USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 758 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 35 ASN : amide:sc= -1.14 K(o=-1.1,f=-5.1!) USER MOD Set 1.2: A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 0 (180deg=-0.0314) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.113 USER MOD Single : A 11 MET CE :methyl 175:sc= -0.452 (180deg=-0.487) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 26 ASN : amide:sc= -0.324 K(o=-0.32,f=-9.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0588 K(o=-0.059,f=-1.8!) USER MOD Single : A 42 CYS SG : rot 70:sc= 0.197 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -100:sc= -0.238 USER MOD Single : A 56 ASN : amide:sc= -0.0266 K(o=-0.027,f=-1.4!) USER MOD Single : A 58 MET CE :methyl -142:sc= -2.62 (180deg=-6.36!) USER MOD Single : A 60 THR OG1 : rot -40:sc= 0.733 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 76 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.177) USER MOD Single : A 79 HIS : no HE2:sc= -2.3 K(o=-2.3,f=-6!) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.103) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00302 USER MOD Single : A 84 THR OG1 : rot -27:sc= 0.472 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 76:sc= 0.369 USER MOD Single : A 92 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00359) USER MOD Single : A 95 ASN : amide:sc= 0.275 X(o=0.28,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.551 8.858 -19.580 1.00 0.00 N ATOM 2 CA MET A 1 17.334 9.751 -18.448 1.00 0.00 C ATOM 3 C MET A 1 16.404 9.111 -17.421 1.00 0.00 C ATOM 4 O MET A 1 15.481 9.753 -16.921 1.00 0.00 O ATOM 5 CB MET A 1 16.748 11.082 -18.924 1.00 0.00 C ATOM 6 CG MET A 1 17.058 12.247 -18.001 1.00 0.00 C ATOM 7 SD MET A 1 16.392 13.810 -18.607 1.00 0.00 S ATOM 8 CE MET A 1 15.843 14.560 -17.076 1.00 0.00 C ATOM 0 H1 MET A 1 18.117 9.346 -20.304 1.00 0.00 H new ATOM 0 H2 MET A 1 18.057 8.008 -19.260 1.00 0.00 H new ATOM 0 H3 MET A 1 16.634 8.582 -19.985 1.00 0.00 H new ATOM 0 HA MET A 1 18.298 9.936 -17.974 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.134 11.305 -19.919 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.667 10.981 -19.017 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.648 12.041 -17.012 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.138 12.337 -17.886 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.406 15.536 -17.285 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.096 13.921 -16.605 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.693 14.680 -16.404 1.00 0.00 H new ATOM 18 N ALA A 2 16.653 7.843 -17.113 1.00 0.00 N ATOM 19 CA ALA A 2 15.839 7.118 -16.145 1.00 0.00 C ATOM 20 C ALA A 2 14.400 6.982 -16.631 1.00 0.00 C ATOM 21 O ALA A 2 13.460 7.030 -15.837 1.00 0.00 O ATOM 22 CB ALA A 2 15.878 7.816 -14.794 1.00 0.00 C ATOM 0 H ALA A 2 17.412 7.296 -17.520 1.00 0.00 H new ATOM 0 HA ALA A 2 16.255 6.116 -16.036 1.00 0.00 H new ATOM 0 HB1 ALA A 2 15.266 7.264 -14.081 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.906 7.856 -14.435 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.490 8.829 -14.897 1.00 0.00 H new ATOM 28 N ARG A 3 14.235 6.811 -17.938 1.00 0.00 N ATOM 29 CA ARG A 3 12.911 6.670 -18.530 1.00 0.00 C ATOM 30 C ARG A 3 12.156 5.503 -17.899 1.00 0.00 C ATOM 31 O ARG A 3 12.441 4.340 -18.183 1.00 0.00 O ATOM 32 CB ARG A 3 13.023 6.462 -20.041 1.00 0.00 C ATOM 33 CG ARG A 3 11.726 6.725 -20.790 1.00 0.00 C ATOM 34 CD ARG A 3 11.942 6.725 -22.296 1.00 0.00 C ATOM 35 NE ARG A 3 12.916 7.733 -22.708 1.00 0.00 N ATOM 36 CZ ARG A 3 13.198 8.005 -23.978 1.00 0.00 C ATOM 37 NH1 ARG A 3 12.583 7.349 -24.952 1.00 0.00 N ATOM 38 NH2 ARG A 3 14.095 8.937 -24.273 1.00 0.00 N ATOM 0 H ARG A 3 15.003 6.767 -18.608 1.00 0.00 H new ATOM 0 HA ARG A 3 12.355 7.588 -18.338 1.00 0.00 H new ATOM 0 HB2 ARG A 3 13.799 7.119 -20.433 1.00 0.00 H new ATOM 0 HB3 ARG A 3 13.344 5.439 -20.236 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.992 5.964 -20.527 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.314 7.686 -20.480 1.00 0.00 H new ATOM 0 HD2 ARG A 3 12.283 5.740 -22.614 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.993 6.911 -22.799 1.00 0.00 H new ATOM 0 HE ARG A 3 13.406 8.256 -21.982 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.891 6.634 -24.728 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.801 7.560 -25.926 1.00 0.00 H new ATOM 0 HH21 ARG A 3 14.568 9.444 -23.525 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.312 9.146 -25.248 1.00 0.00 H new ATOM 52 N GLY A 4 11.190 5.823 -17.042 1.00 0.00 N ATOM 53 CA GLY A 4 10.411 4.791 -16.385 1.00 0.00 C ATOM 54 C GLY A 4 9.065 4.570 -17.048 1.00 0.00 C ATOM 55 O GLY A 4 8.022 4.710 -16.411 1.00 0.00 O ATOM 0 H GLY A 4 10.934 6.778 -16.792 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.973 3.857 -16.390 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.258 5.065 -15.341 1.00 0.00 H new ATOM 59 N SER A 5 9.089 4.226 -18.331 1.00 0.00 N ATOM 60 CA SER A 5 7.862 3.991 -19.082 1.00 0.00 C ATOM 61 C SER A 5 6.986 2.954 -18.383 1.00 0.00 C ATOM 62 O SER A 5 7.389 2.357 -17.384 1.00 0.00 O ATOM 63 CB SER A 5 8.189 3.523 -20.502 1.00 0.00 C ATOM 64 OG SER A 5 8.536 2.150 -20.520 1.00 0.00 O ATOM 0 H SER A 5 9.945 4.104 -18.872 1.00 0.00 H new ATOM 0 HA SER A 5 7.312 4.931 -19.134 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.330 3.692 -21.151 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.012 4.114 -20.902 1.00 0.00 H new ATOM 0 HG SER A 5 8.739 1.876 -21.439 1.00 0.00 H new ATOM 70 N VAL A 6 5.786 2.747 -18.916 1.00 0.00 N ATOM 71 CA VAL A 6 4.853 1.783 -18.344 1.00 0.00 C ATOM 72 C VAL A 6 4.025 1.109 -19.433 1.00 0.00 C ATOM 73 O VAL A 6 3.236 1.758 -20.118 1.00 0.00 O ATOM 74 CB VAL A 6 3.904 2.452 -17.333 1.00 0.00 C ATOM 75 CG1 VAL A 6 3.107 1.402 -16.574 1.00 0.00 C ATOM 76 CG2 VAL A 6 4.686 3.335 -16.373 1.00 0.00 C ATOM 0 H VAL A 6 5.437 3.233 -19.742 1.00 0.00 H new ATOM 0 HA VAL A 6 5.450 1.032 -17.827 1.00 0.00 H new ATOM 0 HB VAL A 6 3.202 3.081 -17.881 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.442 1.893 -15.864 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.517 0.814 -17.277 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.790 0.745 -16.036 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.000 3.800 -15.665 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.411 2.729 -15.830 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.208 4.110 -16.935 1.00 0.00 H new ATOM 86 N SER A 7 4.212 -0.199 -19.586 1.00 0.00 N ATOM 87 CA SER A 7 3.484 -0.962 -20.593 1.00 0.00 C ATOM 88 C SER A 7 1.981 -0.733 -20.466 1.00 0.00 C ATOM 89 O SER A 7 1.492 -0.306 -19.420 1.00 0.00 O ATOM 90 CB SER A 7 3.798 -2.453 -20.459 1.00 0.00 C ATOM 91 OG SER A 7 3.800 -2.853 -19.099 1.00 0.00 O ATOM 0 H SER A 7 4.861 -0.751 -19.026 1.00 0.00 H new ATOM 0 HA SER A 7 3.804 -0.618 -21.576 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.060 -3.034 -21.011 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.770 -2.665 -20.905 1.00 0.00 H new ATOM 0 HG SER A 7 4.001 -3.810 -19.040 1.00 0.00 H new ATOM 97 N ASP A 8 1.253 -1.020 -21.541 1.00 0.00 N ATOM 98 CA ASP A 8 -0.195 -0.847 -21.551 1.00 0.00 C ATOM 99 C ASP A 8 -0.836 -1.560 -20.365 1.00 0.00 C ATOM 100 O ASP A 8 -1.548 -0.946 -19.571 1.00 0.00 O ATOM 101 CB ASP A 8 -0.783 -1.377 -22.860 1.00 0.00 C ATOM 102 CG ASP A 8 -0.301 -0.601 -24.068 1.00 0.00 C ATOM 103 OD1 ASP A 8 -0.798 0.524 -24.289 1.00 0.00 O ATOM 104 OD2 ASP A 8 0.575 -1.117 -24.794 1.00 0.00 O ATOM 0 H ASP A 8 1.642 -1.373 -22.415 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.410 0.218 -21.470 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.515 -2.427 -22.976 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.871 -1.329 -22.812 1.00 0.00 H new ATOM 109 N GLU A 9 -0.579 -2.860 -20.252 1.00 0.00 N ATOM 110 CA GLU A 9 -1.134 -3.656 -19.163 1.00 0.00 C ATOM 111 C GLU A 9 -0.750 -3.067 -17.809 1.00 0.00 C ATOM 112 O GLU A 9 -1.613 -2.736 -16.998 1.00 0.00 O ATOM 113 CB GLU A 9 -0.646 -5.102 -19.260 1.00 0.00 C ATOM 114 CG GLU A 9 -1.391 -5.928 -20.296 1.00 0.00 C ATOM 115 CD GLU A 9 -1.277 -7.419 -20.045 1.00 0.00 C ATOM 116 OE1 GLU A 9 -1.711 -7.873 -18.965 1.00 0.00 O ATOM 117 OE2 GLU A 9 -0.756 -8.132 -20.927 1.00 0.00 O ATOM 0 H GLU A 9 0.009 -3.383 -20.900 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.220 -3.640 -19.251 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.417 -5.102 -19.503 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.750 -5.578 -18.285 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.443 -5.643 -20.295 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.000 -5.699 -21.287 1.00 0.00 H new ATOM 124 N GLU A 10 0.553 -2.942 -17.573 1.00 0.00 N ATOM 125 CA GLU A 10 1.052 -2.395 -16.317 1.00 0.00 C ATOM 126 C GLU A 10 0.363 -1.075 -15.986 1.00 0.00 C ATOM 127 O GLU A 10 -0.180 -0.902 -14.895 1.00 0.00 O ATOM 128 CB GLU A 10 2.566 -2.189 -16.390 1.00 0.00 C ATOM 129 CG GLU A 10 3.197 -1.829 -15.055 1.00 0.00 C ATOM 130 CD GLU A 10 4.002 -2.971 -14.464 1.00 0.00 C ATOM 131 OE1 GLU A 10 4.640 -3.711 -15.243 1.00 0.00 O ATOM 132 OE2 GLU A 10 3.993 -3.125 -13.225 1.00 0.00 O ATOM 0 H GLU A 10 1.281 -3.212 -18.235 1.00 0.00 H new ATOM 0 HA GLU A 10 0.828 -3.110 -15.525 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.030 -3.100 -16.768 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.782 -1.399 -17.109 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.845 -0.962 -15.185 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.414 -1.540 -14.354 1.00 0.00 H new ATOM 139 N MET A 11 0.389 -0.146 -16.937 1.00 0.00 N ATOM 140 CA MET A 11 -0.233 1.160 -16.747 1.00 0.00 C ATOM 141 C MET A 11 -1.679 1.010 -16.285 1.00 0.00 C ATOM 142 O MET A 11 -2.130 1.722 -15.388 1.00 0.00 O ATOM 143 CB MET A 11 -0.182 1.966 -18.046 1.00 0.00 C ATOM 144 CG MET A 11 -0.083 3.467 -17.826 1.00 0.00 C ATOM 145 SD MET A 11 -1.615 4.179 -17.195 1.00 0.00 S ATOM 146 CE MET A 11 -1.018 5.027 -15.735 1.00 0.00 C ATOM 0 H MET A 11 0.834 -0.273 -17.846 1.00 0.00 H new ATOM 0 HA MET A 11 0.324 1.692 -15.976 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.674 1.636 -18.635 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.075 1.751 -18.633 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.725 3.675 -17.125 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.178 3.952 -18.767 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.834 5.591 -15.283 1.00 0.00 H new ATOM 0 HE2 MET A 11 -0.641 4.297 -15.019 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.215 5.710 -16.013 1.00 0.00 H new ATOM 156 N MET A 12 -2.400 0.080 -16.902 1.00 0.00 N ATOM 157 CA MET A 12 -3.795 -0.162 -16.552 1.00 0.00 C ATOM 158 C MET A 12 -3.908 -0.769 -15.157 1.00 0.00 C ATOM 159 O MET A 12 -4.516 -0.181 -14.263 1.00 0.00 O ATOM 160 CB MET A 12 -4.447 -1.092 -17.578 1.00 0.00 C ATOM 161 CG MET A 12 -5.113 -0.353 -18.729 1.00 0.00 C ATOM 162 SD MET A 12 -5.771 -1.470 -19.981 1.00 0.00 S ATOM 163 CE MET A 12 -7.462 -0.890 -20.098 1.00 0.00 C ATOM 0 H MET A 12 -2.042 -0.518 -17.646 1.00 0.00 H new ATOM 0 HA MET A 12 -4.316 0.796 -16.557 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.690 -1.766 -17.979 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.190 -1.711 -17.075 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.921 0.266 -18.339 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.390 0.319 -19.191 1.00 0.00 H new ATOM 0 HE1 MET A 12 -8.000 -1.485 -20.836 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.948 -0.988 -19.128 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.467 0.157 -20.402 1.00 0.00 H new ATOM 173 N GLU A 13 -3.319 -1.947 -14.980 1.00 0.00 N ATOM 174 CA GLU A 13 -3.356 -2.633 -13.692 1.00 0.00 C ATOM 175 C GLU A 13 -2.904 -1.704 -12.568 1.00 0.00 C ATOM 176 O GLU A 13 -3.363 -1.817 -11.431 1.00 0.00 O ATOM 177 CB GLU A 13 -2.468 -3.878 -13.728 1.00 0.00 C ATOM 178 CG GLU A 13 -3.212 -5.145 -14.118 1.00 0.00 C ATOM 179 CD GLU A 13 -4.346 -5.473 -13.166 1.00 0.00 C ATOM 180 OE1 GLU A 13 -5.278 -6.193 -13.580 1.00 0.00 O ATOM 181 OE2 GLU A 13 -4.301 -5.009 -12.008 1.00 0.00 O ATOM 0 H GLU A 13 -2.811 -2.446 -15.710 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.385 -2.935 -13.498 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.654 -3.713 -14.434 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.015 -4.020 -12.747 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.610 -5.032 -15.126 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.511 -5.980 -14.144 1.00 0.00 H new ATOM 188 N LEU A 14 -2.000 -0.787 -12.895 1.00 0.00 N ATOM 189 CA LEU A 14 -1.484 0.162 -11.914 1.00 0.00 C ATOM 190 C LEU A 14 -2.473 1.300 -11.685 1.00 0.00 C ATOM 191 O LEU A 14 -2.963 1.496 -10.572 1.00 0.00 O ATOM 192 CB LEU A 14 -0.140 0.725 -12.377 1.00 0.00 C ATOM 193 CG LEU A 14 1.083 -0.154 -12.115 1.00 0.00 C ATOM 194 CD1 LEU A 14 2.321 0.445 -12.762 1.00 0.00 C ATOM 195 CD2 LEU A 14 1.297 -0.337 -10.619 1.00 0.00 C ATOM 0 H LEU A 14 -1.609 -0.680 -13.831 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.343 -0.368 -10.972 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.200 0.919 -13.448 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.017 1.686 -11.887 1.00 0.00 H new ATOM 0 HG LEU A 14 0.904 -1.133 -12.560 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.181 -0.195 -12.564 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.167 0.524 -13.838 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.504 1.437 -12.348 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.172 -0.965 -10.451 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.454 0.635 -10.152 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.419 -0.812 -10.181 1.00 0.00 H new ATOM 207 N ARG A 15 -2.765 2.047 -12.745 1.00 0.00 N ATOM 208 CA ARG A 15 -3.696 3.165 -12.660 1.00 0.00 C ATOM 209 C ARG A 15 -5.012 2.729 -12.022 1.00 0.00 C ATOM 210 O ARG A 15 -5.624 3.480 -11.264 1.00 0.00 O ATOM 211 CB ARG A 15 -3.960 3.745 -14.051 1.00 0.00 C ATOM 212 CG ARG A 15 -5.062 3.026 -14.812 1.00 0.00 C ATOM 213 CD ARG A 15 -6.428 3.624 -14.511 1.00 0.00 C ATOM 214 NE ARG A 15 -7.373 3.408 -15.602 1.00 0.00 N ATOM 215 CZ ARG A 15 -8.579 3.962 -15.652 1.00 0.00 C ATOM 216 NH1 ARG A 15 -8.984 4.762 -14.676 1.00 0.00 N ATOM 217 NH2 ARG A 15 -9.382 3.717 -16.679 1.00 0.00 N ATOM 0 H ARG A 15 -2.370 1.898 -13.673 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.244 3.934 -12.033 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.226 4.797 -13.952 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.040 3.702 -14.634 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.865 3.086 -15.882 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.060 1.969 -14.546 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.823 3.182 -13.596 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.323 4.694 -14.329 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.091 2.797 -16.369 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.369 4.953 -13.885 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.911 5.187 -14.716 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.074 3.102 -17.432 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.308 4.143 -16.716 1.00 0.00 H new ATOM 231 N GLU A 16 -5.441 1.510 -12.336 1.00 0.00 N ATOM 232 CA GLU A 16 -6.686 0.976 -11.794 1.00 0.00 C ATOM 233 C GLU A 16 -6.508 0.561 -10.336 1.00 0.00 C ATOM 234 O GLU A 16 -7.412 0.732 -9.517 1.00 0.00 O ATOM 235 CB GLU A 16 -7.156 -0.220 -12.623 1.00 0.00 C ATOM 236 CG GLU A 16 -6.319 -1.472 -12.417 1.00 0.00 C ATOM 237 CD GLU A 16 -6.777 -2.290 -11.225 1.00 0.00 C ATOM 238 OE1 GLU A 16 -7.990 -2.573 -11.132 1.00 0.00 O ATOM 239 OE2 GLU A 16 -5.924 -2.647 -10.387 1.00 0.00 O ATOM 0 H GLU A 16 -4.946 0.875 -12.962 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.441 1.760 -11.842 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.193 -0.441 -12.370 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.136 0.050 -13.679 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.366 -2.088 -13.315 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.276 -1.188 -12.279 1.00 0.00 H new ATOM 246 N ALA A 17 -5.340 0.013 -10.021 1.00 0.00 N ATOM 247 CA ALA A 17 -5.044 -0.427 -8.662 1.00 0.00 C ATOM 248 C ALA A 17 -5.111 0.739 -7.681 1.00 0.00 C ATOM 249 O ALA A 17 -5.544 0.580 -6.540 1.00 0.00 O ATOM 250 CB ALA A 17 -3.674 -1.086 -8.608 1.00 0.00 C ATOM 0 H ALA A 17 -4.583 -0.137 -10.688 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.799 -1.157 -8.370 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.466 -1.410 -7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.659 -1.950 -9.273 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.914 -0.372 -8.924 1.00 0.00 H new ATOM 256 N PHE A 18 -4.680 1.913 -8.133 1.00 0.00 N ATOM 257 CA PHE A 18 -4.690 3.105 -7.295 1.00 0.00 C ATOM 258 C PHE A 18 -6.103 3.664 -7.162 1.00 0.00 C ATOM 259 O PHE A 18 -6.592 3.888 -6.054 1.00 0.00 O ATOM 260 CB PHE A 18 -3.760 4.171 -7.878 1.00 0.00 C ATOM 261 CG PHE A 18 -2.482 3.613 -8.435 1.00 0.00 C ATOM 262 CD1 PHE A 18 -1.759 2.666 -7.728 1.00 0.00 C ATOM 263 CD2 PHE A 18 -2.002 4.037 -9.664 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.582 2.149 -8.237 1.00 0.00 C ATOM 265 CE2 PHE A 18 -0.827 3.524 -10.178 1.00 0.00 C ATOM 266 CZ PHE A 18 -0.115 2.580 -9.464 1.00 0.00 C ATOM 0 H PHE A 18 -4.320 2.063 -9.075 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.334 2.825 -6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.286 4.709 -8.667 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.522 4.898 -7.101 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.119 2.328 -6.768 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.553 4.777 -10.226 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.029 1.410 -7.677 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.465 3.861 -11.138 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.805 2.180 -9.864 1.00 0.00 H new ATOM 276 N ALA A 19 -6.754 3.889 -8.299 1.00 0.00 N ATOM 277 CA ALA A 19 -8.111 4.421 -8.309 1.00 0.00 C ATOM 278 C ALA A 19 -9.075 3.481 -7.593 1.00 0.00 C ATOM 279 O ALA A 19 -10.169 3.881 -7.195 1.00 0.00 O ATOM 280 CB ALA A 19 -8.572 4.663 -9.739 1.00 0.00 C ATOM 0 H ALA A 19 -6.364 3.711 -9.224 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.106 5.371 -7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.587 5.060 -9.732 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.906 5.379 -10.220 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.554 3.723 -10.291 1.00 0.00 H new ATOM 286 N LYS A 20 -8.662 2.227 -7.432 1.00 0.00 N ATOM 287 CA LYS A 20 -9.489 1.230 -6.764 1.00 0.00 C ATOM 288 C LYS A 20 -9.703 1.594 -5.298 1.00 0.00 C ATOM 289 O LYS A 20 -10.836 1.780 -4.854 1.00 0.00 O ATOM 290 CB LYS A 20 -8.838 -0.152 -6.867 1.00 0.00 C ATOM 291 CG LYS A 20 -9.700 -1.178 -7.582 1.00 0.00 C ATOM 292 CD LYS A 20 -9.917 -0.805 -9.039 1.00 0.00 C ATOM 293 CE LYS A 20 -11.277 -1.270 -9.537 1.00 0.00 C ATOM 294 NZ LYS A 20 -11.645 -0.624 -10.828 1.00 0.00 N ATOM 0 H LYS A 20 -7.760 1.878 -7.755 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.460 1.207 -7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.888 -0.059 -7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.613 -0.514 -5.864 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.226 -2.158 -7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.663 -1.259 -7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.836 0.276 -9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.133 -1.251 -9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.267 -2.353 -9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.035 -1.043 -8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.578 -0.967 -11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.679 0.408 -10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.935 -0.862 -11.550 1.00 0.00 H new ATOM 308 N VAL A 21 -8.608 1.696 -4.552 1.00 0.00 N ATOM 309 CA VAL A 21 -8.677 2.041 -3.137 1.00 0.00 C ATOM 310 C VAL A 21 -9.084 3.498 -2.946 1.00 0.00 C ATOM 311 O VAL A 21 -9.599 3.876 -1.894 1.00 0.00 O ATOM 312 CB VAL A 21 -7.328 1.800 -2.434 1.00 0.00 C ATOM 313 CG1 VAL A 21 -7.049 0.310 -2.311 1.00 0.00 C ATOM 314 CG2 VAL A 21 -6.205 2.501 -3.183 1.00 0.00 C ATOM 0 H VAL A 21 -7.663 1.545 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.432 1.394 -2.690 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.381 2.219 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.092 0.159 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.840 -0.161 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.015 -0.137 -3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.259 2.320 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.148 2.113 -4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.402 3.573 -3.214 1.00 0.00 H new ATOM 324 N ASP A 22 -8.849 4.311 -3.970 1.00 0.00 N ATOM 325 CA ASP A 22 -9.193 5.727 -3.915 1.00 0.00 C ATOM 326 C ASP A 22 -10.694 5.929 -4.092 1.00 0.00 C ATOM 327 O ASP A 22 -11.168 6.215 -5.193 1.00 0.00 O ATOM 328 CB ASP A 22 -8.430 6.500 -4.993 1.00 0.00 C ATOM 329 CG ASP A 22 -6.954 6.635 -4.674 1.00 0.00 C ATOM 330 OD1 ASP A 22 -6.197 7.092 -5.555 1.00 0.00 O ATOM 331 OD2 ASP A 22 -6.557 6.285 -3.544 1.00 0.00 O ATOM 0 H ASP A 22 -8.422 4.014 -4.847 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.908 6.108 -2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.547 5.993 -5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.867 7.492 -5.102 1.00 0.00 H new ATOM 336 N THR A 23 -11.440 5.777 -3.002 1.00 0.00 N ATOM 337 CA THR A 23 -12.888 5.940 -3.037 1.00 0.00 C ATOM 338 C THR A 23 -13.271 7.367 -3.413 1.00 0.00 C ATOM 339 O THR A 23 -14.294 7.594 -4.059 1.00 0.00 O ATOM 340 CB THR A 23 -13.525 5.590 -1.679 1.00 0.00 C ATOM 341 OG1 THR A 23 -12.527 5.597 -0.653 1.00 0.00 O ATOM 342 CG2 THR A 23 -14.195 4.226 -1.732 1.00 0.00 C ATOM 0 H THR A 23 -11.065 5.541 -2.083 1.00 0.00 H new ATOM 0 HA THR A 23 -13.266 5.254 -3.795 1.00 0.00 H new ATOM 0 HB THR A 23 -14.282 6.341 -1.453 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.941 5.375 0.207 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.638 4.000 -0.762 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.974 4.233 -2.494 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.454 3.466 -1.978 1.00 0.00 H new ATOM 350 N ASP A 24 -12.445 8.323 -3.004 1.00 0.00 N ATOM 351 CA ASP A 24 -12.697 9.729 -3.301 1.00 0.00 C ATOM 352 C ASP A 24 -12.150 10.101 -4.676 1.00 0.00 C ATOM 353 O ASP A 24 -12.436 11.179 -5.197 1.00 0.00 O ATOM 354 CB ASP A 24 -12.066 10.619 -2.229 1.00 0.00 C ATOM 355 CG ASP A 24 -10.617 10.263 -1.960 1.00 0.00 C ATOM 356 OD1 ASP A 24 -10.107 10.626 -0.880 1.00 0.00 O ATOM 357 OD2 ASP A 24 -9.993 9.618 -2.829 1.00 0.00 O ATOM 0 H ASP A 24 -11.596 8.151 -2.466 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.776 9.887 -3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.129 11.661 -2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.637 10.530 -1.305 1.00 0.00 H new ATOM 362 N GLY A 25 -11.362 9.202 -5.257 1.00 0.00 N ATOM 363 CA GLY A 25 -10.787 9.455 -6.565 1.00 0.00 C ATOM 364 C GLY A 25 -9.877 10.666 -6.574 1.00 0.00 C ATOM 365 O GLY A 25 -9.899 11.461 -7.513 1.00 0.00 O ATOM 0 H GLY A 25 -11.112 8.303 -4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.224 8.579 -6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.589 9.602 -7.289 1.00 0.00 H new ATOM 369 N ASN A 26 -9.074 10.810 -5.525 1.00 0.00 N ATOM 370 CA ASN A 26 -8.153 11.935 -5.415 1.00 0.00 C ATOM 371 C ASN A 26 -6.827 11.622 -6.100 1.00 0.00 C ATOM 372 O ASN A 26 -6.031 12.519 -6.374 1.00 0.00 O ATOM 373 CB ASN A 26 -7.911 12.280 -3.943 1.00 0.00 C ATOM 374 CG ASN A 26 -7.220 11.159 -3.192 1.00 0.00 C ATOM 375 OD1 ASN A 26 -7.113 10.037 -3.690 1.00 0.00 O ATOM 376 ND2 ASN A 26 -6.747 11.456 -1.988 1.00 0.00 N ATOM 0 H ASN A 26 -9.043 10.161 -4.739 1.00 0.00 H new ATOM 0 HA ASN A 26 -8.605 12.793 -5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.305 13.184 -3.880 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.864 12.501 -3.463 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.272 10.742 -1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.858 12.399 -1.615 1.00 0.00 H new ATOM 383 N GLY A 27 -6.596 10.342 -6.375 1.00 0.00 N ATOM 384 CA GLY A 27 -5.366 9.933 -7.027 1.00 0.00 C ATOM 385 C GLY A 27 -4.200 9.846 -6.062 1.00 0.00 C ATOM 386 O GLY A 27 -3.041 9.851 -6.477 1.00 0.00 O ATOM 0 H GLY A 27 -7.239 9.581 -6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.515 8.963 -7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.126 10.641 -7.820 1.00 0.00 H new ATOM 390 N TYR A 28 -4.506 9.768 -4.772 1.00 0.00 N ATOM 391 CA TYR A 28 -3.475 9.684 -3.746 1.00 0.00 C ATOM 392 C TYR A 28 -3.747 8.524 -2.792 1.00 0.00 C ATOM 393 O TYR A 28 -4.900 8.174 -2.538 1.00 0.00 O ATOM 394 CB TYR A 28 -3.399 10.996 -2.962 1.00 0.00 C ATOM 395 CG TYR A 28 -2.684 12.103 -3.703 1.00 0.00 C ATOM 396 CD1 TYR A 28 -3.386 13.183 -4.224 1.00 0.00 C ATOM 397 CD2 TYR A 28 -1.307 12.070 -3.883 1.00 0.00 C ATOM 398 CE1 TYR A 28 -2.738 14.197 -4.902 1.00 0.00 C ATOM 399 CE2 TYR A 28 -0.650 13.080 -4.559 1.00 0.00 C ATOM 400 CZ TYR A 28 -1.370 14.141 -5.067 1.00 0.00 C ATOM 401 OH TYR A 28 -0.719 15.148 -5.742 1.00 0.00 O ATOM 0 H TYR A 28 -5.460 9.761 -4.412 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.520 9.507 -4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.410 11.325 -2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.889 10.815 -2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.457 13.230 -4.097 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.740 11.240 -3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.299 15.029 -5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.421 13.039 -4.689 1.00 0.00 H new ATOM 0 HH TYR A 28 0.242 14.956 -5.769 1.00 0.00 H new ATOM 411 N ILE A 29 -2.678 7.934 -2.269 1.00 0.00 N ATOM 412 CA ILE A 29 -2.800 6.815 -1.343 1.00 0.00 C ATOM 413 C ILE A 29 -1.953 7.039 -0.095 1.00 0.00 C ATOM 414 O ILE A 29 -0.736 7.211 -0.181 1.00 0.00 O ATOM 415 CB ILE A 29 -2.382 5.489 -2.003 1.00 0.00 C ATOM 416 CG1 ILE A 29 -3.329 5.146 -3.155 1.00 0.00 C ATOM 417 CG2 ILE A 29 -2.360 4.368 -0.975 1.00 0.00 C ATOM 418 CD1 ILE A 29 -3.070 3.786 -3.765 1.00 0.00 C ATOM 0 H ILE A 29 -1.718 8.212 -2.471 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.851 6.754 -1.060 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.376 5.603 -2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.357 5.183 -2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.236 5.907 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.063 3.437 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.648 4.611 -0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.354 4.251 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.778 3.610 -4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.054 3.751 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.192 3.016 -3.003 1.00 0.00 H new ATOM 430 N SER A 30 -2.602 7.034 1.064 1.00 0.00 N ATOM 431 CA SER A 30 -1.908 7.237 2.330 1.00 0.00 C ATOM 432 C SER A 30 -1.605 5.902 3.005 1.00 0.00 C ATOM 433 O SER A 30 -1.988 4.842 2.510 1.00 0.00 O ATOM 434 CB SER A 30 -2.749 8.113 3.262 1.00 0.00 C ATOM 435 OG SER A 30 -3.927 7.439 3.670 1.00 0.00 O ATOM 0 H SER A 30 -3.608 6.892 1.153 1.00 0.00 H new ATOM 0 HA SER A 30 -0.964 7.741 2.121 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.161 8.387 4.138 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.014 9.040 2.754 1.00 0.00 H new ATOM 0 HG SER A 30 -4.446 8.019 4.266 1.00 0.00 H new ATOM 441 N PHE A 31 -0.913 5.964 4.138 1.00 0.00 N ATOM 442 CA PHE A 31 -0.557 4.760 4.881 1.00 0.00 C ATOM 443 C PHE A 31 -1.805 4.035 5.374 1.00 0.00 C ATOM 444 O PHE A 31 -1.788 2.824 5.590 1.00 0.00 O ATOM 445 CB PHE A 31 0.342 5.116 6.067 1.00 0.00 C ATOM 446 CG PHE A 31 0.345 4.075 7.150 1.00 0.00 C ATOM 447 CD1 PHE A 31 -0.565 4.139 8.194 1.00 0.00 C ATOM 448 CD2 PHE A 31 1.258 3.033 7.126 1.00 0.00 C ATOM 449 CE1 PHE A 31 -0.566 3.183 9.191 1.00 0.00 C ATOM 450 CE2 PHE A 31 1.262 2.075 8.121 1.00 0.00 C ATOM 451 CZ PHE A 31 0.350 2.149 9.156 1.00 0.00 C ATOM 0 H PHE A 31 -0.588 6.833 4.561 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.015 4.095 4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.362 5.260 5.710 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.015 6.066 6.488 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.282 4.946 8.228 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.974 2.969 6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.282 3.244 9.997 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.979 1.268 8.090 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.353 1.401 9.935 1.00 0.00 H new ATOM 461 N ASN A 32 -2.888 4.786 5.550 1.00 0.00 N ATOM 462 CA ASN A 32 -4.146 4.216 6.018 1.00 0.00 C ATOM 463 C ASN A 32 -4.759 3.307 4.958 1.00 0.00 C ATOM 464 O ASN A 32 -5.133 2.170 5.242 1.00 0.00 O ATOM 465 CB ASN A 32 -5.129 5.329 6.384 1.00 0.00 C ATOM 466 CG ASN A 32 -6.176 4.871 7.381 1.00 0.00 C ATOM 467 OD1 ASN A 32 -6.118 3.751 7.889 1.00 0.00 O ATOM 468 ND2 ASN A 32 -7.140 5.738 7.667 1.00 0.00 N ATOM 0 H ASN A 32 -2.919 5.790 5.375 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.938 3.619 6.906 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.579 6.173 6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.623 5.685 5.480 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.872 5.486 8.332 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.149 6.656 7.222 1.00 0.00 H new ATOM 475 N GLU A 33 -4.859 3.818 3.734 1.00 0.00 N ATOM 476 CA GLU A 33 -5.429 3.053 2.632 1.00 0.00 C ATOM 477 C GLU A 33 -4.563 1.838 2.308 1.00 0.00 C ATOM 478 O GLU A 33 -5.073 0.740 2.084 1.00 0.00 O ATOM 479 CB GLU A 33 -5.571 3.935 1.389 1.00 0.00 C ATOM 480 CG GLU A 33 -6.101 5.328 1.690 1.00 0.00 C ATOM 481 CD GLU A 33 -7.247 5.726 0.780 1.00 0.00 C ATOM 482 OE1 GLU A 33 -8.105 6.518 1.221 1.00 0.00 O ATOM 483 OE2 GLU A 33 -7.285 5.246 -0.371 1.00 0.00 O ATOM 0 H GLU A 33 -4.553 4.758 3.482 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.416 2.705 2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.600 4.022 0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.240 3.446 0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.434 5.370 2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.292 6.051 1.586 1.00 0.00 H new ATOM 490 N LEU A 34 -3.251 2.044 2.287 1.00 0.00 N ATOM 491 CA LEU A 34 -2.312 0.967 1.991 1.00 0.00 C ATOM 492 C LEU A 34 -2.405 -0.139 3.038 1.00 0.00 C ATOM 493 O LEU A 34 -2.746 -1.278 2.722 1.00 0.00 O ATOM 494 CB LEU A 34 -0.883 1.510 1.932 1.00 0.00 C ATOM 495 CG LEU A 34 0.120 0.677 1.132 1.00 0.00 C ATOM 496 CD1 LEU A 34 -0.369 0.480 -0.295 1.00 0.00 C ATOM 497 CD2 LEU A 34 1.490 1.338 1.142 1.00 0.00 C ATOM 0 H LEU A 34 -2.813 2.947 2.471 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.574 0.547 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.914 2.513 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.511 1.609 2.952 1.00 0.00 H new ATOM 0 HG LEU A 34 0.208 -0.302 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.357 -0.115 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.328 -0.037 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.486 1.451 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.191 0.732 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.419 2.330 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.844 1.427 2.169 1.00 0.00 H new ATOM 509 N ASN A 35 -2.101 0.207 4.284 1.00 0.00 N ATOM 510 CA ASN A 35 -2.151 -0.757 5.378 1.00 0.00 C ATOM 511 C ASN A 35 -3.498 -1.473 5.410 1.00 0.00 C ATOM 512 O ASN A 35 -3.558 -2.699 5.509 1.00 0.00 O ATOM 513 CB ASN A 35 -1.904 -0.055 6.715 1.00 0.00 C ATOM 514 CG ASN A 35 -2.164 -0.963 7.901 1.00 0.00 C ATOM 515 OD1 ASN A 35 -1.251 -1.609 8.416 1.00 0.00 O ATOM 516 ND2 ASN A 35 -3.415 -1.015 8.342 1.00 0.00 N ATOM 0 H ASN A 35 -1.818 1.147 4.562 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.368 -1.498 5.213 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.874 0.300 6.751 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.546 0.823 6.785 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.651 -1.607 9.138 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.140 -0.462 7.885 1.00 0.00 H new ATOM 523 N ASP A 36 -4.575 -0.700 5.325 1.00 0.00 N ATOM 524 CA ASP A 36 -5.922 -1.261 5.342 1.00 0.00 C ATOM 525 C ASP A 36 -6.142 -2.183 4.147 1.00 0.00 C ATOM 526 O ASP A 36 -6.705 -3.269 4.282 1.00 0.00 O ATOM 527 CB ASP A 36 -6.963 -0.141 5.338 1.00 0.00 C ATOM 528 CG ASP A 36 -8.340 -0.628 5.747 1.00 0.00 C ATOM 529 OD1 ASP A 36 -9.249 0.215 5.893 1.00 0.00 O ATOM 530 OD2 ASP A 36 -8.507 -1.854 5.920 1.00 0.00 O ATOM 0 H ASP A 36 -4.542 0.316 5.244 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.034 -1.847 6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.644 0.650 6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.017 0.297 4.341 1.00 0.00 H new ATOM 535 N LEU A 37 -5.695 -1.742 2.977 1.00 0.00 N ATOM 536 CA LEU A 37 -5.844 -2.526 1.756 1.00 0.00 C ATOM 537 C LEU A 37 -5.168 -3.887 1.897 1.00 0.00 C ATOM 538 O LEU A 37 -5.680 -4.898 1.416 1.00 0.00 O ATOM 539 CB LEU A 37 -5.250 -1.770 0.565 1.00 0.00 C ATOM 540 CG LEU A 37 -5.412 -2.438 -0.801 1.00 0.00 C ATOM 541 CD1 LEU A 37 -4.298 -3.444 -1.039 1.00 0.00 C ATOM 542 CD2 LEU A 37 -6.773 -3.112 -0.908 1.00 0.00 C ATOM 0 H LEU A 37 -5.226 -0.845 2.848 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.908 -2.685 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.709 -0.782 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.186 -1.619 0.750 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.349 -1.668 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.430 -3.909 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.335 -2.935 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.329 -4.211 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.870 -3.582 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.866 -3.870 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.559 -2.367 -0.784 1.00 0.00 H new ATOM 554 N PHE A 38 -4.018 -3.904 2.562 1.00 0.00 N ATOM 555 CA PHE A 38 -3.274 -5.141 2.768 1.00 0.00 C ATOM 556 C PHE A 38 -3.952 -6.014 3.819 1.00 0.00 C ATOM 557 O PHE A 38 -3.952 -7.242 3.717 1.00 0.00 O ATOM 558 CB PHE A 38 -1.837 -4.831 3.195 1.00 0.00 C ATOM 559 CG PHE A 38 -1.066 -4.040 2.177 1.00 0.00 C ATOM 560 CD1 PHE A 38 -1.565 -3.863 0.896 1.00 0.00 C ATOM 561 CD2 PHE A 38 0.157 -3.474 2.500 1.00 0.00 C ATOM 562 CE1 PHE A 38 -0.858 -3.135 -0.043 1.00 0.00 C ATOM 563 CE2 PHE A 38 0.867 -2.746 1.566 1.00 0.00 C ATOM 564 CZ PHE A 38 0.360 -2.577 0.292 1.00 0.00 C ATOM 0 H PHE A 38 -3.581 -3.076 2.967 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.256 -5.687 1.825 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.857 -4.278 4.134 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.314 -5.768 3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.516 -4.298 0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.559 -3.604 3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.258 -3.003 -1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.818 -2.309 1.831 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.915 -2.010 -0.440 1.00 0.00 H new ATOM 574 N LYS A 39 -4.528 -5.374 4.830 1.00 0.00 N ATOM 575 CA LYS A 39 -5.211 -6.091 5.901 1.00 0.00 C ATOM 576 C LYS A 39 -6.519 -6.695 5.403 1.00 0.00 C ATOM 577 O LYS A 39 -6.871 -7.819 5.761 1.00 0.00 O ATOM 578 CB LYS A 39 -5.486 -5.151 7.077 1.00 0.00 C ATOM 579 CG LYS A 39 -4.934 -5.654 8.399 1.00 0.00 C ATOM 580 CD LYS A 39 -4.312 -4.528 9.209 1.00 0.00 C ATOM 581 CE LYS A 39 -5.108 -4.245 10.474 1.00 0.00 C ATOM 582 NZ LYS A 39 -4.429 -3.247 11.345 1.00 0.00 N ATOM 0 H LYS A 39 -4.536 -4.359 4.931 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.561 -6.900 6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.053 -4.175 6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.562 -5.008 7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.734 -6.119 8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.186 -6.425 8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.288 -4.792 9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.262 -3.625 8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.099 -3.878 10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.251 -5.173 11.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.968 -3.132 12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.468 -3.577 11.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.376 -2.334 10.850 1.00 0.00 H new ATOM 596 N ALA A 40 -7.237 -5.943 4.574 1.00 0.00 N ATOM 597 CA ALA A 40 -8.505 -6.407 4.025 1.00 0.00 C ATOM 598 C ALA A 40 -8.316 -7.684 3.213 1.00 0.00 C ATOM 599 O ALA A 40 -9.267 -8.433 2.988 1.00 0.00 O ATOM 600 CB ALA A 40 -9.135 -5.321 3.165 1.00 0.00 C ATOM 0 H ALA A 40 -6.962 -5.010 4.268 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.174 -6.631 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.081 -5.680 2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.313 -4.434 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.462 -5.070 2.345 1.00 0.00 H new ATOM 606 N ALA A 41 -7.085 -7.926 2.776 1.00 0.00 N ATOM 607 CA ALA A 41 -6.773 -9.114 1.991 1.00 0.00 C ATOM 608 C ALA A 41 -7.176 -10.384 2.732 1.00 0.00 C ATOM 609 O ALA A 41 -7.498 -11.399 2.114 1.00 0.00 O ATOM 610 CB ALA A 41 -5.291 -9.147 1.650 1.00 0.00 C ATOM 0 H ALA A 41 -6.287 -7.315 2.952 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.347 -9.068 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.072 -10.039 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.031 -8.260 1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.706 -9.165 2.570 1.00 0.00 H new ATOM 616 N CYS A 42 -7.155 -10.320 4.059 1.00 0.00 N ATOM 617 CA CYS A 42 -7.517 -11.467 4.886 1.00 0.00 C ATOM 618 C CYS A 42 -6.621 -12.662 4.577 1.00 0.00 C ATOM 619 O CYS A 42 -7.079 -13.673 4.042 1.00 0.00 O ATOM 620 CB CYS A 42 -8.983 -11.840 4.662 1.00 0.00 C ATOM 621 SG CYS A 42 -10.160 -10.643 5.330 1.00 0.00 S ATOM 0 H CYS A 42 -6.891 -9.487 4.585 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.376 -11.191 5.931 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.160 -11.948 3.592 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.173 -12.812 5.117 1.00 0.00 H new ATOM 0 HG CYS A 42 -10.110 -9.548 4.631 1.00 0.00 H new ATOM 627 N LEU A 43 -5.343 -12.541 4.918 1.00 0.00 N ATOM 628 CA LEU A 43 -4.382 -13.611 4.678 1.00 0.00 C ATOM 629 C LEU A 43 -3.810 -14.135 5.991 1.00 0.00 C ATOM 630 O LEU A 43 -3.840 -13.462 7.021 1.00 0.00 O ATOM 631 CB LEU A 43 -3.250 -13.115 3.777 1.00 0.00 C ATOM 632 CG LEU A 43 -3.530 -13.138 2.273 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.733 -14.566 1.791 1.00 0.00 C ATOM 634 CD2 LEU A 43 -4.743 -12.282 1.943 1.00 0.00 C ATOM 0 H LEU A 43 -4.948 -11.712 5.362 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.903 -14.428 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.005 -12.093 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.366 -13.722 3.971 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.667 -12.721 1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.931 -14.564 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.835 -15.149 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.579 -15.010 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.927 -12.310 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.615 -12.668 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.557 -11.253 2.252 1.00 0.00 H new ATOM 646 N PRO A 44 -3.273 -15.364 5.955 1.00 0.00 N ATOM 647 CA PRO A 44 -2.681 -16.004 7.134 1.00 0.00 C ATOM 648 C PRO A 44 -1.376 -15.341 7.558 1.00 0.00 C ATOM 649 O PRO A 44 -0.291 -15.868 7.311 1.00 0.00 O ATOM 650 CB PRO A 44 -2.425 -17.439 6.666 1.00 0.00 C ATOM 651 CG PRO A 44 -2.288 -17.337 5.186 1.00 0.00 C ATOM 652 CD PRO A 44 -3.205 -16.224 4.761 1.00 0.00 C ATOM 0 HA PRO A 44 -3.331 -15.935 8.006 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.522 -17.848 7.120 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.248 -18.098 6.943 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.257 -17.123 4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.563 -18.275 4.703 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.811 -15.685 3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.189 -16.599 4.479 1.00 0.00 H new ATOM 660 N LEU A 45 -1.488 -14.183 8.200 1.00 0.00 N ATOM 661 CA LEU A 45 -0.315 -13.447 8.660 1.00 0.00 C ATOM 662 C LEU A 45 -0.643 -12.622 9.900 1.00 0.00 C ATOM 663 O LEU A 45 -1.783 -12.214 10.121 1.00 0.00 O ATOM 664 CB LEU A 45 0.208 -12.535 7.550 1.00 0.00 C ATOM 665 CG LEU A 45 0.618 -13.228 6.250 1.00 0.00 C ATOM 666 CD1 LEU A 45 0.863 -12.203 5.153 1.00 0.00 C ATOM 667 CD2 LEU A 45 1.859 -14.083 6.470 1.00 0.00 C ATOM 0 H LEU A 45 -2.378 -13.734 8.414 1.00 0.00 H new ATOM 0 HA LEU A 45 0.458 -14.170 8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.562 -11.799 7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.069 -11.986 7.933 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.197 -13.879 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.154 -12.715 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.049 -11.633 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.660 -11.526 5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.137 -14.569 5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.680 -13.452 6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.649 -14.841 7.224 1.00 0.00 H new ATOM 679 N PRO A 46 0.381 -12.366 10.729 1.00 0.00 N ATOM 680 CA PRO A 46 0.227 -11.583 11.959 1.00 0.00 C ATOM 681 C PRO A 46 -0.043 -10.109 11.679 1.00 0.00 C ATOM 682 O PRO A 46 -0.298 -9.720 10.540 1.00 0.00 O ATOM 683 CB PRO A 46 1.576 -11.756 12.660 1.00 0.00 C ATOM 684 CG PRO A 46 2.540 -12.048 11.562 1.00 0.00 C ATOM 685 CD PRO A 46 1.768 -12.820 10.528 1.00 0.00 C ATOM 0 HA PRO A 46 -0.624 -11.919 12.552 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.858 -10.855 13.204 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.544 -12.569 13.385 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.943 -11.127 11.141 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.387 -12.627 11.930 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.120 -12.603 9.519 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.864 -13.896 10.675 1.00 0.00 H new ATOM 693 N GLY A 47 0.015 -9.292 12.725 1.00 0.00 N ATOM 694 CA GLY A 47 -0.225 -7.869 12.571 1.00 0.00 C ATOM 695 C GLY A 47 1.024 -7.111 12.166 1.00 0.00 C ATOM 696 O GLY A 47 0.984 -6.266 11.272 1.00 0.00 O ATOM 0 H GLY A 47 0.224 -9.590 13.678 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.000 -7.713 11.821 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.604 -7.464 13.509 1.00 0.00 H new ATOM 700 N TYR A 48 2.137 -7.412 12.826 1.00 0.00 N ATOM 701 CA TYR A 48 3.402 -6.750 12.533 1.00 0.00 C ATOM 702 C TYR A 48 3.813 -6.977 11.081 1.00 0.00 C ATOM 703 O TYR A 48 4.455 -6.126 10.466 1.00 0.00 O ATOM 704 CB TYR A 48 4.498 -7.260 13.471 1.00 0.00 C ATOM 705 CG TYR A 48 5.183 -8.514 12.977 1.00 0.00 C ATOM 706 CD1 TYR A 48 4.652 -9.770 13.244 1.00 0.00 C ATOM 707 CD2 TYR A 48 6.360 -8.444 12.243 1.00 0.00 C ATOM 708 CE1 TYR A 48 5.274 -10.919 12.794 1.00 0.00 C ATOM 709 CE2 TYR A 48 6.989 -9.586 11.789 1.00 0.00 C ATOM 710 CZ TYR A 48 6.442 -10.821 12.067 1.00 0.00 C ATOM 711 OH TYR A 48 7.065 -11.963 11.617 1.00 0.00 O ATOM 0 H TYR A 48 2.188 -8.110 13.568 1.00 0.00 H new ATOM 0 HA TYR A 48 3.267 -5.680 12.690 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.244 -6.477 13.604 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.063 -7.456 14.451 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.737 -9.850 13.813 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.791 -7.478 12.023 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.848 -11.888 13.010 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.904 -9.513 11.220 1.00 0.00 H new ATOM 0 HH TYR A 48 7.875 -11.720 11.121 1.00 0.00 H new ATOM 721 N ARG A 49 3.437 -8.132 10.542 1.00 0.00 N ATOM 722 CA ARG A 49 3.766 -8.473 9.163 1.00 0.00 C ATOM 723 C ARG A 49 3.157 -7.464 8.193 1.00 0.00 C ATOM 724 O ARG A 49 3.873 -6.762 7.480 1.00 0.00 O ATOM 725 CB ARG A 49 3.270 -9.881 8.831 1.00 0.00 C ATOM 726 CG ARG A 49 4.336 -10.954 8.978 1.00 0.00 C ATOM 727 CD ARG A 49 5.481 -10.738 8.000 1.00 0.00 C ATOM 728 NE ARG A 49 5.924 -11.990 7.392 1.00 0.00 N ATOM 729 CZ ARG A 49 6.821 -12.056 6.415 1.00 0.00 C ATOM 730 NH1 ARG A 49 7.369 -10.946 5.939 1.00 0.00 N ATOM 731 NH2 ARG A 49 7.174 -13.232 5.913 1.00 0.00 N ATOM 0 H ARG A 49 2.905 -8.847 11.038 1.00 0.00 H new ATOM 0 HA ARG A 49 4.850 -8.444 9.057 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.430 -10.124 9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.894 -9.892 7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.721 -10.949 9.998 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.892 -11.935 8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.165 -10.047 7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.318 -10.271 8.519 1.00 0.00 H new ATOM 0 HE ARG A 49 5.522 -12.862 7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.102 -10.040 6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.058 -10.999 5.189 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.756 -14.088 6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.863 -13.280 5.163 1.00 0.00 H new ATOM 745 N VAL A 50 1.829 -7.400 8.173 1.00 0.00 N ATOM 746 CA VAL A 50 1.122 -6.478 7.292 1.00 0.00 C ATOM 747 C VAL A 50 1.549 -5.037 7.547 1.00 0.00 C ATOM 748 O VAL A 50 1.712 -4.251 6.613 1.00 0.00 O ATOM 749 CB VAL A 50 -0.403 -6.589 7.469 1.00 0.00 C ATOM 750 CG1 VAL A 50 -0.785 -6.412 8.931 1.00 0.00 C ATOM 751 CG2 VAL A 50 -1.117 -5.568 6.596 1.00 0.00 C ATOM 0 H VAL A 50 1.222 -7.975 8.757 1.00 0.00 H new ATOM 0 HA VAL A 50 1.382 -6.756 6.271 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.716 -7.584 7.154 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.867 -6.494 9.037 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.303 -7.185 9.529 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.460 -5.430 9.276 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.194 -5.661 6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.801 -4.564 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.869 -5.747 5.550 1.00 0.00 H new ATOM 761 N ARG A 51 1.729 -4.696 8.820 1.00 0.00 N ATOM 762 CA ARG A 51 2.137 -3.349 9.198 1.00 0.00 C ATOM 763 C ARG A 51 3.552 -3.052 8.713 1.00 0.00 C ATOM 764 O ARG A 51 3.897 -1.902 8.443 1.00 0.00 O ATOM 765 CB ARG A 51 2.061 -3.178 10.718 1.00 0.00 C ATOM 766 CG ARG A 51 1.876 -1.737 11.160 1.00 0.00 C ATOM 767 CD ARG A 51 0.408 -1.406 11.382 1.00 0.00 C ATOM 768 NE ARG A 51 -0.036 -1.762 12.726 1.00 0.00 N ATOM 769 CZ ARG A 51 -1.210 -1.400 13.233 1.00 0.00 C ATOM 770 NH1 ARG A 51 -2.052 -0.675 12.510 1.00 0.00 N ATOM 771 NH2 ARG A 51 -1.542 -1.764 14.464 1.00 0.00 N ATOM 0 H ARG A 51 1.599 -5.334 9.605 1.00 0.00 H new ATOM 0 HA ARG A 51 1.454 -2.644 8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.234 -3.776 11.101 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.973 -3.572 11.165 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.432 -1.564 12.081 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.291 -1.068 10.406 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.248 -0.340 11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.198 -1.936 10.648 1.00 0.00 H new ATOM 0 HE ARG A 51 0.589 -2.319 13.308 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.799 -0.394 11.563 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.952 -0.398 12.901 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.896 -2.322 15.022 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.443 -1.486 14.853 1.00 0.00 H new ATOM 785 N GLU A 52 4.368 -4.097 8.606 1.00 0.00 N ATOM 786 CA GLU A 52 5.745 -3.946 8.155 1.00 0.00 C ATOM 787 C GLU A 52 5.801 -3.685 6.652 1.00 0.00 C ATOM 788 O GLU A 52 6.429 -2.728 6.200 1.00 0.00 O ATOM 789 CB GLU A 52 6.557 -5.198 8.496 1.00 0.00 C ATOM 790 CG GLU A 52 7.459 -5.028 9.706 1.00 0.00 C ATOM 791 CD GLU A 52 8.043 -6.342 10.188 1.00 0.00 C ATOM 792 OE1 GLU A 52 7.662 -7.397 9.639 1.00 0.00 O ATOM 793 OE2 GLU A 52 8.880 -6.315 11.114 1.00 0.00 O ATOM 0 H GLU A 52 4.098 -5.056 8.826 1.00 0.00 H new ATOM 0 HA GLU A 52 6.177 -3.089 8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.872 -6.026 8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.167 -5.471 7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.270 -4.344 9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.892 -4.568 10.515 1.00 0.00 H new ATOM 800 N ILE A 53 5.139 -4.544 5.883 1.00 0.00 N ATOM 801 CA ILE A 53 5.112 -4.406 4.432 1.00 0.00 C ATOM 802 C ILE A 53 4.515 -3.065 4.019 1.00 0.00 C ATOM 803 O ILE A 53 5.002 -2.417 3.092 1.00 0.00 O ATOM 804 CB ILE A 53 4.303 -5.540 3.775 1.00 0.00 C ATOM 805 CG1 ILE A 53 2.903 -5.620 4.387 1.00 0.00 C ATOM 806 CG2 ILE A 53 5.031 -6.868 3.928 1.00 0.00 C ATOM 807 CD1 ILE A 53 2.061 -6.743 3.824 1.00 0.00 C ATOM 0 H ILE A 53 4.615 -5.342 6.241 1.00 0.00 H new ATOM 0 HA ILE A 53 6.145 -4.462 4.089 1.00 0.00 H new ATOM 0 HB ILE A 53 4.201 -5.324 2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.994 -5.750 5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.389 -4.673 4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.447 -7.659 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.008 -6.805 3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.161 -7.092 4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.082 -6.739 4.303 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.939 -6.603 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.554 -7.697 4.012 1.00 0.00 H new ATOM 819 N THR A 54 3.459 -2.654 4.713 1.00 0.00 N ATOM 820 CA THR A 54 2.795 -1.391 4.419 1.00 0.00 C ATOM 821 C THR A 54 3.647 -0.207 4.864 1.00 0.00 C ATOM 822 O THR A 54 3.666 0.835 4.210 1.00 0.00 O ATOM 823 CB THR A 54 1.419 -1.306 5.104 1.00 0.00 C ATOM 824 OG1 THR A 54 0.697 -0.170 4.614 1.00 0.00 O ATOM 825 CG2 THR A 54 1.571 -1.203 6.614 1.00 0.00 C ATOM 0 H THR A 54 3.045 -3.178 5.484 1.00 0.00 H new ATOM 0 HA THR A 54 2.656 -1.350 3.339 1.00 0.00 H new ATOM 0 HB THR A 54 0.866 -2.216 4.872 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.768 0.565 5.258 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.585 -1.144 7.076 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.095 -2.083 6.988 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.142 -0.308 6.862 1.00 0.00 H new ATOM 833 N GLU A 55 4.349 -0.375 5.980 1.00 0.00 N ATOM 834 CA GLU A 55 5.202 0.682 6.512 1.00 0.00 C ATOM 835 C GLU A 55 6.383 0.947 5.582 1.00 0.00 C ATOM 836 O GLU A 55 6.736 2.095 5.322 1.00 0.00 O ATOM 837 CB GLU A 55 5.709 0.305 7.905 1.00 0.00 C ATOM 838 CG GLU A 55 4.801 0.774 9.030 1.00 0.00 C ATOM 839 CD GLU A 55 5.297 0.346 10.397 1.00 0.00 C ATOM 840 OE1 GLU A 55 4.818 0.907 11.405 1.00 0.00 O ATOM 841 OE2 GLU A 55 6.165 -0.550 10.461 1.00 0.00 O ATOM 0 H GLU A 55 4.344 -1.232 6.533 1.00 0.00 H new ATOM 0 HA GLU A 55 4.608 1.593 6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.816 -0.778 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.702 0.731 8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.723 1.861 9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.798 0.378 8.871 1.00 0.00 H new ATOM 848 N ASN A 56 6.990 -0.127 5.087 1.00 0.00 N ATOM 849 CA ASN A 56 8.133 -0.012 4.188 1.00 0.00 C ATOM 850 C ASN A 56 7.703 0.535 2.830 1.00 0.00 C ATOM 851 O ASN A 56 8.322 1.457 2.295 1.00 0.00 O ATOM 852 CB ASN A 56 8.809 -1.373 4.011 1.00 0.00 C ATOM 853 CG ASN A 56 9.698 -1.734 5.185 1.00 0.00 C ATOM 854 OD1 ASN A 56 9.821 -0.970 6.143 1.00 0.00 O ATOM 855 ND2 ASN A 56 10.323 -2.904 5.116 1.00 0.00 N ATOM 0 H ASN A 56 6.710 -1.086 5.293 1.00 0.00 H new ATOM 0 HA ASN A 56 8.844 0.684 4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.046 -2.141 3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.404 -1.364 3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.934 -3.201 5.876 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.192 -3.505 4.303 1.00 0.00 H new ATOM 862 N LEU A 57 6.640 -0.038 2.277 1.00 0.00 N ATOM 863 CA LEU A 57 6.127 0.393 0.981 1.00 0.00 C ATOM 864 C LEU A 57 5.793 1.881 0.994 1.00 0.00 C ATOM 865 O LEU A 57 6.229 2.633 0.123 1.00 0.00 O ATOM 866 CB LEU A 57 4.884 -0.417 0.608 1.00 0.00 C ATOM 867 CG LEU A 57 4.650 -0.639 -0.886 1.00 0.00 C ATOM 868 CD1 LEU A 57 3.314 -1.327 -1.122 1.00 0.00 C ATOM 869 CD2 LEU A 57 4.711 0.682 -1.639 1.00 0.00 C ATOM 0 H LEU A 57 6.117 -0.802 2.705 1.00 0.00 H new ATOM 0 HA LEU A 57 6.903 0.221 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.951 -1.391 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.010 0.086 1.021 1.00 0.00 H new ATOM 0 HG LEU A 57 5.441 -1.287 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.166 -1.476 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.308 -2.293 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.510 -0.706 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.542 0.504 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.943 1.354 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.692 1.136 -1.499 1.00 0.00 H new ATOM 881 N MET A 58 5.018 2.299 1.990 1.00 0.00 N ATOM 882 CA MET A 58 4.629 3.699 2.118 1.00 0.00 C ATOM 883 C MET A 58 5.844 4.578 2.395 1.00 0.00 C ATOM 884 O MET A 58 5.960 5.679 1.859 1.00 0.00 O ATOM 885 CB MET A 58 3.600 3.864 3.239 1.00 0.00 C ATOM 886 CG MET A 58 2.492 4.848 2.906 1.00 0.00 C ATOM 887 SD MET A 58 3.101 6.531 2.682 1.00 0.00 S ATOM 888 CE MET A 58 1.586 7.386 2.256 1.00 0.00 C ATOM 0 H MET A 58 4.648 1.689 2.719 1.00 0.00 H new ATOM 0 HA MET A 58 4.183 4.014 1.175 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.158 2.893 3.461 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.110 4.196 4.143 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.986 4.525 1.996 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.750 4.838 3.704 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.793 8.135 1.492 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.859 6.669 1.874 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.182 7.875 3.143 1.00 0.00 H new ATOM 898 N ALA A 59 6.747 4.084 3.234 1.00 0.00 N ATOM 899 CA ALA A 59 7.955 4.824 3.581 1.00 0.00 C ATOM 900 C ALA A 59 8.834 5.044 2.354 1.00 0.00 C ATOM 901 O ALA A 59 9.392 6.124 2.162 1.00 0.00 O ATOM 902 CB ALA A 59 8.731 4.092 4.666 1.00 0.00 C ATOM 0 H ALA A 59 6.666 3.174 3.687 1.00 0.00 H new ATOM 0 HA ALA A 59 7.656 5.801 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.630 4.656 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.108 3.993 5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.012 3.102 4.307 1.00 0.00 H new ATOM 908 N THR A 60 8.956 4.011 1.527 1.00 0.00 N ATOM 909 CA THR A 60 9.771 4.089 0.320 1.00 0.00 C ATOM 910 C THR A 60 8.929 4.494 -0.884 1.00 0.00 C ATOM 911 O THR A 60 9.411 4.501 -2.017 1.00 0.00 O ATOM 912 CB THR A 60 10.463 2.746 0.021 1.00 0.00 C ATOM 913 OG1 THR A 60 11.408 2.909 -1.042 1.00 0.00 O ATOM 914 CG2 THR A 60 9.441 1.684 -0.361 1.00 0.00 C ATOM 0 H THR A 60 8.501 3.110 1.671 1.00 0.00 H new ATOM 0 HA THR A 60 10.532 4.848 0.500 1.00 0.00 H new ATOM 0 HB THR A 60 10.982 2.421 0.922 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.034 3.505 -1.724 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.953 0.744 -0.568 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.739 1.542 0.461 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.898 2.005 -1.250 1.00 0.00 H new ATOM 922 N GLY A 61 7.668 4.833 -0.633 1.00 0.00 N ATOM 923 CA GLY A 61 6.780 5.236 -1.708 1.00 0.00 C ATOM 924 C GLY A 61 6.451 6.715 -1.665 1.00 0.00 C ATOM 925 O GLY A 61 5.857 7.253 -2.599 1.00 0.00 O ATOM 0 H GLY A 61 7.246 4.836 0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.243 4.998 -2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.857 4.660 -1.648 1.00 0.00 H new ATOM 929 N ASP A 62 6.834 7.373 -0.577 1.00 0.00 N ATOM 930 CA ASP A 62 6.576 8.800 -0.415 1.00 0.00 C ATOM 931 C ASP A 62 7.854 9.609 -0.615 1.00 0.00 C ATOM 932 O ASP A 62 8.761 9.573 0.217 1.00 0.00 O ATOM 933 CB ASP A 62 5.992 9.079 0.971 1.00 0.00 C ATOM 934 CG ASP A 62 4.942 10.172 0.946 1.00 0.00 C ATOM 935 OD1 ASP A 62 5.252 11.283 0.465 1.00 0.00 O ATOM 936 OD2 ASP A 62 3.809 9.917 1.405 1.00 0.00 O ATOM 0 H ASP A 62 7.324 6.942 0.207 1.00 0.00 H new ATOM 0 HA ASP A 62 5.854 9.103 -1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.551 8.164 1.367 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.795 9.366 1.650 1.00 0.00 H new ATOM 941 N LEU A 63 7.918 10.338 -1.723 1.00 0.00 N ATOM 942 CA LEU A 63 9.086 11.156 -2.034 1.00 0.00 C ATOM 943 C LEU A 63 9.065 12.458 -1.238 1.00 0.00 C ATOM 944 O LEU A 63 10.030 12.793 -0.550 1.00 0.00 O ATOM 945 CB LEU A 63 9.135 11.463 -3.532 1.00 0.00 C ATOM 946 CG LEU A 63 8.693 10.333 -4.461 1.00 0.00 C ATOM 947 CD1 LEU A 63 8.925 10.716 -5.915 1.00 0.00 C ATOM 948 CD2 LEU A 63 9.428 9.045 -4.124 1.00 0.00 C ATOM 0 H LEU A 63 7.176 10.380 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 63 9.977 10.594 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.507 12.333 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.156 11.743 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 63 7.626 10.167 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.604 9.899 -6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.352 11.612 -6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.985 10.911 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.100 8.252 -4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.501 9.198 -4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.211 8.761 -3.094 1.00 0.00 H new ATOM 960 N ASP A 64 7.959 13.186 -1.333 1.00 0.00 N ATOM 961 CA ASP A 64 7.810 14.450 -0.620 1.00 0.00 C ATOM 962 C ASP A 64 7.641 14.211 0.877 1.00 0.00 C ATOM 963 O ASP A 64 7.798 15.128 1.683 1.00 0.00 O ATOM 964 CB ASP A 64 6.613 15.230 -1.164 1.00 0.00 C ATOM 965 CG ASP A 64 6.701 15.458 -2.660 1.00 0.00 C ATOM 966 OD1 ASP A 64 7.162 16.543 -3.069 1.00 0.00 O ATOM 967 OD2 ASP A 64 6.310 14.548 -3.422 1.00 0.00 O ATOM 0 H ASP A 64 7.151 12.923 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 64 8.715 15.037 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.696 14.687 -0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.549 16.192 -0.656 1.00 0.00 H new ATOM 972 N GLN A 65 7.317 12.975 1.241 1.00 0.00 N ATOM 973 CA GLN A 65 7.124 12.617 2.642 1.00 0.00 C ATOM 974 C GLN A 65 5.941 13.373 3.239 1.00 0.00 C ATOM 975 O GLN A 65 6.042 13.945 4.325 1.00 0.00 O ATOM 976 CB GLN A 65 8.392 12.912 3.445 1.00 0.00 C ATOM 977 CG GLN A 65 9.664 12.413 2.780 1.00 0.00 C ATOM 978 CD GLN A 65 10.916 12.823 3.532 1.00 0.00 C ATOM 979 OE1 GLN A 65 11.530 12.013 4.225 1.00 0.00 O ATOM 980 NE2 GLN A 65 11.299 14.087 3.397 1.00 0.00 N ATOM 0 H GLN A 65 7.183 12.205 0.586 1.00 0.00 H new ATOM 0 HA GLN A 65 6.911 11.549 2.692 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.471 13.988 3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.303 12.453 4.430 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.629 11.326 2.706 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.713 12.800 1.762 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.759 14.724 2.811 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.134 14.421 3.879 1.00 0.00 H new ATOM 989 N ASP A 66 4.823 13.372 2.522 1.00 0.00 N ATOM 990 CA ASP A 66 3.621 14.057 2.982 1.00 0.00 C ATOM 991 C ASP A 66 2.593 13.059 3.507 1.00 0.00 C ATOM 992 O ASP A 66 1.704 13.417 4.279 1.00 0.00 O ATOM 993 CB ASP A 66 3.013 14.884 1.846 1.00 0.00 C ATOM 994 CG ASP A 66 2.991 14.131 0.531 1.00 0.00 C ATOM 995 OD1 ASP A 66 2.913 12.885 0.561 1.00 0.00 O ATOM 996 OD2 ASP A 66 3.050 14.789 -0.529 1.00 0.00 O ATOM 0 H ASP A 66 4.724 12.905 1.621 1.00 0.00 H new ATOM 0 HA ASP A 66 3.902 14.724 3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.996 15.172 2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.584 15.805 1.725 1.00 0.00 H new ATOM 1001 N GLY A 67 2.722 11.807 3.081 1.00 0.00 N ATOM 1002 CA GLY A 67 1.796 10.777 3.518 1.00 0.00 C ATOM 1003 C GLY A 67 0.803 10.395 2.439 1.00 0.00 C ATOM 1004 O GLY A 67 -0.279 9.887 2.733 1.00 0.00 O ATOM 0 H GLY A 67 3.450 11.487 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.357 9.893 3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.256 11.128 4.397 1.00 0.00 H new ATOM 1008 N ARG A 68 1.168 10.643 1.185 1.00 0.00 N ATOM 1009 CA ARG A 68 0.299 10.325 0.059 1.00 0.00 C ATOM 1010 C ARG A 68 1.119 9.920 -1.164 1.00 0.00 C ATOM 1011 O ARG A 68 2.124 10.554 -1.486 1.00 0.00 O ATOM 1012 CB ARG A 68 -0.588 11.522 -0.283 1.00 0.00 C ATOM 1013 CG ARG A 68 0.171 12.834 -0.387 1.00 0.00 C ATOM 1014 CD ARG A 68 -0.743 13.979 -0.792 1.00 0.00 C ATOM 1015 NE ARG A 68 -0.290 15.259 -0.256 1.00 0.00 N ATOM 1016 CZ ARG A 68 -0.441 15.619 1.014 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -1.031 14.800 1.872 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -0.002 16.801 1.426 1.00 0.00 N ATOM 0 H ARG A 68 2.060 11.063 0.924 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.332 9.484 0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.094 11.329 -1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.362 11.619 0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.638 13.062 0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.974 12.733 -1.117 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.790 14.038 -1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.755 13.777 -0.440 1.00 0.00 H new ATOM 0 HE ARG A 68 0.168 15.913 -0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.370 13.891 1.558 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.146 15.079 2.846 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.452 17.434 0.768 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.118 17.077 2.401 1.00 0.00 H new ATOM 1032 N ILE A 69 0.682 8.863 -1.839 1.00 0.00 N ATOM 1033 CA ILE A 69 1.374 8.375 -3.025 1.00 0.00 C ATOM 1034 C ILE A 69 0.543 8.609 -4.283 1.00 0.00 C ATOM 1035 O ILE A 69 -0.628 8.233 -4.343 1.00 0.00 O ATOM 1036 CB ILE A 69 1.700 6.875 -2.910 1.00 0.00 C ATOM 1037 CG1 ILE A 69 2.359 6.576 -1.562 1.00 0.00 C ATOM 1038 CG2 ILE A 69 2.603 6.439 -4.054 1.00 0.00 C ATOM 1039 CD1 ILE A 69 2.750 5.125 -1.389 1.00 0.00 C ATOM 0 H ILE A 69 -0.148 8.328 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 69 2.306 8.936 -3.099 1.00 0.00 H new ATOM 0 HB ILE A 69 0.769 6.311 -2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.247 7.198 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.674 6.857 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.824 5.376 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.100 6.621 -5.004 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.532 7.007 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.211 4.987 -0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.862 4.497 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.459 4.844 -2.168 1.00 0.00 H new ATOM 1051 N SER A 70 1.156 9.229 -5.285 1.00 0.00 N ATOM 1052 CA SER A 70 0.472 9.514 -6.541 1.00 0.00 C ATOM 1053 C SER A 70 0.682 8.383 -7.543 1.00 0.00 C ATOM 1054 O SER A 70 1.538 7.518 -7.351 1.00 0.00 O ATOM 1055 CB SER A 70 0.975 10.833 -7.131 1.00 0.00 C ATOM 1056 OG SER A 70 2.274 10.685 -7.677 1.00 0.00 O ATOM 0 H SER A 70 2.126 9.544 -5.252 1.00 0.00 H new ATOM 0 HA SER A 70 -0.595 9.599 -6.334 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.288 11.174 -7.906 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.988 11.600 -6.357 1.00 0.00 H new ATOM 0 HG SER A 70 2.572 11.541 -8.049 1.00 0.00 H new ATOM 1062 N PHE A 71 -0.106 8.394 -8.612 1.00 0.00 N ATOM 1063 CA PHE A 71 -0.008 7.369 -9.645 1.00 0.00 C ATOM 1064 C PHE A 71 1.438 7.182 -10.091 1.00 0.00 C ATOM 1065 O PHE A 71 1.981 6.078 -10.030 1.00 0.00 O ATOM 1066 CB PHE A 71 -0.880 7.741 -10.846 1.00 0.00 C ATOM 1067 CG PHE A 71 -2.319 7.342 -10.688 1.00 0.00 C ATOM 1068 CD1 PHE A 71 -3.014 6.772 -11.743 1.00 0.00 C ATOM 1069 CD2 PHE A 71 -2.979 7.538 -9.486 1.00 0.00 C ATOM 1070 CE1 PHE A 71 -4.338 6.402 -11.602 1.00 0.00 C ATOM 1071 CE2 PHE A 71 -4.303 7.170 -9.338 1.00 0.00 C ATOM 1072 CZ PHE A 71 -4.984 6.603 -10.398 1.00 0.00 C ATOM 0 H PHE A 71 -0.820 9.101 -8.786 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.363 6.429 -9.223 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.825 8.818 -11.005 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.475 7.266 -11.740 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.514 6.615 -12.688 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.453 7.984 -8.655 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.867 5.956 -12.432 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.805 7.326 -8.394 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.019 6.318 -10.285 1.00 0.00 H new ATOM 1082 N ASP A 72 2.058 8.268 -10.539 1.00 0.00 N ATOM 1083 CA ASP A 72 3.442 8.225 -10.995 1.00 0.00 C ATOM 1084 C ASP A 72 4.359 7.684 -9.902 1.00 0.00 C ATOM 1085 O ASP A 72 5.268 6.901 -10.173 1.00 0.00 O ATOM 1086 CB ASP A 72 3.905 9.620 -11.421 1.00 0.00 C ATOM 1087 CG ASP A 72 3.617 9.904 -12.882 1.00 0.00 C ATOM 1088 OD1 ASP A 72 4.526 9.710 -13.716 1.00 0.00 O ATOM 1089 OD2 ASP A 72 2.480 10.319 -13.191 1.00 0.00 O ATOM 0 H ASP A 72 1.624 9.189 -10.596 1.00 0.00 H new ATOM 0 HA ASP A 72 3.494 7.555 -11.853 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.409 10.369 -10.804 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.975 9.716 -11.239 1.00 0.00 H new ATOM 1094 N GLU A 73 4.112 8.109 -8.667 1.00 0.00 N ATOM 1095 CA GLU A 73 4.917 7.668 -7.533 1.00 0.00 C ATOM 1096 C GLU A 73 4.916 6.145 -7.425 1.00 0.00 C ATOM 1097 O GLU A 73 5.961 5.504 -7.542 1.00 0.00 O ATOM 1098 CB GLU A 73 4.388 8.282 -6.234 1.00 0.00 C ATOM 1099 CG GLU A 73 5.123 9.546 -5.816 1.00 0.00 C ATOM 1100 CD GLU A 73 4.588 10.129 -4.524 1.00 0.00 C ATOM 1101 OE1 GLU A 73 5.217 9.908 -3.468 1.00 0.00 O ATOM 1102 OE2 GLU A 73 3.540 10.808 -4.567 1.00 0.00 O ATOM 0 H GLU A 73 3.362 8.757 -8.426 1.00 0.00 H new ATOM 0 HA GLU A 73 5.941 8.004 -7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.329 8.510 -6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.466 7.545 -5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.184 9.323 -5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.039 10.290 -6.608 1.00 0.00 H new ATOM 1109 N PHE A 74 3.738 5.575 -7.201 1.00 0.00 N ATOM 1110 CA PHE A 74 3.600 4.128 -7.076 1.00 0.00 C ATOM 1111 C PHE A 74 4.182 3.419 -8.296 1.00 0.00 C ATOM 1112 O PHE A 74 5.083 2.589 -8.172 1.00 0.00 O ATOM 1113 CB PHE A 74 2.128 3.747 -6.904 1.00 0.00 C ATOM 1114 CG PHE A 74 1.842 3.026 -5.618 1.00 0.00 C ATOM 1115 CD1 PHE A 74 2.571 1.903 -5.261 1.00 0.00 C ATOM 1116 CD2 PHE A 74 0.844 3.470 -4.766 1.00 0.00 C ATOM 1117 CE1 PHE A 74 2.309 1.237 -4.078 1.00 0.00 C ATOM 1118 CE2 PHE A 74 0.579 2.809 -3.582 1.00 0.00 C ATOM 1119 CZ PHE A 74 1.312 1.690 -3.238 1.00 0.00 C ATOM 0 H PHE A 74 2.864 6.092 -7.102 1.00 0.00 H new ATOM 0 HA PHE A 74 4.155 3.810 -6.194 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.520 4.650 -6.948 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.824 3.117 -7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.353 1.544 -5.914 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.266 4.343 -5.030 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.884 0.363 -3.811 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.201 3.167 -2.926 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.105 1.171 -2.314 1.00 0.00 H new ATOM 1129 N ILE A 75 3.659 3.752 -9.471 1.00 0.00 N ATOM 1130 CA ILE A 75 4.126 3.148 -10.712 1.00 0.00 C ATOM 1131 C ILE A 75 5.645 3.228 -10.825 1.00 0.00 C ATOM 1132 O ILE A 75 6.298 2.275 -11.252 1.00 0.00 O ATOM 1133 CB ILE A 75 3.495 3.827 -11.941 1.00 0.00 C ATOM 1134 CG1 ILE A 75 1.968 3.784 -11.848 1.00 0.00 C ATOM 1135 CG2 ILE A 75 3.972 3.157 -13.221 1.00 0.00 C ATOM 1136 CD1 ILE A 75 1.277 4.738 -12.796 1.00 0.00 C ATOM 0 H ILE A 75 2.912 4.436 -9.589 1.00 0.00 H new ATOM 0 HA ILE A 75 3.820 2.102 -10.688 1.00 0.00 H new ATOM 0 HB ILE A 75 3.810 4.870 -11.961 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.628 2.769 -12.055 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.668 4.019 -10.827 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.517 3.649 -14.081 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.057 3.236 -13.290 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.685 2.106 -13.210 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.197 4.653 -12.675 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.588 5.759 -12.575 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.547 4.490 -13.823 1.00 0.00 H new ATOM 1148 N LYS A 76 6.202 4.370 -10.438 1.00 0.00 N ATOM 1149 CA LYS A 76 7.645 4.575 -10.493 1.00 0.00 C ATOM 1150 C LYS A 76 8.374 3.541 -9.640 1.00 0.00 C ATOM 1151 O LYS A 76 9.342 2.927 -10.087 1.00 0.00 O ATOM 1152 CB LYS A 76 7.999 5.986 -10.016 1.00 0.00 C ATOM 1153 CG LYS A 76 7.995 7.022 -11.127 1.00 0.00 C ATOM 1154 CD LYS A 76 7.898 8.433 -10.573 1.00 0.00 C ATOM 1155 CE LYS A 76 9.271 9.069 -10.420 1.00 0.00 C ATOM 1156 NZ LYS A 76 9.932 8.664 -9.150 1.00 0.00 N ATOM 0 H LYS A 76 5.676 5.168 -10.083 1.00 0.00 H new ATOM 0 HA LYS A 76 7.965 4.457 -11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.290 6.289 -9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.985 5.967 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.905 6.925 -11.720 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.156 6.835 -11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.285 9.044 -11.236 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.396 8.411 -9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.899 8.783 -11.263 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.174 10.154 -10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.744 9.288 -8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.253 8.740 -8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.262 7.681 -9.229 1.00 0.00 H new ATOM 1170 N ILE A 77 7.901 3.354 -8.412 1.00 0.00 N ATOM 1171 CA ILE A 77 8.506 2.393 -7.500 1.00 0.00 C ATOM 1172 C ILE A 77 8.418 0.976 -8.055 1.00 0.00 C ATOM 1173 O ILE A 77 9.302 0.151 -7.825 1.00 0.00 O ATOM 1174 CB ILE A 77 7.836 2.432 -6.114 1.00 0.00 C ATOM 1175 CG1 ILE A 77 8.464 3.527 -5.249 1.00 0.00 C ATOM 1176 CG2 ILE A 77 7.952 1.079 -5.430 1.00 0.00 C ATOM 1177 CD1 ILE A 77 8.097 4.928 -5.686 1.00 0.00 C ATOM 0 H ILE A 77 7.101 3.856 -8.027 1.00 0.00 H new ATOM 0 HA ILE A 77 9.554 2.675 -7.396 1.00 0.00 H new ATOM 0 HB ILE A 77 6.779 2.661 -6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.152 3.385 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.548 3.420 -5.273 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.474 1.124 -4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.462 0.320 -6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.004 0.822 -5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.577 5.652 -5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.433 5.089 -6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.015 5.053 -5.635 1.00 0.00 H new ATOM 1189 N PHE A 78 7.344 0.700 -8.789 1.00 0.00 N ATOM 1190 CA PHE A 78 7.139 -0.618 -9.378 1.00 0.00 C ATOM 1191 C PHE A 78 8.116 -0.858 -10.525 1.00 0.00 C ATOM 1192 O PHE A 78 8.651 -1.956 -10.681 1.00 0.00 O ATOM 1193 CB PHE A 78 5.700 -0.757 -9.880 1.00 0.00 C ATOM 1194 CG PHE A 78 4.784 -1.423 -8.895 1.00 0.00 C ATOM 1195 CD1 PHE A 78 4.863 -1.125 -7.544 1.00 0.00 C ATOM 1196 CD2 PHE A 78 3.843 -2.347 -9.319 1.00 0.00 C ATOM 1197 CE1 PHE A 78 4.019 -1.736 -6.634 1.00 0.00 C ATOM 1198 CE2 PHE A 78 2.997 -2.961 -8.415 1.00 0.00 C ATOM 1199 CZ PHE A 78 3.087 -2.656 -7.070 1.00 0.00 C ATOM 0 H PHE A 78 6.603 1.372 -8.990 1.00 0.00 H new ATOM 0 HA PHE A 78 7.321 -1.366 -8.607 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.309 0.233 -10.116 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.701 -1.329 -10.808 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.592 -0.407 -7.197 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.770 -2.590 -10.369 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.089 -1.493 -5.584 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.267 -3.678 -8.759 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.429 -3.137 -6.361 1.00 0.00 H new ATOM 1209 N HIS A 79 8.342 0.177 -11.328 1.00 0.00 N ATOM 1210 CA HIS A 79 9.255 0.080 -12.463 1.00 0.00 C ATOM 1211 C HIS A 79 10.697 0.308 -12.021 1.00 0.00 C ATOM 1212 O HIS A 79 11.637 0.018 -12.760 1.00 0.00 O ATOM 1213 CB HIS A 79 8.872 1.095 -13.540 1.00 0.00 C ATOM 1214 CG HIS A 79 7.884 0.568 -14.535 1.00 0.00 C ATOM 1215 ND1 HIS A 79 8.254 -0.009 -15.731 1.00 0.00 N ATOM 1216 CD2 HIS A 79 6.531 0.533 -14.505 1.00 0.00 C ATOM 1217 CE1 HIS A 79 7.172 -0.375 -16.395 1.00 0.00 C ATOM 1218 NE2 HIS A 79 6.112 -0.058 -15.672 1.00 0.00 N ATOM 0 H HIS A 79 7.906 1.092 -11.214 1.00 0.00 H new ATOM 0 HA HIS A 79 9.176 -0.925 -12.877 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.455 1.981 -13.061 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.772 1.411 -14.067 1.00 0.00 H new ATOM 0 HD1 HIS A 79 9.214 -0.134 -16.053 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.898 0.901 -13.711 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.156 -0.852 -17.364 1.00 0.00 H new ATOM 1226 N GLY A 80 10.865 0.831 -10.810 1.00 0.00 N ATOM 1227 CA GLY A 80 12.195 1.090 -10.292 1.00 0.00 C ATOM 1228 C GLY A 80 12.723 -0.056 -9.452 1.00 0.00 C ATOM 1229 O GLY A 80 13.431 -0.930 -9.954 1.00 0.00 O ATOM 0 H GLY A 80 10.103 1.080 -10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.876 1.271 -11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.177 1.999 -9.691 1.00 0.00 H new ATOM 1233 N LEU A 81 12.381 -0.053 -8.168 1.00 0.00 N ATOM 1234 CA LEU A 81 12.827 -1.100 -7.255 1.00 0.00 C ATOM 1235 C LEU A 81 12.514 -2.483 -7.818 1.00 0.00 C ATOM 1236 O LEU A 81 11.396 -2.747 -8.259 1.00 0.00 O ATOM 1237 CB LEU A 81 12.161 -0.930 -5.888 1.00 0.00 C ATOM 1238 CG LEU A 81 12.273 0.457 -5.255 1.00 0.00 C ATOM 1239 CD1 LEU A 81 11.438 0.535 -3.986 1.00 0.00 C ATOM 1240 CD2 LEU A 81 13.728 0.793 -4.959 1.00 0.00 C ATOM 0 H LEU A 81 11.797 0.663 -7.736 1.00 0.00 H new ATOM 0 HA LEU A 81 13.907 -1.011 -7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.104 -1.178 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.595 -1.657 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 81 11.888 1.190 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.531 1.530 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.393 0.340 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.791 -0.209 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.788 1.784 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.139 0.056 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.300 0.781 -5.887 1.00 0.00 H new ATOM 1252 N LYS A 82 13.508 -3.364 -7.795 1.00 0.00 N ATOM 1253 CA LYS A 82 13.340 -4.721 -8.300 1.00 0.00 C ATOM 1254 C LYS A 82 12.133 -5.396 -7.653 1.00 0.00 C ATOM 1255 O LYS A 82 11.526 -4.852 -6.732 1.00 0.00 O ATOM 1256 CB LYS A 82 14.601 -5.546 -8.034 1.00 0.00 C ATOM 1257 CG LYS A 82 14.614 -6.216 -6.671 1.00 0.00 C ATOM 1258 CD LYS A 82 14.471 -5.201 -5.549 1.00 0.00 C ATOM 1259 CE LYS A 82 15.681 -4.282 -5.472 1.00 0.00 C ATOM 1260 NZ LYS A 82 16.899 -5.004 -5.015 1.00 0.00 N ATOM 0 H LYS A 82 14.439 -3.162 -7.432 1.00 0.00 H new ATOM 0 HA LYS A 82 13.171 -4.664 -9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.695 -6.310 -8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.473 -4.898 -8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.802 -6.941 -6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.545 -6.770 -6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.571 -4.607 -5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.347 -5.722 -4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.866 -3.843 -6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.469 -3.459 -4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.649 -4.317 -4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.676 -5.555 -4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.225 -5.645 -5.766 1.00 0.00 H new ATOM 1274 N SER A 83 11.793 -6.584 -8.143 1.00 0.00 N ATOM 1275 CA SER A 83 10.658 -7.331 -7.614 1.00 0.00 C ATOM 1276 C SER A 83 10.748 -7.455 -6.096 1.00 0.00 C ATOM 1277 O SER A 83 11.523 -8.254 -5.571 1.00 0.00 O ATOM 1278 CB SER A 83 10.596 -8.722 -8.248 1.00 0.00 C ATOM 1279 OG SER A 83 10.700 -8.645 -9.659 1.00 0.00 O ATOM 0 H SER A 83 12.287 -7.049 -8.905 1.00 0.00 H new ATOM 0 HA SER A 83 9.748 -6.785 -7.863 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.402 -9.341 -7.854 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.659 -9.208 -7.975 1.00 0.00 H new ATOM 0 HG SER A 83 10.659 -9.547 -10.040 1.00 0.00 H new ATOM 1285 N THR A 84 9.948 -6.656 -5.395 1.00 0.00 N ATOM 1286 CA THR A 84 9.938 -6.674 -3.938 1.00 0.00 C ATOM 1287 C THR A 84 8.713 -7.409 -3.406 1.00 0.00 C ATOM 1288 O THR A 84 7.822 -7.784 -4.169 1.00 0.00 O ATOM 1289 CB THR A 84 9.958 -5.246 -3.358 1.00 0.00 C ATOM 1290 OG1 THR A 84 10.515 -4.338 -4.315 1.00 0.00 O ATOM 1291 CG2 THR A 84 10.766 -5.197 -2.072 1.00 0.00 C ATOM 0 H THR A 84 9.299 -5.989 -5.813 1.00 0.00 H new ATOM 0 HA THR A 84 10.839 -7.199 -3.622 1.00 0.00 H new ATOM 0 HB THR A 84 8.933 -4.952 -3.134 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.129 -4.822 -4.907 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.766 -4.180 -1.681 1.00 0.00 H new ATOM 0 HG22 THR A 84 10.321 -5.868 -1.337 1.00 0.00 H new ATOM 0 HG23 THR A 84 11.791 -5.508 -2.274 1.00 0.00 H new ATOM 1299 N ASP A 85 8.673 -7.611 -2.094 1.00 0.00 N ATOM 1300 CA ASP A 85 7.555 -8.299 -1.459 1.00 0.00 C ATOM 1301 C ASP A 85 6.348 -7.374 -1.330 1.00 0.00 C ATOM 1302 O ASP A 85 5.219 -7.767 -1.622 1.00 0.00 O ATOM 1303 CB ASP A 85 7.965 -8.819 -0.080 1.00 0.00 C ATOM 1304 CG ASP A 85 9.380 -9.361 -0.063 1.00 0.00 C ATOM 1305 OD1 ASP A 85 9.554 -10.574 -0.311 1.00 0.00 O ATOM 1306 OD2 ASP A 85 10.314 -8.575 0.198 1.00 0.00 O ATOM 0 H ASP A 85 9.402 -7.308 -1.449 1.00 0.00 H new ATOM 0 HA ASP A 85 7.276 -9.144 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.879 -8.013 0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.275 -9.604 0.229 1.00 0.00 H new ATOM 1311 N VAL A 86 6.598 -6.145 -0.892 1.00 0.00 N ATOM 1312 CA VAL A 86 5.532 -5.163 -0.725 1.00 0.00 C ATOM 1313 C VAL A 86 4.817 -4.896 -2.045 1.00 0.00 C ATOM 1314 O VAL A 86 3.594 -4.778 -2.086 1.00 0.00 O ATOM 1315 CB VAL A 86 6.076 -3.833 -0.170 1.00 0.00 C ATOM 1316 CG1 VAL A 86 6.567 -4.011 1.259 1.00 0.00 C ATOM 1317 CG2 VAL A 86 7.187 -3.300 -1.062 1.00 0.00 C ATOM 0 H VAL A 86 7.528 -5.805 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 86 4.824 -5.584 -0.011 1.00 0.00 H new ATOM 0 HB VAL A 86 5.266 -3.104 -0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.948 -3.061 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.742 -4.345 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.364 -4.755 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.560 -2.360 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.000 -4.025 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.798 -3.132 -2.066 1.00 0.00 H new ATOM 1327 N ALA A 87 5.592 -4.803 -3.121 1.00 0.00 N ATOM 1328 CA ALA A 87 5.033 -4.553 -4.444 1.00 0.00 C ATOM 1329 C ALA A 87 4.041 -5.643 -4.837 1.00 0.00 C ATOM 1330 O ALA A 87 2.919 -5.356 -5.253 1.00 0.00 O ATOM 1331 CB ALA A 87 6.146 -4.453 -5.476 1.00 0.00 C ATOM 0 H ALA A 87 6.607 -4.897 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 87 4.496 -3.605 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.715 -4.266 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.815 -3.634 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.707 -5.387 -5.498 1.00 0.00 H new ATOM 1337 N LYS A 88 4.464 -6.896 -4.702 1.00 0.00 N ATOM 1338 CA LYS A 88 3.612 -8.031 -5.042 1.00 0.00 C ATOM 1339 C LYS A 88 2.353 -8.043 -4.181 1.00 0.00 C ATOM 1340 O LYS A 88 1.241 -8.172 -4.693 1.00 0.00 O ATOM 1341 CB LYS A 88 4.380 -9.342 -4.861 1.00 0.00 C ATOM 1342 CG LYS A 88 3.656 -10.553 -5.423 1.00 0.00 C ATOM 1343 CD LYS A 88 4.162 -11.844 -4.802 1.00 0.00 C ATOM 1344 CE LYS A 88 5.537 -12.217 -5.336 1.00 0.00 C ATOM 1345 NZ LYS A 88 6.003 -13.526 -4.800 1.00 0.00 N ATOM 0 H LYS A 88 5.390 -7.151 -4.360 1.00 0.00 H new ATOM 0 HA LYS A 88 3.315 -7.932 -6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.353 -9.253 -5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.566 -9.501 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.586 -10.455 -5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.793 -10.590 -6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.209 -11.734 -3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.458 -12.650 -5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.504 -12.261 -6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.253 -11.440 -5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.943 -13.745 -5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.059 -13.476 -3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.333 -14.272 -5.075 1.00 0.00 H new ATOM 1359 N THR A 89 2.536 -7.907 -2.871 1.00 0.00 N ATOM 1360 CA THR A 89 1.414 -7.903 -1.940 1.00 0.00 C ATOM 1361 C THR A 89 0.394 -6.834 -2.313 1.00 0.00 C ATOM 1362 O THR A 89 -0.813 -7.045 -2.197 1.00 0.00 O ATOM 1363 CB THR A 89 1.887 -7.664 -0.494 1.00 0.00 C ATOM 1364 OG1 THR A 89 2.791 -8.701 -0.096 1.00 0.00 O ATOM 1365 CG2 THR A 89 0.703 -7.624 0.462 1.00 0.00 C ATOM 0 H THR A 89 3.450 -7.798 -2.431 1.00 0.00 H new ATOM 0 HA THR A 89 0.945 -8.885 -2.004 1.00 0.00 H new ATOM 0 HB THR A 89 2.399 -6.702 -0.457 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.664 -8.553 -0.516 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.061 -7.454 1.477 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.030 -6.816 0.174 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.169 -8.573 0.420 1.00 0.00 H new ATOM 1373 N PHE A 90 0.886 -5.684 -2.762 1.00 0.00 N ATOM 1374 CA PHE A 90 0.017 -4.579 -3.151 1.00 0.00 C ATOM 1375 C PHE A 90 -0.781 -4.932 -4.404 1.00 0.00 C ATOM 1376 O PHE A 90 -2.012 -4.956 -4.381 1.00 0.00 O ATOM 1377 CB PHE A 90 0.842 -3.315 -3.398 1.00 0.00 C ATOM 1378 CG PHE A 90 0.071 -2.220 -4.078 1.00 0.00 C ATOM 1379 CD1 PHE A 90 -0.583 -1.251 -3.335 1.00 0.00 C ATOM 1380 CD2 PHE A 90 0.002 -2.160 -5.461 1.00 0.00 C ATOM 1381 CE1 PHE A 90 -1.294 -0.242 -3.959 1.00 0.00 C ATOM 1382 CE2 PHE A 90 -0.706 -1.152 -6.089 1.00 0.00 C ATOM 1383 CZ PHE A 90 -1.355 -0.193 -5.337 1.00 0.00 C ATOM 0 H PHE A 90 1.883 -5.493 -2.866 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.682 -4.394 -2.335 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.219 -2.945 -2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.709 -3.570 -4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.537 -1.284 -2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.506 -2.908 -6.054 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -1.801 0.507 -3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.751 -1.115 -7.167 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.909 0.594 -5.826 1.00 0.00 H new ATOM 1393 N ARG A 91 -0.071 -5.204 -5.494 1.00 0.00 N ATOM 1394 CA ARG A 91 -0.712 -5.553 -6.756 1.00 0.00 C ATOM 1395 C ARG A 91 -1.699 -6.701 -6.565 1.00 0.00 C ATOM 1396 O ARG A 91 -2.780 -6.710 -7.153 1.00 0.00 O ATOM 1397 CB ARG A 91 0.339 -5.937 -7.797 1.00 0.00 C ATOM 1398 CG ARG A 91 0.109 -5.302 -9.159 1.00 0.00 C ATOM 1399 CD ARG A 91 1.216 -5.664 -10.137 1.00 0.00 C ATOM 1400 NE ARG A 91 1.114 -4.910 -11.383 1.00 0.00 N ATOM 1401 CZ ARG A 91 1.716 -5.269 -12.512 1.00 0.00 C ATOM 1402 NH1 ARG A 91 2.458 -6.367 -12.550 1.00 0.00 N ATOM 1403 NH2 ARG A 91 1.574 -4.530 -13.604 1.00 0.00 N ATOM 0 H ARG A 91 0.948 -5.189 -5.529 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.261 -4.680 -7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.324 -5.645 -7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.349 -7.021 -7.908 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.851 -5.630 -9.557 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.056 -4.219 -9.052 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.185 -5.472 -9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.173 -6.731 -10.355 1.00 0.00 H new ATOM 0 HE ARG A 91 0.549 -4.061 -11.387 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.568 -6.938 -11.712 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.919 -6.641 -13.417 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.002 -3.686 -13.578 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.036 -4.806 -14.470 1.00 0.00 H new ATOM 1417 N LYS A 92 -1.318 -7.670 -5.738 1.00 0.00 N ATOM 1418 CA LYS A 92 -2.168 -8.824 -5.469 1.00 0.00 C ATOM 1419 C LYS A 92 -3.371 -8.427 -4.619 1.00 0.00 C ATOM 1420 O LYS A 92 -4.516 -8.551 -5.052 1.00 0.00 O ATOM 1421 CB LYS A 92 -1.367 -9.918 -4.759 1.00 0.00 C ATOM 1422 CG LYS A 92 -0.407 -10.660 -5.673 1.00 0.00 C ATOM 1423 CD LYS A 92 0.144 -11.909 -5.008 1.00 0.00 C ATOM 1424 CE LYS A 92 -0.757 -13.111 -5.247 1.00 0.00 C ATOM 1425 NZ LYS A 92 -0.572 -13.681 -6.610 1.00 0.00 N ATOM 0 H LYS A 92 -0.426 -7.679 -5.243 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.530 -9.208 -6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.803 -9.470 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.059 -10.634 -4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.920 -10.934 -6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.416 -10.001 -5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.142 -12.118 -5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.247 -11.737 -3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.545 -13.877 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.798 -12.816 -5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.448 -14.154 -6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.344 -12.917 -7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.206 -14.371 -6.595 1.00 0.00 H new ATOM 1439 N ALA A 93 -3.101 -7.949 -3.409 1.00 0.00 N ATOM 1440 CA ALA A 93 -4.162 -7.530 -2.500 1.00 0.00 C ATOM 1441 C ALA A 93 -5.124 -6.566 -3.186 1.00 0.00 C ATOM 1442 O ALA A 93 -6.334 -6.798 -3.214 1.00 0.00 O ATOM 1443 CB ALA A 93 -3.568 -6.888 -1.255 1.00 0.00 C ATOM 0 H ALA A 93 -2.158 -7.842 -3.035 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.725 -8.416 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.371 -6.580 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.927 -7.607 -0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.980 -6.016 -1.541 1.00 0.00 H new ATOM 1449 N ILE A 94 -4.581 -5.487 -3.737 1.00 0.00 N ATOM 1450 CA ILE A 94 -5.392 -4.488 -4.423 1.00 0.00 C ATOM 1451 C ILE A 94 -6.262 -5.132 -5.498 1.00 0.00 C ATOM 1452 O ILE A 94 -7.322 -4.613 -5.846 1.00 0.00 O ATOM 1453 CB ILE A 94 -4.517 -3.400 -5.071 1.00 0.00 C ATOM 1454 CG1 ILE A 94 -5.223 -2.044 -5.010 1.00 0.00 C ATOM 1455 CG2 ILE A 94 -4.189 -3.769 -6.509 1.00 0.00 C ATOM 1456 CD1 ILE A 94 -4.383 -0.952 -4.384 1.00 0.00 C ATOM 0 H ILE A 94 -3.582 -5.281 -3.722 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.030 -4.027 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.583 -3.327 -4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.502 -1.743 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.148 -2.150 -4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.570 -2.989 -6.953 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.649 -4.716 -6.528 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.113 -3.867 -7.079 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.947 -0.019 -4.374 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.126 -1.231 -3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.470 -0.818 -4.964 1.00 0.00 H new ATOM 1468 N ASN A 95 -5.806 -6.266 -6.020 1.00 0.00 N ATOM 1469 CA ASN A 95 -6.543 -6.982 -7.055 1.00 0.00 C ATOM 1470 C ASN A 95 -7.798 -7.629 -6.479 1.00 0.00 C ATOM 1471 O ASN A 95 -8.864 -7.600 -7.095 1.00 0.00 O ATOM 1472 CB ASN A 95 -5.654 -8.049 -7.697 1.00 0.00 C ATOM 1473 CG ASN A 95 -5.529 -7.869 -9.198 1.00 0.00 C ATOM 1474 OD1 ASN A 95 -6.324 -8.410 -9.968 1.00 0.00 O ATOM 1475 ND2 ASN A 95 -4.528 -7.107 -9.623 1.00 0.00 N ATOM 0 H ASN A 95 -4.930 -6.709 -5.743 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.843 -6.263 -7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.663 -8.012 -7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.065 -9.036 -7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.395 -6.951 -10.622 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.893 -6.678 -8.950 1.00 0.00 H new ATOM 1482 N LYS A 96 -7.666 -8.215 -5.294 1.00 0.00 N ATOM 1483 CA LYS A 96 -8.788 -8.869 -4.632 1.00 0.00 C ATOM 1484 C LYS A 96 -9.977 -7.919 -4.512 1.00 0.00 C ATOM 1485 O LYS A 96 -11.129 -8.352 -4.479 1.00 0.00 O ATOM 1486 CB LYS A 96 -8.373 -9.361 -3.244 1.00 0.00 C ATOM 1487 CG LYS A 96 -7.675 -10.709 -3.261 1.00 0.00 C ATOM 1488 CD LYS A 96 -8.674 -11.854 -3.296 1.00 0.00 C ATOM 1489 CE LYS A 96 -8.868 -12.380 -4.710 1.00 0.00 C ATOM 1490 NZ LYS A 96 -9.309 -13.802 -4.717 1.00 0.00 N ATOM 0 H LYS A 96 -6.791 -8.250 -4.771 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.087 -9.724 -5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.711 -8.624 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.258 -9.427 -2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.020 -10.770 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.043 -10.803 -2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.327 -12.661 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.631 -11.516 -2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.607 -11.768 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.934 -12.287 -5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.430 -14.123 -5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.592 -14.390 -4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.214 -13.887 -4.211 1.00 0.00 H new ATOM 1504 N LYS A 97 -9.690 -6.623 -4.450 1.00 0.00 N ATOM 1505 CA LYS A 97 -10.734 -5.613 -4.337 1.00 0.00 C ATOM 1506 C LYS A 97 -11.251 -5.208 -5.714 1.00 0.00 C ATOM 1507 O LYS A 97 -10.595 -5.501 -6.712 1.00 0.00 O ATOM 1508 CB LYS A 97 -10.203 -4.383 -3.597 1.00 0.00 C ATOM 1509 CG LYS A 97 -11.295 -3.434 -3.135 1.00 0.00 C ATOM 1510 CD LYS A 97 -11.933 -3.905 -1.839 1.00 0.00 C ATOM 1511 CE LYS A 97 -11.037 -3.625 -0.643 1.00 0.00 C ATOM 1512 NZ LYS A 97 -11.384 -2.338 0.021 1.00 0.00 N ATOM 0 H LYS A 97 -8.742 -6.248 -4.476 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.561 -6.042 -3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.627 -4.710 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.517 -3.844 -4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.876 -2.438 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.059 -3.353 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.892 -3.405 -1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.137 -4.974 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.125 -4.440 0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.997 -3.597 -0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.751 -2.184 0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.275 -1.557 -0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.369 -2.373 0.353 1.00 0.00 H new TER 1526 LYS A 97 HETATM 1527 CA CA A 101 -7.739 8.115 -1.392 1.00 0.00 CA HETATM 1528 CA CA A 102 4.348 12.553 -2.180 1.00 0.00 CA