USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 934 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 HIS : no HD1:sc= 0.0285 K(o=-0.28,f=-1.4) USER MOD Set 1.2: A 99 SER OG : rot -110:sc= -0.308 USER MOD Set 2.1: A 53 MET CE :methyl 152:sc= -0.0021 (180deg=-0.0461) USER MOD Set 2.2: A 86 ASN : amide:sc= -0.838 K(o=-0.84,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.0544 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 5 SER OG : rot 180:sc=0.000891 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.00845 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 87:sc= -0.0282 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 167:sc= -0.421 (180deg=-0.843) USER MOD Single : A 33 GLN : amide:sc= -0.419 K(o=-0.42,f=-3.4!) USER MOD Single : A 34 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.052) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.181 K(o=-0.18,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= 1.28 (180deg=0.625) USER MOD Single : A 50 ASN : amide:sc= -0.0472 X(o=-0.047,f=-0.0096) USER MOD Single : A 57 THR OG1 : rot 98:sc= 1.35 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.0534 K(o=-0.053,f=-6.1!) USER MOD Single : A 68 GLN : amide:sc= 0.9 K(o=0.9,f=-6.7!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 83:sc= 0.348 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0334 X(o=-0.033,f=0) USER MOD Single : A 104 SER OG : rot 72:sc= 0.298 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot -32:sc= -0.0165 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.662 8.151 -22.664 1.00 0.00 N ATOM 2 CA GLY A 1 20.074 8.053 -21.261 1.00 0.00 C ATOM 3 C GLY A 1 21.527 7.634 -21.159 1.00 0.00 C ATOM 4 O GLY A 1 22.042 6.951 -22.043 1.00 0.00 O ATOM 0 H1 GLY A 1 18.661 7.884 -22.751 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.790 9.128 -22.996 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.243 7.511 -23.242 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.932 9.014 -20.767 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.444 7.331 -20.741 1.00 0.00 H new ATOM 8 N SER A 2 22.202 8.064 -20.094 1.00 0.00 N ATOM 9 CA SER A 2 23.461 7.493 -19.634 1.00 0.00 C ATOM 10 C SER A 2 23.706 7.949 -18.193 1.00 0.00 C ATOM 11 O SER A 2 23.969 7.120 -17.326 1.00 0.00 O ATOM 12 CB SER A 2 24.628 7.876 -20.563 1.00 0.00 C ATOM 13 OG SER A 2 25.761 7.077 -20.286 1.00 0.00 O ATOM 0 H SER A 2 21.878 8.839 -19.515 1.00 0.00 H new ATOM 0 HA SER A 2 23.399 6.405 -19.660 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.330 7.747 -21.604 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.876 8.929 -20.430 1.00 0.00 H new ATOM 0 HG SER A 2 26.494 7.330 -20.885 1.00 0.00 H new ATOM 19 N SER A 3 23.582 9.253 -17.925 1.00 0.00 N ATOM 20 CA SER A 3 23.827 9.849 -16.619 1.00 0.00 C ATOM 21 C SER A 3 22.827 10.992 -16.386 1.00 0.00 C ATOM 22 O SER A 3 21.952 11.243 -17.226 1.00 0.00 O ATOM 23 CB SER A 3 25.292 10.312 -16.568 1.00 0.00 C ATOM 24 OG SER A 3 25.685 10.631 -15.251 1.00 0.00 O ATOM 0 H SER A 3 23.302 9.934 -18.630 1.00 0.00 H new ATOM 0 HA SER A 3 23.676 9.130 -15.814 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.937 9.527 -16.962 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.422 11.184 -17.210 1.00 0.00 H new ATOM 0 HG SER A 3 26.621 10.920 -15.250 1.00 0.00 H new ATOM 30 N GLY A 4 22.952 11.687 -15.258 1.00 0.00 N ATOM 31 CA GLY A 4 22.179 12.863 -14.888 1.00 0.00 C ATOM 32 C GLY A 4 21.834 12.846 -13.405 1.00 0.00 C ATOM 33 O GLY A 4 22.158 11.897 -12.685 1.00 0.00 O ATOM 0 H GLY A 4 23.631 11.429 -14.542 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.746 13.764 -15.123 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.263 12.901 -15.478 1.00 0.00 H new ATOM 37 N SER A 5 21.141 13.884 -12.948 1.00 0.00 N ATOM 38 CA SER A 5 20.610 13.977 -11.599 1.00 0.00 C ATOM 39 C SER A 5 19.123 14.334 -11.683 1.00 0.00 C ATOM 40 O SER A 5 18.562 14.512 -12.771 1.00 0.00 O ATOM 41 CB SER A 5 21.463 14.961 -10.782 1.00 0.00 C ATOM 42 OG SER A 5 21.220 14.850 -9.391 1.00 0.00 O ATOM 0 H SER A 5 20.930 14.701 -13.521 1.00 0.00 H new ATOM 0 HA SER A 5 20.669 13.027 -11.068 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.519 14.776 -10.981 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.251 15.980 -11.106 1.00 0.00 H new ATOM 0 HG SER A 5 21.783 15.491 -8.908 1.00 0.00 H new ATOM 48 N SER A 6 18.477 14.371 -10.527 1.00 0.00 N ATOM 49 CA SER A 6 17.099 14.727 -10.260 1.00 0.00 C ATOM 50 C SER A 6 16.963 14.641 -8.734 1.00 0.00 C ATOM 51 O SER A 6 17.940 14.396 -8.020 1.00 0.00 O ATOM 52 CB SER A 6 16.138 13.751 -10.967 1.00 0.00 C ATOM 53 OG SER A 6 14.813 14.254 -11.012 1.00 0.00 O ATOM 0 H SER A 6 18.961 14.125 -9.664 1.00 0.00 H new ATOM 0 HA SER A 6 16.845 15.719 -10.633 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.491 13.565 -11.982 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.145 12.793 -10.447 1.00 0.00 H new ATOM 0 HG SER A 6 14.234 13.609 -11.469 1.00 0.00 H new ATOM 59 N GLY A 7 15.738 14.774 -8.244 1.00 0.00 N ATOM 60 CA GLY A 7 15.388 14.553 -6.858 1.00 0.00 C ATOM 61 C GLY A 7 15.032 15.866 -6.187 1.00 0.00 C ATOM 62 O GLY A 7 15.268 16.954 -6.719 1.00 0.00 O ATOM 0 H GLY A 7 14.942 15.046 -8.821 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.545 13.865 -6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.222 14.085 -6.336 1.00 0.00 H new ATOM 66 N THR A 8 14.437 15.734 -5.012 1.00 0.00 N ATOM 67 CA THR A 8 13.926 16.809 -4.185 1.00 0.00 C ATOM 68 C THR A 8 14.208 16.414 -2.724 1.00 0.00 C ATOM 69 O THR A 8 14.498 15.246 -2.425 1.00 0.00 O ATOM 70 CB THR A 8 12.428 16.975 -4.539 1.00 0.00 C ATOM 71 OG1 THR A 8 12.279 17.287 -5.918 1.00 0.00 O ATOM 72 CG2 THR A 8 11.694 18.058 -3.752 1.00 0.00 C ATOM 0 H THR A 8 14.291 14.818 -4.588 1.00 0.00 H new ATOM 0 HA THR A 8 14.396 17.779 -4.348 1.00 0.00 H new ATOM 0 HB THR A 8 11.982 16.016 -4.275 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.327 17.388 -6.130 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.653 18.097 -4.071 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.739 17.828 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.166 19.023 -3.935 1.00 0.00 H new ATOM 80 N VAL A 9 14.156 17.381 -1.809 1.00 0.00 N ATOM 81 CA VAL A 9 14.264 17.181 -0.372 1.00 0.00 C ATOM 82 C VAL A 9 13.114 17.969 0.251 1.00 0.00 C ATOM 83 O VAL A 9 13.241 19.170 0.514 1.00 0.00 O ATOM 84 CB VAL A 9 15.670 17.572 0.139 1.00 0.00 C ATOM 85 CG1 VAL A 9 15.772 17.514 1.670 1.00 0.00 C ATOM 86 CG2 VAL A 9 16.757 16.650 -0.437 1.00 0.00 C ATOM 0 H VAL A 9 14.033 18.361 -2.062 1.00 0.00 H new ATOM 0 HA VAL A 9 14.169 16.134 -0.084 1.00 0.00 H new ATOM 0 HB VAL A 9 15.826 18.597 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.778 17.797 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.050 18.203 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.560 16.501 2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.732 16.955 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 9 16.556 15.621 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.754 16.720 -1.525 1.00 0.00 H new ATOM 96 N ALA A 10 11.979 17.298 0.427 1.00 0.00 N ATOM 97 CA ALA A 10 10.782 17.796 1.079 1.00 0.00 C ATOM 98 C ALA A 10 10.267 16.746 2.065 1.00 0.00 C ATOM 99 O ALA A 10 10.677 15.586 2.021 1.00 0.00 O ATOM 100 CB ALA A 10 9.721 18.131 0.022 1.00 0.00 C ATOM 0 H ALA A 10 11.869 16.339 0.098 1.00 0.00 H new ATOM 0 HA ALA A 10 11.010 18.707 1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.823 18.505 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.109 18.893 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.477 17.233 -0.546 1.00 0.00 H new ATOM 106 N SER A 11 9.353 17.146 2.946 1.00 0.00 N ATOM 107 CA SER A 11 8.486 16.269 3.724 1.00 0.00 C ATOM 108 C SER A 11 7.334 17.128 4.263 1.00 0.00 C ATOM 109 O SER A 11 7.190 18.291 3.860 1.00 0.00 O ATOM 110 CB SER A 11 9.266 15.572 4.853 1.00 0.00 C ATOM 111 OG SER A 11 8.555 14.413 5.252 1.00 0.00 O ATOM 0 H SER A 11 9.191 18.133 3.145 1.00 0.00 H new ATOM 0 HA SER A 11 8.089 15.468 3.101 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.265 15.302 4.511 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.390 16.248 5.699 1.00 0.00 H new ATOM 0 HG SER A 11 9.044 13.960 5.970 1.00 0.00 H new ATOM 117 N ARG A 12 6.494 16.575 5.139 1.00 0.00 N ATOM 118 CA ARG A 12 5.461 17.283 5.894 1.00 0.00 C ATOM 119 C ARG A 12 5.149 16.469 7.152 1.00 0.00 C ATOM 120 O ARG A 12 5.575 15.314 7.236 1.00 0.00 O ATOM 121 CB ARG A 12 4.224 17.454 4.996 1.00 0.00 C ATOM 122 CG ARG A 12 3.250 18.518 5.520 1.00 0.00 C ATOM 123 CD ARG A 12 2.456 19.091 4.346 1.00 0.00 C ATOM 124 NE ARG A 12 1.605 20.214 4.758 1.00 0.00 N ATOM 125 CZ ARG A 12 1.907 21.512 4.658 1.00 0.00 C ATOM 126 NH1 ARG A 12 3.139 21.908 4.362 1.00 0.00 N ATOM 127 NH2 ARG A 12 0.970 22.430 4.840 1.00 0.00 N ATOM 0 H ARG A 12 6.517 15.577 5.350 1.00 0.00 H new ATOM 0 HA ARG A 12 5.792 18.276 6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.546 17.726 3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.704 16.499 4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.573 18.080 6.253 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.798 19.312 6.027 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.145 19.423 3.569 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.837 18.307 3.909 1.00 0.00 H new ATOM 0 HE ARG A 12 0.696 19.981 5.159 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.873 21.217 4.207 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.351 22.903 4.290 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.014 22.147 5.057 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.204 23.420 4.763 1.00 0.00 H new ATOM 141 N LEU A 13 4.400 17.026 8.105 1.00 0.00 N ATOM 142 CA LEU A 13 3.921 16.311 9.280 1.00 0.00 C ATOM 143 C LEU A 13 2.593 16.916 9.720 1.00 0.00 C ATOM 144 O LEU A 13 2.465 18.139 9.774 1.00 0.00 O ATOM 145 CB LEU A 13 4.958 16.406 10.407 1.00 0.00 C ATOM 146 CG LEU A 13 4.534 15.687 11.697 1.00 0.00 C ATOM 147 CD1 LEU A 13 4.249 14.204 11.453 1.00 0.00 C ATOM 148 CD2 LEU A 13 5.661 15.775 12.721 1.00 0.00 C ATOM 0 H LEU A 13 4.107 18.003 8.078 1.00 0.00 H new ATOM 0 HA LEU A 13 3.773 15.258 9.040 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.900 15.983 10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.143 17.457 10.631 1.00 0.00 H new ATOM 0 HG LEU A 13 3.627 16.173 12.056 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.952 13.732 12.389 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.444 14.103 10.725 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.147 13.719 11.071 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.361 15.265 13.637 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.556 15.301 12.318 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.872 16.822 12.941 1.00 0.00 H new ATOM 160 N SER A 14 1.607 16.073 10.025 1.00 0.00 N ATOM 161 CA SER A 14 0.283 16.493 10.461 1.00 0.00 C ATOM 162 C SER A 14 -0.337 15.357 11.273 1.00 0.00 C ATOM 163 O SER A 14 -0.352 14.231 10.778 1.00 0.00 O ATOM 164 CB SER A 14 -0.616 16.812 9.243 1.00 0.00 C ATOM 165 OG SER A 14 0.052 16.762 7.983 1.00 0.00 O ATOM 0 H SER A 14 1.712 15.060 9.974 1.00 0.00 H new ATOM 0 HA SER A 14 0.368 17.395 11.067 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.447 16.107 9.227 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.043 17.806 9.374 1.00 0.00 H new ATOM 0 HG SER A 14 -0.583 16.973 7.267 1.00 0.00 H new ATOM 171 N ASP A 15 -0.884 15.640 12.463 1.00 0.00 N ATOM 172 CA ASP A 15 -1.543 14.655 13.339 1.00 0.00 C ATOM 173 C ASP A 15 -0.600 13.500 13.742 1.00 0.00 C ATOM 174 O ASP A 15 0.604 13.571 13.490 1.00 0.00 O ATOM 175 CB ASP A 15 -2.848 14.190 12.681 1.00 0.00 C ATOM 176 CG ASP A 15 -3.711 13.337 13.593 1.00 0.00 C ATOM 177 OD1 ASP A 15 -4.277 13.865 14.571 1.00 0.00 O ATOM 178 OD2 ASP A 15 -3.785 12.112 13.339 1.00 0.00 O ATOM 0 H ASP A 15 -0.882 16.582 12.855 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.800 15.130 14.286 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.419 15.063 12.365 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.611 13.622 11.781 1.00 0.00 H new ATOM 183 N THR A 16 -1.047 12.496 14.502 1.00 0.00 N ATOM 184 CA THR A 16 -0.330 11.228 14.672 1.00 0.00 C ATOM 185 C THR A 16 -0.792 10.183 13.656 1.00 0.00 C ATOM 186 O THR A 16 0.028 9.543 12.993 1.00 0.00 O ATOM 187 CB THR A 16 -0.472 10.731 16.117 1.00 0.00 C ATOM 188 OG1 THR A 16 0.045 11.723 16.985 1.00 0.00 O ATOM 189 CG2 THR A 16 0.283 9.422 16.367 1.00 0.00 C ATOM 0 H THR A 16 -1.924 12.540 15.021 1.00 0.00 H new ATOM 0 HA THR A 16 0.729 11.399 14.479 1.00 0.00 H new ATOM 0 HB THR A 16 -1.530 10.542 16.301 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.040 11.422 17.914 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.148 9.117 17.405 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.105 8.646 15.707 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.344 9.570 16.167 1.00 0.00 H new ATOM 197 N LYS A 17 -2.103 9.930 13.574 1.00 0.00 N ATOM 198 CA LYS A 17 -2.630 8.903 12.687 1.00 0.00 C ATOM 199 C LYS A 17 -2.436 9.374 11.256 1.00 0.00 C ATOM 200 O LYS A 17 -1.793 8.652 10.488 1.00 0.00 O ATOM 201 CB LYS A 17 -4.099 8.591 12.986 1.00 0.00 C ATOM 202 CG LYS A 17 -4.304 8.089 14.425 1.00 0.00 C ATOM 203 CD LYS A 17 -5.136 6.804 14.460 1.00 0.00 C ATOM 204 CE LYS A 17 -5.642 6.558 15.885 1.00 0.00 C ATOM 205 NZ LYS A 17 -6.635 5.466 15.948 1.00 0.00 N ATOM 0 H LYS A 17 -2.813 10.425 14.113 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.090 7.969 12.845 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.699 9.487 12.826 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.459 7.838 12.285 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.335 7.908 14.890 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.800 8.861 15.013 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.978 6.885 13.773 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.533 5.959 14.126 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.798 6.316 16.531 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.088 7.474 16.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.947 5.337 16.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.454 5.706 15.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.204 4.584 15.603 1.00 0.00 H new ATOM 219 N ALA A 18 -2.874 10.599 10.939 1.00 0.00 N ATOM 220 CA ALA A 18 -2.746 11.122 9.586 1.00 0.00 C ATOM 221 C ALA A 18 -1.280 11.085 9.163 1.00 0.00 C ATOM 222 O ALA A 18 -1.001 10.610 8.074 1.00 0.00 O ATOM 223 CB ALA A 18 -3.346 12.525 9.435 1.00 0.00 C ATOM 0 H ALA A 18 -3.316 11.237 11.600 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.325 10.482 8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.222 12.865 8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.407 12.495 9.682 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.836 13.213 10.108 1.00 0.00 H new ATOM 229 N ALA A 19 -0.348 11.476 10.038 1.00 0.00 N ATOM 230 CA ALA A 19 1.081 11.488 9.763 1.00 0.00 C ATOM 231 C ALA A 19 1.606 10.164 9.237 1.00 0.00 C ATOM 232 O ALA A 19 2.393 10.166 8.294 1.00 0.00 O ATOM 233 CB ALA A 19 1.858 11.822 11.031 1.00 0.00 C ATOM 0 H ALA A 19 -0.578 11.799 10.978 1.00 0.00 H new ATOM 0 HA ALA A 19 1.226 12.244 8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.926 11.828 10.812 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.557 12.804 11.394 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.648 11.073 11.794 1.00 0.00 H new ATOM 239 N GLY A 20 1.258 9.045 9.869 1.00 0.00 N ATOM 240 CA GLY A 20 1.802 7.754 9.470 1.00 0.00 C ATOM 241 C GLY A 20 1.173 7.269 8.168 1.00 0.00 C ATOM 242 O GLY A 20 1.850 6.648 7.353 1.00 0.00 O ATOM 0 H GLY A 20 0.607 9.008 10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.882 7.834 9.347 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.624 7.022 10.258 1.00 0.00 H new ATOM 246 N GLU A 21 -0.109 7.568 7.953 1.00 0.00 N ATOM 247 CA GLU A 21 -0.800 7.281 6.704 1.00 0.00 C ATOM 248 C GLU A 21 -0.199 8.130 5.569 1.00 0.00 C ATOM 249 O GLU A 21 0.195 7.581 4.542 1.00 0.00 O ATOM 250 CB GLU A 21 -2.311 7.508 6.896 1.00 0.00 C ATOM 251 CG GLU A 21 -3.070 6.282 7.447 1.00 0.00 C ATOM 252 CD GLU A 21 -2.763 5.860 8.892 1.00 0.00 C ATOM 253 OE1 GLU A 21 -1.862 5.017 9.144 1.00 0.00 O ATOM 254 OE2 GLU A 21 -3.469 6.331 9.813 1.00 0.00 O ATOM 0 H GLU A 21 -0.699 8.021 8.651 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.665 6.238 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.457 8.347 7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.749 7.792 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.138 6.485 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.861 5.434 6.795 1.00 0.00 H new ATOM 261 N VAL A 22 -0.067 9.445 5.767 1.00 0.00 N ATOM 262 CA VAL A 22 0.548 10.391 4.841 1.00 0.00 C ATOM 263 C VAL A 22 1.970 9.959 4.537 1.00 0.00 C ATOM 264 O VAL A 22 2.315 9.839 3.371 1.00 0.00 O ATOM 265 CB VAL A 22 0.522 11.830 5.402 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.378 12.792 4.558 1.00 0.00 C ATOM 267 CG2 VAL A 22 -0.907 12.378 5.407 1.00 0.00 C ATOM 0 H VAL A 22 -0.403 9.896 6.618 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.031 10.393 3.917 1.00 0.00 H new ATOM 0 HB VAL A 22 0.924 11.773 6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.332 13.793 4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.412 12.448 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.997 12.818 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.906 13.393 5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.296 12.388 4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.538 11.744 6.030 1.00 0.00 H new ATOM 277 N LYS A 23 2.816 9.733 5.544 1.00 0.00 N ATOM 278 CA LYS A 23 4.205 9.381 5.294 1.00 0.00 C ATOM 279 C LYS A 23 4.287 8.097 4.474 1.00 0.00 C ATOM 280 O LYS A 23 5.160 8.009 3.613 1.00 0.00 O ATOM 281 CB LYS A 23 5.004 9.374 6.610 1.00 0.00 C ATOM 282 CG LYS A 23 6.415 8.774 6.445 1.00 0.00 C ATOM 283 CD LYS A 23 6.519 7.274 6.775 1.00 0.00 C ATOM 284 CE LYS A 23 7.889 6.753 6.316 1.00 0.00 C ATOM 285 NZ LYS A 23 8.215 5.419 6.861 1.00 0.00 N ATOM 0 H LYS A 23 2.562 9.788 6.530 1.00 0.00 H new ATOM 0 HA LYS A 23 4.686 10.141 4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.089 10.394 6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.456 8.804 7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.743 8.930 5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.105 9.322 7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.396 7.115 7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.721 6.723 6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.908 6.708 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.660 7.461 6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.150 5.122 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.227 5.462 7.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.498 4.733 6.551 1.00 0.00 H new ATOM 299 N ALA A 24 3.396 7.125 4.688 1.00 0.00 N ATOM 300 CA ALA A 24 3.354 5.940 3.850 1.00 0.00 C ATOM 301 C ALA A 24 3.000 6.303 2.402 1.00 0.00 C ATOM 302 O ALA A 24 3.670 5.820 1.499 1.00 0.00 O ATOM 303 CB ALA A 24 2.411 4.903 4.460 1.00 0.00 C ATOM 0 H ALA A 24 2.700 7.142 5.433 1.00 0.00 H new ATOM 0 HA ALA A 24 4.345 5.487 3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.385 4.017 3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.766 4.628 5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.408 5.324 4.537 1.00 0.00 H new ATOM 309 N LEU A 25 2.010 7.169 2.151 1.00 0.00 N ATOM 310 CA LEU A 25 1.716 7.661 0.797 1.00 0.00 C ATOM 311 C LEU A 25 2.943 8.362 0.192 1.00 0.00 C ATOM 312 O LEU A 25 3.277 8.145 -0.968 1.00 0.00 O ATOM 313 CB LEU A 25 0.548 8.658 0.839 1.00 0.00 C ATOM 314 CG LEU A 25 0.074 9.105 -0.558 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.108 8.293 -1.094 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.323 10.574 -0.451 1.00 0.00 C ATOM 0 H LEU A 25 1.395 7.546 2.872 1.00 0.00 H new ATOM 0 HA LEU A 25 1.451 6.803 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.289 8.204 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.850 9.536 1.410 1.00 0.00 H new ATOM 0 HG LEU A 25 0.890 8.944 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.387 8.664 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.825 7.243 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.956 8.393 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.666 10.930 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.126 10.682 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.538 11.161 -0.132 1.00 0.00 H new ATOM 328 N ASP A 26 3.609 9.212 0.971 1.00 0.00 N ATOM 329 CA ASP A 26 4.728 10.055 0.548 1.00 0.00 C ATOM 330 C ASP A 26 5.875 9.197 0.055 1.00 0.00 C ATOM 331 O ASP A 26 6.482 9.459 -0.987 1.00 0.00 O ATOM 332 CB ASP A 26 5.238 10.865 1.751 1.00 0.00 C ATOM 333 CG ASP A 26 5.950 12.171 1.402 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.044 12.565 0.218 1.00 0.00 O ATOM 335 OD2 ASP A 26 6.385 12.846 2.364 1.00 0.00 O ATOM 0 H ASP A 26 3.375 9.338 1.956 1.00 0.00 H new ATOM 0 HA ASP A 26 4.382 10.713 -0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.392 11.093 2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.921 10.240 2.326 1.00 0.00 H new ATOM 340 N ASP A 27 6.182 8.185 0.868 1.00 0.00 N ATOM 341 CA ASP A 27 7.309 7.295 0.685 1.00 0.00 C ATOM 342 C ASP A 27 7.007 6.344 -0.485 1.00 0.00 C ATOM 343 O ASP A 27 7.881 6.012 -1.289 1.00 0.00 O ATOM 344 CB ASP A 27 7.556 6.527 2.005 1.00 0.00 C ATOM 345 CG ASP A 27 8.979 6.016 2.253 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.802 5.875 1.327 1.00 0.00 O ATOM 347 OD2 ASP A 27 9.299 5.765 3.442 1.00 0.00 O ATOM 0 H ASP A 27 5.630 7.963 1.696 1.00 0.00 H new ATOM 0 HA ASP A 27 8.215 7.851 0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.280 7.179 2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.879 5.673 2.033 1.00 0.00 H new ATOM 352 N PHE A 28 5.733 5.946 -0.605 1.00 0.00 N ATOM 353 CA PHE A 28 5.188 5.158 -1.696 1.00 0.00 C ATOM 354 C PHE A 28 5.348 5.889 -3.024 1.00 0.00 C ATOM 355 O PHE A 28 5.990 5.362 -3.932 1.00 0.00 O ATOM 356 CB PHE A 28 3.719 4.801 -1.413 1.00 0.00 C ATOM 357 CG PHE A 28 3.033 4.131 -2.577 1.00 0.00 C ATOM 358 CD1 PHE A 28 3.146 2.741 -2.730 1.00 0.00 C ATOM 359 CD2 PHE A 28 2.353 4.901 -3.543 1.00 0.00 C ATOM 360 CE1 PHE A 28 2.611 2.129 -3.875 1.00 0.00 C ATOM 361 CE2 PHE A 28 1.843 4.283 -4.695 1.00 0.00 C ATOM 362 CZ PHE A 28 1.979 2.896 -4.868 1.00 0.00 C ATOM 0 H PHE A 28 5.029 6.181 0.094 1.00 0.00 H new ATOM 0 HA PHE A 28 5.748 4.226 -1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.673 4.143 -0.545 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.175 5.709 -1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.640 2.148 -1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.225 5.963 -3.397 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.686 1.058 -3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.345 4.875 -5.449 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.599 2.421 -5.761 1.00 0.00 H new ATOM 372 N TYR A 29 4.769 7.089 -3.152 1.00 0.00 N ATOM 373 CA TYR A 29 4.812 7.857 -4.395 1.00 0.00 C ATOM 374 C TYR A 29 6.227 8.084 -4.896 1.00 0.00 C ATOM 375 O TYR A 29 6.472 8.053 -6.100 1.00 0.00 O ATOM 376 CB TYR A 29 4.175 9.230 -4.184 1.00 0.00 C ATOM 377 CG TYR A 29 2.697 9.268 -4.441 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.180 8.625 -5.577 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.863 10.026 -3.605 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.828 8.752 -5.894 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.509 10.204 -3.951 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.011 9.565 -5.099 1.00 0.00 C ATOM 383 OH TYR A 29 -1.316 9.748 -5.427 1.00 0.00 O ATOM 0 H TYR A 29 4.260 7.551 -2.398 1.00 0.00 H new ATOM 0 HA TYR A 29 4.267 7.270 -5.134 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.363 9.552 -3.160 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.665 9.950 -4.839 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.829 8.032 -6.205 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.256 10.470 -2.702 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.422 8.229 -6.747 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.129 10.826 -3.341 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.856 9.030 -5.035 1.00 0.00 H new ATOM 393 N LYS A 30 7.157 8.314 -3.973 1.00 0.00 N ATOM 394 CA LYS A 30 8.564 8.457 -4.318 1.00 0.00 C ATOM 395 C LYS A 30 9.033 7.280 -5.174 1.00 0.00 C ATOM 396 O LYS A 30 9.563 7.489 -6.264 1.00 0.00 O ATOM 397 CB LYS A 30 9.418 8.623 -3.053 1.00 0.00 C ATOM 398 CG LYS A 30 10.419 9.753 -3.290 1.00 0.00 C ATOM 399 CD LYS A 30 11.528 9.829 -2.242 1.00 0.00 C ATOM 400 CE LYS A 30 12.342 11.098 -2.502 1.00 0.00 C ATOM 401 NZ LYS A 30 13.617 11.123 -1.766 1.00 0.00 N ATOM 0 H LYS A 30 6.958 8.405 -2.977 1.00 0.00 H new ATOM 0 HA LYS A 30 8.687 9.361 -4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.785 8.851 -2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.942 7.695 -2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.871 9.624 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.883 10.702 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.103 9.849 -1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.167 8.948 -2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.543 11.182 -3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.749 11.968 -2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.125 12.005 -1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.429 11.072 -0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.199 10.310 -2.052 1.00 0.00 H new ATOM 415 N MET A 31 8.814 6.049 -4.713 1.00 0.00 N ATOM 416 CA MET A 31 9.120 4.858 -5.491 1.00 0.00 C ATOM 417 C MET A 31 8.237 4.757 -6.731 1.00 0.00 C ATOM 418 O MET A 31 8.721 4.279 -7.746 1.00 0.00 O ATOM 419 CB MET A 31 8.867 3.620 -4.650 1.00 0.00 C ATOM 420 CG MET A 31 9.659 3.553 -3.362 1.00 0.00 C ATOM 421 SD MET A 31 11.021 2.366 -3.329 1.00 0.00 S ATOM 422 CE MET A 31 10.323 1.299 -2.049 1.00 0.00 C ATOM 0 H MET A 31 8.421 5.854 -3.792 1.00 0.00 H new ATOM 0 HA MET A 31 10.165 4.927 -5.793 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.805 3.573 -4.409 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.098 2.739 -5.248 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.062 4.544 -3.155 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.974 3.312 -2.550 1.00 0.00 H new ATOM 0 HE1 MET A 31 10.879 0.362 -2.014 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.391 1.798 -1.082 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.277 1.092 -2.278 1.00 0.00 H new ATOM 432 N LEU A 32 6.974 5.197 -6.690 1.00 0.00 N ATOM 433 CA LEU A 32 6.094 5.160 -7.857 1.00 0.00 C ATOM 434 C LEU A 32 6.735 5.900 -9.037 1.00 0.00 C ATOM 435 O LEU A 32 6.573 5.495 -10.186 1.00 0.00 O ATOM 436 CB LEU A 32 4.702 5.725 -7.510 1.00 0.00 C ATOM 437 CG LEU A 32 3.634 5.304 -8.531 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.187 3.865 -8.291 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.400 6.195 -8.408 1.00 0.00 C ATOM 0 H LEU A 32 6.539 5.585 -5.853 1.00 0.00 H new ATOM 0 HA LEU A 32 5.955 4.122 -8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.409 5.381 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.753 6.813 -7.468 1.00 0.00 H new ATOM 0 HG LEU A 32 4.079 5.398 -9.521 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.431 3.591 -9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.043 3.197 -8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.767 3.777 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.653 5.884 -9.138 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.986 6.106 -7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.680 7.232 -8.594 1.00 0.00 H new ATOM 451 N GLN A 33 7.498 6.961 -8.769 1.00 0.00 N ATOM 452 CA GLN A 33 8.375 7.562 -9.760 1.00 0.00 C ATOM 453 C GLN A 33 9.637 6.709 -9.939 1.00 0.00 C ATOM 454 O GLN A 33 9.912 6.234 -11.042 1.00 0.00 O ATOM 455 CB GLN A 33 8.704 9.021 -9.385 1.00 0.00 C ATOM 456 CG GLN A 33 7.478 9.929 -9.149 1.00 0.00 C ATOM 457 CD GLN A 33 6.601 10.175 -10.382 1.00 0.00 C ATOM 458 OE1 GLN A 33 6.750 9.545 -11.429 1.00 0.00 O ATOM 459 NE2 GLN A 33 5.643 11.079 -10.285 1.00 0.00 N ATOM 0 H GLN A 33 7.521 7.423 -7.860 1.00 0.00 H new ATOM 0 HA GLN A 33 7.861 7.590 -10.721 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.314 9.019 -8.482 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.311 9.456 -10.179 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.862 9.484 -8.367 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.826 10.891 -8.772 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.520 11.601 -9.417 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.026 11.255 -11.078 1.00 0.00 H new ATOM 468 N HIS A 34 10.443 6.555 -8.887 1.00 0.00 N ATOM 469 CA HIS A 34 11.832 6.137 -9.029 1.00 0.00 C ATOM 470 C HIS A 34 12.035 4.656 -9.334 1.00 0.00 C ATOM 471 O HIS A 34 12.999 4.336 -10.034 1.00 0.00 O ATOM 472 CB HIS A 34 12.608 6.523 -7.770 1.00 0.00 C ATOM 473 CG HIS A 34 12.829 8.015 -7.711 1.00 0.00 C ATOM 474 ND1 HIS A 34 13.485 8.771 -8.658 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.315 8.877 -6.783 1.00 0.00 C ATOM 476 CE1 HIS A 34 13.368 10.058 -8.305 1.00 0.00 C ATOM 477 NE2 HIS A 34 12.659 10.181 -7.165 1.00 0.00 N ATOM 0 H HIS A 34 10.152 6.716 -7.923 1.00 0.00 H new ATOM 0 HA HIS A 34 12.212 6.661 -9.906 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.060 6.197 -6.886 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.569 6.008 -7.758 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.744 8.602 -5.909 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.785 10.886 -8.859 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.421 11.046 -6.680 1.00 0.00 H new ATOM 485 N GLU A 35 11.206 3.760 -8.809 1.00 0.00 N ATOM 486 CA GLU A 35 11.235 2.321 -9.049 1.00 0.00 C ATOM 487 C GLU A 35 9.849 1.712 -8.741 1.00 0.00 C ATOM 488 O GLU A 35 9.650 1.143 -7.664 1.00 0.00 O ATOM 489 CB GLU A 35 12.377 1.658 -8.251 1.00 0.00 C ATOM 490 CG GLU A 35 12.440 2.001 -6.751 1.00 0.00 C ATOM 491 CD GLU A 35 13.702 1.456 -6.098 1.00 0.00 C ATOM 492 OE1 GLU A 35 14.006 0.244 -6.237 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.366 2.210 -5.353 1.00 0.00 O ATOM 0 H GLU A 35 10.457 4.032 -8.172 1.00 0.00 H new ATOM 0 HA GLU A 35 11.446 2.127 -10.101 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.284 0.577 -8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.325 1.941 -8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.403 3.083 -6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.564 1.591 -6.248 1.00 0.00 H new ATOM 500 N PRO A 36 8.874 1.786 -9.667 1.00 0.00 N ATOM 501 CA PRO A 36 7.515 1.301 -9.424 1.00 0.00 C ATOM 502 C PRO A 36 7.430 -0.212 -9.167 1.00 0.00 C ATOM 503 O PRO A 36 6.446 -0.679 -8.598 1.00 0.00 O ATOM 504 CB PRO A 36 6.680 1.748 -10.628 1.00 0.00 C ATOM 505 CG PRO A 36 7.720 1.944 -11.730 1.00 0.00 C ATOM 506 CD PRO A 36 8.940 2.446 -10.960 1.00 0.00 C ATOM 0 HA PRO A 36 7.128 1.727 -8.498 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.939 0.997 -10.904 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.137 2.670 -10.420 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.930 1.014 -12.258 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.388 2.666 -12.476 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.864 2.198 -11.482 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.917 3.530 -10.850 1.00 0.00 H new ATOM 514 N ASP A 37 8.482 -0.986 -9.456 1.00 0.00 N ATOM 515 CA ASP A 37 8.572 -2.392 -9.042 1.00 0.00 C ATOM 516 C ASP A 37 8.555 -2.540 -7.519 1.00 0.00 C ATOM 517 O ASP A 37 8.351 -3.651 -7.029 1.00 0.00 O ATOM 518 CB ASP A 37 9.850 -3.061 -9.561 1.00 0.00 C ATOM 519 CG ASP A 37 9.894 -3.130 -11.079 1.00 0.00 C ATOM 520 OD1 ASP A 37 10.319 -2.121 -11.680 1.00 0.00 O ATOM 521 OD2 ASP A 37 9.584 -4.205 -11.661 1.00 0.00 O ATOM 0 H ASP A 37 9.292 -0.658 -9.981 1.00 0.00 H new ATOM 0 HA ASP A 37 7.697 -2.880 -9.473 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.718 -2.509 -9.200 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.921 -4.069 -9.152 1.00 0.00 H new ATOM 526 N ARG A 38 8.777 -1.455 -6.759 1.00 0.00 N ATOM 527 CA ARG A 38 8.624 -1.431 -5.310 1.00 0.00 C ATOM 528 C ARG A 38 7.387 -0.648 -4.865 1.00 0.00 C ATOM 529 O ARG A 38 7.241 -0.387 -3.668 1.00 0.00 O ATOM 530 CB ARG A 38 9.897 -0.923 -4.609 1.00 0.00 C ATOM 531 CG ARG A 38 11.103 -1.845 -4.865 1.00 0.00 C ATOM 532 CD ARG A 38 12.145 -1.806 -3.741 1.00 0.00 C ATOM 533 NE ARG A 38 12.978 -0.596 -3.745 1.00 0.00 N ATOM 534 CZ ARG A 38 13.561 -0.039 -2.676 1.00 0.00 C ATOM 535 NH1 ARG A 38 13.525 -0.650 -1.496 1.00 0.00 N ATOM 536 NH2 ARG A 38 14.182 1.131 -2.787 1.00 0.00 N ATOM 0 H ARG A 38 9.072 -0.560 -7.148 1.00 0.00 H new ATOM 0 HA ARG A 38 8.469 -2.464 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.128 0.082 -4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.716 -0.852 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.749 -2.869 -4.988 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.579 -1.557 -5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.633 -1.880 -2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.790 -2.680 -3.826 1.00 0.00 H new ATOM 0 HE ARG A 38 13.126 -0.138 -4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.051 -1.548 -1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.971 -0.220 -0.685 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.215 1.607 -3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.625 1.553 -1.971 1.00 0.00 H new ATOM 550 N ALA A 39 6.501 -0.237 -5.773 1.00 0.00 N ATOM 551 CA ALA A 39 5.345 0.591 -5.463 1.00 0.00 C ATOM 552 C ALA A 39 4.149 0.085 -6.261 1.00 0.00 C ATOM 553 O ALA A 39 3.868 0.548 -7.362 1.00 0.00 O ATOM 554 CB ALA A 39 5.687 2.056 -5.752 1.00 0.00 C ATOM 0 H ALA A 39 6.572 -0.477 -6.762 1.00 0.00 H new ATOM 0 HA ALA A 39 5.079 0.528 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.825 2.683 -5.522 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.532 2.361 -5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.947 2.168 -6.805 1.00 0.00 H new ATOM 560 N PHE A 40 3.444 -0.893 -5.697 1.00 0.00 N ATOM 561 CA PHE A 40 2.379 -1.604 -6.388 1.00 0.00 C ATOM 562 C PHE A 40 1.060 -0.910 -6.065 1.00 0.00 C ATOM 563 O PHE A 40 0.873 -0.476 -4.920 1.00 0.00 O ATOM 564 CB PHE A 40 2.332 -3.040 -5.848 1.00 0.00 C ATOM 565 CG PHE A 40 3.162 -4.044 -6.599 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.281 -3.633 -7.344 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.797 -5.403 -6.551 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.975 -4.570 -8.114 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.511 -6.348 -7.305 1.00 0.00 C ATOM 570 CZ PHE A 40 4.592 -5.922 -8.098 1.00 0.00 C ATOM 0 H PHE A 40 3.599 -1.214 -4.741 1.00 0.00 H new ATOM 0 HA PHE A 40 2.549 -1.612 -7.465 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.660 -3.029 -4.809 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.295 -3.377 -5.852 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.602 -2.602 -7.321 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.968 -5.718 -5.935 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.809 -4.254 -8.724 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.233 -7.391 -7.276 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.131 -6.639 -8.699 1.00 0.00 H new ATOM 580 N TYR A 41 0.116 -0.849 -7.003 1.00 0.00 N ATOM 581 CA TYR A 41 -1.248 -0.440 -6.685 1.00 0.00 C ATOM 582 C TYR A 41 -2.308 -1.242 -7.424 1.00 0.00 C ATOM 583 O TYR A 41 -2.044 -1.862 -8.455 1.00 0.00 O ATOM 584 CB TYR A 41 -1.419 1.052 -6.938 1.00 0.00 C ATOM 585 CG TYR A 41 -1.639 1.400 -8.398 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.561 1.491 -9.296 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.954 1.560 -8.867 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.803 1.718 -10.663 1.00 0.00 C ATOM 589 CE2 TYR A 41 -3.201 1.833 -10.219 1.00 0.00 C ATOM 590 CZ TYR A 41 -2.125 1.889 -11.133 1.00 0.00 C ATOM 591 OH TYR A 41 -2.389 2.036 -12.462 1.00 0.00 O ATOM 0 H TYR A 41 0.271 -1.077 -7.985 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.401 -0.649 -5.626 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.265 1.416 -6.355 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.534 1.577 -6.578 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.452 1.387 -8.937 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.782 1.472 -8.179 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.024 1.762 -11.356 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.211 2.000 -10.562 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.354 2.140 -12.594 1.00 0.00 H new ATOM 601 N GLY A 42 -3.549 -1.139 -6.958 1.00 0.00 N ATOM 602 CA GLY A 42 -4.654 -1.937 -7.438 1.00 0.00 C ATOM 603 C GLY A 42 -4.534 -3.332 -6.849 1.00 0.00 C ATOM 604 O GLY A 42 -3.453 -3.927 -6.839 1.00 0.00 O ATOM 0 H GLY A 42 -3.812 -0.484 -6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.602 -1.484 -7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.643 -1.984 -8.527 1.00 0.00 H new ATOM 608 N LEU A 43 -5.665 -3.844 -6.367 1.00 0.00 N ATOM 609 CA LEU A 43 -5.796 -5.113 -5.668 1.00 0.00 C ATOM 610 C LEU A 43 -4.986 -6.217 -6.341 1.00 0.00 C ATOM 611 O LEU A 43 -4.234 -6.892 -5.658 1.00 0.00 O ATOM 612 CB LEU A 43 -7.286 -5.469 -5.580 1.00 0.00 C ATOM 613 CG LEU A 43 -7.580 -6.817 -4.899 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.230 -6.836 -3.408 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.067 -7.130 -5.025 1.00 0.00 C ATOM 0 H LEU A 43 -6.557 -3.358 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.388 -5.016 -4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.804 -4.680 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.703 -5.486 -6.587 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.956 -7.556 -5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.463 -7.816 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.167 -6.631 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.811 -6.074 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.280 -8.085 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.647 -6.343 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.339 -7.186 -6.079 1.00 0.00 H new ATOM 627 N LYS A 44 -5.072 -6.372 -7.664 1.00 0.00 N ATOM 628 CA LYS A 44 -4.407 -7.412 -8.421 1.00 0.00 C ATOM 629 C LYS A 44 -2.888 -7.416 -8.191 1.00 0.00 C ATOM 630 O LYS A 44 -2.295 -8.494 -8.084 1.00 0.00 O ATOM 631 CB LYS A 44 -4.826 -7.196 -9.891 1.00 0.00 C ATOM 632 CG LYS A 44 -3.823 -7.795 -10.862 1.00 0.00 C ATOM 633 CD LYS A 44 -4.246 -7.770 -12.337 1.00 0.00 C ATOM 634 CE LYS A 44 -4.061 -6.395 -12.987 1.00 0.00 C ATOM 635 NZ LYS A 44 -4.454 -6.416 -14.412 1.00 0.00 N ATOM 0 H LYS A 44 -5.629 -5.750 -8.250 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.707 -8.408 -8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.805 -7.644 -10.059 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.927 -6.128 -10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.880 -7.258 -10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.634 -8.829 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.665 -8.508 -12.889 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.292 -8.065 -12.415 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.658 -5.655 -12.454 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.019 -6.086 -12.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.317 -5.471 -14.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.867 -7.105 -14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.455 -6.687 -14.492 1.00 0.00 H new ATOM 649 N GLN A 45 -2.246 -6.243 -8.179 1.00 0.00 N ATOM 650 CA GLN A 45 -0.806 -6.132 -7.982 1.00 0.00 C ATOM 651 C GLN A 45 -0.489 -6.564 -6.553 1.00 0.00 C ATOM 652 O GLN A 45 0.305 -7.466 -6.322 1.00 0.00 O ATOM 653 CB GLN A 45 -0.319 -4.698 -8.244 1.00 0.00 C ATOM 654 CG GLN A 45 -0.476 -4.259 -9.708 1.00 0.00 C ATOM 655 CD GLN A 45 0.174 -2.896 -9.988 1.00 0.00 C ATOM 656 OE1 GLN A 45 1.071 -2.452 -9.278 1.00 0.00 O ATOM 657 NE2 GLN A 45 -0.265 -2.180 -11.012 1.00 0.00 N ATOM 0 H GLN A 45 -2.715 -5.346 -8.306 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.286 -6.777 -8.690 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.874 -4.011 -7.605 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.730 -4.621 -7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.030 -5.011 -10.359 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.536 -4.210 -9.957 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.010 -2.543 -11.606 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.142 -1.265 -11.207 1.00 0.00 H new ATOM 666 N VAL A 46 -1.123 -5.930 -5.578 1.00 0.00 N ATOM 667 CA VAL A 46 -0.977 -6.216 -4.160 1.00 0.00 C ATOM 668 C VAL A 46 -1.204 -7.716 -3.852 1.00 0.00 C ATOM 669 O VAL A 46 -0.433 -8.314 -3.101 1.00 0.00 O ATOM 670 CB VAL A 46 -1.918 -5.291 -3.355 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.433 -5.247 -1.905 1.00 0.00 C ATOM 672 CG2 VAL A 46 -2.087 -3.840 -3.878 1.00 0.00 C ATOM 0 H VAL A 46 -1.780 -5.171 -5.761 1.00 0.00 H new ATOM 0 HA VAL A 46 0.048 -6.008 -3.854 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.908 -5.734 -3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.087 -4.598 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.451 -6.252 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.415 -4.859 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.771 -3.296 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.118 -3.341 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.491 -3.863 -4.890 1.00 0.00 H new ATOM 682 N GLU A 47 -2.213 -8.344 -4.467 1.00 0.00 N ATOM 683 CA GLU A 47 -2.529 -9.768 -4.339 1.00 0.00 C ATOM 684 C GLU A 47 -1.390 -10.648 -4.877 1.00 0.00 C ATOM 685 O GLU A 47 -1.236 -11.784 -4.427 1.00 0.00 O ATOM 686 CB GLU A 47 -3.858 -10.103 -5.064 1.00 0.00 C ATOM 687 CG GLU A 47 -5.107 -9.718 -4.239 1.00 0.00 C ATOM 688 CD GLU A 47 -6.458 -10.189 -4.814 1.00 0.00 C ATOM 689 OE1 GLU A 47 -6.679 -10.161 -6.053 1.00 0.00 O ATOM 690 OE2 GLU A 47 -7.349 -10.586 -4.020 1.00 0.00 O ATOM 0 H GLU A 47 -2.855 -7.854 -5.090 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.646 -9.984 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.886 -9.581 -6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.888 -11.171 -5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.997 -10.128 -3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.134 -8.633 -4.139 1.00 0.00 H new ATOM 697 N LYS A 48 -0.556 -10.145 -5.797 1.00 0.00 N ATOM 698 CA LYS A 48 0.735 -10.721 -6.084 1.00 0.00 C ATOM 699 C LYS A 48 1.634 -10.402 -4.913 1.00 0.00 C ATOM 700 O LYS A 48 1.955 -11.336 -4.224 1.00 0.00 O ATOM 701 CB LYS A 48 1.275 -10.257 -7.448 1.00 0.00 C ATOM 702 CG LYS A 48 2.777 -10.536 -7.527 1.00 0.00 C ATOM 703 CD LYS A 48 3.250 -10.962 -8.909 1.00 0.00 C ATOM 704 CE LYS A 48 4.454 -11.910 -8.813 1.00 0.00 C ATOM 705 NZ LYS A 48 4.975 -12.309 -10.138 1.00 0.00 N ATOM 0 H LYS A 48 -0.773 -9.322 -6.359 1.00 0.00 H new ATOM 0 HA LYS A 48 0.674 -11.804 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.755 -10.778 -8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.085 -9.192 -7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.320 -9.640 -7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.030 -11.317 -6.810 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.436 -11.456 -9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.522 -10.082 -9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.249 -11.425 -8.246 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.165 -12.802 -8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.579 -13.150 -10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.180 -12.529 -10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.533 -11.529 -10.541 1.00 0.00 H new ATOM 719 N ALA A 49 2.075 -9.175 -4.654 1.00 0.00 N ATOM 720 CA ALA A 49 3.189 -8.930 -3.725 1.00 0.00 C ATOM 721 C ALA A 49 3.096 -9.626 -2.358 1.00 0.00 C ATOM 722 O ALA A 49 4.124 -9.961 -1.763 1.00 0.00 O ATOM 723 CB ALA A 49 3.254 -7.451 -3.445 1.00 0.00 C ATOM 0 H ALA A 49 1.683 -8.331 -5.071 1.00 0.00 H new ATOM 0 HA ALA A 49 4.065 -9.340 -4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.074 -7.247 -2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.419 -6.911 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.315 -7.124 -2.998 1.00 0.00 H new ATOM 729 N ASN A 50 1.880 -9.830 -1.857 1.00 0.00 N ATOM 730 CA ASN A 50 1.567 -10.693 -0.728 1.00 0.00 C ATOM 731 C ASN A 50 2.228 -12.077 -0.853 1.00 0.00 C ATOM 732 O ASN A 50 2.895 -12.506 0.081 1.00 0.00 O ATOM 733 CB ASN A 50 0.046 -10.815 -0.682 1.00 0.00 C ATOM 734 CG ASN A 50 -0.454 -12.054 0.038 1.00 0.00 C ATOM 735 OD1 ASN A 50 -0.759 -13.063 -0.596 1.00 0.00 O ATOM 736 ND2 ASN A 50 -0.568 -12.001 1.347 1.00 0.00 N ATOM 0 H ASN A 50 1.053 -9.378 -2.246 1.00 0.00 H new ATOM 0 HA ASN A 50 1.959 -10.263 0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.364 -9.932 -0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.339 -10.820 -1.702 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.917 -12.810 1.862 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.308 -11.151 1.848 1.00 0.00 H new ATOM 743 N GLU A 51 2.098 -12.744 -2.004 1.00 0.00 N ATOM 744 CA GLU A 51 2.718 -14.000 -2.393 1.00 0.00 C ATOM 745 C GLU A 51 4.214 -13.966 -2.087 1.00 0.00 C ATOM 746 O GLU A 51 4.802 -14.925 -1.590 1.00 0.00 O ATOM 747 CB GLU A 51 2.402 -14.304 -3.885 1.00 0.00 C ATOM 748 CG GLU A 51 3.464 -13.868 -4.887 1.00 0.00 C ATOM 749 CD GLU A 51 3.152 -14.257 -6.340 1.00 0.00 C ATOM 750 OE1 GLU A 51 2.179 -13.761 -6.947 1.00 0.00 O ATOM 751 OE2 GLU A 51 3.942 -15.038 -6.930 1.00 0.00 O ATOM 0 H GLU A 51 1.502 -12.381 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 51 2.302 -14.821 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.246 -15.377 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.462 -13.817 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.581 -12.786 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.420 -14.307 -4.602 1.00 0.00 H new ATOM 758 N ALA A 52 4.828 -12.828 -2.389 1.00 0.00 N ATOM 759 CA ALA A 52 6.260 -12.644 -2.395 1.00 0.00 C ATOM 760 C ALA A 52 6.763 -12.210 -1.025 1.00 0.00 C ATOM 761 O ALA A 52 7.970 -12.042 -0.863 1.00 0.00 O ATOM 762 CB ALA A 52 6.600 -11.632 -3.493 1.00 0.00 C ATOM 0 H ALA A 52 4.317 -11.983 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 52 6.766 -13.585 -2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.678 -11.473 -3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.265 -12.015 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.099 -10.687 -3.284 1.00 0.00 H new ATOM 768 N MET A 53 5.867 -12.052 -0.042 1.00 0.00 N ATOM 769 CA MET A 53 6.163 -11.587 1.310 1.00 0.00 C ATOM 770 C MET A 53 6.911 -10.248 1.264 1.00 0.00 C ATOM 771 O MET A 53 7.798 -9.971 2.071 1.00 0.00 O ATOM 772 CB MET A 53 6.935 -12.667 2.090 1.00 0.00 C ATOM 773 CG MET A 53 6.278 -14.053 2.043 1.00 0.00 C ATOM 774 SD MET A 53 4.968 -14.248 3.268 1.00 0.00 S ATOM 775 CE MET A 53 3.754 -15.149 2.276 1.00 0.00 C ATOM 0 H MET A 53 4.877 -12.254 -0.178 1.00 0.00 H new ATOM 0 HA MET A 53 5.229 -11.412 1.844 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.945 -12.740 1.688 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.028 -12.354 3.130 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.866 -14.221 1.048 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.039 -14.816 2.207 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.140 -15.770 2.928 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.118 -14.439 1.747 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.271 -15.781 1.554 1.00 0.00 H new ATOM 785 N ALA A 54 6.605 -9.451 0.238 1.00 0.00 N ATOM 786 CA ALA A 54 7.396 -8.298 -0.136 1.00 0.00 C ATOM 787 C ALA A 54 6.850 -7.011 0.463 1.00 0.00 C ATOM 788 O ALA A 54 7.478 -5.975 0.282 1.00 0.00 O ATOM 789 CB ALA A 54 7.385 -8.201 -1.665 1.00 0.00 C ATOM 0 H ALA A 54 5.790 -9.598 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 54 8.409 -8.423 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.974 -7.339 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.814 -9.108 -2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.359 -8.086 -2.015 1.00 0.00 H new ATOM 795 N ILE A 55 5.681 -7.024 1.098 1.00 0.00 N ATOM 796 CA ILE A 55 4.947 -5.823 1.454 1.00 0.00 C ATOM 797 C ILE A 55 5.523 -5.287 2.769 1.00 0.00 C ATOM 798 O ILE A 55 5.449 -5.945 3.803 1.00 0.00 O ATOM 799 CB ILE A 55 3.430 -6.123 1.442 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.983 -6.409 -0.008 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.660 -4.950 2.076 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.501 -6.742 -0.183 1.00 0.00 C ATOM 0 H ILE A 55 5.214 -7.885 1.382 1.00 0.00 H new ATOM 0 HA ILE A 55 5.066 -5.018 0.729 1.00 0.00 H new ATOM 0 HB ILE A 55 3.210 -7.008 2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.217 -5.539 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.573 -7.240 -0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.592 -5.167 2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.991 -4.811 3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.851 -4.040 1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.291 -6.926 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.257 -7.633 0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.896 -5.905 0.167 1.00 0.00 H new ATOM 814 N ASP A 56 6.127 -4.099 2.695 1.00 0.00 N ATOM 815 CA ASP A 56 6.647 -3.338 3.838 1.00 0.00 C ATOM 816 C ASP A 56 5.467 -2.734 4.594 1.00 0.00 C ATOM 817 O ASP A 56 5.324 -2.917 5.804 1.00 0.00 O ATOM 818 CB ASP A 56 7.601 -2.226 3.347 1.00 0.00 C ATOM 819 CG ASP A 56 7.970 -1.177 4.417 1.00 0.00 C ATOM 820 OD1 ASP A 56 7.112 -0.361 4.833 1.00 0.00 O ATOM 821 OD2 ASP A 56 9.155 -1.085 4.802 1.00 0.00 O ATOM 0 H ASP A 56 6.274 -3.621 1.806 1.00 0.00 H new ATOM 0 HA ASP A 56 7.209 -3.996 4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.517 -2.688 2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.139 -1.716 2.502 1.00 0.00 H new ATOM 826 N THR A 57 4.632 -1.986 3.870 1.00 0.00 N ATOM 827 CA THR A 57 3.480 -1.272 4.389 1.00 0.00 C ATOM 828 C THR A 57 2.414 -1.282 3.304 1.00 0.00 C ATOM 829 O THR A 57 2.722 -1.027 2.143 1.00 0.00 O ATOM 830 CB THR A 57 3.894 0.164 4.753 1.00 0.00 C ATOM 831 OG1 THR A 57 4.803 0.136 5.823 1.00 0.00 O ATOM 832 CG2 THR A 57 2.738 1.035 5.237 1.00 0.00 C ATOM 0 H THR A 57 4.751 -1.861 2.865 1.00 0.00 H new ATOM 0 HA THR A 57 3.089 -1.742 5.291 1.00 0.00 H new ATOM 0 HB THR A 57 4.307 0.581 3.835 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.718 0.203 5.477 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.108 2.032 5.474 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.983 1.105 4.454 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.296 0.590 6.129 1.00 0.00 H new ATOM 840 N LEU A 58 1.161 -1.505 3.682 1.00 0.00 N ATOM 841 CA LEU A 58 -0.009 -1.514 2.816 1.00 0.00 C ATOM 842 C LEU A 58 -0.824 -0.274 3.158 1.00 0.00 C ATOM 843 O LEU A 58 -0.921 0.088 4.328 1.00 0.00 O ATOM 844 CB LEU A 58 -0.790 -2.796 3.124 1.00 0.00 C ATOM 845 CG LEU A 58 -2.173 -2.915 2.462 1.00 0.00 C ATOM 846 CD1 LEU A 58 -2.085 -3.342 1.000 1.00 0.00 C ATOM 847 CD2 LEU A 58 -2.971 -3.966 3.221 1.00 0.00 C ATOM 0 H LEU A 58 0.922 -1.695 4.655 1.00 0.00 H new ATOM 0 HA LEU A 58 0.242 -1.497 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.186 -3.649 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.918 -2.870 4.204 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.648 -1.935 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.088 -3.411 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.507 -2.607 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.596 -4.314 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.958 -4.069 2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.449 -4.922 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.078 -3.660 4.262 1.00 0.00 H new ATOM 859 N LEU A 59 -1.372 0.392 2.142 1.00 0.00 N ATOM 860 CA LEU A 59 -2.191 1.590 2.246 1.00 0.00 C ATOM 861 C LEU A 59 -3.519 1.267 1.576 1.00 0.00 C ATOM 862 O LEU A 59 -3.530 0.864 0.414 1.00 0.00 O ATOM 863 CB LEU A 59 -1.548 2.861 1.628 1.00 0.00 C ATOM 864 CG LEU A 59 -0.152 2.770 0.985 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.163 4.032 0.169 1.00 0.00 C ATOM 866 CD2 LEU A 59 0.965 2.626 2.023 1.00 0.00 C ATOM 0 H LEU A 59 -1.247 0.091 1.175 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.312 1.841 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.233 3.237 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.497 3.616 2.413 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.183 1.884 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.155 3.941 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.578 4.148 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.136 4.904 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.928 2.566 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.958 3.490 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.805 1.719 2.606 1.00 0.00 H new ATOM 878 N ILE A 60 -4.636 1.427 2.283 1.00 0.00 N ATOM 879 CA ILE A 60 -5.953 1.194 1.705 1.00 0.00 C ATOM 880 C ILE A 60 -6.897 2.303 2.157 1.00 0.00 C ATOM 881 O ILE A 60 -6.838 2.725 3.318 1.00 0.00 O ATOM 882 CB ILE A 60 -6.432 -0.220 2.086 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.587 -0.612 1.155 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.853 -0.340 3.564 1.00 0.00 C ATOM 885 CD1 ILE A 60 -8.064 -2.043 1.363 1.00 0.00 C ATOM 0 H ILE A 60 -4.652 1.718 3.260 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.923 1.229 0.616 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.593 -0.905 1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.422 0.070 1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.269 -0.488 0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.180 -1.360 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.006 -0.096 4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.672 0.351 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.882 -2.258 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.241 -2.732 1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.412 -2.165 2.389 1.00 0.00 H new ATOM 897 N SER A 61 -7.782 2.745 1.263 1.00 0.00 N ATOM 898 CA SER A 61 -8.875 3.619 1.623 1.00 0.00 C ATOM 899 C SER A 61 -9.813 2.817 2.509 1.00 0.00 C ATOM 900 O SER A 61 -10.195 1.691 2.168 1.00 0.00 O ATOM 901 CB SER A 61 -9.588 4.200 0.385 1.00 0.00 C ATOM 902 OG SER A 61 -9.843 5.574 0.629 1.00 0.00 O ATOM 0 H SER A 61 -7.753 2.502 0.273 1.00 0.00 H new ATOM 0 HA SER A 61 -8.503 4.490 2.163 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.968 4.080 -0.503 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.520 3.667 0.197 1.00 0.00 H new ATOM 0 HG SER A 61 -10.295 5.966 -0.147 1.00 0.00 H new ATOM 908 N ASP A 62 -10.196 3.394 3.645 1.00 0.00 N ATOM 909 CA ASP A 62 -11.168 2.779 4.530 1.00 0.00 C ATOM 910 C ASP A 62 -12.449 2.428 3.793 1.00 0.00 C ATOM 911 O ASP A 62 -13.003 1.385 4.091 1.00 0.00 O ATOM 912 CB ASP A 62 -11.476 3.620 5.760 1.00 0.00 C ATOM 913 CG ASP A 62 -12.192 4.946 5.495 1.00 0.00 C ATOM 914 OD1 ASP A 62 -11.732 5.744 4.644 1.00 0.00 O ATOM 915 OD2 ASP A 62 -13.144 5.230 6.257 1.00 0.00 O ATOM 0 H ASP A 62 -9.842 4.293 3.972 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.704 1.859 4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.089 3.027 6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.540 3.831 6.277 1.00 0.00 H new ATOM 920 N GLU A 63 -12.897 3.191 2.794 1.00 0.00 N ATOM 921 CA GLU A 63 -14.104 2.818 2.058 1.00 0.00 C ATOM 922 C GLU A 63 -14.023 1.406 1.453 1.00 0.00 C ATOM 923 O GLU A 63 -15.004 0.670 1.517 1.00 0.00 O ATOM 924 CB GLU A 63 -14.456 3.859 0.981 1.00 0.00 C ATOM 925 CG GLU A 63 -13.299 4.227 0.044 1.00 0.00 C ATOM 926 CD GLU A 63 -13.791 4.961 -1.205 1.00 0.00 C ATOM 927 OE1 GLU A 63 -14.277 4.295 -2.152 1.00 0.00 O ATOM 928 OE2 GLU A 63 -13.687 6.206 -1.270 1.00 0.00 O ATOM 0 H GLU A 63 -12.452 4.054 2.481 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.911 2.801 2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.283 3.477 0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.810 4.765 1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.585 4.855 0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.769 3.322 -0.252 1.00 0.00 H new ATOM 935 N LEU A 64 -12.857 0.987 0.953 1.00 0.00 N ATOM 936 CA LEU A 64 -12.644 -0.364 0.438 1.00 0.00 C ATOM 937 C LEU A 64 -12.618 -1.358 1.594 1.00 0.00 C ATOM 938 O LEU A 64 -13.223 -2.430 1.545 1.00 0.00 O ATOM 939 CB LEU A 64 -11.309 -0.454 -0.306 1.00 0.00 C ATOM 940 CG LEU A 64 -11.142 0.494 -1.500 1.00 0.00 C ATOM 941 CD1 LEU A 64 -9.785 0.190 -2.123 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.245 0.342 -2.552 1.00 0.00 C ATOM 0 H LEU A 64 -12.030 1.582 0.895 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.459 -0.598 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.506 -0.258 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.180 -1.477 -0.659 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.211 1.522 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.623 0.844 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.000 0.358 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.759 -0.849 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.067 1.041 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.241 -0.677 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.213 0.554 -2.098 1.00 0.00 H new ATOM 954 N PHE A 65 -11.936 -0.981 2.673 1.00 0.00 N ATOM 955 CA PHE A 65 -11.926 -1.714 3.925 1.00 0.00 C ATOM 956 C PHE A 65 -13.327 -1.814 4.564 1.00 0.00 C ATOM 957 O PHE A 65 -13.513 -2.628 5.469 1.00 0.00 O ATOM 958 CB PHE A 65 -10.927 -1.021 4.852 1.00 0.00 C ATOM 959 CG PHE A 65 -10.624 -1.766 6.121 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.845 -2.937 6.093 1.00 0.00 C ATOM 961 CD2 PHE A 65 -11.171 -1.292 7.325 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.627 -3.649 7.284 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.982 -2.034 8.505 1.00 0.00 C ATOM 964 CZ PHE A 65 -10.203 -3.206 8.488 1.00 0.00 C ATOM 0 H PHE A 65 -11.364 -0.137 2.696 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.624 -2.746 3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.996 -0.865 4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.315 -0.035 5.110 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.418 -3.285 5.164 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.730 -0.368 7.344 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.015 -4.539 7.275 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.436 -1.703 9.427 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.048 -3.765 9.399 1.00 0.00 H new ATOM 974 N ARG A 66 -14.326 -1.057 4.093 1.00 0.00 N ATOM 975 CA ARG A 66 -15.722 -1.035 4.533 1.00 0.00 C ATOM 976 C ARG A 66 -16.686 -1.318 3.366 1.00 0.00 C ATOM 977 O ARG A 66 -17.859 -0.947 3.453 1.00 0.00 O ATOM 978 CB ARG A 66 -16.038 0.324 5.196 1.00 0.00 C ATOM 979 CG ARG A 66 -15.064 0.749 6.311 1.00 0.00 C ATOM 980 CD ARG A 66 -15.757 1.416 7.495 1.00 0.00 C ATOM 981 NE ARG A 66 -14.785 1.767 8.546 1.00 0.00 N ATOM 982 CZ ARG A 66 -15.048 1.966 9.840 1.00 0.00 C ATOM 983 NH1 ARG A 66 -16.301 2.042 10.280 1.00 0.00 N ATOM 984 NH2 ARG A 66 -14.035 2.059 10.692 1.00 0.00 N ATOM 0 H ARG A 66 -14.164 -0.393 3.336 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.865 -1.829 5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.042 1.095 4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.045 0.283 5.611 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.521 -0.128 6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.326 1.436 5.897 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.275 2.314 7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.513 0.746 7.903 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.813 1.868 8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.078 1.948 9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.485 2.194 11.272 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.076 1.979 10.355 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.216 2.211 11.684 1.00 0.00 H new ATOM 998 N HIS A 67 -16.208 -1.927 2.272 1.00 0.00 N ATOM 999 CA HIS A 67 -16.949 -2.022 1.015 1.00 0.00 C ATOM 1000 C HIS A 67 -18.269 -2.791 1.183 1.00 0.00 C ATOM 1001 O HIS A 67 -18.434 -3.634 2.069 1.00 0.00 O ATOM 1002 CB HIS A 67 -16.045 -2.615 -0.081 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.568 -2.468 -1.487 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.535 -3.276 -2.081 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -16.096 -1.586 -2.415 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.656 -2.830 -3.340 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.824 -1.800 -3.564 1.00 0.00 N ATOM 0 H HIS A 67 -15.290 -2.369 2.238 1.00 0.00 H new ATOM 0 HA HIS A 67 -17.236 -1.019 0.701 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -15.067 -2.138 -0.022 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -15.896 -3.675 0.126 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.307 -0.862 -2.276 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.331 -3.243 -4.074 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.745 -1.270 -4.432 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.221 -2.462 0.322 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.603 -2.891 0.318 1.00 0.00 C ATOM 1017 C GLN A 68 -20.771 -4.317 -0.223 1.00 0.00 C ATOM 1018 O GLN A 68 -21.641 -5.042 0.257 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.449 -1.860 -0.465 1.00 0.00 C ATOM 1020 CG GLN A 68 -21.004 -1.522 -1.907 1.00 0.00 C ATOM 1021 CD GLN A 68 -19.982 -0.383 -2.032 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -18.945 -0.356 -1.382 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -20.199 0.582 -2.907 1.00 0.00 N ATOM 0 H GLN A 68 -19.024 -1.834 -0.457 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.962 -2.932 1.347 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.474 -2.228 -0.506 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.466 -0.933 0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.579 -2.419 -2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -21.887 -1.260 -2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -21.055 0.584 -3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -19.511 1.325 -3.028 1.00 0.00 H new ATOM 1032 N ASP A 69 -19.955 -4.745 -1.190 1.00 0.00 N ATOM 1033 CA ASP A 69 -19.931 -6.134 -1.644 1.00 0.00 C ATOM 1034 C ASP A 69 -19.102 -6.907 -0.638 1.00 0.00 C ATOM 1035 O ASP A 69 -17.917 -6.609 -0.469 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.264 -6.296 -3.016 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.458 -7.696 -3.622 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -19.762 -8.662 -2.893 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -19.203 -7.869 -4.836 1.00 0.00 O ATOM 0 H ASP A 69 -19.295 -4.139 -1.678 1.00 0.00 H new ATOM 0 HA ASP A 69 -20.958 -6.490 -1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -19.670 -5.551 -3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.197 -6.093 -2.921 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.672 -7.911 0.018 1.00 0.00 N ATOM 1045 CA VAL A 70 -18.911 -8.742 0.931 1.00 0.00 C ATOM 1046 C VAL A 70 -17.770 -9.455 0.185 1.00 0.00 C ATOM 1047 O VAL A 70 -16.728 -9.709 0.783 1.00 0.00 O ATOM 1048 CB VAL A 70 -19.855 -9.705 1.677 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.091 -10.447 2.775 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.024 -8.966 2.343 1.00 0.00 C ATOM 0 H VAL A 70 -20.656 -8.166 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.435 -8.121 1.690 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.246 -10.398 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -19.768 -11.124 3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.277 -11.019 2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.682 -9.727 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.663 -9.684 2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.636 -8.245 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.604 -8.443 1.583 1.00 0.00 H new ATOM 1060 N ALA A 71 -17.892 -9.778 -1.106 1.00 0.00 N ATOM 1061 CA ALA A 71 -16.813 -10.383 -1.890 1.00 0.00 C ATOM 1062 C ALA A 71 -15.612 -9.441 -2.013 1.00 0.00 C ATOM 1063 O ALA A 71 -14.495 -9.814 -1.643 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.320 -10.783 -3.273 1.00 0.00 C ATOM 0 H ALA A 71 -18.748 -9.626 -1.639 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.481 -11.278 -1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.506 -11.231 -3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.130 -11.505 -3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.686 -9.899 -3.796 1.00 0.00 H new ATOM 1070 N THR A 72 -15.846 -8.231 -2.525 1.00 0.00 N ATOM 1071 CA THR A 72 -14.858 -7.163 -2.630 1.00 0.00 C ATOM 1072 C THR A 72 -14.290 -6.882 -1.247 1.00 0.00 C ATOM 1073 O THR A 72 -13.082 -6.996 -1.040 1.00 0.00 O ATOM 1074 CB THR A 72 -15.534 -5.913 -3.213 1.00 0.00 C ATOM 1075 OG1 THR A 72 -15.979 -6.144 -4.534 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.680 -4.667 -3.231 1.00 0.00 C ATOM 0 H THR A 72 -16.760 -7.962 -2.889 1.00 0.00 H new ATOM 0 HA THR A 72 -14.041 -7.455 -3.290 1.00 0.00 H new ATOM 0 HB THR A 72 -16.364 -5.730 -2.531 1.00 0.00 H new ATOM 0 HG1 THR A 72 -16.407 -5.334 -4.881 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.249 -3.842 -3.661 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.386 -4.413 -2.213 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.789 -4.845 -3.832 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.154 -6.543 -0.284 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.686 -6.210 1.055 1.00 0.00 C ATOM 1086 C ARG A 73 -13.818 -7.319 1.632 1.00 0.00 C ATOM 1087 O ARG A 73 -12.720 -7.023 2.098 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.844 -5.872 1.997 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.237 -5.159 3.208 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.252 -4.833 4.288 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.538 -4.458 5.502 1.00 0.00 N ATOM 1092 CZ ARG A 73 -15.710 -4.893 6.745 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -16.687 -5.739 7.055 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -14.867 -4.455 7.670 1.00 0.00 N ATOM 0 H ARG A 73 -16.165 -6.494 -0.409 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.070 -5.316 0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.574 -5.234 1.499 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.369 -6.777 2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.453 -5.786 3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.762 -4.236 2.876 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.900 -4.019 3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.893 -5.694 4.477 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.802 -3.763 5.380 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.325 -6.069 6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.799 -6.059 8.017 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.121 -3.808 7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.965 -4.765 8.637 1.00 0.00 H new ATOM 1108 N SER A 74 -14.263 -8.579 1.582 1.00 0.00 N ATOM 1109 CA SER A 74 -13.472 -9.681 2.103 1.00 0.00 C ATOM 1110 C SER A 74 -12.073 -9.693 1.487 1.00 0.00 C ATOM 1111 O SER A 74 -11.126 -9.877 2.238 1.00 0.00 O ATOM 1112 CB SER A 74 -14.160 -11.027 1.902 1.00 0.00 C ATOM 1113 OG SER A 74 -15.252 -11.213 2.794 1.00 0.00 O ATOM 0 H SER A 74 -15.163 -8.853 1.187 1.00 0.00 H new ATOM 0 HA SER A 74 -13.375 -9.522 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.516 -11.101 0.875 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.435 -11.828 2.046 1.00 0.00 H new ATOM 0 HG SER A 74 -16.049 -10.774 2.431 1.00 0.00 H new ATOM 1119 N ARG A 75 -11.914 -9.439 0.180 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.596 -9.459 -0.468 1.00 0.00 C ATOM 1121 C ARG A 75 -9.672 -8.478 0.219 1.00 0.00 C ATOM 1122 O ARG A 75 -8.529 -8.817 0.523 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.665 -9.097 -1.958 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.205 -10.259 -2.790 1.00 0.00 C ATOM 1125 CD ARG A 75 -11.800 -9.765 -4.111 1.00 0.00 C ATOM 1126 NE ARG A 75 -11.797 -10.819 -5.150 1.00 0.00 N ATOM 1127 CZ ARG A 75 -10.734 -11.213 -5.872 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -9.586 -10.550 -5.786 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -10.807 -12.281 -6.661 1.00 0.00 N ATOM 0 H ARG A 75 -12.685 -9.217 -0.450 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.220 -10.478 -0.382 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.303 -8.224 -2.093 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.672 -8.824 -2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.403 -10.968 -2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.967 -10.793 -2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.822 -9.424 -3.943 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.232 -8.905 -4.465 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.683 -11.290 -5.335 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.510 -9.740 -5.171 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.781 -10.851 -6.335 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.676 -12.811 -6.723 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.994 -12.570 -7.204 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.151 -7.252 0.420 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.376 -6.235 1.082 1.00 0.00 C ATOM 1145 C TYR A 76 -9.031 -6.620 2.508 1.00 0.00 C ATOM 1146 O TYR A 76 -7.846 -6.605 2.831 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.115 -4.904 1.032 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.265 -4.387 -0.380 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.137 -4.235 -1.209 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.541 -4.101 -0.883 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.289 -3.824 -2.542 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.682 -3.644 -2.199 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.568 -3.528 -3.051 1.00 0.00 C ATOM 1154 OH TYR A 76 -10.755 -3.182 -4.355 1.00 0.00 O ATOM 0 H TYR A 76 -11.080 -6.949 0.127 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.430 -6.132 0.550 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.101 -5.021 1.481 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.577 -4.169 1.631 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.151 -4.436 -0.817 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.412 -4.232 -0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.422 -3.734 -3.180 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.662 -3.376 -2.566 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.707 -3.016 -4.516 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.012 -6.930 3.363 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.725 -7.188 4.780 1.00 0.00 C ATOM 1166 C VAL A 77 -8.819 -8.413 4.920 1.00 0.00 C ATOM 1167 O VAL A 77 -7.907 -8.410 5.748 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.000 -7.287 5.649 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -11.962 -6.134 5.340 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -11.765 -8.604 5.491 1.00 0.00 C ATOM 0 H VAL A 77 -10.996 -7.008 3.106 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.188 -6.324 5.171 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.641 -7.235 6.677 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.851 -6.225 5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.470 -5.184 5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.250 -6.172 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.645 -8.593 6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.075 -8.722 4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.120 -9.436 5.774 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.012 -9.427 4.071 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.173 -10.609 4.027 1.00 0.00 C ATOM 1182 C ARG A 78 -6.740 -10.201 3.771 1.00 0.00 C ATOM 1183 O ARG A 78 -5.882 -10.418 4.621 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.689 -11.585 2.962 1.00 0.00 C ATOM 1185 CG ARG A 78 -9.886 -12.388 3.499 1.00 0.00 C ATOM 1186 CD ARG A 78 -9.473 -13.851 3.632 1.00 0.00 C ATOM 1187 NE ARG A 78 -10.470 -14.697 4.281 1.00 0.00 N ATOM 1188 CZ ARG A 78 -11.694 -14.996 3.853 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -12.191 -14.487 2.732 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -12.424 -15.829 4.571 1.00 0.00 N ATOM 0 H ARG A 78 -9.770 -9.441 3.388 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.211 -11.125 4.986 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.985 -11.034 2.069 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.890 -12.266 2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.202 -11.995 4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.737 -12.295 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.265 -14.250 2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.543 -13.904 4.198 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.195 -15.110 5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.630 -13.846 2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.133 -14.737 2.432 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.047 -16.227 5.431 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.366 -16.075 4.266 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.508 -9.544 2.639 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.197 -9.086 2.216 1.00 0.00 C ATOM 1206 C LEU A 79 -4.549 -8.187 3.274 1.00 0.00 C ATOM 1207 O LEU A 79 -3.372 -8.349 3.572 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.374 -8.375 0.873 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.080 -7.793 0.286 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -2.941 -8.803 0.134 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.438 -7.258 -1.096 1.00 0.00 C ATOM 0 H LEU A 79 -7.248 -9.311 1.976 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.515 -9.928 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.799 -9.078 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.097 -7.569 0.995 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.712 -7.033 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.067 -8.306 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.688 -9.216 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.255 -9.609 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.550 -6.830 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.816 -8.072 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.204 -6.489 -1.001 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.307 -7.253 3.850 1.00 0.00 N ATOM 1224 CA VAL A 80 -4.878 -6.394 4.953 1.00 0.00 C ATOM 1225 C VAL A 80 -4.335 -7.251 6.105 1.00 0.00 C ATOM 1226 O VAL A 80 -3.234 -7.010 6.594 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.041 -5.457 5.369 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.804 -4.746 6.699 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.299 -4.335 4.353 1.00 0.00 C ATOM 0 H VAL A 80 -6.265 -7.068 3.552 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.057 -5.750 4.638 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.889 -6.138 5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.657 -4.107 6.927 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.682 -5.486 7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.903 -4.137 6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.124 -3.713 4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.402 -3.724 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.554 -4.771 3.387 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.091 -8.246 6.566 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.690 -9.047 7.720 1.00 0.00 C ATOM 1241 C ASP A 81 -3.569 -10.023 7.385 1.00 0.00 C ATOM 1242 O ASP A 81 -2.723 -10.297 8.230 1.00 0.00 O ATOM 1243 CB ASP A 81 -5.890 -9.799 8.301 1.00 0.00 C ATOM 1244 CG ASP A 81 -6.193 -9.233 9.679 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -5.528 -9.644 10.644 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -7.025 -8.286 9.755 1.00 0.00 O ATOM 0 H ASP A 81 -5.985 -8.517 6.157 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.307 -8.354 8.469 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.756 -9.691 7.648 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.672 -10.865 8.369 1.00 0.00 H new ATOM 1251 N SER A 82 -3.548 -10.528 6.157 1.00 0.00 N ATOM 1252 CA SER A 82 -2.489 -11.350 5.604 1.00 0.00 C ATOM 1253 C SER A 82 -1.171 -10.582 5.553 1.00 0.00 C ATOM 1254 O SER A 82 -0.125 -11.159 5.821 1.00 0.00 O ATOM 1255 CB SER A 82 -2.904 -11.752 4.192 1.00 0.00 C ATOM 1256 OG SER A 82 -3.615 -12.968 4.189 1.00 0.00 O ATOM 0 H SER A 82 -4.305 -10.366 5.493 1.00 0.00 H new ATOM 0 HA SER A 82 -2.338 -12.228 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.522 -10.967 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.018 -11.846 3.564 1.00 0.00 H new ATOM 0 HG SER A 82 -3.868 -13.197 3.270 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.187 -9.287 5.239 1.00 0.00 N ATOM 1263 CA VAL A 83 0.024 -8.482 5.293 1.00 0.00 C ATOM 1264 C VAL A 83 0.558 -8.431 6.734 1.00 0.00 C ATOM 1265 O VAL A 83 1.773 -8.463 6.910 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.238 -7.121 4.614 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.793 -6.045 4.982 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.231 -7.323 3.083 1.00 0.00 C ATOM 0 H VAL A 83 -2.022 -8.779 4.947 1.00 0.00 H new ATOM 0 HA VAL A 83 0.837 -8.931 4.722 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.205 -6.765 4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.547 -5.115 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.778 -5.880 6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.787 -6.375 4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.415 -6.369 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.739 -7.712 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.012 -8.031 2.806 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.293 -8.447 7.771 1.00 0.00 N ATOM 1279 CA LYS A 84 0.203 -8.561 9.146 1.00 0.00 C ATOM 1280 C LYS A 84 0.765 -9.946 9.443 1.00 0.00 C ATOM 1281 O LYS A 84 1.635 -10.049 10.302 1.00 0.00 O ATOM 1282 CB LYS A 84 -0.878 -8.262 10.187 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.392 -6.827 10.133 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.420 -6.640 11.251 1.00 0.00 C ATOM 1285 CE LYS A 84 -2.790 -5.167 11.404 1.00 0.00 C ATOM 1286 NZ LYS A 84 -3.941 -4.997 12.309 1.00 0.00 N ATOM 0 H LYS A 84 -1.307 -8.384 7.685 1.00 0.00 H new ATOM 0 HA LYS A 84 0.995 -7.816 9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.714 -8.945 10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.478 -8.460 11.182 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.568 -6.124 10.254 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.845 -6.623 9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.314 -7.224 11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.016 -7.018 12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.935 -4.613 11.791 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.027 -4.746 10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.170 -3.986 12.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.762 -5.507 11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.704 -5.378 13.247 1.00 0.00 H new ATOM 1300 N GLU A 85 0.271 -11.007 8.803 1.00 0.00 N ATOM 1301 CA GLU A 85 0.870 -12.334 8.929 1.00 0.00 C ATOM 1302 C GLU A 85 2.276 -12.278 8.318 1.00 0.00 C ATOM 1303 O GLU A 85 3.261 -12.619 8.974 1.00 0.00 O ATOM 1304 CB GLU A 85 -0.015 -13.426 8.302 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.367 -13.572 8.993 1.00 0.00 C ATOM 1306 CD GLU A 85 -2.220 -14.746 8.496 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -1.721 -15.858 8.231 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -3.472 -14.650 8.540 1.00 0.00 O ATOM 0 H GLU A 85 -0.544 -10.972 8.191 1.00 0.00 H new ATOM 0 HA GLU A 85 0.951 -12.611 9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.175 -13.195 7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.512 -14.379 8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.201 -13.689 10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.930 -12.649 8.857 1.00 0.00 H new ATOM 1315 N ASN A 86 2.392 -11.711 7.114 1.00 0.00 N ATOM 1316 CA ASN A 86 3.626 -11.549 6.338 1.00 0.00 C ATOM 1317 C ASN A 86 4.526 -10.437 6.894 1.00 0.00 C ATOM 1318 O ASN A 86 5.422 -9.966 6.184 1.00 0.00 O ATOM 1319 CB ASN A 86 3.320 -11.266 4.853 1.00 0.00 C ATOM 1320 CG ASN A 86 2.495 -12.331 4.146 1.00 0.00 C ATOM 1321 OD1 ASN A 86 2.135 -13.367 4.691 1.00 0.00 O ATOM 1322 ND2 ASN A 86 2.238 -12.112 2.868 1.00 0.00 N ATOM 0 H ASN A 86 1.581 -11.331 6.626 1.00 0.00 H new ATOM 0 HA ASN A 86 4.163 -12.494 6.423 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.793 -10.315 4.782 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.264 -11.148 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.734 -12.811 2.322 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.544 -11.244 2.428 1.00 0.00 H new ATOM 1329 N ALA A 87 4.291 -10.022 8.143 1.00 0.00 N ATOM 1330 CA ALA A 87 5.013 -9.023 8.905 1.00 0.00 C ATOM 1331 C ALA A 87 5.224 -7.725 8.114 1.00 0.00 C ATOM 1332 O ALA A 87 6.360 -7.284 7.928 1.00 0.00 O ATOM 1333 CB ALA A 87 6.308 -9.647 9.451 1.00 0.00 C ATOM 0 H ALA A 87 3.522 -10.417 8.685 1.00 0.00 H new ATOM 0 HA ALA A 87 4.413 -8.712 9.760 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.857 -8.901 10.026 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.062 -10.492 10.094 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.924 -9.991 8.620 1.00 0.00 H new ATOM 1339 N GLY A 88 4.133 -7.121 7.639 1.00 0.00 N ATOM 1340 CA GLY A 88 4.087 -5.802 7.025 1.00 0.00 C ATOM 1341 C GLY A 88 3.064 -4.925 7.754 1.00 0.00 C ATOM 1342 O GLY A 88 2.128 -5.435 8.379 1.00 0.00 O ATOM 0 H GLY A 88 3.215 -7.564 7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.072 -5.337 7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.819 -5.890 5.972 1.00 0.00 H new ATOM 1346 N THR A 89 3.223 -3.603 7.696 1.00 0.00 N ATOM 1347 CA THR A 89 2.340 -2.655 8.366 1.00 0.00 C ATOM 1348 C THR A 89 1.021 -2.530 7.596 1.00 0.00 C ATOM 1349 O THR A 89 1.004 -2.556 6.362 1.00 0.00 O ATOM 1350 CB THR A 89 3.039 -1.288 8.455 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.282 -1.352 9.125 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.212 -0.212 9.161 1.00 0.00 C ATOM 0 H THR A 89 3.978 -3.157 7.176 1.00 0.00 H new ATOM 0 HA THR A 89 2.118 -3.012 9.372 1.00 0.00 H new ATOM 0 HB THR A 89 3.177 -1.013 7.409 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.685 -0.459 9.153 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.773 0.722 9.183 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.276 -0.060 8.623 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.996 -0.530 10.181 1.00 0.00 H new ATOM 1360 N VAL A 90 -0.071 -2.266 8.313 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.360 -1.891 7.747 1.00 0.00 C ATOM 1362 C VAL A 90 -1.602 -0.405 8.002 1.00 0.00 C ATOM 1363 O VAL A 90 -1.543 0.058 9.145 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.450 -2.775 8.377 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.863 -2.216 8.150 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -2.343 -4.192 7.802 1.00 0.00 C ATOM 0 H VAL A 90 -0.080 -2.309 9.332 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.380 -2.049 6.669 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.287 -2.791 9.455 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.595 -2.877 8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.937 -1.223 8.594 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.061 -2.150 7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.113 -4.823 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.479 -4.157 6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.360 -4.604 8.031 1.00 0.00 H new ATOM 1376 N ARG A 91 -1.960 0.332 6.948 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.382 1.728 7.025 1.00 0.00 C ATOM 1378 C ARG A 91 -3.793 1.807 6.489 1.00 0.00 C ATOM 1379 O ARG A 91 -4.032 1.448 5.333 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.466 2.631 6.174 1.00 0.00 C ATOM 1381 CG ARG A 91 0.033 2.533 6.460 1.00 0.00 C ATOM 1382 CD ARG A 91 0.417 3.433 7.622 1.00 0.00 C ATOM 1383 NE ARG A 91 1.793 3.200 8.076 1.00 0.00 N ATOM 1384 CZ ARG A 91 2.280 3.654 9.233 1.00 0.00 C ATOM 1385 NH1 ARG A 91 1.542 4.407 10.041 1.00 0.00 N ATOM 1386 NH2 ARG A 91 3.494 3.312 9.628 1.00 0.00 N ATOM 0 H ARG A 91 -1.964 -0.036 5.997 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.327 2.071 8.058 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.631 2.393 5.123 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.775 3.666 6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.298 1.501 6.690 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.597 2.817 5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.307 4.475 7.323 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.270 3.265 8.451 1.00 0.00 H new ATOM 0 HE ARG A 91 2.413 2.660 7.473 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.585 4.648 9.781 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.932 4.744 10.921 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.065 2.698 9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.860 3.663 10.513 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.712 2.288 7.312 1.00 0.00 N ATOM 1401 CA ILE A 92 -6.095 2.490 6.936 1.00 0.00 C ATOM 1402 C ILE A 92 -6.246 3.995 6.819 1.00 0.00 C ATOM 1403 O ILE A 92 -6.041 4.730 7.792 1.00 0.00 O ATOM 1404 CB ILE A 92 -7.047 1.862 7.972 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.696 0.394 8.310 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.504 1.998 7.497 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.864 -0.621 7.174 1.00 0.00 C ATOM 0 H ILE A 92 -4.510 2.552 8.276 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.356 2.002 5.997 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.922 2.415 8.903 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.661 0.359 8.650 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.318 0.077 9.147 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.170 1.552 8.235 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.750 3.053 7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.625 1.486 6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.589 -1.614 7.530 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.903 -0.629 6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.220 -0.343 6.339 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.618 4.463 5.636 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.638 5.884 5.345 1.00 0.00 C ATOM 1421 C PHE A 93 -8.015 6.404 5.758 1.00 0.00 C ATOM 1422 O PHE A 93 -8.918 5.627 6.083 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.370 6.082 3.843 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.915 6.113 3.403 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.889 5.482 4.136 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.589 6.797 2.220 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.547 5.610 3.735 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -3.254 6.889 1.797 1.00 0.00 C ATOM 1429 CZ PHE A 93 -2.227 6.317 2.564 1.00 0.00 C ATOM 0 H PHE A 93 -6.912 3.872 4.859 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.870 6.434 5.889 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.872 5.281 3.300 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.838 7.017 3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.135 4.897 5.010 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.371 7.255 1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.762 5.164 4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -3.016 7.402 0.877 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.197 6.420 2.256 1.00 0.00 H new ATOM 1439 N SER A 94 -8.129 7.718 5.915 1.00 0.00 N ATOM 1440 CA SER A 94 -9.373 8.382 6.268 1.00 0.00 C ATOM 1441 C SER A 94 -9.917 9.046 5.008 1.00 0.00 C ATOM 1442 O SER A 94 -9.269 9.976 4.535 1.00 0.00 O ATOM 1443 CB SER A 94 -9.118 9.382 7.400 1.00 0.00 C ATOM 1444 OG SER A 94 -8.422 8.769 8.478 1.00 0.00 O ATOM 0 H SER A 94 -7.345 8.360 5.798 1.00 0.00 H new ATOM 0 HA SER A 94 -10.117 7.676 6.637 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.539 10.224 7.022 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.067 9.782 7.757 1.00 0.00 H new ATOM 0 HG SER A 94 -8.270 9.429 9.187 1.00 0.00 H new ATOM 1450 N SER A 95 -11.053 8.602 4.465 1.00 0.00 N ATOM 1451 CA SER A 95 -11.544 9.038 3.155 1.00 0.00 C ATOM 1452 C SER A 95 -11.699 10.563 3.064 1.00 0.00 C ATOM 1453 O SER A 95 -11.546 11.139 1.990 1.00 0.00 O ATOM 1454 CB SER A 95 -12.868 8.316 2.882 1.00 0.00 C ATOM 1455 OG SER A 95 -13.280 8.452 1.540 1.00 0.00 O ATOM 0 H SER A 95 -11.662 7.925 4.925 1.00 0.00 H new ATOM 0 HA SER A 95 -10.811 8.777 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.760 7.258 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.640 8.715 3.540 1.00 0.00 H new ATOM 0 HG SER A 95 -14.127 7.976 1.408 1.00 0.00 H new ATOM 1461 N LEU A 96 -11.990 11.225 4.188 1.00 0.00 N ATOM 1462 CA LEU A 96 -12.196 12.653 4.306 1.00 0.00 C ATOM 1463 C LEU A 96 -10.912 13.427 3.992 1.00 0.00 C ATOM 1464 O LEU A 96 -10.954 14.512 3.414 1.00 0.00 O ATOM 1465 CB LEU A 96 -12.650 12.948 5.747 1.00 0.00 C ATOM 1466 CG LEU A 96 -13.671 11.982 6.391 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -14.895 11.707 5.516 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -13.090 10.666 6.935 1.00 0.00 C ATOM 0 H LEU A 96 -12.091 10.744 5.082 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.953 12.972 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.763 12.969 6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -13.079 13.950 5.765 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.998 12.547 7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.566 11.021 6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.417 12.643 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.576 11.260 4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.891 10.064 7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.617 10.114 6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -12.350 10.886 7.704 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.770 12.898 4.436 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.446 13.420 4.239 1.00 0.00 C ATOM 1482 C HIS A 97 -7.971 13.161 2.807 1.00 0.00 C ATOM 1483 O HIS A 97 -8.181 12.076 2.264 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.544 12.706 5.250 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.178 13.296 5.283 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -5.019 12.766 4.779 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -5.937 14.565 5.693 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.085 13.727 4.882 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -4.583 14.838 5.459 1.00 0.00 N ATOM 0 H HIS A 97 -9.762 12.034 4.978 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.422 14.499 4.388 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.991 12.767 6.242 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.477 11.648 4.995 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.659 15.244 6.123 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.064 13.622 4.545 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.080 15.697 5.679 1.00 0.00 H new ATOM 1497 N VAL A 98 -7.254 14.116 2.216 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.865 14.100 0.806 1.00 0.00 C ATOM 1499 C VAL A 98 -5.946 12.925 0.442 1.00 0.00 C ATOM 1500 O VAL A 98 -5.840 12.583 -0.734 1.00 0.00 O ATOM 1501 CB VAL A 98 -6.244 15.467 0.455 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -4.761 15.569 0.847 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -6.417 15.808 -1.027 1.00 0.00 C ATOM 0 H VAL A 98 -6.920 14.941 2.715 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.757 13.940 0.200 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.793 16.198 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.380 16.553 0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.658 15.424 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.192 14.802 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.966 16.779 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.930 15.046 -1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.479 15.843 -1.271 1.00 0.00 H new ATOM 1513 N SER A 99 -5.293 12.274 1.412 1.00 0.00 N ATOM 1514 CA SER A 99 -4.544 11.056 1.119 1.00 0.00 C ATOM 1515 C SER A 99 -5.467 9.953 0.586 1.00 0.00 C ATOM 1516 O SER A 99 -5.000 9.109 -0.175 1.00 0.00 O ATOM 1517 CB SER A 99 -3.764 10.572 2.341 1.00 0.00 C ATOM 1518 OG SER A 99 -2.864 11.566 2.790 1.00 0.00 O ATOM 0 H SER A 99 -5.270 12.567 2.389 1.00 0.00 H new ATOM 0 HA SER A 99 -3.822 11.297 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.457 10.315 3.142 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.215 9.664 2.091 1.00 0.00 H new ATOM 0 HG SER A 99 -1.944 11.281 2.607 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.759 9.972 0.937 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.780 9.145 0.318 1.00 0.00 C ATOM 1526 C GLY A 100 -7.862 9.494 -1.159 1.00 0.00 C ATOM 1527 O GLY A 100 -7.642 8.620 -1.987 1.00 0.00 O ATOM 0 H GLY A 100 -7.122 10.577 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.539 8.090 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.744 9.311 0.799 1.00 0.00 H new ATOM 1531 N GLU A 101 -8.081 10.772 -1.493 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.179 11.214 -2.881 1.00 0.00 C ATOM 1533 C GLU A 101 -6.934 10.861 -3.707 1.00 0.00 C ATOM 1534 O GLU A 101 -7.035 10.605 -4.914 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.402 12.732 -2.994 1.00 0.00 C ATOM 1536 CG GLU A 101 -9.725 13.289 -2.436 1.00 0.00 C ATOM 1537 CD GLU A 101 -10.055 14.686 -2.999 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -9.344 15.184 -3.902 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -11.058 15.310 -2.576 1.00 0.00 O ATOM 0 H GLU A 101 -8.194 11.521 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.041 10.680 -3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.581 13.234 -2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.337 13.006 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.536 12.602 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.664 13.343 -1.349 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.745 10.921 -3.102 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.504 10.510 -3.746 1.00 0.00 C ATOM 1548 C GLN A 102 -4.507 9.002 -3.981 1.00 0.00 C ATOM 1549 O GLN A 102 -4.219 8.559 -5.094 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.288 11.001 -2.939 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.136 12.518 -3.100 1.00 0.00 C ATOM 1552 CD GLN A 102 -1.702 13.044 -3.141 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -1.052 13.107 -4.188 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -1.181 13.470 -2.006 1.00 0.00 N ATOM 0 H GLN A 102 -5.620 11.258 -2.147 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.427 10.978 -4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.413 10.749 -1.886 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.385 10.497 -3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.639 12.819 -4.019 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.658 13.005 -2.277 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.723 13.415 -1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.236 13.854 -1.991 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.903 8.215 -2.981 1.00 0.00 N ATOM 1564 CA LEU A 103 -5.000 6.775 -3.137 1.00 0.00 C ATOM 1565 C LEU A 103 -6.014 6.386 -4.200 1.00 0.00 C ATOM 1566 O LEU A 103 -5.781 5.419 -4.911 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.359 6.080 -1.815 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.705 4.697 -1.691 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.182 4.683 -1.793 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.093 4.084 -0.347 1.00 0.00 C ATOM 0 H LEU A 103 -5.161 8.557 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.013 6.439 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.043 6.706 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.442 5.976 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.074 4.126 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.820 3.660 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.878 5.082 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.758 5.297 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.633 3.101 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.746 4.729 0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.177 3.985 -0.292 1.00 0.00 H new ATOM 1582 N SER A 104 -7.133 7.090 -4.327 1.00 0.00 N ATOM 1583 CA SER A 104 -8.187 6.787 -5.294 1.00 0.00 C ATOM 1584 C SER A 104 -7.699 6.892 -6.743 1.00 0.00 C ATOM 1585 O SER A 104 -8.155 6.133 -7.597 1.00 0.00 O ATOM 1586 CB SER A 104 -9.379 7.708 -5.050 1.00 0.00 C ATOM 1587 OG SER A 104 -9.867 7.455 -3.747 1.00 0.00 O ATOM 0 H SER A 104 -7.339 7.905 -3.749 1.00 0.00 H new ATOM 0 HA SER A 104 -8.491 5.751 -5.148 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.081 8.752 -5.149 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.158 7.527 -5.791 1.00 0.00 H new ATOM 0 HG SER A 104 -9.240 7.818 -3.087 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.702 7.737 -7.024 1.00 0.00 N ATOM 1594 CA GLN A 105 -5.974 7.755 -8.297 1.00 0.00 C ATOM 1595 C GLN A 105 -5.074 6.521 -8.490 1.00 0.00 C ATOM 1596 O GLN A 105 -4.320 6.431 -9.457 1.00 0.00 O ATOM 1597 CB GLN A 105 -5.165 9.050 -8.375 1.00 0.00 C ATOM 1598 CG GLN A 105 -6.038 10.255 -8.749 1.00 0.00 C ATOM 1599 CD GLN A 105 -5.193 11.444 -9.197 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -5.455 12.053 -10.234 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -4.172 11.813 -8.438 1.00 0.00 N ATOM 0 H GLN A 105 -6.373 8.440 -6.362 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.699 7.716 -9.110 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.685 9.235 -7.414 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.370 8.936 -9.112 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.724 9.974 -9.548 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.647 10.543 -7.892 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.963 11.302 -7.580 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.595 12.608 -8.711 1.00 0.00 H new ATOM 1610 N LEU A 106 -5.122 5.581 -7.556 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.463 4.288 -7.525 1.00 0.00 C ATOM 1612 C LEU A 106 -5.491 3.251 -7.027 1.00 0.00 C ATOM 1613 O LEU A 106 -5.147 2.318 -6.304 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.232 4.352 -6.604 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.221 5.479 -6.876 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.361 5.683 -5.634 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.333 5.181 -8.090 1.00 0.00 C ATOM 0 H LEU A 106 -5.682 5.723 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.110 4.002 -8.516 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.581 4.450 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.706 3.400 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.778 6.388 -7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.641 6.480 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.997 5.955 -4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.829 4.760 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.636 6.005 -8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.775 4.261 -7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.956 5.065 -8.977 1.00 0.00 H new ATOM 1629 N THR A 107 -6.768 3.458 -7.372 1.00 0.00 N ATOM 1630 CA THR A 107 -7.944 2.648 -7.035 1.00 0.00 C ATOM 1631 C THR A 107 -8.216 2.500 -5.531 1.00 0.00 C ATOM 1632 O THR A 107 -9.072 1.712 -5.130 1.00 0.00 O ATOM 1633 CB THR A 107 -7.983 1.323 -7.826 1.00 0.00 C ATOM 1634 OG1 THR A 107 -7.196 0.301 -7.269 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.527 1.482 -9.279 1.00 0.00 C ATOM 0 H THR A 107 -7.026 4.264 -7.942 1.00 0.00 H new ATOM 0 HA THR A 107 -8.803 3.226 -7.375 1.00 0.00 H new ATOM 0 HB THR A 107 -9.035 1.043 -7.778 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.415 0.694 -6.827 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.576 0.517 -9.783 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.178 2.192 -9.789 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.501 1.851 -9.300 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.524 3.284 -4.705 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.615 3.361 -3.260 1.00 0.00 C ATOM 1645 C GLY A 108 -6.958 2.178 -2.557 1.00 0.00 C ATOM 1646 O GLY A 108 -7.224 1.981 -1.375 1.00 0.00 O ATOM 0 H GLY A 108 -6.827 3.935 -5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.146 4.284 -2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.664 3.412 -2.970 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.086 1.413 -3.222 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.312 0.367 -2.562 1.00 0.00 C ATOM 1652 C VAL A 109 -3.914 0.318 -3.181 1.00 0.00 C ATOM 1653 O VAL A 109 -3.756 0.113 -4.386 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.094 -0.963 -2.593 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.423 -1.426 -4.014 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.374 -2.074 -1.818 1.00 0.00 C ATOM 0 H VAL A 109 -5.901 1.503 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.163 0.581 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.040 -0.758 -2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.973 -2.366 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.032 -0.671 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.498 -1.571 -4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.961 -2.991 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.392 -2.247 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.256 -1.774 -0.777 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.882 0.527 -2.367 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.491 0.460 -2.786 1.00 0.00 C ATOM 1668 C ALA A 110 -0.636 -0.074 -1.638 1.00 0.00 C ATOM 1669 O ALA A 110 -1.149 -0.351 -0.562 1.00 0.00 O ATOM 1670 CB ALA A 110 -1.039 1.841 -3.270 1.00 0.00 C ATOM 0 H ALA A 110 -2.995 0.752 -1.379 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.374 -0.231 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.004 1.793 -3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.658 2.152 -4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.140 2.562 -2.459 1.00 0.00 H new ATOM 1676 N ALA A 111 0.659 -0.300 -1.850 1.00 0.00 N ATOM 1677 CA ALA A 111 1.568 -0.774 -0.812 1.00 0.00 C ATOM 1678 C ALA A 111 3.006 -0.525 -1.245 1.00 0.00 C ATOM 1679 O ALA A 111 3.325 -0.675 -2.427 1.00 0.00 O ATOM 1680 CB ALA A 111 1.397 -2.279 -0.547 1.00 0.00 C ATOM 0 H ALA A 111 1.109 -0.158 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 111 1.334 -0.229 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.092 -2.592 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.375 -2.478 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.603 -2.835 -1.462 1.00 0.00 H new ATOM 1686 N ILE A 112 3.867 -0.241 -0.276 1.00 0.00 N ATOM 1687 CA ILE A 112 5.299 -0.173 -0.462 1.00 0.00 C ATOM 1688 C ILE A 112 5.802 -1.598 -0.357 1.00 0.00 C ATOM 1689 O ILE A 112 5.380 -2.363 0.521 1.00 0.00 O ATOM 1690 CB ILE A 112 5.955 0.716 0.619 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.373 2.140 0.526 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.487 0.704 0.435 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.879 3.106 1.600 1.00 0.00 C ATOM 0 H ILE A 112 3.575 -0.048 0.682 1.00 0.00 H new ATOM 0 HA ILE A 112 5.550 0.270 -1.426 1.00 0.00 H new ATOM 0 HB ILE A 112 5.739 0.330 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.610 2.552 -0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.287 2.080 0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.950 1.331 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.857 -0.317 0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.738 1.089 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.417 4.083 1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.619 2.722 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.962 3.202 1.522 1.00 0.00 H new ATOM 1705 N LEU A 113 6.746 -1.928 -1.228 1.00 0.00 N ATOM 1706 CA LEU A 113 7.431 -3.197 -1.199 1.00 0.00 C ATOM 1707 C LEU A 113 8.829 -2.967 -0.670 1.00 0.00 C ATOM 1708 O LEU A 113 9.491 -1.999 -1.045 1.00 0.00 O ATOM 1709 CB LEU A 113 7.511 -3.798 -2.599 1.00 0.00 C ATOM 1710 CG LEU A 113 6.141 -3.973 -3.264 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.238 -4.226 -4.762 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.407 -5.138 -2.636 1.00 0.00 C ATOM 0 H LEU A 113 7.055 -1.311 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 113 6.885 -3.891 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.132 -3.159 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.006 -4.767 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 113 5.603 -3.037 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.237 -4.342 -5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.735 -3.383 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.812 -5.135 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.435 -5.256 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.990 -6.050 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.268 -4.949 -1.572 1.00 0.00 H new ATOM 1724 N ARG A 114 9.288 -3.913 0.140 1.00 0.00 N ATOM 1725 CA ARG A 114 10.661 -4.101 0.572 1.00 0.00 C ATOM 1726 C ARG A 114 11.568 -4.084 -0.655 1.00 0.00 C ATOM 1727 O ARG A 114 12.420 -3.201 -0.770 1.00 0.00 O ATOM 1728 CB ARG A 114 10.763 -5.446 1.303 1.00 0.00 C ATOM 1729 CG ARG A 114 9.949 -5.529 2.602 1.00 0.00 C ATOM 1730 CD ARG A 114 9.898 -6.975 3.099 1.00 0.00 C ATOM 1731 NE ARG A 114 11.230 -7.483 3.476 1.00 0.00 N ATOM 1732 CZ ARG A 114 11.495 -8.377 4.436 1.00 0.00 C ATOM 1733 NH1 ARG A 114 10.535 -8.878 5.208 1.00 0.00 N ATOM 1734 NH2 ARG A 114 12.745 -8.790 4.605 1.00 0.00 N ATOM 0 H ARG A 114 8.665 -4.616 0.538 1.00 0.00 H new ATOM 0 HA ARG A 114 10.970 -3.304 1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.431 -6.237 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 114 11.810 -5.642 1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.398 -4.890 3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 114 8.938 -5.159 2.431 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.231 -7.038 3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 114 9.476 -7.610 2.320 1.00 0.00 H new ATOM 0 HE ARG A 114 12.027 -7.118 2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.568 -8.582 5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 114 10.766 -9.558 5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 114 13.487 -8.426 4.008 1.00 0.00 H new ATOM 0 HH22 ARG A 114 12.963 -9.471 5.332 1.00 0.00 H new ATOM 1748 N PHE A 115 11.345 -5.036 -1.563 1.00 0.00 N ATOM 1749 CA PHE A 115 12.196 -5.408 -2.684 1.00 0.00 C ATOM 1750 C PHE A 115 11.351 -5.471 -3.962 1.00 0.00 C ATOM 1751 O PHE A 115 10.125 -5.575 -3.869 1.00 0.00 O ATOM 1752 CB PHE A 115 12.866 -6.754 -2.356 1.00 0.00 C ATOM 1753 CG PHE A 115 11.991 -7.838 -1.746 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.131 -8.623 -2.545 1.00 0.00 C ATOM 1755 CD2 PHE A 115 12.114 -8.115 -0.369 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.435 -9.700 -1.963 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.393 -9.171 0.213 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.561 -9.969 -0.588 1.00 0.00 C ATOM 0 H PHE A 115 10.500 -5.607 -1.527 1.00 0.00 H new ATOM 0 HA PHE A 115 12.980 -4.669 -2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.300 -7.148 -3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.692 -6.562 -1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.008 -8.399 -3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 115 12.767 -7.511 0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.801 -10.323 -2.576 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.478 -9.368 1.271 1.00 0.00 H new ATOM 0 HZ PHE A 115 10.016 -10.791 -0.148 1.00 0.00 H new ATOM 1768 N PRO A 116 11.971 -5.381 -5.152 1.00 0.00 N ATOM 1769 CA PRO A 116 11.255 -5.359 -6.412 1.00 0.00 C ATOM 1770 C PRO A 116 10.693 -6.747 -6.705 1.00 0.00 C ATOM 1771 O PRO A 116 11.430 -7.677 -7.055 1.00 0.00 O ATOM 1772 CB PRO A 116 12.256 -4.873 -7.458 1.00 0.00 C ATOM 1773 CG PRO A 116 13.601 -5.326 -6.902 1.00 0.00 C ATOM 1774 CD PRO A 116 13.405 -5.323 -5.386 1.00 0.00 C ATOM 0 HA PRO A 116 10.394 -4.690 -6.404 1.00 0.00 H new ATOM 0 HB2 PRO A 116 12.058 -5.311 -8.436 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.216 -3.790 -7.579 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.868 -6.318 -7.266 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.403 -4.650 -7.201 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.907 -6.176 -4.929 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.834 -4.425 -4.942 1.00 0.00 H new ATOM 1782 N VAL A 117 9.380 -6.886 -6.557 1.00 0.00 N ATOM 1783 CA VAL A 117 8.637 -8.060 -6.970 1.00 0.00 C ATOM 1784 C VAL A 117 8.867 -8.225 -8.483 1.00 0.00 C ATOM 1785 O VAL A 117 8.803 -7.230 -9.207 1.00 0.00 O ATOM 1786 CB VAL A 117 7.148 -7.843 -6.644 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.256 -8.992 -7.129 1.00 0.00 C ATOM 1788 CG2 VAL A 117 6.851 -7.656 -5.148 1.00 0.00 C ATOM 0 H VAL A 117 8.793 -6.166 -6.136 1.00 0.00 H new ATOM 0 HA VAL A 117 8.963 -8.961 -6.451 1.00 0.00 H new ATOM 0 HB VAL A 117 6.918 -6.921 -7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.218 -8.781 -6.870 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.347 -9.092 -8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.568 -9.921 -6.651 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.780 -7.509 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.172 -8.542 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.390 -6.784 -4.776 1.00 0.00 H new ATOM 1798 N PRO A 118 9.116 -9.440 -8.990 1.00 0.00 N ATOM 1799 CA PRO A 118 9.125 -9.705 -10.422 1.00 0.00 C ATOM 1800 C PRO A 118 7.697 -9.570 -10.950 1.00 0.00 C ATOM 1801 O PRO A 118 6.826 -10.348 -10.564 1.00 0.00 O ATOM 1802 CB PRO A 118 9.672 -11.127 -10.576 1.00 0.00 C ATOM 1803 CG PRO A 118 9.382 -11.798 -9.233 1.00 0.00 C ATOM 1804 CD PRO A 118 9.349 -10.650 -8.225 1.00 0.00 C ATOM 0 HA PRO A 118 9.742 -9.009 -10.990 1.00 0.00 H new ATOM 0 HB2 PRO A 118 9.183 -11.653 -11.396 1.00 0.00 H new ATOM 0 HB3 PRO A 118 10.740 -11.120 -10.793 1.00 0.00 H new ATOM 0 HG2 PRO A 118 8.433 -12.333 -9.255 1.00 0.00 H new ATOM 0 HG3 PRO A 118 10.153 -12.526 -8.979 1.00 0.00 H new ATOM 0 HD2 PRO A 118 8.560 -10.802 -7.489 1.00 0.00 H new ATOM 0 HD3 PRO A 118 10.289 -10.588 -7.676 1.00 0.00 H new ATOM 1812 N SER A 119 7.420 -8.565 -11.779 1.00 0.00 N ATOM 1813 CA SER A 119 6.117 -8.402 -12.416 1.00 0.00 C ATOM 1814 C SER A 119 6.275 -7.524 -13.660 1.00 0.00 C ATOM 1815 O SER A 119 5.863 -7.916 -14.754 1.00 0.00 O ATOM 1816 CB SER A 119 5.109 -7.811 -11.407 1.00 0.00 C ATOM 1817 OG SER A 119 3.823 -8.387 -11.559 1.00 0.00 O ATOM 0 H SER A 119 8.094 -7.841 -12.027 1.00 0.00 H new ATOM 0 HA SER A 119 5.725 -9.368 -12.733 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.467 -7.981 -10.392 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.044 -6.732 -11.546 1.00 0.00 H new ATOM 0 HG SER A 119 3.209 -7.993 -10.905 1.00 0.00 H new ATOM 1823 N GLY A 120 6.893 -6.356 -13.513 1.00 0.00 N ATOM 1824 CA GLY A 120 7.108 -5.363 -14.556 1.00 0.00 C ATOM 1825 C GLY A 120 6.922 -3.973 -13.945 1.00 0.00 C ATOM 1826 O GLY A 120 6.235 -3.855 -12.927 1.00 0.00 O ATOM 0 H GLY A 120 7.277 -6.063 -12.615 1.00 0.00 H new ATOM 0 HA2 GLY A 120 8.110 -5.463 -14.974 1.00 0.00 H new ATOM 0 HA3 GLY A 120 6.405 -5.515 -15.375 1.00 0.00 H new ATOM 1830 N PRO A 121 7.490 -2.920 -14.552 1.00 0.00 N ATOM 1831 CA PRO A 121 7.401 -1.574 -14.006 1.00 0.00 C ATOM 1832 C PRO A 121 5.970 -1.032 -14.102 1.00 0.00 C ATOM 1833 O PRO A 121 5.607 -0.173 -13.302 1.00 0.00 O ATOM 1834 CB PRO A 121 8.398 -0.747 -14.820 1.00 0.00 C ATOM 1835 CG PRO A 121 8.410 -1.446 -16.177 1.00 0.00 C ATOM 1836 CD PRO A 121 8.204 -2.919 -15.821 1.00 0.00 C ATOM 0 HA PRO A 121 7.643 -1.540 -12.944 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.082 0.293 -14.906 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.387 -0.743 -14.361 1.00 0.00 H new ATOM 0 HG2 PRO A 121 7.617 -1.075 -16.827 1.00 0.00 H new ATOM 0 HG3 PRO A 121 9.352 -1.288 -16.702 1.00 0.00 H new ATOM 0 HD2 PRO A 121 7.631 -3.432 -16.593 1.00 0.00 H new ATOM 0 HD3 PRO A 121 9.158 -3.438 -15.734 1.00 0.00 H new ATOM 1844 N SER A 122 5.167 -1.550 -15.044 1.00 0.00 N ATOM 1845 CA SER A 122 3.753 -1.265 -15.225 1.00 0.00 C ATOM 1846 C SER A 122 3.474 0.241 -15.106 1.00 0.00 C ATOM 1847 O SER A 122 2.760 0.682 -14.198 1.00 0.00 O ATOM 1848 CB SER A 122 2.955 -2.148 -14.257 1.00 0.00 C ATOM 1849 OG SER A 122 3.065 -3.526 -14.587 1.00 0.00 O ATOM 0 H SER A 122 5.516 -2.215 -15.734 1.00 0.00 H new ATOM 0 HA SER A 122 3.425 -1.518 -16.233 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.313 -1.988 -13.240 1.00 0.00 H new ATOM 0 HB3 SER A 122 1.906 -1.852 -14.276 1.00 0.00 H new ATOM 0 HG SER A 122 2.546 -4.058 -13.948 1.00 0.00 H new ATOM 1855 N SER A 123 4.059 1.010 -16.031 1.00 0.00 N ATOM 1856 CA SER A 123 4.117 2.463 -16.008 1.00 0.00 C ATOM 1857 C SER A 123 2.748 3.127 -15.847 1.00 0.00 C ATOM 1858 O SER A 123 1.713 2.622 -16.304 1.00 0.00 O ATOM 1859 CB SER A 123 4.802 2.956 -17.284 1.00 0.00 C ATOM 1860 OG SER A 123 6.145 2.513 -17.330 1.00 0.00 O ATOM 0 H SER A 123 4.523 0.613 -16.848 1.00 0.00 H new ATOM 0 HA SER A 123 4.692 2.750 -15.128 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.262 2.590 -18.158 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.771 4.045 -17.323 1.00 0.00 H new ATOM 0 HG SER A 123 6.568 2.836 -18.153 1.00 0.00 H new ATOM 1866 N GLY A 124 2.768 4.280 -15.182 1.00 0.00 N ATOM 1867 CA GLY A 124 1.600 4.970 -14.688 1.00 0.00 C ATOM 1868 C GLY A 124 0.972 5.826 -15.753 1.00 0.00 C ATOM 1869 O GLY A 124 1.485 6.936 -15.986 1.00 0.00 O ATOM 0 H GLY A 124 3.637 4.770 -14.969 1.00 0.00 H new ATOM 0 HA2 GLY A 124 0.872 4.243 -14.328 1.00 0.00 H new ATOM 0 HA3 GLY A 124 1.877 5.592 -13.837 1.00 0.00 H new TER 1873 GLY A 124