USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0677 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0376 X(o=-0.038,f=-0.023) USER MOD Single : A 6 HIS : no HD1:sc= 1.07 K(o=1.1,f=-6.6!) USER MOD Single : A 7 HIS : no HD1:sc= 0.0481 K(o=0.048,f=-4.6!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.29 K(o=-0.29,f=-1) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.119 K(o=-0.12,f=-0.67) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.391 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= 1.27 (180deg=0.814) USER MOD Single : A 92 LYS NZ :NH3+ 174:sc= 1.33 (180deg=1.21) USER MOD Single : A 93 SER OG : rot 3:sc= 0.053 USER MOD Single : A 101 MET CE :methyl -172:sc=-0.00988 (180deg=-0.134) USER MOD Single : A 102 SER OG : rot 180:sc= 0.104 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.561 K(o=-0.56,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.807 38.191 -1.942 1.00 0.00 N ATOM 2 CA MET A 1 -25.314 38.076 -1.884 1.00 0.00 C ATOM 3 C MET A 1 -24.664 39.446 -1.611 1.00 0.00 C ATOM 4 O MET A 1 -25.284 40.485 -1.847 1.00 0.00 O ATOM 5 CB MET A 1 -24.709 37.446 -3.167 1.00 0.00 C ATOM 6 CG MET A 1 -25.064 35.961 -3.355 1.00 0.00 C ATOM 7 SD MET A 1 -24.132 35.105 -4.663 1.00 0.00 S ATOM 8 CE MET A 1 -24.789 35.913 -6.150 1.00 0.00 C ATOM 0 H1 MET A 1 -27.223 37.745 -1.099 1.00 0.00 H new ATOM 0 H2 MET A 1 -27.077 39.195 -1.971 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.159 37.713 -2.796 1.00 0.00 H new ATOM 0 HA MET A 1 -25.092 37.402 -1.056 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.057 38.006 -4.035 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.624 37.550 -3.135 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.897 35.441 -2.412 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.128 35.883 -3.578 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.311 35.492 -7.034 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.865 35.750 -6.207 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.586 36.983 -6.103 1.00 0.00 H new ATOM 20 N ARG A 2 -23.409 39.461 -1.123 1.00 0.00 N ATOM 21 CA ARG A 2 -22.626 40.698 -0.888 1.00 0.00 C ATOM 22 C ARG A 2 -22.082 41.315 -2.191 1.00 0.00 C ATOM 23 O ARG A 2 -21.883 40.612 -3.184 1.00 0.00 O ATOM 24 CB ARG A 2 -21.529 40.469 0.178 1.00 0.00 C ATOM 25 CG ARG A 2 -20.401 39.502 -0.230 1.00 0.00 C ATOM 26 CD ARG A 2 -20.526 38.098 0.376 1.00 0.00 C ATOM 27 NE ARG A 2 -19.505 37.196 -0.194 1.00 0.00 N ATOM 28 CZ ARG A 2 -19.256 35.943 0.138 1.00 0.00 C ATOM 29 NH1 ARG A 2 -19.914 35.325 1.079 1.00 0.00 N ATOM 30 NH2 ARG A 2 -18.323 35.287 -0.490 1.00 0.00 N ATOM 0 H ARG A 2 -22.902 38.610 -0.878 1.00 0.00 H new ATOM 0 HA ARG A 2 -23.311 41.444 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -21.085 41.432 0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -22.001 40.088 1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -20.386 39.416 -1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -19.444 39.931 0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -20.409 38.151 1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -21.522 37.699 0.182 1.00 0.00 H new ATOM 0 HE ARG A 2 -18.922 37.589 -0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -20.652 35.811 1.589 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -19.691 34.356 1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -17.791 35.742 -1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -18.124 34.318 -0.240 1.00 0.00 H new ATOM 44 N GLY A 3 -21.820 42.625 -2.173 1.00 0.00 N ATOM 45 CA GLY A 3 -21.408 43.401 -3.355 1.00 0.00 C ATOM 46 C GLY A 3 -22.509 43.535 -4.421 1.00 0.00 C ATOM 47 O GLY A 3 -23.672 43.188 -4.184 1.00 0.00 O ATOM 0 H GLY A 3 -21.888 43.189 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -21.100 44.397 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -20.535 42.927 -3.804 1.00 0.00 H new ATOM 51 N SER A 4 -22.140 44.034 -5.605 1.00 0.00 N ATOM 52 CA SER A 4 -23.049 44.211 -6.755 1.00 0.00 C ATOM 53 C SER A 4 -22.889 43.108 -7.811 1.00 0.00 C ATOM 54 O SER A 4 -23.884 42.583 -8.315 1.00 0.00 O ATOM 55 CB SER A 4 -22.853 45.588 -7.403 1.00 0.00 C ATOM 56 OG SER A 4 -23.040 46.631 -6.450 1.00 0.00 O ATOM 0 H SER A 4 -21.185 44.333 -5.800 1.00 0.00 H new ATOM 0 HA SER A 4 -24.062 44.140 -6.359 1.00 0.00 H new ATOM 0 HB2 SER A 4 -21.852 45.655 -7.829 1.00 0.00 H new ATOM 0 HB3 SER A 4 -23.558 45.711 -8.225 1.00 0.00 H new ATOM 0 HG SER A 4 -22.908 47.499 -6.885 1.00 0.00 H new ATOM 62 N HIS A 5 -21.641 42.734 -8.137 1.00 0.00 N ATOM 63 CA HIS A 5 -21.298 41.684 -9.116 1.00 0.00 C ATOM 64 C HIS A 5 -19.970 40.970 -8.766 1.00 0.00 C ATOM 65 O HIS A 5 -19.266 40.449 -9.633 1.00 0.00 O ATOM 66 CB HIS A 5 -21.285 42.319 -10.523 1.00 0.00 C ATOM 67 CG HIS A 5 -21.361 41.334 -11.668 1.00 0.00 C ATOM 68 ND1 HIS A 5 -20.480 41.272 -12.755 1.00 0.00 N ATOM 69 CD2 HIS A 5 -22.346 40.402 -11.848 1.00 0.00 C ATOM 70 CE1 HIS A 5 -20.944 40.290 -13.551 1.00 0.00 C ATOM 71 NE2 HIS A 5 -22.062 39.754 -13.031 1.00 0.00 N ATOM 0 H HIS A 5 -20.818 43.165 -7.716 1.00 0.00 H new ATOM 0 HA HIS A 5 -22.052 40.897 -9.090 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -22.124 43.010 -10.601 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -20.375 42.909 -10.631 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -23.182 40.211 -11.192 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -20.483 39.977 -14.476 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -22.607 38.996 -13.442 1.00 0.00 H new ATOM 79 N HIS A 6 -19.586 40.998 -7.483 1.00 0.00 N ATOM 80 CA HIS A 6 -18.192 40.824 -7.034 1.00 0.00 C ATOM 81 C HIS A 6 -17.845 39.426 -6.491 1.00 0.00 C ATOM 82 O HIS A 6 -16.670 39.148 -6.240 1.00 0.00 O ATOM 83 CB HIS A 6 -17.879 41.925 -6.006 1.00 0.00 C ATOM 84 CG HIS A 6 -18.058 43.323 -6.549 1.00 0.00 C ATOM 85 ND1 HIS A 6 -19.241 44.072 -6.500 1.00 0.00 N ATOM 86 CD2 HIS A 6 -17.095 44.056 -7.175 1.00 0.00 C ATOM 87 CE1 HIS A 6 -18.947 45.249 -7.086 1.00 0.00 C ATOM 88 NE2 HIS A 6 -17.671 45.262 -7.504 1.00 0.00 N ATOM 0 H HIS A 6 -20.241 41.144 -6.715 1.00 0.00 H new ATOM 0 HA HIS A 6 -17.557 40.916 -7.915 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -18.525 41.795 -5.138 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -16.852 41.807 -5.660 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -16.078 43.750 -7.374 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -19.641 46.068 -7.203 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -17.208 46.034 -7.984 1.00 0.00 H new ATOM 96 N HIS A 7 -18.840 38.546 -6.310 1.00 0.00 N ATOM 97 CA HIS A 7 -18.680 37.193 -5.743 1.00 0.00 C ATOM 98 C HIS A 7 -19.358 36.118 -6.607 1.00 0.00 C ATOM 99 O HIS A 7 -20.447 36.331 -7.147 1.00 0.00 O ATOM 100 CB HIS A 7 -19.207 37.162 -4.298 1.00 0.00 C ATOM 101 CG HIS A 7 -18.345 37.940 -3.332 1.00 0.00 C ATOM 102 ND1 HIS A 7 -17.371 37.388 -2.492 1.00 0.00 N ATOM 103 CD2 HIS A 7 -18.371 39.291 -3.145 1.00 0.00 C ATOM 104 CE1 HIS A 7 -16.799 38.428 -1.857 1.00 0.00 C ATOM 105 NE2 HIS A 7 -17.393 39.579 -2.217 1.00 0.00 N ATOM 0 H HIS A 7 -19.806 38.758 -6.560 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.616 36.958 -5.734 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -20.219 37.567 -4.279 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -19.272 36.126 -3.964 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.029 39.997 -3.629 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -15.980 38.349 -1.158 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -17.160 40.507 -1.864 1.00 0.00 H new ATOM 113 N HIS A 8 -18.706 34.956 -6.724 1.00 0.00 N ATOM 114 CA HIS A 8 -19.115 33.816 -7.564 1.00 0.00 C ATOM 115 C HIS A 8 -18.519 32.486 -7.058 1.00 0.00 C ATOM 116 O HIS A 8 -17.603 32.476 -6.232 1.00 0.00 O ATOM 117 CB HIS A 8 -18.676 34.080 -9.020 1.00 0.00 C ATOM 118 CG HIS A 8 -17.176 34.166 -9.216 1.00 0.00 C ATOM 119 ND1 HIS A 8 -16.390 35.305 -9.015 1.00 0.00 N ATOM 120 CD2 HIS A 8 -16.370 33.139 -9.615 1.00 0.00 C ATOM 121 CE1 HIS A 8 -15.127 34.936 -9.296 1.00 0.00 C ATOM 122 NE2 HIS A 8 -15.087 33.642 -9.657 1.00 0.00 N ATOM 0 H HIS A 8 -17.841 34.773 -6.215 1.00 0.00 H new ATOM 0 HA HIS A 8 -20.200 33.722 -7.512 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -19.068 33.285 -9.655 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -19.129 35.012 -9.360 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -16.677 32.131 -9.851 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -14.267 35.587 -9.239 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -14.250 33.121 -9.918 1.00 0.00 H new ATOM 130 N HIS A 9 -19.022 31.359 -7.578 1.00 0.00 N ATOM 131 CA HIS A 9 -18.508 30.001 -7.319 1.00 0.00 C ATOM 132 C HIS A 9 -18.650 29.084 -8.551 1.00 0.00 C ATOM 133 O HIS A 9 -19.528 29.290 -9.393 1.00 0.00 O ATOM 134 CB HIS A 9 -19.204 29.398 -6.085 1.00 0.00 C ATOM 135 CG HIS A 9 -20.701 29.231 -6.224 1.00 0.00 C ATOM 136 ND1 HIS A 9 -21.356 28.071 -6.652 1.00 0.00 N ATOM 137 CD2 HIS A 9 -21.634 30.185 -5.936 1.00 0.00 C ATOM 138 CE1 HIS A 9 -22.670 28.360 -6.621 1.00 0.00 C ATOM 139 NE2 HIS A 9 -22.865 29.619 -6.194 1.00 0.00 N ATOM 0 H HIS A 9 -19.822 31.363 -8.210 1.00 0.00 H new ATOM 0 HA HIS A 9 -17.441 30.079 -7.112 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.761 28.425 -5.874 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.001 30.034 -5.223 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.445 31.186 -5.577 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.458 27.676 -6.900 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.769 30.078 -6.080 1.00 0.00 H new ATOM 147 N HIS A 10 -17.757 28.092 -8.676 1.00 0.00 N ATOM 148 CA HIS A 10 -17.691 27.147 -9.807 1.00 0.00 C ATOM 149 C HIS A 10 -16.950 25.839 -9.437 1.00 0.00 C ATOM 150 O HIS A 10 -16.460 25.693 -8.313 1.00 0.00 O ATOM 151 CB HIS A 10 -17.004 27.857 -10.996 1.00 0.00 C ATOM 152 CG HIS A 10 -17.374 27.278 -12.342 1.00 0.00 C ATOM 153 ND1 HIS A 10 -16.597 26.391 -13.095 1.00 0.00 N ATOM 154 CD2 HIS A 10 -18.543 27.512 -13.004 1.00 0.00 C ATOM 155 CE1 HIS A 10 -17.315 26.119 -14.199 1.00 0.00 C ATOM 156 NE2 HIS A 10 -18.487 26.776 -14.169 1.00 0.00 N ATOM 0 H HIS A 10 -17.038 27.917 -7.974 1.00 0.00 H new ATOM 0 HA HIS A 10 -18.704 26.853 -10.080 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -17.269 28.914 -10.979 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -15.923 27.797 -10.869 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -19.353 28.148 -12.680 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -16.995 25.465 -14.997 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -19.212 26.737 -14.886 1.00 0.00 H new ATOM 164 N GLY A 11 -16.833 24.903 -10.386 1.00 0.00 N ATOM 165 CA GLY A 11 -16.009 23.688 -10.293 1.00 0.00 C ATOM 166 C GLY A 11 -16.687 22.460 -9.661 1.00 0.00 C ATOM 167 O GLY A 11 -17.726 22.558 -9.003 1.00 0.00 O ATOM 0 H GLY A 11 -17.328 24.972 -11.275 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -15.678 23.419 -11.296 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -15.115 23.922 -9.715 1.00 0.00 H new ATOM 171 N SER A 12 -16.083 21.284 -9.884 1.00 0.00 N ATOM 172 CA SER A 12 -16.512 19.975 -9.355 1.00 0.00 C ATOM 173 C SER A 12 -15.334 18.991 -9.243 1.00 0.00 C ATOM 174 O SER A 12 -14.377 19.068 -10.019 1.00 0.00 O ATOM 175 CB SER A 12 -17.601 19.382 -10.260 1.00 0.00 C ATOM 176 OG SER A 12 -18.079 18.152 -9.729 1.00 0.00 O ATOM 0 H SER A 12 -15.246 21.213 -10.462 1.00 0.00 H new ATOM 0 HA SER A 12 -16.909 20.134 -8.352 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.426 20.088 -10.356 1.00 0.00 H new ATOM 0 HB3 SER A 12 -17.201 19.221 -11.261 1.00 0.00 H new ATOM 0 HG SER A 12 -18.774 17.789 -10.318 1.00 0.00 H new ATOM 182 N GLY A 58 -15.406 18.060 -8.283 1.00 0.00 N ATOM 183 CA GLY A 58 -14.411 17.002 -8.027 1.00 0.00 C ATOM 184 C GLY A 58 -14.969 15.570 -8.073 1.00 0.00 C ATOM 185 O GLY A 58 -14.309 14.639 -7.609 1.00 0.00 O ATOM 0 H GLY A 58 -16.192 18.019 -7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.611 17.089 -8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.964 17.172 -7.047 1.00 0.00 H new ATOM 189 N ALA A 59 -16.180 15.377 -8.610 1.00 0.00 N ATOM 190 CA ALA A 59 -16.977 14.148 -8.467 1.00 0.00 C ATOM 191 C ALA A 59 -16.447 12.901 -9.221 1.00 0.00 C ATOM 192 O ALA A 59 -16.997 11.810 -9.061 1.00 0.00 O ATOM 193 CB ALA A 59 -18.416 14.485 -8.879 1.00 0.00 C ATOM 0 H ALA A 59 -16.647 16.089 -9.171 1.00 0.00 H new ATOM 0 HA ALA A 59 -16.910 13.841 -7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -19.039 13.595 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -18.806 15.270 -8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -18.427 14.829 -9.913 1.00 0.00 H new ATOM 199 N LEU A 60 -15.385 13.032 -10.028 1.00 0.00 N ATOM 200 CA LEU A 60 -14.767 11.941 -10.781 1.00 0.00 C ATOM 201 C LEU A 60 -14.034 10.930 -9.864 1.00 0.00 C ATOM 202 O LEU A 60 -13.987 9.739 -10.178 1.00 0.00 O ATOM 203 CB LEU A 60 -13.847 12.615 -11.819 1.00 0.00 C ATOM 204 CG LEU A 60 -12.945 11.661 -12.609 1.00 0.00 C ATOM 205 CD1 LEU A 60 -13.731 10.667 -13.466 1.00 0.00 C ATOM 206 CD2 LEU A 60 -12.017 12.454 -13.529 1.00 0.00 C ATOM 0 H LEU A 60 -14.921 13.928 -10.177 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.515 11.328 -11.283 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.466 13.170 -12.523 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.218 13.342 -11.305 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.377 11.098 -11.868 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.037 10.019 -14.001 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.372 10.061 -12.825 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.345 11.211 -14.183 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.381 11.766 -14.085 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.613 13.042 -14.227 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.395 13.121 -12.932 1.00 0.00 H new ATOM 218 N ALA A 61 -13.485 11.378 -8.729 1.00 0.00 N ATOM 219 CA ALA A 61 -12.802 10.515 -7.759 1.00 0.00 C ATOM 220 C ALA A 61 -13.760 9.899 -6.723 1.00 0.00 C ATOM 221 O ALA A 61 -14.726 10.539 -6.300 1.00 0.00 O ATOM 222 CB ALA A 61 -11.707 11.317 -7.056 1.00 0.00 C ATOM 0 H ALA A 61 -13.503 12.360 -8.455 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.368 9.681 -8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.196 10.680 -6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.990 11.677 -7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.153 12.166 -6.539 1.00 0.00 H new ATOM 228 N ALA A 62 -13.443 8.684 -6.262 1.00 0.00 N ATOM 229 CA ALA A 62 -14.173 7.963 -5.220 1.00 0.00 C ATOM 230 C ALA A 62 -13.416 7.817 -3.888 1.00 0.00 C ATOM 231 O ALA A 62 -12.186 7.807 -3.840 1.00 0.00 O ATOM 232 CB ALA A 62 -14.640 6.609 -5.772 1.00 0.00 C ATOM 0 H ALA A 62 -12.644 8.160 -6.618 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.038 8.573 -4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.185 6.069 -4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.293 6.771 -6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.774 6.024 -6.082 1.00 0.00 H new ATOM 238 N LEU A 63 -14.180 7.686 -2.796 1.00 0.00 N ATOM 239 CA LEU A 63 -13.690 7.586 -1.418 1.00 0.00 C ATOM 240 C LEU A 63 -14.289 6.374 -0.685 1.00 0.00 C ATOM 241 O LEU A 63 -15.440 5.998 -0.916 1.00 0.00 O ATOM 242 CB LEU A 63 -14.041 8.872 -0.643 1.00 0.00 C ATOM 243 CG LEU A 63 -13.397 10.170 -1.157 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.921 11.360 -0.351 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.877 10.142 -1.012 1.00 0.00 C ATOM 0 H LEU A 63 -15.198 7.645 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.609 7.456 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.124 8.997 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.751 8.734 0.399 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.655 10.263 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.462 12.278 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -15.003 11.426 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.671 11.225 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.459 11.076 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.614 10.021 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.472 9.308 -1.585 1.00 0.00 H new ATOM 257 N HIS A 64 -13.529 5.819 0.261 1.00 0.00 N ATOM 258 CA HIS A 64 -14.051 4.913 1.290 1.00 0.00 C ATOM 259 C HIS A 64 -14.933 5.694 2.276 1.00 0.00 C ATOM 260 O HIS A 64 -14.511 6.726 2.801 1.00 0.00 O ATOM 261 CB HIS A 64 -12.878 4.256 2.028 1.00 0.00 C ATOM 262 CG HIS A 64 -12.115 3.237 1.219 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.580 1.965 0.881 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.839 3.385 0.757 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.568 1.371 0.225 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.509 2.197 0.139 1.00 0.00 N ATOM 0 H HIS A 64 -12.526 5.986 0.336 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.658 4.138 0.822 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.187 5.035 2.350 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.258 3.774 2.929 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.212 4.259 0.856 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.600 0.369 -0.177 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.617 1.982 -0.306 1.00 0.00 H new ATOM 274 N ALA A 65 -16.149 5.207 2.544 1.00 0.00 N ATOM 275 CA ALA A 65 -17.143 5.917 3.362 1.00 0.00 C ATOM 276 C ALA A 65 -17.143 5.522 4.855 1.00 0.00 C ATOM 277 O ALA A 65 -17.693 6.248 5.685 1.00 0.00 O ATOM 278 CB ALA A 65 -18.517 5.690 2.718 1.00 0.00 C ATOM 0 H ALA A 65 -16.475 4.304 2.199 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.881 6.975 3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.281 6.204 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.511 6.082 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.736 4.622 2.694 1.00 0.00 H new ATOM 284 N GLU A 66 -16.546 4.377 5.208 1.00 0.00 N ATOM 285 CA GLU A 66 -16.575 3.792 6.560 1.00 0.00 C ATOM 286 C GLU A 66 -15.310 2.969 6.887 1.00 0.00 C ATOM 287 O GLU A 66 -14.513 2.643 6.001 1.00 0.00 O ATOM 288 CB GLU A 66 -17.855 2.954 6.737 1.00 0.00 C ATOM 289 CG GLU A 66 -17.935 1.736 5.808 1.00 0.00 C ATOM 290 CD GLU A 66 -19.244 0.956 6.040 1.00 0.00 C ATOM 291 OE1 GLU A 66 -19.273 0.056 6.917 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.255 1.230 5.348 1.00 0.00 O ATOM 0 H GLU A 66 -16.014 3.814 4.545 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.584 4.615 7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.915 2.614 7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.722 3.591 6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.879 2.061 4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.081 1.082 5.984 1.00 0.00 H new ATOM 299 N GLY A 67 -15.129 2.625 8.169 1.00 0.00 N ATOM 300 CA GLY A 67 -14.002 1.814 8.652 1.00 0.00 C ATOM 301 C GLY A 67 -12.652 2.560 8.696 1.00 0.00 C ATOM 302 O GLY A 67 -12.620 3.789 8.577 1.00 0.00 O ATOM 0 H GLY A 67 -15.770 2.906 8.911 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.235 1.450 9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.899 0.939 8.010 1.00 0.00 H new ATOM 306 N PRO A 68 -11.518 1.839 8.845 1.00 0.00 N ATOM 307 CA PRO A 68 -10.181 2.433 9.012 1.00 0.00 C ATOM 308 C PRO A 68 -9.764 3.399 7.890 1.00 0.00 C ATOM 309 O PRO A 68 -8.977 4.319 8.118 1.00 0.00 O ATOM 310 CB PRO A 68 -9.205 1.249 9.057 1.00 0.00 C ATOM 311 CG PRO A 68 -9.994 0.055 8.523 1.00 0.00 C ATOM 312 CD PRO A 68 -11.429 0.386 8.912 1.00 0.00 C ATOM 0 HA PRO A 68 -10.180 3.041 9.917 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.323 1.443 8.446 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.855 1.066 10.073 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.883 -0.051 7.444 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.661 -0.881 8.971 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.140 -0.084 8.232 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.659 0.023 9.914 1.00 0.00 H new ATOM 320 N LEU A 69 -10.289 3.183 6.680 1.00 0.00 N ATOM 321 CA LEU A 69 -9.964 3.947 5.474 1.00 0.00 C ATOM 322 C LEU A 69 -10.954 5.095 5.189 1.00 0.00 C ATOM 323 O LEU A 69 -10.817 5.773 4.171 1.00 0.00 O ATOM 324 CB LEU A 69 -9.850 2.959 4.302 1.00 0.00 C ATOM 325 CG LEU A 69 -8.787 1.850 4.455 1.00 0.00 C ATOM 326 CD1 LEU A 69 -8.787 0.971 3.209 1.00 0.00 C ATOM 327 CD2 LEU A 69 -7.384 2.410 4.680 1.00 0.00 C ATOM 0 H LEU A 69 -10.974 2.447 6.509 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.011 4.454 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.821 2.487 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.630 3.524 3.396 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.051 1.267 5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.037 0.188 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.770 0.517 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.554 1.579 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.676 1.588 4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.100 3.031 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.374 3.011 5.589 1.00 0.00 H new ATOM 339 N ALA A 70 -11.943 5.334 6.059 1.00 0.00 N ATOM 340 CA ALA A 70 -12.942 6.391 5.874 1.00 0.00 C ATOM 341 C ALA A 70 -12.299 7.755 5.530 1.00 0.00 C ATOM 342 O ALA A 70 -11.427 8.249 6.254 1.00 0.00 O ATOM 343 CB ALA A 70 -13.810 6.499 7.133 1.00 0.00 C ATOM 0 H ALA A 70 -12.072 4.796 6.916 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.566 6.119 5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.553 7.285 6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.315 5.549 7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.180 6.740 7.989 1.00 0.00 H new ATOM 349 N GLY A 71 -12.737 8.360 4.422 1.00 0.00 N ATOM 350 CA GLY A 71 -12.212 9.630 3.902 1.00 0.00 C ATOM 351 C GLY A 71 -11.078 9.522 2.881 1.00 0.00 C ATOM 352 O GLY A 71 -10.640 10.556 2.373 1.00 0.00 O ATOM 0 H GLY A 71 -13.485 7.972 3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.035 10.179 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.860 10.226 4.744 1.00 0.00 H new ATOM 356 N LEU A 72 -10.593 8.314 2.576 1.00 0.00 N ATOM 357 CA LEU A 72 -9.422 8.093 1.716 1.00 0.00 C ATOM 358 C LEU A 72 -9.810 7.560 0.313 1.00 0.00 C ATOM 359 O LEU A 72 -10.865 6.933 0.185 1.00 0.00 O ATOM 360 CB LEU A 72 -8.464 7.147 2.465 1.00 0.00 C ATOM 361 CG LEU A 72 -8.044 7.562 3.891 1.00 0.00 C ATOM 362 CD1 LEU A 72 -6.970 6.596 4.393 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.493 8.989 3.970 1.00 0.00 C ATOM 0 H LEU A 72 -11.007 7.449 2.924 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.922 9.042 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.933 6.165 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.561 7.034 1.865 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.941 7.527 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.666 6.881 5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.371 5.582 4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.106 6.635 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.217 9.216 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.614 9.075 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.255 9.692 3.635 1.00 0.00 H new ATOM 375 N PRO A 73 -8.985 7.766 -0.742 1.00 0.00 N ATOM 376 CA PRO A 73 -9.214 7.225 -2.094 1.00 0.00 C ATOM 377 C PRO A 73 -9.404 5.708 -2.095 1.00 0.00 C ATOM 378 O PRO A 73 -8.718 4.989 -1.369 1.00 0.00 O ATOM 379 CB PRO A 73 -7.969 7.602 -2.911 1.00 0.00 C ATOM 380 CG PRO A 73 -6.890 7.766 -1.844 1.00 0.00 C ATOM 381 CD PRO A 73 -7.676 8.410 -0.709 1.00 0.00 C ATOM 0 HA PRO A 73 -10.131 7.639 -2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.709 6.826 -3.631 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.121 8.522 -3.475 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.455 6.810 -1.551 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.070 8.398 -2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.183 8.253 0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.763 9.487 -0.851 1.00 0.00 H new ATOM 389 N VAL A 74 -10.282 5.206 -2.965 1.00 0.00 N ATOM 390 CA VAL A 74 -10.405 3.758 -3.196 1.00 0.00 C ATOM 391 C VAL A 74 -9.274 3.253 -4.103 1.00 0.00 C ATOM 392 O VAL A 74 -8.796 2.133 -3.912 1.00 0.00 O ATOM 393 CB VAL A 74 -11.807 3.381 -3.722 1.00 0.00 C ATOM 394 CG1 VAL A 74 -11.990 1.864 -3.830 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.907 3.892 -2.780 1.00 0.00 C ATOM 0 H VAL A 74 -10.919 5.776 -3.522 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.297 3.250 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.887 3.842 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.990 1.644 -4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.248 1.456 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.862 1.411 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.883 3.612 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.775 3.450 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.844 4.977 -2.703 1.00 0.00 H new ATOM 405 N THR A 75 -8.794 4.081 -5.043 1.00 0.00 N ATOM 406 CA THR A 75 -7.782 3.705 -6.052 1.00 0.00 C ATOM 407 C THR A 75 -6.684 4.759 -6.236 1.00 0.00 C ATOM 408 O THR A 75 -6.836 5.920 -5.858 1.00 0.00 O ATOM 409 CB THR A 75 -8.441 3.407 -7.418 1.00 0.00 C ATOM 410 OG1 THR A 75 -8.663 4.610 -8.126 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.780 2.674 -7.310 1.00 0.00 C ATOM 0 H THR A 75 -9.102 5.050 -5.128 1.00 0.00 H new ATOM 0 HA THR A 75 -7.307 2.803 -5.666 1.00 0.00 H new ATOM 0 HB THR A 75 -7.742 2.755 -7.941 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.079 4.409 -8.990 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.181 2.500 -8.308 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.632 1.718 -6.807 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.482 3.281 -6.738 1.00 0.00 H new ATOM 419 N ARG A 76 -5.576 4.373 -6.892 1.00 0.00 N ATOM 420 CA ARG A 76 -4.508 5.308 -7.318 1.00 0.00 C ATOM 421 C ARG A 76 -5.021 6.411 -8.255 1.00 0.00 C ATOM 422 O ARG A 76 -4.560 7.545 -8.166 1.00 0.00 O ATOM 423 CB ARG A 76 -3.316 4.525 -7.917 1.00 0.00 C ATOM 424 CG ARG A 76 -3.664 3.669 -9.154 1.00 0.00 C ATOM 425 CD ARG A 76 -2.474 2.829 -9.639 1.00 0.00 C ATOM 426 NE ARG A 76 -1.467 3.638 -10.355 1.00 0.00 N ATOM 427 CZ ARG A 76 -1.393 3.886 -11.649 1.00 0.00 C ATOM 428 NH1 ARG A 76 -2.306 3.515 -12.500 1.00 0.00 N ATOM 429 NH2 ARG A 76 -0.366 4.543 -12.091 1.00 0.00 N ATOM 0 H ARG A 76 -5.391 3.402 -7.145 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.153 5.832 -6.430 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.534 5.233 -8.190 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.902 3.875 -7.147 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.497 3.009 -8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.998 4.321 -9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.004 2.343 -8.784 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.835 2.038 -10.297 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.738 4.057 -9.778 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.129 3.006 -12.176 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.199 3.733 -13.491 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.358 4.854 -11.443 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.282 4.749 -13.086 1.00 0.00 H new ATOM 443 N SER A 77 -6.030 6.114 -9.074 1.00 0.00 N ATOM 444 CA SER A 77 -6.695 7.094 -9.947 1.00 0.00 C ATOM 445 C SER A 77 -7.550 8.078 -9.145 1.00 0.00 C ATOM 446 O SER A 77 -7.479 9.282 -9.394 1.00 0.00 O ATOM 447 CB SER A 77 -7.543 6.382 -11.008 1.00 0.00 C ATOM 448 OG SER A 77 -6.739 5.468 -11.741 1.00 0.00 O ATOM 0 H SER A 77 -6.417 5.174 -9.154 1.00 0.00 H new ATOM 0 HA SER A 77 -5.917 7.669 -10.449 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.367 5.852 -10.531 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.984 7.114 -11.684 1.00 0.00 H new ATOM 0 HG SER A 77 -7.289 5.017 -12.415 1.00 0.00 H new ATOM 454 N ASP A 78 -8.277 7.614 -8.119 1.00 0.00 N ATOM 455 CA ASP A 78 -8.988 8.520 -7.205 1.00 0.00 C ATOM 456 C ASP A 78 -8.000 9.427 -6.472 1.00 0.00 C ATOM 457 O ASP A 78 -8.218 10.630 -6.408 1.00 0.00 O ATOM 458 CB ASP A 78 -9.830 7.775 -6.162 1.00 0.00 C ATOM 459 CG ASP A 78 -10.855 6.809 -6.752 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.529 7.172 -7.748 1.00 0.00 O ATOM 461 OD2 ASP A 78 -11.037 5.734 -6.141 1.00 0.00 O ATOM 0 H ASP A 78 -8.388 6.624 -7.902 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.661 9.109 -7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.162 7.219 -5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.351 8.506 -5.544 1.00 0.00 H new ATOM 466 N ALA A 79 -6.880 8.883 -5.980 1.00 0.00 N ATOM 467 CA ALA A 79 -5.840 9.656 -5.302 1.00 0.00 C ATOM 468 C ALA A 79 -5.247 10.747 -6.212 1.00 0.00 C ATOM 469 O ALA A 79 -5.200 11.915 -5.825 1.00 0.00 O ATOM 470 CB ALA A 79 -4.770 8.677 -4.799 1.00 0.00 C ATOM 0 H ALA A 79 -6.672 7.887 -6.043 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.272 10.189 -4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.982 9.230 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.223 7.968 -4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.345 8.137 -5.645 1.00 0.00 H new ATOM 476 N ARG A 80 -4.876 10.397 -7.452 1.00 0.00 N ATOM 477 CA ARG A 80 -4.379 11.334 -8.481 1.00 0.00 C ATOM 478 C ARG A 80 -5.376 12.461 -8.757 1.00 0.00 C ATOM 479 O ARG A 80 -4.993 13.628 -8.758 1.00 0.00 O ATOM 480 CB ARG A 80 -4.055 10.517 -9.747 1.00 0.00 C ATOM 481 CG ARG A 80 -3.231 11.315 -10.771 1.00 0.00 C ATOM 482 CD ARG A 80 -2.964 10.525 -12.061 1.00 0.00 C ATOM 483 NE ARG A 80 -2.355 9.202 -11.802 1.00 0.00 N ATOM 484 CZ ARG A 80 -1.106 8.930 -11.463 1.00 0.00 C ATOM 485 NH1 ARG A 80 -0.197 9.850 -11.340 1.00 0.00 N ATOM 486 NH2 ARG A 80 -0.745 7.706 -11.226 1.00 0.00 N ATOM 0 H ARG A 80 -4.913 9.432 -7.779 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.476 11.830 -8.126 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.506 9.619 -9.465 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.985 10.189 -10.211 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.758 12.237 -11.017 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.280 11.602 -10.322 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -3.901 10.390 -12.601 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.305 11.104 -12.707 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.976 8.399 -11.897 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.435 10.828 -11.507 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.755 9.595 -11.076 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.426 6.950 -11.301 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.219 7.500 -10.965 1.00 0.00 H new ATOM 500 N VAL A 81 -6.659 12.133 -8.920 1.00 0.00 N ATOM 501 CA VAL A 81 -7.721 13.119 -9.188 1.00 0.00 C ATOM 502 C VAL A 81 -8.070 13.946 -7.940 1.00 0.00 C ATOM 503 O VAL A 81 -8.319 15.140 -8.082 1.00 0.00 O ATOM 504 CB VAL A 81 -8.955 12.426 -9.805 1.00 0.00 C ATOM 505 CG1 VAL A 81 -10.161 13.363 -9.966 1.00 0.00 C ATOM 506 CG2 VAL A 81 -8.628 11.890 -11.205 1.00 0.00 C ATOM 0 H VAL A 81 -6.998 11.172 -8.871 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.344 13.834 -9.920 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.211 11.627 -9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.993 12.813 -10.405 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.455 13.748 -8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.892 14.194 -10.618 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.510 11.405 -11.624 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.327 12.716 -11.850 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.814 11.168 -11.137 1.00 0.00 H new ATOM 516 N LEU A 82 -8.018 13.394 -6.723 1.00 0.00 N ATOM 517 CA LEU A 82 -8.195 14.169 -5.484 1.00 0.00 C ATOM 518 C LEU A 82 -7.062 15.191 -5.294 1.00 0.00 C ATOM 519 O LEU A 82 -7.338 16.359 -5.024 1.00 0.00 O ATOM 520 CB LEU A 82 -8.288 13.212 -4.282 1.00 0.00 C ATOM 521 CG LEU A 82 -9.623 12.443 -4.214 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.465 11.216 -3.327 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.769 13.296 -3.672 1.00 0.00 C ATOM 0 H LEU A 82 -7.853 12.400 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.125 14.733 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.467 12.497 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.158 13.782 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.874 12.156 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.411 10.676 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.694 10.565 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.177 11.527 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.683 12.703 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.527 13.633 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.916 14.161 -4.318 1.00 0.00 H new ATOM 535 N ILE A 83 -5.803 14.788 -5.514 1.00 0.00 N ATOM 536 CA ILE A 83 -4.645 15.702 -5.480 1.00 0.00 C ATOM 537 C ILE A 83 -4.780 16.776 -6.571 1.00 0.00 C ATOM 538 O ILE A 83 -4.552 17.957 -6.301 1.00 0.00 O ATOM 539 CB ILE A 83 -3.315 14.921 -5.617 1.00 0.00 C ATOM 540 CG1 ILE A 83 -3.100 13.957 -4.423 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.124 15.898 -5.708 1.00 0.00 C ATOM 542 CD1 ILE A 83 -2.159 12.793 -4.763 1.00 0.00 C ATOM 0 H ILE A 83 -5.555 13.820 -5.721 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.629 16.203 -4.512 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.374 14.332 -6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.692 14.515 -3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.063 13.559 -4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.197 15.333 -5.804 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.248 16.543 -6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.085 16.509 -4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.045 12.150 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.578 12.215 -5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.185 13.186 -5.054 1.00 0.00 H new ATOM 554 N PHE A 84 -5.201 16.392 -7.782 1.00 0.00 N ATOM 555 CA PHE A 84 -5.438 17.335 -8.875 1.00 0.00 C ATOM 556 C PHE A 84 -6.524 18.364 -8.533 1.00 0.00 C ATOM 557 O PHE A 84 -6.283 19.562 -8.640 1.00 0.00 O ATOM 558 CB PHE A 84 -5.823 16.584 -10.159 1.00 0.00 C ATOM 559 CG PHE A 84 -6.106 17.491 -11.349 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.270 18.591 -11.629 1.00 0.00 C ATOM 561 CD2 PHE A 84 -7.228 17.255 -12.168 1.00 0.00 C ATOM 562 CE1 PHE A 84 -5.522 19.417 -12.733 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.485 18.087 -13.274 1.00 0.00 C ATOM 564 CZ PHE A 84 -6.625 19.163 -13.562 1.00 0.00 C ATOM 0 H PHE A 84 -5.386 15.420 -8.029 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.506 17.877 -9.032 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.017 15.899 -10.422 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.706 15.976 -9.961 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.427 18.799 -10.987 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -7.893 16.433 -11.947 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.867 20.249 -12.946 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.343 17.899 -13.902 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.814 19.792 -14.419 1.00 0.00 H new ATOM 574 N ASN A 85 -7.701 17.913 -8.092 1.00 0.00 N ATOM 575 CA ASN A 85 -8.823 18.788 -7.761 1.00 0.00 C ATOM 576 C ASN A 85 -8.486 19.727 -6.586 1.00 0.00 C ATOM 577 O ASN A 85 -8.822 20.911 -6.634 1.00 0.00 O ATOM 578 CB ASN A 85 -10.054 17.918 -7.460 1.00 0.00 C ATOM 579 CG ASN A 85 -11.239 18.755 -7.009 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.570 18.823 -5.836 1.00 0.00 O ATOM 581 ND2 ASN A 85 -11.908 19.429 -7.920 1.00 0.00 N ATOM 0 H ASN A 85 -7.901 16.922 -7.954 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.039 19.434 -8.612 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.326 17.353 -8.351 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.806 17.192 -6.686 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.702 20.007 -7.646 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.632 19.373 -8.900 1.00 0.00 H new ATOM 588 N GLU A 86 -7.775 19.226 -5.569 1.00 0.00 N ATOM 589 CA GLU A 86 -7.265 20.046 -4.468 1.00 0.00 C ATOM 590 C GLU A 86 -6.320 21.137 -4.987 1.00 0.00 C ATOM 591 O GLU A 86 -6.571 22.315 -4.727 1.00 0.00 O ATOM 592 CB GLU A 86 -6.591 19.158 -3.411 1.00 0.00 C ATOM 593 CG GLU A 86 -6.117 19.966 -2.199 1.00 0.00 C ATOM 594 CD GLU A 86 -5.558 19.033 -1.106 1.00 0.00 C ATOM 595 OE1 GLU A 86 -4.353 18.687 -1.157 1.00 0.00 O ATOM 596 OE2 GLU A 86 -6.318 18.650 -0.182 1.00 0.00 O ATOM 0 H GLU A 86 -7.537 18.237 -5.488 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.104 20.553 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.291 18.390 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.741 18.644 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.348 20.675 -2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.946 20.549 -1.797 1.00 0.00 H new ATOM 603 N TRP A 87 -5.289 20.790 -5.773 1.00 0.00 N ATOM 604 CA TRP A 87 -4.430 21.778 -6.416 1.00 0.00 C ATOM 605 C TRP A 87 -5.214 22.785 -7.269 1.00 0.00 C ATOM 606 O TRP A 87 -4.920 23.972 -7.198 1.00 0.00 O ATOM 607 CB TRP A 87 -3.375 21.070 -7.271 1.00 0.00 C ATOM 608 CG TRP A 87 -2.566 22.021 -8.093 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.500 22.722 -7.653 1.00 0.00 C ATOM 610 CD2 TRP A 87 -2.814 22.482 -9.460 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.068 23.580 -8.643 1.00 0.00 N ATOM 612 CE2 TRP A 87 -1.839 23.472 -9.779 1.00 0.00 C ATOM 613 CE3 TRP A 87 -3.778 22.182 -10.448 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -1.805 24.124 -11.019 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -3.755 22.831 -11.700 1.00 0.00 C ATOM 616 CH2 TRP A 87 -2.766 23.791 -11.988 1.00 0.00 C ATOM 0 H TRP A 87 -5.034 19.823 -5.975 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.946 22.348 -5.623 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.710 20.500 -6.622 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.867 20.355 -7.930 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.053 22.626 -6.675 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.276 24.215 -8.546 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.542 21.447 -10.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.052 24.870 -11.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -4.501 22.590 -12.443 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -2.746 24.272 -12.955 1.00 0.00 H new ATOM 627 N GLU A 88 -6.220 22.360 -8.035 1.00 0.00 N ATOM 628 CA GLU A 88 -6.993 23.247 -8.916 1.00 0.00 C ATOM 629 C GLU A 88 -7.800 24.289 -8.117 1.00 0.00 C ATOM 630 O GLU A 88 -7.744 25.481 -8.421 1.00 0.00 O ATOM 631 CB GLU A 88 -7.895 22.405 -9.841 1.00 0.00 C ATOM 632 CG GLU A 88 -7.915 22.894 -11.294 1.00 0.00 C ATOM 633 CD GLU A 88 -8.643 24.235 -11.484 1.00 0.00 C ATOM 634 OE1 GLU A 88 -9.878 24.300 -11.270 1.00 0.00 O ATOM 635 OE2 GLU A 88 -7.994 25.218 -11.912 1.00 0.00 O ATOM 0 H GLU A 88 -6.525 21.387 -8.064 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.297 23.813 -9.535 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.556 21.369 -9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.912 22.415 -9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.889 22.994 -11.649 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.395 22.139 -11.916 1.00 0.00 H new ATOM 642 N GLU A 89 -8.481 23.877 -7.041 1.00 0.00 N ATOM 643 CA GLU A 89 -9.217 24.785 -6.148 1.00 0.00 C ATOM 644 C GLU A 89 -8.281 25.744 -5.387 1.00 0.00 C ATOM 645 O GLU A 89 -8.530 26.955 -5.330 1.00 0.00 O ATOM 646 CB GLU A 89 -10.062 23.971 -5.153 1.00 0.00 C ATOM 647 CG GLU A 89 -11.277 23.291 -5.800 1.00 0.00 C ATOM 648 CD GLU A 89 -12.325 24.327 -6.254 1.00 0.00 C ATOM 649 OE1 GLU A 89 -13.085 24.836 -5.394 1.00 0.00 O ATOM 650 OE2 GLU A 89 -12.398 24.637 -7.469 1.00 0.00 O ATOM 0 H GLU A 89 -8.538 22.898 -6.762 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.869 25.397 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.433 23.211 -4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.405 24.630 -4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.952 22.700 -6.657 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.730 22.600 -5.090 1.00 0.00 H new ATOM 657 N ARG A 90 -7.162 25.222 -4.859 1.00 0.00 N ATOM 658 CA ARG A 90 -6.112 26.042 -4.229 1.00 0.00 C ATOM 659 C ARG A 90 -5.561 27.056 -5.221 1.00 0.00 C ATOM 660 O ARG A 90 -5.504 28.233 -4.907 1.00 0.00 O ATOM 661 CB ARG A 90 -4.951 25.168 -3.747 1.00 0.00 C ATOM 662 CG ARG A 90 -5.308 24.138 -2.671 1.00 0.00 C ATOM 663 CD ARG A 90 -4.978 24.575 -1.238 1.00 0.00 C ATOM 664 NE ARG A 90 -5.889 25.632 -0.746 1.00 0.00 N ATOM 665 CZ ARG A 90 -5.685 26.433 0.287 1.00 0.00 C ATOM 666 NH1 ARG A 90 -4.588 26.396 0.989 1.00 0.00 N ATOM 667 NH2 ARG A 90 -6.593 27.294 0.647 1.00 0.00 N ATOM 0 H ARG A 90 -6.959 24.222 -4.856 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.565 26.554 -3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.534 24.642 -4.606 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.166 25.817 -3.359 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.374 23.920 -2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.779 23.209 -2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.036 23.712 -0.575 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.951 24.938 -1.199 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.764 25.756 -1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.851 25.733 0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.466 27.030 1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.471 27.355 0.131 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.426 27.907 1.445 1.00 0.00 H new ATOM 681 N LYS A 91 -5.217 26.620 -6.434 1.00 0.00 N ATOM 682 CA LYS A 91 -4.749 27.488 -7.534 1.00 0.00 C ATOM 683 C LYS A 91 -5.790 28.558 -7.913 1.00 0.00 C ATOM 684 O LYS A 91 -5.405 29.686 -8.229 1.00 0.00 O ATOM 685 CB LYS A 91 -4.276 26.627 -8.727 1.00 0.00 C ATOM 686 CG LYS A 91 -3.725 27.457 -9.904 1.00 0.00 C ATOM 687 CD LYS A 91 -4.743 27.629 -11.047 1.00 0.00 C ATOM 688 CE LYS A 91 -4.708 26.405 -11.976 1.00 0.00 C ATOM 689 NZ LYS A 91 -5.790 26.435 -12.998 1.00 0.00 N ATOM 0 H LYS A 91 -5.254 25.634 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.884 28.055 -7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.503 25.939 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.110 26.020 -9.080 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.426 28.440 -9.540 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.828 26.975 -10.293 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.745 27.754 -10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.516 28.532 -11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.741 26.360 -12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.801 25.497 -11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.616 25.697 -13.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.707 26.263 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.804 27.366 -13.461 1.00 0.00 H new ATOM 703 N LYS A 92 -7.094 28.262 -7.818 1.00 0.00 N ATOM 704 CA LYS A 92 -8.176 29.256 -7.954 1.00 0.00 C ATOM 705 C LYS A 92 -8.148 30.329 -6.852 1.00 0.00 C ATOM 706 O LYS A 92 -8.287 31.509 -7.175 1.00 0.00 O ATOM 707 CB LYS A 92 -9.552 28.555 -8.009 1.00 0.00 C ATOM 708 CG LYS A 92 -10.241 28.621 -9.382 1.00 0.00 C ATOM 709 CD LYS A 92 -9.430 27.936 -10.493 1.00 0.00 C ATOM 710 CE LYS A 92 -10.227 27.802 -11.799 1.00 0.00 C ATOM 711 NZ LYS A 92 -11.205 26.680 -11.742 1.00 0.00 N ATOM 0 H LYS A 92 -7.434 27.316 -7.643 1.00 0.00 H new ATOM 0 HA LYS A 92 -8.007 29.779 -8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.425 27.509 -7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.207 29.007 -7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.222 28.151 -9.313 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -10.406 29.665 -9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.521 28.508 -10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.120 26.947 -10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.756 28.734 -11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -9.539 27.642 -12.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.792 26.687 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.694 25.777 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.814 26.792 -10.906 1.00 0.00 H new ATOM 725 N SER A 93 -7.956 29.958 -5.580 1.00 0.00 N ATOM 726 CA SER A 93 -7.943 30.932 -4.462 1.00 0.00 C ATOM 727 C SER A 93 -6.580 31.606 -4.182 1.00 0.00 C ATOM 728 O SER A 93 -6.545 32.754 -3.731 1.00 0.00 O ATOM 729 CB SER A 93 -8.513 30.296 -3.191 1.00 0.00 C ATOM 730 OG SER A 93 -7.796 29.132 -2.806 1.00 0.00 O ATOM 0 H SER A 93 -7.807 28.991 -5.291 1.00 0.00 H new ATOM 0 HA SER A 93 -8.585 31.748 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.485 31.023 -2.379 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.560 30.039 -3.353 1.00 0.00 H new ATOM 0 HG SER A 93 -7.043 28.994 -3.418 1.00 0.00 H new ATOM 736 N ASP A 94 -5.465 30.938 -4.484 1.00 0.00 N ATOM 737 CA ASP A 94 -4.069 31.333 -4.259 1.00 0.00 C ATOM 738 C ASP A 94 -3.155 30.680 -5.337 1.00 0.00 C ATOM 739 O ASP A 94 -2.843 29.487 -5.259 1.00 0.00 O ATOM 740 CB ASP A 94 -3.621 30.904 -2.849 1.00 0.00 C ATOM 741 CG ASP A 94 -4.138 31.850 -1.750 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.684 33.019 -1.701 1.00 0.00 O ATOM 743 OD2 ASP A 94 -4.946 31.417 -0.892 1.00 0.00 O ATOM 0 H ASP A 94 -5.519 30.024 -4.933 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.987 32.417 -4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.977 29.893 -2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.532 30.871 -2.812 1.00 0.00 H new ATOM 748 N PRO A 95 -2.702 31.429 -6.361 1.00 0.00 N ATOM 749 CA PRO A 95 -2.200 30.871 -7.630 1.00 0.00 C ATOM 750 C PRO A 95 -0.810 30.205 -7.594 1.00 0.00 C ATOM 751 O PRO A 95 -0.440 29.518 -8.548 1.00 0.00 O ATOM 752 CB PRO A 95 -2.209 32.058 -8.604 1.00 0.00 C ATOM 753 CG PRO A 95 -2.001 33.256 -7.678 1.00 0.00 C ATOM 754 CD PRO A 95 -2.854 32.869 -6.479 1.00 0.00 C ATOM 0 HA PRO A 95 -2.842 30.039 -7.919 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.415 31.978 -9.347 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.150 32.127 -9.149 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.953 33.389 -7.409 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.334 34.189 -8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.518 33.377 -5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.897 33.145 -6.631 1.00 0.00 H new ATOM 762 N TRP A 96 -0.026 30.405 -6.529 1.00 0.00 N ATOM 763 CA TRP A 96 1.380 29.974 -6.443 1.00 0.00 C ATOM 764 C TRP A 96 1.600 28.448 -6.413 1.00 0.00 C ATOM 765 O TRP A 96 2.704 27.992 -6.726 1.00 0.00 O ATOM 766 CB TRP A 96 2.001 30.566 -5.169 1.00 0.00 C ATOM 767 CG TRP A 96 1.556 29.895 -3.903 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.351 30.053 -3.314 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.246 28.869 -3.124 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.254 29.220 -2.215 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.388 28.452 -2.062 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.498 28.225 -3.233 1.00 0.00 C ATOM 773 CZ2 TRP A 96 1.758 27.454 -1.149 1.00 0.00 C ATOM 774 CZ3 TRP A 96 3.877 27.218 -2.324 1.00 0.00 C ATOM 775 CH2 TRP A 96 3.012 26.834 -1.282 1.00 0.00 C ATOM 0 H TRP A 96 -0.353 30.879 -5.687 1.00 0.00 H new ATOM 0 HA TRP A 96 1.851 30.334 -7.357 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.086 30.498 -5.241 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.750 31.625 -5.114 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.421 30.729 -3.651 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.555 29.179 -1.595 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.175 28.509 -4.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.087 27.165 -0.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.838 26.737 -2.427 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.312 26.064 -0.586 1.00 0.00 H new ATOM 786 N LEU A 97 0.602 27.662 -5.980 1.00 0.00 N ATOM 787 CA LEU A 97 0.807 26.281 -5.543 1.00 0.00 C ATOM 788 C LEU A 97 1.310 25.354 -6.677 1.00 0.00 C ATOM 789 O LEU A 97 0.871 25.469 -7.824 1.00 0.00 O ATOM 790 CB LEU A 97 -0.504 25.762 -4.918 1.00 0.00 C ATOM 791 CG LEU A 97 -0.397 24.384 -4.235 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.509 24.408 -3.003 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.780 23.936 -3.792 1.00 0.00 C ATOM 0 H LEU A 97 -0.369 27.971 -5.925 1.00 0.00 H new ATOM 0 HA LEU A 97 1.601 26.270 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.852 26.489 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.264 25.707 -5.697 1.00 0.00 H new ATOM 0 HG LEU A 97 0.035 23.698 -4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.549 23.412 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.513 24.715 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.112 25.113 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.709 22.962 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.190 24.661 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.434 23.863 -4.661 1.00 0.00 H new ATOM 805 N ARG A 98 2.172 24.384 -6.340 1.00 0.00 N ATOM 806 CA ARG A 98 2.650 23.314 -7.244 1.00 0.00 C ATOM 807 C ARG A 98 1.864 21.998 -7.094 1.00 0.00 C ATOM 808 O ARG A 98 1.366 21.687 -6.012 1.00 0.00 O ATOM 809 CB ARG A 98 4.172 23.129 -7.093 1.00 0.00 C ATOM 810 CG ARG A 98 4.627 22.685 -5.689 1.00 0.00 C ATOM 811 CD ARG A 98 6.142 22.443 -5.629 1.00 0.00 C ATOM 812 NE ARG A 98 6.916 23.686 -5.835 1.00 0.00 N ATOM 813 CZ ARG A 98 7.308 24.557 -4.917 1.00 0.00 C ATOM 814 NH1 ARG A 98 7.033 24.409 -3.652 1.00 0.00 N ATOM 815 NH2 ARG A 98 7.994 25.608 -5.264 1.00 0.00 N ATOM 0 H ARG A 98 2.571 24.315 -5.404 1.00 0.00 H new ATOM 0 HA ARG A 98 2.454 23.633 -8.267 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.509 22.391 -7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.666 24.069 -7.340 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.352 23.447 -4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.102 21.772 -5.409 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.401 22.012 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.422 21.713 -6.389 1.00 0.00 H new ATOM 0 HE ARG A 98 7.179 23.898 -6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.498 23.600 -3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.353 25.102 -2.976 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.230 25.762 -6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.295 26.277 -4.556 1.00 0.00 H new ATOM 829 N LEU A 99 1.759 21.232 -8.183 1.00 0.00 N ATOM 830 CA LEU A 99 1.024 19.961 -8.273 1.00 0.00 C ATOM 831 C LEU A 99 2.034 18.789 -8.292 1.00 0.00 C ATOM 832 O LEU A 99 2.844 18.692 -9.215 1.00 0.00 O ATOM 833 CB LEU A 99 0.141 20.029 -9.546 1.00 0.00 C ATOM 834 CG LEU A 99 -1.053 19.057 -9.681 1.00 0.00 C ATOM 835 CD1 LEU A 99 -1.586 19.128 -11.115 1.00 0.00 C ATOM 836 CD2 LEU A 99 -0.697 17.613 -9.404 1.00 0.00 C ATOM 0 H LEU A 99 2.202 21.489 -9.065 1.00 0.00 H new ATOM 0 HA LEU A 99 0.375 19.794 -7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.250 21.044 -9.622 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.791 19.873 -10.407 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.788 19.368 -8.939 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.429 18.446 -11.224 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.911 20.145 -11.332 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.797 18.843 -11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.585 16.991 -9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.068 17.286 -10.108 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.318 17.521 -8.386 1.00 0.00 H new ATOM 848 N ASP A 100 1.984 17.892 -7.297 1.00 0.00 N ATOM 849 CA ASP A 100 2.878 16.721 -7.188 1.00 0.00 C ATOM 850 C ASP A 100 2.100 15.424 -6.905 1.00 0.00 C ATOM 851 O ASP A 100 1.557 15.236 -5.814 1.00 0.00 O ATOM 852 CB ASP A 100 3.941 16.966 -6.109 1.00 0.00 C ATOM 853 CG ASP A 100 5.014 17.966 -6.571 1.00 0.00 C ATOM 854 OD1 ASP A 100 5.892 17.574 -7.379 1.00 0.00 O ATOM 855 OD2 ASP A 100 5.007 19.130 -6.106 1.00 0.00 O ATOM 0 H ASP A 100 1.313 17.957 -6.532 1.00 0.00 H new ATOM 0 HA ASP A 100 3.373 16.591 -8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.460 17.342 -5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.416 16.020 -5.847 1.00 0.00 H new ATOM 860 N MET A 101 2.054 14.520 -7.889 1.00 0.00 N ATOM 861 CA MET A 101 1.346 13.229 -7.824 1.00 0.00 C ATOM 862 C MET A 101 2.024 12.138 -8.669 1.00 0.00 C ATOM 863 O MET A 101 1.407 11.473 -9.500 1.00 0.00 O ATOM 864 CB MET A 101 -0.168 13.400 -8.096 1.00 0.00 C ATOM 865 CG MET A 101 -0.599 14.381 -9.185 1.00 0.00 C ATOM 866 SD MET A 101 -0.572 13.795 -10.898 1.00 0.00 S ATOM 867 CE MET A 101 -1.916 14.825 -11.554 1.00 0.00 C ATOM 0 H MET A 101 2.522 14.668 -8.783 1.00 0.00 H new ATOM 0 HA MET A 101 1.422 12.861 -6.801 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.573 12.421 -8.351 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.641 13.708 -7.164 1.00 0.00 H new ATOM 0 HG2 MET A 101 -1.613 14.711 -8.958 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.044 15.259 -9.120 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.152 14.511 -12.571 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.799 14.714 -10.925 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.604 15.869 -11.561 1.00 0.00 H new ATOM 877 N SER A 102 3.312 11.912 -8.401 1.00 0.00 N ATOM 878 CA SER A 102 3.957 10.629 -8.717 1.00 0.00 C ATOM 879 C SER A 102 3.291 9.494 -7.929 1.00 0.00 C ATOM 880 O SER A 102 2.741 9.709 -6.845 1.00 0.00 O ATOM 881 CB SER A 102 5.454 10.705 -8.395 1.00 0.00 C ATOM 882 OG SER A 102 5.654 10.920 -7.004 1.00 0.00 O ATOM 0 H SER A 102 3.930 12.597 -7.967 1.00 0.00 H new ATOM 0 HA SER A 102 3.840 10.423 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.945 9.781 -8.700 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.914 11.513 -8.964 1.00 0.00 H new ATOM 0 HG SER A 102 6.615 10.964 -6.815 1.00 0.00 H new ATOM 888 N ASP A 103 3.360 8.257 -8.418 1.00 0.00 N ATOM 889 CA ASP A 103 2.773 7.113 -7.701 1.00 0.00 C ATOM 890 C ASP A 103 3.408 6.941 -6.306 1.00 0.00 C ATOM 891 O ASP A 103 2.703 6.648 -5.342 1.00 0.00 O ATOM 892 CB ASP A 103 2.878 5.851 -8.563 1.00 0.00 C ATOM 893 CG ASP A 103 1.806 5.826 -9.664 1.00 0.00 C ATOM 894 OD1 ASP A 103 1.756 6.746 -10.517 1.00 0.00 O ATOM 895 OD2 ASP A 103 0.982 4.884 -9.694 1.00 0.00 O ATOM 0 H ASP A 103 3.812 8.016 -9.300 1.00 0.00 H new ATOM 0 HA ASP A 103 1.714 7.304 -7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.868 5.801 -9.017 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.772 4.969 -7.932 1.00 0.00 H new ATOM 900 N LYS A 104 4.699 7.287 -6.157 1.00 0.00 N ATOM 901 CA LYS A 104 5.383 7.427 -4.859 1.00 0.00 C ATOM 902 C LYS A 104 4.694 8.445 -3.940 1.00 0.00 C ATOM 903 O LYS A 104 4.472 8.148 -2.770 1.00 0.00 O ATOM 904 CB LYS A 104 6.856 7.798 -5.116 1.00 0.00 C ATOM 905 CG LYS A 104 7.716 7.733 -3.842 1.00 0.00 C ATOM 906 CD LYS A 104 9.188 8.035 -4.155 1.00 0.00 C ATOM 907 CE LYS A 104 10.039 7.957 -2.880 1.00 0.00 C ATOM 908 NZ LYS A 104 11.477 8.234 -3.156 1.00 0.00 N ATOM 0 H LYS A 104 5.308 7.481 -6.952 1.00 0.00 H new ATOM 0 HA LYS A 104 5.332 6.475 -4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.271 7.123 -5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.906 8.804 -5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.342 8.449 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.632 6.744 -3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.562 7.324 -4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.275 9.028 -4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.665 8.674 -2.149 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.938 6.967 -2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.019 8.172 -2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.841 7.535 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.576 9.189 -3.556 1.00 0.00 H new ATOM 922 N ALA A 105 4.286 9.607 -4.464 1.00 0.00 N ATOM 923 CA ALA A 105 3.517 10.604 -3.712 1.00 0.00 C ATOM 924 C ALA A 105 2.126 10.096 -3.308 1.00 0.00 C ATOM 925 O ALA A 105 1.659 10.403 -2.210 1.00 0.00 O ATOM 926 CB ALA A 105 3.478 11.915 -4.508 1.00 0.00 C ATOM 0 H ALA A 105 4.481 9.883 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 105 4.019 10.797 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.907 12.660 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.494 12.277 -4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.004 11.740 -5.474 1.00 0.00 H new ATOM 932 N ILE A 106 1.487 9.262 -4.134 1.00 0.00 N ATOM 933 CA ILE A 106 0.197 8.636 -3.778 1.00 0.00 C ATOM 934 C ILE A 106 0.397 7.634 -2.646 1.00 0.00 C ATOM 935 O ILE A 106 -0.301 7.719 -1.640 1.00 0.00 O ATOM 936 CB ILE A 106 -0.508 8.022 -5.014 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.275 9.111 -5.785 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.525 6.920 -4.656 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.379 10.199 -6.369 1.00 0.00 C ATOM 0 H ILE A 106 1.837 9.001 -5.056 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.479 9.410 -3.414 1.00 0.00 H new ATOM 0 HB ILE A 106 0.289 7.581 -5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.837 8.643 -6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.002 9.572 -5.117 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.980 6.535 -5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.015 6.110 -4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.300 7.335 -4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.991 10.930 -6.897 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.164 10.694 -5.564 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.332 9.751 -7.064 1.00 0.00 H new ATOM 951 N PHE A 107 1.380 6.744 -2.754 1.00 0.00 N ATOM 952 CA PHE A 107 1.626 5.735 -1.712 1.00 0.00 C ATOM 953 C PHE A 107 2.122 6.365 -0.394 1.00 0.00 C ATOM 954 O PHE A 107 1.820 5.854 0.686 1.00 0.00 O ATOM 955 CB PHE A 107 2.580 4.639 -2.210 1.00 0.00 C ATOM 956 CG PHE A 107 2.236 4.029 -3.559 1.00 0.00 C ATOM 957 CD1 PHE A 107 0.895 3.774 -3.900 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.255 3.713 -4.481 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.566 3.250 -5.159 1.00 0.00 C ATOM 960 CE2 PHE A 107 2.928 3.173 -5.738 1.00 0.00 C ATOM 961 CZ PHE A 107 1.582 2.949 -6.081 1.00 0.00 C ATOM 0 H PHE A 107 2.020 6.696 -3.547 1.00 0.00 H new ATOM 0 HA PHE A 107 0.668 5.265 -1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.585 5.056 -2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.607 3.841 -1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 107 0.112 3.984 -3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.289 3.886 -4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.468 3.078 -5.419 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.711 2.930 -6.441 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.331 2.546 -7.051 1.00 0.00 H new ATOM 971 N ARG A 108 2.828 7.507 -0.458 1.00 0.00 N ATOM 972 CA ARG A 108 3.253 8.297 0.715 1.00 0.00 C ATOM 973 C ARG A 108 2.076 8.994 1.413 1.00 0.00 C ATOM 974 O ARG A 108 1.981 8.922 2.640 1.00 0.00 O ATOM 975 CB ARG A 108 4.356 9.286 0.291 1.00 0.00 C ATOM 976 CG ARG A 108 4.978 10.018 1.491 1.00 0.00 C ATOM 977 CD ARG A 108 6.137 10.921 1.052 1.00 0.00 C ATOM 978 NE ARG A 108 6.745 11.607 2.212 1.00 0.00 N ATOM 979 CZ ARG A 108 7.763 12.450 2.192 1.00 0.00 C ATOM 980 NH1 ARG A 108 8.362 12.790 1.086 1.00 0.00 N ATOM 981 NH2 ARG A 108 8.204 12.973 3.300 1.00 0.00 N ATOM 0 H ARG A 108 3.126 7.917 -1.343 1.00 0.00 H new ATOM 0 HA ARG A 108 3.664 7.617 1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.136 8.747 -0.247 1.00 0.00 H new ATOM 0 HB3 ARG A 108 3.938 10.017 -0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 108 4.216 10.617 1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 108 5.337 9.290 2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.893 10.325 0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 108 5.776 11.660 0.337 1.00 0.00 H new ATOM 0 HE ARG A 108 6.335 11.409 3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 108 8.048 12.402 0.196 1.00 0.00 H new ATOM 0 HH12 ARG A 108 9.145 13.444 1.110 1.00 0.00 H new ATOM 0 HH21 ARG A 108 7.764 12.733 4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 108 8.990 13.623 3.280 1.00 0.00 H new ATOM 995 N ARG A 109 1.166 9.631 0.659 1.00 0.00 N ATOM 996 CA ARG A 109 -0.055 10.252 1.222 1.00 0.00 C ATOM 997 C ARG A 109 -1.070 9.216 1.725 1.00 0.00 C ATOM 998 O ARG A 109 -1.714 9.436 2.752 1.00 0.00 O ATOM 999 CB ARG A 109 -0.729 11.165 0.182 1.00 0.00 C ATOM 1000 CG ARG A 109 0.032 12.479 -0.054 1.00 0.00 C ATOM 1001 CD ARG A 109 -0.784 13.386 -0.985 1.00 0.00 C ATOM 1002 NE ARG A 109 -0.087 14.658 -1.267 1.00 0.00 N ATOM 1003 CZ ARG A 109 0.537 15.011 -2.378 1.00 0.00 C ATOM 1004 NH1 ARG A 109 0.756 14.168 -3.344 1.00 0.00 N ATOM 1005 NH2 ARG A 109 0.953 16.230 -2.553 1.00 0.00 N ATOM 0 H ARG A 109 1.250 9.733 -0.352 1.00 0.00 H new ATOM 0 HA ARG A 109 0.268 10.842 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.815 10.628 -0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.742 11.394 0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 109 0.211 12.983 0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.007 12.272 -0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.978 12.863 -1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -1.752 13.596 -0.530 1.00 0.00 H new ATOM 0 HE ARG A 109 -0.087 15.346 -0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 109 0.443 13.201 -3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 109 1.241 14.474 -4.188 1.00 0.00 H new ATOM 0 HH21 ARG A 109 0.800 16.930 -1.827 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.433 16.486 -3.416 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.194 8.099 1.010 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.238 7.087 1.175 1.00 0.00 C ATOM 1021 C TYR A 110 -1.614 5.674 1.255 1.00 0.00 C ATOM 1022 O TYR A 110 -1.515 4.973 0.241 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.242 7.241 0.021 1.00 0.00 C ATOM 1024 CG TYR A 110 -3.815 8.638 -0.149 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.666 9.173 0.835 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.494 9.398 -1.290 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.215 10.459 0.670 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.045 10.685 -1.461 1.00 0.00 C ATOM 1029 CZ TYR A 110 -4.910 11.217 -0.480 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.454 12.458 -0.631 1.00 0.00 O ATOM 0 H TYR A 110 -0.539 7.863 0.265 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.774 7.228 2.113 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.752 6.950 -0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.065 6.544 0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -4.899 8.597 1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.825 8.995 -2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -5.871 10.866 1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.806 11.263 -2.341 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.145 12.850 -1.474 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.167 5.231 2.449 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.351 4.019 2.606 1.00 0.00 C ATOM 1042 C PRO A 111 -1.098 2.705 2.327 1.00 0.00 C ATOM 1043 O PRO A 111 -0.460 1.665 2.157 1.00 0.00 O ATOM 1044 CB PRO A 111 0.196 4.085 4.039 1.00 0.00 C ATOM 1045 CG PRO A 111 -0.857 4.901 4.786 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.301 5.911 3.730 1.00 0.00 C ATOM 0 HA PRO A 111 0.442 4.004 1.859 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.313 3.091 4.470 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.174 4.565 4.073 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -1.685 4.280 5.127 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.442 5.391 5.667 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.330 6.227 3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.683 6.808 3.763 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.433 2.730 2.232 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.253 1.562 1.883 1.00 0.00 C ATOM 1056 C HIS A 112 -3.230 1.206 0.381 1.00 0.00 C ATOM 1057 O HIS A 112 -3.669 0.112 0.020 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.675 1.773 2.415 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.460 2.849 1.714 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.209 4.224 1.786 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.525 2.630 0.892 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.151 4.796 1.018 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -6.960 3.869 0.486 1.00 0.00 N ATOM 0 H HIS A 112 -2.982 3.573 2.398 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.812 0.690 2.366 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.221 0.833 2.333 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.618 2.017 3.476 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -6.944 1.674 0.615 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.244 5.859 0.852 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.762 4.052 -0.117 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.694 2.080 -0.493 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.574 1.807 -1.938 1.00 0.00 C ATOM 1073 C LEU A 113 -1.343 0.932 -2.284 1.00 0.00 C ATOM 1074 O LEU A 113 -1.413 0.185 -3.263 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.597 3.118 -2.764 1.00 0.00 C ATOM 1076 CG LEU A 113 -3.959 3.813 -2.984 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -4.995 2.941 -3.686 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.585 4.248 -1.679 1.00 0.00 C ATOM 0 H LEU A 113 -2.333 2.993 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.450 1.222 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.933 3.832 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.170 2.903 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.713 4.665 -3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.923 3.501 -3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.621 2.650 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.183 2.048 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.541 4.732 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.745 3.377 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.921 4.949 -1.173 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.280 0.975 -1.453 1.00 0.00 N ATOM 1091 CA ARG A 114 0.890 0.061 -1.416 1.00 0.00 C ATOM 1092 C ARG A 114 1.711 -0.059 -2.717 1.00 0.00 C ATOM 1093 O ARG A 114 2.772 0.603 -2.779 1.00 0.00 O ATOM 1094 CB ARG A 114 0.495 -1.320 -0.854 1.00 0.00 C ATOM 1095 CG ARG A 114 0.035 -1.285 0.611 1.00 0.00 C ATOM 1096 CD ARG A 114 -0.256 -2.702 1.118 1.00 0.00 C ATOM 1097 NE ARG A 114 -0.622 -2.705 2.547 1.00 0.00 N ATOM 1098 CZ ARG A 114 -0.930 -3.763 3.275 1.00 0.00 C ATOM 1099 NH1 ARG A 114 -0.956 -4.967 2.775 1.00 0.00 N ATOM 1100 NH2 ARG A 114 -1.218 -3.632 4.536 1.00 0.00 N ATOM 1101 OXT ARG A 114 1.386 -0.875 -3.612 1.00 0.00 O ATOM 0 H ARG A 114 -0.208 1.699 -0.738 1.00 0.00 H new ATOM 0 HA ARG A 114 1.585 0.547 -0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -0.305 -1.736 -1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.347 -1.995 -0.942 1.00 0.00 H new ATOM 0 HG2 ARG A 114 0.805 -0.823 1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.860 -0.669 0.703 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -1.066 -3.138 0.534 1.00 0.00 H new ATOM 0 HD3 ARG A 114 0.621 -3.331 0.966 1.00 0.00 H new ATOM 0 HE ARG A 114 -0.639 -1.801 3.019 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -0.734 -5.115 1.791 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -1.199 -5.760 3.368 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.207 -2.708 4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -1.455 -4.453 5.093 1.00 0.00 H new TER 1115 ARG A 114