ASP A 31 12.450 -5.630 -2.913 1.00 0.00 C ATOM 427 CG ASP A 31 13.838 -6.085 -2.504 1.00 0.00 C ATOM 428 OD1 ASP A 31 13.976 -7.243 -2.058 1.00 0.00 O ATOM 429 OD2 ASP A 31 14.785 -5.282 -2.631 1.00 0.00 O ATOM 0 H ASP A 31 10.731 -4.457 -4.267 1.00 0.00 H new ATOM 0 HA ASP A 31 13.003 -6.066 -4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.387 -4.545 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.716 -6.046 -2.223 1.00 0.00 H new ATOM 434 N ALA A 32 10.198 -7.529 -4.042 1.00 0.00 N ATOM 435 CA ALA A 32 9.500 -8.808 -4.007 1.00 0.00 C ATOM 436 C ALA A 32 9.694 -9.575 -5.310 1.00 0.00 C ATOM 437 O ALA A 32 9.682 -10.805 -5.326 1.00 0.00 O ATOM 438 CB ALA A 32 8.019 -8.594 -3.734 1.00 0.00 C ATOM 0 H ALA A 32 9.613 -6.723 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 32 9.925 -9.403 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.510 -9.558 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.895 -8.095 -2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.589 -7.976 -4.522 1.00 0.00 H new ATOM 444 N GLY A 33 9.874 -8.839 -6.404 1.00 0.00 N ATOM 445 CA GLY A 33 10.067 -9.468 -7.697 1.00 0.00 C ATOM 446 C GLY A 33 8.757 -9.801 -8.382 1.00 0.00 C ATOM 447 O GLY A 33 7.686 -9.431 -7.901 1.00 0.00 O ATOM 0 H GLY A 33 9.889 -7.819 -6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.649 -8.805 -8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.649 -10.381 -7.570 1.00 0.00 H new ATOM 451 N ASN A 34 8.840 -10.501 -9.508 1.00 0.00 N ATOM 452 CA ASN A 34 7.651 -10.883 -10.262 1.00 0.00 C ATOM 453 C ASN A 34 6.631 -11.567 -9.357 1.00 0.00 C ATOM 454 O ASN A 34 5.423 -11.398 -9.526 1.00 0.00 O ATOM 455 CB ASN A 34 8.030 -11.812 -11.417 1.00 0.00 C ATOM 456 CG ASN A 34 9.280 -11.353 -12.142 1.00 0.00 C ATOM 457 OD1 ASN A 34 10.399 -11.629 -11.709 1.00 0.00 O ATOM 458 ND2 ASN A 34 9.095 -10.647 -13.251 1.00 0.00 N ATOM 0 H ASN A 34 9.719 -10.816 -9.919 1.00 0.00 H new ATOM 0 HA ASN A 34 7.201 -9.977 -10.667 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.186 -12.820 -11.033 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.202 -11.865 -12.124 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.899 -10.310 -13.781 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.149 -10.442 -13.573 1.00 0.00 H new ATOM 465 N LYS A 35 7.124 -12.340 -8.396 1.00 0.00 N ATOM 466 CA LYS A 35 6.257 -13.049 -7.463 1.00 0.00 C ATOM 467 C LYS A 35 5.259 -12.095 -6.815 1.00 0.00 C ATOM 468 O LYS A 35 4.158 -12.495 -6.439 1.00 0.00 O ATOM 469 CB LYS A 35 7.093 -13.740 -6.383 1.00 0.00 C ATOM 470 CG LYS A 35 7.902 -14.917 -6.899 1.00 0.00 C ATOM 471 CD LYS A 35 8.943 -15.366 -5.888 1.00 0.00 C ATOM 472 CE LYS A 35 10.208 -14.527 -5.980 1.00 0.00 C ATOM 473 NZ LYS A 35 10.954 -14.786 -7.243 1.00 0.00 N ATOM 0 H LYS A 35 8.121 -12.492 -8.243 1.00 0.00 H new ATOM 0 HA LYS A 35 5.702 -13.802 -8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.771 -13.011 -5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.431 -14.085 -5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.233 -15.747 -7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.395 -14.640 -7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.530 -15.294 -4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.188 -16.415 -6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.948 -13.470 -5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.851 -14.744 -5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.941 -14.479 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.930 -15.803 -7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.512 -14.257 -8.022 1.00 0.00 H new ATOM 487 N GLY A 36 5.651 -10.831 -6.690 1.00 0.00 N ATOM 488 CA GLY A 36 4.778 -9.839 -6.089 1.00 0.00 C ATOM 489 C GLY A 36 4.865 -9.832 -4.575 1.00 0.00 C ATOM 490 O GLY A 36 5.661 -10.565 -3.989 1.00 0.00 O ATOM 0 H GLY A 36 6.558 -10.476 -6.994 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.039 -8.851 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.749 -10.035 -6.390 1.00 0.00 H new ATOM 494 N ILE A 37 4.046 -8.999 -3.941 1.00 0.00 N ATOM 495 CA ILE A 37 4.034 -8.899 -2.487 1.00 0.00 C ATOM 496 C ILE A 37 2.627 -8.628 -1.966 1.00 0.00 C ATOM 497 O ILE A 37 1.818 -7.987 -2.638 1.00 0.00 O ATOM 498 CB ILE A 37 4.977 -7.786 -1.993 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.024 -7.770 -0.463 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.527 -6.435 -2.528 1.00 0.00 C ATOM 501 CD1 ILE A 37 5.905 -6.678 0.103 1.00 0.00 C ATOM 0 H ILE A 37 3.382 -8.384 -4.412 1.00 0.00 H new ATOM 0 HA ILE A 37 4.382 -9.857 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 37 5.981 -7.987 -2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.012 -7.645 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.383 -8.736 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.203 -5.658 -2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.539 -6.453 -3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.516 -6.224 -2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.891 -6.727 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.926 -6.813 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.534 -5.706 -0.222 1.00 0.00 H new ATOM 513 N TRP A 38 2.343 -9.117 -0.765 1.00 0.00 N ATOM 514 CA TRP A 38 1.034 -8.925 -0.152 1.00 0.00 C ATOM 515 C TRP A 38 0.936 -7.553 0.506 1.00 0.00 C ATOM 516 O TRP A 38 1.826 -7.149 1.254 1.00 0.00 O ATOM 517 CB TRP A 38 0.766 -10.021 0.882 1.00 0.00 C ATOM 518 CG TRP A 38 -0.684 -10.170 1.228 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.749 -9.996 0.390 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.229 -10.522 2.504 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.922 -10.219 1.069 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.631 -10.543 2.367 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.670 -10.822 3.749 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.478 -10.852 3.428 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.511 -11.128 4.801 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.903 -11.142 4.636 1.00 0.00 C ATOM 0 H TRP A 38 3.001 -9.649 -0.196 1.00 0.00 H new ATOM 0 HA TRP A 38 0.281 -8.984 -0.938 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.140 -10.971 0.499 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.328 -9.799 1.789 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.679 -9.723 -0.653 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.859 -10.154 0.671 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.401 -10.815 3.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.551 -10.863 3.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.089 -11.361 5.768 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.534 -11.386 5.478 1.00 0.00 H new ATOM 537 N SER A 39 -0.151 -6.842 0.224 1.00 0.00 N ATOM 538 CA SER A 39 -0.363 -5.514 0.786 1.00 0.00 C ATOM 539 C SER A 39 0.144 -5.445 2.223 1.00 0.00 C ATOM 540 O SER A 39 0.839 -4.503 2.604 1.00 0.00 O ATOM 541 CB SER A 39 -1.847 -5.147 0.738 1.00 0.00 C ATOM 542 OG SER A 39 -2.598 -5.943 1.638 1.00 0.00 O ATOM 0 H SER A 39 -0.899 -7.164 -0.391 1.00 0.00 H new ATOM 0 HA SER A 39 0.200 -4.799 0.186 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.973 -4.093 0.987 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.226 -5.282 -0.275 1.00 0.00 H new ATOM 0 HG SER A 39 -3.543 -5.688 1.590 1.00 0.00 H new ATOM 548 N ARG A 40 -0.210 -6.450 3.017 1.00 0.00 N ATOM 549 CA ARG A 40 0.207 -6.504 4.413 1.00 0.00 C ATOM 550 C ARG A 40 1.727 -6.559 4.525 1.00 0.00 C ATOM 551 O ARG A 40 2.342 -5.720 5.184 1.00 0.00 O ATOM 552 CB ARG A 40 -0.410 -7.721 5.105 1.00 0.00 C ATOM 553 CG ARG A 40 -1.868 -7.529 5.489 1.00 0.00 C ATOM 554 CD ARG A 40 -2.239 -8.364 6.705 1.00 0.00 C ATOM 555 NE ARG A 40 -1.442 -8.008 7.876 1.00 0.00 N ATOM 556 CZ ARG A 40 -1.610 -8.559 9.074 1.00 0.00 C ATOM 557 NH1 ARG A 40 -2.539 -9.486 9.256 1.00 0.00 N ATOM 558 NH2 ARG A 40 -0.845 -8.183 10.091 1.00 0.00 N ATOM 0 H ARG A 40 -0.785 -7.238 2.718 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.144 -5.597 4.906 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.328 -8.584 4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.166 -7.949 6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.054 -6.476 5.699 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.506 -7.804 4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.296 -8.226 6.931 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.097 -9.420 6.477 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.717 -7.298 7.769 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.127 -9.778 8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.666 -9.907 10.176 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.128 -7.471 9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.974 -8.606 11.010 1.00 0.00 H new ATOM 572 N ASP A 41 2.327 -7.552 3.877 1.00 0.00 N ATOM 573 CA ASP A 41 3.776 -7.716 3.903 1.00 0.00 C ATOM 574 C ASP A 41 4.478 -6.364 3.828 1.00 0.00 C ATOM 575 O ASP A 41 5.578 -6.193 4.353 1.00 0.00 O ATOM 576 CB ASP A 41 4.231 -8.605 2.744 1.00 0.00 C ATOM 577 CG ASP A 41 5.484 -9.391 3.075 1.00 0.00 C ATOM 578 OD1 ASP A 41 6.581 -8.795 3.053 1.00 0.00 O ATOM 579 OD2 ASP A 41 5.368 -10.603 3.355 1.00 0.00 O ATOM 0 H ASP A 41 1.833 -8.255 3.328 1.00 0.00 H new ATOM 0 HA ASP A 41 4.045 -8.193 4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.430 -9.297 2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.415 -7.986 1.866 1.00 0.00 H new ATOM 584 N VAL A 42 3.834 -5.404 3.170 1.00 0.00 N ATOM 585 CA VAL A 42 4.396 -4.067 3.026 1.00 0.00 C ATOM 586 C VAL A 42 4.345 -3.304 4.345 1.00 0.00 C ATOM 587 O VAL A 42 5.347 -2.744 4.789 1.00 0.00 O ATOM 588 CB VAL A 42 3.651 -3.258 1.948 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.357 -1.936 1.689 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.527 -4.066 0.666 1.00 0.00 C ATOM 0 H VAL A 42 2.923 -5.528 2.729 1.00 0.00 H new ATOM 0 HA VAL A 42 5.435 -4.192 2.722 1.00 0.00 H new ATOM 0 HB VAL A 42 2.647 -3.041 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.816 -1.378 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.388 -1.353 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.374 -2.128 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.998 -3.479 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.521 -4.316 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.973 -4.983 0.866 1.00 0.00 H new ATOM 600 N ARG A 43 3.171 -3.287 4.967 1.00 0.00 N ATOM 601 CA ARG A 43 2.988 -2.592 6.235 1.00 0.00 C ATOM 602 C ARG A 43 4.219 -2.750 7.124 1.00 0.00 C ATOM 603 O ARG A 43 4.714 -1.777 7.694 1.00 0.00 O ATOM 604 CB ARG A 43 1.751 -3.126 6.960 1.00 0.00 C ATOM 605 CG ARG A 43 0.473 -2.380 6.614 1.00 0.00 C ATOM 606 CD ARG A 43 -0.721 -2.937 7.373 1.00 0.00 C ATOM 607 NE ARG A 43 -0.607 -2.714 8.812 1.00 0.00 N ATOM 608 CZ ARG A 43 0.053 -3.525 9.631 1.00 0.00 C ATOM 609 NH1 ARG A 43 0.656 -4.606 9.156 1.00 0.00 N ATOM 610 NH2 ARG A 43 0.113 -3.254 10.929 1.00 0.00 N ATOM 0 H ARG A 43 2.332 -3.747 4.613 1.00 0.00 H new ATOM 0 HA ARG A 43 2.847 -1.532 6.023 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.624 -4.180 6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.917 -3.066 8.036 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.593 -1.322 6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.289 -2.450 5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.635 -2.470 7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.808 -4.006 7.178 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.059 -1.891 9.210 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.614 -4.817 8.159 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.162 -5.227 9.788 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.348 -2.422 11.298 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.620 -3.877 11.557 1.00 0.00 H new ATOM 624 N TYR A 44 4.707 -3.980 7.236 1.00 0.00 N ATOM 625 CA TYR A 44 5.878 -4.265 8.057 1.00 0.00 C ATOM 626 C TYR A 44 7.132 -3.638 7.455 1.00 0.00 C ATOM 627 O TYR A 44 7.840 -2.880 8.117 1.00 0.00 O ATOM 628 CB TYR A 44 6.069 -5.776 8.202 1.00 0.00 C ATOM 629 CG TYR A 44 4.771 -6.544 8.304 1.00 0.00 C ATOM 630 CD1 TYR A 44 4.070 -6.918 7.164 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.245 -6.896 9.541 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.883 -7.618 7.253 1.00 0.00 C ATOM 633 CE2 TYR A 44 3.059 -7.598 9.640 1.00 0.00 C ATOM 634 CZ TYR A 44 2.382 -7.957 8.493 1.00 0.00 C ATOM 635 OH TYR A 44 1.200 -8.656 8.586 1.00 0.00 O ATOM 0 H TYR A 44 4.310 -4.795 6.769 1.00 0.00 H new ATOM 0 HA TYR A 44 5.714 -3.829 9.043 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.634 -6.146 7.346 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.669 -5.974 9.090 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.460 -6.657 6.191 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.772 -6.616 10.441 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.350 -7.899 6.357 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.664 -7.864 10.610 1.00 0.00 H new ATOM 0 HH TYR A 44 1.322 -9.428 9.178 1.00 0.00 H new ATOM 645 N LYS A 45 7.399 -3.960 6.194 1.00 0.00 N ATOM 646 CA LYS A 45 8.565 -3.428 5.499 1.00 0.00 C ATOM 647 C LYS A 45 8.572 -1.903 5.535 1.00 0.00 C ATOM 648 O LYS A 45 9.473 -1.291 6.108 1.00 0.00 O ATOM 649 CB LYS A 45 8.585 -3.914 4.048 1.00 0.00 C ATOM 650 CG LYS A 45 8.730 -5.420 3.913 1.00 0.00 C ATOM 651 CD LYS A 45 9.832 -5.957 4.810 1.00 0.00 C ATOM 652 CE LYS A 45 10.231 -7.371 4.417 1.00 0.00 C ATOM 653 NZ LYS A 45 11.651 -7.662 4.758 1.00 0.00 N ATOM 0 H LYS A 45 6.823 -4.587 5.632 1.00 0.00 H new ATOM 0 HA LYS A 45 9.457 -3.790 6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.664 -3.600 3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.408 -3.430 3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.786 -5.901 4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.948 -5.674 2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.702 -5.303 4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.496 -5.948 5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.582 -8.085 4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.080 -7.507 3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.884 -8.635 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.272 -6.997 4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.790 -7.558 5.783 1.00 0.00 H new ATOM 667 N SER A 46 7.560 -1.297 4.923 1.00 0.00 N ATOM 668 CA SER A 46 7.452 0.157 4.883 1.00 0.00 C ATOM 669 C SER A 46 7.283 0.727 6.288 1.00 0.00 C ATOM 670 O SER A 46 7.529 1.909 6.524 1.00 0.00 O ATOM 671 CB SER A 46 6.271 0.578 4.005 1.00 0.00 C ATOM 672 OG SER A 46 5.040 0.173 4.578 1.00 0.00 O ATOM 0 H SER A 46 6.803 -1.790 4.448 1.00 0.00 H new ATOM 0 HA SER A 46 8.373 0.554 4.456 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.277 1.660 3.876 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.376 0.138 3.013 1.00 0.00 H new ATOM 0 HG SER A 46 5.043 -0.799 4.707 1.00 0.00 H new ATOM 678 N ASN A 47 6.862 -0.123 7.219 1.00 0.00 N ATOM 679 CA ASN A 47 6.660 0.295 8.601 1.00 0.00 C ATOM 680 C ASN A 47 5.570 1.358 8.694 1.00 0.00 C ATOM 681 O ASN A 47 5.571 2.186 9.606 1.00 0.00 O ATOM 682 CB ASN A 47 7.966 0.834 9.189 1.00 0.00 C ATOM 683 CG ASN A 47 7.830 1.209 10.652 1.00 0.00 C ATOM 684 OD1 ASN A 47 7.337 0.424 11.462 1.00 0.00 O ATOM 685 ND2 ASN A 47 8.268 2.414 10.997 1.00 0.00 N ATOM 0 H ASN A 47 6.654 -1.106 7.041 1.00 0.00 H new ATOM 0 HA ASN A 47 6.343 -0.576 9.175 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.748 0.082 9.081 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.284 1.708 8.621 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.203 2.722 11.967 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.670 3.032 10.292 1.00 0.00 H new ATOM 692 N LEU A 48 4.641 1.329 7.745 1.00 0.00 N ATOM 693 CA LEU A 48 3.543 2.290 7.719 1.00 0.00 C ATOM 694 C LEU A 48 2.212 1.603 8.004 1.00 0.00 C ATOM 695 O LEU A 48 2.050 0.400 7.800 1.00 0.00 O ATOM 696 CB LEU A 48 3.488 2.994 6.363 1.00 0.00 C ATOM 697 CG LEU A 48 4.544 4.074 6.123 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.585 4.463 4.653 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.268 5.292 6.992 1.00 0.00 C ATOM 0 H LEU A 48 4.626 0.651 6.983 1.00 0.00 H new ATOM 0 HA LEU A 48 3.722 3.031 8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.584 2.241 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.503 3.446 6.251 1.00 0.00 H new ATOM 0 HG LEU A 48 5.518 3.670 6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.342 5.232 4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.831 3.588 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.611 4.848 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.029 6.050 6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.286 5.697 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.291 5.002 8.043 1.00 0.00 H new ATOM 711 N PRO A 49 1.233 2.384 8.484 1.00 0.00 N ATOM 712 CA PRO A 49 -0.103 1.873 8.803 1.00 0.00 C ATOM 713 C PRO A 49 -0.890 1.487 7.556 1.00 0.00 C ATOM 714 O PRO A 49 -0.610 1.971 6.458 1.00 0.00 O ATOM 715 CB PRO A 49 -0.773 3.052 9.515 1.00 0.00 C ATOM 716 CG PRO A 49 -0.064 4.257 9.001 1.00 0.00 C ATOM 717 CD PRO A 49 1.355 3.827 8.751 1.00 0.00 C ATOM 0 HA PRO A 49 -0.059 0.964 9.403 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.839 3.095 9.292 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.677 2.968 10.597 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.528 4.622 8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.103 5.071 9.725 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.792 4.357 7.904 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.992 4.024 9.613 1.00 0.00 H new ATOM 725 N LEU A 50 -1.876 0.614 7.730 1.00 0.00 N ATOM 726 CA LEU A 50 -2.705 0.163 6.617 1.00 0.00 C ATOM 727 C LEU A 50 -3.193 1.347 5.788 1.00 0.00 C ATOM 728 O LEU A 50 -3.094 1.342 4.560 1.00 0.00 O ATOM 729 CB LEU A 50 -3.900 -0.638 7.137 1.00 0.00 C ATOM 730 CG LEU A 50 -4.575 -1.567 6.128 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.963 -0.800 4.873 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.661 -2.733 5.782 1.00 0.00 C ATOM 0 H LEU A 50 -2.121 0.204 8.631 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.097 -0.478 5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.569 -1.236 7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.646 0.063 7.511 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.483 -1.966 6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.442 -1.477 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.655 0.000 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.070 -0.372 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.158 -3.384 5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.735 -2.354 5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.434 -3.298 6.686 1.00 0.00 H new ATOM 744 N THR A 51 -3.720 2.361 6.467 1.00 0.00 N ATOM 745 CA THR A 51 -4.222 3.552 5.793 1.00 0.00 C ATOM 746 C THR A 51 -3.165 4.152 4.873 1.00 0.00 C ATOM 747 O THR A 51 -3.490 4.836 3.903 1.00 0.00 O ATOM 748 CB THR A 51 -4.672 4.622 6.806 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.278 5.723 6.119 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.492 5.119 7.628 1.00 0.00 C ATOM 0 H THR A 51 -3.810 2.381 7.483 1.00 0.00 H new ATOM 0 HA THR A 51 -5.081 3.240 5.198 1.00 0.00 H new ATOM 0 HB THR A 51 -5.400 4.170 7.480 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.563 6.398 6.770 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.834 5.874 8.336 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.050 4.284 8.172 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.745 5.556 6.965 1.00 0.00 H new ATOM 758 N GLU A 52 -1.899 3.889 5.184 1.00 0.00 N ATOM 759 CA GLU A 52 -0.795 4.404 4.384 1.00 0.00 C ATOM 760 C GLU A 52 -0.468 3.456 3.234 1.00 0.00 C ATOM 761 O GLU A 52 -0.344 3.878 2.084 1.00 0.00 O ATOM 762 CB GLU A 52 0.445 4.610 5.257 1.00 0.00 C ATOM 763 CG GLU A 52 0.453 5.936 5.999 1.00 0.00 C ATOM 764 CD GLU A 52 0.572 7.126 5.066 1.00 0.00 C ATOM 765 OE1 GLU A 52 0.481 6.926 3.836 1.00 0.00 O ATOM 766 OE2 GLU A 52 0.757 8.255 5.564 1.00 0.00 O ATOM 0 H GLU A 52 -1.614 3.323 5.983 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.100 5.364 3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.508 3.798 5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.335 4.549 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.463 6.027 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.283 5.948 6.705 1.00 0.00 H new ATOM 773 N ILE A 53 -0.329 2.174 3.553 1.00 0.00 N ATOM 774 CA ILE A 53 -0.017 1.166 2.547 1.00 0.00 C ATOM 775 C ILE A 53 -1.110 1.091 1.487 1.00 0.00 C ATOM 776 O ILE A 53 -0.837 0.831 0.316 1.00 0.00 O ATOM 777 CB ILE A 53 0.164 -0.226 3.182 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.546 -0.340 3.829 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.029 -1.314 2.136 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.766 0.639 4.960 1.00 0.00 C ATOM 0 H ILE A 53 -0.427 1.808 4.500 1.00 0.00 H new ATOM 0 HA ILE A 53 0.920 1.467 2.078 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.591 -0.357 3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.679 -1.354 4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.309 -0.180 3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.102 -2.292 2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.033 -1.242 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.706 -1.188 1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.766 0.501 5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.665 1.657 4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.026 0.465 5.741 1.00 0.00 H new ATOM 792 N ASN A 54 -2.350 1.322 1.906 1.00 0.00 N ATOM 793 CA ASN A 54 -3.486 1.282 0.992 1.00 0.00 C ATOM 794 C ASN A 54 -3.433 2.446 0.007 1.00 0.00 C ATOM 795 O ASN A 54 -3.493 2.250 -1.207 1.00 0.00 O ATOM 796 CB ASN A 54 -4.800 1.321 1.776 1.00 0.00 C ATOM 797 CG ASN A 54 -5.298 -0.064 2.139 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.581 -1.053 1.987 1.00 0.00 O ATOM 799 ND2 ASN A 54 -6.532 -0.141 2.623 1.00 0.00 N ATOM 0 H ASN A 54 -2.594 1.539 2.872 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.435 0.350 0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.660 1.904 2.686 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.558 1.833 1.184 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.921 -1.046 2.886 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.091 0.705 2.732 1.00 0.00 H new ATOM 806 N LYS A 55 -3.320 3.659 0.539 1.00 0.00 N ATOM 807 CA LYS A 55 -3.257 4.856 -0.291 1.00 0.00 C ATOM 808 C LYS A 55 -1.981 4.871 -1.127 1.00 0.00 C ATOM 809 O LYS A 55 -1.993 5.287 -2.286 1.00 0.00 O ATOM 810 CB LYS A 55 -3.323 6.111 0.582 1.00 0.00 C ATOM 811 CG LYS A 55 -2.055 6.364 1.379 1.00 0.00 C ATOM 812 CD LYS A 55 -2.067 7.741 2.023 1.00 0.00 C ATOM 813 CE LYS A 55 -2.915 7.758 3.286 1.00 0.00 C ATOM 814 NZ LYS A 55 -2.834 9.068 3.990 1.00 0.00 N ATOM 0 H LYS A 55 -3.270 3.839 1.542 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.113 4.846 -0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.522 6.975 -0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.163 6.021 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.951 5.601 2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.188 6.275 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.047 8.040 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.454 8.472 1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.953 7.547 3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.585 6.964 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.425 9.040 4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.847 9.258 4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.173 9.822 3.360 1.00 0.00 H new ATOM 828 N ILE A 56 -0.884 4.415 -0.533 1.00 0.00 N ATOM 829 CA ILE A 56 0.398 4.375 -1.224 1.00 0.00 C ATOM 830 C ILE A 56 0.387 3.338 -2.343 1.00 0.00 C ATOM 831 O ILE A 56 0.690 3.649 -3.496 1.00 0.00 O ATOM 832 CB ILE A 56 1.551 4.054 -0.254 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.765 5.216 0.719 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.828 3.762 -1.028 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.382 4.795 2.035 1.00 0.00 C ATOM 0 H ILE A 56 -0.857 4.068 0.426 1.00 0.00 H new ATOM 0 HA ILE A 56 0.558 5.365 -1.650 1.00 0.00 H new ATOM 0 HB ILE A 56 1.287 3.167 0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.406 5.961 0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.807 5.698 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.634 3.537 -0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.668 2.907 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.099 4.633 -1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.505 5.669 2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.731 4.073 2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.355 4.340 1.851 1.00 0.00 H new ATOM 847 N LEU A 57 0.035 2.105 -1.996 1.00 0.00 N ATOM 848 CA LEU A 57 -0.018 1.021 -2.971 1.00 0.00 C ATOM 849 C LEU A 57 -0.857 1.418 -4.181 1.00 0.00 C ATOM 850 O LEU A 57 -0.586 0.993 -5.305 1.00 0.00 O ATOM 851 CB LEU A 57 -0.594 -0.241 -2.329 1.00 0.00 C ATOM 852 CG LEU A 57 0.377 -1.070 -1.488 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.276 -2.369 -1.042 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.652 -1.353 -2.269 1.00 0.00 C ATOM 0 H LEU A 57 -0.218 1.831 -1.047 1.00 0.00 H new ATOM 0 HA LEU A 57 0.999 0.818 -3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.434 0.048 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.993 -0.877 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 57 0.639 -0.495 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.431 -2.945 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.159 -2.146 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.568 -2.949 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.331 -1.944 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.408 -1.907 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.131 -0.411 -2.537 1.00 0.00 H new ATOM 866 N LYS A 58 -1.875 2.239 -3.945 1.00 0.00 N ATOM 867 CA LYS A 58 -2.752 2.697 -5.016 1.00 0.00 C ATOM 868 C LYS A 58 -2.093 3.814 -5.819 1.00 0.00 C ATOM 869 O LYS A 58 -1.900 3.692 -7.027 1.00 0.00 O ATOM 870 CB LYS A 58 -4.083 3.186 -4.438 1.00 0.00 C ATOM 871 CG LYS A 58 -5.137 2.098 -4.332 1.00 0.00 C ATOM 872 CD LYS A 58 -5.992 2.025 -5.586 1.00 0.00 C ATOM 873 CE LYS A 58 -5.407 1.060 -6.605 1.00 0.00 C ATOM 874 NZ LYS A 58 -6.281 0.921 -7.802 1.00 0.00 N ATOM 0 H LYS A 58 -2.113 2.601 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.939 1.856 -5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.907 3.607 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.467 3.992 -5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.653 1.136 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.773 2.289 -3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.001 1.709 -5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.075 3.017 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.422 1.410 -6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.267 0.083 -6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.848 0.255 -8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.213 0.563 -7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.394 1.848 -8.259 1.00 0.00 H new ATOM 888 N ASN A 59 -1.749 4.903 -5.138 1.00 0.00 N ATOM 889 CA ASN A 59 -1.111 6.041 -5.788 1.00 0.00 C ATOM 890 C ASN A 59 -0.126 5.575 -6.857 1.00 0.00 C ATOM 891 O ASN A 59 -0.054 6.150 -7.944 1.00 0.00 O ATOM 892 CB ASN A 59 -0.387 6.906 -4.754 1.00 0.00 C ATOM 893 CG ASN A 59 -1.275 7.999 -4.192 1.00 0.00 C ATOM 894 OD1 ASN A 59 -1.718 8.890 -4.917 1.00 0.00 O ATOM 895 ND2 ASN A 59 -1.540 7.935 -2.892 1.00 0.00 N ATOM 0 H ASN A 59 -1.902 5.021 -4.136 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.888 6.635 -6.269 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.033 6.274 -3.939 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.493 7.357 -5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.132 8.642 -2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.151 7.178 -2.329 1.00 0.00 H new ATOM 902 N LEU A 60 0.630 4.530 -6.540 1.00 0.00 N ATOM 903 CA LEU A 60 1.611 3.985 -7.473 1.00 0.00 C ATOM 904 C LEU A 60 0.924 3.361 -8.683 1.00 0.00 C ATOM 905 O LEU A 60 1.311 3.608 -9.824 1.00 0.00 O ATOM 906 CB LEU A 60 2.485 2.943 -6.774 1.00 0.00 C ATOM 907 CG LEU A 60 3.367 3.459 -5.637 1.00 0.00 C ATOM 908 CD1 LEU A 60 4.042 2.302 -4.916 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.405 4.436 -6.169 1.00 0.00 C ATOM 0 H LEU A 60 0.583 4.043 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 60 2.241 4.805 -7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.837 2.161 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.127 2.476 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 60 2.734 3.985 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.665 2.689 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.283 1.639 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.662 1.747 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.024 4.793 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.034 3.934 -6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.902 5.282 -6.638 1.00 0.00 H new ATOM 921 N GLU A 61 -0.100 2.553 -8.424 1.00 0.00 N ATOM 922 CA GLU A 61 -0.842 1.895 -9.493 1.00 0.00 C ATOM 923 C GLU A 61 -1.384 2.916 -10.488 1.00 0.00 C ATOM 924 O GLU A 61 -1.751 2.571 -11.611 1.00 0.00 O ATOM 925 CB GLU A 61 -1.993 1.071 -8.912 1.00 0.00 C ATOM 926 CG GLU A 61 -1.556 -0.268 -8.341 1.00 0.00 C ATOM 927 CD GLU A 61 -2.726 -1.188 -8.052 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.690 -0.735 -7.401 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.677 -2.362 -8.476 1.00 0.00 O ATOM 0 H GLU A 61 -0.434 2.339 -7.484 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.158 1.230 -10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.482 1.649 -8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.735 0.899 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.880 -0.755 -9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.994 -0.101 -7.422 1.00 0.00 H new ATOM 936 N SER A 62 -1.432 4.176 -10.067 1.00 0.00 N ATOM 937 CA SER A 62 -1.933 5.248 -10.918 1.00 0.00 C ATOM 938 C SER A 62 -0.794 5.906 -11.691 1.00 0.00 C ATOM 939 O SER A 62 -0.989 6.413 -12.796 1.00 0.00 O ATOM 940 CB SER A 62 -2.666 6.296 -10.077 1.00 0.00 C ATOM 941 OG SER A 62 -3.660 6.957 -10.840 1.00 0.00 O ATOM 0 H SER A 62 -1.130 4.479 -9.141 1.00 0.00 H new ATOM 0 HA SER A 62 -2.631 4.814 -11.634 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.125 5.817 -9.212 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.951 7.025 -9.695 1.00 0.00 H new ATOM 0 HG SER A 62 -4.115 7.620 -10.280 1.00 0.00 H new ATOM 947 N LYS A 63 0.396 5.895 -11.101 1.00 0.00 N ATOM 948 CA LYS A 63 1.569 6.489 -11.732 1.00 0.00 C ATOM 949 C LYS A 63 2.256 5.487 -12.654 1.00 0.00 C ATOM 950 O LYS A 63 3.398 5.690 -13.067 1.00 0.00 O ATOM 951 CB LYS A 63 2.554 6.977 -10.667 1.00 0.00 C ATOM 952 CG LYS A 63 1.930 7.908 -9.642 1.00 0.00 C ATOM 953 CD LYS A 63 2.755 7.968 -8.368 1.00 0.00 C ATOM 954 CE LYS A 63 2.623 9.318 -7.681 1.00 0.00 C ATOM 955 NZ LYS A 63 3.071 10.434 -8.561 1.00 0.00 N ATOM 0 H LYS A 63 0.574 5.481 -10.186 1.00 0.00 H new ATOM 0 HA LYS A 63 1.239 7.339 -12.329 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.976 6.114 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.381 7.492 -11.157 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.839 8.908 -10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.921 7.569 -9.408 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.433 7.179 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.803 7.779 -8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.584 9.478 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.213 9.319 -6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.449 11.207 -7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.813 10.092 -9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.264 10.783 -9.117 1.00 0.00 H new ATOM 969 N LYS A 64 1.553 4.407 -12.976 1.00 0.00 N ATOM 970 CA LYS A 64 2.093 3.374 -13.852 1.00 0.00 C ATOM 971 C LYS A 64 3.403 2.822 -13.299 1.00 0.00 C ATOM 972 O LYS A 64 4.249 2.333 -14.049 1.00 0.00 O ATOM 973 CB LYS A 64 2.318 3.936 -15.258 1.00 0.00 C ATOM 974 CG LYS A 64 1.083 4.584 -15.859 1.00 0.00 C ATOM 975 CD LYS A 64 0.201 3.562 -16.557 1.00 0.00 C ATOM 976 CE LYS A 64 -1.094 4.188 -17.051 1.00 0.00 C ATOM 977 NZ LYS A 64 -0.879 5.025 -18.263 1.00 0.00 N ATOM 0 H LYS A 64 0.606 4.224 -12.643 1.00 0.00 H new ATOM 0 HA LYS A 64 1.369 2.561 -13.903 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.122 4.671 -15.222 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.651 3.131 -15.913 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.514 5.082 -15.074 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.384 5.353 -16.571 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.741 3.128 -17.399 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.027 2.747 -15.870 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.815 3.402 -17.276 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.527 4.800 -16.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.785 5.434 -18.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.211 5.791 -18.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.490 4.436 -19.027 1.00 0.00 H new ATOM 991 N LEU A 65 3.563 2.900 -11.982 1.00 0.00 N ATOM 992 CA LEU A 65 4.770 2.406 -11.328 1.00 0.00 C ATOM 993 C LEU A 65 4.607 0.946 -10.917 1.00 0.00 C ATOM 994 O LEU A 65 5.571 0.180 -10.919 1.00 0.00 O ATOM 995 CB LEU A 65 5.094 3.260 -10.101 1.00 0.00 C ATOM 996 CG LEU A 65 5.299 4.754 -10.357 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.293 5.526 -9.047 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.598 4.991 -11.113 1.00 0.00 C ATOM 0 H LEU A 65 2.873 3.300 -11.347 1.00 0.00 H new ATOM 0 HA LEU A 65 5.594 2.475 -12.039 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.286 3.143 -9.379 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.997 2.864 -9.636 1.00 0.00 H new ATOM 0 HG LEU A 65 4.474 5.115 -10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.440 6.587 -9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.337 5.382 -8.544 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.098 5.164 -8.407 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.728 6.059 -11.287 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.435 4.614 -10.525 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.563 4.469 -12.069 1.00 0.00 H new ATOM 1010 N ILE A 66 3.383 0.568 -10.568 1.00 0.00 N ATOM 1011 CA ILE A 66 3.094 -0.801 -10.159 1.00 0.00 C ATOM 1012 C ILE A 66 1.697 -1.224 -10.600 1.00 0.00 C ATOM 1013 O ILE A 66 0.997 -0.477 -11.285 1.00 0.00 O ATOM 1014 CB ILE A 66 3.210 -0.968 -8.632 1.00 0.00 C ATOM 1015 CG1 ILE A 66 2.041 -0.274 -7.930 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.538 -0.412 -8.138 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.934 -0.609 -6.459 1.00 0.00 C ATOM 0 H ILE A 66 2.575 1.190 -10.560 1.00 0.00 H new ATOM 0 HA ILE A 66 3.834 -1.438 -10.644 1.00 0.00 H new ATOM 0 HB ILE A 66 3.172 -2.031 -8.394 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.150 0.805 -8.042 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.112 -0.554 -8.426 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.605 -0.537 -7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.358 -0.948 -8.617 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.603 0.648 -8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.084 -0.082 -6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.794 -1.683 -6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.848 -0.304 -5.949 1.00 0.00 H new ATOM 1029 N LYS A 67 1.295 -2.426 -10.202 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.020 -2.949 -10.553 1.00 0.00 C ATOM 1031 C LYS A 67 -0.445 -4.047 -9.583 1.00 0.00 C ATOM 1032 O LYS A 67 0.382 -4.610 -8.867 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.010 -3.494 -11.983 1.00 0.00 C ATOM 1034 CG LYS A 67 0.984 -4.622 -12.197 1.00 0.00 C ATOM 1035 CD LYS A 67 0.718 -5.361 -13.498 1.00 0.00 C ATOM 1036 CE LYS A 67 1.463 -6.686 -13.550 1.00 0.00 C ATOM 1037 NZ LYS A 67 0.851 -7.629 -14.526 1.00 0.00 N ATOM 0 H LYS A 67 1.862 -3.057 -9.635 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.738 -2.131 -10.487 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.009 -3.849 -12.235 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.222 -2.681 -12.671 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.997 -4.219 -12.207 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.928 -5.321 -11.362 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.352 -5.540 -13.604 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.022 -4.739 -14.340 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.503 -6.507 -13.821 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.466 -7.140 -12.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.050 -8.607 -14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.178 -7.479 -14.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.253 -7.460 -15.470 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.740 -4.345 -9.566 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.275 -5.377 -8.686 1.00 0.00 C ATOM 1053 C ALA A 68 -2.500 -6.682 -9.444 1.00 0.00 C ATOM 1054 O ALA A 68 -3.180 -6.706 -10.470 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.572 -4.906 -8.046 1.00 0.00 C ATOM 0 H ALA A 68 -2.438 -3.886 -10.152 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.543 -5.565 -7.900 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.960 -5.687 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.384 -4.005 -7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.304 -4.688 -8.824 1.00 0.00 H new ATOM 1061 N VAL A 69 -1.924 -7.765 -8.932 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.062 -9.073 -9.561 1.00 0.00 C ATOM 1063 C VAL A 69 -2.640 -10.093 -8.585 1.00 0.00 C ATOM 1064 O VAL A 69 -1.918 -10.665 -7.768 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.709 -9.590 -10.085 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -0.838 -11.024 -10.574 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.186 -8.686 -11.191 1.00 0.00 C ATOM 0 H VAL A 69 -1.358 -7.762 -8.084 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.745 -8.950 -10.401 1.00 0.00 H new ATOM 0 HB VAL A 69 0.008 -9.575 -9.265 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.128 -11.372 -10.940 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.165 -11.661 -9.752 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.570 -11.069 -11.381 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.771 -9.066 -11.550 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.901 -8.667 -12.014 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.053 -7.676 -10.803 1.00 0.00 H new ATOM 1077 N LYS A 70 -3.946 -10.318 -8.678 1.00 0.00 N ATOM 1078 CA LYS A 70 -4.622 -11.270 -7.805 1.00 0.00 C ATOM 1079 C LYS A 70 -4.508 -12.688 -8.356 1.00 0.00 C ATOM 1080 O LYS A 70 -5.317 -13.111 -9.182 1.00 0.00 O ATOM 1081 CB LYS A 70 -6.096 -10.890 -7.647 1.00 0.00 C ATOM 1082 CG LYS A 70 -6.695 -11.315 -6.317 1.00 0.00 C ATOM 1083 CD LYS A 70 -7.231 -12.735 -6.375 1.00 0.00 C ATOM 1084 CE LYS A 70 -7.187 -13.404 -5.009 1.00 0.00 C ATOM 1085 NZ LYS A 70 -5.806 -13.442 -4.454 1.00 0.00 N ATOM 0 H LYS A 70 -4.558 -9.854 -9.349 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.138 -11.238 -6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.197 -9.810 -7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.668 -11.345 -8.456 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.938 -11.243 -5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.500 -10.632 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.257 -12.723 -6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.645 -13.318 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.840 -12.868 -4.321 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.574 -14.420 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.795 -14.022 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.161 -13.855 -5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.497 -12.476 -4.226 1.00 0.00 H new ATOM 1099 N SER A 71 -3.499 -13.419 -7.891 1.00 0.00 N ATOM 1100 CA SER A 71 -3.278 -14.789 -8.339 1.00 0.00 C ATOM 1101 C SER A 71 -4.106 -15.770 -7.515 1.00 0.00 C ATOM 1102 O SER A 71 -4.650 -15.415 -6.469 1.00 0.00 O ATOM 1103 CB SER A 71 -1.794 -15.147 -8.240 1.00 0.00 C ATOM 1104 OG SER A 71 -1.439 -16.121 -9.206 1.00 0.00 O ATOM 0 H SER A 71 -2.822 -13.085 -7.205 1.00 0.00 H new ATOM 0 HA SER A 71 -3.593 -14.860 -9.380 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.190 -14.251 -8.384 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.573 -15.524 -7.241 1.00 0.00 H new ATOM 0 HG SER A 71 -0.485 -16.331 -9.123 1.00 0.00 H new ATOM 1110 N VAL A 72 -4.197 -17.006 -7.994 1.00 0.00 N ATOM 1111 CA VAL A 72 -4.957 -18.041 -7.302 1.00 0.00 C ATOM 1112 C VAL A 72 -4.748 -17.960 -5.794 1.00 0.00 C ATOM 1113 O VAL A 72 -3.777 -18.496 -5.262 1.00 0.00 O ATOM 1114 CB VAL A 72 -4.563 -19.448 -7.790 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -3.066 -19.666 -7.636 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -5.346 -20.511 -7.034 1.00 0.00 C ATOM 0 H VAL A 72 -3.754 -17.316 -8.859 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.009 -17.868 -7.530 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.811 -19.530 -8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.806 -20.665 -7.986 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.528 -18.924 -8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.790 -19.566 -6.586 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.056 -21.499 -7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.131 -20.432 -5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.413 -20.364 -7.200 1.00 0.00 H new ATOM 1126 N ALA A 73 -5.668 -17.287 -5.110 1.00 0.00 N ATOM 1127 CA ALA A 73 -5.586 -17.138 -3.662 1.00 0.00 C ATOM 1128 C ALA A 73 -6.899 -16.617 -3.089 1.00 0.00 C ATOM 1129 O ALA A 73 -7.875 -16.434 -3.815 1.00 0.00 O ATOM 1130 CB ALA A 73 -4.439 -16.209 -3.291 1.00 0.00 C ATOM 0 H ALA A 73 -6.478 -16.837 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.396 -18.121 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.390 -16.107 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.501 -16.624 -3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.604 -15.230 -3.740 1.00 0.00 H new ATOM 1136 N ALA A 74 -6.916 -16.379 -1.781 1.00 0.00 N ATOM 1137 CA ALA A 74 -8.109 -15.878 -1.111 1.00 0.00 C ATOM 1138 C ALA A 74 -8.595 -14.582 -1.752 1.00 0.00 C ATOM 1139 O ALA A 74 -7.807 -13.672 -2.010 1.00 0.00 O ATOM 1140 CB ALA A 74 -7.832 -15.664 0.370 1.00 0.00 C ATOM 0 H ALA A 74 -6.116 -16.525 -1.165 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.896 -16.624 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.732 -15.290 0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.539 -16.610 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.027 -14.939 0.488 1.00 0.00 H new ATOM 1146 N SER A 75 -9.897 -14.506 -2.008 1.00 0.00 N ATOM 1147 CA SER A 75 -10.487 -13.323 -2.624 1.00 0.00 C ATOM 1148 C SER A 75 -10.250 -12.087 -1.762 1.00 0.00 C ATOM 1149 O SER A 75 -10.327 -10.956 -2.243 1.00 0.00 O ATOM 1150 CB SER A 75 -11.988 -13.529 -2.838 1.00 0.00 C ATOM 1151 OG SER A 75 -12.238 -14.255 -4.030 1.00 0.00 O ATOM 0 H SER A 75 -10.563 -15.249 -1.799 1.00 0.00 H new ATOM 0 HA SER A 75 -10.007 -13.169 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.410 -14.064 -1.987 1.00 0.00 H new ATOM 0 HB3 SER A 75 -12.488 -12.562 -2.886 1.00 0.00 H new ATOM 0 HG SER A 75 -13.204 -14.375 -4.143 1.00 0.00 H new ATOM 1157 N LYS A 76 -9.961 -12.310 -0.485 1.00 0.00 N ATOM 1158 CA LYS A 76 -9.711 -11.216 0.446 1.00 0.00 C ATOM 1159 C LYS A 76 -8.221 -10.898 0.524 1.00 0.00 C ATOM 1160 O LYS A 76 -7.630 -10.900 1.604 1.00 0.00 O ATOM 1161 CB LYS A 76 -10.240 -11.572 1.837 1.00 0.00 C ATOM 1162 CG LYS A 76 -11.705 -11.225 2.038 1.00 0.00 C ATOM 1163 CD LYS A 76 -12.616 -12.243 1.372 1.00 0.00 C ATOM 1164 CE LYS A 76 -14.083 -11.912 1.600 1.00 0.00 C ATOM 1165 NZ LYS A 76 -14.482 -12.111 3.021 1.00 0.00 N ATOM 0 H LYS A 76 -9.894 -13.240 -0.070 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.235 -10.333 0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.102 -12.640 2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.646 -11.050 2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.926 -11.180 3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.905 -10.234 1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.410 -12.272 0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.401 -13.237 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.271 -10.878 1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.701 -12.540 0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.515 -12.024 3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.187 -13.057 3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.023 -11.391 3.615 1.00 0.00 H new ATOM 1179 N LYS A 77 -7.619 -10.623 -0.628 1.00 0.00 N ATOM 1180 CA LYS A 77 -6.199 -10.299 -0.692 1.00 0.00 C ATOM 1181 C LYS A 77 -5.882 -9.479 -1.938 1.00 0.00 C ATOM 1182 O LYS A 77 -6.732 -9.305 -2.812 1.00 0.00 O ATOM 1183 CB LYS A 77 -5.362 -11.581 -0.685 1.00 0.00 C ATOM 1184 CG LYS A 77 -5.568 -12.436 0.553 1.00 0.00 C ATOM 1185 CD LYS A 77 -4.469 -13.474 0.703 1.00 0.00 C ATOM 1186 CE LYS A 77 -4.337 -14.331 -0.547 1.00 0.00 C ATOM 1187 NZ LYS A 77 -3.163 -15.244 -0.471 1.00 0.00 N ATOM 0 H LYS A 77 -8.093 -10.618 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.948 -9.703 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.608 -12.170 -1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.307 -11.317 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.591 -11.799 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.535 -12.935 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.521 -12.975 0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.683 -14.111 1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.245 -14.918 -0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.240 -13.687 -1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.675 -15.259 -1.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.508 -14.907 0.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.485 -16.204 -0.234 1.00 0.00 H new ATOM 1201 N LYS A 78 -4.654 -8.979 -2.016 1.00 0.00 N ATOM 1202 CA LYS A 78 -4.224 -8.179 -3.157 1.00 0.00 C ATOM 1203 C LYS A 78 -2.701 -8.124 -3.239 1.00 0.00 C ATOM 1204 O LYS A 78 -2.035 -7.673 -2.307 1.00 0.00 O ATOM 1205 CB LYS A 78 -4.792 -6.762 -3.056 1.00 0.00 C ATOM 1206 CG LYS A 78 -4.947 -6.072 -4.400 1.00 0.00 C ATOM 1207 CD LYS A 78 -6.118 -5.103 -4.397 1.00 0.00 C ATOM 1208 CE LYS A 78 -7.404 -5.782 -4.840 1.00 0.00 C ATOM 1209 NZ LYS A 78 -8.125 -6.406 -3.696 1.00 0.00 N ATOM 0 H LYS A 78 -3.938 -9.114 -1.302 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.603 -8.651 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.764 -6.803 -2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.139 -6.162 -2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.030 -5.535 -4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.094 -6.820 -5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.249 -4.692 -3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.900 -4.266 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.053 -5.051 -5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.174 -6.545 -5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.118 -6.570 -3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.676 -7.313 -3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.085 -5.772 -2.873 1.00 0.00 H new ATOM 1223 N VAL A 79 -2.157 -8.584 -4.361 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.713 -8.585 -4.566 1.00 0.00 C ATOM 1225 C VAL A 79 -0.283 -7.416 -5.445 1.00 0.00 C ATOM 1226 O VAL A 79 -0.985 -7.040 -6.383 1.00 0.00 O ATOM 1227 CB VAL A 79 -0.238 -9.900 -5.210 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.277 -10.016 -5.134 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.907 -11.092 -4.543 1.00 0.00 C ATOM 0 H VAL A 79 -2.694 -8.961 -5.142 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.253 -8.485 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.525 -9.893 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.594 -10.952 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.733 -9.179 -5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.591 -10.000 -4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.560 -12.013 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.653 -11.105 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.988 -11.013 -4.656 1.00 0.00 H new ATOM 1239 N TYR A 80 0.876 -6.846 -5.135 1.00 0.00 N ATOM 1240 CA TYR A 80 1.400 -5.718 -5.896 1.00 0.00 C ATOM 1241 C TYR A 80 2.806 -6.013 -6.410 1.00 0.00 C ATOM 1242 O TYR A 80 3.618 -6.623 -5.715 1.00 0.00 O ATOM 1243 CB TYR A 80 1.416 -4.456 -5.032 1.00 0.00 C ATOM 1244 CG TYR A 80 0.038 -3.915 -4.725 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.726 -4.450 -3.695 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.500 -2.869 -5.464 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -1.985 -3.960 -3.411 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -1.758 -2.371 -5.186 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.497 -2.920 -4.159 1.00 0.00 C ATOM 1250 OH TYR A 80 -3.752 -2.428 -3.879 1.00 0.00 O ATOM 0 H TYR A 80 1.470 -7.146 -4.362 1.00 0.00 H new ATOM 0 HA TYR A 80 0.746 -5.556 -6.753 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.929 -4.674 -4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.995 -3.685 -5.540 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.328 -5.263 -3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.075 -2.438 -6.270 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.566 -4.388 -2.608 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.161 -1.556 -5.770 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.962 -1.697 -4.497 1.00 0.00 H new ATOM 1260 N MET A 81 3.086 -5.576 -7.634 1.00 0.00 N ATOM 1261 CA MET A 81 4.394 -5.791 -8.242 1.00 0.00 C ATOM 1262 C MET A 81 4.711 -4.693 -9.252 1.00 0.00 C ATOM 1263 O MET A 81 3.875 -3.835 -9.534 1.00 0.00 O ATOM 1264 CB MET A 81 4.443 -7.159 -8.925 1.00 0.00 C ATOM 1265 CG MET A 81 3.739 -7.192 -10.271 1.00 0.00 C ATOM 1266 SD MET A 81 3.746 -8.832 -11.019 1.00 0.00 S ATOM 1267 CE MET A 81 2.682 -9.725 -9.888 1.00 0.00 C ATOM 0 H MET A 81 2.425 -5.071 -8.224 1.00 0.00 H new ATOM 0 HA MET A 81 5.144 -5.760 -7.452 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.484 -7.450 -9.062 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.988 -7.900 -8.268 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.709 -6.858 -10.146 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.223 -6.487 -10.947 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.058 -10.422 -10.448 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.292 -10.278 -9.174 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.047 -9.020 -9.352 1.00 0.00 H new ATOM 1277 N LEU A 82 5.924 -4.727 -9.794 1.00 0.00 N ATOM 1278 CA LEU A 82 6.352 -3.734 -10.773 1.00 0.00 C ATOM 1279 C LEU A 82 5.404 -3.704 -11.968 1.00 0.00 C ATOM 1280 O LEU A 82 4.977 -4.749 -12.461 1.00 0.00 O ATOM 1281 CB LEU A 82 7.776 -4.035 -11.244 1.00 0.00 C ATOM 1282 CG LEU A 82 8.901 -3.575 -10.316 1.00 0.00 C ATOM 1283 CD1 LEU A 82 10.180 -4.345 -10.606 1.00 0.00 C ATOM 1284 CD2 LEU A 82 9.133 -2.078 -10.460 1.00 0.00 C ATOM 0 H LEU A 82 6.628 -5.431 -9.572 1.00 0.00 H new ATOM 0 HA LEU A 82 6.334 -2.755 -10.294 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.869 -5.111 -11.390 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.922 -3.568 -12.218 1.00 0.00 H new ATOM 0 HG LEU A 82 8.604 -3.779 -9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.970 -4.004 -9.936 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.007 -5.410 -10.451 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.482 -4.173 -11.639 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.937 -1.769 -9.792 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.408 -1.850 -11.490 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.220 -1.542 -10.201 1.00 0.00 H new ATOM 1296 N TYR A 83 5.082 -2.502 -12.430 1.00 0.00 N ATOM 1297 CA TYR A 83 4.184 -2.336 -13.568 1.00 0.00 C ATOM 1298 C TYR A 83 4.816 -2.884 -14.844 1.00 0.00 C ATOM 1299 O TYR A 83 4.141 -3.500 -15.668 1.00 0.00 O ATOM 1300 CB TYR A 83 3.831 -0.859 -13.754 1.00 0.00 C ATOM 1301 CG TYR A 83 2.823 -0.612 -14.854 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.631 -1.324 -14.904 1.00 0.00 C ATOM 1303 CD2 TYR A 83 3.063 0.334 -15.843 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.708 -1.101 -15.907 1.00 0.00 C ATOM 1305 CE2 TYR A 83 2.145 0.564 -16.849 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.969 -0.157 -16.877 1.00 0.00 C ATOM 1307 OH TYR A 83 0.051 0.069 -17.878 1.00 0.00 O ATOM 0 H TYR A 83 5.429 -1.628 -12.035 1.00 0.00 H new ATOM 0 HA TYR A 83 3.272 -2.898 -13.365 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.437 -0.467 -12.816 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.741 -0.301 -13.975 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.423 -2.064 -14.146 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.983 0.899 -15.825 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.214 -1.663 -15.931 1.00 0.00 H new ATOM 0 HE2 TYR A 83 2.347 1.304 -17.609 1.00 0.00 H new ATOM 0 HH TYR A 83 0.388 0.766 -18.479 1.00 0.00 H new ATOM 1317 N ASN A 84 6.116 -2.656 -14.999 1.00 0.00 N ATOM 1318 CA ASN A 84 6.840 -3.126 -16.174 1.00 0.00 C ATOM 1319 C ASN A 84 6.863 -4.651 -16.224 1.00 0.00 C ATOM 1320 O ASN A 84 6.891 -5.247 -17.302 1.00 0.00 O ATOM 1321 CB ASN A 84 8.270 -2.583 -16.169 1.00 0.00 C ATOM 1322 CG ASN A 84 8.867 -2.512 -17.561 1.00 0.00 C ATOM 1323 OD1 ASN A 84 8.300 -1.890 -18.460 1.00 0.00 O ATOM 1324 ND2 ASN A 84 10.017 -3.150 -17.745 1.00 0.00 N ATOM 0 H ASN A 84 6.690 -2.149 -14.325 1.00 0.00 H new ATOM 0 HA ASN A 84 6.323 -2.758 -17.060 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.276 -1.588 -15.723 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.895 -3.218 -15.541 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.466 -3.137 -18.661 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.451 -3.653 -16.971 1.00 0.00 H new ATOM 1331 N LEU A 85 6.852 -5.276 -15.052 1.00 0.00 N ATOM 1332 CA LEU A 85 6.871 -6.732 -14.961 1.00 0.00 C ATOM 1333 C LEU A 85 5.480 -7.311 -15.201 1.00 0.00 C ATOM 1334 O LEU A 85 4.482 -6.774 -14.721 1.00 0.00 O ATOM 1335 CB LEU A 85 7.389 -7.170 -13.590 1.00 0.00 C ATOM 1336 CG LEU A 85 8.907 -7.278 -13.449 1.00 0.00 C ATOM 1337 CD1 LEU A 85 9.551 -5.904 -13.542 1.00 0.00 C ATOM 1338 CD2 LEU A 85 9.274 -7.954 -12.136 1.00 0.00 C ATOM 0 H LEU A 85 6.830 -4.798 -14.151 1.00 0.00 H new ATOM 0 HA LEU A 85 7.540 -7.111 -15.733 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.024 -6.464 -12.844 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.952 -8.140 -13.352 1.00 0.00 H new ATOM 0 HG LEU A 85 9.286 -7.890 -14.268 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.632 -6.001 -13.439 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.317 -5.457 -14.508 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.167 -5.267 -12.745 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.359 -8.022 -12.053 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.882 -7.369 -11.304 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.844 -8.955 -12.110 1.00 0.00 H new ATOM 1350 N SER A 86 5.423 -8.410 -15.946 1.00 0.00 N ATOM 1351 CA SER A 86 4.154 -9.062 -16.251 1.00 0.00 C ATOM 1352 C SER A 86 3.965 -10.310 -15.394 1.00 0.00 C ATOM 1353 O SER A 86 4.928 -10.997 -15.056 1.00 0.00 O ATOM 1354 CB SER A 86 4.091 -9.433 -17.734 1.00 0.00 C ATOM 1355 OG SER A 86 4.211 -8.283 -18.553 1.00 0.00 O ATOM 0 H SER A 86 6.240 -8.868 -16.350 1.00 0.00 H new ATOM 0 HA SER A 86 3.350 -8.362 -16.025 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.889 -10.136 -17.970 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.148 -9.938 -17.946 1.00 0.00 H new ATOM 0 HG SER A 86 4.169 -8.547 -19.496 1.00 0.00 H new ATOM 1361 N GLY A 87 2.714 -10.597 -15.046 1.00 0.00 N ATOM 1362 CA GLY A 87 2.419 -11.761 -14.231 1.00 0.00 C ATOM 1363 C GLY A 87 1.510 -12.747 -14.937 1.00 0.00 C ATOM 1364 O GLY A 87 1.326 -12.694 -16.154 1.00 0.00 O ATOM 0 H GLY A 87 1.900 -10.044 -15.314 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.351 -12.259 -13.963 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.950 -11.440 -13.301 1.00 0.00 H new ATOM 1368 N PRO A 88 0.924 -13.675 -14.166 1.00 0.00 N ATOM 1369 CA PRO A 88 0.020 -14.696 -14.704 1.00 0.00 C ATOM 1370 C PRO A 88 -1.306 -14.107 -15.173 1.00 0.00 C ATOM 1371 O PRO A 88 -1.583 -12.928 -14.958 1.00 0.00 O ATOM 1372 CB PRO A 88 -0.202 -15.635 -13.516 1.00 0.00 C ATOM 1373 CG PRO A 88 0.037 -14.787 -12.314 1.00 0.00 C ATOM 1374 CD PRO A 88 1.098 -13.798 -12.709 1.00 0.00 C ATOM 0 HA PRO A 88 0.438 -15.189 -15.582 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -1.212 -16.044 -13.518 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.484 -16.481 -13.546 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.877 -14.278 -12.008 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.363 -15.392 -11.468 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.962 -12.841 -12.206 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.095 -14.155 -12.452 1.00 0.00 H new ATOM 1382 N SER A 89 -2.122 -14.937 -15.815 1.00 0.00 N ATOM 1383 CA SER A 89 -3.419 -14.497 -16.318 1.00 0.00 C ATOM 1384 C SER A 89 -4.412 -14.316 -15.174 1.00 0.00 C ATOM 1385 O SER A 89 -5.005 -15.281 -14.693 1.00 0.00 O ATOM 1386 CB SER A 89 -3.967 -15.507 -17.328 1.00 0.00 C ATOM 1387 OG SER A 89 -4.018 -16.809 -16.772 1.00 0.00 O ATOM 0 H SER A 89 -1.908 -15.917 -15.999 1.00 0.00 H new ATOM 0 HA SER A 89 -3.282 -13.536 -16.813 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.965 -15.204 -17.645 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.338 -15.513 -18.218 1.00 0.00 H new ATOM 0 HG SER A 89 -4.357 -16.760 -15.854 1.00 0.00 H new ATOM 1393 N SER A 90 -4.587 -13.071 -14.743 1.00 0.00 N ATOM 1394 CA SER A 90 -5.505 -12.761 -13.653 1.00 0.00 C ATOM 1395 C SER A 90 -6.724 -12.002 -14.168 1.00 0.00 C ATOM 1396 O SER A 90 -6.618 -10.855 -14.600 1.00 0.00 O ATOM 1397 CB SER A 90 -4.794 -11.937 -12.577 1.00 0.00 C ATOM 1398 OG SER A 90 -4.310 -10.715 -13.108 1.00 0.00 O ATOM 0 H SER A 90 -4.105 -12.260 -15.132 1.00 0.00 H new ATOM 0 HA SER A 90 -5.842 -13.701 -13.217 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.482 -11.734 -11.756 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.965 -12.511 -12.163 1.00 0.00 H new ATOM 0 HG SER A 90 -4.954 -10.363 -13.758 1.00 0.00 H new ATOM 1404 N GLY A 91 -7.883 -12.652 -14.118 1.00 0.00 N ATOM 1405 CA GLY A 91 -9.106 -12.024 -14.583 1.00 0.00 C ATOM 1406 C GLY A 91 -10.133 -13.034 -15.053 1.00 0.00 C ATOM 1407 O GLY A 91 -11.296 -12.979 -14.653 1.00 0.00 O ATOM 0 H GLY A 91 -7.997 -13.602 -13.764 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.532 -11.425 -13.778 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.872 -11.341 -15.400 1.00 0.00 H new TER 1411 GLY A 91