USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 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 NoAdj-H: B 39 HIS HD1 : B 39 HIS ND1 : B 50 ZNZN :(H bumps) USER MOD Set 1.1: B 15 LYS NZ :NH3+ -168:sc= 0.874 (180deg=0) USER MOD Set 1.2: B 16 GLN : amide:sc= 0.67 K(o=1.5,f=-8!) USER MOD Set 2.1: A 12 GLN : amide:sc= -0.103 X(o=0.91,f=0.5) USER MOD Set 2.2: A 16 GLN : amide:sc= 1.01 K(o=0.91,f=-0.0034) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -172:sc= 0.231 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -77:sc= 0.688 USER MOD Single : A 25 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.003) USER MOD Single : A 26 ASN : amide:sc= -0.129 X(o=-0.13,f=0.34) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.21) USER MOD Single : A 39 HIS : +bothHN:sc= -0.0105 K(o=-0.011,f=-4.7!) USER MOD Single : A 45 THR OG1 : rot 72:sc= 0.28 USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 TYR OH : rot -177:sc= 0.0195 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -72:sc= 0.855 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 ASN : amide:sc= 0.99 K(o=0.99,f=-0.57) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 THR OG1 : rot 78:sc= 0.135 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 2.793 12.910 -11.487 1.00 0.00 C HETATM 2 O ACE A 0 2.631 12.965 -12.704 1.00 0.00 O HETATM 3 CH3 ACE A 0 2.271 14.015 -10.597 1.00 0.00 C HETATM 0 H1 ACE A 0 1.554 13.602 -9.887 1.00 0.00 H new HETATM 0 H2 ACE A 0 3.101 14.467 -10.054 1.00 0.00 H new HETATM 0 H3 ACE A 0 1.781 14.773 -11.208 1.00 0.00 H new ATOM 7 N ASP A 1 3.415 11.908 -10.869 1.00 0.00 N ATOM 8 CA ASP A 1 4.087 10.783 -11.552 1.00 0.00 C ATOM 9 C ASP A 1 3.805 9.410 -10.918 1.00 0.00 C ATOM 10 O ASP A 1 3.894 8.376 -11.583 1.00 0.00 O ATOM 11 CB ASP A 1 5.596 11.056 -11.531 1.00 0.00 C ATOM 12 CG ASP A 1 6.386 10.120 -12.463 1.00 0.00 C ATOM 13 OD1 ASP A 1 6.139 10.133 -13.693 1.00 0.00 O ATOM 14 OD2 ASP A 1 7.288 9.400 -11.972 1.00 0.00 O ATOM 0 H ASP A 1 3.472 11.846 -9.852 1.00 0.00 H new ATOM 0 HA ASP A 1 3.692 10.730 -12.566 1.00 0.00 H new ATOM 0 HB2 ASP A 1 5.777 12.090 -11.824 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.967 10.944 -10.512 1.00 0.00 H new ATOM 19 N TYR A 2 3.420 9.402 -9.639 1.00 0.00 N ATOM 20 CA TYR A 2 3.130 8.195 -8.852 1.00 0.00 C ATOM 21 C TYR A 2 2.103 7.253 -9.507 1.00 0.00 C ATOM 22 O TYR A 2 2.215 6.038 -9.383 1.00 0.00 O ATOM 23 CB TYR A 2 2.671 8.587 -7.437 1.00 0.00 C ATOM 24 CG TYR A 2 1.245 9.096 -7.326 1.00 0.00 C ATOM 25 CD1 TYR A 2 0.193 8.177 -7.133 1.00 0.00 C ATOM 26 CD2 TYR A 2 0.960 10.472 -7.444 1.00 0.00 C ATOM 27 CE1 TYR A 2 -1.140 8.623 -7.096 1.00 0.00 C ATOM 28 CE2 TYR A 2 -0.374 10.923 -7.392 1.00 0.00 C ATOM 29 CZ TYR A 2 -1.427 9.998 -7.228 1.00 0.00 C ATOM 30 OH TYR A 2 -2.715 10.430 -7.233 1.00 0.00 O ATOM 0 H TYR A 2 3.297 10.261 -9.104 1.00 0.00 H new ATOM 0 HA TYR A 2 4.062 7.632 -8.802 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.780 7.719 -6.786 1.00 0.00 H new ATOM 0 HB3 TYR A 2 3.343 9.357 -7.057 1.00 0.00 H new ATOM 0 HD1 TYR A 2 0.412 7.126 -7.013 1.00 0.00 H new ATOM 0 HD2 TYR A 2 1.765 11.181 -7.574 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -1.944 7.913 -6.967 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -0.591 11.978 -7.478 1.00 0.00 H new ATOM 0 HH TYR A 2 -2.733 11.405 -7.331 1.00 0.00 H new ATOM 40 N LEU A 3 1.127 7.812 -10.227 1.00 0.00 N ATOM 41 CA LEU A 3 0.092 7.092 -10.986 1.00 0.00 C ATOM 42 C LEU A 3 0.700 6.219 -12.090 1.00 0.00 C ATOM 43 O LEU A 3 0.423 5.023 -12.175 1.00 0.00 O ATOM 44 CB LEU A 3 -0.854 8.121 -11.640 1.00 0.00 C ATOM 45 CG LEU A 3 -1.745 8.898 -10.660 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.277 10.157 -11.345 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.920 8.045 -10.175 1.00 0.00 C ATOM 0 H LEU A 3 1.029 8.824 -10.302 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.445 6.445 -10.293 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.255 8.834 -12.207 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.493 7.602 -12.355 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.142 9.168 -9.793 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.910 10.709 -10.650 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.441 10.785 -11.652 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.860 9.875 -12.222 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.530 8.626 -9.483 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.527 7.743 -11.028 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.541 7.158 -9.668 1.00 0.00 H new ATOM 59 N ARG A 4 1.555 6.825 -12.920 1.00 0.00 N ATOM 60 CA ARG A 4 2.285 6.155 -14.003 1.00 0.00 C ATOM 61 C ARG A 4 3.251 5.113 -13.444 1.00 0.00 C ATOM 62 O ARG A 4 3.319 4.008 -13.973 1.00 0.00 O ATOM 63 CB ARG A 4 2.980 7.231 -14.851 1.00 0.00 C ATOM 64 CG ARG A 4 3.679 6.680 -16.101 1.00 0.00 C ATOM 65 CD ARG A 4 4.154 7.848 -16.976 1.00 0.00 C ATOM 66 NE ARG A 4 4.978 7.396 -18.115 1.00 0.00 N ATOM 67 CZ ARG A 4 6.288 7.210 -18.122 1.00 0.00 C ATOM 68 NH1 ARG A 4 7.018 7.369 -17.055 1.00 0.00 N ATOM 69 NH2 ARG A 4 6.896 6.852 -19.217 1.00 0.00 N ATOM 0 H ARG A 4 1.765 7.821 -12.856 1.00 0.00 H new ATOM 0 HA ARG A 4 1.600 5.602 -14.646 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.242 7.972 -15.156 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.715 7.748 -14.234 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.527 6.059 -15.813 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.995 6.045 -16.663 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.288 8.394 -17.351 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.731 8.544 -16.367 1.00 0.00 H new ATOM 0 HE ARG A 4 4.486 7.207 -18.988 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.582 7.646 -16.175 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.026 7.216 -17.099 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.362 6.714 -20.075 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.906 6.710 -19.216 1.00 0.00 H new ATOM 83 N GLU A 5 3.924 5.423 -12.337 1.00 0.00 N ATOM 84 CA GLU A 5 4.749 4.460 -11.588 1.00 0.00 C ATOM 85 C GLU A 5 3.935 3.249 -11.068 1.00 0.00 C ATOM 86 O GLU A 5 4.399 2.111 -11.164 1.00 0.00 O ATOM 87 CB GLU A 5 5.459 5.215 -10.454 1.00 0.00 C ATOM 88 CG GLU A 5 6.417 4.372 -9.602 1.00 0.00 C ATOM 89 CD GLU A 5 7.596 3.757 -10.389 1.00 0.00 C ATOM 90 OE1 GLU A 5 8.097 4.377 -11.358 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.060 2.652 -10.014 1.00 0.00 O ATOM 0 H GLU A 5 3.916 6.357 -11.926 1.00 0.00 H new ATOM 0 HA GLU A 5 5.490 4.028 -12.260 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.019 6.044 -10.887 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.703 5.648 -9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.816 4.995 -8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.852 3.568 -9.130 1.00 0.00 H new ATOM 98 N LEU A 6 2.709 3.474 -10.579 1.00 0.00 N ATOM 99 CA LEU A 6 1.750 2.440 -10.153 1.00 0.00 C ATOM 100 C LEU A 6 1.346 1.508 -11.311 1.00 0.00 C ATOM 101 O LEU A 6 1.464 0.283 -11.219 1.00 0.00 O ATOM 102 CB LEU A 6 0.506 3.143 -9.546 1.00 0.00 C ATOM 103 CG LEU A 6 0.253 2.789 -8.078 1.00 0.00 C ATOM 104 CD1 LEU A 6 1.362 3.288 -7.148 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.053 3.429 -7.605 1.00 0.00 C ATOM 0 H LEU A 6 2.341 4.418 -10.464 1.00 0.00 H new ATOM 0 HA LEU A 6 2.225 1.807 -9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.631 4.222 -9.634 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.373 2.875 -10.132 1.00 0.00 H new ATOM 0 HG LEU A 6 0.213 1.701 -8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.129 3.008 -6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.311 2.839 -7.440 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.437 4.373 -7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.226 3.173 -6.560 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.985 4.512 -7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.880 3.059 -8.211 1.00 0.00 H new ATOM 117 N LEU A 7 0.896 2.106 -12.417 1.00 0.00 N ATOM 118 CA LEU A 7 0.525 1.427 -13.662 1.00 0.00 C ATOM 119 C LEU A 7 1.678 0.618 -14.278 1.00 0.00 C ATOM 120 O LEU A 7 1.472 -0.536 -14.659 1.00 0.00 O ATOM 121 CB LEU A 7 -0.030 2.468 -14.656 1.00 0.00 C ATOM 122 CG LEU A 7 -1.568 2.587 -14.583 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.032 4.039 -14.527 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.213 1.943 -15.812 1.00 0.00 C ATOM 0 H LEU A 7 0.775 3.117 -12.472 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.246 0.693 -13.427 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.418 3.440 -14.448 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.263 2.192 -15.669 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.872 2.077 -13.669 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.120 4.071 -14.477 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.613 4.521 -13.644 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.694 4.564 -15.421 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.297 2.036 -15.745 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.861 2.446 -16.713 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.941 0.888 -15.855 1.00 0.00 H new ATOM 136 N LYS A 8 2.900 1.169 -14.321 1.00 0.00 N ATOM 137 CA LYS A 8 4.124 0.498 -14.819 1.00 0.00 C ATOM 138 C LYS A 8 4.733 -0.451 -13.773 1.00 0.00 C ATOM 139 O LYS A 8 5.947 -0.525 -13.570 1.00 0.00 O ATOM 140 CB LYS A 8 5.125 1.519 -15.405 1.00 0.00 C ATOM 141 CG LYS A 8 4.828 1.859 -16.875 1.00 0.00 C ATOM 142 CD LYS A 8 3.574 2.717 -17.113 1.00 0.00 C ATOM 143 CE LYS A 8 3.193 2.805 -18.598 1.00 0.00 C ATOM 144 NZ LYS A 8 4.279 3.371 -19.442 1.00 0.00 N ATOM 0 H LYS A 8 3.076 2.122 -14.002 1.00 0.00 H new ATOM 0 HA LYS A 8 3.840 -0.149 -15.649 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.096 2.433 -14.811 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.136 1.119 -15.325 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.689 2.382 -17.291 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.721 0.928 -17.431 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.739 2.298 -16.552 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.746 3.721 -16.726 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.938 1.810 -18.962 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.300 3.421 -18.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.966 3.406 -20.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.507 4.332 -19.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.125 2.771 -19.368 1.00 0.00 H new ATOM 158 N GLY A 9 3.855 -1.222 -13.140 1.00 0.00 N ATOM 159 CA GLY A 9 4.223 -2.368 -12.321 1.00 0.00 C ATOM 160 C GLY A 9 3.151 -3.405 -12.024 1.00 0.00 C ATOM 161 O GLY A 9 3.451 -4.599 -12.017 1.00 0.00 O ATOM 0 H GLY A 9 2.848 -1.063 -13.184 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.053 -2.876 -12.811 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.597 -1.992 -11.369 1.00 0.00 H new ATOM 165 N GLU A 10 1.898 -2.996 -11.846 1.00 0.00 N ATOM 166 CA GLU A 10 0.803 -3.950 -11.577 1.00 0.00 C ATOM 167 C GLU A 10 0.624 -5.001 -12.693 1.00 0.00 C ATOM 168 O GLU A 10 0.266 -6.146 -12.400 1.00 0.00 O ATOM 169 CB GLU A 10 -0.515 -3.189 -11.366 1.00 0.00 C ATOM 170 CG GLU A 10 -0.650 -2.452 -10.022 1.00 0.00 C ATOM 171 CD GLU A 10 -1.512 -3.241 -9.034 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.175 -4.262 -8.406 1.00 0.00 O ATOM 173 OE2 GLU A 10 -2.724 -3.062 -8.790 1.00 0.00 O ATOM 0 H GLU A 10 1.607 -2.019 -11.881 1.00 0.00 H new ATOM 0 HA GLU A 10 1.077 -4.492 -10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.627 -2.463 -12.171 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.340 -3.895 -11.457 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.339 -2.289 -9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.091 -1.469 -10.187 1.00 0.00 H new ATOM 180 N LEU A 11 0.918 -4.668 -13.960 1.00 0.00 N ATOM 181 CA LEU A 11 0.765 -5.601 -15.088 1.00 0.00 C ATOM 182 C LEU A 11 1.740 -6.792 -14.991 1.00 0.00 C ATOM 183 O LEU A 11 1.401 -7.929 -15.330 1.00 0.00 O ATOM 184 CB LEU A 11 0.869 -4.751 -16.377 1.00 0.00 C ATOM 185 CG LEU A 11 1.631 -5.373 -17.553 1.00 0.00 C ATOM 186 CD1 LEU A 11 0.941 -6.606 -18.153 1.00 0.00 C ATOM 187 CD2 LEU A 11 1.839 -4.324 -18.647 1.00 0.00 C ATOM 0 H LEU A 11 1.267 -3.749 -14.231 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.205 -6.097 -15.084 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.141 -4.517 -16.712 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.348 -3.805 -16.123 1.00 0.00 H new ATOM 0 HG LEU A 11 2.587 -5.713 -17.153 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.538 -6.991 -18.980 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.842 -7.376 -17.388 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.048 -6.328 -18.518 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.381 -4.770 -19.481 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.871 -3.964 -18.995 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.414 -3.489 -18.246 1.00 0.00 H new ATOM 199 N GLN A 12 2.925 -6.536 -14.441 1.00 0.00 N ATOM 200 CA GLN A 12 3.998 -7.498 -14.221 1.00 0.00 C ATOM 201 C GLN A 12 3.622 -8.549 -13.152 1.00 0.00 C ATOM 202 O GLN A 12 4.186 -9.647 -13.130 1.00 0.00 O ATOM 203 CB GLN A 12 5.274 -6.696 -13.888 1.00 0.00 C ATOM 204 CG GLN A 12 6.593 -7.392 -14.264 1.00 0.00 C ATOM 205 CD GLN A 12 7.065 -8.442 -13.261 1.00 0.00 C ATOM 206 OE1 GLN A 12 6.874 -8.331 -12.056 1.00 0.00 O ATOM 207 NE2 GLN A 12 7.716 -9.491 -13.715 1.00 0.00 N ATOM 0 H GLN A 12 3.174 -5.600 -14.120 1.00 0.00 H new ATOM 0 HA GLN A 12 4.179 -8.090 -15.118 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.227 -5.736 -14.403 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.284 -6.484 -12.819 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.474 -7.867 -15.238 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.370 -6.635 -14.371 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.881 -9.595 -14.716 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.056 -10.201 -13.066 1.00 0.00 H new ATOM 216 N GLY A 13 2.609 -8.250 -12.325 1.00 0.00 N ATOM 217 CA GLY A 13 1.986 -9.194 -11.398 1.00 0.00 C ATOM 218 C GLY A 13 0.884 -10.021 -12.062 1.00 0.00 C ATOM 219 O GLY A 13 0.892 -11.244 -11.917 1.00 0.00 O ATOM 0 H GLY A 13 2.193 -7.320 -12.285 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.748 -9.863 -10.998 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.567 -8.647 -10.553 1.00 0.00 H new ATOM 223 N ILE A 14 -0.015 -9.400 -12.849 1.00 0.00 N ATOM 224 CA ILE A 14 -1.139 -10.122 -13.500 1.00 0.00 C ATOM 225 C ILE A 14 -0.613 -11.283 -14.343 1.00 0.00 C ATOM 226 O ILE A 14 -1.042 -12.431 -14.189 1.00 0.00 O ATOM 227 CB ILE A 14 -1.999 -9.203 -14.401 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.659 -8.073 -13.593 1.00 0.00 C ATOM 229 CG2 ILE A 14 -3.101 -10.009 -15.129 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.333 -7.014 -14.471 1.00 0.00 C ATOM 0 H ILE A 14 0.010 -8.401 -13.053 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.771 -10.493 -12.693 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.323 -8.765 -15.136 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.401 -8.503 -12.920 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.904 -7.592 -12.971 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.689 -9.338 -15.755 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.640 -10.775 -15.752 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.751 -10.483 -14.394 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.778 -6.246 -13.838 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.591 -6.558 -15.126 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.110 -7.483 -15.074 1.00 0.00 H new ATOM 242 N LYS A 15 0.336 -10.977 -15.234 1.00 0.00 N ATOM 243 CA LYS A 15 0.840 -11.934 -16.217 1.00 0.00 C ATOM 244 C LYS A 15 1.616 -13.078 -15.573 1.00 0.00 C ATOM 245 O LYS A 15 1.587 -14.200 -16.081 1.00 0.00 O ATOM 246 CB LYS A 15 1.651 -11.174 -17.282 1.00 0.00 C ATOM 247 CG LYS A 15 2.002 -12.054 -18.491 1.00 0.00 C ATOM 248 CD LYS A 15 2.588 -11.211 -19.630 1.00 0.00 C ATOM 249 CE LYS A 15 2.923 -12.105 -20.830 1.00 0.00 C ATOM 250 NZ LYS A 15 3.423 -11.310 -21.982 1.00 0.00 N ATOM 0 H LYS A 15 0.775 -10.058 -15.292 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.003 -12.420 -16.709 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.081 -10.309 -17.620 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.569 -10.795 -16.833 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.719 -12.819 -18.193 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.109 -12.573 -18.840 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.875 -10.442 -19.928 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.486 -10.697 -19.287 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.675 -12.838 -20.539 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.035 -12.661 -21.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.640 -11.947 -22.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.695 -10.627 -22.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.285 -10.799 -21.703 1.00 0.00 H new ATOM 264 N GLN A 16 2.253 -12.822 -14.428 1.00 0.00 N ATOM 265 CA GLN A 16 2.992 -13.845 -13.708 1.00 0.00 C ATOM 266 C GLN A 16 2.095 -14.768 -12.869 1.00 0.00 C ATOM 267 O GLN A 16 2.311 -15.978 -12.836 1.00 0.00 O ATOM 268 CB GLN A 16 4.048 -13.223 -12.809 1.00 0.00 C ATOM 269 CG GLN A 16 5.405 -13.321 -13.517 1.00 0.00 C ATOM 270 CD GLN A 16 6.507 -12.873 -12.585 1.00 0.00 C ATOM 271 OE1 GLN A 16 7.466 -13.578 -12.298 1.00 0.00 O ATOM 272 NE2 GLN A 16 6.366 -11.683 -12.070 1.00 0.00 N ATOM 0 H GLN A 16 2.268 -11.905 -13.982 1.00 0.00 H new ATOM 0 HA GLN A 16 3.467 -14.457 -14.475 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.803 -12.181 -12.601 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.082 -13.740 -11.850 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.584 -14.347 -13.838 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.402 -12.702 -14.414 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.560 -11.111 -12.322 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.062 -11.325 -11.416 1.00 0.00 H new ATOM 281 N TYR A 17 1.063 -14.215 -12.218 1.00 0.00 N ATOM 282 CA TYR A 17 0.077 -14.982 -11.445 1.00 0.00 C ATOM 283 C TYR A 17 -0.599 -16.059 -12.299 1.00 0.00 C ATOM 284 O TYR A 17 -0.901 -17.147 -11.806 1.00 0.00 O ATOM 285 CB TYR A 17 -1.023 -14.061 -10.894 1.00 0.00 C ATOM 286 CG TYR A 17 -0.752 -13.358 -9.573 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.411 -14.106 -8.427 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.953 -11.967 -9.460 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.239 -13.460 -7.187 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.787 -11.319 -8.222 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.425 -12.065 -7.080 1.00 0.00 C ATOM 292 OH TYR A 17 -0.342 -11.469 -5.858 1.00 0.00 O ATOM 0 H TYR A 17 0.887 -13.210 -12.213 1.00 0.00 H new ATOM 0 HA TYR A 17 0.624 -15.453 -10.628 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.231 -13.298 -11.645 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.932 -14.652 -10.780 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.282 -15.176 -8.500 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.237 -11.394 -10.331 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.036 -14.034 -6.315 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.936 -10.252 -8.146 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.613 -10.530 -5.933 1.00 0.00 H new ATOM 302 N ARG A 18 -0.806 -15.767 -13.589 1.00 0.00 N ATOM 303 CA ARG A 18 -1.401 -16.700 -14.552 1.00 0.00 C ATOM 304 C ARG A 18 -0.559 -17.975 -14.737 1.00 0.00 C ATOM 305 O ARG A 18 -1.103 -19.030 -15.054 1.00 0.00 O ATOM 306 CB ARG A 18 -1.651 -15.952 -15.872 1.00 0.00 C ATOM 307 CG ARG A 18 -3.028 -16.206 -16.503 1.00 0.00 C ATOM 308 CD ARG A 18 -3.208 -17.635 -17.037 1.00 0.00 C ATOM 309 NE ARG A 18 -4.361 -17.725 -17.958 1.00 0.00 N ATOM 310 CZ ARG A 18 -4.386 -17.384 -19.236 1.00 0.00 C ATOM 311 NH1 ARG A 18 -3.335 -16.922 -19.856 1.00 0.00 N ATOM 312 NH2 ARG A 18 -5.483 -17.496 -19.928 1.00 0.00 N ATOM 0 H ARG A 18 -0.562 -14.865 -13.998 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.355 -17.055 -14.163 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.540 -14.882 -15.694 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.880 -16.238 -16.588 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.801 -16.005 -15.761 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.179 -15.500 -17.320 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.301 -17.949 -17.555 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.352 -18.321 -16.203 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.230 -18.089 -17.566 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.454 -16.813 -19.354 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.395 -16.670 -20.843 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.331 -17.849 -19.485 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.494 -17.231 -20.913 1.00 0.00 H new ATOM 326 N GLU A 19 0.753 -17.895 -14.497 1.00 0.00 N ATOM 327 CA GLU A 19 1.674 -19.041 -14.501 1.00 0.00 C ATOM 328 C GLU A 19 1.620 -19.866 -13.200 1.00 0.00 C ATOM 329 O GLU A 19 1.775 -21.081 -13.214 1.00 0.00 O ATOM 330 CB GLU A 19 3.105 -18.504 -14.672 1.00 0.00 C ATOM 331 CG GLU A 19 4.029 -19.515 -15.363 1.00 0.00 C ATOM 332 CD GLU A 19 5.482 -19.003 -15.428 1.00 0.00 C ATOM 333 OE1 GLU A 19 5.756 -18.031 -16.181 1.00 0.00 O ATOM 334 OE2 GLU A 19 6.364 -19.576 -14.752 1.00 0.00 O ATOM 0 H GLU A 19 1.218 -17.011 -14.289 1.00 0.00 H new ATOM 0 HA GLU A 19 1.376 -19.699 -15.317 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.078 -17.583 -15.255 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.515 -18.250 -13.694 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.000 -20.462 -14.825 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.666 -19.710 -16.372 1.00 0.00 H new ATOM 341 N ALA A 20 1.413 -19.211 -12.057 1.00 0.00 N ATOM 342 CA ALA A 20 1.609 -19.783 -10.718 1.00 0.00 C ATOM 343 C ALA A 20 0.588 -20.870 -10.334 1.00 0.00 C ATOM 344 O ALA A 20 0.884 -21.739 -9.507 1.00 0.00 O ATOM 345 CB ALA A 20 1.612 -18.632 -9.707 1.00 0.00 C ATOM 0 H ALA A 20 1.096 -18.242 -12.033 1.00 0.00 H new ATOM 0 HA ALA A 20 2.565 -20.306 -10.715 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.756 -19.030 -8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.422 -17.942 -9.944 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.660 -18.104 -9.754 1.00 0.00 H new ATOM 351 N LEU A 21 -0.587 -20.886 -10.974 1.00 0.00 N ATOM 352 CA LEU A 21 -1.570 -21.969 -10.852 1.00 0.00 C ATOM 353 C LEU A 21 -0.973 -23.321 -11.264 1.00 0.00 C ATOM 354 O LEU A 21 -1.403 -24.344 -10.737 1.00 0.00 O ATOM 355 CB LEU A 21 -2.807 -21.632 -11.696 1.00 0.00 C ATOM 356 CG LEU A 21 -4.029 -22.536 -11.423 1.00 0.00 C ATOM 357 CD1 LEU A 21 -4.758 -22.123 -10.144 1.00 0.00 C ATOM 358 CD2 LEU A 21 -5.022 -22.457 -12.579 1.00 0.00 C ATOM 0 H LEU A 21 -0.886 -20.138 -11.599 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.864 -22.057 -9.806 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.088 -20.595 -11.510 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.544 -21.706 -12.751 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.652 -23.553 -11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.612 -22.781 -9.984 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.077 -22.199 -9.296 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.105 -21.094 -10.239 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.877 -23.100 -12.369 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.362 -21.428 -12.697 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.537 -22.786 -13.498 1.00 0.00 H new ATOM 370 N GLU A 22 0.049 -23.352 -12.129 1.00 0.00 N ATOM 371 CA GLU A 22 0.679 -24.632 -12.513 1.00 0.00 C ATOM 372 C GLU A 22 1.362 -25.361 -11.346 1.00 0.00 C ATOM 373 O GLU A 22 1.480 -26.589 -11.381 1.00 0.00 O ATOM 374 CB GLU A 22 1.713 -24.443 -13.635 1.00 0.00 C ATOM 375 CG GLU A 22 1.252 -24.992 -14.992 1.00 0.00 C ATOM 376 CD GLU A 22 0.021 -24.250 -15.554 1.00 0.00 C ATOM 377 OE1 GLU A 22 0.192 -23.238 -16.276 1.00 0.00 O ATOM 378 OE2 GLU A 22 -1.125 -24.705 -15.313 1.00 0.00 O ATOM 0 H GLU A 22 0.454 -22.527 -12.571 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.149 -25.249 -12.861 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.935 -23.381 -13.738 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.642 -24.937 -13.349 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.072 -24.917 -15.706 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.015 -26.051 -14.888 1.00 0.00 H new ATOM 385 N TYR A 23 1.779 -24.625 -10.314 1.00 0.00 N ATOM 386 CA TYR A 23 2.528 -25.167 -9.172 1.00 0.00 C ATOM 387 C TYR A 23 1.705 -25.172 -7.877 1.00 0.00 C ATOM 388 O TYR A 23 1.975 -25.971 -6.977 1.00 0.00 O ATOM 389 CB TYR A 23 3.824 -24.364 -9.001 1.00 0.00 C ATOM 390 CG TYR A 23 4.671 -24.288 -10.260 1.00 0.00 C ATOM 391 CD1 TYR A 23 5.332 -25.439 -10.732 1.00 0.00 C ATOM 392 CD2 TYR A 23 4.766 -23.078 -10.977 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.090 -25.381 -11.918 1.00 0.00 C ATOM 394 CE2 TYR A 23 5.526 -23.015 -12.161 1.00 0.00 C ATOM 395 CZ TYR A 23 6.191 -24.168 -12.636 1.00 0.00 C ATOM 396 OH TYR A 23 6.929 -24.121 -13.778 1.00 0.00 O ATOM 0 H TYR A 23 1.605 -23.622 -10.244 1.00 0.00 H new ATOM 0 HA TYR A 23 2.764 -26.210 -9.381 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.574 -23.352 -8.682 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.416 -24.813 -8.203 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.258 -26.367 -10.184 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.255 -22.197 -10.618 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.595 -26.265 -12.279 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.601 -22.086 -12.706 1.00 0.00 H new ATOM 0 HH TYR A 23 6.896 -23.216 -14.152 1.00 0.00 H new ATOM 406 N THR A 24 0.674 -24.326 -7.796 1.00 0.00 N ATOM 407 CA THR A 24 -0.211 -24.203 -6.625 1.00 0.00 C ATOM 408 C THR A 24 -1.543 -24.940 -6.801 1.00 0.00 C ATOM 409 O THR A 24 -2.019 -25.577 -5.862 1.00 0.00 O ATOM 410 CB THR A 24 -0.495 -22.727 -6.313 1.00 0.00 C ATOM 411 OG1 THR A 24 -1.105 -22.128 -7.429 1.00 0.00 O ATOM 412 CG2 THR A 24 0.757 -21.909 -5.993 1.00 0.00 C ATOM 0 H THR A 24 0.423 -23.693 -8.556 1.00 0.00 H new ATOM 0 HA THR A 24 0.321 -24.669 -5.796 1.00 0.00 H new ATOM 0 HB THR A 24 -1.134 -22.726 -5.430 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.428 -21.949 -8.115 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.474 -20.877 -5.784 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.255 -22.333 -5.121 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.435 -21.933 -6.846 1.00 0.00 H new ATOM 420 N HIS A 25 -2.138 -24.892 -8.001 1.00 0.00 N ATOM 421 CA HIS A 25 -3.498 -25.366 -8.342 1.00 0.00 C ATOM 422 C HIS A 25 -4.623 -24.908 -7.378 1.00 0.00 C ATOM 423 O HIS A 25 -5.689 -25.525 -7.328 1.00 0.00 O ATOM 424 CB HIS A 25 -3.459 -26.890 -8.591 1.00 0.00 C ATOM 425 CG HIS A 25 -2.842 -27.254 -9.921 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.537 -27.496 -11.094 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.507 -27.364 -10.202 1.00 0.00 C ATOM 428 CE1 HIS A 25 -2.639 -27.747 -12.069 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.398 -27.681 -11.544 1.00 0.00 N ATOM 0 H HIS A 25 -1.659 -24.499 -8.812 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.791 -24.869 -9.267 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.894 -27.369 -7.791 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.473 -27.286 -8.546 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.692 -27.229 -9.507 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.875 -27.965 -13.100 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.527 -27.838 -12.051 1.00 0.00 H new ATOM 438 N ASN A 26 -4.415 -23.830 -6.612 1.00 0.00 N ATOM 439 CA ASN A 26 -5.369 -23.344 -5.604 1.00 0.00 C ATOM 440 C ASN A 26 -6.445 -22.400 -6.190 1.00 0.00 C ATOM 441 O ASN A 26 -6.159 -21.642 -7.120 1.00 0.00 O ATOM 442 CB ASN A 26 -4.589 -22.670 -4.454 1.00 0.00 C ATOM 443 CG ASN A 26 -4.306 -23.662 -3.334 1.00 0.00 C ATOM 444 OD1 ASN A 26 -3.440 -24.516 -3.423 1.00 0.00 O ATOM 445 ND2 ASN A 26 -5.049 -23.614 -2.251 1.00 0.00 N ATOM 0 H ASN A 26 -3.569 -23.263 -6.675 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.919 -24.203 -5.220 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.650 -22.267 -4.834 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.163 -21.829 -4.064 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.898 -24.286 -1.498 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.777 -22.905 -2.163 1.00 0.00 H new ATOM 452 N PRO A 27 -7.654 -22.349 -5.588 1.00 0.00 N ATOM 453 CA PRO A 27 -8.727 -21.430 -5.993 1.00 0.00 C ATOM 454 C PRO A 27 -8.439 -19.955 -5.656 1.00 0.00 C ATOM 455 O PRO A 27 -9.186 -19.068 -6.067 1.00 0.00 O ATOM 456 CB PRO A 27 -9.977 -21.933 -5.258 1.00 0.00 C ATOM 457 CG PRO A 27 -9.412 -22.559 -3.986 1.00 0.00 C ATOM 458 CD PRO A 27 -8.106 -23.178 -4.474 1.00 0.00 C ATOM 0 HA PRO A 27 -8.841 -21.435 -7.077 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.666 -21.119 -5.033 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.528 -22.661 -5.854 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.242 -21.814 -3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.085 -23.308 -3.569 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.363 -23.198 -3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.259 -24.209 -4.793 1.00 0.00 H new ATOM 466 N VAL A 28 -7.363 -19.663 -4.915 1.00 0.00 N ATOM 467 CA VAL A 28 -7.020 -18.308 -4.464 1.00 0.00 C ATOM 468 C VAL A 28 -6.534 -17.422 -5.600 1.00 0.00 C ATOM 469 O VAL A 28 -6.822 -16.233 -5.622 1.00 0.00 O ATOM 470 CB VAL A 28 -6.006 -18.392 -3.308 1.00 0.00 C ATOM 471 CG1 VAL A 28 -4.539 -18.563 -3.719 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.156 -17.185 -2.393 1.00 0.00 C ATOM 0 H VAL A 28 -6.697 -20.371 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.926 -17.828 -4.095 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.257 -19.315 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.914 -18.610 -2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.426 -19.484 -4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.232 -17.716 -4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.435 -17.254 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.976 -16.273 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.165 -17.163 -1.982 1.00 0.00 H new ATOM 482 N LEU A 29 -5.860 -17.987 -6.597 1.00 0.00 N ATOM 483 CA LEU A 29 -5.406 -17.253 -7.777 1.00 0.00 C ATOM 484 C LEU A 29 -6.587 -16.764 -8.637 1.00 0.00 C ATOM 485 O LEU A 29 -6.532 -15.661 -9.187 1.00 0.00 O ATOM 486 CB LEU A 29 -4.418 -18.127 -8.562 1.00 0.00 C ATOM 487 CG LEU A 29 -3.142 -18.473 -7.769 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.234 -19.821 -7.053 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.939 -18.541 -8.703 1.00 0.00 C ATOM 0 H LEU A 29 -5.611 -18.976 -6.610 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.886 -16.348 -7.462 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.916 -19.051 -8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.137 -17.610 -9.480 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.031 -17.682 -7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.307 -20.010 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.067 -19.804 -6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.394 -20.612 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.046 -18.786 -8.128 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.107 -19.309 -9.458 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.803 -17.576 -9.192 1.00 0.00 H new ATOM 501 N ALA A 30 -7.699 -17.511 -8.633 1.00 0.00 N ATOM 502 CA ALA A 30 -9.007 -17.099 -9.157 1.00 0.00 C ATOM 503 C ALA A 30 -9.722 -16.019 -8.299 1.00 0.00 C ATOM 504 O ALA A 30 -10.868 -15.666 -8.587 1.00 0.00 O ATOM 505 CB ALA A 30 -9.875 -18.352 -9.346 1.00 0.00 C ATOM 0 H ALA A 30 -7.712 -18.456 -8.249 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.843 -16.609 -10.117 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.851 -18.063 -9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.390 -19.028 -10.050 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.001 -18.855 -8.387 1.00 0.00 H new ATOM 511 N LYS A 31 -9.048 -15.467 -7.279 1.00 0.00 N ATOM 512 CA LYS A 31 -9.408 -14.254 -6.535 1.00 0.00 C ATOM 513 C LYS A 31 -8.311 -13.189 -6.645 1.00 0.00 C ATOM 514 O LYS A 31 -8.618 -12.038 -6.936 1.00 0.00 O ATOM 515 CB LYS A 31 -9.686 -14.570 -5.047 1.00 0.00 C ATOM 516 CG LYS A 31 -10.728 -15.662 -4.732 1.00 0.00 C ATOM 517 CD LYS A 31 -12.190 -15.188 -4.716 1.00 0.00 C ATOM 518 CE LYS A 31 -12.675 -14.702 -6.085 1.00 0.00 C ATOM 519 NZ LYS A 31 -14.119 -14.357 -6.074 1.00 0.00 N ATOM 0 H LYS A 31 -8.184 -15.883 -6.931 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.321 -13.861 -6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.743 -14.861 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.008 -13.648 -4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.629 -16.459 -5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.493 -16.096 -3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.828 -16.005 -4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.297 -14.381 -3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.096 -13.829 -6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.493 -15.477 -6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.406 -14.033 -7.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.674 -15.196 -5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.290 -13.600 -5.382 1.00 0.00 H new ATOM 533 N ILE A 32 -7.039 -13.569 -6.489 1.00 0.00 N ATOM 534 CA ILE A 32 -5.908 -12.629 -6.453 1.00 0.00 C ATOM 535 C ILE A 32 -5.745 -11.895 -7.785 1.00 0.00 C ATOM 536 O ILE A 32 -5.975 -10.689 -7.850 1.00 0.00 O ATOM 537 CB ILE A 32 -4.588 -13.310 -6.030 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.626 -13.963 -4.632 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.478 -12.251 -6.006 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.527 -15.025 -4.470 1.00 0.00 C ATOM 0 H ILE A 32 -6.760 -14.544 -6.383 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.145 -11.890 -5.688 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.413 -14.104 -6.756 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.505 -13.195 -3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.602 -14.422 -4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.538 -12.716 -5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.369 -11.815 -6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.737 -11.468 -5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.587 -15.461 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.664 -15.807 -5.217 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.550 -14.561 -4.605 1.00 0.00 H new ATOM 552 N LEU A 33 -5.381 -12.600 -8.862 1.00 0.00 N ATOM 553 CA LEU A 33 -5.200 -11.953 -10.163 1.00 0.00 C ATOM 554 C LEU A 33 -6.558 -11.596 -10.788 1.00 0.00 C ATOM 555 O LEU A 33 -6.628 -10.714 -11.634 1.00 0.00 O ATOM 556 CB LEU A 33 -4.266 -12.792 -11.060 1.00 0.00 C ATOM 557 CG LEU A 33 -4.964 -13.752 -12.042 1.00 0.00 C ATOM 558 CD1 LEU A 33 -4.913 -13.233 -13.479 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.371 -15.160 -12.032 1.00 0.00 C ATOM 0 H LEU A 33 -5.208 -13.605 -8.858 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.690 -10.998 -10.037 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.636 -12.112 -11.633 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.605 -13.375 -10.419 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.995 -13.800 -11.693 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.416 -13.939 -14.139 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.412 -12.266 -13.534 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.874 -13.123 -13.790 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.907 -15.786 -12.745 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.318 -15.113 -12.310 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.464 -15.587 -11.033 1.00 0.00 H new ATOM 571 N GLU A 34 -7.637 -12.251 -10.338 1.00 0.00 N ATOM 572 CA GLU A 34 -9.007 -11.888 -10.693 1.00 0.00 C ATOM 573 C GLU A 34 -9.326 -10.449 -10.245 1.00 0.00 C ATOM 574 O GLU A 34 -9.932 -9.693 -11.004 1.00 0.00 O ATOM 575 CB GLU A 34 -9.972 -12.938 -10.118 1.00 0.00 C ATOM 576 CG GLU A 34 -11.400 -12.897 -10.681 1.00 0.00 C ATOM 577 CD GLU A 34 -12.377 -12.094 -9.799 1.00 0.00 C ATOM 578 OE1 GLU A 34 -12.816 -12.601 -8.739 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.751 -10.964 -10.193 1.00 0.00 O ATOM 0 H GLU A 34 -7.578 -13.054 -9.712 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.130 -11.891 -11.776 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.556 -13.929 -10.301 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.022 -12.808 -9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.378 -12.459 -11.679 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.771 -13.916 -10.788 1.00 0.00 H new ATOM 586 N ASP A 35 -8.828 -10.017 -9.078 1.00 0.00 N ATOM 587 CA ASP A 35 -8.859 -8.616 -8.672 1.00 0.00 C ATOM 588 C ASP A 35 -7.854 -7.741 -9.419 1.00 0.00 C ATOM 589 O ASP A 35 -8.241 -6.681 -9.917 1.00 0.00 O ATOM 590 CB ASP A 35 -8.561 -8.500 -7.179 1.00 0.00 C ATOM 591 CG ASP A 35 -9.543 -9.170 -6.210 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.751 -9.311 -6.530 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.082 -9.493 -5.089 1.00 0.00 O ATOM 0 H ASP A 35 -8.393 -10.634 -8.392 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.860 -8.259 -8.913 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.571 -8.920 -6.999 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.509 -7.441 -6.927 1.00 0.00 H new ATOM 598 N GLU A 36 -6.589 -8.163 -9.562 1.00 0.00 N ATOM 599 CA GLU A 36 -5.609 -7.384 -10.326 1.00 0.00 C ATOM 600 C GLU A 36 -6.068 -7.087 -11.768 1.00 0.00 C ATOM 601 O GLU A 36 -5.672 -6.073 -12.343 1.00 0.00 O ATOM 602 CB GLU A 36 -4.251 -8.088 -10.373 1.00 0.00 C ATOM 603 CG GLU A 36 -3.598 -8.429 -9.033 1.00 0.00 C ATOM 604 CD GLU A 36 -3.139 -7.244 -8.188 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.322 -6.041 -8.506 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.569 -7.469 -7.095 1.00 0.00 O ATOM 0 H GLU A 36 -6.226 -9.029 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.516 -6.435 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.369 -9.013 -10.937 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.562 -7.457 -10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.305 -9.015 -8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.736 -9.068 -9.224 1.00 0.00 H new ATOM 613 N GLU A 37 -6.950 -7.923 -12.333 1.00 0.00 N ATOM 614 CA GLU A 37 -7.496 -7.756 -13.689 1.00 0.00 C ATOM 615 C GLU A 37 -8.355 -6.486 -13.797 1.00 0.00 C ATOM 616 O GLU A 37 -8.388 -5.835 -14.845 1.00 0.00 O ATOM 617 CB GLU A 37 -8.318 -8.997 -14.082 1.00 0.00 C ATOM 618 CG GLU A 37 -8.553 -9.095 -15.594 1.00 0.00 C ATOM 619 CD GLU A 37 -9.398 -10.334 -15.950 1.00 0.00 C ATOM 620 OE1 GLU A 37 -8.835 -11.450 -16.063 1.00 0.00 O ATOM 621 OE2 GLU A 37 -10.631 -10.199 -16.142 1.00 0.00 O ATOM 0 H GLU A 37 -7.311 -8.748 -11.854 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.660 -7.648 -14.380 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.801 -9.894 -13.740 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.280 -8.968 -13.570 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.058 -8.195 -15.945 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.595 -9.145 -16.111 1.00 0.00 H new ATOM 628 N LYS A 38 -9.004 -6.101 -12.689 1.00 0.00 N ATOM 629 CA LYS A 38 -9.686 -4.813 -12.539 1.00 0.00 C ATOM 630 C LYS A 38 -8.745 -3.704 -12.096 1.00 0.00 C ATOM 631 O LYS A 38 -8.826 -2.619 -12.658 1.00 0.00 O ATOM 632 CB LYS A 38 -10.828 -4.912 -11.519 1.00 0.00 C ATOM 633 CG LYS A 38 -12.071 -5.632 -12.055 1.00 0.00 C ATOM 634 CD LYS A 38 -12.232 -7.085 -11.598 1.00 0.00 C ATOM 635 CE LYS A 38 -12.536 -7.147 -10.093 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.341 -8.343 -9.740 1.00 0.00 N ATOM 0 H LYS A 38 -9.069 -6.689 -11.858 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.079 -4.566 -13.525 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.468 -5.436 -10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.109 -3.908 -11.202 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.955 -5.072 -11.750 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.041 -5.612 -13.144 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.038 -7.561 -12.157 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.321 -7.643 -11.814 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.600 -7.161 -9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.073 -6.247 -9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.611 -8.296 -8.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.198 -8.370 -10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.779 -9.202 -9.907 1.00 0.00 H new ATOM 650 N HIS A 39 -7.872 -3.943 -11.113 1.00 0.00 N ATOM 651 CA HIS A 39 -7.122 -2.930 -10.376 1.00 0.00 C ATOM 652 C HIS A 39 -6.427 -1.874 -11.243 1.00 0.00 C ATOM 653 O HIS A 39 -6.518 -0.686 -10.938 1.00 0.00 O ATOM 654 CB HIS A 39 -6.100 -3.671 -9.524 1.00 0.00 C ATOM 655 CG HIS A 39 -6.594 -4.276 -8.240 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.743 -4.621 -7.191 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.887 -4.527 -7.879 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.548 -5.060 -6.211 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.837 -5.006 -6.590 1.00 0.00 N ATOM 0 H HIS A 39 -7.662 -4.890 -10.798 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.833 -2.358 -9.781 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.667 -4.467 -10.130 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.293 -2.979 -9.284 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.725 -4.554 -7.172 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.770 -4.379 -8.483 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.207 -5.410 -5.248 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.639 -5.274 -6.020 1.00 0.00 H new ATOM 667 N ILE A 40 -5.772 -2.289 -12.332 1.00 0.00 N ATOM 668 CA ILE A 40 -5.075 -1.364 -13.244 1.00 0.00 C ATOM 669 C ILE A 40 -6.054 -0.395 -13.909 1.00 0.00 C ATOM 670 O ILE A 40 -5.849 0.818 -13.874 1.00 0.00 O ATOM 671 CB ILE A 40 -4.267 -2.140 -14.309 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.213 -3.004 -13.599 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.564 -1.175 -15.279 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.282 -3.773 -14.540 1.00 0.00 C ATOM 0 H ILE A 40 -5.708 -3.269 -12.609 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.377 -0.777 -12.647 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.951 -2.765 -14.883 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.610 -2.363 -12.956 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.723 -3.717 -12.951 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.003 -1.747 -16.018 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.309 -0.561 -15.785 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.882 -0.533 -14.722 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.571 -4.355 -13.953 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.871 -4.443 -15.166 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.740 -3.069 -15.171 1.00 0.00 H new ATOM 686 N GLU A 41 -7.139 -0.917 -14.484 1.00 0.00 N ATOM 687 CA GLU A 41 -8.191 -0.081 -15.061 1.00 0.00 C ATOM 688 C GLU A 41 -8.920 0.729 -13.984 1.00 0.00 C ATOM 689 O GLU A 41 -9.188 1.905 -14.193 1.00 0.00 O ATOM 690 CB GLU A 41 -9.160 -0.915 -15.912 1.00 0.00 C ATOM 691 CG GLU A 41 -8.460 -1.460 -17.167 1.00 0.00 C ATOM 692 CD GLU A 41 -9.469 -2.077 -18.154 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.052 -1.329 -18.977 1.00 0.00 O ATOM 694 OE2 GLU A 41 -9.676 -3.315 -18.131 1.00 0.00 O ATOM 0 H GLU A 41 -7.312 -1.919 -14.562 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.716 0.638 -15.728 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.550 -1.743 -15.320 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.013 -0.303 -16.204 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.914 -0.655 -17.659 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.726 -2.212 -16.878 1.00 0.00 H new ATOM 701 N TRP A 42 -9.145 0.156 -12.801 1.00 0.00 N ATOM 702 CA TRP A 42 -9.742 0.815 -11.638 1.00 0.00 C ATOM 703 C TRP A 42 -9.040 2.114 -11.189 1.00 0.00 C ATOM 704 O TRP A 42 -9.745 3.041 -10.792 1.00 0.00 O ATOM 705 CB TRP A 42 -9.880 -0.242 -10.525 1.00 0.00 C ATOM 706 CG TRP A 42 -11.156 -1.034 -10.491 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.131 -1.032 -11.430 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.590 -1.999 -9.480 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.159 -1.868 -11.042 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.871 -2.506 -9.856 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.007 -2.537 -8.311 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.545 -3.482 -9.106 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.664 -3.532 -7.563 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.933 -3.999 -7.951 1.00 0.00 C ATOM 0 H TRP A 42 -8.907 -0.819 -12.619 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.727 1.190 -11.917 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.049 -0.942 -10.618 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.768 0.261 -9.564 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.108 -0.461 -12.347 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.023 -1.997 -11.568 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.041 -2.179 -7.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.520 -3.831 -9.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.190 -3.941 -6.683 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.436 -4.753 -7.363 1.00 0.00 H new ATOM 725 N LEU A 43 -7.711 2.263 -11.317 1.00 0.00 N ATOM 726 CA LEU A 43 -7.019 3.548 -11.072 1.00 0.00 C ATOM 727 C LEU A 43 -6.852 4.447 -12.315 1.00 0.00 C ATOM 728 O LEU A 43 -6.582 5.636 -12.174 1.00 0.00 O ATOM 729 CB LEU A 43 -5.728 3.331 -10.263 1.00 0.00 C ATOM 730 CG LEU A 43 -4.533 2.837 -11.094 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.457 3.917 -11.210 1.00 0.00 C ATOM 732 CD2 LEU A 43 -3.890 1.616 -10.446 1.00 0.00 C ATOM 0 H LEU A 43 -7.086 1.505 -11.591 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.688 4.143 -10.451 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.455 4.269 -9.779 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.927 2.609 -9.471 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.919 2.585 -12.082 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.624 3.539 -11.803 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.877 4.798 -11.695 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.102 4.185 -10.215 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.047 1.284 -11.052 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.539 1.876 -9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.624 0.813 -10.375 1.00 0.00 H new ATOM 744 N GLU A 44 -7.082 3.926 -13.523 1.00 0.00 N ATOM 745 CA GLU A 44 -7.176 4.692 -14.774 1.00 0.00 C ATOM 746 C GLU A 44 -8.564 5.334 -14.955 1.00 0.00 C ATOM 747 O GLU A 44 -8.675 6.472 -15.411 1.00 0.00 O ATOM 748 CB GLU A 44 -6.886 3.721 -15.935 1.00 0.00 C ATOM 749 CG GLU A 44 -5.605 4.047 -16.714 1.00 0.00 C ATOM 750 CD GLU A 44 -5.824 5.174 -17.740 1.00 0.00 C ATOM 751 OE1 GLU A 44 -6.314 4.889 -18.861 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.491 6.346 -17.443 1.00 0.00 O ATOM 0 H GLU A 44 -7.213 2.924 -13.665 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.454 5.508 -14.752 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.810 2.709 -15.538 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.731 3.731 -16.624 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.821 4.340 -16.016 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.256 3.152 -17.228 1.00 0.00 H new ATOM 759 N THR A 45 -9.629 4.644 -14.535 1.00 0.00 N ATOM 760 CA THR A 45 -11.007 5.139 -14.465 1.00 0.00 C ATOM 761 C THR A 45 -11.108 6.457 -13.692 1.00 0.00 C ATOM 762 O THR A 45 -11.814 7.370 -14.120 1.00 0.00 O ATOM 763 CB THR A 45 -11.932 4.075 -13.854 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.016 2.945 -14.701 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.366 4.544 -13.614 1.00 0.00 C ATOM 0 H THR A 45 -9.549 3.677 -14.219 1.00 0.00 H new ATOM 0 HA THR A 45 -11.332 5.341 -15.486 1.00 0.00 H new ATOM 0 HB THR A 45 -11.477 3.845 -12.891 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.173 2.446 -14.666 1.00 0.00 H new ATOM 0 HG21 THR A 45 -13.947 3.730 -13.181 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.362 5.391 -12.928 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.813 4.846 -14.561 1.00 0.00 H new ATOM 773 N ILE A 46 -10.344 6.590 -12.599 1.00 0.00 N ATOM 774 CA ILE A 46 -10.233 7.824 -11.798 1.00 0.00 C ATOM 775 C ILE A 46 -9.794 9.023 -12.655 1.00 0.00 C ATOM 776 O ILE A 46 -10.330 10.125 -12.528 1.00 0.00 O ATOM 777 CB ILE A 46 -9.257 7.622 -10.609 1.00 0.00 C ATOM 778 CG1 ILE A 46 -9.639 6.387 -9.759 1.00 0.00 C ATOM 779 CG2 ILE A 46 -9.207 8.878 -9.723 1.00 0.00 C ATOM 780 CD1 ILE A 46 -8.721 6.113 -8.561 1.00 0.00 C ATOM 0 H ILE A 46 -9.772 5.827 -12.236 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.225 8.045 -11.403 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.267 7.448 -11.031 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.658 6.517 -9.394 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.641 5.508 -10.404 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.516 8.713 -8.896 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.867 9.728 -10.315 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.202 9.085 -9.329 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.071 5.228 -8.029 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.703 5.945 -8.913 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.735 6.970 -7.888 1.00 0.00 H new ATOM 792 N LEU A 47 -8.828 8.793 -13.545 1.00 0.00 N ATOM 793 CA LEU A 47 -8.225 9.798 -14.420 1.00 0.00 C ATOM 794 C LEU A 47 -9.110 10.170 -15.628 1.00 0.00 C ATOM 795 O LEU A 47 -8.902 11.218 -16.246 1.00 0.00 O ATOM 796 CB LEU A 47 -6.835 9.315 -14.883 1.00 0.00 C ATOM 797 CG LEU A 47 -5.895 8.853 -13.750 1.00 0.00 C ATOM 798 CD1 LEU A 47 -4.555 8.395 -14.325 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.638 9.951 -12.715 1.00 0.00 C ATOM 0 H LEU A 47 -8.429 7.864 -13.681 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.123 10.713 -13.836 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.968 8.490 -15.583 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.350 10.123 -15.431 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.397 8.026 -13.249 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.902 8.072 -13.514 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.719 7.565 -15.012 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.087 9.221 -14.860 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.971 9.572 -11.941 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.177 10.810 -13.203 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.583 10.254 -12.263 1.00 0.00 H new ATOM 811 N GLY A 48 -10.092 9.325 -15.958 1.00 0.00 N ATOM 812 CA GLY A 48 -11.072 9.527 -17.034 1.00 0.00 C ATOM 813 C GLY A 48 -11.480 8.238 -17.766 1.00 0.00 C ATOM 814 O GLY A 48 -12.466 8.226 -18.501 1.00 0.00 O ATOM 0 H GLY A 48 -10.233 8.444 -15.463 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.965 9.991 -16.615 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.659 10.228 -17.759 1.00 0.00 H new HETATM 818 N NH2 A 49 -10.758 7.136 -17.585 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 10.482 -18.665 -7.033 1.00 0.00 C HETATM 823 O ACE B 0 9.707 -18.202 -6.202 1.00 0.00 O HETATM 824 CH3 ACE B 0 10.384 -20.114 -7.448 1.00 0.00 C HETATM 0 H1 ACE B 0 10.193 -20.173 -8.519 1.00 0.00 H new HETATM 0 H2 ACE B 0 11.320 -20.623 -7.218 1.00 0.00 H new HETATM 0 H3 ACE B 0 9.568 -20.593 -6.907 1.00 0.00 H new ATOM 828 N ASP B 1 11.431 -17.944 -7.631 1.00 0.00 N ATOM 829 CA ASP B 1 11.725 -16.527 -7.342 1.00 0.00 C ATOM 830 C ASP B 1 10.513 -15.589 -7.496 1.00 0.00 C ATOM 831 O ASP B 1 10.406 -14.569 -6.815 1.00 0.00 O ATOM 832 CB ASP B 1 12.858 -16.069 -8.268 1.00 0.00 C ATOM 833 CG ASP B 1 13.410 -14.682 -7.889 1.00 0.00 C ATOM 834 OD1 ASP B 1 13.962 -14.529 -6.773 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.326 -13.750 -8.724 1.00 0.00 O ATOM 0 H ASP B 1 12.038 -18.335 -8.352 1.00 0.00 H new ATOM 0 HA ASP B 1 12.013 -16.466 -6.293 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.667 -16.799 -8.235 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.494 -16.043 -9.295 1.00 0.00 H new ATOM 840 N TYR B 2 9.573 -15.973 -8.363 1.00 0.00 N ATOM 841 CA TYR B 2 8.303 -15.272 -8.582 1.00 0.00 C ATOM 842 C TYR B 2 7.513 -15.023 -7.289 1.00 0.00 C ATOM 843 O TYR B 2 6.949 -13.947 -7.120 1.00 0.00 O ATOM 844 CB TYR B 2 7.453 -16.028 -9.613 1.00 0.00 C ATOM 845 CG TYR B 2 6.811 -17.328 -9.157 1.00 0.00 C ATOM 846 CD1 TYR B 2 7.506 -18.549 -9.278 1.00 0.00 C ATOM 847 CD2 TYR B 2 5.497 -17.320 -8.644 1.00 0.00 C ATOM 848 CE1 TYR B 2 6.899 -19.755 -8.870 1.00 0.00 C ATOM 849 CE2 TYR B 2 4.889 -18.522 -8.238 1.00 0.00 C ATOM 850 CZ TYR B 2 5.587 -19.743 -8.347 1.00 0.00 C ATOM 851 OH TYR B 2 4.994 -20.899 -7.942 1.00 0.00 O ATOM 0 H TYR B 2 9.676 -16.802 -8.948 1.00 0.00 H new ATOM 0 HA TYR B 2 8.550 -14.285 -8.973 1.00 0.00 H new ATOM 0 HB2 TYR B 2 6.662 -15.361 -9.954 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.082 -16.245 -10.477 1.00 0.00 H new ATOM 0 HD1 TYR B 2 8.507 -18.561 -9.684 1.00 0.00 H new ATOM 0 HD2 TYR B 2 4.956 -16.389 -8.563 1.00 0.00 H new ATOM 0 HE1 TYR B 2 7.437 -20.687 -8.957 1.00 0.00 H new ATOM 0 HE2 TYR B 2 3.884 -18.510 -7.842 1.00 0.00 H new ATOM 0 HH TYR B 2 4.093 -20.705 -7.609 1.00 0.00 H new ATOM 861 N LEU B 3 7.514 -15.974 -6.350 1.00 0.00 N ATOM 862 CA LEU B 3 6.838 -15.855 -5.044 1.00 0.00 C ATOM 863 C LEU B 3 7.446 -14.746 -4.180 1.00 0.00 C ATOM 864 O LEU B 3 6.723 -13.966 -3.557 1.00 0.00 O ATOM 865 CB LEU B 3 6.914 -17.182 -4.266 1.00 0.00 C ATOM 866 CG LEU B 3 6.094 -18.321 -4.886 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.369 -19.624 -4.135 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.585 -18.055 -4.829 1.00 0.00 C ATOM 0 H LEU B 3 7.992 -16.867 -6.474 1.00 0.00 H new ATOM 0 HA LEU B 3 5.799 -15.604 -5.256 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.957 -17.493 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.568 -17.013 -3.246 1.00 0.00 H new ATOM 0 HG LEU B 3 6.396 -18.392 -5.931 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.785 -20.430 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.430 -19.866 -4.202 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.089 -19.507 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.051 -18.891 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.274 -17.944 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.356 -17.140 -5.376 1.00 0.00 H new ATOM 880 N ARG B 4 8.782 -14.663 -4.166 1.00 0.00 N ATOM 881 CA ARG B 4 9.524 -13.603 -3.467 1.00 0.00 C ATOM 882 C ARG B 4 9.246 -12.233 -4.091 1.00 0.00 C ATOM 883 O ARG B 4 9.014 -11.273 -3.361 1.00 0.00 O ATOM 884 CB ARG B 4 11.026 -13.946 -3.444 1.00 0.00 C ATOM 885 CG ARG B 4 11.786 -13.090 -2.417 1.00 0.00 C ATOM 886 CD ARG B 4 13.237 -13.551 -2.219 1.00 0.00 C ATOM 887 NE ARG B 4 14.103 -13.221 -3.369 1.00 0.00 N ATOM 888 CZ ARG B 4 15.422 -13.312 -3.404 1.00 0.00 C ATOM 889 NH1 ARG B 4 16.115 -13.788 -2.406 1.00 0.00 N ATOM 890 NH2 ARG B 4 16.082 -12.918 -4.455 1.00 0.00 N ATOM 0 H ARG B 4 9.384 -15.334 -4.643 1.00 0.00 H new ATOM 0 HA ARG B 4 9.181 -13.545 -2.434 1.00 0.00 H new ATOM 0 HB2 ARG B 4 11.155 -15.002 -3.205 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.451 -13.789 -4.435 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.781 -12.050 -2.742 1.00 0.00 H new ATOM 0 HG3 ARG B 4 11.264 -13.128 -1.461 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.642 -13.087 -1.320 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.252 -14.629 -2.056 1.00 0.00 H new ATOM 0 HE ARG B 4 13.640 -12.892 -4.216 1.00 0.00 H new ATOM 0 HH11 ARG B 4 15.640 -14.106 -1.561 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.131 -13.842 -2.471 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.582 -12.536 -5.258 1.00 0.00 H new ATOM 0 HH22 ARG B 4 17.099 -12.991 -4.475 1.00 0.00 H new ATOM 904 N GLU B 5 9.197 -12.157 -5.422 1.00 0.00 N ATOM 905 CA GLU B 5 8.853 -10.926 -6.156 1.00 0.00 C ATOM 906 C GLU B 5 7.402 -10.467 -5.894 1.00 0.00 C ATOM 907 O GLU B 5 7.152 -9.278 -5.688 1.00 0.00 O ATOM 908 CB GLU B 5 9.122 -11.144 -7.654 1.00 0.00 C ATOM 909 CG GLU B 5 8.885 -9.881 -8.490 1.00 0.00 C ATOM 910 CD GLU B 5 9.374 -10.071 -9.939 1.00 0.00 C ATOM 911 OE1 GLU B 5 8.686 -10.762 -10.729 1.00 0.00 O ATOM 912 OE2 GLU B 5 10.450 -9.524 -10.293 1.00 0.00 O ATOM 0 H GLU B 5 9.396 -12.951 -6.031 1.00 0.00 H new ATOM 0 HA GLU B 5 9.485 -10.117 -5.791 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.151 -11.476 -7.789 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.479 -11.943 -8.021 1.00 0.00 H new ATOM 0 HG2 GLU B 5 7.823 -9.637 -8.491 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.405 -9.038 -8.035 1.00 0.00 H new ATOM 919 N LEU B 6 6.461 -11.415 -5.846 1.00 0.00 N ATOM 920 CA LEU B 6 5.050 -11.227 -5.490 1.00 0.00 C ATOM 921 C LEU B 6 4.879 -10.595 -4.100 1.00 0.00 C ATOM 922 O LEU B 6 4.328 -9.500 -3.966 1.00 0.00 O ATOM 923 CB LEU B 6 4.366 -12.612 -5.547 1.00 0.00 C ATOM 924 CG LEU B 6 3.411 -12.842 -6.723 1.00 0.00 C ATOM 925 CD1 LEU B 6 3.978 -12.518 -8.108 1.00 0.00 C ATOM 926 CD2 LEU B 6 2.989 -14.314 -6.722 1.00 0.00 C ATOM 0 H LEU B 6 6.674 -12.388 -6.066 1.00 0.00 H new ATOM 0 HA LEU B 6 4.590 -10.535 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.142 -13.377 -5.580 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.812 -12.760 -4.620 1.00 0.00 H new ATOM 0 HG LEU B 6 2.583 -12.151 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.221 -12.716 -8.867 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.265 -11.467 -8.147 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.853 -13.140 -8.298 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.308 -14.498 -7.553 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.871 -14.945 -6.829 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.487 -14.548 -5.783 1.00 0.00 H new ATOM 938 N LEU B 7 5.372 -11.282 -3.067 1.00 0.00 N ATOM 939 CA LEU B 7 5.322 -10.874 -1.675 1.00 0.00 C ATOM 940 C LEU B 7 6.016 -9.517 -1.456 1.00 0.00 C ATOM 941 O LEU B 7 5.393 -8.575 -0.959 1.00 0.00 O ATOM 942 CB LEU B 7 5.932 -12.037 -0.874 1.00 0.00 C ATOM 943 CG LEU B 7 6.238 -11.680 0.575 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.041 -11.148 1.362 1.00 0.00 C ATOM 945 CD2 LEU B 7 6.804 -12.893 1.306 1.00 0.00 C ATOM 0 H LEU B 7 5.838 -12.181 -3.193 1.00 0.00 H new ATOM 0 HA LEU B 7 4.303 -10.694 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU B 7 5.244 -12.882 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.851 -12.362 -1.362 1.00 0.00 H new ATOM 0 HG LEU B 7 6.966 -10.871 0.524 1.00 0.00 H new ATOM 0 HD11 LEU B 7 5.349 -10.920 2.382 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.665 -10.243 0.885 1.00 0.00 H new ATOM 0 HD13 LEU B 7 4.254 -11.902 1.381 1.00 0.00 H new ATOM 0 HD21 LEU B 7 7.019 -12.626 2.341 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.076 -13.704 1.284 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.722 -13.217 0.816 1.00 0.00 H new ATOM 957 N LYS B 8 7.289 -9.393 -1.851 1.00 0.00 N ATOM 958 CA LYS B 8 8.125 -8.199 -1.620 1.00 0.00 C ATOM 959 C LYS B 8 7.872 -7.097 -2.664 1.00 0.00 C ATOM 960 O LYS B 8 8.803 -6.598 -3.301 1.00 0.00 O ATOM 961 CB LYS B 8 9.612 -8.591 -1.500 1.00 0.00 C ATOM 962 CG LYS B 8 9.860 -9.611 -0.373 1.00 0.00 C ATOM 963 CD LYS B 8 11.362 -9.757 -0.078 1.00 0.00 C ATOM 964 CE LYS B 8 11.663 -10.863 0.946 1.00 0.00 C ATOM 965 NZ LYS B 8 11.086 -10.576 2.289 1.00 0.00 N ATOM 0 H LYS B 8 7.781 -10.133 -2.351 1.00 0.00 H new ATOM 0 HA LYS B 8 7.831 -7.762 -0.666 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.952 -9.010 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS B 8 10.207 -7.697 -1.315 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.338 -9.294 0.530 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.446 -10.579 -0.657 1.00 0.00 H new ATOM 0 HD2 LYS B 8 11.891 -9.974 -1.006 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.748 -8.808 0.295 1.00 0.00 H new ATOM 0 HE2 LYS B 8 11.266 -11.810 0.579 1.00 0.00 H new ATOM 0 HE3 LYS B 8 12.742 -10.984 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 11.319 -11.353 2.940 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 11.483 -9.687 2.655 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 10.053 -10.487 2.211 1.00 0.00 H new ATOM 979 N GLY B 9 6.604 -6.720 -2.848 1.00 0.00 N ATOM 980 CA GLY B 9 6.206 -5.662 -3.770 1.00 0.00 C ATOM 981 C GLY B 9 4.745 -5.231 -3.750 1.00 0.00 C ATOM 982 O GLY B 9 4.455 -4.042 -3.861 1.00 0.00 O ATOM 0 H GLY B 9 5.820 -7.147 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.819 -4.785 -3.562 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.448 -5.988 -4.782 1.00 0.00 H new ATOM 986 N GLU B 10 3.820 -6.157 -3.517 1.00 0.00 N ATOM 987 CA GLU B 10 2.387 -5.853 -3.342 1.00 0.00 C ATOM 988 C GLU B 10 2.123 -4.811 -2.230 1.00 0.00 C ATOM 989 O GLU B 10 1.207 -3.996 -2.348 1.00 0.00 O ATOM 990 CB GLU B 10 1.640 -7.181 -3.080 1.00 0.00 C ATOM 991 CG GLU B 10 1.442 -8.084 -4.317 1.00 0.00 C ATOM 992 CD GLU B 10 0.067 -7.902 -4.960 1.00 0.00 C ATOM 993 OE1 GLU B 10 -0.368 -6.870 -5.495 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.899 -8.689 -4.889 1.00 0.00 O ATOM 0 H GLU B 10 4.037 -7.151 -3.442 1.00 0.00 H new ATOM 0 HA GLU B 10 2.011 -5.389 -4.254 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.188 -7.744 -2.324 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.661 -6.951 -2.659 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.216 -7.862 -5.052 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.568 -9.127 -4.026 1.00 0.00 H new ATOM 1001 N LEU B 11 2.974 -4.750 -1.198 1.00 0.00 N ATOM 1002 CA LEU B 11 2.915 -3.809 -0.086 1.00 0.00 C ATOM 1003 C LEU B 11 3.632 -2.480 -0.317 1.00 0.00 C ATOM 1004 O LEU B 11 3.317 -1.489 0.342 1.00 0.00 O ATOM 1005 CB LEU B 11 3.371 -4.607 1.141 1.00 0.00 C ATOM 1006 CG LEU B 11 4.890 -4.617 1.344 1.00 0.00 C ATOM 1007 CD1 LEU B 11 5.297 -3.569 2.380 1.00 0.00 C ATOM 1008 CD2 LEU B 11 5.366 -5.993 1.795 1.00 0.00 C ATOM 0 H LEU B 11 3.762 -5.393 -1.118 1.00 0.00 H new ATOM 0 HA LEU B 11 1.900 -3.437 0.057 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.898 -4.190 2.030 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.020 -5.634 1.045 1.00 0.00 H new ATOM 0 HG LEU B 11 5.358 -4.378 0.389 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.379 -3.589 2.512 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.992 -2.580 2.037 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.811 -3.789 3.331 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.447 -5.977 1.933 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.884 -6.254 2.737 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.108 -6.733 1.038 1.00 0.00 H new ATOM 1020 N GLN B 12 4.488 -2.414 -1.334 1.00 0.00 N ATOM 1021 CA GLN B 12 4.919 -1.151 -1.906 1.00 0.00 C ATOM 1022 C GLN B 12 3.722 -0.407 -2.534 1.00 0.00 C ATOM 1023 O GLN B 12 3.675 0.819 -2.496 1.00 0.00 O ATOM 1024 CB GLN B 12 6.057 -1.418 -2.903 1.00 0.00 C ATOM 1025 CG GLN B 12 6.931 -0.179 -3.125 1.00 0.00 C ATOM 1026 CD GLN B 12 8.109 -0.473 -4.055 1.00 0.00 C ATOM 1027 OE1 GLN B 12 8.960 -1.313 -3.786 1.00 0.00 O ATOM 1028 NE2 GLN B 12 8.213 0.201 -5.181 1.00 0.00 N ATOM 0 H GLN B 12 4.898 -3.234 -1.780 1.00 0.00 H new ATOM 0 HA GLN B 12 5.308 -0.492 -1.130 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.676 -2.237 -2.535 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.636 -1.740 -3.856 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.325 0.622 -3.548 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.306 0.178 -2.166 1.00 0.00 H new ATOM 0 HE21 GLN B 12 7.514 0.904 -5.421 1.00 0.00 H new ATOM 0 HE22 GLN B 12 8.993 0.020 -5.813 1.00 0.00 H new ATOM 1037 N GLY B 13 2.704 -1.131 -3.027 1.00 0.00 N ATOM 1038 CA GLY B 13 1.481 -0.539 -3.580 1.00 0.00 C ATOM 1039 C GLY B 13 0.555 0.018 -2.497 1.00 0.00 C ATOM 1040 O GLY B 13 0.064 1.139 -2.628 1.00 0.00 O ATOM 0 H GLY B 13 2.709 -2.151 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.749 0.261 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.946 -1.293 -4.158 1.00 0.00 H new ATOM 1044 N ILE B 14 0.389 -0.717 -1.388 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.444 -0.332 -0.227 1.00 0.00 C ATOM 1046 C ILE B 14 -0.101 1.085 0.240 1.00 0.00 C ATOM 1047 O ILE B 14 -0.991 1.909 0.463 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.262 -1.328 0.949 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.703 -2.769 0.614 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -0.966 -0.861 2.240 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -2.214 -2.983 0.508 1.00 0.00 C ATOM 0 H ILE B 14 0.841 -1.623 -1.265 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.485 -0.359 -0.548 1.00 0.00 H new ATOM 0 HB ILE B 14 0.814 -1.342 1.122 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.244 -3.061 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.311 -3.439 1.380 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -0.805 -1.596 3.029 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.556 0.100 2.551 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.035 -0.757 2.054 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.418 -4.027 0.270 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -2.685 -2.729 1.458 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -2.617 -2.346 -0.279 1.00 0.00 H new ATOM 1063 N LYS B 15 1.201 1.377 0.360 1.00 0.00 N ATOM 1064 CA LYS B 15 1.680 2.612 0.978 1.00 0.00 C ATOM 1065 C LYS B 15 1.393 3.847 0.123 1.00 0.00 C ATOM 1066 O LYS B 15 1.045 4.904 0.649 1.00 0.00 O ATOM 1067 CB LYS B 15 3.170 2.447 1.313 1.00 0.00 C ATOM 1068 CG LYS B 15 3.633 3.490 2.340 1.00 0.00 C ATOM 1069 CD LYS B 15 5.076 3.243 2.807 1.00 0.00 C ATOM 1070 CE LYS B 15 6.107 4.199 2.185 1.00 0.00 C ATOM 1071 NZ LYS B 15 6.296 3.980 0.727 1.00 0.00 N ATOM 0 H LYS B 15 1.947 0.763 0.031 1.00 0.00 H new ATOM 0 HA LYS B 15 1.130 2.787 1.902 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.348 1.445 1.704 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.762 2.543 0.403 1.00 0.00 H new ATOM 0 HG2 LYS B 15 3.560 4.486 1.903 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.966 3.470 3.202 1.00 0.00 H new ATOM 0 HD2 LYS B 15 5.117 3.337 3.892 1.00 0.00 H new ATOM 0 HD3 LYS B 15 5.355 2.217 2.565 1.00 0.00 H new ATOM 0 HE2 LYS B 15 5.789 5.228 2.354 1.00 0.00 H new ATOM 0 HE3 LYS B 15 7.063 4.074 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 7.135 4.502 0.403 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 6.427 2.965 0.543 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 5.458 4.319 0.213 1.00 0.00 H new ATOM 1085 N GLN B 16 1.465 3.690 -1.197 1.00 0.00 N ATOM 1086 CA GLN B 16 1.172 4.741 -2.164 1.00 0.00 C ATOM 1087 C GLN B 16 -0.326 4.909 -2.399 1.00 0.00 C ATOM 1088 O GLN B 16 -0.796 6.041 -2.470 1.00 0.00 O ATOM 1089 CB GLN B 16 1.913 4.434 -3.468 1.00 0.00 C ATOM 1090 CG GLN B 16 3.326 5.036 -3.452 1.00 0.00 C ATOM 1091 CD GLN B 16 4.284 4.332 -2.500 1.00 0.00 C ATOM 1092 OE1 GLN B 16 4.416 4.641 -1.320 1.00 0.00 O ATOM 1093 NE2 GLN B 16 4.991 3.342 -2.979 1.00 0.00 N ATOM 0 H GLN B 16 1.735 2.808 -1.632 1.00 0.00 H new ATOM 0 HA GLN B 16 1.520 5.693 -1.762 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.975 3.355 -3.610 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.352 4.835 -4.312 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.738 4.999 -4.460 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.259 6.088 -3.174 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.893 3.072 -3.958 1.00 0.00 H new ATOM 0 HE22 GLN B 16 5.640 2.839 -2.374 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.100 3.823 -2.428 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.557 3.893 -2.499 1.00 0.00 C ATOM 1104 C TYR B 17 -3.155 4.656 -1.313 1.00 0.00 C ATOM 1105 O TYR B 17 -4.061 5.469 -1.502 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.172 2.491 -2.543 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.131 1.761 -3.873 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.629 2.383 -5.035 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.683 0.425 -3.936 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.643 1.689 -6.258 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.693 -0.272 -5.160 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.170 0.363 -6.327 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.251 -0.314 -7.504 1.00 0.00 O ATOM 0 H TYR B 17 -0.733 2.872 -2.403 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.795 4.431 -3.417 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.662 1.874 -1.803 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.214 2.568 -2.231 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -4.001 3.396 -4.986 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.330 -0.066 -3.041 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -4.017 2.174 -7.148 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.336 -1.290 -5.206 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.930 -1.231 -7.377 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.638 4.435 -0.094 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.154 5.131 1.095 1.00 0.00 C ATOM 1125 C ARG B 18 -2.896 6.649 1.055 1.00 0.00 C ATOM 1126 O ARG B 18 -3.689 7.430 1.578 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.623 4.472 2.372 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.609 4.645 3.536 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.055 4.064 4.841 1.00 0.00 C ATOM 1130 NE ARG B 18 -3.928 4.418 5.978 1.00 0.00 N ATOM 1131 CZ ARG B 18 -3.601 4.418 7.259 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -2.457 3.963 7.685 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -4.430 4.890 8.146 1.00 0.00 N ATOM 0 H ARG B 18 -1.872 3.788 0.093 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.239 5.028 1.096 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -2.451 3.411 2.192 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -1.661 4.911 2.638 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -3.827 5.704 3.673 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -4.551 4.155 3.291 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -2.977 2.980 4.759 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.048 4.444 5.016 1.00 0.00 H new ATOM 0 HE ARG B 18 -4.884 4.691 5.751 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -1.778 3.590 7.022 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -2.241 3.980 8.682 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -5.334 5.261 7.853 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -4.175 4.889 9.134 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.822 7.067 0.383 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.471 8.471 0.121 1.00 0.00 C ATOM 1149 C GLU B 19 -2.263 9.075 -1.062 1.00 0.00 C ATOM 1150 O GLU B 19 -2.645 10.241 -1.040 1.00 0.00 O ATOM 1151 CB GLU B 19 0.039 8.529 -0.187 1.00 0.00 C ATOM 1152 CG GLU B 19 0.716 9.841 0.232 1.00 0.00 C ATOM 1153 CD GLU B 19 1.150 9.812 1.714 1.00 0.00 C ATOM 1154 OE1 GLU B 19 0.277 9.791 2.616 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.376 9.815 1.990 1.00 0.00 O ATOM 0 H GLU B 19 -1.144 6.414 -0.011 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.727 9.060 1.002 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.534 7.700 0.319 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.186 8.383 -1.257 1.00 0.00 H new ATOM 0 HG2 GLU B 19 1.587 10.019 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.030 10.672 0.070 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.532 8.279 -2.098 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.113 8.668 -3.383 1.00 0.00 C ATOM 1164 C ALA B 20 -4.560 9.157 -3.281 1.00 0.00 C ATOM 1165 O ALA B 20 -4.979 9.983 -4.096 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.032 7.470 -4.337 1.00 0.00 C ATOM 0 H ALA B 20 -2.336 7.279 -2.058 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.537 9.514 -3.758 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.461 7.743 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.989 7.183 -4.472 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.588 6.632 -3.917 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.321 8.705 -2.276 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.659 9.239 -2.004 1.00 0.00 C ATOM 1174 C LEU B 21 -6.626 10.748 -1.734 1.00 0.00 C ATOM 1175 O LEU B 21 -7.587 11.433 -2.070 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.345 8.436 -0.887 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.871 8.650 -0.790 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.560 7.357 -0.352 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.256 9.722 0.235 1.00 0.00 C ATOM 0 H LEU B 21 -5.030 7.967 -1.635 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.268 9.117 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.149 7.376 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.892 8.704 0.067 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.190 8.967 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.636 7.522 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.356 6.572 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.180 7.055 0.624 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.340 9.829 0.260 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.898 9.427 1.221 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.804 10.673 -0.046 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.518 11.308 -1.234 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.426 12.766 -1.050 1.00 0.00 C ATOM 1193 C GLU B 22 -5.462 13.556 -2.372 1.00 0.00 C ATOM 1194 O GLU B 22 -5.969 14.679 -2.415 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.167 13.125 -0.258 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.410 12.976 1.251 1.00 0.00 C ATOM 1197 CD GLU B 22 -3.153 13.280 2.092 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -2.527 14.354 1.905 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -2.808 12.470 2.985 1.00 0.00 O ATOM 0 H GLU B 22 -4.686 10.788 -0.954 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.314 13.058 -0.489 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.344 12.480 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.870 14.149 -0.484 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.214 13.647 1.553 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.746 11.961 1.462 1.00 0.00 H new ATOM 1206 N TYR B 23 -4.980 12.944 -3.453 1.00 0.00 N ATOM 1207 CA TYR B 23 -4.937 13.497 -4.813 1.00 0.00 C ATOM 1208 C TYR B 23 -6.054 12.979 -5.747 1.00 0.00 C ATOM 1209 O TYR B 23 -6.143 13.429 -6.892 1.00 0.00 O ATOM 1210 CB TYR B 23 -3.547 13.211 -5.403 1.00 0.00 C ATOM 1211 CG TYR B 23 -2.408 13.920 -4.692 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.326 15.327 -4.735 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -1.432 13.180 -3.995 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.275 15.996 -4.079 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -0.377 13.846 -3.340 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.296 15.255 -3.379 1.00 0.00 C ATOM 1217 OH TYR B 23 0.726 15.894 -2.743 1.00 0.00 O ATOM 0 H TYR B 23 -4.589 12.003 -3.406 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.119 14.569 -4.739 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.366 12.137 -5.372 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -3.543 13.505 -6.453 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -3.072 15.893 -5.273 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -1.493 12.102 -3.963 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -1.217 17.074 -4.111 1.00 0.00 H new ATOM 0 HE2 TYR B 23 0.371 13.278 -2.807 1.00 0.00 H new ATOM 0 HH TYR B 23 1.307 15.233 -2.311 1.00 0.00 H new ATOM 1227 N THR B 24 -6.928 12.076 -5.279 1.00 0.00 N ATOM 1228 CA THR B 24 -7.988 11.441 -6.102 1.00 0.00 C ATOM 1229 C THR B 24 -9.381 11.423 -5.467 1.00 0.00 C ATOM 1230 O THR B 24 -10.370 11.345 -6.198 1.00 0.00 O ATOM 1231 CB THR B 24 -7.628 9.991 -6.461 1.00 0.00 C ATOM 1232 OG1 THR B 24 -7.394 9.241 -5.300 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.389 9.858 -7.344 1.00 0.00 C ATOM 0 H THR B 24 -6.925 11.757 -4.310 1.00 0.00 H new ATOM 0 HA THR B 24 -8.034 12.076 -6.987 1.00 0.00 H new ATOM 0 HB THR B 24 -8.487 9.620 -7.020 1.00 0.00 H new ATOM 0 HG1 THR B 24 -6.544 9.517 -4.898 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.202 8.805 -7.552 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.551 10.390 -8.281 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.528 10.284 -6.829 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.481 11.509 -4.134 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.705 11.456 -3.311 1.00 0.00 C ATOM 1243 C HIS B 25 -11.827 10.539 -3.860 1.00 0.00 C ATOM 1244 O HIS B 25 -12.969 10.971 -4.032 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.159 12.883 -2.944 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.379 13.439 -1.779 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.682 13.254 -0.439 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.225 14.169 -1.846 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.731 13.869 0.295 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.838 14.438 -0.543 1.00 0.00 N ATOM 0 H HIS B 25 -8.649 11.626 -3.556 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.444 10.947 -2.383 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -11.037 13.536 -3.808 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.221 12.874 -2.699 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.712 14.478 -2.745 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.691 13.901 1.374 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.017 14.975 -0.264 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.500 9.277 -4.175 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.385 8.342 -4.893 1.00 0.00 C ATOM 1261 C ASN B 26 -12.669 7.046 -4.093 1.00 0.00 C ATOM 1262 O ASN B 26 -11.760 6.523 -3.442 1.00 0.00 O ATOM 1263 CB ASN B 26 -11.757 8.042 -6.276 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.554 8.663 -7.412 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.342 8.008 -8.075 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -12.394 9.942 -7.658 1.00 0.00 N ATOM 0 H ASN B 26 -10.597 8.868 -3.934 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.360 8.811 -5.024 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -10.736 8.422 -6.300 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -11.699 6.963 -6.421 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -12.928 10.389 -8.403 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -11.735 10.489 -7.104 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.891 6.472 -4.183 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.268 5.238 -3.477 1.00 0.00 C ATOM 1275 C PRO B 27 -13.604 3.977 -4.054 1.00 0.00 C ATOM 1276 O PRO B 27 -13.624 2.918 -3.432 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.795 5.154 -3.602 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.071 5.841 -4.938 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.026 6.955 -4.965 1.00 0.00 C ATOM 0 HA PRO B 27 -13.929 5.278 -2.442 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -16.143 4.121 -3.600 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.296 5.661 -2.777 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.954 5.156 -5.777 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.086 6.236 -4.988 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.725 7.181 -5.988 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.427 7.875 -4.540 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.999 4.076 -5.240 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.346 2.956 -5.937 1.00 0.00 C ATOM 1289 C VAL B 28 -11.116 2.447 -5.193 1.00 0.00 C ATOM 1290 O VAL B 28 -10.879 1.241 -5.154 1.00 0.00 O ATOM 1291 CB VAL B 28 -11.998 3.328 -7.388 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.905 2.052 -8.215 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -13.033 4.226 -8.086 1.00 0.00 C ATOM 0 H VAL B 28 -12.946 4.954 -5.757 1.00 0.00 H new ATOM 0 HA VAL B 28 -13.066 2.138 -5.959 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.061 3.882 -7.329 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.659 2.304 -9.246 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -11.128 1.407 -7.803 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.862 1.530 -8.188 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.705 4.437 -9.104 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -13.997 3.717 -8.114 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -13.133 5.162 -7.536 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.374 3.316 -4.502 1.00 0.00 N ATOM 1304 CA LEU B 29 -9.268 2.897 -3.646 1.00 0.00 C ATOM 1305 C LEU B 29 -9.749 2.002 -2.488 1.00 0.00 C ATOM 1306 O LEU B 29 -9.063 1.042 -2.145 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.499 4.135 -3.164 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.771 4.890 -4.295 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.606 6.043 -4.861 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.453 5.477 -3.799 1.00 0.00 C ATOM 0 H LEU B 29 -10.524 4.325 -4.522 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.582 2.279 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -9.194 4.816 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.769 3.830 -2.414 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.597 4.153 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -8.048 6.541 -5.654 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.540 5.652 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.825 6.757 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.959 6.004 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.649 6.173 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.808 4.674 -3.443 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.972 2.217 -1.985 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.646 1.342 -1.013 1.00 0.00 C ATOM 1324 C ALA B 30 -12.135 -0.010 -1.598 1.00 0.00 C ATOM 1325 O ALA B 30 -12.809 -0.777 -0.905 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.777 2.126 -0.328 1.00 0.00 C ATOM 0 H ALA B 30 -11.536 3.025 -2.249 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.903 1.049 -0.271 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -13.280 1.483 0.394 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -12.360 2.992 0.187 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -13.494 2.460 -1.078 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.755 -0.335 -2.844 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.746 -1.683 -3.423 1.00 0.00 C ATOM 1334 C LYS B 31 -10.343 -2.114 -3.861 1.00 0.00 C ATOM 1335 O LYS B 31 -9.954 -3.243 -3.581 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.739 -1.800 -4.592 1.00 0.00 C ATOM 1337 CG LYS B 31 -14.204 -1.686 -4.148 1.00 0.00 C ATOM 1338 CD LYS B 31 -15.147 -1.991 -5.320 1.00 0.00 C ATOM 1339 CE LYS B 31 -16.604 -1.974 -4.846 1.00 0.00 C ATOM 1340 NZ LYS B 31 -17.542 -2.320 -5.946 1.00 0.00 N ATOM 0 H LYS B 31 -11.430 0.371 -3.505 1.00 0.00 H new ATOM 0 HA LYS B 31 -12.066 -2.363 -2.634 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.525 -1.020 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.590 -2.756 -5.093 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.397 -2.379 -3.329 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -14.398 -0.683 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -15.006 -1.254 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.907 -2.965 -5.745 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.728 -2.681 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.849 -0.986 -4.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -18.519 -2.299 -5.589 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -17.441 -1.631 -6.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -17.324 -3.273 -6.301 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.554 -1.219 -4.463 1.00 0.00 N ATOM 1355 CA ILE B 32 -8.184 -1.529 -4.921 1.00 0.00 C ATOM 1356 C ILE B 32 -7.277 -1.891 -3.738 1.00 0.00 C ATOM 1357 O ILE B 32 -6.927 -3.060 -3.574 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.575 -0.387 -5.768 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.412 0.028 -6.999 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.200 -0.842 -6.275 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -8.107 1.473 -7.428 1.00 0.00 C ATOM 0 H ILE B 32 -9.841 -0.258 -4.649 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.255 -2.399 -5.573 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.530 0.482 -5.111 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.204 -0.650 -7.827 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.473 -0.068 -6.768 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.753 -0.050 -6.875 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.554 -1.062 -5.425 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.315 -1.738 -6.885 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.714 1.730 -8.296 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.340 2.153 -6.608 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -7.051 1.561 -7.684 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.929 -0.924 -2.880 1.00 0.00 N ATOM 1374 CA LEU B 33 -6.053 -1.188 -1.729 1.00 0.00 C ATOM 1375 C LEU B 33 -6.729 -2.100 -0.699 1.00 0.00 C ATOM 1376 O LEU B 33 -6.051 -2.847 0.005 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.461 0.119 -1.164 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.284 0.897 -0.121 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -6.104 0.378 1.311 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.880 2.372 -0.086 1.00 0.00 C ATOM 0 H LEU B 33 -7.238 0.045 -2.959 1.00 0.00 H new ATOM 0 HA LEU B 33 -5.189 -1.760 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.495 -0.118 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.268 0.788 -2.003 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.319 0.761 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.713 0.972 1.993 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.416 -0.665 1.362 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.055 0.458 1.598 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.478 2.896 0.660 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.824 2.454 0.173 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.049 2.819 -1.066 1.00 0.00 H new ATOM 1392 N GLU B 34 -8.066 -2.090 -0.664 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.852 -3.026 0.141 1.00 0.00 C ATOM 1394 C GLU B 34 -8.586 -4.496 -0.236 1.00 0.00 C ATOM 1395 O GLU B 34 -8.505 -5.345 0.653 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.339 -2.672 0.016 1.00 0.00 C ATOM 1397 CG GLU B 34 -11.304 -3.558 0.823 1.00 0.00 C ATOM 1398 CD GLU B 34 -11.077 -3.520 2.350 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -10.698 -2.457 2.900 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -11.324 -4.553 3.019 1.00 0.00 O ATOM 0 H GLU B 34 -8.633 -1.430 -1.196 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.543 -2.927 1.182 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.475 -1.637 0.331 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.619 -2.725 -1.036 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -12.327 -3.246 0.612 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -11.207 -4.588 0.479 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.404 -4.820 -1.524 1.00 0.00 N ATOM 1408 CA ASP B 35 -8.058 -6.178 -1.951 1.00 0.00 C ATOM 1409 C ASP B 35 -6.573 -6.507 -1.784 1.00 0.00 C ATOM 1410 O ASP B 35 -6.236 -7.592 -1.308 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.385 -6.354 -3.430 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.869 -6.320 -3.821 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.743 -6.670 -2.987 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -10.132 -5.987 -5.003 1.00 0.00 O ATOM 0 H ASP B 35 -8.492 -4.153 -2.291 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.639 -6.845 -1.314 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.869 -5.572 -3.987 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.969 -7.306 -3.759 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.675 -5.577 -2.127 1.00 0.00 N ATOM 1420 CA GLU B 36 -4.229 -5.751 -1.942 1.00 0.00 C ATOM 1421 C GLU B 36 -3.862 -6.070 -0.480 1.00 0.00 C ATOM 1422 O GLU B 36 -2.836 -6.704 -0.228 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.489 -4.481 -2.402 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.691 -4.026 -3.858 1.00 0.00 C ATOM 1425 CD GLU B 36 -3.070 -4.932 -4.916 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.752 -6.115 -4.653 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -2.921 -4.529 -6.100 1.00 0.00 O ATOM 0 H GLU B 36 -5.930 -4.681 -2.541 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.921 -6.603 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.790 -3.662 -1.749 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.422 -4.638 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.761 -3.949 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -3.274 -3.025 -3.970 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.712 -5.688 0.482 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.517 -5.990 1.908 1.00 0.00 C ATOM 1436 C GLU B 37 -4.631 -7.497 2.195 1.00 0.00 C ATOM 1437 O GLU B 37 -3.911 -8.028 3.044 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.539 -5.199 2.742 1.00 0.00 C ATOM 1439 CG GLU B 37 -5.167 -5.168 4.230 1.00 0.00 C ATOM 1440 CD GLU B 37 -6.171 -4.332 5.047 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -5.985 -3.096 5.166 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -7.137 -4.910 5.603 1.00 0.00 O ATOM 0 H GLU B 37 -5.561 -5.156 0.292 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.507 -5.689 2.187 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.604 -4.179 2.363 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.526 -5.646 2.625 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -5.137 -6.186 4.620 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -4.166 -4.753 4.347 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.494 -8.201 1.446 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.579 -9.667 1.453 1.00 0.00 C ATOM 1451 C LYS B 38 -4.483 -10.311 0.624 1.00 0.00 C ATOM 1452 O LYS B 38 -3.882 -11.270 1.095 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.928 -10.160 0.910 1.00 0.00 C ATOM 1454 CG LYS B 38 -8.097 -9.949 1.875 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.036 -8.789 1.524 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.834 -9.101 0.248 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.109 -8.339 0.201 1.00 0.00 N ATOM 0 H LYS B 38 -6.160 -7.761 0.811 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.465 -9.959 2.497 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.143 -9.643 -0.025 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.849 -11.222 0.677 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.682 -10.868 1.917 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.696 -9.780 2.874 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.721 -8.607 2.352 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -8.457 -7.876 1.382 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.232 -8.858 -0.627 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -10.046 -10.169 0.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.622 -8.574 -0.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.694 -8.590 1.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -10.905 -7.319 0.219 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.222 -9.810 -0.587 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.394 -10.437 -1.610 1.00 0.00 C ATOM 1473 C HIS B 39 -2.054 -10.980 -1.101 1.00 0.00 C ATOM 1474 O HIS B 39 -1.687 -12.110 -1.415 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.161 -9.385 -2.684 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.257 -9.174 -3.684 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -4.049 -8.553 -4.920 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.572 -9.516 -3.555 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.266 -8.525 -5.500 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.189 -9.106 -4.712 1.00 0.00 N ATOM 0 H HIS B 39 -4.602 -8.914 -0.891 1.00 0.00 H new ATOM 0 HA HIS B 39 -3.920 -11.315 -1.985 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.968 -8.433 -2.189 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.254 -9.652 -3.227 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.034 -10.010 -2.713 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.472 -8.094 -6.468 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.177 -9.222 -4.935 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.350 -10.192 -0.286 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.053 -10.564 0.298 1.00 0.00 C ATOM 1490 C ILE B 40 -0.129 -11.827 1.164 1.00 0.00 C ATOM 1491 O ILE B 40 0.728 -12.702 1.052 1.00 0.00 O ATOM 1492 CB ILE B 40 0.479 -9.371 1.126 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.697 -8.119 0.249 1.00 0.00 C ATOM 1494 CG2 ILE B 40 1.809 -9.707 1.820 1.00 0.00 C ATOM 1495 CD1 ILE B 40 0.475 -6.815 1.027 1.00 0.00 C ATOM 0 H ILE B 40 -1.667 -9.263 -0.007 1.00 0.00 H new ATOM 0 HA ILE B 40 0.630 -10.797 -0.519 1.00 0.00 H new ATOM 0 HB ILE B 40 -0.284 -9.165 1.877 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.710 -8.132 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.017 -8.152 -0.602 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.150 -8.844 2.391 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.665 -10.553 2.492 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.557 -9.963 1.069 1.00 0.00 H new ATOM 0 HD11 ILE B 40 0.640 -5.964 0.366 1.00 0.00 H new ATOM 0 HD12 ILE B 40 -0.547 -6.787 1.406 1.00 0.00 H new ATOM 0 HD13 ILE B 40 1.173 -6.766 1.863 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.157 -11.956 2.005 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.386 -13.181 2.779 1.00 0.00 C ATOM 1509 C GLU B 41 -2.038 -14.271 1.923 1.00 0.00 C ATOM 1510 O GLU B 41 -1.651 -15.432 2.015 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.199 -12.880 4.046 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.317 -12.191 5.100 1.00 0.00 C ATOM 1513 CD GLU B 41 -2.098 -11.868 6.390 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -2.562 -12.808 7.081 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -2.228 -10.671 6.742 1.00 0.00 O ATOM 0 H GLU B 41 -1.848 -11.224 2.169 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.417 -13.568 3.096 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.046 -12.241 3.798 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.606 -13.806 4.453 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.471 -12.835 5.341 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.909 -11.270 4.684 1.00 0.00 H new ATOM 1522 N TRP B 42 -2.945 -13.910 1.014 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.556 -14.821 0.045 1.00 0.00 C ATOM 1524 C TRP B 42 -2.545 -15.600 -0.810 1.00 0.00 C ATOM 1525 O TRP B 42 -2.777 -16.785 -1.050 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.545 -14.025 -0.818 1.00 0.00 C ATOM 1527 CG TRP B 42 -5.936 -13.865 -0.295 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.398 -14.273 0.908 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.070 -13.243 -0.972 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.747 -13.992 1.002 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.215 -13.347 -0.128 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.232 -12.568 -2.200 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.465 -12.824 -0.497 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.472 -12.019 -2.572 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.591 -12.156 -1.729 1.00 0.00 C ATOM 0 H TRP B 42 -3.284 -12.952 0.929 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.083 -15.595 0.603 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.128 -13.031 -0.978 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.605 -14.507 -1.794 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.804 -14.745 1.677 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.327 -14.231 1.806 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.388 -12.471 -2.867 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.318 -12.933 0.156 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.566 -11.490 -3.509 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.546 -11.749 -2.028 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.412 -15.009 -1.222 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.369 -15.765 -1.940 1.00 0.00 C ATOM 1548 C LEU B 43 0.572 -16.573 -1.017 1.00 0.00 C ATOM 1549 O LEU B 43 1.256 -17.481 -1.489 1.00 0.00 O ATOM 1550 CB LEU B 43 0.357 -14.864 -2.947 1.00 0.00 C ATOM 1551 CG LEU B 43 1.369 -13.906 -2.311 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.794 -14.467 -2.328 1.00 0.00 C ATOM 1553 CD2 LEU B 43 1.366 -12.590 -3.078 1.00 0.00 C ATOM 0 H LEU B 43 -1.195 -14.024 -1.074 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.873 -16.542 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.873 -15.491 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.383 -14.282 -3.497 1.00 0.00 H new ATOM 0 HG LEU B 43 1.070 -13.763 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.473 -13.750 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.823 -15.404 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU B 43 3.102 -14.646 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU B 43 2.085 -11.905 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.640 -12.774 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.370 -12.148 -3.038 1.00 0.00 H new ATOM 1565 N GLU B 44 0.601 -16.280 0.288 1.00 0.00 N ATOM 1566 CA GLU B 44 1.544 -16.865 1.255 1.00 0.00 C ATOM 1567 C GLU B 44 0.926 -17.994 2.102 1.00 0.00 C ATOM 1568 O GLU B 44 1.598 -18.991 2.370 1.00 0.00 O ATOM 1569 CB GLU B 44 2.098 -15.752 2.165 1.00 0.00 C ATOM 1570 CG GLU B 44 3.358 -16.193 2.931 1.00 0.00 C ATOM 1571 CD GLU B 44 3.804 -15.176 4.005 1.00 0.00 C ATOM 1572 OE1 GLU B 44 3.704 -13.944 3.789 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.282 -15.611 5.082 1.00 0.00 O ATOM 0 H GLU B 44 -0.044 -15.614 0.713 1.00 0.00 H new ATOM 0 HA GLU B 44 2.351 -17.323 0.683 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.332 -14.875 1.561 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.329 -15.453 2.877 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.168 -17.155 3.407 1.00 0.00 H new ATOM 0 HG3 GLU B 44 4.172 -16.344 2.222 1.00 0.00 H new ATOM 1580 N THR B 45 -0.358 -17.902 2.476 1.00 0.00 N ATOM 1581 CA THR B 45 -1.071 -18.926 3.270 1.00 0.00 C ATOM 1582 C THR B 45 -1.028 -20.314 2.613 1.00 0.00 C ATOM 1583 O THR B 45 -0.962 -21.334 3.303 1.00 0.00 O ATOM 1584 CB THR B 45 -2.525 -18.464 3.503 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.536 -17.318 4.331 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.437 -19.488 4.177 1.00 0.00 C ATOM 0 H THR B 45 -0.944 -17.103 2.234 1.00 0.00 H new ATOM 0 HA THR B 45 -0.562 -19.030 4.228 1.00 0.00 H new ATOM 0 HB THR B 45 -2.911 -18.282 2.500 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.289 -16.530 3.803 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.435 -19.065 4.294 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.494 -20.386 3.561 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.034 -19.745 5.157 1.00 0.00 H new ATOM 1594 N ILE B 46 -0.989 -20.361 1.277 1.00 0.00 N ATOM 1595 CA ILE B 46 -0.913 -21.589 0.470 1.00 0.00 C ATOM 1596 C ILE B 46 0.402 -22.363 0.687 1.00 0.00 C ATOM 1597 O ILE B 46 0.434 -23.589 0.574 1.00 0.00 O ATOM 1598 CB ILE B 46 -1.078 -21.235 -1.029 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -2.252 -20.269 -1.315 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -1.238 -22.500 -1.890 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -3.595 -20.640 -0.667 1.00 0.00 C ATOM 0 H ILE B 46 -1.010 -19.516 0.705 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.723 -22.243 0.794 1.00 0.00 H new ATOM 0 HB ILE B 46 -0.158 -20.717 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -1.969 -19.273 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -2.395 -20.210 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -1.352 -22.216 -2.936 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.355 -23.130 -1.779 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.121 -23.051 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -4.345 -19.896 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -3.913 -21.620 -1.024 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -3.481 -20.668 0.417 1.00 0.00 H new ATOM 1613 N LEU B 47 1.492 -21.655 1.007 1.00 0.00 N ATOM 1614 CA LEU B 47 2.854 -22.203 1.058 1.00 0.00 C ATOM 1615 C LEU B 47 3.125 -23.078 2.302 1.00 0.00 C ATOM 1616 O LEU B 47 4.114 -23.813 2.332 1.00 0.00 O ATOM 1617 CB LEU B 47 3.869 -21.042 0.970 1.00 0.00 C ATOM 1618 CG LEU B 47 3.659 -20.061 -0.204 1.00 0.00 C ATOM 1619 CD1 LEU B 47 4.733 -18.974 -0.171 1.00 0.00 C ATOM 1620 CD2 LEU B 47 3.705 -20.747 -1.569 1.00 0.00 C ATOM 0 H LEU B 47 1.451 -20.663 1.243 1.00 0.00 H new ATOM 0 HA LEU B 47 2.967 -22.871 0.204 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.831 -20.479 1.902 1.00 0.00 H new ATOM 0 HB3 LEU B 47 4.871 -21.464 0.893 1.00 0.00 H new ATOM 0 HG LEU B 47 2.664 -19.634 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU B 47 4.579 -18.285 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU B 47 4.669 -18.428 0.770 1.00 0.00 H new ATOM 0 HD13 LEU B 47 5.718 -19.433 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU B 47 3.551 -20.006 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU B 47 4.676 -21.223 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU B 47 2.920 -21.502 -1.624 1.00 0.00 H new ATOM 1632 N GLY B 48 2.254 -23.013 3.317 1.00 0.00 N ATOM 1633 CA GLY B 48 2.307 -23.849 4.527 1.00 0.00 C ATOM 1634 C GLY B 48 1.653 -23.220 5.768 1.00 0.00 C ATOM 1635 O GLY B 48 1.276 -23.928 6.703 1.00 0.00 O ATOM 0 H GLY B 48 1.471 -22.360 3.321 1.00 0.00 H new ATOM 0 HA2 GLY B 48 1.818 -24.800 4.317 1.00 0.00 H new ATOM 0 HA3 GLY B 48 3.350 -24.070 4.755 1.00 0.00 H new HETATM 1639 N NH2 B 49 1.486 -21.903 5.804 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -2.843 -4.526 -7.821 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -2.078 -7.501 -5.442 1.00 0.00 ZN