USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 923 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -158:sc= -0.0786 (180deg=-0.795) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.015 (180deg=-0.303) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.892 USER MOD Single : A 25 ASN : amide:sc= -2.23! C(o=-2.2!,f=-6.3!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.54 K(o=-1.5,f=-9.9!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc=-0.00475 K(o=-0.0047,f=-0.63) USER MOD Single : A 38 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.18) USER MOD Single : A 46 MET CE :methyl 174:sc= 0 (180deg=-0.0211) USER MOD Single : A 49 ASN : amide:sc= -3.56! K(o=-3.6!,f=-2.1) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.0813 (180deg=-0.533) USER MOD Single : A 58 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.4) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -160:sc= -0.574 USER MOD Single : A 71 GLN : amide:sc= -1.4! K(o=-1.4!,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -82:sc= 0.759 USER MOD Single : A 83 LYS NZ :NH3+ -120:sc= -1.33 (180deg=-3.57!) USER MOD Single : A 85 LYS NZ :NH3+ 160:sc= -0.0641 (180deg=-0.477) USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.156) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -138:sc= -0.0379 (180deg=-0.522) USER MOD Single : A 92 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2.4!) USER MOD Single : A 94 LYS NZ :NH3+ -147:sc= -0.0601 (180deg=-0.617) USER MOD Single : A 95 MET CE :methyl 151:sc= -0.077 (180deg=-0.667) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 CYS SG : rot -26:sc= -0.277 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -29:sc= 1.08 USER MOD Single : A 116 THR OG1 : rot 59:sc= 0.0756 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -52.677 41.328 -34.663 1.00 0.00 N ATOM 2 CA MET A 1 -52.302 42.770 -34.652 1.00 0.00 C ATOM 3 C MET A 1 -52.785 43.407 -33.354 1.00 0.00 C ATOM 4 O MET A 1 -51.985 43.744 -32.481 1.00 0.00 O ATOM 5 CB MET A 1 -52.945 43.471 -35.848 1.00 0.00 C ATOM 6 CG MET A 1 -52.323 42.942 -37.143 1.00 0.00 C ATOM 7 SD MET A 1 -53.000 43.857 -38.553 1.00 0.00 S ATOM 8 CE MET A 1 -54.671 43.166 -38.502 1.00 0.00 C ATOM 0 H1 MET A 1 -52.130 40.833 -35.395 1.00 0.00 H new ATOM 0 H2 MET A 1 -52.471 40.909 -33.734 1.00 0.00 H new ATOM 0 H3 MET A 1 -53.692 41.235 -34.867 1.00 0.00 H new ATOM 0 HA MET A 1 -51.219 42.870 -34.719 1.00 0.00 H new ATOM 0 HB2 MET A 1 -54.021 43.296 -35.851 1.00 0.00 H new ATOM 0 HB3 MET A 1 -52.797 44.548 -35.774 1.00 0.00 H new ATOM 0 HG2 MET A 1 -51.239 43.052 -37.110 1.00 0.00 H new ATOM 0 HG3 MET A 1 -52.532 41.878 -37.252 1.00 0.00 H new ATOM 0 HE1 MET A 1 -55.141 43.277 -39.479 1.00 0.00 H new ATOM 0 HE2 MET A 1 -54.620 42.109 -38.242 1.00 0.00 H new ATOM 0 HE3 MET A 1 -55.261 43.696 -37.754 1.00 0.00 H new ATOM 18 N SER A 2 -54.099 43.573 -33.235 1.00 0.00 N ATOM 19 CA SER A 2 -54.678 44.175 -32.039 1.00 0.00 C ATOM 20 C SER A 2 -54.739 43.157 -30.905 1.00 0.00 C ATOM 21 O SER A 2 -55.077 43.497 -29.771 1.00 0.00 O ATOM 22 CB SER A 2 -56.086 44.687 -32.342 1.00 0.00 C ATOM 23 OG SER A 2 -56.018 45.667 -33.371 1.00 0.00 O ATOM 0 H SER A 2 -54.778 43.302 -33.946 1.00 0.00 H new ATOM 0 HA SER A 2 -54.047 45.009 -31.732 1.00 0.00 H new ATOM 0 HB2 SER A 2 -56.727 43.862 -32.652 1.00 0.00 H new ATOM 0 HB3 SER A 2 -56.531 45.116 -31.444 1.00 0.00 H new ATOM 0 HG SER A 2 -56.919 45.996 -33.569 1.00 0.00 H new ATOM 29 N ALA A 3 -54.411 41.908 -31.220 1.00 0.00 N ATOM 30 CA ALA A 3 -54.434 40.848 -30.218 1.00 0.00 C ATOM 31 C ALA A 3 -53.375 41.099 -29.153 1.00 0.00 C ATOM 32 O ALA A 3 -52.271 41.552 -29.455 1.00 0.00 O ATOM 33 CB ALA A 3 -54.178 39.495 -30.883 1.00 0.00 C ATOM 0 H ALA A 3 -54.128 41.607 -32.153 1.00 0.00 H new ATOM 0 HA ALA A 3 -55.416 40.841 -29.746 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -54.197 38.709 -30.128 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -54.952 39.303 -31.626 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -53.203 39.507 -31.369 1.00 0.00 H new ATOM 39 N THR A 4 -53.717 40.805 -27.902 1.00 0.00 N ATOM 40 CA THR A 4 -52.787 41.001 -26.790 1.00 0.00 C ATOM 41 C THR A 4 -52.163 39.675 -26.374 1.00 0.00 C ATOM 42 O THR A 4 -51.381 39.616 -25.427 1.00 0.00 O ATOM 43 CB THR A 4 -53.522 41.618 -25.599 1.00 0.00 C ATOM 44 OG1 THR A 4 -54.488 40.700 -25.110 1.00 0.00 O ATOM 45 CG2 THR A 4 -54.217 42.909 -26.037 1.00 0.00 C ATOM 0 H THR A 4 -54.627 40.432 -27.632 1.00 0.00 H new ATOM 0 HA THR A 4 -51.995 41.675 -27.117 1.00 0.00 H new ATOM 0 HB THR A 4 -52.805 41.844 -24.810 1.00 0.00 H new ATOM 0 HG1 THR A 4 -54.957 41.095 -24.346 1.00 0.00 H new ATOM 0 HG21 THR A 4 -54.740 43.347 -25.187 1.00 0.00 H new ATOM 0 HG22 THR A 4 -53.474 43.614 -26.408 1.00 0.00 H new ATOM 0 HG23 THR A 4 -54.933 42.686 -26.828 1.00 0.00 H new ATOM 53 N ALA A 5 -52.516 38.609 -27.088 1.00 0.00 N ATOM 54 CA ALA A 5 -51.983 37.286 -26.782 1.00 0.00 C ATOM 55 C ALA A 5 -52.382 36.863 -25.372 1.00 0.00 C ATOM 56 O ALA A 5 -53.123 37.568 -24.688 1.00 0.00 O ATOM 57 CB ALA A 5 -50.458 37.296 -26.901 1.00 0.00 C ATOM 0 H ALA A 5 -53.163 38.635 -27.876 1.00 0.00 H new ATOM 0 HA ALA A 5 -52.397 36.574 -27.495 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -50.069 36.304 -26.671 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -50.174 37.571 -27.917 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -50.043 38.020 -26.200 1.00 0.00 H new ATOM 63 N ALA A 6 -51.886 35.707 -24.944 1.00 0.00 N ATOM 64 CA ALA A 6 -52.198 35.198 -23.612 1.00 0.00 C ATOM 65 C ALA A 6 -51.155 34.179 -23.173 1.00 0.00 C ATOM 66 O ALA A 6 -50.082 34.078 -23.765 1.00 0.00 O ATOM 67 CB ALA A 6 -53.582 34.547 -23.614 1.00 0.00 C ATOM 0 H ALA A 6 -51.271 35.108 -25.495 1.00 0.00 H new ATOM 0 HA ALA A 6 -52.191 36.033 -22.912 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -53.808 34.169 -22.617 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -54.331 35.285 -23.901 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -53.595 33.722 -24.326 1.00 0.00 H new ATOM 73 N THR A 7 -51.477 33.421 -22.126 1.00 0.00 N ATOM 74 CA THR A 7 -50.560 32.407 -21.613 1.00 0.00 C ATOM 75 C THR A 7 -51.335 31.235 -21.026 1.00 0.00 C ATOM 76 O THR A 7 -52.433 31.406 -20.494 1.00 0.00 O ATOM 77 CB THR A 7 -49.659 33.019 -20.540 1.00 0.00 C ATOM 78 OG1 THR A 7 -48.908 31.990 -19.913 1.00 0.00 O ATOM 79 CG2 THR A 7 -50.517 33.737 -19.497 1.00 0.00 C ATOM 0 H THR A 7 -52.360 33.489 -21.620 1.00 0.00 H new ATOM 0 HA THR A 7 -49.947 32.043 -22.437 1.00 0.00 H new ATOM 0 HB THR A 7 -48.980 33.736 -21.001 1.00 0.00 H new ATOM 0 HG1 THR A 7 -48.328 32.380 -19.226 1.00 0.00 H new ATOM 0 HG21 THR A 7 -49.873 34.172 -18.733 1.00 0.00 H new ATOM 0 HG22 THR A 7 -51.092 34.527 -19.980 1.00 0.00 H new ATOM 0 HG23 THR A 7 -51.199 33.024 -19.033 1.00 0.00 H new ATOM 87 N VAL A 8 -50.756 30.045 -21.121 1.00 0.00 N ATOM 88 CA VAL A 8 -51.397 28.851 -20.594 1.00 0.00 C ATOM 89 C VAL A 8 -50.446 27.657 -20.657 1.00 0.00 C ATOM 90 O VAL A 8 -50.810 26.567 -21.095 1.00 0.00 O ATOM 91 CB VAL A 8 -52.665 28.541 -21.390 1.00 0.00 C ATOM 92 CG1 VAL A 8 -52.303 28.331 -22.869 1.00 0.00 C ATOM 93 CG2 VAL A 8 -53.336 27.263 -20.826 1.00 0.00 C ATOM 0 H VAL A 8 -49.848 29.883 -21.556 1.00 0.00 H new ATOM 0 HA VAL A 8 -51.661 29.035 -19.552 1.00 0.00 H new ATOM 0 HB VAL A 8 -53.361 29.376 -21.305 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -53.207 28.110 -23.437 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -51.840 29.236 -23.262 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -51.606 27.498 -22.958 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -54.239 27.045 -21.395 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -52.645 26.424 -20.906 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -53.596 27.420 -19.779 1.00 0.00 H new ATOM 103 N PRO A 9 -49.238 27.843 -20.226 1.00 0.00 N ATOM 104 CA PRO A 9 -48.212 26.767 -20.233 1.00 0.00 C ATOM 105 C PRO A 9 -48.621 25.566 -19.377 1.00 0.00 C ATOM 106 O PRO A 9 -49.553 25.650 -18.577 1.00 0.00 O ATOM 107 CB PRO A 9 -46.951 27.451 -19.662 1.00 0.00 C ATOM 108 CG PRO A 9 -47.463 28.649 -18.930 1.00 0.00 C ATOM 109 CD PRO A 9 -48.707 29.095 -19.681 1.00 0.00 C ATOM 0 HA PRO A 9 -48.062 26.358 -21.232 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -46.407 26.783 -18.995 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -46.263 27.738 -20.457 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -47.699 28.403 -17.895 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -46.715 29.442 -18.907 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -49.424 29.582 -19.019 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -48.467 29.808 -20.470 1.00 0.00 H new ATOM 117 N PRO A 10 -47.927 24.467 -19.518 1.00 0.00 N ATOM 118 CA PRO A 10 -48.208 23.233 -18.727 1.00 0.00 C ATOM 119 C PRO A 10 -48.288 23.512 -17.228 1.00 0.00 C ATOM 120 O PRO A 10 -47.508 24.296 -16.689 1.00 0.00 O ATOM 121 CB PRO A 10 -47.018 22.312 -19.048 1.00 0.00 C ATOM 122 CG PRO A 10 -46.499 22.784 -20.371 1.00 0.00 C ATOM 123 CD PRO A 10 -46.796 24.276 -20.447 1.00 0.00 C ATOM 0 HA PRO A 10 -49.173 22.797 -18.985 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -46.250 22.379 -18.278 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -47.330 21.269 -19.097 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -45.429 22.597 -20.456 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -46.982 22.250 -21.190 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -45.932 24.870 -20.150 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -47.058 24.579 -21.461 1.00 0.00 H new ATOM 131 N ALA A 11 -49.235 22.859 -16.561 1.00 0.00 N ATOM 132 CA ALA A 11 -49.410 23.041 -15.127 1.00 0.00 C ATOM 133 C ALA A 11 -48.411 22.188 -14.356 1.00 0.00 C ATOM 134 O ALA A 11 -47.747 21.324 -14.926 1.00 0.00 O ATOM 135 CB ALA A 11 -50.833 22.657 -14.721 1.00 0.00 C ATOM 0 H ALA A 11 -49.889 22.203 -16.989 1.00 0.00 H new ATOM 0 HA ALA A 11 -49.237 24.090 -14.888 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -50.955 22.796 -13.647 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -51.546 23.288 -15.252 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -51.014 21.612 -14.974 1.00 0.00 H new ATOM 141 N ALA A 12 -48.309 22.436 -13.054 1.00 0.00 N ATOM 142 CA ALA A 12 -47.384 21.684 -12.210 1.00 0.00 C ATOM 143 C ALA A 12 -47.888 21.641 -10.774 1.00 0.00 C ATOM 144 O ALA A 12 -47.361 22.321 -9.894 1.00 0.00 O ATOM 145 CB ALA A 12 -46.000 22.329 -12.247 1.00 0.00 C ATOM 0 H ALA A 12 -48.851 23.147 -12.562 1.00 0.00 H new ATOM 0 HA ALA A 12 -47.319 20.665 -12.592 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -45.317 21.761 -11.615 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -45.628 22.333 -13.271 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -46.066 23.354 -11.881 1.00 0.00 H new ATOM 151 N PRO A 13 -48.898 20.854 -10.523 1.00 0.00 N ATOM 152 CA PRO A 13 -49.496 20.711 -9.162 1.00 0.00 C ATOM 153 C PRO A 13 -48.484 20.199 -8.148 1.00 0.00 C ATOM 154 O PRO A 13 -47.611 19.398 -8.479 1.00 0.00 O ATOM 155 CB PRO A 13 -50.639 19.693 -9.362 1.00 0.00 C ATOM 156 CG PRO A 13 -50.917 19.701 -10.833 1.00 0.00 C ATOM 157 CD PRO A 13 -49.587 20.013 -11.511 1.00 0.00 C ATOM 0 HA PRO A 13 -49.841 21.666 -8.765 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -50.346 18.700 -9.022 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -51.524 19.977 -8.792 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -51.306 18.737 -11.162 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -51.668 20.450 -11.084 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -49.024 19.106 -11.731 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -49.730 20.536 -12.456 1.00 0.00 H new ATOM 165 N ALA A 14 -48.612 20.656 -6.903 1.00 0.00 N ATOM 166 CA ALA A 14 -47.703 20.234 -5.836 1.00 0.00 C ATOM 167 C ALA A 14 -48.489 19.733 -4.631 1.00 0.00 C ATOM 168 O ALA A 14 -47.967 19.684 -3.518 1.00 0.00 O ATOM 169 CB ALA A 14 -46.814 21.405 -5.422 1.00 0.00 C ATOM 0 H ALA A 14 -49.332 21.315 -6.608 1.00 0.00 H new ATOM 0 HA ALA A 14 -47.081 19.420 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -46.139 21.086 -4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -46.232 21.741 -6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -47.436 22.225 -5.063 1.00 0.00 H new ATOM 175 N GLY A 15 -49.744 19.359 -4.859 1.00 0.00 N ATOM 176 CA GLY A 15 -50.590 18.860 -3.781 1.00 0.00 C ATOM 177 C GLY A 15 -50.034 17.560 -3.211 1.00 0.00 C ATOM 178 O GLY A 15 -50.148 17.297 -2.013 1.00 0.00 O ATOM 0 H GLY A 15 -50.195 19.391 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -50.659 19.608 -2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -51.601 18.696 -4.153 1.00 0.00 H new ATOM 182 N GLU A 16 -49.435 16.749 -4.076 1.00 0.00 N ATOM 183 CA GLU A 16 -48.867 15.476 -3.646 1.00 0.00 C ATOM 184 C GLU A 16 -47.758 15.703 -2.624 1.00 0.00 C ATOM 185 O GLU A 16 -46.945 16.617 -2.767 1.00 0.00 O ATOM 186 CB GLU A 16 -48.304 14.721 -4.851 1.00 0.00 C ATOM 187 CG GLU A 16 -49.450 14.306 -5.776 1.00 0.00 C ATOM 188 CD GLU A 16 -48.898 13.575 -6.996 1.00 0.00 C ATOM 189 OE1 GLU A 16 -47.698 13.364 -7.041 1.00 0.00 O ATOM 190 OE2 GLU A 16 -49.683 13.238 -7.864 1.00 0.00 O ATOM 0 H GLU A 16 -49.330 16.948 -5.071 1.00 0.00 H new ATOM 0 HA GLU A 16 -49.658 14.885 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -47.597 15.352 -5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -47.755 13.840 -4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -50.146 13.661 -5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -50.010 15.186 -6.092 1.00 0.00 H new ATOM 197 N GLY A 17 -47.731 14.868 -1.591 1.00 0.00 N ATOM 198 CA GLY A 17 -46.715 14.987 -0.549 1.00 0.00 C ATOM 199 C GLY A 17 -46.649 13.722 0.296 1.00 0.00 C ATOM 200 O GLY A 17 -45.617 13.417 0.894 1.00 0.00 O ATOM 0 H GLY A 17 -48.395 14.106 -1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -45.743 15.176 -1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -46.940 15.843 0.088 1.00 0.00 H new ATOM 204 N GLY A 18 -47.756 12.987 0.342 1.00 0.00 N ATOM 205 CA GLY A 18 -47.811 11.754 1.117 1.00 0.00 C ATOM 206 C GLY A 18 -46.595 10.880 0.829 1.00 0.00 C ATOM 207 O GLY A 18 -45.882 10.468 1.746 1.00 0.00 O ATOM 0 H GLY A 18 -48.621 13.222 -0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -47.852 11.989 2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -48.723 11.208 0.876 1.00 0.00 H new ATOM 211 N PRO A 19 -46.353 10.593 -0.421 1.00 0.00 N ATOM 212 CA PRO A 19 -45.203 9.747 -0.841 1.00 0.00 C ATOM 213 C PRO A 19 -43.876 10.255 -0.269 1.00 0.00 C ATOM 214 O PRO A 19 -43.736 11.441 0.035 1.00 0.00 O ATOM 215 CB PRO A 19 -45.208 9.838 -2.378 1.00 0.00 C ATOM 216 CG PRO A 19 -46.608 10.217 -2.742 1.00 0.00 C ATOM 217 CD PRO A 19 -47.152 11.039 -1.570 1.00 0.00 C ATOM 0 HA PRO A 19 -45.299 8.725 -0.476 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -44.494 10.582 -2.731 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -44.927 8.887 -2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -46.626 10.797 -3.665 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -47.219 9.330 -2.911 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -47.036 12.109 -1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -48.215 10.855 -1.413 1.00 0.00 H new ATOM 225 N PRO A 20 -42.907 9.390 -0.139 1.00 0.00 N ATOM 226 CA PRO A 20 -41.564 9.757 0.395 1.00 0.00 C ATOM 227 C PRO A 20 -40.815 10.708 -0.536 1.00 0.00 C ATOM 228 O PRO A 20 -40.955 10.638 -1.757 1.00 0.00 O ATOM 229 CB PRO A 20 -40.835 8.405 0.515 1.00 0.00 C ATOM 230 CG PRO A 20 -41.536 7.497 -0.447 1.00 0.00 C ATOM 231 CD PRO A 20 -42.985 7.962 -0.488 1.00 0.00 C ATOM 0 HA PRO A 20 -41.631 10.291 1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -39.778 8.503 0.266 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -40.888 8.018 1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -41.081 7.551 -1.436 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -41.469 6.459 -0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -43.424 7.815 -1.475 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -43.602 7.410 0.221 1.00 0.00 H new ATOM 239 N ALA A 21 -40.011 11.586 0.053 1.00 0.00 N ATOM 240 CA ALA A 21 -39.245 12.538 -0.727 1.00 0.00 C ATOM 241 C ALA A 21 -38.464 11.827 -1.833 1.00 0.00 C ATOM 242 O ALA A 21 -38.108 10.657 -1.690 1.00 0.00 O ATOM 243 CB ALA A 21 -38.268 13.305 0.183 1.00 0.00 C ATOM 0 H ALA A 21 -39.876 11.655 1.062 1.00 0.00 H new ATOM 0 HA ALA A 21 -39.941 13.241 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -37.698 14.017 -0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -38.829 13.840 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -37.585 12.601 0.658 1.00 0.00 H new ATOM 249 N PRO A 22 -38.186 12.523 -2.912 1.00 0.00 N ATOM 250 CA PRO A 22 -37.434 11.965 -4.054 1.00 0.00 C ATOM 251 C PRO A 22 -35.991 11.599 -3.660 1.00 0.00 C ATOM 252 O PRO A 22 -35.177 12.486 -3.386 1.00 0.00 O ATOM 253 CB PRO A 22 -37.465 13.070 -5.117 1.00 0.00 C ATOM 254 CG PRO A 22 -37.719 14.321 -4.354 1.00 0.00 C ATOM 255 CD PRO A 22 -38.559 13.918 -3.150 1.00 0.00 C ATOM 0 HA PRO A 22 -37.874 11.036 -4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -36.522 13.123 -5.661 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -38.248 12.889 -5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -36.783 14.782 -4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -38.244 15.052 -4.968 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -38.342 14.543 -2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -39.625 14.017 -3.355 1.00 0.00 H new ATOM 263 N PRO A 23 -35.657 10.330 -3.664 1.00 0.00 N ATOM 264 CA PRO A 23 -34.281 9.858 -3.323 1.00 0.00 C ATOM 265 C PRO A 23 -33.203 10.644 -4.063 1.00 0.00 C ATOM 266 O PRO A 23 -32.183 11.024 -3.484 1.00 0.00 O ATOM 267 CB PRO A 23 -34.274 8.373 -3.740 1.00 0.00 C ATOM 268 CG PRO A 23 -35.719 7.956 -3.753 1.00 0.00 C ATOM 269 CD PRO A 23 -36.555 9.209 -4.001 1.00 0.00 C ATOM 0 HA PRO A 23 -34.056 9.999 -2.266 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -33.818 8.243 -4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -33.697 7.770 -3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -35.897 7.215 -4.533 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -35.993 7.493 -2.805 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -36.887 9.265 -5.038 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -37.450 9.218 -3.379 1.00 0.00 H new ATOM 277 N PRO A 24 -33.404 10.888 -5.335 1.00 0.00 N ATOM 278 CA PRO A 24 -32.428 11.645 -6.170 1.00 0.00 C ATOM 279 C PRO A 24 -32.185 13.049 -5.631 1.00 0.00 C ATOM 280 O PRO A 24 -33.098 13.696 -5.120 1.00 0.00 O ATOM 281 CB PRO A 24 -33.101 11.696 -7.561 1.00 0.00 C ATOM 282 CG PRO A 24 -34.102 10.593 -7.557 1.00 0.00 C ATOM 283 CD PRO A 24 -34.575 10.476 -6.136 1.00 0.00 C ATOM 0 HA PRO A 24 -31.446 11.173 -6.185 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -33.580 12.660 -7.731 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -32.369 11.559 -8.357 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -34.931 10.815 -8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -33.656 9.659 -7.899 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -35.434 11.119 -5.947 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -34.882 9.457 -5.900 1.00 0.00 H new ATOM 291 N ASN A 25 -30.950 13.519 -5.757 1.00 0.00 N ATOM 292 CA ASN A 25 -30.595 14.852 -5.282 1.00 0.00 C ATOM 293 C ASN A 25 -29.529 15.468 -6.171 1.00 0.00 C ATOM 294 O ASN A 25 -28.478 14.871 -6.399 1.00 0.00 O ATOM 295 CB ASN A 25 -30.078 14.770 -3.845 1.00 0.00 C ATOM 296 CG ASN A 25 -28.951 13.748 -3.754 1.00 0.00 C ATOM 297 OD1 ASN A 25 -28.546 13.174 -4.764 1.00 0.00 O ATOM 298 ND2 ASN A 25 -28.416 13.484 -2.591 1.00 0.00 N ATOM 0 H ASN A 25 -30.181 13.001 -6.182 1.00 0.00 H new ATOM 0 HA ASN A 25 -31.485 15.480 -5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -29.720 15.748 -3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -30.889 14.490 -3.173 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -27.662 12.801 -2.520 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -28.753 13.961 -1.755 1.00 0.00 H new ATOM 305 N LEU A 26 -29.805 16.672 -6.672 1.00 0.00 N ATOM 306 CA LEU A 26 -28.860 17.368 -7.536 1.00 0.00 C ATOM 307 C LEU A 26 -28.282 18.581 -6.826 1.00 0.00 C ATOM 308 O LEU A 26 -29.018 19.439 -6.343 1.00 0.00 O ATOM 309 CB LEU A 26 -29.559 17.814 -8.824 1.00 0.00 C ATOM 310 CG LEU A 26 -28.529 18.408 -9.796 1.00 0.00 C ATOM 311 CD1 LEU A 26 -27.506 17.330 -10.204 1.00 0.00 C ATOM 312 CD2 LEU A 26 -29.247 18.930 -11.041 1.00 0.00 C ATOM 0 H LEU A 26 -30.671 17.181 -6.494 1.00 0.00 H new ATOM 0 HA LEU A 26 -28.049 16.683 -7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -30.063 16.966 -9.287 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -30.326 18.554 -8.595 1.00 0.00 H new ATOM 0 HG LEU A 26 -28.005 19.228 -9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -26.780 17.760 -10.893 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -26.991 16.963 -9.316 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -28.023 16.503 -10.691 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -28.517 19.352 -11.732 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -29.775 18.110 -11.527 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -29.961 19.701 -10.753 1.00 0.00 H new ATOM 324 N THR A 27 -26.954 18.655 -6.773 1.00 0.00 N ATOM 325 CA THR A 27 -26.280 19.778 -6.121 1.00 0.00 C ATOM 326 C THR A 27 -25.114 20.265 -6.970 1.00 0.00 C ATOM 327 O THR A 27 -24.575 19.522 -7.789 1.00 0.00 O ATOM 328 CB THR A 27 -25.771 19.348 -4.746 1.00 0.00 C ATOM 329 OG1 THR A 27 -24.831 18.292 -4.898 1.00 0.00 O ATOM 330 CG2 THR A 27 -26.947 18.870 -3.893 1.00 0.00 C ATOM 0 H THR A 27 -26.326 17.956 -7.170 1.00 0.00 H new ATOM 0 HA THR A 27 -26.994 20.593 -6.005 1.00 0.00 H new ATOM 0 HB THR A 27 -25.289 20.194 -4.255 1.00 0.00 H new ATOM 0 HG1 THR A 27 -24.503 18.017 -4.017 1.00 0.00 H new ATOM 0 HG21 THR A 27 -26.584 18.563 -2.912 1.00 0.00 H new ATOM 0 HG22 THR A 27 -27.666 19.681 -3.777 1.00 0.00 H new ATOM 0 HG23 THR A 27 -27.431 18.024 -4.382 1.00 0.00 H new ATOM 338 N SER A 28 -24.724 21.519 -6.767 1.00 0.00 N ATOM 339 CA SER A 28 -23.612 22.101 -7.517 1.00 0.00 C ATOM 340 C SER A 28 -22.708 22.906 -6.595 1.00 0.00 C ATOM 341 O SER A 28 -21.486 22.891 -6.742 1.00 0.00 O ATOM 342 CB SER A 28 -24.150 23.007 -8.625 1.00 0.00 C ATOM 343 OG SER A 28 -24.972 24.016 -8.050 1.00 0.00 O ATOM 0 H SER A 28 -25.157 22.151 -6.094 1.00 0.00 H new ATOM 0 HA SER A 28 -23.032 21.291 -7.958 1.00 0.00 H new ATOM 0 HB2 SER A 28 -23.324 23.462 -9.171 1.00 0.00 H new ATOM 0 HB3 SER A 28 -24.723 22.421 -9.344 1.00 0.00 H new ATOM 0 HG SER A 28 -25.317 24.600 -8.758 1.00 0.00 H new ATOM 349 N ASN A 29 -23.313 23.613 -5.645 1.00 0.00 N ATOM 350 CA ASN A 29 -22.546 24.429 -4.704 1.00 0.00 C ATOM 351 C ASN A 29 -22.281 23.650 -3.423 1.00 0.00 C ATOM 352 O ASN A 29 -23.186 23.035 -2.859 1.00 0.00 O ATOM 353 CB ASN A 29 -23.318 25.707 -4.373 1.00 0.00 C ATOM 354 CG ASN A 29 -22.425 26.665 -3.592 1.00 0.00 C ATOM 355 OD1 ASN A 29 -21.424 26.247 -3.009 1.00 0.00 O ATOM 356 ND2 ASN A 29 -22.729 27.934 -3.545 1.00 0.00 N ATOM 0 H ASN A 29 -24.323 23.639 -5.505 1.00 0.00 H new ATOM 0 HA ASN A 29 -21.594 24.689 -5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -23.661 26.183 -5.291 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -24.206 25.465 -3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -22.137 28.581 -3.025 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -23.559 28.278 -4.029 1.00 0.00 H new ATOM 363 N ARG A 30 -21.033 23.677 -2.965 1.00 0.00 N ATOM 364 CA ARG A 30 -20.654 22.971 -1.740 1.00 0.00 C ATOM 365 C ARG A 30 -19.801 23.866 -0.851 1.00 0.00 C ATOM 366 O ARG A 30 -18.677 24.221 -1.204 1.00 0.00 O ATOM 367 CB ARG A 30 -19.872 21.704 -2.096 1.00 0.00 C ATOM 368 CG ARG A 30 -19.561 20.921 -0.818 1.00 0.00 C ATOM 369 CD ARG A 30 -18.836 19.625 -1.179 1.00 0.00 C ATOM 370 NE ARG A 30 -19.726 18.736 -1.915 1.00 0.00 N ATOM 371 CZ ARG A 30 -19.286 17.592 -2.428 1.00 0.00 C ATOM 372 NH1 ARG A 30 -18.035 17.249 -2.277 1.00 0.00 N ATOM 373 NH2 ARG A 30 -20.102 16.813 -3.084 1.00 0.00 N ATOM 0 H ARG A 30 -20.269 24.177 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 30 -21.560 22.700 -1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -20.452 21.086 -2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -18.947 21.967 -2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -18.943 21.523 -0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -20.483 20.697 -0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.955 19.849 -1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -18.486 19.131 -0.272 1.00 0.00 H new ATOM 0 HE ARG A 30 -20.704 18.997 -2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -17.397 17.859 -1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -17.696 16.371 -2.670 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -21.079 17.082 -3.203 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -19.763 15.935 -3.477 1.00 0.00 H new ATOM 387 N ARG A 31 -20.341 24.227 0.311 1.00 0.00 N ATOM 388 CA ARG A 31 -19.623 25.077 1.250 1.00 0.00 C ATOM 389 C ARG A 31 -18.745 24.237 2.176 1.00 0.00 C ATOM 390 O ARG A 31 -17.912 24.771 2.908 1.00 0.00 O ATOM 391 CB ARG A 31 -20.614 25.890 2.083 1.00 0.00 C ATOM 392 CG ARG A 31 -21.362 26.870 1.175 1.00 0.00 C ATOM 393 CD ARG A 31 -22.414 27.621 1.992 1.00 0.00 C ATOM 394 NE ARG A 31 -23.481 26.714 2.399 1.00 0.00 N ATOM 395 CZ ARG A 31 -24.494 27.135 3.147 1.00 0.00 C ATOM 396 NH1 ARG A 31 -24.547 28.381 3.530 1.00 0.00 N ATOM 397 NH2 ARG A 31 -25.437 26.303 3.497 1.00 0.00 N ATOM 0 H ARG A 31 -21.270 23.944 0.622 1.00 0.00 H new ATOM 0 HA ARG A 31 -18.986 25.754 0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -21.321 25.224 2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -20.086 26.434 2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.661 27.575 0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -21.839 26.332 0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -21.951 28.067 2.872 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -22.828 28.438 1.401 1.00 0.00 H new ATOM 0 HE ARG A 31 -23.448 25.738 2.104 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -23.811 29.031 3.255 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -25.325 28.705 4.105 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -25.396 25.329 3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -26.215 26.627 4.072 1.00 0.00 H new ATOM 411 N LEU A 32 -18.937 22.924 2.139 1.00 0.00 N ATOM 412 CA LEU A 32 -18.161 22.019 2.973 1.00 0.00 C ATOM 413 C LEU A 32 -16.682 22.104 2.621 1.00 0.00 C ATOM 414 O LEU A 32 -15.820 21.831 3.456 1.00 0.00 O ATOM 415 CB LEU A 32 -18.653 20.583 2.793 1.00 0.00 C ATOM 416 CG LEU A 32 -20.163 20.524 3.044 1.00 0.00 C ATOM 417 CD1 LEU A 32 -20.674 19.110 2.757 1.00 0.00 C ATOM 418 CD2 LEU A 32 -20.462 20.889 4.508 1.00 0.00 C ATOM 0 H LEU A 32 -19.623 22.464 1.541 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.292 22.314 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.427 20.234 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -18.133 19.920 3.484 1.00 0.00 H new ATOM 0 HG LEU A 32 -20.664 21.234 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -21.748 19.068 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -20.469 18.853 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -20.169 18.401 3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -21.537 20.846 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -19.959 20.183 5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -20.102 21.897 4.712 1.00 0.00 H new ATOM 430 N GLN A 33 -16.397 22.473 1.377 1.00 0.00 N ATOM 431 CA GLN A 33 -15.015 22.582 0.924 1.00 0.00 C ATOM 432 C GLN A 33 -14.212 23.479 1.859 1.00 0.00 C ATOM 433 O GLN A 33 -13.058 23.189 2.173 1.00 0.00 O ATOM 434 CB GLN A 33 -14.978 23.161 -0.493 1.00 0.00 C ATOM 435 CG GLN A 33 -15.526 22.130 -1.482 1.00 0.00 C ATOM 436 CD GLN A 33 -15.562 22.719 -2.887 1.00 0.00 C ATOM 437 OE1 GLN A 33 -16.307 23.666 -3.146 1.00 0.00 O ATOM 438 NE2 GLN A 33 -14.793 22.219 -3.816 1.00 0.00 N ATOM 0 H GLN A 33 -17.097 22.700 0.670 1.00 0.00 H new ATOM 0 HA GLN A 33 -14.572 21.586 0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -15.570 24.075 -0.539 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -13.956 23.430 -0.761 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -14.902 21.236 -1.470 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -16.528 21.824 -1.182 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -14.177 21.435 -3.601 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.808 22.612 -4.757 1.00 0.00 H new ATOM 447 N GLN A 34 -14.830 24.567 2.304 1.00 0.00 N ATOM 448 CA GLN A 34 -14.168 25.498 3.206 1.00 0.00 C ATOM 449 C GLN A 34 -13.896 24.841 4.558 1.00 0.00 C ATOM 450 O GLN A 34 -12.896 25.133 5.213 1.00 0.00 O ATOM 451 CB GLN A 34 -15.036 26.740 3.407 1.00 0.00 C ATOM 452 CG GLN A 34 -15.125 27.519 2.093 1.00 0.00 C ATOM 453 CD GLN A 34 -16.015 28.744 2.274 1.00 0.00 C ATOM 454 OE1 GLN A 34 -15.873 29.476 3.253 1.00 0.00 O ATOM 455 NE2 GLN A 34 -16.927 29.013 1.379 1.00 0.00 N ATOM 0 H GLN A 34 -15.785 24.824 2.055 1.00 0.00 H new ATOM 0 HA GLN A 34 -13.217 25.788 2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -16.033 26.450 3.738 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.611 27.371 4.188 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.129 27.826 1.774 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.528 26.879 1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -17.042 28.404 0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -17.525 29.832 1.490 1.00 0.00 H new ATOM 464 N THR A 35 -14.802 23.964 4.977 1.00 0.00 N ATOM 465 CA THR A 35 -14.652 23.281 6.257 1.00 0.00 C ATOM 466 C THR A 35 -13.397 22.417 6.268 1.00 0.00 C ATOM 467 O THR A 35 -12.618 22.448 7.222 1.00 0.00 O ATOM 468 CB THR A 35 -15.878 22.406 6.526 1.00 0.00 C ATOM 469 OG1 THR A 35 -17.058 23.169 6.323 1.00 0.00 O ATOM 470 CG2 THR A 35 -15.839 21.899 7.969 1.00 0.00 C ATOM 0 H THR A 35 -15.641 23.711 4.455 1.00 0.00 H new ATOM 0 HA THR A 35 -14.561 24.036 7.038 1.00 0.00 H new ATOM 0 HB THR A 35 -15.873 21.556 5.844 1.00 0.00 H new ATOM 0 HG1 THR A 35 -17.843 22.608 6.494 1.00 0.00 H new ATOM 0 HG21 THR A 35 -16.713 21.276 8.159 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.934 21.312 8.124 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.843 22.748 8.653 1.00 0.00 H new ATOM 478 N GLN A 36 -13.207 21.640 5.207 1.00 0.00 N ATOM 479 CA GLN A 36 -12.042 20.766 5.109 1.00 0.00 C ATOM 480 C GLN A 36 -10.818 21.553 4.650 1.00 0.00 C ATOM 481 O GLN A 36 -9.687 21.080 4.768 1.00 0.00 O ATOM 482 CB GLN A 36 -12.323 19.631 4.123 1.00 0.00 C ATOM 483 CG GLN A 36 -12.666 20.219 2.753 1.00 0.00 C ATOM 484 CD GLN A 36 -13.064 19.103 1.793 1.00 0.00 C ATOM 485 OE1 GLN A 36 -13.789 18.183 2.173 1.00 0.00 O ATOM 486 NE2 GLN A 36 -12.629 19.130 0.562 1.00 0.00 N ATOM 0 H GLN A 36 -13.839 21.597 4.408 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.840 20.348 6.095 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.452 18.980 4.044 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.148 19.017 4.484 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.482 20.936 2.849 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.809 20.763 2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.029 19.893 0.250 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.890 18.388 -0.087 1.00 0.00 H new ATOM 495 N ALA A 37 -11.050 22.750 4.125 1.00 0.00 N ATOM 496 CA ALA A 37 -9.959 23.587 3.649 1.00 0.00 C ATOM 497 C ALA A 37 -8.980 23.889 4.780 1.00 0.00 C ATOM 498 O ALA A 37 -7.765 23.827 4.594 1.00 0.00 O ATOM 499 CB ALA A 37 -10.513 24.901 3.091 1.00 0.00 C ATOM 0 H ALA A 37 -11.978 23.160 4.019 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.433 23.049 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.690 25.522 2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.189 24.688 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.055 25.430 3.875 1.00 0.00 H new ATOM 505 N GLN A 38 -9.517 24.209 5.950 1.00 0.00 N ATOM 506 CA GLN A 38 -8.681 24.516 7.106 1.00 0.00 C ATOM 507 C GLN A 38 -7.889 23.285 7.530 1.00 0.00 C ATOM 508 O GLN A 38 -6.720 23.385 7.904 1.00 0.00 O ATOM 509 CB GLN A 38 -9.552 24.991 8.270 1.00 0.00 C ATOM 510 CG GLN A 38 -10.319 26.251 7.857 1.00 0.00 C ATOM 511 CD GLN A 38 -9.345 27.390 7.580 1.00 0.00 C ATOM 512 OE1 GLN A 38 -8.534 27.737 8.440 1.00 0.00 O ATOM 513 NE2 GLN A 38 -9.368 27.991 6.421 1.00 0.00 N ATOM 0 H GLN A 38 -10.520 24.263 6.125 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.984 25.308 6.830 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.251 24.206 8.559 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.931 25.200 9.141 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.915 26.048 6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.013 26.539 8.647 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.040 27.702 5.710 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.714 28.749 6.227 1.00 0.00 H new ATOM 522 N VAL A 39 -8.532 22.125 7.478 1.00 0.00 N ATOM 523 CA VAL A 39 -7.878 20.879 7.860 1.00 0.00 C ATOM 524 C VAL A 39 -6.752 20.548 6.884 1.00 0.00 C ATOM 525 O VAL A 39 -5.667 20.131 7.290 1.00 0.00 O ATOM 526 CB VAL A 39 -8.895 19.737 7.881 1.00 0.00 C ATOM 527 CG1 VAL A 39 -8.197 18.438 8.289 1.00 0.00 C ATOM 528 CG2 VAL A 39 -10.003 20.059 8.884 1.00 0.00 C ATOM 0 H VAL A 39 -9.501 22.021 7.177 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.456 21.002 8.857 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.328 19.619 6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.922 17.624 8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.408 18.208 7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.762 18.555 9.282 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.728 19.245 8.899 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.571 20.179 9.878 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.501 20.983 8.591 1.00 0.00 H new ATOM 538 N ASP A 40 -7.022 20.729 5.596 1.00 0.00 N ATOM 539 CA ASP A 40 -6.030 20.439 4.568 1.00 0.00 C ATOM 540 C ASP A 40 -4.837 21.381 4.697 1.00 0.00 C ATOM 541 O ASP A 40 -3.757 21.095 4.193 1.00 0.00 O ATOM 542 CB ASP A 40 -6.653 20.595 3.179 1.00 0.00 C ATOM 543 CG ASP A 40 -7.638 19.459 2.919 1.00 0.00 C ATOM 544 OD1 ASP A 40 -7.602 18.490 3.660 1.00 0.00 O ATOM 545 OD2 ASP A 40 -8.412 19.576 1.984 1.00 0.00 O ATOM 0 H ASP A 40 -7.914 21.073 5.241 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.688 19.412 4.700 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.165 21.555 3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.872 20.592 2.419 1.00 0.00 H new ATOM 550 N GLU A 41 -5.046 22.502 5.378 1.00 0.00 N ATOM 551 CA GLU A 41 -3.980 23.481 5.567 1.00 0.00 C ATOM 552 C GLU A 41 -2.854 22.888 6.410 1.00 0.00 C ATOM 553 O GLU A 41 -1.687 23.244 6.242 1.00 0.00 O ATOM 554 CB GLU A 41 -4.532 24.731 6.254 1.00 0.00 C ATOM 555 CG GLU A 41 -3.491 25.850 6.195 1.00 0.00 C ATOM 556 CD GLU A 41 -3.371 26.372 4.767 1.00 0.00 C ATOM 557 OE1 GLU A 41 -4.162 25.956 3.937 1.00 0.00 O ATOM 558 OE2 GLU A 41 -2.489 27.178 4.526 1.00 0.00 O ATOM 0 H GLU A 41 -5.937 22.755 5.806 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.583 23.752 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.452 25.051 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.783 24.508 7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.777 26.661 6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.525 25.479 6.538 1.00 0.00 H new ATOM 565 N VAL A 42 -3.212 21.988 7.318 1.00 0.00 N ATOM 566 CA VAL A 42 -2.224 21.355 8.183 1.00 0.00 C ATOM 567 C VAL A 42 -1.231 20.544 7.358 1.00 0.00 C ATOM 568 O VAL A 42 -0.170 20.159 7.847 1.00 0.00 O ATOM 569 CB VAL A 42 -2.922 20.442 9.195 1.00 0.00 C ATOM 570 CG1 VAL A 42 -1.877 19.801 10.113 1.00 0.00 C ATOM 571 CG2 VAL A 42 -3.901 21.267 10.035 1.00 0.00 C ATOM 0 H VAL A 42 -4.172 21.682 7.474 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.681 22.136 8.716 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.466 19.661 8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.375 19.151 10.833 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.179 19.214 9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.332 20.581 10.644 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.398 20.618 10.756 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.357 22.048 10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.646 21.723 9.383 1.00 0.00 H new ATOM 581 N VAL A 43 -1.587 20.279 6.106 1.00 0.00 N ATOM 582 CA VAL A 43 -0.720 19.502 5.228 1.00 0.00 C ATOM 583 C VAL A 43 0.644 20.170 5.094 1.00 0.00 C ATOM 584 O VAL A 43 1.678 19.513 5.159 1.00 0.00 O ATOM 585 CB VAL A 43 -1.363 19.379 3.842 1.00 0.00 C ATOM 586 CG1 VAL A 43 -1.257 20.708 3.090 1.00 0.00 C ATOM 587 CG2 VAL A 43 -0.655 18.281 3.044 1.00 0.00 C ATOM 0 H VAL A 43 -2.461 20.587 5.679 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.587 18.511 5.662 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.416 19.123 3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.717 20.608 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.771 21.487 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.207 20.977 2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.113 18.194 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.399 18.534 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.747 17.331 3.571 1.00 0.00 H new ATOM 597 N ASP A 44 0.630 21.482 4.907 1.00 0.00 N ATOM 598 CA ASP A 44 1.870 22.241 4.758 1.00 0.00 C ATOM 599 C ASP A 44 2.798 21.973 5.936 1.00 0.00 C ATOM 600 O ASP A 44 4.003 21.812 5.764 1.00 0.00 O ATOM 601 CB ASP A 44 1.569 23.738 4.675 1.00 0.00 C ATOM 602 CG ASP A 44 2.826 24.500 4.264 1.00 0.00 C ATOM 603 OD1 ASP A 44 3.767 23.860 3.824 1.00 0.00 O ATOM 604 OD2 ASP A 44 2.828 25.713 4.395 1.00 0.00 O ATOM 0 H ASP A 44 -0.220 22.043 4.855 1.00 0.00 H new ATOM 0 HA ASP A 44 2.359 21.923 3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.772 23.918 3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.213 24.100 5.640 1.00 0.00 H new ATOM 609 N ILE A 45 2.224 21.918 7.132 1.00 0.00 N ATOM 610 CA ILE A 45 3.008 21.663 8.337 1.00 0.00 C ATOM 611 C ILE A 45 3.640 20.280 8.282 1.00 0.00 C ATOM 612 O ILE A 45 4.795 20.099 8.662 1.00 0.00 O ATOM 613 CB ILE A 45 2.114 21.775 9.574 1.00 0.00 C ATOM 614 CG1 ILE A 45 1.366 23.113 9.545 1.00 0.00 C ATOM 615 CG2 ILE A 45 2.979 21.707 10.838 1.00 0.00 C ATOM 616 CD1 ILE A 45 2.361 24.272 9.399 1.00 0.00 C ATOM 0 H ILE A 45 1.225 22.045 7.294 1.00 0.00 H new ATOM 0 HA ILE A 45 3.802 22.407 8.397 1.00 0.00 H new ATOM 0 HB ILE A 45 1.396 20.955 9.577 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.658 23.125 8.716 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.787 23.234 10.460 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.342 21.787 11.719 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.514 20.758 10.862 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.696 22.528 10.833 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.818 25.217 9.380 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.051 24.267 10.242 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.921 24.156 8.471 1.00 0.00 H new ATOM 628 N MET A 46 2.868 19.302 7.830 1.00 0.00 N ATOM 629 CA MET A 46 3.358 17.933 7.742 1.00 0.00 C ATOM 630 C MET A 46 4.466 17.825 6.697 1.00 0.00 C ATOM 631 O MET A 46 5.415 17.059 6.857 1.00 0.00 O ATOM 632 CB MET A 46 2.213 16.988 7.379 1.00 0.00 C ATOM 633 CG MET A 46 2.726 15.546 7.361 1.00 0.00 C ATOM 634 SD MET A 46 1.338 14.418 7.073 1.00 0.00 S ATOM 635 CE MET A 46 1.302 14.553 5.270 1.00 0.00 C ATOM 0 H MET A 46 1.905 19.429 7.520 1.00 0.00 H new ATOM 0 HA MET A 46 3.764 17.650 8.713 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.403 17.088 8.101 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.805 17.252 6.403 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.476 15.425 6.579 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.211 15.309 8.308 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.577 13.847 4.867 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.018 15.566 4.987 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.290 14.328 4.868 1.00 0.00 H new ATOM 645 N ARG A 47 4.326 18.581 5.612 1.00 0.00 N ATOM 646 CA ARG A 47 5.315 18.545 4.544 1.00 0.00 C ATOM 647 C ARG A 47 6.691 18.960 5.055 1.00 0.00 C ATOM 648 O ARG A 47 7.685 18.282 4.796 1.00 0.00 O ATOM 649 CB ARG A 47 4.891 19.486 3.411 1.00 0.00 C ATOM 650 CG ARG A 47 3.717 18.876 2.646 1.00 0.00 C ATOM 651 CD ARG A 47 3.294 19.821 1.519 1.00 0.00 C ATOM 652 NE ARG A 47 2.185 19.245 0.768 1.00 0.00 N ATOM 653 CZ ARG A 47 1.567 19.936 -0.185 1.00 0.00 C ATOM 654 NH1 ARG A 47 1.949 21.153 -0.459 1.00 0.00 N ATOM 655 NH2 ARG A 47 0.578 19.398 -0.845 1.00 0.00 N ATOM 0 H ARG A 47 3.546 19.219 5.451 1.00 0.00 H new ATOM 0 HA ARG A 47 5.375 17.522 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.607 20.456 3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.729 19.657 2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.001 17.907 2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.880 18.702 3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.000 20.785 1.934 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.137 20.005 0.853 1.00 0.00 H new ATOM 0 HE ARG A 47 1.878 18.295 0.977 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.721 21.574 0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.475 21.684 -1.190 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.279 18.447 -0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.104 19.929 -1.576 1.00 0.00 H new ATOM 669 N VAL A 48 6.747 20.073 5.786 1.00 0.00 N ATOM 670 CA VAL A 48 7.996 20.558 6.323 1.00 0.00 C ATOM 671 C VAL A 48 8.495 19.651 7.443 1.00 0.00 C ATOM 672 O VAL A 48 9.696 19.568 7.693 1.00 0.00 O ATOM 673 CB VAL A 48 7.809 21.979 6.850 1.00 0.00 C ATOM 674 CG1 VAL A 48 7.503 22.927 5.690 1.00 0.00 C ATOM 675 CG2 VAL A 48 6.655 22.008 7.850 1.00 0.00 C ATOM 0 H VAL A 48 5.936 20.648 6.014 1.00 0.00 H new ATOM 0 HA VAL A 48 8.740 20.558 5.526 1.00 0.00 H new ATOM 0 HB VAL A 48 8.726 22.300 7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.371 23.939 6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.330 22.913 4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.590 22.606 5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.524 23.023 8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.739 21.681 7.358 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.878 21.340 8.682 1.00 0.00 H new ATOM 685 N ASN A 49 7.566 18.981 8.112 1.00 0.00 N ATOM 686 CA ASN A 49 7.921 18.085 9.208 1.00 0.00 C ATOM 687 C ASN A 49 8.780 16.934 8.698 1.00 0.00 C ATOM 688 O ASN A 49 9.697 16.486 9.382 1.00 0.00 O ATOM 689 CB ASN A 49 6.659 17.536 9.868 1.00 0.00 C ATOM 690 CG ASN A 49 5.946 18.643 10.641 1.00 0.00 C ATOM 691 OD1 ASN A 49 4.822 18.453 11.103 1.00 0.00 O ATOM 692 ND2 ASN A 49 6.534 19.799 10.800 1.00 0.00 N ATOM 0 H ASN A 49 6.566 19.039 7.918 1.00 0.00 H new ATOM 0 HA ASN A 49 8.492 18.650 9.945 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.993 17.124 9.110 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.918 16.720 10.542 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.061 20.546 11.308 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.466 19.954 10.416 1.00 0.00 H new ATOM 699 N VAL A 50 8.473 16.464 7.497 1.00 0.00 N ATOM 700 CA VAL A 50 9.222 15.367 6.896 1.00 0.00 C ATOM 701 C VAL A 50 10.676 15.768 6.677 1.00 0.00 C ATOM 702 O VAL A 50 11.592 14.963 6.835 1.00 0.00 O ATOM 703 CB VAL A 50 8.584 14.950 5.572 1.00 0.00 C ATOM 704 CG1 VAL A 50 9.449 13.881 4.898 1.00 0.00 C ATOM 705 CG2 VAL A 50 7.189 14.379 5.836 1.00 0.00 C ATOM 0 H VAL A 50 7.713 16.823 6.920 1.00 0.00 H new ATOM 0 HA VAL A 50 9.196 14.518 7.580 1.00 0.00 H new ATOM 0 HB VAL A 50 8.507 15.820 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.992 13.585 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.444 14.284 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.528 13.012 5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.733 14.081 4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.269 13.511 6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.570 15.138 6.314 1.00 0.00 H new ATOM 715 N ASP A 51 10.873 17.007 6.270 1.00 0.00 N ATOM 716 CA ASP A 51 12.218 17.514 6.009 1.00 0.00 C ATOM 717 C ASP A 51 12.991 17.700 7.310 1.00 0.00 C ATOM 718 O ASP A 51 14.205 17.497 7.360 1.00 0.00 O ATOM 719 CB ASP A 51 12.146 18.847 5.259 1.00 0.00 C ATOM 720 CG ASP A 51 11.657 18.619 3.833 1.00 0.00 C ATOM 721 OD1 ASP A 51 11.596 17.473 3.426 1.00 0.00 O ATOM 722 OD2 ASP A 51 11.349 19.597 3.172 1.00 0.00 O ATOM 0 H ASP A 51 10.126 17.683 6.112 1.00 0.00 H new ATOM 0 HA ASP A 51 12.741 16.782 5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.473 19.529 5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.129 19.318 5.244 1.00 0.00 H new ATOM 727 N LYS A 52 12.283 18.106 8.361 1.00 0.00 N ATOM 728 CA LYS A 52 12.912 18.330 9.655 1.00 0.00 C ATOM 729 C LYS A 52 13.436 17.025 10.239 1.00 0.00 C ATOM 730 O LYS A 52 14.572 16.957 10.710 1.00 0.00 O ATOM 731 CB LYS A 52 11.906 18.959 10.620 1.00 0.00 C ATOM 732 CG LYS A 52 11.628 20.406 10.207 1.00 0.00 C ATOM 733 CD LYS A 52 10.577 21.010 11.140 1.00 0.00 C ATOM 734 CE LYS A 52 10.276 22.448 10.710 1.00 0.00 C ATOM 735 NZ LYS A 52 11.510 23.274 10.844 1.00 0.00 N ATOM 0 H LYS A 52 11.279 18.285 8.340 1.00 0.00 H new ATOM 0 HA LYS A 52 13.754 19.007 9.513 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.979 18.386 10.618 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.297 18.930 11.637 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.547 20.991 10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.277 20.440 9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.665 20.413 11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.937 20.995 12.169 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.924 22.465 9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.478 22.864 11.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.252 24.281 10.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.004 23.020 11.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.136 23.097 10.032 1.00 0.00 H new ATOM 749 N VAL A 53 12.602 15.992 10.200 1.00 0.00 N ATOM 750 CA VAL A 53 12.988 14.693 10.722 1.00 0.00 C ATOM 751 C VAL A 53 14.018 14.031 9.815 1.00 0.00 C ATOM 752 O VAL A 53 14.826 13.216 10.265 1.00 0.00 O ATOM 753 CB VAL A 53 11.761 13.791 10.861 1.00 0.00 C ATOM 754 CG1 VAL A 53 11.122 13.595 9.489 1.00 0.00 C ATOM 755 CG2 VAL A 53 12.185 12.431 11.423 1.00 0.00 C ATOM 0 H VAL A 53 11.659 16.031 9.813 1.00 0.00 H new ATOM 0 HA VAL A 53 13.434 14.841 11.705 1.00 0.00 H new ATOM 0 HB VAL A 53 11.043 14.255 11.538 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.247 12.952 9.584 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.820 14.562 9.087 1.00 0.00 H new ATOM 0 HG13 VAL A 53 11.842 13.130 8.815 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.310 11.789 11.522 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.902 11.965 10.747 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.646 12.569 12.401 1.00 0.00 H new ATOM 765 N LEU A 54 13.976 14.379 8.536 1.00 0.00 N ATOM 766 CA LEU A 54 14.901 13.810 7.577 1.00 0.00 C ATOM 767 C LEU A 54 16.338 14.169 7.933 1.00 0.00 C ATOM 768 O LEU A 54 17.234 13.327 7.864 1.00 0.00 O ATOM 769 CB LEU A 54 14.575 14.320 6.165 1.00 0.00 C ATOM 770 CG LEU A 54 15.553 13.710 5.148 1.00 0.00 C ATOM 771 CD1 LEU A 54 15.400 12.180 5.132 1.00 0.00 C ATOM 772 CD2 LEU A 54 15.255 14.272 3.759 1.00 0.00 C ATOM 0 H LEU A 54 13.314 15.049 8.144 1.00 0.00 H new ATOM 0 HA LEU A 54 14.796 12.725 7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.551 14.056 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.640 15.408 6.138 1.00 0.00 H new ATOM 0 HG LEU A 54 16.575 13.963 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.095 11.752 4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.617 11.782 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.379 11.919 4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 54 15.947 13.841 3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.233 14.021 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.372 15.356 3.772 1.00 0.00 H new ATOM 784 N GLU A 55 16.547 15.422 8.296 1.00 0.00 N ATOM 785 CA GLU A 55 17.882 15.891 8.654 1.00 0.00 C ATOM 786 C GLU A 55 17.823 17.312 9.199 1.00 0.00 C ATOM 787 O GLU A 55 17.123 18.169 8.658 1.00 0.00 O ATOM 788 CB GLU A 55 18.801 15.852 7.428 1.00 0.00 C ATOM 789 CG GLU A 55 20.230 16.201 7.848 1.00 0.00 C ATOM 790 CD GLU A 55 21.157 16.140 6.640 1.00 0.00 C ATOM 791 OE1 GLU A 55 20.651 16.117 5.530 1.00 0.00 O ATOM 792 OE2 GLU A 55 22.359 16.126 6.842 1.00 0.00 O ATOM 0 H GLU A 55 15.817 16.132 8.352 1.00 0.00 H new ATOM 0 HA GLU A 55 18.279 15.232 9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 55 18.776 14.862 6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 55 18.450 16.557 6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.256 17.199 8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 55 20.572 15.507 8.615 1.00 0.00 H new ATOM 799 N ARG A 56 18.562 17.559 10.273 1.00 0.00 N ATOM 800 CA ARG A 56 18.587 18.881 10.877 1.00 0.00 C ATOM 801 C ARG A 56 19.194 19.905 9.924 1.00 0.00 C ATOM 802 O ARG A 56 18.683 21.018 9.784 1.00 0.00 O ATOM 803 CB ARG A 56 19.401 18.844 12.173 1.00 0.00 C ATOM 804 CG ARG A 56 19.406 20.249 12.824 1.00 0.00 C ATOM 805 CD ARG A 56 20.760 20.922 12.589 1.00 0.00 C ATOM 806 NE ARG A 56 21.812 20.178 13.271 1.00 0.00 N ATOM 807 CZ ARG A 56 22.008 20.311 14.577 1.00 0.00 C ATOM 808 NH1 ARG A 56 21.248 21.112 15.270 1.00 0.00 N ATOM 809 NH2 ARG A 56 22.960 19.639 15.167 1.00 0.00 N ATOM 0 H ARG A 56 19.147 16.866 10.739 1.00 0.00 H new ATOM 0 HA ARG A 56 17.561 19.176 11.095 1.00 0.00 H new ATOM 0 HB2 ARG A 56 18.974 18.115 12.862 1.00 0.00 H new ATOM 0 HB3 ARG A 56 20.422 18.525 11.964 1.00 0.00 H new ATOM 0 HG2 ARG A 56 18.608 20.859 12.401 1.00 0.00 H new ATOM 0 HG3 ARG A 56 19.211 20.166 13.893 1.00 0.00 H new ATOM 0 HD2 ARG A 56 20.971 20.970 11.521 1.00 0.00 H new ATOM 0 HD3 ARG A 56 20.734 21.948 12.955 1.00 0.00 H new ATOM 0 HE ARG A 56 22.407 19.545 12.736 1.00 0.00 H new ATOM 0 HH11 ARG A 56 20.504 21.635 14.809 1.00 0.00 H new ATOM 0 HH12 ARG A 56 21.397 21.215 16.274 1.00 0.00 H new ATOM 0 HH21 ARG A 56 23.553 19.012 14.624 1.00 0.00 H new ATOM 0 HH22 ARG A 56 23.110 19.742 16.171 1.00 0.00 H new ATOM 823 N ASP A 57 20.287 19.525 9.274 1.00 0.00 N ATOM 824 CA ASP A 57 20.958 20.420 8.336 1.00 0.00 C ATOM 825 C ASP A 57 20.136 20.565 7.059 1.00 0.00 C ATOM 826 O ASP A 57 19.507 19.611 6.602 1.00 0.00 O ATOM 827 CB ASP A 57 22.346 19.873 7.996 1.00 0.00 C ATOM 828 CG ASP A 57 23.264 19.991 9.208 1.00 0.00 C ATOM 829 OD1 ASP A 57 22.926 20.738 10.111 1.00 0.00 O ATOM 830 OD2 ASP A 57 24.289 19.329 9.217 1.00 0.00 O ATOM 0 H ASP A 57 20.726 18.610 9.377 1.00 0.00 H new ATOM 0 HA ASP A 57 21.060 21.400 8.802 1.00 0.00 H new ATOM 0 HB2 ASP A 57 22.270 18.830 7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 57 22.767 20.424 7.155 1.00 0.00 H new ATOM 835 N GLN A 58 20.146 21.764 6.487 1.00 0.00 N ATOM 836 CA GLN A 58 19.401 22.025 5.263 1.00 0.00 C ATOM 837 C GLN A 58 19.967 21.211 4.106 1.00 0.00 C ATOM 838 O GLN A 58 19.314 21.044 3.074 1.00 0.00 O ATOM 839 CB GLN A 58 19.459 23.516 4.923 1.00 0.00 C ATOM 840 CG GLN A 58 18.717 24.317 5.996 1.00 0.00 C ATOM 841 CD GLN A 58 17.225 24.007 5.943 1.00 0.00 C ATOM 842 OE1 GLN A 58 16.611 24.090 4.880 1.00 0.00 O ATOM 843 NE2 GLN A 58 16.604 23.649 7.032 1.00 0.00 N ATOM 0 H GLN A 58 20.660 22.567 6.850 1.00 0.00 H new ATOM 0 HA GLN A 58 18.363 21.731 5.422 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.496 23.845 4.862 1.00 0.00 H new ATOM 0 HB3 GLN A 58 19.010 23.694 3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 58 19.112 24.072 6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.880 25.384 5.843 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.115 23.581 7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.607 23.437 7.004 1.00 0.00 H new ATOM 852 N LYS A 59 21.184 20.712 4.280 1.00 0.00 N ATOM 853 CA LYS A 59 21.831 19.919 3.243 1.00 0.00 C ATOM 854 C LYS A 59 22.021 20.745 1.973 1.00 0.00 C ATOM 855 O LYS A 59 21.833 20.250 0.862 1.00 0.00 O ATOM 856 CB LYS A 59 20.985 18.679 2.926 1.00 0.00 C ATOM 857 CG LYS A 59 21.858 17.616 2.251 1.00 0.00 C ATOM 858 CD LYS A 59 21.039 16.347 2.028 1.00 0.00 C ATOM 859 CE LYS A 59 21.917 15.287 1.360 1.00 0.00 C ATOM 860 NZ LYS A 59 21.120 14.048 1.141 1.00 0.00 N ATOM 0 H LYS A 59 21.741 20.841 5.125 1.00 0.00 H new ATOM 0 HA LYS A 59 22.809 19.608 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 59 20.552 18.279 3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 59 20.155 18.950 2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 59 22.234 17.990 1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 59 22.726 17.396 2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 59 20.659 15.974 2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.173 16.565 1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 59 22.297 15.661 0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 59 22.783 15.070 1.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 21.717 13.327 0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 20.778 13.689 2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 20.308 14.262 0.528 1.00 0.00 H new ATOM 874 N LEU A 60 22.394 22.004 2.147 1.00 0.00 N ATOM 875 CA LEU A 60 22.608 22.881 1.011 1.00 0.00 C ATOM 876 C LEU A 60 23.759 22.372 0.149 1.00 0.00 C ATOM 877 O LEU A 60 23.685 22.396 -1.081 1.00 0.00 O ATOM 878 CB LEU A 60 22.912 24.305 1.495 1.00 0.00 C ATOM 879 CG LEU A 60 23.213 25.214 0.295 1.00 0.00 C ATOM 880 CD1 LEU A 60 22.026 25.197 -0.680 1.00 0.00 C ATOM 881 CD2 LEU A 60 23.454 26.640 0.785 1.00 0.00 C ATOM 0 H LEU A 60 22.553 22.437 3.057 1.00 0.00 H new ATOM 0 HA LEU A 60 21.699 22.892 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 60 22.063 24.697 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 60 23.764 24.293 2.175 1.00 0.00 H new ATOM 0 HG LEU A 60 24.103 24.851 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 60 22.244 25.844 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 60 21.859 24.179 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.132 25.556 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 60 23.668 27.286 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.565 27.002 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 60 24.301 26.651 1.470 1.00 0.00 H new ATOM 893 N SER A 61 24.829 21.935 0.801 1.00 0.00 N ATOM 894 CA SER A 61 25.995 21.435 0.089 1.00 0.00 C ATOM 895 C SER A 61 27.147 21.193 1.053 1.00 0.00 C ATOM 896 O SER A 61 27.354 20.069 1.500 1.00 0.00 O ATOM 897 CB SER A 61 26.428 22.441 -0.986 1.00 0.00 C ATOM 898 OG SER A 61 27.839 22.375 -1.157 1.00 0.00 O ATOM 0 H SER A 61 24.912 21.917 1.817 1.00 0.00 H new ATOM 0 HA SER A 61 25.728 20.491 -0.386 1.00 0.00 H new ATOM 0 HB2 SER A 61 25.926 22.221 -1.928 1.00 0.00 H new ATOM 0 HB3 SER A 61 26.133 23.449 -0.696 1.00 0.00 H new ATOM 0 HG SER A 61 28.156 23.198 -1.584 1.00 0.00 H new ATOM 904 N GLU A 62 27.892 22.253 1.361 1.00 0.00 N ATOM 905 CA GLU A 62 29.027 22.147 2.273 1.00 0.00 C ATOM 906 C GLU A 62 30.156 21.345 1.633 1.00 0.00 C ATOM 907 O GLU A 62 31.329 21.689 1.771 1.00 0.00 O ATOM 908 CB GLU A 62 28.587 21.470 3.578 1.00 0.00 C ATOM 909 CG GLU A 62 29.597 21.779 4.682 1.00 0.00 C ATOM 910 CD GLU A 62 29.446 23.228 5.131 1.00 0.00 C ATOM 911 OE1 GLU A 62 28.526 23.879 4.664 1.00 0.00 O ATOM 912 OE2 GLU A 62 30.252 23.663 5.936 1.00 0.00 O ATOM 0 H GLU A 62 27.730 23.191 0.994 1.00 0.00 H new ATOM 0 HA GLU A 62 29.391 23.151 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 62 27.597 21.824 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 62 28.510 20.392 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 62 29.441 21.109 5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 62 30.610 21.605 4.319 1.00 0.00 H new ATOM 919 N LEU A 63 29.796 20.273 0.936 1.00 0.00 N ATOM 920 CA LEU A 63 30.784 19.436 0.289 1.00 0.00 C ATOM 921 C LEU A 63 31.542 20.224 -0.772 1.00 0.00 C ATOM 922 O LEU A 63 32.764 20.119 -0.883 1.00 0.00 O ATOM 923 CB LEU A 63 30.103 18.223 -0.361 1.00 0.00 C ATOM 924 CG LEU A 63 31.152 17.343 -1.060 1.00 0.00 C ATOM 925 CD1 LEU A 63 32.188 16.858 -0.034 1.00 0.00 C ATOM 926 CD2 LEU A 63 30.460 16.143 -1.702 1.00 0.00 C ATOM 0 H LEU A 63 28.831 19.969 0.808 1.00 0.00 H new ATOM 0 HA LEU A 63 31.490 19.093 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 63 29.576 17.643 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.358 18.557 -1.083 1.00 0.00 H new ATOM 0 HG LEU A 63 31.659 17.924 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 63 32.930 16.235 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 63 32.682 17.718 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 63 31.688 16.277 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 63 31.202 15.518 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 63 29.952 15.562 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 63 29.732 16.492 -2.434 1.00 0.00 H new ATOM 938 N ASP A 64 30.807 21.000 -1.560 1.00 0.00 N ATOM 939 CA ASP A 64 31.418 21.795 -2.620 1.00 0.00 C ATOM 940 C ASP A 64 31.978 23.092 -2.050 1.00 0.00 C ATOM 941 O ASP A 64 31.237 23.914 -1.513 1.00 0.00 O ATOM 942 CB ASP A 64 30.385 22.115 -3.698 1.00 0.00 C ATOM 943 CG ASP A 64 30.039 20.853 -4.481 1.00 0.00 C ATOM 944 OD1 ASP A 64 30.756 19.878 -4.339 1.00 0.00 O ATOM 945 OD2 ASP A 64 29.063 20.883 -5.212 1.00 0.00 O ATOM 0 H ASP A 64 29.794 21.096 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 64 32.231 21.218 -3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 64 29.486 22.527 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 64 30.776 22.876 -4.373 1.00 0.00 H new ATOM 950 N ASP A 65 33.289 23.266 -2.164 1.00 0.00 N ATOM 951 CA ASP A 65 33.946 24.468 -1.650 1.00 0.00 C ATOM 952 C ASP A 65 33.998 25.545 -2.728 1.00 0.00 C ATOM 953 O ASP A 65 33.022 25.768 -3.445 1.00 0.00 O ATOM 954 CB ASP A 65 35.364 24.131 -1.189 1.00 0.00 C ATOM 955 CG ASP A 65 35.321 23.073 -0.093 1.00 0.00 C ATOM 956 OD1 ASP A 65 34.296 22.969 0.561 1.00 0.00 O ATOM 957 OD2 ASP A 65 36.313 22.386 0.075 1.00 0.00 O ATOM 0 H ASP A 65 33.918 22.595 -2.605 1.00 0.00 H new ATOM 0 HA ASP A 65 33.372 24.844 -0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 65 35.952 23.769 -2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 65 35.858 25.030 -0.819 1.00 0.00 H new ATOM 962 N ARG A 66 35.143 26.214 -2.837 1.00 0.00 N ATOM 963 CA ARG A 66 35.309 27.268 -3.828 1.00 0.00 C ATOM 964 C ARG A 66 35.134 26.709 -5.236 1.00 0.00 C ATOM 965 O ARG A 66 34.476 27.318 -6.079 1.00 0.00 O ATOM 966 CB ARG A 66 36.699 27.893 -3.694 1.00 0.00 C ATOM 967 CG ARG A 66 36.830 29.068 -4.665 1.00 0.00 C ATOM 968 CD ARG A 66 38.214 29.699 -4.521 1.00 0.00 C ATOM 969 NE ARG A 66 39.247 28.749 -4.917 1.00 0.00 N ATOM 970 CZ ARG A 66 40.536 29.040 -4.790 1.00 0.00 C ATOM 971 NH1 ARG A 66 40.898 30.197 -4.305 1.00 0.00 N ATOM 972 NH2 ARG A 66 41.441 28.171 -5.150 1.00 0.00 N ATOM 0 H ARG A 66 35.963 26.045 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 66 34.549 28.030 -3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 66 36.858 28.234 -2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 66 37.466 27.147 -3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 66 36.680 28.725 -5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 66 36.058 29.810 -4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 66 38.279 30.595 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 66 38.373 30.011 -3.489 1.00 0.00 H new ATOM 0 HE ARG A 66 38.974 27.843 -5.299 1.00 0.00 H new ATOM 0 HH11 ARG A 66 40.191 30.876 -4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 66 41.888 30.422 -4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 66 41.158 27.267 -5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 66 42.431 28.396 -5.052 1.00 0.00 H new ATOM 986 N ALA A 67 35.730 25.547 -5.485 1.00 0.00 N ATOM 987 CA ALA A 67 35.635 24.918 -6.797 1.00 0.00 C ATOM 988 C ALA A 67 36.242 25.817 -7.870 1.00 0.00 C ATOM 989 O ALA A 67 35.830 26.964 -8.034 1.00 0.00 O ATOM 990 CB ALA A 67 34.168 24.633 -7.134 1.00 0.00 C ATOM 0 H ALA A 67 36.279 25.026 -4.802 1.00 0.00 H new ATOM 0 HA ALA A 67 36.191 23.981 -6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 67 34.105 24.163 -8.116 1.00 0.00 H new ATOM 0 HB2 ALA A 67 33.746 23.965 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 67 33.608 25.568 -7.143 1.00 0.00 H new ATOM 996 N ASP A 68 37.220 25.289 -8.599 1.00 0.00 N ATOM 997 CA ASP A 68 37.875 26.048 -9.653 1.00 0.00 C ATOM 998 C ASP A 68 37.123 25.895 -10.970 1.00 0.00 C ATOM 999 O ASP A 68 37.579 26.361 -12.015 1.00 0.00 O ATOM 1000 CB ASP A 68 39.316 25.568 -9.826 1.00 0.00 C ATOM 1001 CG ASP A 68 39.339 24.068 -10.091 1.00 0.00 C ATOM 1002 OD1 ASP A 68 38.287 23.521 -10.374 1.00 0.00 O ATOM 1003 OD2 ASP A 68 40.410 23.489 -10.009 1.00 0.00 O ATOM 0 H ASP A 68 37.574 24.340 -8.478 1.00 0.00 H new ATOM 0 HA ASP A 68 37.876 27.100 -9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 68 39.788 26.099 -10.653 1.00 0.00 H new ATOM 0 HB3 ASP A 68 39.894 25.796 -8.930 1.00 0.00 H new ATOM 1008 N ALA A 69 35.967 25.241 -10.914 1.00 0.00 N ATOM 1009 CA ALA A 69 35.159 25.032 -12.108 1.00 0.00 C ATOM 1010 C ALA A 69 35.982 24.360 -13.203 1.00 0.00 C ATOM 1011 O ALA A 69 36.329 23.183 -13.097 1.00 0.00 O ATOM 1012 CB ALA A 69 34.625 26.374 -12.617 1.00 0.00 C ATOM 0 H ALA A 69 35.571 24.849 -10.059 1.00 0.00 H new ATOM 0 HA ALA A 69 34.323 24.382 -11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 69 34.022 26.210 -13.510 1.00 0.00 H new ATOM 0 HB2 ALA A 69 34.012 26.838 -11.845 1.00 0.00 H new ATOM 0 HB3 ALA A 69 35.461 27.030 -12.859 1.00 0.00 H new ATOM 1018 N LEU A 70 36.291 25.111 -14.251 1.00 0.00 N ATOM 1019 CA LEU A 70 37.067 24.580 -15.354 1.00 0.00 C ATOM 1020 C LEU A 70 36.443 23.291 -15.883 1.00 0.00 C ATOM 1021 O LEU A 70 36.711 22.207 -15.368 1.00 0.00 O ATOM 1022 CB LEU A 70 38.504 24.301 -14.896 1.00 0.00 C ATOM 1023 CG LEU A 70 39.364 23.894 -16.102 1.00 0.00 C ATOM 1024 CD1 LEU A 70 39.466 25.067 -17.096 1.00 0.00 C ATOM 1025 CD2 LEU A 70 40.763 23.506 -15.619 1.00 0.00 C ATOM 0 H LEU A 70 36.015 26.087 -14.357 1.00 0.00 H new ATOM 0 HA LEU A 70 37.075 25.320 -16.154 1.00 0.00 H new ATOM 0 HB2 LEU A 70 38.923 25.188 -14.422 1.00 0.00 H new ATOM 0 HB3 LEU A 70 38.510 23.507 -14.149 1.00 0.00 H new ATOM 0 HG LEU A 70 38.901 23.044 -16.603 1.00 0.00 H new ATOM 0 HD11 LEU A 70 40.077 24.770 -17.948 1.00 0.00 H new ATOM 0 HD12 LEU A 70 38.469 25.338 -17.442 1.00 0.00 H new ATOM 0 HD13 LEU A 70 39.924 25.924 -16.602 1.00 0.00 H new ATOM 0 HD21 LEU A 70 41.376 23.217 -16.473 1.00 0.00 H new ATOM 0 HD22 LEU A 70 41.222 24.356 -15.114 1.00 0.00 H new ATOM 0 HD23 LEU A 70 40.689 22.669 -14.925 1.00 0.00 H new ATOM 1037 N GLN A 71 35.618 23.416 -16.916 1.00 0.00 N ATOM 1038 CA GLN A 71 34.966 22.258 -17.504 1.00 0.00 C ATOM 1039 C GLN A 71 35.997 21.297 -18.085 1.00 0.00 C ATOM 1040 O GLN A 71 35.821 20.080 -18.042 1.00 0.00 O ATOM 1041 CB GLN A 71 34.001 22.703 -18.605 1.00 0.00 C ATOM 1042 CG GLN A 71 32.859 23.513 -17.988 1.00 0.00 C ATOM 1043 CD GLN A 71 31.937 24.037 -19.083 1.00 0.00 C ATOM 1044 OE1 GLN A 71 30.870 24.576 -18.793 1.00 0.00 O ATOM 1045 NE2 GLN A 71 32.289 23.910 -20.333 1.00 0.00 N ATOM 0 H GLN A 71 35.387 24.305 -17.360 1.00 0.00 H new ATOM 0 HA GLN A 71 34.410 21.743 -16.721 1.00 0.00 H new ATOM 0 HB2 GLN A 71 34.529 23.305 -19.345 1.00 0.00 H new ATOM 0 HB3 GLN A 71 33.603 21.833 -19.127 1.00 0.00 H new ATOM 0 HG2 GLN A 71 32.295 22.890 -17.294 1.00 0.00 H new ATOM 0 HG3 GLN A 71 33.263 24.346 -17.413 1.00 0.00 H new ATOM 0 HE21 GLN A 71 33.174 23.463 -20.571 1.00 0.00 H new ATOM 0 HE22 GLN A 71 31.679 24.258 -21.073 1.00 0.00 H new ATOM 1054 N ALA A 72 37.074 21.854 -18.630 1.00 0.00 N ATOM 1055 CA ALA A 72 38.129 21.036 -19.220 1.00 0.00 C ATOM 1056 C ALA A 72 38.780 20.158 -18.158 1.00 0.00 C ATOM 1057 O ALA A 72 38.974 20.584 -17.018 1.00 0.00 O ATOM 1058 CB ALA A 72 39.188 21.935 -19.861 1.00 0.00 C ATOM 0 H ALA A 72 37.239 22.860 -18.676 1.00 0.00 H new ATOM 0 HA ALA A 72 37.685 20.396 -19.983 1.00 0.00 H new ATOM 0 HB1 ALA A 72 39.972 21.318 -20.299 1.00 0.00 H new ATOM 0 HB2 ALA A 72 38.727 22.543 -20.640 1.00 0.00 H new ATOM 0 HB3 ALA A 72 39.621 22.586 -19.101 1.00 0.00 H new ATOM 1064 N GLY A 73 39.115 18.929 -18.536 1.00 0.00 N ATOM 1065 CA GLY A 73 39.744 17.998 -17.606 1.00 0.00 C ATOM 1066 C GLY A 73 39.693 16.573 -18.144 1.00 0.00 C ATOM 1067 O GLY A 73 40.581 16.146 -18.882 1.00 0.00 O ATOM 0 H GLY A 73 38.963 18.556 -19.473 1.00 0.00 H new ATOM 0 HA2 GLY A 73 40.780 18.290 -17.438 1.00 0.00 H new ATOM 0 HA3 GLY A 73 39.239 18.045 -16.641 1.00 0.00 H new ATOM 1071 N ALA A 74 38.651 15.840 -17.766 1.00 0.00 N ATOM 1072 CA ALA A 74 38.496 14.460 -18.217 1.00 0.00 C ATOM 1073 C ALA A 74 37.042 14.015 -18.093 1.00 0.00 C ATOM 1074 O ALA A 74 36.294 14.530 -17.263 1.00 0.00 O ATOM 1075 CB ALA A 74 39.388 13.538 -17.386 1.00 0.00 C ATOM 0 H ALA A 74 37.907 16.174 -17.154 1.00 0.00 H new ATOM 0 HA ALA A 74 38.791 14.404 -19.265 1.00 0.00 H new ATOM 0 HB1 ALA A 74 39.267 12.510 -17.728 1.00 0.00 H new ATOM 0 HB2 ALA A 74 40.429 13.839 -17.501 1.00 0.00 H new ATOM 0 HB3 ALA A 74 39.104 13.607 -16.336 1.00 0.00 H new ATOM 1081 N SER A 75 36.648 13.055 -18.922 1.00 0.00 N ATOM 1082 CA SER A 75 35.281 12.552 -18.898 1.00 0.00 C ATOM 1083 C SER A 75 34.951 11.959 -17.530 1.00 0.00 C ATOM 1084 O SER A 75 33.881 12.211 -16.976 1.00 0.00 O ATOM 1085 CB SER A 75 35.101 11.481 -19.977 1.00 0.00 C ATOM 1086 OG SER A 75 33.715 11.312 -20.244 1.00 0.00 O ATOM 0 H SER A 75 37.252 12.612 -19.615 1.00 0.00 H new ATOM 0 HA SER A 75 34.604 13.384 -19.093 1.00 0.00 H new ATOM 0 HB2 SER A 75 35.625 11.773 -20.887 1.00 0.00 H new ATOM 0 HB3 SER A 75 35.537 10.538 -19.646 1.00 0.00 H new ATOM 0 HG SER A 75 33.596 10.628 -20.936 1.00 0.00 H new ATOM 1092 N GLN A 76 35.877 11.173 -16.993 1.00 0.00 N ATOM 1093 CA GLN A 76 35.680 10.548 -15.691 1.00 0.00 C ATOM 1094 C GLN A 76 34.431 9.669 -15.706 1.00 0.00 C ATOM 1095 O GLN A 76 34.065 9.074 -14.695 1.00 0.00 O ATOM 1096 CB GLN A 76 35.538 11.630 -14.612 1.00 0.00 C ATOM 1097 CG GLN A 76 35.805 11.019 -13.232 1.00 0.00 C ATOM 1098 CD GLN A 76 35.742 12.098 -12.163 1.00 0.00 C ATOM 1099 OE1 GLN A 76 35.893 13.281 -12.463 1.00 0.00 O ATOM 1100 NE2 GLN A 76 35.522 11.759 -10.922 1.00 0.00 N ATOM 0 H GLN A 76 36.769 10.954 -17.437 1.00 0.00 H new ATOM 0 HA GLN A 76 36.546 9.924 -15.468 1.00 0.00 H new ATOM 0 HB2 GLN A 76 36.239 12.442 -14.803 1.00 0.00 H new ATOM 0 HB3 GLN A 76 34.537 12.059 -14.643 1.00 0.00 H new ATOM 0 HG2 GLN A 76 35.069 10.243 -13.021 1.00 0.00 H new ATOM 0 HG3 GLN A 76 36.785 10.541 -13.220 1.00 0.00 H new ATOM 0 HE21 GLN A 76 35.397 10.777 -10.676 1.00 0.00 H new ATOM 0 HE22 GLN A 76 35.475 12.476 -10.198 1.00 0.00 H new ATOM 1109 N PHE A 77 33.773 9.600 -16.856 1.00 0.00 N ATOM 1110 CA PHE A 77 32.563 8.797 -16.986 1.00 0.00 C ATOM 1111 C PHE A 77 31.502 9.252 -15.988 1.00 0.00 C ATOM 1112 O PHE A 77 30.405 8.701 -15.940 1.00 0.00 O ATOM 1113 CB PHE A 77 32.890 7.325 -16.749 1.00 0.00 C ATOM 1114 CG PHE A 77 33.981 6.891 -17.699 1.00 0.00 C ATOM 1115 CD1 PHE A 77 33.653 6.437 -18.982 1.00 0.00 C ATOM 1116 CD2 PHE A 77 35.322 6.942 -17.297 1.00 0.00 C ATOM 1117 CE1 PHE A 77 34.664 6.037 -19.863 1.00 0.00 C ATOM 1118 CE2 PHE A 77 36.333 6.541 -18.177 1.00 0.00 C ATOM 1119 CZ PHE A 77 36.005 6.088 -19.461 1.00 0.00 C ATOM 0 H PHE A 77 34.054 10.087 -17.707 1.00 0.00 H new ATOM 0 HA PHE A 77 32.171 8.927 -17.995 1.00 0.00 H new ATOM 0 HB2 PHE A 77 33.210 7.174 -15.718 1.00 0.00 H new ATOM 0 HB3 PHE A 77 31.999 6.715 -16.899 1.00 0.00 H new ATOM 0 HD1 PHE A 77 32.619 6.395 -19.292 1.00 0.00 H new ATOM 0 HD2 PHE A 77 35.576 7.291 -16.307 1.00 0.00 H new ATOM 0 HE1 PHE A 77 34.410 5.689 -20.853 1.00 0.00 H new ATOM 0 HE2 PHE A 77 37.367 6.581 -17.866 1.00 0.00 H new ATOM 0 HZ PHE A 77 36.785 5.778 -20.141 1.00 0.00 H new ATOM 1129 N GLU A 78 31.839 10.257 -15.193 1.00 0.00 N ATOM 1130 CA GLU A 78 30.911 10.779 -14.198 1.00 0.00 C ATOM 1131 C GLU A 78 29.732 11.467 -14.877 1.00 0.00 C ATOM 1132 O GLU A 78 28.618 11.474 -14.354 1.00 0.00 O ATOM 1133 CB GLU A 78 31.628 11.771 -13.277 1.00 0.00 C ATOM 1134 CG GLU A 78 30.697 12.176 -12.129 1.00 0.00 C ATOM 1135 CD GLU A 78 30.456 10.983 -11.210 1.00 0.00 C ATOM 1136 OE1 GLU A 78 31.271 10.074 -11.225 1.00 0.00 O ATOM 1137 OE2 GLU A 78 29.459 10.993 -10.508 1.00 0.00 O ATOM 0 H GLU A 78 32.744 10.726 -15.216 1.00 0.00 H new ATOM 0 HA GLU A 78 30.537 9.945 -13.604 1.00 0.00 H new ATOM 0 HB2 GLU A 78 32.537 11.321 -12.879 1.00 0.00 H new ATOM 0 HB3 GLU A 78 31.930 12.653 -13.842 1.00 0.00 H new ATOM 0 HG2 GLU A 78 31.138 12.998 -11.564 1.00 0.00 H new ATOM 0 HG3 GLU A 78 29.749 12.536 -12.528 1.00 0.00 H new ATOM 1144 N THR A 79 29.987 12.060 -16.036 1.00 0.00 N ATOM 1145 CA THR A 79 28.940 12.762 -16.771 1.00 0.00 C ATOM 1146 C THR A 79 27.844 11.790 -17.195 1.00 0.00 C ATOM 1147 O THR A 79 26.670 12.152 -17.255 1.00 0.00 O ATOM 1148 CB THR A 79 29.534 13.436 -18.014 1.00 0.00 C ATOM 1149 OG1 THR A 79 28.521 13.585 -18.998 1.00 0.00 O ATOM 1150 CG2 THR A 79 30.666 12.572 -18.575 1.00 0.00 C ATOM 0 H THR A 79 30.902 12.070 -16.486 1.00 0.00 H new ATOM 0 HA THR A 79 28.509 13.520 -16.118 1.00 0.00 H new ATOM 0 HB THR A 79 29.927 14.416 -17.743 1.00 0.00 H new ATOM 0 HG1 THR A 79 28.898 14.017 -19.793 1.00 0.00 H new ATOM 0 HG21 THR A 79 31.087 13.052 -19.458 1.00 0.00 H new ATOM 0 HG22 THR A 79 31.443 12.456 -17.820 1.00 0.00 H new ATOM 0 HG23 THR A 79 30.275 11.592 -18.847 1.00 0.00 H new ATOM 1158 N SER A 80 28.236 10.554 -17.493 1.00 0.00 N ATOM 1159 CA SER A 80 27.275 9.542 -17.915 1.00 0.00 C ATOM 1160 C SER A 80 26.208 9.332 -16.843 1.00 0.00 C ATOM 1161 O SER A 80 25.035 9.131 -17.154 1.00 0.00 O ATOM 1162 CB SER A 80 27.993 8.218 -18.179 1.00 0.00 C ATOM 1163 OG SER A 80 28.517 7.716 -16.956 1.00 0.00 O ATOM 0 H SER A 80 29.203 10.232 -17.450 1.00 0.00 H new ATOM 0 HA SER A 80 26.794 9.888 -18.830 1.00 0.00 H new ATOM 0 HB2 SER A 80 27.302 7.497 -18.615 1.00 0.00 H new ATOM 0 HB3 SER A 80 28.797 8.365 -18.900 1.00 0.00 H new ATOM 0 HG SER A 80 29.374 8.151 -16.765 1.00 0.00 H new ATOM 1169 N ALA A 81 26.625 9.388 -15.583 1.00 0.00 N ATOM 1170 CA ALA A 81 25.695 9.206 -14.473 1.00 0.00 C ATOM 1171 C ALA A 81 24.632 10.302 -14.477 1.00 0.00 C ATOM 1172 O ALA A 81 23.517 10.097 -13.999 1.00 0.00 O ATOM 1173 CB ALA A 81 26.454 9.233 -13.145 1.00 0.00 C ATOM 0 H ALA A 81 27.592 9.556 -15.305 1.00 0.00 H new ATOM 0 HA ALA A 81 25.204 8.240 -14.591 1.00 0.00 H new ATOM 0 HB1 ALA A 81 25.752 9.097 -12.322 1.00 0.00 H new ATOM 0 HB2 ALA A 81 27.191 8.430 -13.131 1.00 0.00 H new ATOM 0 HB3 ALA A 81 26.960 10.192 -13.035 1.00 0.00 H new ATOM 1179 N ALA A 82 24.987 11.463 -15.016 1.00 0.00 N ATOM 1180 CA ALA A 82 24.056 12.584 -15.071 1.00 0.00 C ATOM 1181 C ALA A 82 22.825 12.217 -15.894 1.00 0.00 C ATOM 1182 O ALA A 82 21.705 12.594 -15.554 1.00 0.00 O ATOM 1183 CB ALA A 82 24.743 13.803 -15.690 1.00 0.00 C ATOM 0 H ALA A 82 25.905 11.652 -15.418 1.00 0.00 H new ATOM 0 HA ALA A 82 23.741 12.822 -14.055 1.00 0.00 H new ATOM 0 HB1 ALA A 82 24.041 14.636 -15.728 1.00 0.00 H new ATOM 0 HB2 ALA A 82 25.605 14.082 -15.084 1.00 0.00 H new ATOM 0 HB3 ALA A 82 25.073 13.561 -16.700 1.00 0.00 H new ATOM 1189 N LYS A 83 23.042 11.475 -16.975 1.00 0.00 N ATOM 1190 CA LYS A 83 21.944 11.065 -17.837 1.00 0.00 C ATOM 1191 C LYS A 83 20.967 10.175 -17.074 1.00 0.00 C ATOM 1192 O LYS A 83 19.756 10.318 -17.200 1.00 0.00 O ATOM 1193 CB LYS A 83 22.488 10.305 -19.046 1.00 0.00 C ATOM 1194 CG LYS A 83 23.263 11.268 -19.947 1.00 0.00 C ATOM 1195 CD LYS A 83 23.880 10.490 -21.113 1.00 0.00 C ATOM 1196 CE LYS A 83 22.767 9.904 -21.996 1.00 0.00 C ATOM 1197 NZ LYS A 83 22.378 8.565 -21.472 1.00 0.00 N ATOM 0 H LYS A 83 23.962 11.148 -17.272 1.00 0.00 H new ATOM 0 HA LYS A 83 21.418 11.958 -18.174 1.00 0.00 H new ATOM 0 HB2 LYS A 83 23.139 9.495 -18.717 1.00 0.00 H new ATOM 0 HB3 LYS A 83 21.668 9.850 -19.602 1.00 0.00 H new ATOM 0 HG2 LYS A 83 22.598 12.044 -20.325 1.00 0.00 H new ATOM 0 HG3 LYS A 83 24.045 11.769 -19.375 1.00 0.00 H new ATOM 0 HD2 LYS A 83 24.517 11.148 -21.704 1.00 0.00 H new ATOM 0 HD3 LYS A 83 24.514 9.689 -20.733 1.00 0.00 H new ATOM 0 HE2 LYS A 83 21.904 10.570 -22.003 1.00 0.00 H new ATOM 0 HE3 LYS A 83 23.112 9.818 -23.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 22.541 7.845 -22.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 22.950 8.341 -20.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 21.371 8.573 -21.213 1.00 0.00 H new ATOM 1211 N LEU A 84 21.504 9.260 -16.283 1.00 0.00 N ATOM 1212 CA LEU A 84 20.674 8.351 -15.498 1.00 0.00 C ATOM 1213 C LEU A 84 19.892 9.126 -14.441 1.00 0.00 C ATOM 1214 O LEU A 84 18.746 8.798 -14.139 1.00 0.00 O ATOM 1215 CB LEU A 84 21.550 7.288 -14.822 1.00 0.00 C ATOM 1216 CG LEU A 84 21.910 6.201 -15.838 1.00 0.00 C ATOM 1217 CD1 LEU A 84 22.625 6.835 -17.035 1.00 0.00 C ATOM 1218 CD2 LEU A 84 22.834 5.177 -15.177 1.00 0.00 C ATOM 0 H LEU A 84 22.508 9.125 -16.165 1.00 0.00 H new ATOM 0 HA LEU A 84 19.969 7.859 -16.168 1.00 0.00 H new ATOM 0 HB2 LEU A 84 22.457 7.746 -14.427 1.00 0.00 H new ATOM 0 HB3 LEU A 84 21.020 6.849 -13.976 1.00 0.00 H new ATOM 0 HG LEU A 84 21.001 5.707 -16.180 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.881 6.060 -17.758 1.00 0.00 H new ATOM 0 HD12 LEU A 84 21.968 7.567 -17.505 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.535 7.329 -16.695 1.00 0.00 H new ATOM 0 HD21 LEU A 84 23.092 4.401 -15.898 1.00 0.00 H new ATOM 0 HD22 LEU A 84 23.743 5.673 -14.837 1.00 0.00 H new ATOM 0 HD23 LEU A 84 22.326 4.726 -14.325 1.00 0.00 H new ATOM 1230 N LYS A 85 20.533 10.137 -13.864 1.00 0.00 N ATOM 1231 CA LYS A 85 19.898 10.937 -12.825 1.00 0.00 C ATOM 1232 C LYS A 85 18.637 11.599 -13.358 1.00 0.00 C ATOM 1233 O LYS A 85 17.672 11.806 -12.621 1.00 0.00 O ATOM 1234 CB LYS A 85 20.868 12.008 -12.323 1.00 0.00 C ATOM 1235 CG LYS A 85 20.262 12.716 -11.108 1.00 0.00 C ATOM 1236 CD LYS A 85 21.254 13.747 -10.570 1.00 0.00 C ATOM 1237 CE LYS A 85 20.635 14.478 -9.375 1.00 0.00 C ATOM 1238 NZ LYS A 85 20.383 13.507 -8.275 1.00 0.00 N ATOM 0 H LYS A 85 21.485 10.420 -14.097 1.00 0.00 H new ATOM 0 HA LYS A 85 19.628 10.279 -11.999 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.821 11.553 -12.054 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.071 12.730 -13.114 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.329 13.205 -11.387 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.021 11.989 -10.333 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.179 13.255 -10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.513 14.461 -11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.304 15.267 -9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.702 14.958 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.291 14.019 -7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.505 12.984 -8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.177 12.838 -8.213 1.00 0.00 H new ATOM 1252 N ARG A 86 18.648 11.933 -14.645 1.00 0.00 N ATOM 1253 CA ARG A 86 17.496 12.585 -15.260 1.00 0.00 C ATOM 1254 C ARG A 86 16.200 11.912 -14.831 1.00 0.00 C ATOM 1255 O ARG A 86 15.337 12.538 -14.216 1.00 0.00 O ATOM 1256 CB ARG A 86 17.617 12.514 -16.784 1.00 0.00 C ATOM 1257 CG ARG A 86 18.816 13.347 -17.244 1.00 0.00 C ATOM 1258 CD ARG A 86 18.903 13.319 -18.772 1.00 0.00 C ATOM 1259 NE ARG A 86 19.253 11.981 -19.235 1.00 0.00 N ATOM 1260 CZ ARG A 86 19.327 11.700 -20.531 1.00 0.00 C ATOM 1261 NH1 ARG A 86 19.086 12.629 -21.416 1.00 0.00 N ATOM 1262 NH2 ARG A 86 19.644 10.496 -20.921 1.00 0.00 N ATOM 0 H ARG A 86 19.432 11.766 -15.276 1.00 0.00 H new ATOM 0 HA ARG A 86 17.477 13.625 -14.935 1.00 0.00 H new ATOM 0 HB2 ARG A 86 17.738 11.478 -17.101 1.00 0.00 H new ATOM 0 HB3 ARG A 86 16.704 12.885 -17.249 1.00 0.00 H new ATOM 0 HG2 ARG A 86 18.714 14.374 -16.894 1.00 0.00 H new ATOM 0 HG3 ARG A 86 19.734 12.952 -16.810 1.00 0.00 H new ATOM 0 HD2 ARG A 86 17.949 13.622 -19.203 1.00 0.00 H new ATOM 0 HD3 ARG A 86 19.649 14.036 -19.114 1.00 0.00 H new ATOM 0 HE ARG A 86 19.444 11.248 -18.552 1.00 0.00 H new ATOM 0 HH11 ARG A 86 18.841 13.571 -21.112 1.00 0.00 H new ATOM 0 HH12 ARG A 86 19.143 12.412 -22.411 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.835 9.770 -20.230 1.00 0.00 H new ATOM 0 HH22 ARG A 86 19.701 10.281 -21.916 1.00 0.00 H new ATOM 1276 N LYS A 87 16.074 10.633 -15.142 1.00 0.00 N ATOM 1277 CA LYS A 87 14.880 9.872 -14.774 1.00 0.00 C ATOM 1278 C LYS A 87 15.009 9.315 -13.367 1.00 0.00 C ATOM 1279 O LYS A 87 14.064 9.382 -12.587 1.00 0.00 O ATOM 1280 CB LYS A 87 14.658 8.729 -15.761 1.00 0.00 C ATOM 1281 CG LYS A 87 14.373 9.304 -17.150 1.00 0.00 C ATOM 1282 CD LYS A 87 14.175 8.161 -18.145 1.00 0.00 C ATOM 1283 CE LYS A 87 13.988 8.732 -19.552 1.00 0.00 C ATOM 1284 NZ LYS A 87 12.670 9.421 -19.638 1.00 0.00 N ATOM 0 H LYS A 87 16.779 10.096 -15.647 1.00 0.00 H new ATOM 0 HA LYS A 87 14.024 10.546 -14.806 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.538 8.087 -15.795 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.824 8.109 -15.434 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.483 9.932 -17.119 1.00 0.00 H new ATOM 0 HG3 LYS A 87 15.200 9.939 -17.469 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.037 7.494 -18.124 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.305 7.567 -17.864 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.792 9.432 -19.782 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.041 7.932 -20.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.452 9.630 -20.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.930 8.806 -19.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.707 10.309 -19.098 1.00 0.00 H new ATOM 1298 N TYR A 88 16.182 8.760 -13.055 1.00 0.00 N ATOM 1299 CA TYR A 88 16.428 8.184 -11.737 1.00 0.00 C ATOM 1300 C TYR A 88 15.472 7.022 -11.475 1.00 0.00 C ATOM 1301 O TYR A 88 15.890 5.868 -11.380 1.00 0.00 O ATOM 1302 CB TYR A 88 16.249 9.251 -10.656 1.00 0.00 C ATOM 1303 CG TYR A 88 16.673 8.689 -9.320 1.00 0.00 C ATOM 1304 CD1 TYR A 88 18.031 8.536 -9.027 1.00 0.00 C ATOM 1305 CD2 TYR A 88 15.705 8.324 -8.376 1.00 0.00 C ATOM 1306 CE1 TYR A 88 18.426 8.019 -7.788 1.00 0.00 C ATOM 1307 CE2 TYR A 88 16.099 7.807 -7.137 1.00 0.00 C ATOM 1308 CZ TYR A 88 17.459 7.653 -6.843 1.00 0.00 C ATOM 1309 OH TYR A 88 17.848 7.144 -5.622 1.00 0.00 O ATOM 0 H TYR A 88 16.972 8.699 -13.697 1.00 0.00 H new ATOM 0 HA TYR A 88 17.452 7.812 -11.709 1.00 0.00 H new ATOM 0 HB2 TYR A 88 16.844 10.132 -10.897 1.00 0.00 H new ATOM 0 HB3 TYR A 88 15.208 9.571 -10.614 1.00 0.00 H new ATOM 0 HD1 TYR A 88 18.776 8.817 -9.757 1.00 0.00 H new ATOM 0 HD2 TYR A 88 14.656 8.441 -8.604 1.00 0.00 H new ATOM 0 HE1 TYR A 88 19.475 7.902 -7.561 1.00 0.00 H new ATOM 0 HE2 TYR A 88 15.354 7.527 -6.407 1.00 0.00 H new ATOM 0 HH TYR A 88 17.054 6.942 -5.084 1.00 0.00 H new ATOM 1319 N TRP A 89 14.187 7.331 -11.353 1.00 0.00 N ATOM 1320 CA TRP A 89 13.187 6.305 -11.097 1.00 0.00 C ATOM 1321 C TRP A 89 13.229 5.238 -12.187 1.00 0.00 C ATOM 1322 O TRP A 89 13.296 4.044 -11.894 1.00 0.00 O ATOM 1323 CB TRP A 89 11.792 6.939 -11.055 1.00 0.00 C ATOM 1324 CG TRP A 89 10.758 5.867 -10.909 1.00 0.00 C ATOM 1325 CD1 TRP A 89 10.731 4.947 -9.919 1.00 0.00 C ATOM 1326 CD2 TRP A 89 9.611 5.586 -11.762 1.00 0.00 C ATOM 1327 NE1 TRP A 89 9.640 4.120 -10.108 1.00 0.00 N ATOM 1328 CE2 TRP A 89 8.917 4.474 -11.229 1.00 0.00 C ATOM 1329 CE3 TRP A 89 9.108 6.185 -12.932 1.00 0.00 C ATOM 1330 CZ2 TRP A 89 7.766 3.971 -11.837 1.00 0.00 C ATOM 1331 CZ3 TRP A 89 7.949 5.681 -13.546 1.00 0.00 C ATOM 1332 CH2 TRP A 89 7.281 4.577 -12.999 1.00 0.00 C ATOM 0 H TRP A 89 13.815 8.278 -11.427 1.00 0.00 H new ATOM 0 HA TRP A 89 13.405 5.838 -10.136 1.00 0.00 H new ATOM 0 HB2 TRP A 89 11.725 7.639 -10.222 1.00 0.00 H new ATOM 0 HB3 TRP A 89 11.613 7.509 -11.966 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.445 4.871 -9.112 1.00 0.00 H new ATOM 0 HE1 TRP A 89 9.398 3.342 -9.494 1.00 0.00 H new ATOM 0 HE3 TRP A 89 9.616 7.037 -13.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.254 3.120 -11.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.571 6.147 -14.444 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.391 4.194 -13.476 1.00 0.00 H new ATOM 1343 N TRP A 90 13.182 5.671 -13.441 1.00 0.00 N ATOM 1344 CA TRP A 90 13.212 4.737 -14.558 1.00 0.00 C ATOM 1345 C TRP A 90 14.585 4.091 -14.682 1.00 0.00 C ATOM 1346 O TRP A 90 14.702 2.866 -14.737 1.00 0.00 O ATOM 1347 CB TRP A 90 12.873 5.474 -15.865 1.00 0.00 C ATOM 1348 CG TRP A 90 12.360 4.499 -16.876 1.00 0.00 C ATOM 1349 CD1 TRP A 90 13.022 4.118 -17.992 1.00 0.00 C ATOM 1350 CD2 TRP A 90 11.099 3.771 -16.875 1.00 0.00 C ATOM 1351 NE1 TRP A 90 12.243 3.205 -18.680 1.00 0.00 N ATOM 1352 CE2 TRP A 90 11.048 2.959 -18.032 1.00 0.00 C ATOM 1353 CE3 TRP A 90 10.003 3.739 -15.993 1.00 0.00 C ATOM 1354 CZ2 TRP A 90 9.949 2.144 -18.306 1.00 0.00 C ATOM 1355 CZ3 TRP A 90 8.896 2.918 -16.265 1.00 0.00 C ATOM 1356 CH2 TRP A 90 8.869 2.123 -17.419 1.00 0.00 C ATOM 0 H TRP A 90 13.124 6.654 -13.708 1.00 0.00 H new ATOM 0 HA TRP A 90 12.472 3.958 -14.374 1.00 0.00 H new ATOM 0 HB2 TRP A 90 12.125 6.244 -15.676 1.00 0.00 H new ATOM 0 HB3 TRP A 90 13.759 5.979 -16.250 1.00 0.00 H new ATOM 0 HD1 TRP A 90 13.997 4.468 -18.296 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.518 2.767 -19.559 1.00 0.00 H new ATOM 0 HE3 TRP A 90 10.013 4.349 -15.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 9.933 1.534 -19.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 8.061 2.899 -15.581 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.014 1.495 -17.623 1.00 0.00 H new ATOM 1367 N LYS A 91 15.626 4.922 -14.728 1.00 0.00 N ATOM 1368 CA LYS A 91 16.993 4.416 -14.850 1.00 0.00 C ATOM 1369 C LYS A 91 17.700 4.469 -13.502 1.00 0.00 C ATOM 1370 O LYS A 91 17.696 5.496 -12.828 1.00 0.00 O ATOM 1371 CB LYS A 91 17.769 5.254 -15.868 1.00 0.00 C ATOM 1372 CG LYS A 91 17.180 5.034 -17.264 1.00 0.00 C ATOM 1373 CD LYS A 91 17.945 5.886 -18.280 1.00 0.00 C ATOM 1374 CE LYS A 91 17.291 5.747 -19.656 1.00 0.00 C ATOM 1375 NZ LYS A 91 17.322 4.318 -20.079 1.00 0.00 N ATOM 0 H LYS A 91 15.551 5.938 -14.683 1.00 0.00 H new ATOM 0 HA LYS A 91 16.952 3.381 -15.188 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.717 6.310 -15.602 1.00 0.00 H new ATOM 0 HB3 LYS A 91 18.823 4.975 -15.858 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.244 3.980 -17.535 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.123 5.302 -17.271 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.944 6.931 -17.969 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.987 5.568 -18.327 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.262 6.104 -19.619 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.817 6.364 -20.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 17.576 4.259 -21.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.028 3.804 -19.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.384 3.892 -19.933 1.00 0.00 H new ATOM 1389 N ASN A 92 18.313 3.354 -13.118 1.00 0.00 N ATOM 1390 CA ASN A 92 19.026 3.285 -11.846 1.00 0.00 C ATOM 1391 C ASN A 92 20.083 2.188 -11.887 1.00 0.00 C ATOM 1392 O ASN A 92 20.043 1.304 -12.742 1.00 0.00 O ATOM 1393 CB ASN A 92 18.040 3.005 -10.710 1.00 0.00 C ATOM 1394 CG ASN A 92 18.695 3.304 -9.366 1.00 0.00 C ATOM 1395 OD1 ASN A 92 19.462 4.258 -9.248 1.00 0.00 O ATOM 1396 ND2 ASN A 92 18.437 2.539 -8.341 1.00 0.00 N ATOM 0 H ASN A 92 18.331 2.492 -13.663 1.00 0.00 H new ATOM 0 HA ASN A 92 19.517 4.242 -11.672 1.00 0.00 H new ATOM 0 HB2 ASN A 92 17.147 3.618 -10.833 1.00 0.00 H new ATOM 0 HB3 ASN A 92 17.719 1.964 -10.744 1.00 0.00 H new ATOM 0 HD21 ASN A 92 18.872 2.732 -7.439 1.00 0.00 H new ATOM 0 HD22 ASN A 92 17.800 1.748 -8.442 1.00 0.00 H new ATOM 1403 N LEU A 93 21.029 2.250 -10.957 1.00 0.00 N ATOM 1404 CA LEU A 93 22.099 1.257 -10.894 1.00 0.00 C ATOM 1405 C LEU A 93 21.634 0.019 -10.134 1.00 0.00 C ATOM 1406 O LEU A 93 22.393 -0.932 -9.959 1.00 0.00 O ATOM 1407 CB LEU A 93 23.330 1.858 -10.203 1.00 0.00 C ATOM 1408 CG LEU A 93 24.093 2.743 -11.193 1.00 0.00 C ATOM 1409 CD1 LEU A 93 23.180 3.871 -11.680 1.00 0.00 C ATOM 1410 CD2 LEU A 93 25.318 3.339 -10.500 1.00 0.00 C ATOM 0 H LEU A 93 21.079 2.973 -10.239 1.00 0.00 H new ATOM 0 HA LEU A 93 22.363 0.965 -11.911 1.00 0.00 H new ATOM 0 HB2 LEU A 93 23.023 2.444 -9.337 1.00 0.00 H new ATOM 0 HB3 LEU A 93 23.978 1.062 -9.836 1.00 0.00 H new ATOM 0 HG LEU A 93 24.413 2.144 -12.046 1.00 0.00 H new ATOM 0 HD11 LEU A 93 23.724 4.501 -12.385 1.00 0.00 H new ATOM 0 HD12 LEU A 93 22.307 3.445 -12.173 1.00 0.00 H new ATOM 0 HD13 LEU A 93 22.859 4.472 -10.829 1.00 0.00 H new ATOM 0 HD21 LEU A 93 25.863 3.969 -11.203 1.00 0.00 H new ATOM 0 HD22 LEU A 93 24.998 3.938 -9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 93 25.968 2.535 -10.155 1.00 0.00 H new ATOM 1422 N LYS A 94 20.385 0.041 -9.684 1.00 0.00 N ATOM 1423 CA LYS A 94 19.833 -1.085 -8.941 1.00 0.00 C ATOM 1424 C LYS A 94 19.833 -2.345 -9.800 1.00 0.00 C ATOM 1425 O LYS A 94 20.073 -3.444 -9.305 1.00 0.00 O ATOM 1426 CB LYS A 94 18.404 -0.767 -8.497 1.00 0.00 C ATOM 1427 CG LYS A 94 17.878 -1.900 -7.615 1.00 0.00 C ATOM 1428 CD LYS A 94 16.487 -1.538 -7.092 1.00 0.00 C ATOM 1429 CE LYS A 94 15.981 -2.649 -6.171 1.00 0.00 C ATOM 1430 NZ LYS A 94 15.771 -3.893 -6.962 1.00 0.00 N ATOM 0 H LYS A 94 19.740 0.819 -9.819 1.00 0.00 H new ATOM 0 HA LYS A 94 20.456 -1.258 -8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 94 18.384 0.174 -7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.761 -0.642 -9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 94 17.833 -2.828 -8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 94 18.558 -2.071 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 94 16.525 -0.592 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.798 -1.401 -7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 94 16.701 -2.830 -5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.048 -2.346 -5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.971 -4.426 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 15.565 -3.645 -7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 16.630 -4.478 -6.923 1.00 0.00 H new ATOM 1444 N MET A 95 19.560 -2.175 -11.088 1.00 0.00 N ATOM 1445 CA MET A 95 19.530 -3.304 -12.009 1.00 0.00 C ATOM 1446 C MET A 95 20.908 -3.950 -12.111 1.00 0.00 C ATOM 1447 O MET A 95 21.025 -5.170 -12.235 1.00 0.00 O ATOM 1448 CB MET A 95 19.079 -2.839 -13.394 1.00 0.00 C ATOM 1449 CG MET A 95 17.622 -2.377 -13.327 1.00 0.00 C ATOM 1450 SD MET A 95 17.117 -1.735 -14.944 1.00 0.00 S ATOM 1451 CE MET A 95 17.041 -3.321 -15.814 1.00 0.00 C ATOM 0 H MET A 95 19.357 -1.272 -11.516 1.00 0.00 H new ATOM 0 HA MET A 95 18.823 -4.040 -11.626 1.00 0.00 H new ATOM 0 HB2 MET A 95 19.715 -2.024 -13.741 1.00 0.00 H new ATOM 0 HB3 MET A 95 19.181 -3.651 -14.113 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.979 -3.208 -13.037 1.00 0.00 H new ATOM 0 HG3 MET A 95 17.509 -1.605 -12.566 1.00 0.00 H new ATOM 0 HE1 MET A 95 16.300 -3.264 -16.611 1.00 0.00 H new ATOM 0 HE2 MET A 95 18.017 -3.548 -16.242 1.00 0.00 H new ATOM 0 HE3 MET A 95 16.760 -4.107 -15.113 1.00 0.00 H new ATOM 1461 N MET A 96 21.948 -3.126 -12.059 1.00 0.00 N ATOM 1462 CA MET A 96 23.315 -3.627 -12.151 1.00 0.00 C ATOM 1463 C MET A 96 23.618 -4.563 -10.986 1.00 0.00 C ATOM 1464 O MET A 96 24.284 -5.583 -11.154 1.00 0.00 O ATOM 1465 CB MET A 96 24.302 -2.460 -12.141 1.00 0.00 C ATOM 1466 CG MET A 96 24.058 -1.571 -13.363 1.00 0.00 C ATOM 1467 SD MET A 96 24.482 -2.484 -14.872 1.00 0.00 S ATOM 1468 CE MET A 96 25.514 -1.211 -15.635 1.00 0.00 C ATOM 0 H MET A 96 21.873 -2.114 -11.954 1.00 0.00 H new ATOM 0 HA MET A 96 23.419 -4.179 -13.085 1.00 0.00 H new ATOM 0 HB2 MET A 96 24.184 -1.879 -11.226 1.00 0.00 H new ATOM 0 HB3 MET A 96 25.325 -2.836 -12.150 1.00 0.00 H new ATOM 0 HG2 MET A 96 23.014 -1.259 -13.396 1.00 0.00 H new ATOM 0 HG3 MET A 96 24.660 -0.665 -13.293 1.00 0.00 H new ATOM 0 HE1 MET A 96 25.887 -1.571 -16.594 1.00 0.00 H new ATOM 0 HE2 MET A 96 24.923 -0.309 -15.792 1.00 0.00 H new ATOM 0 HE3 MET A 96 26.356 -0.984 -14.980 1.00 0.00 H new ATOM 1478 N ILE A 97 23.125 -4.211 -9.806 1.00 0.00 N ATOM 1479 CA ILE A 97 23.348 -5.030 -8.619 1.00 0.00 C ATOM 1480 C ILE A 97 22.708 -6.398 -8.788 1.00 0.00 C ATOM 1481 O ILE A 97 23.312 -7.416 -8.451 1.00 0.00 O ATOM 1482 CB ILE A 97 22.761 -4.336 -7.386 1.00 0.00 C ATOM 1483 CG1 ILE A 97 23.304 -2.902 -7.300 1.00 0.00 C ATOM 1484 CG2 ILE A 97 23.155 -5.105 -6.125 1.00 0.00 C ATOM 1485 CD1 ILE A 97 24.838 -2.919 -7.327 1.00 0.00 C ATOM 0 H ILE A 97 22.571 -3.370 -9.644 1.00 0.00 H new ATOM 0 HA ILE A 97 24.422 -5.158 -8.485 1.00 0.00 H new ATOM 0 HB ILE A 97 21.674 -4.312 -7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 97 22.924 -2.310 -8.133 1.00 0.00 H new ATOM 0 HG13 ILE A 97 22.953 -2.426 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 97 22.736 -4.608 -5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 97 22.769 -6.123 -6.184 1.00 0.00 H new ATOM 0 HG23 ILE A 97 24.241 -5.133 -6.040 1.00 0.00 H new ATOM 0 HD11 ILE A 97 25.214 -1.898 -7.266 1.00 0.00 H new ATOM 0 HD12 ILE A 97 25.210 -3.495 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 97 25.181 -3.377 -8.255 1.00 0.00 H new ATOM 1497 N ILE A 98 21.488 -6.417 -9.303 1.00 0.00 N ATOM 1498 CA ILE A 98 20.774 -7.673 -9.507 1.00 0.00 C ATOM 1499 C ILE A 98 21.519 -8.552 -10.510 1.00 0.00 C ATOM 1500 O ILE A 98 21.658 -9.758 -10.311 1.00 0.00 O ATOM 1501 CB ILE A 98 19.360 -7.390 -10.020 1.00 0.00 C ATOM 1502 CG1 ILE A 98 18.549 -6.701 -8.921 1.00 0.00 C ATOM 1503 CG2 ILE A 98 18.680 -8.710 -10.401 1.00 0.00 C ATOM 1504 CD1 ILE A 98 17.245 -6.163 -9.512 1.00 0.00 C ATOM 0 H ILE A 98 20.972 -5.584 -9.586 1.00 0.00 H new ATOM 0 HA ILE A 98 20.715 -8.199 -8.554 1.00 0.00 H new ATOM 0 HB ILE A 98 19.414 -6.743 -10.895 1.00 0.00 H new ATOM 0 HG12 ILE A 98 18.333 -7.405 -8.117 1.00 0.00 H new ATOM 0 HG13 ILE A 98 19.127 -5.886 -8.484 1.00 0.00 H new ATOM 0 HG21 ILE A 98 17.673 -8.508 -10.766 1.00 0.00 H new ATOM 0 HG22 ILE A 98 19.257 -9.204 -11.182 1.00 0.00 H new ATOM 0 HG23 ILE A 98 18.626 -9.357 -9.526 1.00 0.00 H new ATOM 0 HD11 ILE A 98 16.666 -5.672 -8.730 1.00 0.00 H new ATOM 0 HD12 ILE A 98 17.472 -5.445 -10.300 1.00 0.00 H new ATOM 0 HD13 ILE A 98 16.666 -6.988 -9.928 1.00 0.00 H new ATOM 1516 N LEU A 99 21.987 -7.941 -11.589 1.00 0.00 N ATOM 1517 CA LEU A 99 22.709 -8.678 -12.618 1.00 0.00 C ATOM 1518 C LEU A 99 23.977 -9.293 -12.048 1.00 0.00 C ATOM 1519 O LEU A 99 24.347 -10.416 -12.398 1.00 0.00 O ATOM 1520 CB LEU A 99 23.068 -7.742 -13.773 1.00 0.00 C ATOM 1521 CG LEU A 99 21.788 -7.318 -14.508 1.00 0.00 C ATOM 1522 CD1 LEU A 99 22.095 -6.127 -15.421 1.00 0.00 C ATOM 1523 CD2 LEU A 99 21.253 -8.488 -15.356 1.00 0.00 C ATOM 0 H LEU A 99 21.881 -6.944 -11.775 1.00 0.00 H new ATOM 0 HA LEU A 99 22.066 -9.478 -12.984 1.00 0.00 H new ATOM 0 HB2 LEU A 99 23.590 -6.863 -13.394 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.747 -8.243 -14.463 1.00 0.00 H new ATOM 0 HG LEU A 99 21.033 -7.035 -13.774 1.00 0.00 H new ATOM 0 HD11 LEU A 99 21.187 -5.825 -15.943 1.00 0.00 H new ATOM 0 HD12 LEU A 99 22.463 -5.294 -14.821 1.00 0.00 H new ATOM 0 HD13 LEU A 99 22.854 -6.413 -16.149 1.00 0.00 H new ATOM 0 HD21 LEU A 99 20.345 -8.177 -15.873 1.00 0.00 H new ATOM 0 HD22 LEU A 99 22.006 -8.781 -16.088 1.00 0.00 H new ATOM 0 HD23 LEU A 99 21.029 -9.335 -14.707 1.00 0.00 H new ATOM 1535 N GLY A 100 24.649 -8.549 -11.180 1.00 0.00 N ATOM 1536 CA GLY A 100 25.881 -9.030 -10.572 1.00 0.00 C ATOM 1537 C GLY A 100 25.637 -10.294 -9.757 1.00 0.00 C ATOM 1538 O GLY A 100 26.490 -11.181 -9.698 1.00 0.00 O ATOM 0 H GLY A 100 24.364 -7.616 -10.883 1.00 0.00 H new ATOM 0 HA2 GLY A 100 26.618 -9.232 -11.349 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.299 -8.255 -9.930 1.00 0.00 H new ATOM 1542 N VAL A 101 24.472 -10.369 -9.125 1.00 0.00 N ATOM 1543 CA VAL A 101 24.132 -11.528 -8.310 1.00 0.00 C ATOM 1544 C VAL A 101 24.101 -12.795 -9.167 1.00 0.00 C ATOM 1545 O VAL A 101 24.633 -13.837 -8.772 1.00 0.00 O ATOM 1546 CB VAL A 101 22.766 -11.320 -7.650 1.00 0.00 C ATOM 1547 CG1 VAL A 101 22.337 -12.603 -6.934 1.00 0.00 C ATOM 1548 CG2 VAL A 101 22.861 -10.179 -6.635 1.00 0.00 C ATOM 0 H VAL A 101 23.752 -9.647 -9.160 1.00 0.00 H new ATOM 0 HA VAL A 101 24.893 -11.644 -7.538 1.00 0.00 H new ATOM 0 HB VAL A 101 22.030 -11.071 -8.415 1.00 0.00 H new ATOM 0 HG11 VAL A 101 21.365 -12.451 -6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 101 22.269 -13.417 -7.656 1.00 0.00 H new ATOM 0 HG13 VAL A 101 23.072 -12.856 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 101 21.890 -10.029 -6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 101 23.599 -10.430 -5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 101 23.162 -9.263 -7.144 1.00 0.00 H new ATOM 1558 N ILE A 102 23.467 -12.701 -10.332 1.00 0.00 N ATOM 1559 CA ILE A 102 23.364 -13.851 -11.221 1.00 0.00 C ATOM 1560 C ILE A 102 24.747 -14.329 -11.638 1.00 0.00 C ATOM 1561 O ILE A 102 25.071 -15.498 -11.530 1.00 0.00 O ATOM 1562 CB ILE A 102 22.565 -13.469 -12.466 1.00 0.00 C ATOM 1563 CG1 ILE A 102 21.178 -12.965 -12.049 1.00 0.00 C ATOM 1564 CG2 ILE A 102 22.408 -14.695 -13.368 1.00 0.00 C ATOM 1565 CD1 ILE A 102 20.523 -12.245 -13.226 1.00 0.00 C ATOM 0 H ILE A 102 23.022 -11.851 -10.679 1.00 0.00 H new ATOM 0 HA ILE A 102 22.857 -14.656 -10.689 1.00 0.00 H new ATOM 0 HB ILE A 102 23.092 -12.683 -13.007 1.00 0.00 H new ATOM 0 HG12 ILE A 102 20.556 -13.801 -11.729 1.00 0.00 H new ATOM 0 HG13 ILE A 102 21.265 -12.289 -11.198 1.00 0.00 H new ATOM 0 HG21 ILE A 102 21.838 -14.423 -14.256 1.00 0.00 H new ATOM 0 HG22 ILE A 102 23.392 -15.056 -13.665 1.00 0.00 H new ATOM 0 HG23 ILE A 102 21.882 -15.481 -12.826 1.00 0.00 H new ATOM 0 HD11 ILE A 102 19.537 -11.887 -12.930 1.00 0.00 H new ATOM 0 HD12 ILE A 102 21.142 -11.399 -13.525 1.00 0.00 H new ATOM 0 HD13 ILE A 102 20.422 -12.935 -14.064 1.00 0.00 H new ATOM 1577 N CYS A 103 25.565 -13.411 -12.100 1.00 0.00 N ATOM 1578 CA CYS A 103 26.923 -13.753 -12.523 1.00 0.00 C ATOM 1579 C CYS A 103 27.751 -14.236 -11.333 1.00 0.00 C ATOM 1580 O CYS A 103 28.733 -14.958 -11.493 1.00 0.00 O ATOM 1581 CB CYS A 103 27.601 -12.540 -13.158 1.00 0.00 C ATOM 1582 SG CYS A 103 28.134 -11.387 -11.869 1.00 0.00 S ATOM 0 H CYS A 103 25.325 -12.424 -12.196 1.00 0.00 H new ATOM 0 HA CYS A 103 26.858 -14.555 -13.258 1.00 0.00 H new ATOM 0 HB2 CYS A 103 28.459 -12.860 -13.749 1.00 0.00 H new ATOM 0 HB3 CYS A 103 26.911 -12.043 -13.840 1.00 0.00 H new ATOM 0 HG CYS A 103 27.388 -11.539 -10.815 1.00 0.00 H new ATOM 1588 N ALA A 104 27.365 -13.800 -10.143 1.00 0.00 N ATOM 1589 CA ALA A 104 28.088 -14.170 -8.932 1.00 0.00 C ATOM 1590 C ALA A 104 28.205 -15.683 -8.805 1.00 0.00 C ATOM 1591 O ALA A 104 29.301 -16.213 -8.624 1.00 0.00 O ATOM 1592 CB ALA A 104 27.367 -13.615 -7.698 1.00 0.00 C ATOM 0 H ALA A 104 26.560 -13.193 -9.989 1.00 0.00 H new ATOM 0 HA ALA A 104 29.089 -13.745 -8.997 1.00 0.00 H new ATOM 0 HB1 ALA A 104 27.915 -13.897 -6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 104 27.315 -12.528 -7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 104 26.358 -14.025 -7.651 1.00 0.00 H new ATOM 1598 N ILE A 105 27.071 -16.373 -8.890 1.00 0.00 N ATOM 1599 CA ILE A 105 27.057 -17.823 -8.770 1.00 0.00 C ATOM 1600 C ILE A 105 27.858 -18.469 -9.893 1.00 0.00 C ATOM 1601 O ILE A 105 28.580 -19.441 -9.668 1.00 0.00 O ATOM 1602 CB ILE A 105 25.615 -18.332 -8.791 1.00 0.00 C ATOM 1603 CG1 ILE A 105 24.827 -17.578 -9.853 1.00 0.00 C ATOM 1604 CG2 ILE A 105 24.965 -18.112 -7.429 1.00 0.00 C ATOM 1605 CD1 ILE A 105 23.505 -18.289 -10.129 1.00 0.00 C ATOM 0 H ILE A 105 26.155 -15.951 -9.041 1.00 0.00 H new ATOM 0 HA ILE A 105 27.520 -18.096 -7.822 1.00 0.00 H new ATOM 0 HB ILE A 105 25.616 -19.398 -9.020 1.00 0.00 H new ATOM 0 HG12 ILE A 105 24.637 -16.558 -9.520 1.00 0.00 H new ATOM 0 HG13 ILE A 105 25.411 -17.511 -10.771 1.00 0.00 H new ATOM 0 HG21 ILE A 105 23.938 -18.477 -7.453 1.00 0.00 H new ATOM 0 HG22 ILE A 105 25.525 -18.653 -6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 105 24.966 -17.048 -7.193 1.00 0.00 H new ATOM 0 HD11 ILE A 105 22.949 -17.741 -10.890 1.00 0.00 H new ATOM 0 HD12 ILE A 105 23.703 -19.301 -10.482 1.00 0.00 H new ATOM 0 HD13 ILE A 105 22.917 -18.333 -9.212 1.00 0.00 H new ATOM 1617 N ILE A 106 27.742 -17.917 -11.089 1.00 0.00 N ATOM 1618 CA ILE A 106 28.482 -18.449 -12.223 1.00 0.00 C ATOM 1619 C ILE A 106 29.978 -18.453 -11.921 1.00 0.00 C ATOM 1620 O ILE A 106 30.686 -19.390 -12.290 1.00 0.00 O ATOM 1621 CB ILE A 106 28.186 -17.609 -13.485 1.00 0.00 C ATOM 1622 CG1 ILE A 106 26.993 -18.205 -14.247 1.00 0.00 C ATOM 1623 CG2 ILE A 106 29.412 -17.569 -14.408 1.00 0.00 C ATOM 1624 CD1 ILE A 106 25.756 -18.207 -13.357 1.00 0.00 C ATOM 0 H ILE A 106 27.152 -17.112 -11.300 1.00 0.00 H new ATOM 0 HA ILE A 106 28.165 -19.476 -12.405 1.00 0.00 H new ATOM 0 HB ILE A 106 27.947 -16.593 -13.171 1.00 0.00 H new ATOM 0 HG12 ILE A 106 26.801 -17.625 -15.150 1.00 0.00 H new ATOM 0 HG13 ILE A 106 27.225 -19.222 -14.564 1.00 0.00 H new ATOM 0 HG21 ILE A 106 29.183 -16.973 -15.291 1.00 0.00 H new ATOM 0 HG22 ILE A 106 30.253 -17.123 -13.877 1.00 0.00 H new ATOM 0 HG23 ILE A 106 29.672 -18.583 -14.712 1.00 0.00 H new ATOM 0 HD11 ILE A 106 24.914 -18.631 -13.905 1.00 0.00 H new ATOM 0 HD12 ILE A 106 25.949 -18.806 -12.467 1.00 0.00 H new ATOM 0 HD13 ILE A 106 25.519 -17.185 -13.062 1.00 0.00 H new ATOM 1636 N LEU A 107 30.454 -17.383 -11.310 1.00 0.00 N ATOM 1637 CA LEU A 107 31.873 -17.262 -11.011 1.00 0.00 C ATOM 1638 C LEU A 107 32.321 -18.403 -10.120 1.00 0.00 C ATOM 1639 O LEU A 107 33.411 -18.940 -10.289 1.00 0.00 O ATOM 1640 CB LEU A 107 32.145 -15.925 -10.320 1.00 0.00 C ATOM 1641 CG LEU A 107 31.985 -14.777 -11.326 1.00 0.00 C ATOM 1642 CD1 LEU A 107 31.993 -13.441 -10.580 1.00 0.00 C ATOM 1643 CD2 LEU A 107 33.141 -14.804 -12.346 1.00 0.00 C ATOM 0 H LEU A 107 29.886 -16.590 -11.012 1.00 0.00 H new ATOM 0 HA LEU A 107 32.434 -17.305 -11.944 1.00 0.00 H new ATOM 0 HB2 LEU A 107 31.456 -15.789 -9.487 1.00 0.00 H new ATOM 0 HB3 LEU A 107 33.153 -15.919 -9.904 1.00 0.00 H new ATOM 0 HG LEU A 107 31.040 -14.895 -11.856 1.00 0.00 H new ATOM 0 HD11 LEU A 107 31.879 -12.625 -11.294 1.00 0.00 H new ATOM 0 HD12 LEU A 107 31.169 -13.417 -9.867 1.00 0.00 H new ATOM 0 HD13 LEU A 107 32.937 -13.328 -10.047 1.00 0.00 H new ATOM 0 HD21 LEU A 107 33.019 -13.986 -13.056 1.00 0.00 H new ATOM 0 HD22 LEU A 107 34.091 -14.692 -11.823 1.00 0.00 H new ATOM 0 HD23 LEU A 107 33.132 -15.753 -12.881 1.00 0.00 H new ATOM 1655 N ILE A 108 31.471 -18.773 -9.177 1.00 0.00 N ATOM 1656 CA ILE A 108 31.795 -19.861 -8.259 1.00 0.00 C ATOM 1657 C ILE A 108 32.032 -21.153 -9.021 1.00 0.00 C ATOM 1658 O ILE A 108 32.966 -21.895 -8.719 1.00 0.00 O ATOM 1659 CB ILE A 108 30.648 -20.057 -7.261 1.00 0.00 C ATOM 1660 CG1 ILE A 108 30.312 -18.716 -6.596 1.00 0.00 C ATOM 1661 CG2 ILE A 108 31.064 -21.064 -6.189 1.00 0.00 C ATOM 1662 CD1 ILE A 108 31.575 -18.109 -5.966 1.00 0.00 C ATOM 0 H ILE A 108 30.559 -18.343 -9.024 1.00 0.00 H new ATOM 0 HA ILE A 108 32.707 -19.600 -7.722 1.00 0.00 H new ATOM 0 HB ILE A 108 29.772 -20.432 -7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 108 29.898 -18.029 -7.334 1.00 0.00 H new ATOM 0 HG13 ILE A 108 29.549 -18.861 -5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 108 30.246 -21.201 -5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 108 31.301 -22.019 -6.659 1.00 0.00 H new ATOM 0 HG23 ILE A 108 31.942 -20.692 -5.661 1.00 0.00 H new ATOM 0 HD11 ILE A 108 31.326 -17.157 -5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 108 31.971 -18.792 -5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 108 32.325 -17.947 -6.740 1.00 0.00 H new ATOM 1674 N ILE A 109 31.187 -21.421 -10.003 1.00 0.00 N ATOM 1675 CA ILE A 109 31.319 -22.634 -10.802 1.00 0.00 C ATOM 1676 C ILE A 109 32.637 -22.635 -11.563 1.00 0.00 C ATOM 1677 O ILE A 109 33.318 -23.659 -11.636 1.00 0.00 O ATOM 1678 CB ILE A 109 30.156 -22.736 -11.793 1.00 0.00 C ATOM 1679 CG1 ILE A 109 28.830 -22.577 -11.042 1.00 0.00 C ATOM 1680 CG2 ILE A 109 30.186 -24.101 -12.484 1.00 0.00 C ATOM 1681 CD1 ILE A 109 28.743 -23.605 -9.903 1.00 0.00 C ATOM 0 H ILE A 109 30.406 -20.821 -10.267 1.00 0.00 H new ATOM 0 HA ILE A 109 31.301 -23.492 -10.130 1.00 0.00 H new ATOM 0 HB ILE A 109 30.250 -21.949 -12.541 1.00 0.00 H new ATOM 0 HG12 ILE A 109 28.750 -21.568 -10.638 1.00 0.00 H new ATOM 0 HG13 ILE A 109 27.995 -22.712 -11.729 1.00 0.00 H new ATOM 0 HG21 ILE A 109 29.357 -24.170 -13.189 1.00 0.00 H new ATOM 0 HG22 ILE A 109 31.128 -24.217 -13.020 1.00 0.00 H new ATOM 0 HG23 ILE A 109 30.094 -24.889 -11.737 1.00 0.00 H new ATOM 0 HD11 ILE A 109 27.797 -23.484 -9.375 1.00 0.00 H new ATOM 0 HD12 ILE A 109 28.802 -24.612 -10.316 1.00 0.00 H new ATOM 0 HD13 ILE A 109 29.569 -23.449 -9.208 1.00 0.00 H new ATOM 1693 N ILE A 110 32.986 -21.491 -12.134 1.00 0.00 N ATOM 1694 CA ILE A 110 34.224 -21.377 -12.895 1.00 0.00 C ATOM 1695 C ILE A 110 35.430 -21.633 -11.993 1.00 0.00 C ATOM 1696 O ILE A 110 36.362 -22.339 -12.376 1.00 0.00 O ATOM 1697 CB ILE A 110 34.329 -19.981 -13.513 1.00 0.00 C ATOM 1698 CG1 ILE A 110 33.253 -19.819 -14.590 1.00 0.00 C ATOM 1699 CG2 ILE A 110 35.715 -19.800 -14.146 1.00 0.00 C ATOM 1700 CD1 ILE A 110 33.176 -18.352 -15.018 1.00 0.00 C ATOM 0 H ILE A 110 32.435 -20.634 -12.086 1.00 0.00 H new ATOM 0 HA ILE A 110 34.214 -22.124 -13.689 1.00 0.00 H new ATOM 0 HB ILE A 110 34.185 -19.230 -12.736 1.00 0.00 H new ATOM 0 HG12 ILE A 110 33.486 -20.448 -15.449 1.00 0.00 H new ATOM 0 HG13 ILE A 110 32.287 -20.148 -14.207 1.00 0.00 H new ATOM 0 HG21 ILE A 110 35.787 -18.805 -14.585 1.00 0.00 H new ATOM 0 HG22 ILE A 110 36.482 -19.915 -13.381 1.00 0.00 H new ATOM 0 HG23 ILE A 110 35.861 -20.551 -14.922 1.00 0.00 H new ATOM 0 HD11 ILE A 110 32.410 -18.236 -15.785 1.00 0.00 H new ATOM 0 HD12 ILE A 110 32.923 -17.734 -14.156 1.00 0.00 H new ATOM 0 HD13 ILE A 110 34.140 -18.039 -15.418 1.00 0.00 H new ATOM 1712 N ILE A 111 35.403 -21.055 -10.801 1.00 0.00 N ATOM 1713 CA ILE A 111 36.499 -21.232 -9.858 1.00 0.00 C ATOM 1714 C ILE A 111 36.612 -22.687 -9.428 1.00 0.00 C ATOM 1715 O ILE A 111 37.712 -23.238 -9.367 1.00 0.00 O ATOM 1716 CB ILE A 111 36.276 -20.344 -8.625 1.00 0.00 C ATOM 1717 CG1 ILE A 111 36.395 -18.868 -9.028 1.00 0.00 C ATOM 1718 CG2 ILE A 111 37.326 -20.663 -7.560 1.00 0.00 C ATOM 1719 CD1 ILE A 111 37.809 -18.565 -9.558 1.00 0.00 C ATOM 0 H ILE A 111 34.642 -20.465 -10.465 1.00 0.00 H new ATOM 0 HA ILE A 111 37.427 -20.943 -10.352 1.00 0.00 H new ATOM 0 HB ILE A 111 35.282 -20.535 -8.222 1.00 0.00 H new ATOM 0 HG12 ILE A 111 35.655 -18.633 -9.794 1.00 0.00 H new ATOM 0 HG13 ILE A 111 36.178 -18.232 -8.170 1.00 0.00 H new ATOM 0 HG21 ILE A 111 37.163 -20.030 -6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 111 37.243 -21.710 -7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 111 38.321 -20.476 -7.963 1.00 0.00 H new ATOM 0 HD11 ILE A 111 37.875 -17.514 -9.839 1.00 0.00 H new ATOM 0 HD12 ILE A 111 38.543 -18.780 -8.781 1.00 0.00 H new ATOM 0 HD13 ILE A 111 38.012 -19.187 -10.430 1.00 0.00 H new ATOM 1731 N VAL A 112 35.478 -23.298 -9.133 1.00 0.00 N ATOM 1732 CA VAL A 112 35.455 -24.689 -8.708 1.00 0.00 C ATOM 1733 C VAL A 112 35.896 -25.596 -9.850 1.00 0.00 C ATOM 1734 O VAL A 112 36.657 -26.541 -9.644 1.00 0.00 O ATOM 1735 CB VAL A 112 34.048 -25.073 -8.247 1.00 0.00 C ATOM 1736 CG1 VAL A 112 33.998 -26.577 -7.959 1.00 0.00 C ATOM 1737 CG2 VAL A 112 33.700 -24.301 -6.971 1.00 0.00 C ATOM 0 H VAL A 112 34.561 -22.854 -9.179 1.00 0.00 H new ATOM 0 HA VAL A 112 36.147 -24.813 -7.875 1.00 0.00 H new ATOM 0 HB VAL A 112 33.330 -24.827 -9.030 1.00 0.00 H new ATOM 0 HG11 VAL A 112 32.996 -26.851 -7.630 1.00 0.00 H new ATOM 0 HG12 VAL A 112 34.247 -27.129 -8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 112 34.716 -26.822 -7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 112 32.697 -24.574 -6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 112 34.418 -24.548 -6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.736 -23.230 -7.172 1.00 0.00 H new ATOM 1747 N TYR A 113 35.402 -25.309 -11.048 1.00 0.00 N ATOM 1748 CA TYR A 113 35.742 -26.108 -12.214 1.00 0.00 C ATOM 1749 C TYR A 113 37.244 -26.086 -12.467 1.00 0.00 C ATOM 1750 O TYR A 113 37.847 -27.105 -12.802 1.00 0.00 O ATOM 1751 CB TYR A 113 35.000 -25.586 -13.447 1.00 0.00 C ATOM 1752 CG TYR A 113 35.429 -26.368 -14.667 1.00 0.00 C ATOM 1753 CD1 TYR A 113 34.951 -27.670 -14.868 1.00 0.00 C ATOM 1754 CD2 TYR A 113 36.309 -25.796 -15.594 1.00 0.00 C ATOM 1755 CE1 TYR A 113 35.351 -28.394 -15.997 1.00 0.00 C ATOM 1756 CE2 TYR A 113 36.707 -26.520 -16.722 1.00 0.00 C ATOM 1757 CZ TYR A 113 36.228 -27.821 -16.924 1.00 0.00 C ATOM 1758 OH TYR A 113 36.621 -28.535 -18.037 1.00 0.00 O ATOM 0 H TYR A 113 34.768 -24.532 -11.235 1.00 0.00 H new ATOM 0 HA TYR A 113 35.438 -27.137 -12.021 1.00 0.00 H new ATOM 0 HB2 TYR A 113 33.924 -25.680 -13.303 1.00 0.00 H new ATOM 0 HB3 TYR A 113 35.211 -24.526 -13.589 1.00 0.00 H new ATOM 0 HD1 TYR A 113 34.275 -28.114 -14.153 1.00 0.00 H new ATOM 0 HD2 TYR A 113 36.681 -24.794 -15.437 1.00 0.00 H new ATOM 0 HE1 TYR A 113 34.982 -29.397 -16.153 1.00 0.00 H new ATOM 0 HE2 TYR A 113 37.384 -26.076 -17.437 1.00 0.00 H new ATOM 0 HH TYR A 113 37.230 -27.990 -18.577 1.00 0.00 H new ATOM 1768 N PHE A 114 37.837 -24.917 -12.306 1.00 0.00 N ATOM 1769 CA PHE A 114 39.271 -24.757 -12.519 1.00 0.00 C ATOM 1770 C PHE A 114 40.055 -25.676 -11.591 1.00 0.00 C ATOM 1771 O PHE A 114 41.037 -26.297 -11.996 1.00 0.00 O ATOM 1772 CB PHE A 114 39.686 -23.305 -12.281 1.00 0.00 C ATOM 1773 CG PHE A 114 41.135 -23.122 -12.668 1.00 0.00 C ATOM 1774 CD1 PHE A 114 41.483 -22.940 -14.012 1.00 0.00 C ATOM 1775 CD2 PHE A 114 42.130 -23.136 -11.684 1.00 0.00 C ATOM 1776 CE1 PHE A 114 42.825 -22.769 -14.371 1.00 0.00 C ATOM 1777 CE2 PHE A 114 43.473 -22.967 -12.043 1.00 0.00 C ATOM 1778 CZ PHE A 114 43.821 -22.783 -13.386 1.00 0.00 C ATOM 0 H PHE A 114 37.352 -24.063 -12.029 1.00 0.00 H new ATOM 0 HA PHE A 114 39.494 -25.025 -13.552 1.00 0.00 H new ATOM 0 HB2 PHE A 114 39.056 -22.635 -12.866 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.543 -23.043 -11.233 1.00 0.00 H new ATOM 0 HD1 PHE A 114 40.716 -22.932 -14.772 1.00 0.00 H new ATOM 0 HD2 PHE A 114 41.862 -23.277 -10.647 1.00 0.00 H new ATOM 0 HE1 PHE A 114 43.093 -22.626 -15.408 1.00 0.00 H new ATOM 0 HE2 PHE A 114 44.240 -22.979 -11.283 1.00 0.00 H new ATOM 0 HZ PHE A 114 44.857 -22.652 -13.663 1.00 0.00 H new ATOM 1788 N SER A 115 39.622 -25.748 -10.342 1.00 0.00 N ATOM 1789 CA SER A 115 40.286 -26.587 -9.354 1.00 0.00 C ATOM 1790 C SER A 115 39.870 -28.046 -9.514 1.00 0.00 C ATOM 1791 O SER A 115 40.432 -28.936 -8.878 1.00 0.00 O ATOM 1792 CB SER A 115 39.947 -26.111 -7.941 1.00 0.00 C ATOM 1793 OG SER A 115 38.575 -26.374 -7.676 1.00 0.00 O ATOM 0 H SER A 115 38.814 -25.236 -9.988 1.00 0.00 H new ATOM 0 HA SER A 115 41.361 -26.509 -9.513 1.00 0.00 H new ATOM 0 HB2 SER A 115 40.575 -26.622 -7.212 1.00 0.00 H new ATOM 0 HB3 SER A 115 40.150 -25.044 -7.845 1.00 0.00 H new ATOM 0 HG SER A 115 38.070 -26.356 -8.516 1.00 0.00 H new ATOM 1799 N THR A 116 38.882 -28.282 -10.369 1.00 0.00 N ATOM 1800 CA THR A 116 38.395 -29.632 -10.609 1.00 0.00 C ATOM 1801 C THR A 116 39.327 -30.380 -11.557 1.00 0.00 C ATOM 1802 O THR A 116 38.942 -30.585 -12.696 1.00 0.00 O ATOM 1803 CB THR A 116 36.987 -29.588 -11.206 1.00 0.00 C ATOM 1804 OG1 THR A 116 36.177 -28.708 -10.439 1.00 0.00 O ATOM 1805 CG2 THR A 116 36.377 -30.988 -11.191 1.00 0.00 C ATOM 1806 OXT THR A 116 40.414 -30.734 -11.131 1.00 0.00 O ATOM 0 H THR A 116 38.405 -27.558 -10.905 1.00 0.00 H new ATOM 0 HA THR A 116 38.366 -30.158 -9.654 1.00 0.00 H new ATOM 0 HB THR A 116 37.041 -29.231 -12.235 1.00 0.00 H new ATOM 0 HG1 THR A 116 36.574 -27.812 -10.443 1.00 0.00 H new ATOM 0 HG21 THR A 116 35.374 -30.953 -11.617 1.00 0.00 H new ATOM 0 HG22 THR A 116 36.998 -31.662 -11.781 1.00 0.00 H new ATOM 0 HG23 THR A 116 36.322 -31.350 -10.164 1.00 0.00 H new TER 1814 THR A 116