USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 SER OG : rot 109:sc= 1.11 USER MOD Set 1.2: A 45 CYS SG : rot 135:sc= -0.203 USER MOD Set 2.1: A 27 HIS :FLIP no HD1:sc= -2.5 F(o=-13,f=-12) USER MOD Set 2.2: A 30 LYS NZ :NH3+ 166:sc= 0.00853 (180deg=0) USER MOD Set 2.3: A 31 HIS : no HE2:sc= -9.24 K(o=-12,f=-13!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.0322 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.112) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -132:sc=-0.000187 (180deg=-0.18) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -125:sc= -0.24 (180deg=-0.787) USER MOD Single : A 14 SER OG : rot 180:sc= -0.233 USER MOD Single : A 15 SER OG : rot 180:sc=-0.00249 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.34 X(o=-1.3,f=-0.95) USER MOD Single : A 22 THR OG1 : rot 86:sc= 1.02 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -127:sc= -0.0137 (180deg=-0.422) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc=-0.00329 K(o=-0.0033,f=-1.5) USER MOD Single : A 42 SER OG : rot 170:sc= -1.56 USER MOD Single : A 43 LYS NZ :NH3+ -130:sc= -0.413 (180deg=-1.45) USER MOD Single : A 44 LYS NZ :NH3+ -134:sc= -0.0157 (180deg=-0.225) USER MOD Single : A 46 SER OG : rot 180:sc= -0.212 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -115:sc= 0.756 USER MOD Single : A 52 MET CE :methyl -137:sc= -2.17 (180deg=-3.83!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.113 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -132:sc= 0.76 (180deg=-0.584) USER MOD Single : A 58 SER OG : rot -109:sc= 0.314 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.368 18.960 -1.988 1.00 0.00 N ATOM 2 CA MET A 1 -24.977 18.710 -1.508 1.00 0.00 C ATOM 3 C MET A 1 -24.085 18.275 -2.673 1.00 0.00 C ATOM 4 O MET A 1 -24.548 17.694 -3.636 1.00 0.00 O ATOM 5 CB MET A 1 -25.110 17.581 -0.484 1.00 0.00 C ATOM 6 CG MET A 1 -23.820 17.477 0.332 1.00 0.00 C ATOM 7 SD MET A 1 -23.970 16.128 1.529 1.00 0.00 S ATOM 8 CE MET A 1 -22.214 15.699 1.607 1.00 0.00 C ATOM 0 H1 MET A 1 -26.611 19.960 -1.842 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.432 18.733 -3.001 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.032 18.361 -1.456 1.00 0.00 H new ATOM 0 HA MET A 1 -24.522 19.602 -1.077 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.956 17.772 0.176 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.309 16.637 -0.991 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.972 17.298 -0.329 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.628 18.417 0.849 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.072 14.871 2.302 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.867 15.405 0.617 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.643 16.562 1.949 1.00 0.00 H new ATOM 20 N GLY A 2 -22.808 18.554 -2.590 1.00 0.00 N ATOM 21 CA GLY A 2 -21.877 18.162 -3.688 1.00 0.00 C ATOM 22 C GLY A 2 -21.945 19.198 -4.811 1.00 0.00 C ATOM 23 O GLY A 2 -22.924 19.285 -5.528 1.00 0.00 O ATOM 0 H GLY A 2 -22.371 19.038 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -20.858 18.090 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -22.144 17.177 -4.071 1.00 0.00 H new ATOM 27 N LYS A 3 -20.910 19.983 -4.968 1.00 0.00 N ATOM 28 CA LYS A 3 -20.903 21.018 -6.044 1.00 0.00 C ATOM 29 C LYS A 3 -20.071 20.538 -7.236 1.00 0.00 C ATOM 30 O LYS A 3 -20.472 20.675 -8.377 1.00 0.00 O ATOM 31 CB LYS A 3 -20.262 22.251 -5.404 1.00 0.00 C ATOM 32 CG LYS A 3 -21.260 22.904 -4.445 1.00 0.00 C ATOM 33 CD LYS A 3 -20.600 24.103 -3.762 1.00 0.00 C ATOM 34 CE LYS A 3 -21.492 24.595 -2.619 1.00 0.00 C ATOM 35 NZ LYS A 3 -21.172 23.701 -1.471 1.00 0.00 N ATOM 0 H LYS A 3 -20.067 19.951 -4.395 1.00 0.00 H new ATOM 0 HA LYS A 3 -21.904 21.228 -6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -19.357 21.966 -4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -19.964 22.961 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -22.148 23.225 -4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -21.589 22.182 -3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.620 23.822 -3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -20.441 24.904 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -21.285 25.638 -2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -22.547 24.533 -2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -22.049 23.451 -0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -20.715 22.835 -1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -20.528 24.192 -0.818 1.00 0.00 H new ATOM 49 N GLY A 4 -18.918 19.975 -6.976 1.00 0.00 N ATOM 50 CA GLY A 4 -18.053 19.482 -8.088 1.00 0.00 C ATOM 51 C GLY A 4 -18.645 18.193 -8.663 1.00 0.00 C ATOM 52 O GLY A 4 -19.179 17.371 -7.944 1.00 0.00 O ATOM 0 H GLY A 4 -18.539 19.836 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.978 20.240 -8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.042 19.299 -7.723 1.00 0.00 H new ATOM 56 N ASP A 5 -18.549 18.011 -9.958 1.00 0.00 N ATOM 57 CA ASP A 5 -19.099 16.772 -10.597 1.00 0.00 C ATOM 58 C ASP A 5 -18.746 16.739 -12.096 1.00 0.00 C ATOM 59 O ASP A 5 -18.085 15.823 -12.541 1.00 0.00 O ATOM 60 CB ASP A 5 -20.621 16.838 -10.400 1.00 0.00 C ATOM 61 CG ASP A 5 -21.042 15.871 -9.290 1.00 0.00 C ATOM 62 OD1 ASP A 5 -20.953 14.675 -9.508 1.00 0.00 O ATOM 63 OD2 ASP A 5 -21.446 16.346 -8.241 1.00 0.00 O ATOM 0 H ASP A 5 -18.112 18.669 -10.603 1.00 0.00 H new ATOM 0 HA ASP A 5 -18.679 15.870 -10.152 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -20.920 17.854 -10.143 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -21.129 16.582 -11.330 1.00 0.00 H new ATOM 68 N PRO A 6 -19.192 17.735 -12.840 1.00 0.00 N ATOM 69 CA PRO A 6 -18.893 17.771 -14.297 1.00 0.00 C ATOM 70 C PRO A 6 -17.424 18.119 -14.526 1.00 0.00 C ATOM 71 O PRO A 6 -16.761 17.551 -15.372 1.00 0.00 O ATOM 72 CB PRO A 6 -19.773 18.902 -14.820 1.00 0.00 C ATOM 73 CG PRO A 6 -19.982 19.790 -13.639 1.00 0.00 C ATOM 74 CD PRO A 6 -19.998 18.900 -12.426 1.00 0.00 C ATOM 0 HA PRO A 6 -19.079 16.816 -14.789 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -19.289 19.436 -15.637 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -20.720 18.523 -15.204 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -19.185 20.530 -13.565 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -20.919 20.339 -13.729 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -19.567 19.398 -11.558 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -21.013 18.609 -12.155 1.00 0.00 H new ATOM 82 N ASN A 7 -16.927 19.072 -13.784 1.00 0.00 N ATOM 83 CA ASN A 7 -15.512 19.502 -13.951 1.00 0.00 C ATOM 84 C ASN A 7 -14.758 19.386 -12.622 1.00 0.00 C ATOM 85 O ASN A 7 -13.683 18.820 -12.558 1.00 0.00 O ATOM 86 CB ASN A 7 -15.612 20.967 -14.397 1.00 0.00 C ATOM 87 CG ASN A 7 -15.196 21.093 -15.865 1.00 0.00 C ATOM 88 OD1 ASN A 7 -14.130 21.590 -16.167 1.00 0.00 O ATOM 89 ND2 ASN A 7 -16.003 20.658 -16.794 1.00 0.00 N ATOM 0 H ASN A 7 -17.447 19.574 -13.064 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.967 18.888 -14.668 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -16.632 21.327 -14.267 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -14.972 21.591 -13.773 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.739 20.735 -17.776 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -16.898 20.241 -16.538 1.00 0.00 H new ATOM 96 N LYS A 8 -15.316 19.920 -11.564 1.00 0.00 N ATOM 97 CA LYS A 8 -14.635 19.846 -10.236 1.00 0.00 C ATOM 98 C LYS A 8 -14.899 18.482 -9.577 1.00 0.00 C ATOM 99 O LYS A 8 -15.965 17.922 -9.742 1.00 0.00 O ATOM 100 CB LYS A 8 -15.256 20.973 -9.409 1.00 0.00 C ATOM 101 CG LYS A 8 -14.609 22.305 -9.794 1.00 0.00 C ATOM 102 CD LYS A 8 -13.210 22.390 -9.181 1.00 0.00 C ATOM 103 CE LYS A 8 -12.588 23.747 -9.517 1.00 0.00 C ATOM 104 NZ LYS A 8 -13.193 24.699 -8.544 1.00 0.00 N ATOM 0 H LYS A 8 -16.214 20.404 -11.563 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.553 19.951 -10.320 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.331 21.015 -9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.112 20.780 -8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.548 22.391 -10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.223 23.134 -9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.266 22.261 -8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.583 21.585 -9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.503 23.719 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.808 24.039 -10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.530 25.544 -9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.993 24.242 -8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.479 24.977 -7.841 1.00 0.00 H new ATOM 118 N PRO A 9 -13.924 17.981 -8.846 1.00 0.00 N ATOM 119 CA PRO A 9 -14.090 16.669 -8.173 1.00 0.00 C ATOM 120 C PRO A 9 -15.029 16.800 -6.970 1.00 0.00 C ATOM 121 O PRO A 9 -15.640 17.831 -6.759 1.00 0.00 O ATOM 122 CB PRO A 9 -12.677 16.312 -7.719 1.00 0.00 C ATOM 123 CG PRO A 9 -11.965 17.621 -7.593 1.00 0.00 C ATOM 124 CD PRO A 9 -12.599 18.569 -8.579 1.00 0.00 C ATOM 0 HA PRO A 9 -14.528 15.910 -8.822 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.691 15.778 -6.769 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.183 15.663 -8.442 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.049 18.009 -6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.902 17.503 -7.802 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.685 19.574 -8.166 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.008 18.649 -9.491 1.00 0.00 H new ATOM 132 N ARG A 10 -15.145 15.762 -6.182 1.00 0.00 N ATOM 133 CA ARG A 10 -16.042 15.815 -4.989 1.00 0.00 C ATOM 134 C ARG A 10 -15.562 14.827 -3.922 1.00 0.00 C ATOM 135 O ARG A 10 -16.347 14.106 -3.336 1.00 0.00 O ATOM 136 CB ARG A 10 -17.421 15.413 -5.511 1.00 0.00 C ATOM 137 CG ARG A 10 -18.502 15.965 -4.580 1.00 0.00 C ATOM 138 CD ARG A 10 -19.842 15.299 -4.902 1.00 0.00 C ATOM 139 NE ARG A 10 -19.834 14.026 -4.131 1.00 0.00 N ATOM 140 CZ ARG A 10 -20.546 13.917 -3.043 1.00 0.00 C ATOM 141 NH1 ARG A 10 -20.272 14.660 -2.007 1.00 0.00 N ATOM 142 NH2 ARG A 10 -21.532 13.064 -2.992 1.00 0.00 N ATOM 0 H ARG A 10 -14.655 14.877 -6.314 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.054 16.801 -4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -17.565 15.797 -6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.497 14.327 -5.569 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -18.232 15.779 -3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -18.583 17.045 -4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -20.679 15.933 -4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -19.943 15.112 -5.971 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.272 13.238 -4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -19.501 15.327 -2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -20.829 14.575 -1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -21.746 12.483 -3.802 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -22.089 12.978 -2.142 1.00 0.00 H new ATOM 156 N GLY A 11 -14.279 14.792 -3.670 1.00 0.00 N ATOM 157 CA GLY A 11 -13.736 13.856 -2.642 1.00 0.00 C ATOM 158 C GLY A 11 -13.253 12.573 -3.322 1.00 0.00 C ATOM 159 O GLY A 11 -13.344 12.429 -4.527 1.00 0.00 O ATOM 0 H GLY A 11 -13.582 15.374 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.913 14.327 -2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.505 13.622 -1.906 1.00 0.00 H new ATOM 163 N LYS A 12 -12.743 11.643 -2.556 1.00 0.00 N ATOM 164 CA LYS A 12 -12.251 10.363 -3.150 1.00 0.00 C ATOM 165 C LYS A 12 -13.345 9.295 -3.081 1.00 0.00 C ATOM 166 O LYS A 12 -14.489 9.586 -2.782 1.00 0.00 O ATOM 167 CB LYS A 12 -11.054 9.960 -2.288 1.00 0.00 C ATOM 168 CG LYS A 12 -9.863 10.865 -2.613 1.00 0.00 C ATOM 169 CD LYS A 12 -8.860 10.825 -1.458 1.00 0.00 C ATOM 170 CE LYS A 12 -9.302 11.797 -0.363 1.00 0.00 C ATOM 171 NZ LYS A 12 -8.063 12.100 0.406 1.00 0.00 N ATOM 0 H LYS A 12 -12.646 11.715 -1.543 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.978 10.472 -4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.309 10.042 -1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.794 8.918 -2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.384 10.536 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.204 11.887 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.793 9.814 -1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.866 11.092 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.733 12.703 -0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.064 11.351 0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.286 12.762 1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.679 11.220 0.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.358 12.529 -0.227 1.00 0.00 H new ATOM 185 N MET A 13 -13.002 8.063 -3.356 1.00 0.00 N ATOM 186 CA MET A 13 -14.016 6.968 -3.310 1.00 0.00 C ATOM 187 C MET A 13 -13.490 5.796 -2.476 1.00 0.00 C ATOM 188 O MET A 13 -12.486 5.909 -1.800 1.00 0.00 O ATOM 189 CB MET A 13 -14.211 6.546 -4.766 1.00 0.00 C ATOM 190 CG MET A 13 -15.245 7.461 -5.427 1.00 0.00 C ATOM 191 SD MET A 13 -14.422 8.940 -6.067 1.00 0.00 S ATOM 192 CE MET A 13 -15.706 10.130 -5.607 1.00 0.00 C ATOM 0 H MET A 13 -12.060 7.768 -3.611 1.00 0.00 H new ATOM 0 HA MET A 13 -14.951 7.290 -2.851 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.264 6.602 -5.302 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.543 5.509 -4.814 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.748 6.933 -6.237 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.012 7.742 -4.705 1.00 0.00 H new ATOM 0 HE1 MET A 13 -16.015 10.691 -6.489 1.00 0.00 H new ATOM 0 HE2 MET A 13 -16.564 9.598 -5.196 1.00 0.00 H new ATOM 0 HE3 MET A 13 -15.313 10.818 -4.858 1.00 0.00 H new ATOM 202 N SER A 14 -14.164 4.675 -2.522 1.00 0.00 N ATOM 203 CA SER A 14 -13.711 3.490 -1.735 1.00 0.00 C ATOM 204 C SER A 14 -14.133 2.198 -2.439 1.00 0.00 C ATOM 205 O SER A 14 -14.914 2.216 -3.371 1.00 0.00 O ATOM 206 CB SER A 14 -14.416 3.622 -0.385 1.00 0.00 C ATOM 207 OG SER A 14 -14.377 2.371 0.289 1.00 0.00 O ATOM 0 H SER A 14 -15.010 4.530 -3.072 1.00 0.00 H new ATOM 0 HA SER A 14 -12.627 3.452 -1.627 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.930 4.389 0.219 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.449 3.938 -0.530 1.00 0.00 H new ATOM 0 HG SER A 14 -14.827 2.452 1.156 1.00 0.00 H new ATOM 213 N SER A 15 -13.618 1.077 -1.997 1.00 0.00 N ATOM 214 CA SER A 15 -13.984 -0.224 -2.637 1.00 0.00 C ATOM 215 C SER A 15 -15.438 -0.582 -2.315 1.00 0.00 C ATOM 216 O SER A 15 -16.101 -1.262 -3.077 1.00 0.00 O ATOM 217 CB SER A 15 -13.033 -1.254 -2.029 1.00 0.00 C ATOM 218 OG SER A 15 -13.186 -1.259 -0.616 1.00 0.00 O ATOM 0 H SER A 15 -12.960 1.007 -1.221 1.00 0.00 H new ATOM 0 HA SER A 15 -13.898 -0.184 -3.723 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.245 -2.244 -2.433 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.003 -1.016 -2.294 1.00 0.00 H new ATOM 0 HG SER A 15 -12.578 -1.920 -0.223 1.00 0.00 H new ATOM 224 N TYR A 16 -15.936 -0.129 -1.192 1.00 0.00 N ATOM 225 CA TYR A 16 -17.350 -0.441 -0.814 1.00 0.00 C ATOM 226 C TYR A 16 -18.320 0.334 -1.710 1.00 0.00 C ATOM 227 O TYR A 16 -19.424 -0.105 -1.968 1.00 0.00 O ATOM 228 CB TYR A 16 -17.489 0.010 0.641 1.00 0.00 C ATOM 229 CG TYR A 16 -18.520 -0.845 1.338 1.00 0.00 C ATOM 230 CD1 TYR A 16 -19.875 -0.715 1.007 1.00 0.00 C ATOM 231 CD2 TYR A 16 -18.123 -1.768 2.312 1.00 0.00 C ATOM 232 CE1 TYR A 16 -20.831 -1.507 1.652 1.00 0.00 C ATOM 233 CE2 TYR A 16 -19.080 -2.561 2.956 1.00 0.00 C ATOM 234 CZ TYR A 16 -20.433 -2.431 2.627 1.00 0.00 C ATOM 235 OH TYR A 16 -21.376 -3.213 3.262 1.00 0.00 O ATOM 0 H TYR A 16 -15.425 0.444 -0.520 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.581 -1.500 -0.933 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.529 -0.071 1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.784 1.059 0.681 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.181 -0.004 0.254 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.078 -1.869 2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -21.876 -1.406 1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -18.773 -3.274 3.707 1.00 0.00 H new ATOM 0 HH TYR A 16 -20.932 -3.801 3.909 1.00 0.00 H new ATOM 245 N ALA A 17 -17.911 1.484 -2.185 1.00 0.00 N ATOM 246 CA ALA A 17 -18.804 2.296 -3.066 1.00 0.00 C ATOM 247 C ALA A 17 -18.792 1.734 -4.490 1.00 0.00 C ATOM 248 O ALA A 17 -19.805 1.707 -5.163 1.00 0.00 O ATOM 249 CB ALA A 17 -18.214 3.707 -3.042 1.00 0.00 C ATOM 0 H ALA A 17 -16.996 1.896 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.840 2.283 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.817 4.364 -3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.211 4.083 -2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.193 3.681 -3.422 1.00 0.00 H new ATOM 255 N PHE A 18 -17.653 1.281 -4.948 1.00 0.00 N ATOM 256 CA PHE A 18 -17.569 0.714 -6.330 1.00 0.00 C ATOM 257 C PHE A 18 -18.270 -0.647 -6.384 1.00 0.00 C ATOM 258 O PHE A 18 -18.780 -1.051 -7.412 1.00 0.00 O ATOM 259 CB PHE A 18 -16.072 0.556 -6.611 1.00 0.00 C ATOM 260 CG PHE A 18 -15.543 1.821 -7.244 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.941 2.175 -8.540 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.654 2.640 -6.536 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.449 3.348 -9.127 1.00 0.00 C ATOM 264 CE2 PHE A 18 -14.163 3.811 -7.124 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.560 4.166 -8.418 1.00 0.00 C ATOM 0 H PHE A 18 -16.777 1.279 -4.426 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.054 1.354 -7.067 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.537 0.349 -5.684 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.903 -0.293 -7.273 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.627 1.544 -9.086 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.348 2.368 -5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.755 3.622 -10.126 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.477 4.442 -6.578 1.00 0.00 H new ATOM 0 HZ PHE A 18 -14.181 5.071 -8.870 1.00 0.00 H new ATOM 275 N PHE A 19 -18.298 -1.353 -5.280 1.00 0.00 N ATOM 276 CA PHE A 19 -18.967 -2.691 -5.257 1.00 0.00 C ATOM 277 C PHE A 19 -20.456 -2.543 -5.585 1.00 0.00 C ATOM 278 O PHE A 19 -20.976 -3.210 -6.459 1.00 0.00 O ATOM 279 CB PHE A 19 -18.781 -3.208 -3.829 1.00 0.00 C ATOM 280 CG PHE A 19 -19.197 -4.658 -3.760 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.425 -5.639 -4.396 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.354 -5.022 -3.061 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.812 -6.983 -4.330 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.739 -6.365 -2.996 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.968 -7.347 -3.631 1.00 0.00 C ATOM 0 H PHE A 19 -17.886 -1.060 -4.394 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.545 -3.375 -5.994 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.739 -3.103 -3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.377 -2.614 -3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.533 -5.359 -4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.950 -4.265 -2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.217 -7.740 -4.819 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.631 -6.645 -2.456 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.266 -8.384 -3.581 1.00 0.00 H new ATOM 295 N VAL A 20 -21.141 -1.671 -4.889 1.00 0.00 N ATOM 296 CA VAL A 20 -22.600 -1.472 -5.157 1.00 0.00 C ATOM 297 C VAL A 20 -22.803 -0.922 -6.574 1.00 0.00 C ATOM 298 O VAL A 20 -23.823 -1.152 -7.195 1.00 0.00 O ATOM 299 CB VAL A 20 -23.069 -0.458 -4.104 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.556 -0.144 -4.304 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.861 -1.047 -2.707 1.00 0.00 C ATOM 0 H VAL A 20 -20.754 -1.088 -4.147 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.164 -2.403 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.491 0.460 -4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.880 0.576 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.709 0.276 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.138 -1.060 -4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.193 -0.330 -1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.438 -1.967 -2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.803 -1.265 -2.558 1.00 0.00 H new ATOM 311 N GLN A 21 -21.837 -0.201 -7.086 1.00 0.00 N ATOM 312 CA GLN A 21 -21.968 0.364 -8.464 1.00 0.00 C ATOM 313 C GLN A 21 -21.791 -0.741 -9.507 1.00 0.00 C ATOM 314 O GLN A 21 -22.611 -0.908 -10.392 1.00 0.00 O ATOM 315 CB GLN A 21 -20.846 1.399 -8.584 1.00 0.00 C ATOM 316 CG GLN A 21 -21.105 2.294 -9.797 1.00 0.00 C ATOM 317 CD GLN A 21 -20.546 1.625 -11.055 1.00 0.00 C ATOM 318 OE1 GLN A 21 -19.349 1.581 -11.253 1.00 0.00 O ATOM 319 NE2 GLN A 21 -21.370 1.096 -11.919 1.00 0.00 N ATOM 0 H GLN A 21 -20.963 0.021 -6.609 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.949 0.809 -8.633 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.795 2.002 -7.678 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.884 0.898 -8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -22.175 2.470 -9.911 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.636 3.267 -9.651 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -22.376 1.133 -11.753 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -21.008 0.646 -12.760 1.00 0.00 H new ATOM 328 N THR A 22 -20.727 -1.497 -9.409 1.00 0.00 N ATOM 329 CA THR A 22 -20.489 -2.598 -10.392 1.00 0.00 C ATOM 330 C THR A 22 -21.611 -3.636 -10.303 1.00 0.00 C ATOM 331 O THR A 22 -21.930 -4.300 -11.272 1.00 0.00 O ATOM 332 CB THR A 22 -19.151 -3.222 -9.987 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.177 -2.196 -9.849 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.702 -4.214 -11.062 1.00 0.00 C ATOM 0 H THR A 22 -20.011 -1.399 -8.689 1.00 0.00 H new ATOM 0 HA THR A 22 -20.470 -2.232 -11.419 1.00 0.00 H new ATOM 0 HB THR A 22 -19.265 -3.747 -9.038 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.222 -1.822 -8.944 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.749 -4.658 -10.773 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.451 -4.999 -11.168 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.586 -3.693 -12.012 1.00 0.00 H new ATOM 342 N SER A 23 -22.210 -3.778 -9.149 1.00 0.00 N ATOM 343 CA SER A 23 -23.315 -4.770 -8.987 1.00 0.00 C ATOM 344 C SER A 23 -24.627 -4.191 -9.523 1.00 0.00 C ATOM 345 O SER A 23 -25.494 -4.916 -9.976 1.00 0.00 O ATOM 346 CB SER A 23 -23.410 -5.018 -7.483 1.00 0.00 C ATOM 347 OG SER A 23 -22.128 -5.376 -6.983 1.00 0.00 O ATOM 0 H SER A 23 -21.981 -3.248 -8.309 1.00 0.00 H new ATOM 0 HA SER A 23 -23.127 -5.691 -9.538 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.773 -4.123 -6.978 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.127 -5.813 -7.279 1.00 0.00 H new ATOM 0 HG SER A 23 -21.768 -4.639 -6.447 1.00 0.00 H new ATOM 353 N ARG A 24 -24.776 -2.891 -9.475 1.00 0.00 N ATOM 354 CA ARG A 24 -26.033 -2.258 -9.982 1.00 0.00 C ATOM 355 C ARG A 24 -26.187 -2.522 -11.483 1.00 0.00 C ATOM 356 O ARG A 24 -27.227 -2.958 -11.940 1.00 0.00 O ATOM 357 CB ARG A 24 -25.868 -0.759 -9.718 1.00 0.00 C ATOM 358 CG ARG A 24 -27.237 -0.137 -9.438 1.00 0.00 C ATOM 359 CD ARG A 24 -28.034 -0.049 -10.741 1.00 0.00 C ATOM 360 NE ARG A 24 -29.308 0.624 -10.368 1.00 0.00 N ATOM 361 CZ ARG A 24 -29.839 1.508 -11.168 1.00 0.00 C ATOM 362 NH1 ARG A 24 -29.117 2.499 -11.614 1.00 0.00 N ATOM 363 NH2 ARG A 24 -31.090 1.402 -11.521 1.00 0.00 N ATOM 0 H ARG A 24 -24.082 -2.240 -9.107 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.920 -2.659 -9.492 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.204 -0.599 -8.869 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.406 -0.276 -10.579 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -27.779 -0.738 -8.708 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.115 0.856 -9.006 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -27.493 0.521 -11.497 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -28.218 -1.039 -11.159 1.00 0.00 H new ATOM 0 HE ARG A 24 -29.767 0.394 -9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -28.139 2.582 -11.337 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -29.531 3.191 -12.239 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -31.655 0.628 -11.172 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -31.504 2.094 -12.146 1.00 0.00 H new ATOM 377 N GLU A 25 -25.157 -2.262 -12.248 1.00 0.00 N ATOM 378 CA GLU A 25 -25.234 -2.499 -13.723 1.00 0.00 C ATOM 379 C GLU A 25 -25.488 -3.982 -14.004 1.00 0.00 C ATOM 380 O GLU A 25 -26.232 -4.335 -14.899 1.00 0.00 O ATOM 381 CB GLU A 25 -23.870 -2.075 -14.273 1.00 0.00 C ATOM 382 CG GLU A 25 -24.055 -1.406 -15.637 1.00 0.00 C ATOM 383 CD GLU A 25 -22.717 -0.834 -16.110 1.00 0.00 C ATOM 384 OE1 GLU A 25 -21.860 -1.617 -16.486 1.00 0.00 O ATOM 385 OE2 GLU A 25 -22.573 0.377 -16.089 1.00 0.00 O ATOM 0 H GLU A 25 -24.265 -1.896 -11.915 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.047 -1.941 -14.187 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.385 -1.386 -13.581 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.218 -2.943 -14.367 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.430 -2.129 -16.361 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -24.798 -0.611 -15.567 1.00 0.00 H new ATOM 392 N GLU A 26 -24.876 -4.849 -13.238 1.00 0.00 N ATOM 393 CA GLU A 26 -25.079 -6.316 -13.447 1.00 0.00 C ATOM 394 C GLU A 26 -26.493 -6.737 -13.019 1.00 0.00 C ATOM 395 O GLU A 26 -26.946 -7.818 -13.345 1.00 0.00 O ATOM 396 CB GLU A 26 -24.029 -6.995 -12.565 1.00 0.00 C ATOM 397 CG GLU A 26 -24.032 -8.501 -12.834 1.00 0.00 C ATOM 398 CD GLU A 26 -23.474 -8.770 -14.233 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.278 -8.605 -14.414 1.00 0.00 O ATOM 400 OE2 GLU A 26 -24.250 -9.138 -15.098 1.00 0.00 O ATOM 0 H GLU A 26 -24.244 -4.605 -12.476 1.00 0.00 H new ATOM 0 HA GLU A 26 -24.975 -6.593 -14.496 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.042 -6.580 -12.771 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.242 -6.802 -11.514 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -23.430 -9.016 -12.085 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -25.046 -8.894 -12.753 1.00 0.00 H new ATOM 407 N HIS A 27 -27.192 -5.894 -12.293 1.00 0.00 N ATOM 408 CA HIS A 27 -28.574 -6.250 -11.846 1.00 0.00 C ATOM 409 C HIS A 27 -29.616 -5.702 -12.831 1.00 0.00 C ATOM 410 O HIS A 27 -30.760 -5.489 -12.477 1.00 0.00 O ATOM 411 CB HIS A 27 -28.725 -5.577 -10.479 1.00 0.00 C ATOM 412 CG HIS A 27 -29.974 -6.076 -9.805 1.00 0.00 C ATOM 413 ND1 HIS A 27 -31.261 -5.598 -9.790 1.00 0.00 N flip ATOM 414 CD2 HIS A 27 -29.984 -7.216 -9.017 1.00 0.00 C flip ATOM 415 CE1 HIS A 27 -32.059 -6.426 -9.006 1.00 0.00 C flip ATOM 416 NE2 HIS A 27 -31.240 -7.385 -8.565 1.00 0.00 N flip ATOM 0 H HIS A 27 -26.863 -4.976 -11.992 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.727 -7.328 -11.796 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.855 -5.792 -9.859 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.772 -4.495 -10.599 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -29.138 -7.853 -8.804 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -33.113 -6.317 -8.799 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -31.531 -8.152 -7.959 1.00 0.00 H new ATOM 424 N LYS A 28 -29.231 -5.474 -14.063 1.00 0.00 N ATOM 425 CA LYS A 28 -30.200 -4.940 -15.067 1.00 0.00 C ATOM 426 C LYS A 28 -30.378 -5.938 -16.216 1.00 0.00 C ATOM 427 O LYS A 28 -31.460 -6.090 -16.751 1.00 0.00 O ATOM 428 CB LYS A 28 -29.569 -3.644 -15.577 1.00 0.00 C ATOM 429 CG LYS A 28 -30.585 -2.882 -16.431 1.00 0.00 C ATOM 430 CD LYS A 28 -29.850 -1.901 -17.345 1.00 0.00 C ATOM 431 CE LYS A 28 -29.390 -0.690 -16.530 1.00 0.00 C ATOM 432 NZ LYS A 28 -28.823 0.254 -17.533 1.00 0.00 N ATOM 0 H LYS A 28 -28.287 -5.635 -14.416 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.187 -4.772 -14.637 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -29.250 -3.028 -14.737 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -28.679 -3.867 -16.165 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -31.172 -3.581 -17.027 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -31.284 -2.344 -15.790 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -28.992 -2.390 -17.806 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -30.506 -1.580 -18.154 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -30.222 -0.239 -15.989 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -28.643 -0.974 -15.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -28.485 1.111 -17.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -28.029 -0.201 -18.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -29.558 0.511 -18.222 1.00 0.00 H new ATOM 446 N LYS A 29 -29.324 -6.616 -16.594 1.00 0.00 N ATOM 447 CA LYS A 29 -29.426 -7.608 -17.709 1.00 0.00 C ATOM 448 C LYS A 29 -30.253 -8.818 -17.267 1.00 0.00 C ATOM 449 O LYS A 29 -31.009 -9.378 -18.038 1.00 0.00 O ATOM 450 CB LYS A 29 -27.985 -8.025 -18.011 1.00 0.00 C ATOM 451 CG LYS A 29 -27.304 -6.942 -18.849 1.00 0.00 C ATOM 452 CD LYS A 29 -26.616 -5.937 -17.924 1.00 0.00 C ATOM 453 CE LYS A 29 -25.684 -5.041 -18.744 1.00 0.00 C ATOM 454 NZ LYS A 29 -25.083 -4.105 -17.754 1.00 0.00 N ATOM 0 H LYS A 29 -28.397 -6.526 -16.179 1.00 0.00 H new ATOM 0 HA LYS A 29 -29.918 -7.189 -18.586 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -27.437 -8.178 -17.081 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -27.975 -8.974 -18.547 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -26.574 -7.393 -19.521 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.040 -6.434 -19.473 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -27.362 -5.330 -17.410 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.049 -6.463 -17.156 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -24.917 -5.627 -19.250 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -26.233 -4.501 -19.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -25.223 -3.125 -18.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -25.541 -4.236 -16.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.065 -4.299 -17.667 1.00 0.00 H new ATOM 468 N LYS A 30 -30.112 -9.223 -16.030 1.00 0.00 N ATOM 469 CA LYS A 30 -30.890 -10.399 -15.528 1.00 0.00 C ATOM 470 C LYS A 30 -32.163 -9.946 -14.799 1.00 0.00 C ATOM 471 O LYS A 30 -32.793 -10.725 -14.108 1.00 0.00 O ATOM 472 CB LYS A 30 -29.946 -11.137 -14.569 1.00 0.00 C ATOM 473 CG LYS A 30 -29.498 -10.203 -13.442 1.00 0.00 C ATOM 474 CD LYS A 30 -29.270 -11.016 -12.166 1.00 0.00 C ATOM 475 CE LYS A 30 -28.621 -10.130 -11.102 1.00 0.00 C ATOM 476 NZ LYS A 30 -28.653 -10.940 -9.854 1.00 0.00 N ATOM 0 H LYS A 30 -29.492 -8.791 -15.345 1.00 0.00 H new ATOM 0 HA LYS A 30 -31.217 -11.041 -16.346 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -30.450 -12.008 -14.150 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -29.076 -11.504 -15.114 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -28.581 -9.687 -13.726 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.254 -9.437 -13.268 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -30.218 -11.408 -11.798 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.632 -11.874 -12.378 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -27.599 -9.868 -11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -29.168 -9.195 -10.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -28.025 -10.511 -9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -29.624 -10.969 -9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -28.332 -11.908 -10.060 1.00 0.00 H new ATOM 490 N HIS A 31 -32.556 -8.703 -14.956 1.00 0.00 N ATOM 491 CA HIS A 31 -33.795 -8.210 -14.281 1.00 0.00 C ATOM 492 C HIS A 31 -34.520 -7.202 -15.187 1.00 0.00 C ATOM 493 O HIS A 31 -34.269 -6.016 -15.105 1.00 0.00 O ATOM 494 CB HIS A 31 -33.312 -7.532 -12.998 1.00 0.00 C ATOM 495 CG HIS A 31 -32.748 -8.569 -12.067 1.00 0.00 C ATOM 496 ND1 HIS A 31 -33.406 -9.758 -11.801 1.00 0.00 N ATOM 497 CD2 HIS A 31 -31.583 -8.616 -11.344 1.00 0.00 C ATOM 498 CE1 HIS A 31 -32.639 -10.464 -10.953 1.00 0.00 C ATOM 499 NE2 HIS A 31 -31.516 -9.814 -10.641 1.00 0.00 N ATOM 0 H HIS A 31 -32.070 -8.009 -15.524 1.00 0.00 H new ATOM 0 HA HIS A 31 -34.499 -9.015 -14.070 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.553 -6.786 -13.232 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.138 -7.007 -12.518 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -34.308 -10.046 -12.180 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -30.832 -7.840 -11.324 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -32.900 -11.440 -10.570 1.00 0.00 H new ATOM 507 N PRO A 32 -35.400 -7.700 -16.032 1.00 0.00 N ATOM 508 CA PRO A 32 -36.147 -6.806 -16.952 1.00 0.00 C ATOM 509 C PRO A 32 -37.196 -5.995 -16.185 1.00 0.00 C ATOM 510 O PRO A 32 -37.502 -4.872 -16.539 1.00 0.00 O ATOM 511 CB PRO A 32 -36.816 -7.771 -17.929 1.00 0.00 C ATOM 512 CG PRO A 32 -36.929 -9.062 -17.185 1.00 0.00 C ATOM 513 CD PRO A 32 -35.780 -9.113 -16.212 1.00 0.00 C ATOM 0 HA PRO A 32 -35.506 -6.078 -17.449 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -37.796 -7.405 -18.235 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -36.222 -7.889 -18.835 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -37.882 -9.122 -16.659 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -36.890 -9.907 -17.872 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -36.077 -9.570 -15.268 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -34.951 -9.702 -16.604 1.00 0.00 H new ATOM 521 N ASP A 33 -37.749 -6.558 -15.140 1.00 0.00 N ATOM 522 CA ASP A 33 -38.781 -5.825 -14.348 1.00 0.00 C ATOM 523 C ASP A 33 -38.655 -6.171 -12.862 1.00 0.00 C ATOM 524 O ASP A 33 -39.351 -7.032 -12.355 1.00 0.00 O ATOM 525 CB ASP A 33 -40.122 -6.311 -14.899 1.00 0.00 C ATOM 526 CG ASP A 33 -41.217 -5.307 -14.536 1.00 0.00 C ATOM 527 OD1 ASP A 33 -41.247 -4.248 -15.140 1.00 0.00 O ATOM 528 OD2 ASP A 33 -42.009 -5.616 -13.660 1.00 0.00 O ATOM 0 H ASP A 33 -37.529 -7.495 -14.802 1.00 0.00 H new ATOM 0 HA ASP A 33 -38.673 -4.744 -14.431 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.063 -6.425 -15.981 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.362 -7.292 -14.488 1.00 0.00 H new ATOM 533 N SER A 34 -37.772 -5.504 -12.163 1.00 0.00 N ATOM 534 CA SER A 34 -37.594 -5.786 -10.707 1.00 0.00 C ATOM 535 C SER A 34 -37.043 -4.548 -9.994 1.00 0.00 C ATOM 536 O SER A 34 -36.073 -3.953 -10.426 1.00 0.00 O ATOM 537 CB SER A 34 -36.586 -6.933 -10.646 1.00 0.00 C ATOM 538 OG SER A 34 -36.782 -7.665 -9.444 1.00 0.00 O ATOM 0 H SER A 34 -37.166 -4.775 -12.539 1.00 0.00 H new ATOM 0 HA SER A 34 -38.533 -6.043 -10.217 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.710 -7.588 -11.509 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.569 -6.542 -10.686 1.00 0.00 H new ATOM 0 HG SER A 34 -36.138 -8.403 -9.402 1.00 0.00 H new ATOM 544 N SER A 35 -37.654 -4.161 -8.902 1.00 0.00 N ATOM 545 CA SER A 35 -37.171 -2.965 -8.151 1.00 0.00 C ATOM 546 C SER A 35 -35.920 -3.324 -7.345 1.00 0.00 C ATOM 547 O SER A 35 -35.735 -4.459 -6.949 1.00 0.00 O ATOM 548 CB SER A 35 -38.320 -2.586 -7.216 1.00 0.00 C ATOM 549 OG SER A 35 -38.102 -1.276 -6.711 1.00 0.00 O ATOM 0 H SER A 35 -38.468 -4.624 -8.499 1.00 0.00 H new ATOM 0 HA SER A 35 -36.902 -2.142 -8.814 1.00 0.00 H new ATOM 0 HB2 SER A 35 -39.269 -2.629 -7.751 1.00 0.00 H new ATOM 0 HB3 SER A 35 -38.385 -3.299 -6.394 1.00 0.00 H new ATOM 0 HG SER A 35 -38.838 -1.029 -6.113 1.00 0.00 H new ATOM 555 N VAL A 36 -35.061 -2.365 -7.106 1.00 0.00 N ATOM 556 CA VAL A 36 -33.818 -2.650 -6.329 1.00 0.00 C ATOM 557 C VAL A 36 -33.196 -1.345 -5.817 1.00 0.00 C ATOM 558 O VAL A 36 -32.159 -0.914 -6.288 1.00 0.00 O ATOM 559 CB VAL A 36 -32.889 -3.362 -7.322 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.587 -2.447 -8.513 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.580 -3.733 -6.624 1.00 0.00 C ATOM 0 H VAL A 36 -35.167 -1.399 -7.415 1.00 0.00 H new ATOM 0 HA VAL A 36 -34.007 -3.262 -5.447 1.00 0.00 H new ATOM 0 HB VAL A 36 -33.383 -4.265 -7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.927 -2.963 -9.210 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -33.518 -2.188 -9.018 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -32.101 -1.538 -8.159 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.922 -4.238 -7.330 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -31.094 -2.829 -6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.790 -4.397 -5.785 1.00 0.00 H new ATOM 571 N ASN A 37 -33.820 -0.718 -4.849 1.00 0.00 N ATOM 572 CA ASN A 37 -33.265 0.559 -4.293 1.00 0.00 C ATOM 573 C ASN A 37 -31.862 0.314 -3.730 1.00 0.00 C ATOM 574 O ASN A 37 -31.276 -0.729 -3.956 1.00 0.00 O ATOM 575 CB ASN A 37 -34.227 0.965 -3.174 1.00 0.00 C ATOM 576 CG ASN A 37 -35.442 1.674 -3.775 1.00 0.00 C ATOM 577 OD1 ASN A 37 -35.784 1.453 -4.919 1.00 0.00 O ATOM 578 ND2 ASN A 37 -36.113 2.522 -3.046 1.00 0.00 N ATOM 0 H ASN A 37 -34.689 -1.034 -4.419 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.179 1.337 -5.052 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.546 0.084 -2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -33.722 1.623 -2.467 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -36.925 3.000 -3.437 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -35.826 2.708 -2.085 1.00 0.00 H new ATOM 585 N PHE A 38 -31.319 1.259 -3.001 1.00 0.00 N ATOM 586 CA PHE A 38 -29.952 1.061 -2.431 1.00 0.00 C ATOM 587 C PHE A 38 -30.022 0.167 -1.197 1.00 0.00 C ATOM 588 O PHE A 38 -29.183 -0.675 -1.005 1.00 0.00 O ATOM 589 CB PHE A 38 -29.437 2.447 -2.042 1.00 0.00 C ATOM 590 CG PHE A 38 -29.421 3.344 -3.257 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.393 3.221 -4.198 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.431 4.295 -3.443 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.372 4.048 -5.325 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.411 5.124 -4.572 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.381 4.999 -5.513 1.00 0.00 C ATOM 0 H PHE A 38 -31.760 2.151 -2.778 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.291 0.581 -3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.073 2.878 -1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.434 2.368 -1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.615 2.486 -4.054 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.225 4.390 -2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.577 3.953 -6.050 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.189 5.859 -4.717 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.366 5.637 -6.384 1.00 0.00 H new ATOM 605 N ALA A 39 -31.009 0.346 -0.357 1.00 0.00 N ATOM 606 CA ALA A 39 -31.104 -0.506 0.869 1.00 0.00 C ATOM 607 C ALA A 39 -31.528 -1.922 0.503 1.00 0.00 C ATOM 608 O ALA A 39 -30.941 -2.884 0.963 1.00 0.00 O ATOM 609 CB ALA A 39 -32.151 0.168 1.758 1.00 0.00 C ATOM 0 H ALA A 39 -31.749 1.040 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.145 -0.591 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.272 -0.406 2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.825 1.179 2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.103 0.211 1.230 1.00 0.00 H new ATOM 615 N GLU A 40 -32.523 -2.065 -0.330 1.00 0.00 N ATOM 616 CA GLU A 40 -32.958 -3.434 -0.736 1.00 0.00 C ATOM 617 C GLU A 40 -31.805 -4.161 -1.442 1.00 0.00 C ATOM 618 O GLU A 40 -31.815 -5.371 -1.571 1.00 0.00 O ATOM 619 CB GLU A 40 -34.132 -3.221 -1.694 1.00 0.00 C ATOM 620 CG GLU A 40 -35.315 -2.628 -0.927 1.00 0.00 C ATOM 621 CD GLU A 40 -35.887 -3.679 0.025 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.542 -4.591 -0.454 1.00 0.00 O ATOM 623 OE2 GLU A 40 -35.661 -3.556 1.218 1.00 0.00 O ATOM 0 H GLU A 40 -33.052 -1.298 -0.746 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.247 -4.046 0.119 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.838 -2.553 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.419 -4.168 -2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -34.994 -1.750 -0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -36.085 -2.297 -1.624 1.00 0.00 H new ATOM 630 N PHE A 41 -30.810 -3.432 -1.902 1.00 0.00 N ATOM 631 CA PHE A 41 -29.664 -4.081 -2.597 1.00 0.00 C ATOM 632 C PHE A 41 -28.409 -4.060 -1.718 1.00 0.00 C ATOM 633 O PHE A 41 -27.747 -5.066 -1.545 1.00 0.00 O ATOM 634 CB PHE A 41 -29.456 -3.250 -3.864 1.00 0.00 C ATOM 635 CG PHE A 41 -28.519 -3.975 -4.798 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.823 -5.272 -5.228 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.347 -3.349 -5.235 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.953 -5.942 -6.095 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.477 -4.019 -6.103 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.782 -5.316 -6.533 1.00 0.00 C ATOM 0 H PHE A 41 -30.749 -2.417 -1.823 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.860 -5.130 -2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.412 -3.074 -4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -29.046 -2.273 -3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.728 -5.755 -4.891 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -27.113 -2.348 -4.903 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.186 -6.943 -6.426 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.572 -3.536 -6.441 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.112 -5.833 -7.204 1.00 0.00 H new ATOM 650 N SER A 42 -28.083 -2.925 -1.157 1.00 0.00 N ATOM 651 CA SER A 42 -26.873 -2.820 -0.278 1.00 0.00 C ATOM 652 C SER A 42 -26.923 -3.884 0.828 1.00 0.00 C ATOM 653 O SER A 42 -25.903 -4.293 1.351 1.00 0.00 O ATOM 654 CB SER A 42 -26.938 -1.411 0.320 1.00 0.00 C ATOM 655 OG SER A 42 -28.062 -1.318 1.184 1.00 0.00 O ATOM 0 H SER A 42 -28.606 -2.057 -1.269 1.00 0.00 H new ATOM 0 HA SER A 42 -25.947 -2.985 -0.829 1.00 0.00 H new ATOM 0 HB2 SER A 42 -26.023 -1.195 0.871 1.00 0.00 H new ATOM 0 HB3 SER A 42 -27.014 -0.669 -0.475 1.00 0.00 H new ATOM 0 HG SER A 42 -28.018 -0.479 1.689 1.00 0.00 H new ATOM 661 N LYS A 43 -28.102 -4.342 1.174 1.00 0.00 N ATOM 662 CA LYS A 43 -28.221 -5.391 2.232 1.00 0.00 C ATOM 663 C LYS A 43 -27.640 -6.709 1.711 1.00 0.00 C ATOM 664 O LYS A 43 -27.117 -7.509 2.462 1.00 0.00 O ATOM 665 CB LYS A 43 -29.726 -5.533 2.500 1.00 0.00 C ATOM 666 CG LYS A 43 -29.984 -5.521 4.010 1.00 0.00 C ATOM 667 CD LYS A 43 -29.976 -4.076 4.525 1.00 0.00 C ATOM 668 CE LYS A 43 -31.415 -3.590 4.720 1.00 0.00 C ATOM 669 NZ LYS A 43 -31.806 -3.008 3.405 1.00 0.00 N ATOM 0 H LYS A 43 -28.986 -4.034 0.769 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.679 -5.130 3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.269 -4.718 2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -30.097 -6.461 2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -30.944 -5.990 4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.220 -6.105 4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -29.432 -4.019 5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -29.457 -3.430 3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -32.075 -4.411 5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -31.476 -2.847 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -32.209 -2.061 3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -30.968 -2.937 2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -32.514 -3.620 2.951 1.00 0.00 H new ATOM 683 N LYS A 44 -27.732 -6.933 0.423 1.00 0.00 N ATOM 684 CA LYS A 44 -27.189 -8.192 -0.167 1.00 0.00 C ATOM 685 C LYS A 44 -25.708 -8.017 -0.514 1.00 0.00 C ATOM 686 O LYS A 44 -24.894 -8.880 -0.243 1.00 0.00 O ATOM 687 CB LYS A 44 -28.010 -8.424 -1.433 1.00 0.00 C ATOM 688 CG LYS A 44 -27.924 -9.897 -1.831 1.00 0.00 C ATOM 689 CD LYS A 44 -28.805 -10.730 -0.898 1.00 0.00 C ATOM 690 CE LYS A 44 -30.234 -10.768 -1.444 1.00 0.00 C ATOM 691 NZ LYS A 44 -30.206 -11.794 -2.524 1.00 0.00 N ATOM 0 H LYS A 44 -28.162 -6.294 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.258 -9.033 0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.049 -8.142 -1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.638 -7.795 -2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.247 -10.025 -2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -26.891 -10.240 -1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -28.409 -11.742 -0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -28.799 -10.302 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -30.948 -11.035 -0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -30.535 -9.795 -1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -30.695 -11.426 -3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -29.219 -12.016 -2.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -30.684 -12.657 -2.195 1.00 0.00 H new ATOM 705 N CYS A 45 -25.355 -6.904 -1.110 1.00 0.00 N ATOM 706 CA CYS A 45 -23.924 -6.667 -1.475 1.00 0.00 C ATOM 707 C CYS A 45 -23.053 -6.673 -0.215 1.00 0.00 C ATOM 708 O CYS A 45 -21.888 -7.021 -0.259 1.00 0.00 O ATOM 709 CB CYS A 45 -23.894 -5.292 -2.147 1.00 0.00 C ATOM 710 SG CYS A 45 -24.618 -5.413 -3.801 1.00 0.00 S ATOM 0 H CYS A 45 -25.996 -6.150 -1.359 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.536 -7.442 -2.136 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.449 -4.570 -1.547 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.868 -4.930 -2.213 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.436 -4.421 -3.990 1.00 0.00 H new ATOM 716 N SER A 46 -23.615 -6.300 0.908 1.00 0.00 N ATOM 717 CA SER A 46 -22.827 -6.291 2.178 1.00 0.00 C ATOM 718 C SER A 46 -22.536 -7.727 2.616 1.00 0.00 C ATOM 719 O SER A 46 -21.477 -8.023 3.139 1.00 0.00 O ATOM 720 CB SER A 46 -23.719 -5.588 3.202 1.00 0.00 C ATOM 721 OG SER A 46 -24.892 -6.363 3.413 1.00 0.00 O ATOM 0 H SER A 46 -24.586 -6.001 1.000 1.00 0.00 H new ATOM 0 HA SER A 46 -21.868 -5.785 2.067 1.00 0.00 H new ATOM 0 HB2 SER A 46 -23.181 -5.458 4.141 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.986 -4.593 2.847 1.00 0.00 H new ATOM 0 HG SER A 46 -25.466 -5.916 4.070 1.00 0.00 H new ATOM 727 N GLU A 47 -23.467 -8.622 2.398 1.00 0.00 N ATOM 728 CA GLU A 47 -23.250 -10.046 2.791 1.00 0.00 C ATOM 729 C GLU A 47 -22.198 -10.680 1.876 1.00 0.00 C ATOM 730 O GLU A 47 -21.417 -11.512 2.297 1.00 0.00 O ATOM 731 CB GLU A 47 -24.606 -10.730 2.605 1.00 0.00 C ATOM 732 CG GLU A 47 -25.449 -10.540 3.867 1.00 0.00 C ATOM 733 CD GLU A 47 -24.942 -11.474 4.967 1.00 0.00 C ATOM 734 OE1 GLU A 47 -24.051 -11.068 5.696 1.00 0.00 O ATOM 735 OE2 GLU A 47 -25.452 -12.578 5.062 1.00 0.00 O ATOM 0 H GLU A 47 -24.369 -8.426 1.964 1.00 0.00 H new ATOM 0 HA GLU A 47 -22.890 -10.143 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.123 -10.309 1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.465 -11.792 2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.393 -9.504 4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.497 -10.750 3.652 1.00 0.00 H new ATOM 742 N ARG A 48 -22.176 -10.284 0.629 1.00 0.00 N ATOM 743 CA ARG A 48 -21.176 -10.848 -0.324 1.00 0.00 C ATOM 744 C ARG A 48 -19.833 -10.133 -0.155 1.00 0.00 C ATOM 745 O ARG A 48 -18.793 -10.759 -0.079 1.00 0.00 O ATOM 746 CB ARG A 48 -21.754 -10.581 -1.714 1.00 0.00 C ATOM 747 CG ARG A 48 -21.164 -11.577 -2.715 1.00 0.00 C ATOM 748 CD ARG A 48 -22.024 -11.598 -3.981 1.00 0.00 C ATOM 749 NE ARG A 48 -21.222 -12.362 -4.977 1.00 0.00 N ATOM 750 CZ ARG A 48 -21.215 -11.994 -6.229 1.00 0.00 C ATOM 751 NH1 ARG A 48 -20.638 -10.877 -6.577 1.00 0.00 N ATOM 752 NH2 ARG A 48 -21.786 -12.743 -7.132 1.00 0.00 N ATOM 0 H ARG A 48 -22.810 -9.592 0.230 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.998 -11.910 -0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.840 -10.673 -1.691 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.527 -9.561 -2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.140 -11.297 -2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -21.124 -12.573 -2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -22.986 -12.077 -3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -22.233 -10.588 -4.333 1.00 0.00 H new ATOM 0 HE ARG A 48 -20.678 -13.173 -4.680 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.192 -10.291 -5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.632 -10.589 -7.556 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -22.238 -13.616 -6.859 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.781 -12.456 -8.111 1.00 0.00 H new ATOM 766 N TRP A 49 -19.854 -8.825 -0.087 1.00 0.00 N ATOM 767 CA TRP A 49 -18.580 -8.058 0.087 1.00 0.00 C ATOM 768 C TRP A 49 -17.912 -8.449 1.408 1.00 0.00 C ATOM 769 O TRP A 49 -16.702 -8.433 1.531 1.00 0.00 O ATOM 770 CB TRP A 49 -18.999 -6.583 0.107 1.00 0.00 C ATOM 771 CG TRP A 49 -17.790 -5.713 0.245 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.495 -4.962 1.330 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.711 -5.494 -0.711 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.305 -4.295 1.103 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.783 -4.591 -0.141 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.450 -5.987 -2.002 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.637 -4.189 -0.828 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.298 -5.584 -2.697 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.393 -4.688 -2.110 1.00 0.00 C ATOM 0 H TRP A 49 -20.698 -8.255 -0.144 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.861 -8.261 -0.707 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.534 -6.335 -0.810 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.685 -6.402 0.935 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.092 -4.894 2.228 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.867 -3.662 1.772 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.140 -6.680 -2.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.944 -3.497 -0.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.108 -5.966 -3.689 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.508 -4.384 -2.649 1.00 0.00 H new ATOM 790 N LYS A 50 -18.697 -8.802 2.394 1.00 0.00 N ATOM 791 CA LYS A 50 -18.120 -9.199 3.714 1.00 0.00 C ATOM 792 C LYS A 50 -17.573 -10.628 3.642 1.00 0.00 C ATOM 793 O LYS A 50 -16.649 -10.983 4.349 1.00 0.00 O ATOM 794 CB LYS A 50 -19.287 -9.119 4.698 1.00 0.00 C ATOM 795 CG LYS A 50 -19.502 -7.662 5.113 1.00 0.00 C ATOM 796 CD LYS A 50 -18.486 -7.284 6.193 1.00 0.00 C ATOM 797 CE LYS A 50 -18.788 -5.875 6.706 1.00 0.00 C ATOM 798 NZ LYS A 50 -17.779 -5.631 7.775 1.00 0.00 N ATOM 0 H LYS A 50 -19.715 -8.832 2.342 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.292 -8.557 4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.192 -9.515 4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.080 -9.732 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.391 -7.007 4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.516 -7.526 5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.530 -7.999 7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -17.475 -7.326 5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -18.704 -5.138 5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.803 -5.806 7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.921 -4.682 8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.888 -6.344 8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.823 -5.696 7.371 1.00 0.00 H new ATOM 812 N THR A 51 -18.138 -11.445 2.790 1.00 0.00 N ATOM 813 CA THR A 51 -17.659 -12.855 2.660 1.00 0.00 C ATOM 814 C THR A 51 -16.677 -12.992 1.486 1.00 0.00 C ATOM 815 O THR A 51 -15.964 -13.972 1.382 1.00 0.00 O ATOM 816 CB THR A 51 -18.922 -13.676 2.398 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.655 -13.089 1.333 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.785 -13.704 3.661 1.00 0.00 C ATOM 0 H THR A 51 -18.914 -11.195 2.176 1.00 0.00 H new ATOM 0 HA THR A 51 -17.126 -13.188 3.551 1.00 0.00 H new ATOM 0 HB THR A 51 -18.644 -14.695 2.128 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.517 -12.765 1.669 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.685 -14.289 3.474 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.221 -14.156 4.477 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.064 -12.686 3.934 1.00 0.00 H new ATOM 826 N MET A 52 -16.634 -12.021 0.601 1.00 0.00 N ATOM 827 CA MET A 52 -15.698 -12.101 -0.568 1.00 0.00 C ATOM 828 C MET A 52 -14.255 -12.297 -0.091 1.00 0.00 C ATOM 829 O MET A 52 -13.928 -12.026 1.050 1.00 0.00 O ATOM 830 CB MET A 52 -15.841 -10.758 -1.290 1.00 0.00 C ATOM 831 CG MET A 52 -17.043 -10.811 -2.241 1.00 0.00 C ATOM 832 SD MET A 52 -16.486 -11.241 -3.909 1.00 0.00 S ATOM 833 CE MET A 52 -16.286 -9.552 -4.525 1.00 0.00 C ATOM 0 H MET A 52 -17.206 -11.178 0.638 1.00 0.00 H new ATOM 0 HA MET A 52 -15.933 -12.944 -1.218 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.974 -9.956 -0.564 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.932 -10.535 -1.849 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.766 -11.547 -1.888 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.551 -9.847 -2.254 1.00 0.00 H new ATOM 0 HE1 MET A 52 -16.688 -9.483 -5.536 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.822 -8.861 -3.874 1.00 0.00 H new ATOM 0 HE3 MET A 52 -15.227 -9.292 -4.537 1.00 0.00 H new ATOM 843 N SER A 53 -13.393 -12.769 -0.957 1.00 0.00 N ATOM 844 CA SER A 53 -11.970 -12.989 -0.562 1.00 0.00 C ATOM 845 C SER A 53 -11.060 -11.978 -1.265 1.00 0.00 C ATOM 846 O SER A 53 -11.519 -11.125 -2.000 1.00 0.00 O ATOM 847 CB SER A 53 -11.647 -14.410 -1.023 1.00 0.00 C ATOM 848 OG SER A 53 -10.351 -14.769 -0.564 1.00 0.00 O ATOM 0 H SER A 53 -13.615 -13.012 -1.922 1.00 0.00 H new ATOM 0 HA SER A 53 -11.816 -12.861 0.509 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.389 -15.108 -0.635 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.690 -14.471 -2.110 1.00 0.00 H new ATOM 0 HG SER A 53 -10.141 -15.681 -0.856 1.00 0.00 H new ATOM 854 N ALA A 54 -9.775 -12.073 -1.040 1.00 0.00 N ATOM 855 CA ALA A 54 -8.820 -11.121 -1.690 1.00 0.00 C ATOM 856 C ALA A 54 -8.740 -11.378 -3.201 1.00 0.00 C ATOM 857 O ALA A 54 -8.300 -10.529 -3.954 1.00 0.00 O ATOM 858 CB ALA A 54 -7.467 -11.395 -1.030 1.00 0.00 C ATOM 0 H ALA A 54 -9.343 -12.770 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.135 -10.085 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.713 -10.733 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.542 -11.216 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.180 -12.432 -1.205 1.00 0.00 H new ATOM 864 N LYS A 55 -9.160 -12.537 -3.651 1.00 0.00 N ATOM 865 CA LYS A 55 -9.105 -12.838 -5.116 1.00 0.00 C ATOM 866 C LYS A 55 -10.147 -12.002 -5.860 1.00 0.00 C ATOM 867 O LYS A 55 -9.968 -11.652 -7.012 1.00 0.00 O ATOM 868 CB LYS A 55 -9.431 -14.329 -5.235 1.00 0.00 C ATOM 869 CG LYS A 55 -8.181 -15.153 -4.923 1.00 0.00 C ATOM 870 CD LYS A 55 -8.465 -16.632 -5.191 1.00 0.00 C ATOM 871 CE LYS A 55 -7.147 -17.409 -5.216 1.00 0.00 C ATOM 872 NZ LYS A 55 -7.481 -18.712 -5.858 1.00 0.00 N ATOM 0 H LYS A 55 -9.537 -13.285 -3.069 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.133 -12.602 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.234 -14.592 -4.546 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.786 -14.555 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.347 -14.815 -5.538 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.889 -15.011 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.121 -17.033 -4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.985 -16.747 -6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.384 -16.874 -5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.755 -17.554 -4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.626 -19.302 -5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.205 -19.201 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.845 -18.543 -6.817 1.00 0.00 H new ATOM 886 N GLU A 56 -11.232 -11.679 -5.206 1.00 0.00 N ATOM 887 CA GLU A 56 -12.296 -10.865 -5.860 1.00 0.00 C ATOM 888 C GLU A 56 -12.219 -9.414 -5.375 1.00 0.00 C ATOM 889 O GLU A 56 -12.326 -8.485 -6.154 1.00 0.00 O ATOM 890 CB GLU A 56 -13.608 -11.511 -5.419 1.00 0.00 C ATOM 891 CG GLU A 56 -13.838 -12.793 -6.221 1.00 0.00 C ATOM 892 CD GLU A 56 -15.307 -13.205 -6.119 1.00 0.00 C ATOM 893 OE1 GLU A 56 -15.669 -13.789 -5.110 1.00 0.00 O ATOM 894 OE2 GLU A 56 -16.046 -12.930 -7.050 1.00 0.00 O ATOM 0 H GLU A 56 -11.427 -11.946 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.197 -10.842 -6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.575 -11.737 -4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.436 -10.819 -5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.566 -12.635 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.199 -13.591 -5.842 1.00 0.00 H new ATOM 901 N LYS A 57 -12.030 -9.219 -4.096 1.00 0.00 N ATOM 902 CA LYS A 57 -11.941 -7.829 -3.549 1.00 0.00 C ATOM 903 C LYS A 57 -10.741 -7.092 -4.155 1.00 0.00 C ATOM 904 O LYS A 57 -10.708 -5.876 -4.194 1.00 0.00 O ATOM 905 CB LYS A 57 -11.753 -8.001 -2.039 1.00 0.00 C ATOM 906 CG LYS A 57 -13.121 -8.082 -1.360 1.00 0.00 C ATOM 907 CD LYS A 57 -13.007 -7.576 0.079 1.00 0.00 C ATOM 908 CE LYS A 57 -12.155 -8.548 0.898 1.00 0.00 C ATOM 909 NZ LYS A 57 -13.126 -9.518 1.476 1.00 0.00 N ATOM 0 H LYS A 57 -11.933 -9.962 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.828 -7.241 -3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.179 -8.905 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.184 -7.164 -1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.848 -7.485 -1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.482 -9.110 -1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.558 -6.583 0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.998 -7.483 0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.419 -9.052 0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.604 -8.027 1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.937 -9.635 2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.094 -9.162 1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.026 -10.436 0.997 1.00 0.00 H new ATOM 923 N SER A 58 -9.754 -7.817 -4.626 1.00 0.00 N ATOM 924 CA SER A 58 -8.552 -7.158 -5.228 1.00 0.00 C ATOM 925 C SER A 58 -8.961 -6.293 -6.424 1.00 0.00 C ATOM 926 O SER A 58 -8.316 -5.310 -6.737 1.00 0.00 O ATOM 927 CB SER A 58 -7.648 -8.304 -5.682 1.00 0.00 C ATOM 928 OG SER A 58 -8.421 -9.255 -6.404 1.00 0.00 O ATOM 0 H SER A 58 -9.729 -8.837 -4.619 1.00 0.00 H new ATOM 0 HA SER A 58 -8.049 -6.501 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.843 -7.921 -6.309 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.181 -8.778 -4.819 1.00 0.00 H new ATOM 0 HG SER A 58 -8.525 -10.068 -5.866 1.00 0.00 H new ATOM 934 N LYS A 59 -10.026 -6.654 -7.093 1.00 0.00 N ATOM 935 CA LYS A 59 -10.482 -5.856 -8.273 1.00 0.00 C ATOM 936 C LYS A 59 -11.197 -4.586 -7.807 1.00 0.00 C ATOM 937 O LYS A 59 -11.190 -3.575 -8.486 1.00 0.00 O ATOM 938 CB LYS A 59 -11.450 -6.771 -9.026 1.00 0.00 C ATOM 939 CG LYS A 59 -11.806 -6.138 -10.374 1.00 0.00 C ATOM 940 CD LYS A 59 -12.371 -7.210 -11.307 1.00 0.00 C ATOM 941 CE LYS A 59 -13.869 -7.379 -11.044 1.00 0.00 C ATOM 942 NZ LYS A 59 -14.378 -8.158 -12.207 1.00 0.00 N ATOM 0 H LYS A 59 -10.601 -7.468 -6.874 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.650 -5.540 -8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.996 -7.750 -9.180 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.353 -6.928 -8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.537 -5.342 -10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.921 -5.683 -10.819 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.203 -6.928 -12.346 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.854 -8.156 -11.146 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.048 -7.906 -10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.368 -6.413 -10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.400 -8.315 -12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.199 -7.629 -13.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.890 -9.075 -12.251 1.00 0.00 H new ATOM 956 N PHE A 60 -11.814 -4.631 -6.653 1.00 0.00 N ATOM 957 CA PHE A 60 -12.533 -3.430 -6.133 1.00 0.00 C ATOM 958 C PHE A 60 -11.583 -2.559 -5.306 1.00 0.00 C ATOM 959 O PHE A 60 -11.752 -1.357 -5.215 1.00 0.00 O ATOM 960 CB PHE A 60 -13.650 -3.990 -5.253 1.00 0.00 C ATOM 961 CG PHE A 60 -14.717 -4.608 -6.124 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.641 -3.791 -6.786 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.781 -5.999 -6.271 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.630 -4.365 -7.595 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.771 -6.573 -7.079 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.695 -5.756 -7.740 1.00 0.00 C ATOM 0 H PHE A 60 -11.850 -5.451 -6.047 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.920 -2.801 -6.935 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.248 -4.736 -4.568 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -14.079 -3.195 -4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.591 -2.718 -6.673 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.067 -6.629 -5.762 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -17.342 -3.735 -8.107 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.821 -7.646 -7.192 1.00 0.00 H new ATOM 0 HZ PHE A 60 -17.459 -6.199 -8.362 1.00 0.00 H new ATOM 976 N GLU A 61 -10.586 -3.158 -4.704 1.00 0.00 N ATOM 977 CA GLU A 61 -9.619 -2.371 -3.880 1.00 0.00 C ATOM 978 C GLU A 61 -8.665 -1.588 -4.786 1.00 0.00 C ATOM 979 O GLU A 61 -8.169 -0.539 -4.420 1.00 0.00 O ATOM 980 CB GLU A 61 -8.849 -3.410 -3.062 1.00 0.00 C ATOM 981 CG GLU A 61 -8.255 -2.745 -1.819 1.00 0.00 C ATOM 982 CD GLU A 61 -7.040 -1.907 -2.220 1.00 0.00 C ATOM 983 OE1 GLU A 61 -6.034 -2.493 -2.584 1.00 0.00 O ATOM 984 OE2 GLU A 61 -7.136 -0.692 -2.156 1.00 0.00 O ATOM 0 H GLU A 61 -10.400 -4.160 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.121 -1.644 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.514 -4.223 -2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.055 -3.849 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.003 -2.114 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.963 -3.503 -1.092 1.00 0.00 H new ATOM 991 N ASP A 62 -8.409 -2.091 -5.967 1.00 0.00 N ATOM 992 CA ASP A 62 -7.487 -1.380 -6.906 1.00 0.00 C ATOM 993 C ASP A 62 -8.180 -0.149 -7.498 1.00 0.00 C ATOM 994 O ASP A 62 -7.539 0.824 -7.850 1.00 0.00 O ATOM 995 CB ASP A 62 -7.170 -2.397 -8.005 1.00 0.00 C ATOM 996 CG ASP A 62 -5.982 -1.901 -8.832 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.896 -1.820 -8.282 1.00 0.00 O ATOM 998 OD2 ASP A 62 -6.178 -1.613 -10.001 1.00 0.00 O ATOM 0 H ASP A 62 -8.799 -2.964 -6.322 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.584 -1.028 -6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.940 -3.366 -7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.040 -2.538 -8.647 1.00 0.00 H new ATOM 1003 N MET A 63 -9.483 -0.187 -7.608 1.00 0.00 N ATOM 1004 CA MET A 63 -10.228 0.978 -8.176 1.00 0.00 C ATOM 1005 C MET A 63 -10.418 2.058 -7.108 1.00 0.00 C ATOM 1006 O MET A 63 -10.513 3.232 -7.412 1.00 0.00 O ATOM 1007 CB MET A 63 -11.580 0.411 -8.614 1.00 0.00 C ATOM 1008 CG MET A 63 -11.408 -0.373 -9.915 1.00 0.00 C ATOM 1009 SD MET A 63 -11.256 0.781 -11.300 1.00 0.00 S ATOM 1010 CE MET A 63 -13.015 0.868 -11.717 1.00 0.00 C ATOM 0 H MET A 63 -10.065 -0.976 -7.328 1.00 0.00 H new ATOM 0 HA MET A 63 -9.695 1.443 -9.005 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.983 -0.238 -7.837 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.296 1.220 -8.757 1.00 0.00 H new ATOM 0 HG2 MET A 63 -10.522 -1.006 -9.856 1.00 0.00 H new ATOM 0 HG3 MET A 63 -12.262 -1.033 -10.070 1.00 0.00 H new ATOM 0 HE1 MET A 63 -13.155 1.540 -12.564 1.00 0.00 H new ATOM 0 HE2 MET A 63 -13.376 -0.126 -11.979 1.00 0.00 H new ATOM 0 HE3 MET A 63 -13.574 1.243 -10.860 1.00 0.00 H new ATOM 1020 N ALA A 64 -10.474 1.667 -5.859 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.657 2.666 -4.763 1.00 0.00 C ATOM 1022 C ALA A 64 -9.319 3.321 -4.413 1.00 0.00 C ATOM 1023 O ALA A 64 -9.270 4.455 -3.972 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.186 1.859 -3.576 1.00 0.00 C ATOM 0 H ALA A 64 -10.401 0.697 -5.551 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.338 3.469 -5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.347 2.523 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.129 1.385 -3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.460 1.093 -3.304 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.234 2.615 -4.608 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.892 3.190 -4.289 1.00 0.00 C ATOM 1032 C LYS A 65 -6.447 4.145 -5.400 1.00 0.00 C ATOM 1033 O LYS A 65 -5.707 5.082 -5.164 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.951 1.987 -4.207 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.672 2.386 -3.467 1.00 0.00 C ATOM 1036 CD LYS A 65 -4.952 2.451 -1.965 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.647 2.726 -1.213 1.00 0.00 C ATOM 1038 NZ LYS A 65 -3.941 2.383 0.206 1.00 0.00 N ATOM 0 H LYS A 65 -8.220 1.663 -4.975 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.900 3.763 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.442 1.163 -3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.708 1.633 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.881 1.664 -3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.319 3.353 -3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.678 3.236 -1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.389 1.512 -1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.830 2.120 -1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.346 3.769 -1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.093 2.546 0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.718 2.981 0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.218 1.383 0.271 1.00 0.00 H new ATOM 1052 N SER A 66 -6.893 3.911 -6.608 1.00 0.00 N ATOM 1053 CA SER A 66 -6.500 4.804 -7.742 1.00 0.00 C ATOM 1054 C SER A 66 -7.042 6.217 -7.515 1.00 0.00 C ATOM 1055 O SER A 66 -6.335 7.195 -7.673 1.00 0.00 O ATOM 1056 CB SER A 66 -7.135 4.182 -8.987 1.00 0.00 C ATOM 1057 OG SER A 66 -6.744 4.924 -10.134 1.00 0.00 O ATOM 0 H SER A 66 -7.512 3.140 -6.859 1.00 0.00 H new ATOM 0 HA SER A 66 -5.418 4.888 -7.839 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.822 3.143 -9.088 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.221 4.181 -8.893 1.00 0.00 H new ATOM 0 HG SER A 66 -7.148 4.527 -10.934 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.293 6.329 -7.145 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.891 7.678 -6.904 1.00 0.00 C ATOM 1065 C ASP A 67 -8.350 8.271 -5.600 1.00 0.00 C ATOM 1066 O ASP A 67 -8.253 9.475 -5.450 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.398 7.437 -6.797 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.982 7.225 -8.195 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -11.024 8.182 -8.950 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.377 6.108 -8.486 1.00 0.00 O ATOM 0 H ASP A 67 -8.927 5.543 -6.999 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.648 8.382 -7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.594 6.565 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.880 8.288 -6.315 1.00 0.00 H new ATOM 1075 N LYS A 68 -7.998 7.433 -4.659 1.00 0.00 N ATOM 1076 CA LYS A 68 -7.460 7.940 -3.358 1.00 0.00 C ATOM 1077 C LYS A 68 -6.105 8.619 -3.575 1.00 0.00 C ATOM 1078 O LYS A 68 -5.761 9.566 -2.893 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.304 6.702 -2.474 1.00 0.00 C ATOM 1080 CG LYS A 68 -7.221 7.128 -1.007 1.00 0.00 C ATOM 1081 CD LYS A 68 -5.772 7.468 -0.655 1.00 0.00 C ATOM 1082 CE LYS A 68 -5.560 7.299 0.852 1.00 0.00 C ATOM 1083 NZ LYS A 68 -5.899 8.625 1.438 1.00 0.00 N ATOM 0 H LYS A 68 -8.060 6.418 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.119 8.680 -2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.149 6.029 -2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.406 6.152 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.861 7.993 -0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.584 6.327 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.091 6.818 -1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.545 8.492 -0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.199 6.514 1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.531 7.019 1.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.778 8.589 2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.270 9.351 1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.886 8.862 1.213 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.338 8.140 -4.522 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.002 8.751 -4.791 1.00 0.00 C ATOM 1099 C ALA A 69 -4.103 9.762 -5.937 1.00 0.00 C ATOM 1100 O ALA A 69 -3.393 10.749 -5.969 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.104 7.580 -5.188 1.00 0.00 C ATOM 0 H ALA A 69 -5.581 7.351 -5.121 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.613 9.289 -3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.101 7.947 -5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.060 6.861 -4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.510 7.095 -6.075 1.00 0.00 H new ATOM 1107 N ARG A 70 -4.983 9.520 -6.876 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.139 10.463 -8.026 1.00 0.00 C ATOM 1109 C ARG A 70 -5.774 11.778 -7.558 1.00 0.00 C ATOM 1110 O ARG A 70 -5.605 12.810 -8.179 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.061 9.746 -9.014 1.00 0.00 C ATOM 1112 CG ARG A 70 -6.072 10.501 -10.343 1.00 0.00 C ATOM 1113 CD ARG A 70 -6.501 9.553 -11.466 1.00 0.00 C ATOM 1114 NE ARG A 70 -6.366 10.351 -12.716 1.00 0.00 N ATOM 1115 CZ ARG A 70 -7.277 10.265 -13.647 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -8.449 10.807 -13.463 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -7.015 9.638 -14.760 1.00 0.00 N ATOM 0 H ARG A 70 -5.601 8.709 -6.896 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.180 10.717 -8.476 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.720 8.722 -9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.071 9.688 -8.608 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.756 11.348 -10.287 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.081 10.905 -10.552 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.870 8.664 -11.495 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.526 9.212 -11.324 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.562 10.965 -12.845 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.653 11.298 -12.592 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.161 10.740 -14.190 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.098 9.215 -14.903 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.727 9.571 -15.487 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.505 11.747 -6.469 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.155 12.997 -5.959 1.00 0.00 C ATOM 1133 C TYR A 71 -6.100 14.071 -5.673 1.00 0.00 C ATOM 1134 O TYR A 71 -6.374 15.254 -5.745 1.00 0.00 O ATOM 1135 CB TYR A 71 -7.861 12.585 -4.665 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.848 13.655 -4.267 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -10.096 13.727 -4.899 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -8.516 14.577 -3.267 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -11.010 14.720 -4.530 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -9.431 15.570 -2.898 1.00 0.00 C ATOM 1141 CZ TYR A 71 -10.678 15.642 -3.530 1.00 0.00 C ATOM 1142 OH TYR A 71 -11.581 16.620 -3.165 1.00 0.00 O ATOM 0 H TYR A 71 -6.680 10.911 -5.911 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.849 13.420 -6.685 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.376 11.635 -4.806 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.130 12.436 -3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.353 13.016 -5.671 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.554 14.522 -2.780 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.972 14.775 -5.017 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.175 16.280 -2.126 1.00 0.00 H new ATOM 0 HH TYR A 71 -11.193 17.175 -2.457 1.00 0.00 H new ATOM 1152 N ASP A 72 -4.898 13.664 -5.351 1.00 0.00 N ATOM 1153 CA ASP A 72 -3.819 14.658 -5.060 1.00 0.00 C ATOM 1154 C ASP A 72 -3.435 15.407 -6.338 1.00 0.00 C ATOM 1155 O ASP A 72 -3.048 16.560 -6.299 1.00 0.00 O ATOM 1156 CB ASP A 72 -2.637 13.833 -4.547 1.00 0.00 C ATOM 1157 CG ASP A 72 -1.613 14.761 -3.891 1.00 0.00 C ATOM 1158 OD1 ASP A 72 -0.795 15.312 -4.610 1.00 0.00 O ATOM 1159 OD2 ASP A 72 -1.663 14.905 -2.681 1.00 0.00 O ATOM 0 H ASP A 72 -4.617 12.686 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.135 15.406 -4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.983 13.090 -3.828 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.175 13.289 -5.371 1.00 0.00 H new ATOM 1164 N ARG A 73 -3.539 14.757 -7.470 1.00 0.00 N ATOM 1165 CA ARG A 73 -3.183 15.422 -8.759 1.00 0.00 C ATOM 1166 C ARG A 73 -4.449 15.712 -9.571 1.00 0.00 C ATOM 1167 O ARG A 73 -4.463 15.582 -10.780 1.00 0.00 O ATOM 1168 CB ARG A 73 -2.295 14.416 -9.492 1.00 0.00 C ATOM 1169 CG ARG A 73 -0.978 14.250 -8.732 1.00 0.00 C ATOM 1170 CD ARG A 73 0.009 13.455 -9.590 1.00 0.00 C ATOM 1171 NE ARG A 73 0.845 12.700 -8.615 1.00 0.00 N ATOM 1172 CZ ARG A 73 2.088 13.044 -8.417 1.00 0.00 C ATOM 1173 NH1 ARG A 73 2.928 13.058 -9.417 1.00 0.00 N ATOM 1174 NH2 ARG A 73 2.492 13.373 -7.221 1.00 0.00 N ATOM 0 H ARG A 73 -3.856 13.791 -7.556 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.678 16.376 -8.606 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.805 13.456 -9.572 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.100 14.759 -10.508 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.560 15.227 -8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.153 13.734 -7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.512 12.780 -10.269 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.620 14.116 -10.205 1.00 0.00 H new ATOM 0 HE ARG A 73 0.446 11.914 -8.102 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.612 12.800 -10.352 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.900 13.327 -9.263 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.836 13.361 -6.440 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.464 13.642 -7.067 1.00 0.00 H new ATOM 1188 N GLU A 74 -5.510 16.101 -8.910 1.00 0.00 N ATOM 1189 CA GLU A 74 -6.782 16.401 -9.633 1.00 0.00 C ATOM 1190 C GLU A 74 -7.367 17.730 -9.146 1.00 0.00 C ATOM 1191 O GLU A 74 -7.796 18.553 -9.932 1.00 0.00 O ATOM 1192 CB GLU A 74 -7.717 15.244 -9.285 1.00 0.00 C ATOM 1193 CG GLU A 74 -8.974 15.323 -10.153 1.00 0.00 C ATOM 1194 CD GLU A 74 -9.925 14.184 -9.782 1.00 0.00 C ATOM 1195 OE1 GLU A 74 -10.385 14.167 -8.651 1.00 0.00 O ATOM 1196 OE2 GLU A 74 -10.177 13.346 -10.632 1.00 0.00 O ATOM 0 H GLU A 74 -5.550 16.224 -7.898 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.633 16.495 -10.709 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.210 14.292 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.988 15.286 -8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.468 16.284 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.705 15.257 -11.207 1.00 0.00 H new ATOM 1203 N MET A 75 -7.387 17.940 -7.854 1.00 0.00 N ATOM 1204 CA MET A 75 -7.943 19.212 -7.305 1.00 0.00 C ATOM 1205 C MET A 75 -6.858 20.293 -7.271 1.00 0.00 C ATOM 1206 O MET A 75 -7.116 21.449 -7.548 1.00 0.00 O ATOM 1207 CB MET A 75 -8.399 18.865 -5.888 1.00 0.00 C ATOM 1208 CG MET A 75 -9.581 19.755 -5.499 1.00 0.00 C ATOM 1209 SD MET A 75 -8.969 21.370 -4.958 1.00 0.00 S ATOM 1210 CE MET A 75 -9.639 21.316 -3.278 1.00 0.00 C ATOM 0 H MET A 75 -7.041 17.283 -7.155 1.00 0.00 H new ATOM 0 HA MET A 75 -8.760 19.602 -7.912 1.00 0.00 H new ATOM 0 HB2 MET A 75 -8.688 17.815 -5.834 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.578 19.006 -5.186 1.00 0.00 H new ATOM 0 HG2 MET A 75 -10.254 19.875 -6.348 1.00 0.00 H new ATOM 0 HG3 MET A 75 -10.156 19.286 -4.700 1.00 0.00 H new ATOM 0 HE1 MET A 75 -9.375 22.233 -2.751 1.00 0.00 H new ATOM 0 HE2 MET A 75 -10.724 21.222 -3.322 1.00 0.00 H new ATOM 0 HE3 MET A 75 -9.222 20.460 -2.747 1.00 0.00 H new ATOM 1220 N LYS A 76 -5.650 19.921 -6.933 1.00 0.00 N ATOM 1221 CA LYS A 76 -4.541 20.921 -6.878 1.00 0.00 C ATOM 1222 C LYS A 76 -3.771 20.930 -8.201 1.00 0.00 C ATOM 1223 O LYS A 76 -3.735 19.943 -8.914 1.00 0.00 O ATOM 1224 CB LYS A 76 -3.640 20.450 -5.736 1.00 0.00 C ATOM 1225 CG LYS A 76 -4.280 20.820 -4.395 1.00 0.00 C ATOM 1226 CD LYS A 76 -4.163 22.329 -4.173 1.00 0.00 C ATOM 1227 CE LYS A 76 -4.518 22.661 -2.722 1.00 0.00 C ATOM 1228 NZ LYS A 76 -4.127 24.087 -2.547 1.00 0.00 N ATOM 0 H LYS A 76 -5.383 18.966 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.907 21.935 -6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.493 19.372 -5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.656 20.911 -5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.328 20.520 -4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.787 20.283 -3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.149 22.662 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.830 22.860 -4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.582 22.517 -2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.981 22.016 -2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.340 24.389 -1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.108 24.192 -2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.659 24.678 -3.217 1.00 0.00 H new ATOM 1242 N ASN A 77 -3.157 22.036 -8.531 1.00 0.00 N ATOM 1243 CA ASN A 77 -2.386 22.120 -9.808 1.00 0.00 C ATOM 1244 C ASN A 77 -0.896 21.887 -9.543 1.00 0.00 C ATOM 1245 O ASN A 77 -0.308 21.081 -10.246 1.00 0.00 O ATOM 1246 CB ASN A 77 -2.625 23.541 -10.322 1.00 0.00 C ATOM 1247 CG ASN A 77 -2.230 23.624 -11.797 1.00 0.00 C ATOM 1248 OD1 ASN A 77 -2.769 22.915 -12.623 1.00 0.00 O ATOM 1249 ND2 ASN A 77 -1.305 24.467 -12.166 1.00 0.00 N ATOM 1250 OXT ASN A 77 -0.368 22.519 -8.643 1.00 0.00 O ATOM 0 H ASN A 77 -3.156 22.888 -7.970 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.700 21.367 -10.531 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.674 23.812 -10.200 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.042 24.253 -9.738 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.035 24.530 -13.148 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.852 25.063 -11.473 1.00 0.00 H new TER 1257 ASN A 77