USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 889 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: B 106 GLN : amide:sc= -0.27 K(o=0.27,f=-0.32) USER MOD Set 1.2: B 110 TYR OH : rot 118:sc= 0.542 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.187 (180deg=-0.24) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= -2.07! (180deg=-3.15!) USER MOD Single : A 13 TYR OH : rot 165:sc=-0.00183 USER MOD Single : A 14 GLN : amide:sc= 0.0597 X(o=0.06,f=-0.016) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -3.12! C(o=-3.1!,f=-4.1!) USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.1) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.4) USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0179) USER MOD Single : A 33 LYS NZ :NH3+ 146:sc= 1.54 (180deg=0.968) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.35 F(o=-1.9!,f=-0.35) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -6:sc= 0.285 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD Single : B 100 GLN : amide:sc= -1.21! C(o=-1.2!,f=-5.1!) USER MOD Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 107 ASN :FLIP amide:sc= -1.33 F(o=-2.7!,f=-1.3) USER MOD Single : B 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 112 LYS NZ :NH3+ 170:sc=-0.00372 (180deg=-0.127) USER MOD Single : B 115 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : B 123 LYS NZ :NH3+ -141:sc= 0.0391 (180deg=-2.3!) USER MOD Single : B 130 SER OG : rot -27:sc= 0.0498 USER MOD Single : B 133 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.139 2.262 14.609 1.00 0.00 N ATOM 2 CA MET A 1 30.789 1.383 13.611 1.00 0.00 C ATOM 3 C MET A 1 31.049 2.130 12.310 1.00 0.00 C ATOM 4 O MET A 1 31.042 1.535 11.230 1.00 0.00 O ATOM 5 CB MET A 1 29.923 0.148 13.339 1.00 0.00 C ATOM 6 CG MET A 1 29.824 -0.808 14.516 1.00 0.00 C ATOM 7 SD MET A 1 31.422 -1.506 14.973 1.00 0.00 S ATOM 8 CE MET A 1 30.948 -2.580 16.326 1.00 0.00 C ATOM 0 H1 MET A 1 29.866 1.700 15.441 1.00 0.00 H new ATOM 0 H2 MET A 1 30.802 3.009 14.898 1.00 0.00 H new ATOM 0 H3 MET A 1 29.291 2.695 14.190 1.00 0.00 H new ATOM 0 HA MET A 1 31.746 1.063 14.022 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.920 0.474 13.063 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.331 -0.388 12.482 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.402 -0.282 15.373 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.136 -1.616 14.267 1.00 0.00 H new ATOM 0 HE1 MET A 1 31.832 -3.085 16.717 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.489 -1.987 17.117 1.00 0.00 H new ATOM 0 HE3 MET A 1 30.235 -3.322 15.968 1.00 0.00 H new ATOM 20 N ASP A 2 31.278 3.435 12.408 1.00 0.00 N ATOM 21 CA ASP A 2 31.574 4.245 11.235 1.00 0.00 C ATOM 22 C ASP A 2 32.677 5.247 11.544 1.00 0.00 C ATOM 23 O ASP A 2 32.579 6.032 12.486 1.00 0.00 O ATOM 24 CB ASP A 2 30.315 4.957 10.705 1.00 0.00 C ATOM 25 CG ASP A 2 29.579 5.783 11.749 1.00 0.00 C ATOM 26 OD1 ASP A 2 28.585 5.276 12.319 1.00 0.00 O ATOM 27 OD2 ASP A 2 29.967 6.941 11.999 1.00 0.00 O ATOM 0 H ASP A 2 31.264 3.953 13.287 1.00 0.00 H new ATOM 0 HA ASP A 2 31.924 3.577 10.448 1.00 0.00 H new ATOM 0 HB2 ASP A 2 30.600 5.608 9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 2 29.632 4.210 10.301 1.00 0.00 H new ATOM 32 N SER A 3 33.756 5.172 10.782 1.00 0.00 N ATOM 33 CA SER A 3 34.868 6.092 10.942 1.00 0.00 C ATOM 34 C SER A 3 34.978 7.021 9.736 1.00 0.00 C ATOM 35 O SER A 3 35.133 8.234 9.883 1.00 0.00 O ATOM 36 CB SER A 3 36.167 5.313 11.141 1.00 0.00 C ATOM 37 OG SER A 3 36.060 4.432 12.249 1.00 0.00 O ATOM 0 H SER A 3 33.885 4.480 10.044 1.00 0.00 H new ATOM 0 HA SER A 3 34.688 6.705 11.825 1.00 0.00 H new ATOM 0 HB2 SER A 3 36.398 4.745 10.240 1.00 0.00 H new ATOM 0 HB3 SER A 3 36.992 6.007 11.300 1.00 0.00 H new ATOM 0 HG SER A 3 36.901 3.941 12.359 1.00 0.00 H new ATOM 43 N ALA A 4 34.896 6.443 8.544 1.00 0.00 N ATOM 44 CA ALA A 4 34.943 7.216 7.313 1.00 0.00 C ATOM 45 C ALA A 4 33.541 7.670 6.933 1.00 0.00 C ATOM 46 O ALA A 4 33.334 8.798 6.484 1.00 0.00 O ATOM 47 CB ALA A 4 35.563 6.393 6.195 1.00 0.00 C ATOM 0 H ALA A 4 34.796 5.437 8.405 1.00 0.00 H new ATOM 0 HA ALA A 4 35.564 8.098 7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 4 35.591 6.985 5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 4 36.577 6.107 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 4 34.966 5.497 6.029 1.00 0.00 H new ATOM 53 N ILE A 5 32.584 6.779 7.124 1.00 0.00 N ATOM 54 CA ILE A 5 31.179 7.087 6.916 1.00 0.00 C ATOM 55 C ILE A 5 30.639 7.821 8.141 1.00 0.00 C ATOM 56 O ILE A 5 31.102 7.582 9.253 1.00 0.00 O ATOM 57 CB ILE A 5 30.372 5.786 6.695 1.00 0.00 C ATOM 58 CG1 ILE A 5 30.996 4.963 5.565 1.00 0.00 C ATOM 59 CG2 ILE A 5 28.915 6.095 6.384 1.00 0.00 C ATOM 60 CD1 ILE A 5 30.341 3.613 5.362 1.00 0.00 C ATOM 0 H ILE A 5 32.759 5.821 7.428 1.00 0.00 H new ATOM 0 HA ILE A 5 31.078 7.717 6.032 1.00 0.00 H new ATOM 0 HB ILE A 5 30.405 5.203 7.615 1.00 0.00 H new ATOM 0 HG12 ILE A 5 30.933 5.531 4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 5 32.055 4.815 5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 5 28.370 5.163 6.233 1.00 0.00 H new ATOM 0 HG22 ILE A 5 28.474 6.643 7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 5 28.857 6.700 5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 5 30.836 3.087 4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 5 30.427 3.026 6.276 1.00 0.00 H new ATOM 0 HD13 ILE A 5 29.288 3.753 5.118 1.00 0.00 H new ATOM 72 N SER A 6 29.696 8.732 7.945 1.00 0.00 N ATOM 73 CA SER A 6 29.066 9.400 9.066 1.00 0.00 C ATOM 74 C SER A 6 27.678 8.815 9.299 1.00 0.00 C ATOM 75 O SER A 6 27.228 7.959 8.531 1.00 0.00 O ATOM 76 CB SER A 6 28.972 10.905 8.800 1.00 0.00 C ATOM 77 OG SER A 6 30.240 11.445 8.464 1.00 0.00 O ATOM 0 H SER A 6 29.355 9.021 7.028 1.00 0.00 H new ATOM 0 HA SER A 6 29.670 9.245 9.960 1.00 0.00 H new ATOM 0 HB2 SER A 6 28.268 11.091 7.989 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.581 11.410 9.683 1.00 0.00 H new ATOM 0 HG SER A 6 30.152 12.407 8.297 1.00 0.00 H new ATOM 83 N LYS A 7 26.995 9.261 10.342 1.00 0.00 N ATOM 84 CA LYS A 7 25.620 8.846 10.574 1.00 0.00 C ATOM 85 C LYS A 7 24.736 9.345 9.434 1.00 0.00 C ATOM 86 O LYS A 7 23.680 8.778 9.153 1.00 0.00 O ATOM 87 CB LYS A 7 25.126 9.382 11.917 1.00 0.00 C ATOM 88 CG LYS A 7 23.809 8.778 12.363 1.00 0.00 C ATOM 89 CD LYS A 7 23.433 9.203 13.777 1.00 0.00 C ATOM 90 CE LYS A 7 24.156 8.384 14.846 1.00 0.00 C ATOM 91 NZ LYS A 7 25.632 8.567 14.828 1.00 0.00 N ATOM 0 H LYS A 7 27.368 9.907 11.038 1.00 0.00 H new ATOM 0 HA LYS A 7 25.572 7.758 10.605 1.00 0.00 H new ATOM 0 HB2 LYS A 7 25.882 9.186 12.677 1.00 0.00 H new ATOM 0 HB3 LYS A 7 25.015 10.464 11.849 1.00 0.00 H new ATOM 0 HG2 LYS A 7 23.021 9.079 11.673 1.00 0.00 H new ATOM 0 HG3 LYS A 7 23.875 7.691 12.317 1.00 0.00 H new ATOM 0 HD2 LYS A 7 23.670 10.259 13.911 1.00 0.00 H new ATOM 0 HD3 LYS A 7 22.356 9.098 13.910 1.00 0.00 H new ATOM 0 HE2 LYS A 7 23.774 8.663 15.828 1.00 0.00 H new ATOM 0 HE3 LYS A 7 23.926 7.328 14.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 26.023 8.327 15.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 26.050 7.945 14.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 25.856 9.557 14.603 1.00 0.00 H new ATOM 105 N GLU A 8 25.214 10.399 8.775 1.00 0.00 N ATOM 106 CA GLU A 8 24.563 10.985 7.606 1.00 0.00 C ATOM 107 C GLU A 8 24.128 9.923 6.596 1.00 0.00 C ATOM 108 O GLU A 8 22.980 9.907 6.150 1.00 0.00 O ATOM 109 CB GLU A 8 25.534 11.955 6.930 1.00 0.00 C ATOM 110 CG GLU A 8 25.912 13.137 7.791 1.00 0.00 C ATOM 111 CD GLU A 8 26.843 14.101 7.086 1.00 0.00 C ATOM 112 OE1 GLU A 8 28.047 13.793 6.976 1.00 0.00 O ATOM 113 OE2 GLU A 8 26.378 15.171 6.642 1.00 0.00 O ATOM 0 H GLU A 8 26.075 10.876 9.042 1.00 0.00 H new ATOM 0 HA GLU A 8 23.667 11.505 7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 8 26.439 11.415 6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 8 25.085 12.319 6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 8 25.008 13.666 8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 8 26.390 12.779 8.703 1.00 0.00 H new ATOM 120 N ASP A 9 25.053 9.038 6.252 1.00 0.00 N ATOM 121 CA ASP A 9 24.816 8.020 5.232 1.00 0.00 C ATOM 122 C ASP A 9 23.770 7.013 5.692 1.00 0.00 C ATOM 123 O ASP A 9 22.898 6.606 4.925 1.00 0.00 O ATOM 124 CB ASP A 9 26.124 7.299 4.913 1.00 0.00 C ATOM 125 CG ASP A 9 26.000 6.319 3.766 1.00 0.00 C ATOM 126 OD1 ASP A 9 26.233 6.724 2.607 1.00 0.00 O ATOM 127 OD2 ASP A 9 25.693 5.135 4.016 1.00 0.00 O ATOM 0 H ASP A 9 25.984 9.003 6.668 1.00 0.00 H new ATOM 0 HA ASP A 9 24.440 8.514 4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 9 26.889 8.037 4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 9 26.464 6.767 5.802 1.00 0.00 H new ATOM 132 N GLU A 10 23.861 6.620 6.954 1.00 0.00 N ATOM 133 CA GLU A 10 22.930 5.658 7.523 1.00 0.00 C ATOM 134 C GLU A 10 21.523 6.240 7.608 1.00 0.00 C ATOM 135 O GLU A 10 20.575 5.667 7.070 1.00 0.00 O ATOM 136 CB GLU A 10 23.406 5.211 8.904 1.00 0.00 C ATOM 137 CG GLU A 10 22.408 4.323 9.618 1.00 0.00 C ATOM 138 CD GLU A 10 22.955 3.727 10.895 1.00 0.00 C ATOM 139 OE1 GLU A 10 23.677 2.711 10.816 1.00 0.00 O ATOM 140 OE2 GLU A 10 22.653 4.261 11.984 1.00 0.00 O ATOM 0 H GLU A 10 24.572 6.954 7.605 1.00 0.00 H new ATOM 0 HA GLU A 10 22.896 4.790 6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 10 24.350 4.676 8.801 1.00 0.00 H new ATOM 0 HB3 GLU A 10 23.603 6.091 9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 10 21.514 4.902 9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.103 3.518 8.949 1.00 0.00 H new ATOM 147 N GLU A 11 21.398 7.377 8.283 1.00 0.00 N ATOM 148 CA GLU A 11 20.121 8.065 8.422 1.00 0.00 C ATOM 149 C GLU A 11 19.502 8.379 7.065 1.00 0.00 C ATOM 150 O GLU A 11 18.281 8.440 6.934 1.00 0.00 O ATOM 151 CB GLU A 11 20.304 9.345 9.233 1.00 0.00 C ATOM 152 CG GLU A 11 20.714 9.077 10.667 1.00 0.00 C ATOM 153 CD GLU A 11 19.620 8.393 11.460 1.00 0.00 C ATOM 154 OE1 GLU A 11 19.520 7.152 11.397 1.00 0.00 O ATOM 155 OE2 GLU A 11 18.855 9.092 12.155 1.00 0.00 O ATOM 0 H GLU A 11 22.176 7.846 8.747 1.00 0.00 H new ATOM 0 HA GLU A 11 19.436 7.401 8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.059 9.968 8.754 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.372 9.911 9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.609 8.455 10.676 1.00 0.00 H new ATOM 0 HG3 GLU A 11 20.975 10.019 11.150 1.00 0.00 H new ATOM 162 N ARG A 12 20.349 8.576 6.065 1.00 0.00 N ATOM 163 CA ARG A 12 19.890 8.758 4.697 1.00 0.00 C ATOM 164 C ARG A 12 19.005 7.590 4.270 1.00 0.00 C ATOM 165 O ARG A 12 17.859 7.787 3.866 1.00 0.00 O ATOM 166 CB ARG A 12 21.097 8.913 3.760 1.00 0.00 C ATOM 167 CG ARG A 12 20.853 8.503 2.314 1.00 0.00 C ATOM 168 CD ARG A 12 19.803 9.361 1.624 1.00 0.00 C ATOM 169 NE ARG A 12 19.570 8.888 0.263 1.00 0.00 N ATOM 170 CZ ARG A 12 18.581 9.290 -0.528 1.00 0.00 C ATOM 171 NH1 ARG A 12 17.685 10.173 -0.100 1.00 0.00 N ATOM 172 NH2 ARG A 12 18.481 8.785 -1.748 1.00 0.00 N ATOM 0 H ARG A 12 21.362 8.614 6.177 1.00 0.00 H new ATOM 0 HA ARG A 12 19.290 9.666 4.639 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.418 9.955 3.776 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.922 8.319 4.155 1.00 0.00 H new ATOM 0 HG2 ARG A 12 21.790 8.569 1.760 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.538 7.460 2.286 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.872 9.332 2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 12 20.131 10.400 1.603 1.00 0.00 H new ATOM 0 HE ARG A 12 20.218 8.194 -0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.752 10.550 0.845 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.930 10.474 -0.717 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.159 8.095 -2.072 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.726 9.086 -2.364 1.00 0.00 H new ATOM 186 N TYR A 13 19.521 6.375 4.390 1.00 0.00 N ATOM 187 CA TYR A 13 18.775 5.203 3.975 1.00 0.00 C ATOM 188 C TYR A 13 17.727 4.811 5.014 1.00 0.00 C ATOM 189 O TYR A 13 16.559 4.634 4.682 1.00 0.00 O ATOM 190 CB TYR A 13 19.714 4.026 3.710 1.00 0.00 C ATOM 191 CG TYR A 13 18.978 2.721 3.526 1.00 0.00 C ATOM 192 CD1 TYR A 13 19.268 1.624 4.322 1.00 0.00 C ATOM 193 CD2 TYR A 13 17.969 2.601 2.579 1.00 0.00 C ATOM 194 CE1 TYR A 13 18.576 0.439 4.178 1.00 0.00 C ATOM 195 CE2 TYR A 13 17.274 1.419 2.427 1.00 0.00 C ATOM 196 CZ TYR A 13 17.579 0.340 3.232 1.00 0.00 C ATOM 197 OH TYR A 13 16.884 -0.839 3.093 1.00 0.00 O ATOM 0 H TYR A 13 20.447 6.179 4.769 1.00 0.00 H new ATOM 0 HA TYR A 13 18.259 5.458 3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 13 20.306 4.233 2.818 1.00 0.00 H new ATOM 0 HB3 TYR A 13 20.413 3.930 4.541 1.00 0.00 H new ATOM 0 HD1 TYR A 13 20.047 1.698 5.066 1.00 0.00 H new ATOM 0 HD2 TYR A 13 17.725 3.446 1.952 1.00 0.00 H new ATOM 0 HE1 TYR A 13 18.815 -0.408 4.804 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.496 1.338 1.682 1.00 0.00 H new ATOM 0 HH TYR A 13 16.072 -0.680 2.568 1.00 0.00 H new ATOM 207 N GLN A 14 18.152 4.691 6.263 1.00 0.00 N ATOM 208 CA GLN A 14 17.284 4.203 7.338 1.00 0.00 C ATOM 209 C GLN A 14 16.009 5.023 7.445 1.00 0.00 C ATOM 210 O GLN A 14 14.904 4.487 7.381 1.00 0.00 O ATOM 211 CB GLN A 14 18.021 4.256 8.671 1.00 0.00 C ATOM 212 CG GLN A 14 19.186 3.291 8.778 1.00 0.00 C ATOM 213 CD GLN A 14 18.749 1.844 8.895 1.00 0.00 C ATOM 214 OE1 GLN A 14 18.528 1.340 9.997 1.00 0.00 O ATOM 215 NE2 GLN A 14 18.634 1.163 7.767 1.00 0.00 N ATOM 0 H GLN A 14 19.098 4.925 6.564 1.00 0.00 H new ATOM 0 HA GLN A 14 17.015 3.174 7.098 1.00 0.00 H new ATOM 0 HB2 GLN A 14 18.388 5.270 8.830 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.314 4.044 9.473 1.00 0.00 H new ATOM 0 HG2 GLN A 14 19.824 3.402 7.901 1.00 0.00 H new ATOM 0 HG3 GLN A 14 19.789 3.554 9.647 1.00 0.00 H new ATOM 0 HE21 GLN A 14 18.826 1.618 6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 14 18.353 0.183 7.789 1.00 0.00 H new ATOM 224 N LYS A 15 16.166 6.324 7.615 1.00 0.00 N ATOM 225 CA LYS A 15 15.023 7.212 7.727 1.00 0.00 C ATOM 226 C LYS A 15 14.202 7.221 6.436 1.00 0.00 C ATOM 227 O LYS A 15 13.003 7.486 6.469 1.00 0.00 O ATOM 228 CB LYS A 15 15.463 8.632 8.091 1.00 0.00 C ATOM 229 CG LYS A 15 16.223 8.726 9.412 1.00 0.00 C ATOM 230 CD LYS A 15 15.346 8.390 10.613 1.00 0.00 C ATOM 231 CE LYS A 15 14.287 9.452 10.848 1.00 0.00 C ATOM 232 NZ LYS A 15 13.522 9.215 12.104 1.00 0.00 N ATOM 0 H LYS A 15 17.072 6.788 7.678 1.00 0.00 H new ATOM 0 HA LYS A 15 14.390 6.834 8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.094 9.022 7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.582 9.272 8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.075 8.047 9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.622 9.734 9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.865 7.425 10.454 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.968 8.293 11.503 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.762 10.432 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.599 9.470 10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.810 9.964 12.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.047 8.291 12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.174 9.224 12.914 1.00 0.00 H new ATOM 246 N LEU A 16 14.841 6.911 5.308 1.00 0.00 N ATOM 247 CA LEU A 16 14.140 6.841 4.026 1.00 0.00 C ATOM 248 C LEU A 16 13.153 5.682 4.026 1.00 0.00 C ATOM 249 O LEU A 16 12.004 5.837 3.614 1.00 0.00 O ATOM 250 CB LEU A 16 15.133 6.685 2.869 1.00 0.00 C ATOM 251 CG LEU A 16 14.559 6.885 1.461 1.00 0.00 C ATOM 252 CD1 LEU A 16 13.821 8.212 1.368 1.00 0.00 C ATOM 253 CD2 LEU A 16 15.677 6.833 0.439 1.00 0.00 C ATOM 0 H LEU A 16 15.839 6.705 5.256 1.00 0.00 H new ATOM 0 HA LEU A 16 13.593 7.773 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.945 7.398 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.571 5.688 2.924 1.00 0.00 H new ATOM 0 HG LEU A 16 13.849 6.084 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.421 8.336 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.003 8.224 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.510 9.028 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.264 6.976 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.399 7.622 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.173 5.864 0.491 1.00 0.00 H new ATOM 265 N VAL A 17 13.604 4.523 4.501 1.00 0.00 N ATOM 266 CA VAL A 17 12.728 3.359 4.614 1.00 0.00 C ATOM 267 C VAL A 17 11.603 3.673 5.587 1.00 0.00 C ATOM 268 O VAL A 17 10.472 3.228 5.418 1.00 0.00 O ATOM 269 CB VAL A 17 13.481 2.080 5.078 1.00 0.00 C ATOM 270 CG1 VAL A 17 14.919 2.115 4.617 1.00 0.00 C ATOM 271 CG2 VAL A 17 13.395 1.874 6.588 1.00 0.00 C ATOM 0 H VAL A 17 14.563 4.365 4.811 1.00 0.00 H new ATOM 0 HA VAL A 17 12.331 3.151 3.620 1.00 0.00 H new ATOM 0 HB VAL A 17 12.987 1.226 4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.430 1.212 4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.951 2.169 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.415 2.989 5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 17 13.936 0.968 6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.837 2.730 7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.350 1.776 6.883 1.00 0.00 H new ATOM 281 N THR A 18 11.929 4.479 6.588 1.00 0.00 N ATOM 282 CA THR A 18 10.982 4.903 7.569 1.00 0.00 C ATOM 283 C THR A 18 9.906 5.763 6.917 1.00 0.00 C ATOM 284 O THR A 18 8.719 5.474 7.045 1.00 0.00 O ATOM 285 CB THR A 18 11.720 5.657 8.688 1.00 0.00 C ATOM 286 OG1 THR A 18 12.280 4.723 9.619 1.00 0.00 O ATOM 287 CG2 THR A 18 10.810 6.622 9.399 1.00 0.00 C ATOM 0 H THR A 18 12.868 4.851 6.729 1.00 0.00 H new ATOM 0 HA THR A 18 10.484 4.040 8.010 1.00 0.00 H new ATOM 0 HB THR A 18 12.522 6.236 8.231 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.750 5.210 10.328 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.366 7.136 10.183 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.427 7.353 8.687 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.977 6.077 9.843 1.00 0.00 H new ATOM 295 N GLU A 19 10.329 6.790 6.178 1.00 0.00 N ATOM 296 CA GLU A 19 9.400 7.627 5.428 1.00 0.00 C ATOM 297 C GLU A 19 8.527 6.759 4.549 1.00 0.00 C ATOM 298 O GLU A 19 7.313 6.922 4.504 1.00 0.00 O ATOM 299 CB GLU A 19 10.160 8.626 4.547 1.00 0.00 C ATOM 300 CG GLU A 19 11.035 9.584 5.339 1.00 0.00 C ATOM 301 CD GLU A 19 11.730 10.609 4.466 1.00 0.00 C ATOM 302 OE1 GLU A 19 11.215 11.742 4.355 1.00 0.00 O ATOM 303 OE2 GLU A 19 12.798 10.296 3.901 1.00 0.00 O ATOM 0 H GLU A 19 11.308 7.059 6.085 1.00 0.00 H new ATOM 0 HA GLU A 19 8.784 8.177 6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.782 8.076 3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.443 9.201 3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.423 10.100 6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.785 9.014 5.888 1.00 0.00 H new ATOM 310 N ASN A 20 9.180 5.818 3.894 1.00 0.00 N ATOM 311 CA ASN A 20 8.548 4.920 2.946 1.00 0.00 C ATOM 312 C ASN A 20 7.451 4.078 3.597 1.00 0.00 C ATOM 313 O ASN A 20 6.355 3.988 3.072 1.00 0.00 O ATOM 314 CB ASN A 20 9.634 4.038 2.329 1.00 0.00 C ATOM 315 CG ASN A 20 9.142 3.137 1.218 1.00 0.00 C ATOM 316 OD1 ASN A 20 8.081 3.353 0.637 1.00 0.00 O ATOM 317 ND2 ASN A 20 9.946 2.134 0.896 1.00 0.00 N ATOM 0 H ASN A 20 10.180 5.653 4.007 1.00 0.00 H new ATOM 0 HA ASN A 20 8.056 5.505 2.169 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.427 4.676 1.940 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.075 3.422 3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.693 1.502 0.137 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.817 1.994 1.408 1.00 0.00 H new ATOM 324 N GLU A 21 7.733 3.464 4.735 1.00 0.00 N ATOM 325 CA GLU A 21 6.745 2.624 5.398 1.00 0.00 C ATOM 326 C GLU A 21 5.629 3.433 6.059 1.00 0.00 C ATOM 327 O GLU A 21 4.465 3.031 6.021 1.00 0.00 O ATOM 328 CB GLU A 21 7.442 1.767 6.439 1.00 0.00 C ATOM 329 CG GLU A 21 8.530 0.908 5.844 1.00 0.00 C ATOM 330 CD GLU A 21 7.993 -0.365 5.220 1.00 0.00 C ATOM 331 OE1 GLU A 21 7.956 -0.459 3.977 1.00 0.00 O ATOM 332 OE2 GLU A 21 7.600 -1.282 5.973 1.00 0.00 O ATOM 0 H GLU A 21 8.630 3.529 5.217 1.00 0.00 H new ATOM 0 HA GLU A 21 6.276 2.002 4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.871 2.411 7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.708 1.129 6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.067 1.481 5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.251 0.652 6.621 1.00 0.00 H new ATOM 339 N GLN A 22 5.982 4.561 6.675 1.00 0.00 N ATOM 340 CA GLN A 22 5.000 5.369 7.411 1.00 0.00 C ATOM 341 C GLN A 22 3.821 5.746 6.532 1.00 0.00 C ATOM 342 O GLN A 22 2.667 5.441 6.846 1.00 0.00 O ATOM 343 CB GLN A 22 5.604 6.669 7.945 1.00 0.00 C ATOM 344 CG GLN A 22 6.773 6.486 8.894 1.00 0.00 C ATOM 345 CD GLN A 22 7.199 7.788 9.539 1.00 0.00 C ATOM 346 OE1 GLN A 22 8.082 8.515 8.873 1.00 0.00 O flip ATOM 347 NE2 GLN A 22 6.728 8.146 10.617 1.00 0.00 N flip ATOM 0 H GLN A 22 6.930 4.936 6.682 1.00 0.00 H new ATOM 0 HA GLN A 22 4.674 4.745 8.243 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.932 7.275 7.100 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.824 7.232 8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.500 5.771 9.670 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.616 6.060 8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.049 7.556 11.098 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.016 9.033 11.030 1.00 0.00 H new ATOM 356 N LEU A 23 4.120 6.401 5.424 1.00 0.00 N ATOM 357 CA LEU A 23 3.088 7.018 4.617 1.00 0.00 C ATOM 358 C LEU A 23 2.293 5.976 3.829 1.00 0.00 C ATOM 359 O LEU A 23 1.173 6.245 3.401 1.00 0.00 O ATOM 360 CB LEU A 23 3.698 8.113 3.730 1.00 0.00 C ATOM 361 CG LEU A 23 4.261 7.711 2.371 1.00 0.00 C ATOM 362 CD1 LEU A 23 4.922 8.912 1.725 1.00 0.00 C ATOM 363 CD2 LEU A 23 5.250 6.573 2.475 1.00 0.00 C ATOM 0 H LEU A 23 5.068 6.518 5.065 1.00 0.00 H new ATOM 0 HA LEU A 23 2.365 7.501 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.932 8.870 3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.499 8.590 4.294 1.00 0.00 H new ATOM 0 HG LEU A 23 3.431 7.362 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.325 8.627 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.186 9.705 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.731 9.269 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.623 6.323 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.083 6.872 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.758 5.702 2.908 1.00 0.00 H new ATOM 375 N GLN A 24 2.865 4.781 3.671 1.00 0.00 N ATOM 376 CA GLN A 24 2.127 3.632 3.140 1.00 0.00 C ATOM 377 C GLN A 24 0.843 3.423 3.935 1.00 0.00 C ATOM 378 O GLN A 24 -0.237 3.224 3.374 1.00 0.00 O ATOM 379 CB GLN A 24 2.970 2.366 3.234 1.00 0.00 C ATOM 380 CG GLN A 24 4.176 2.348 2.343 1.00 0.00 C ATOM 381 CD GLN A 24 4.914 1.037 2.427 1.00 0.00 C ATOM 382 OE1 GLN A 24 4.324 -0.018 2.665 1.00 0.00 O ATOM 383 NE2 GLN A 24 6.206 1.102 2.239 1.00 0.00 N ATOM 0 H GLN A 24 3.838 4.583 3.903 1.00 0.00 H new ATOM 0 HA GLN A 24 1.890 3.835 2.096 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.296 2.239 4.266 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.342 1.509 2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.869 2.527 1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.846 3.161 2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.649 2.000 2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.772 0.255 2.287 1.00 0.00 H new ATOM 392 N ARG A 25 0.989 3.489 5.250 1.00 0.00 N ATOM 393 CA ARG A 25 -0.113 3.321 6.170 1.00 0.00 C ATOM 394 C ARG A 25 -1.081 4.489 6.051 1.00 0.00 C ATOM 395 O ARG A 25 -2.292 4.303 5.986 1.00 0.00 O ATOM 396 CB ARG A 25 0.456 3.232 7.589 1.00 0.00 C ATOM 397 CG ARG A 25 -0.400 3.907 8.638 1.00 0.00 C ATOM 398 CD ARG A 25 0.414 4.271 9.869 1.00 0.00 C ATOM 399 NE ARG A 25 1.122 3.114 10.416 1.00 0.00 N ATOM 400 CZ ARG A 25 1.828 3.131 11.546 1.00 0.00 C ATOM 401 NH1 ARG A 25 1.926 4.246 12.263 1.00 0.00 N ATOM 402 NH2 ARG A 25 2.435 2.026 11.958 1.00 0.00 N ATOM 0 H ARG A 25 1.885 3.662 5.707 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.663 2.409 5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.579 2.182 7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.449 3.682 7.600 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.850 4.807 8.219 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.218 3.245 8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.133 5.049 9.612 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.246 4.686 10.631 1.00 0.00 H new ATOM 0 HE ARG A 25 1.072 2.236 9.899 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.459 5.097 11.949 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.468 4.251 13.127 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.360 1.169 11.411 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.977 2.034 12.822 1.00 0.00 H new ATOM 416 N LEU A 26 -0.525 5.689 5.994 1.00 0.00 N ATOM 417 CA LEU A 26 -1.311 6.915 5.968 1.00 0.00 C ATOM 418 C LEU A 26 -2.207 6.959 4.734 1.00 0.00 C ATOM 419 O LEU A 26 -3.340 7.437 4.794 1.00 0.00 O ATOM 420 CB LEU A 26 -0.367 8.113 6.021 1.00 0.00 C ATOM 421 CG LEU A 26 0.617 8.067 7.197 1.00 0.00 C ATOM 422 CD1 LEU A 26 1.585 9.235 7.152 1.00 0.00 C ATOM 423 CD2 LEU A 26 -0.133 8.048 8.522 1.00 0.00 C ATOM 0 H LEU A 26 0.483 5.842 5.964 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.967 6.947 6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.196 8.163 5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.957 9.027 6.087 1.00 0.00 H new ATOM 0 HG LEU A 26 1.196 7.148 7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.269 9.174 7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.154 9.201 6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.029 10.171 7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.582 8.015 9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.744 8.947 8.607 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.775 7.168 8.564 1.00 0.00 H new ATOM 435 N ILE A 27 -1.696 6.439 3.626 1.00 0.00 N ATOM 436 CA ILE A 27 -2.493 6.276 2.418 1.00 0.00 C ATOM 437 C ILE A 27 -3.661 5.341 2.680 1.00 0.00 C ATOM 438 O ILE A 27 -4.814 5.682 2.425 1.00 0.00 O ATOM 439 CB ILE A 27 -1.655 5.682 1.272 1.00 0.00 C ATOM 440 CG1 ILE A 27 -0.511 6.614 0.912 1.00 0.00 C ATOM 441 CG2 ILE A 27 -2.520 5.410 0.048 1.00 0.00 C ATOM 442 CD1 ILE A 27 0.453 5.994 -0.062 1.00 0.00 C ATOM 0 H ILE A 27 -0.730 6.122 3.539 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.852 7.265 2.132 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.240 4.734 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.915 7.531 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.024 6.894 1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.904 4.991 -0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.307 4.702 0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.969 6.342 -0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.251 6.702 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.881 5.091 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.073 5.738 -0.982 1.00 0.00 H new ATOM 454 N THR A 28 -3.341 4.167 3.209 1.00 0.00 N ATOM 455 CA THR A 28 -4.327 3.119 3.436 1.00 0.00 C ATOM 456 C THR A 28 -5.477 3.605 4.333 1.00 0.00 C ATOM 457 O THR A 28 -6.615 3.164 4.173 1.00 0.00 O ATOM 458 CB THR A 28 -3.657 1.848 4.027 1.00 0.00 C ATOM 459 OG1 THR A 28 -4.119 0.679 3.340 1.00 0.00 O ATOM 460 CG2 THR A 28 -3.925 1.692 5.518 1.00 0.00 C ATOM 0 H THR A 28 -2.394 3.915 3.492 1.00 0.00 H new ATOM 0 HA THR A 28 -4.758 2.859 2.469 1.00 0.00 H new ATOM 0 HB THR A 28 -2.582 1.964 3.889 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.689 -0.115 3.720 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.436 0.789 5.883 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.533 2.558 6.051 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.999 1.617 5.689 1.00 0.00 H new ATOM 468 N GLN A 29 -5.177 4.527 5.251 1.00 0.00 N ATOM 469 CA GLN A 29 -6.193 5.095 6.141 1.00 0.00 C ATOM 470 C GLN A 29 -7.239 5.840 5.338 1.00 0.00 C ATOM 471 O GLN A 29 -8.450 5.687 5.524 1.00 0.00 O ATOM 472 CB GLN A 29 -5.561 6.091 7.114 1.00 0.00 C ATOM 473 CG GLN A 29 -4.307 5.587 7.781 1.00 0.00 C ATOM 474 CD GLN A 29 -3.774 6.547 8.826 1.00 0.00 C ATOM 475 OE1 GLN A 29 -3.928 7.765 8.709 1.00 0.00 O ATOM 476 NE2 GLN A 29 -3.155 6.006 9.863 1.00 0.00 N ATOM 0 H GLN A 29 -4.238 4.897 5.398 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.648 4.269 6.689 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.330 7.011 6.577 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.291 6.346 7.882 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.511 4.624 8.249 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.541 5.418 7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.048 4.993 9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.784 6.602 10.603 1.00 0.00 H new ATOM 485 N LYS A 30 -6.742 6.668 4.453 1.00 0.00 N ATOM 486 CA LYS A 30 -7.591 7.544 3.668 1.00 0.00 C ATOM 487 C LYS A 30 -8.241 6.782 2.518 1.00 0.00 C ATOM 488 O LYS A 30 -9.429 6.955 2.254 1.00 0.00 O ATOM 489 CB LYS A 30 -6.783 8.735 3.149 1.00 0.00 C ATOM 490 CG LYS A 30 -5.874 9.354 4.204 1.00 0.00 C ATOM 491 CD LYS A 30 -6.609 9.591 5.519 1.00 0.00 C ATOM 492 CE LYS A 30 -5.677 10.137 6.589 1.00 0.00 C ATOM 493 NZ LYS A 30 -5.233 11.523 6.293 1.00 0.00 N ATOM 0 H LYS A 30 -5.746 6.757 4.254 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.388 7.921 4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.177 8.413 2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.469 9.497 2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.021 8.698 4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.479 10.300 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.429 10.291 5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.051 8.656 5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.184 10.118 7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.805 9.488 6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.669 11.884 7.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.654 11.525 5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.065 12.132 6.154 1.00 0.00 H new ATOM 507 N GLU A 31 -7.459 5.931 1.855 1.00 0.00 N ATOM 508 CA GLU A 31 -7.959 5.080 0.774 1.00 0.00 C ATOM 509 C GLU A 31 -9.266 4.391 1.148 1.00 0.00 C ATOM 510 O GLU A 31 -10.279 4.590 0.481 1.00 0.00 O ATOM 511 CB GLU A 31 -6.918 4.022 0.410 1.00 0.00 C ATOM 512 CG GLU A 31 -5.869 4.498 -0.576 1.00 0.00 C ATOM 513 CD GLU A 31 -6.427 4.673 -1.972 1.00 0.00 C ATOM 514 OE1 GLU A 31 -6.779 3.654 -2.604 1.00 0.00 O ATOM 515 OE2 GLU A 31 -6.505 5.819 -2.451 1.00 0.00 O ATOM 0 H GLU A 31 -6.465 5.812 2.050 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.149 5.727 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.420 3.689 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.428 3.155 -0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.454 5.445 -0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.048 3.782 -0.603 1.00 0.00 H new ATOM 522 N GLU A 32 -9.244 3.601 2.221 1.00 0.00 N ATOM 523 CA GLU A 32 -10.423 2.843 2.641 1.00 0.00 C ATOM 524 C GLU A 32 -11.648 3.745 2.770 1.00 0.00 C ATOM 525 O GLU A 32 -12.727 3.415 2.277 1.00 0.00 O ATOM 526 CB GLU A 32 -10.172 2.118 3.970 1.00 0.00 C ATOM 527 CG GLU A 32 -9.529 2.990 5.034 1.00 0.00 C ATOM 528 CD GLU A 32 -9.806 2.519 6.444 1.00 0.00 C ATOM 529 OE1 GLU A 32 -9.357 1.412 6.808 1.00 0.00 O ATOM 530 OE2 GLU A 32 -10.467 3.263 7.201 1.00 0.00 O ATOM 0 H GLU A 32 -8.425 3.469 2.814 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.618 2.101 1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.120 1.738 4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.533 1.254 3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.451 3.013 4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.890 4.012 4.923 1.00 0.00 H new ATOM 537 N LYS A 33 -11.470 4.893 3.409 1.00 0.00 N ATOM 538 CA LYS A 33 -12.577 5.805 3.646 1.00 0.00 C ATOM 539 C LYS A 33 -13.027 6.488 2.353 1.00 0.00 C ATOM 540 O LYS A 33 -14.225 6.608 2.094 1.00 0.00 O ATOM 541 CB LYS A 33 -12.181 6.837 4.701 1.00 0.00 C ATOM 542 CG LYS A 33 -11.838 6.212 6.043 1.00 0.00 C ATOM 543 CD LYS A 33 -11.401 7.252 7.059 1.00 0.00 C ATOM 544 CE LYS A 33 -11.035 6.611 8.390 1.00 0.00 C ATOM 545 NZ LYS A 33 -9.893 5.664 8.262 1.00 0.00 N ATOM 0 H LYS A 33 -10.572 5.213 3.771 1.00 0.00 H new ATOM 0 HA LYS A 33 -13.424 5.228 4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.323 7.406 4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.999 7.545 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.706 5.674 6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.042 5.479 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.544 7.803 6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.203 7.974 7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.780 7.390 9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.901 6.082 8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.319 5.693 9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.256 4.700 8.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.306 5.937 7.448 1.00 0.00 H new ATOM 559 N ILE A 34 -12.071 6.909 1.530 1.00 0.00 N ATOM 560 CA ILE A 34 -12.390 7.594 0.280 1.00 0.00 C ATOM 561 C ILE A 34 -13.093 6.655 -0.700 1.00 0.00 C ATOM 562 O ILE A 34 -13.951 7.085 -1.464 1.00 0.00 O ATOM 563 CB ILE A 34 -11.130 8.194 -0.387 1.00 0.00 C ATOM 564 CG1 ILE A 34 -10.558 9.301 0.487 1.00 0.00 C ATOM 565 CG2 ILE A 34 -11.463 8.739 -1.768 1.00 0.00 C ATOM 566 CD1 ILE A 34 -9.114 9.631 0.171 1.00 0.00 C ATOM 0 H ILE A 34 -11.073 6.789 1.704 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.064 8.412 0.535 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.386 7.405 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.163 10.199 0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.635 9.004 1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.564 9.157 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.844 7.933 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.220 9.518 -1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.770 10.428 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.497 8.745 0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.034 9.958 -0.866 1.00 0.00 H new ATOM 578 N ARG A 35 -12.745 5.372 -0.662 1.00 0.00 N ATOM 579 CA ARG A 35 -13.359 4.386 -1.553 1.00 0.00 C ATOM 580 C ARG A 35 -14.858 4.307 -1.315 1.00 0.00 C ATOM 581 O ARG A 35 -15.643 4.105 -2.242 1.00 0.00 O ATOM 582 CB ARG A 35 -12.729 3.008 -1.355 1.00 0.00 C ATOM 583 CG ARG A 35 -11.261 2.948 -1.758 1.00 0.00 C ATOM 584 CD ARG A 35 -11.066 3.292 -3.229 1.00 0.00 C ATOM 585 NE ARG A 35 -9.658 3.479 -3.576 1.00 0.00 N ATOM 586 CZ ARG A 35 -9.235 3.878 -4.774 1.00 0.00 C ATOM 587 NH1 ARG A 35 -10.108 4.100 -5.751 1.00 0.00 N ATOM 588 NH2 ARG A 35 -7.940 4.062 -4.989 1.00 0.00 N ATOM 0 H ARG A 35 -12.044 4.989 -0.027 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.182 4.707 -2.579 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.822 2.722 -0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.288 2.275 -1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.686 3.641 -1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.871 1.949 -1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.486 2.496 -3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.619 4.202 -3.463 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.958 3.293 -2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.105 3.965 -5.584 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.781 4.406 -6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.270 3.898 -4.238 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.614 4.368 -5.906 1.00 0.00 H new ATOM 602 N VAL A 36 -15.247 4.482 -0.066 1.00 0.00 N ATOM 603 CA VAL A 36 -16.649 4.496 0.302 1.00 0.00 C ATOM 604 C VAL A 36 -17.291 5.793 -0.174 1.00 0.00 C ATOM 605 O VAL A 36 -18.394 5.792 -0.720 1.00 0.00 O ATOM 606 CB VAL A 36 -16.809 4.359 1.825 1.00 0.00 C ATOM 607 CG1 VAL A 36 -18.268 4.157 2.207 1.00 0.00 C ATOM 608 CG2 VAL A 36 -15.942 3.219 2.334 1.00 0.00 C ATOM 0 H VAL A 36 -14.606 4.617 0.716 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.145 3.651 -0.175 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.478 5.284 2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -18.351 4.063 3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.854 5.012 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.646 3.250 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.059 3.127 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.246 2.288 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.897 3.423 2.099 1.00 0.00 H new ATOM 618 N LEU A 37 -16.571 6.892 0.012 1.00 0.00 N ATOM 619 CA LEU A 37 -17.006 8.199 -0.474 1.00 0.00 C ATOM 620 C LEU A 37 -17.162 8.184 -1.985 1.00 0.00 C ATOM 621 O LEU A 37 -18.019 8.863 -2.535 1.00 0.00 O ATOM 622 CB LEU A 37 -15.997 9.280 -0.076 1.00 0.00 C ATOM 623 CG LEU A 37 -16.220 9.934 1.289 1.00 0.00 C ATOM 624 CD1 LEU A 37 -17.356 10.944 1.225 1.00 0.00 C ATOM 625 CD2 LEU A 37 -16.503 8.884 2.352 1.00 0.00 C ATOM 0 H LEU A 37 -15.675 6.905 0.500 1.00 0.00 H new ATOM 0 HA LEU A 37 -17.971 8.424 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.000 8.840 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.011 10.060 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.306 10.461 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.496 11.396 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.112 11.720 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.274 10.440 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.658 9.373 3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.398 8.324 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.656 8.202 2.424 1.00 0.00 H new ATOM 637 N ARG A 38 -16.339 7.383 -2.638 1.00 0.00 N ATOM 638 CA ARG A 38 -16.295 7.305 -4.071 1.00 0.00 C ATOM 639 C ARG A 38 -17.574 6.676 -4.619 1.00 0.00 C ATOM 640 O ARG A 38 -18.082 7.089 -5.663 1.00 0.00 O ATOM 641 CB ARG A 38 -15.060 6.496 -4.452 1.00 0.00 C ATOM 642 CG ARG A 38 -15.051 6.043 -5.879 1.00 0.00 C ATOM 643 CD ARG A 38 -13.835 5.182 -6.176 1.00 0.00 C ATOM 644 NE ARG A 38 -13.626 4.990 -7.610 1.00 0.00 N ATOM 645 CZ ARG A 38 -13.289 3.829 -8.168 1.00 0.00 C ATOM 646 NH1 ARG A 38 -13.210 2.725 -7.434 1.00 0.00 N ATOM 647 NH2 ARG A 38 -13.043 3.768 -9.471 1.00 0.00 N ATOM 0 H ARG A 38 -15.676 6.763 -2.173 1.00 0.00 H new ATOM 0 HA ARG A 38 -16.230 8.302 -4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -14.171 7.099 -4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -14.995 5.623 -3.803 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -15.959 5.479 -6.090 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -15.055 6.911 -6.539 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.950 5.646 -5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.954 4.211 -5.696 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.746 5.797 -8.222 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.408 2.762 -6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.951 1.840 -7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.112 4.610 -10.043 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.785 2.879 -9.900 1.00 0.00 H new ATOM 661 N GLN A 39 -18.105 5.693 -3.899 1.00 0.00 N ATOM 662 CA GLN A 39 -19.355 5.060 -4.279 1.00 0.00 C ATOM 663 C GLN A 39 -20.519 5.947 -3.848 1.00 0.00 C ATOM 664 O GLN A 39 -21.599 5.919 -4.431 1.00 0.00 O ATOM 665 CB GLN A 39 -19.438 3.680 -3.630 1.00 0.00 C ATOM 666 CG GLN A 39 -20.250 3.652 -2.353 1.00 0.00 C ATOM 667 CD GLN A 39 -21.691 3.208 -2.563 1.00 0.00 C ATOM 668 OE1 GLN A 39 -21.922 2.348 -3.545 1.00 0.00 O flip ATOM 669 NE2 GLN A 39 -22.591 3.633 -1.837 1.00 0.00 N flip ATOM 0 H GLN A 39 -17.685 5.319 -3.048 1.00 0.00 H new ATOM 0 HA GLN A 39 -19.404 4.933 -5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.874 2.980 -4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.429 3.329 -3.415 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -19.771 2.980 -1.641 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.245 4.646 -1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -22.375 4.294 -1.091 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -23.552 3.324 -1.982 1.00 0.00 H new ATOM 678 N ARG A 40 -20.281 6.731 -2.809 1.00 0.00 N ATOM 679 CA ARG A 40 -21.242 7.713 -2.352 1.00 0.00 C ATOM 680 C ARG A 40 -21.416 8.808 -3.394 1.00 0.00 C ATOM 681 O ARG A 40 -22.531 9.253 -3.669 1.00 0.00 O ATOM 682 CB ARG A 40 -20.779 8.321 -1.039 1.00 0.00 C ATOM 683 CG ARG A 40 -20.950 7.405 0.158 1.00 0.00 C ATOM 684 CD ARG A 40 -20.564 8.112 1.445 1.00 0.00 C ATOM 685 NE ARG A 40 -21.228 9.409 1.564 1.00 0.00 N ATOM 686 CZ ARG A 40 -22.139 9.704 2.489 1.00 0.00 C ATOM 687 NH1 ARG A 40 -22.509 8.796 3.384 1.00 0.00 N ATOM 688 NH2 ARG A 40 -22.681 10.915 2.516 1.00 0.00 N ATOM 0 H ARG A 40 -19.420 6.703 -2.263 1.00 0.00 H new ATOM 0 HA ARG A 40 -22.201 7.217 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -19.728 8.594 -1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -21.334 9.242 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -21.986 7.071 0.219 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -20.335 6.515 0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.829 7.487 2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.483 8.251 1.475 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.977 10.136 0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -22.095 7.864 3.366 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.208 9.030 4.089 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -22.399 11.615 1.830 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.379 11.146 3.223 1.00 0.00 H new ATOM 702 N LEU A 41 -20.298 9.243 -3.970 1.00 0.00 N ATOM 703 CA LEU A 41 -20.323 10.218 -5.053 1.00 0.00 C ATOM 704 C LEU A 41 -21.131 9.683 -6.222 1.00 0.00 C ATOM 705 O LEU A 41 -21.741 10.448 -6.957 1.00 0.00 O ATOM 706 CB LEU A 41 -18.919 10.543 -5.555 1.00 0.00 C ATOM 707 CG LEU A 41 -17.898 10.962 -4.500 1.00 0.00 C ATOM 708 CD1 LEU A 41 -16.554 11.224 -5.154 1.00 0.00 C ATOM 709 CD2 LEU A 41 -18.371 12.191 -3.737 1.00 0.00 C ATOM 0 H LEU A 41 -19.363 8.934 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.777 11.125 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -18.532 9.667 -6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.997 11.343 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 41 -17.790 10.148 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.832 11.522 -4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -16.207 10.317 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -16.657 12.021 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.624 12.467 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.513 13.018 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.315 11.969 -3.239 1.00 0.00 H new ATOM 721 N VAL A 42 -21.107 8.367 -6.386 1.00 0.00 N ATOM 722 CA VAL A 42 -21.889 7.695 -7.415 1.00 0.00 C ATOM 723 C VAL A 42 -23.358 8.074 -7.295 1.00 0.00 C ATOM 724 O VAL A 42 -24.004 8.433 -8.278 1.00 0.00 O ATOM 725 CB VAL A 42 -21.745 6.162 -7.294 1.00 0.00 C ATOM 726 CG1 VAL A 42 -22.674 5.444 -8.255 1.00 0.00 C ATOM 727 CG2 VAL A 42 -20.305 5.738 -7.513 1.00 0.00 C ATOM 0 H VAL A 42 -20.547 7.737 -5.812 1.00 0.00 H new ATOM 0 HA VAL A 42 -21.512 8.013 -8.387 1.00 0.00 H new ATOM 0 HB VAL A 42 -22.033 5.878 -6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -22.549 4.367 -8.146 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -23.706 5.714 -8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -22.435 5.735 -9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -20.227 4.655 -7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -19.983 6.044 -8.509 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -19.669 6.211 -6.765 1.00 0.00 H new ATOM 737 N GLU A 43 -23.865 8.016 -6.074 1.00 0.00 N ATOM 738 CA GLU A 43 -25.257 8.341 -5.794 1.00 0.00 C ATOM 739 C GLU A 43 -25.523 9.832 -5.989 1.00 0.00 C ATOM 740 O GLU A 43 -26.662 10.249 -6.196 1.00 0.00 O ATOM 741 CB GLU A 43 -25.600 7.938 -4.363 1.00 0.00 C ATOM 742 CG GLU A 43 -25.235 6.501 -4.034 1.00 0.00 C ATOM 743 CD GLU A 43 -25.482 6.164 -2.579 1.00 0.00 C ATOM 744 OE1 GLU A 43 -26.368 5.335 -2.296 1.00 0.00 O ATOM 745 OE2 GLU A 43 -24.803 6.739 -1.708 1.00 0.00 O ATOM 0 H GLU A 43 -23.327 7.744 -5.251 1.00 0.00 H new ATOM 0 HA GLU A 43 -25.886 7.788 -6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -25.082 8.603 -3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -26.668 8.079 -4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -25.816 5.828 -4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -24.184 6.332 -4.270 1.00 0.00 H new ATOM 752 N ARG A 44 -24.467 10.632 -5.921 1.00 0.00 N ATOM 753 CA ARG A 44 -24.591 12.075 -6.094 1.00 0.00 C ATOM 754 C ARG A 44 -24.431 12.463 -7.555 1.00 0.00 C ATOM 755 O ARG A 44 -24.975 13.466 -8.014 1.00 0.00 O ATOM 756 CB ARG A 44 -23.537 12.819 -5.271 1.00 0.00 C ATOM 757 CG ARG A 44 -23.593 12.514 -3.793 1.00 0.00 C ATOM 758 CD ARG A 44 -22.981 13.633 -2.966 1.00 0.00 C ATOM 759 NE ARG A 44 -21.688 14.080 -3.484 1.00 0.00 N ATOM 760 CZ ARG A 44 -20.823 14.810 -2.780 1.00 0.00 C ATOM 761 NH1 ARG A 44 -21.093 15.126 -1.517 1.00 0.00 N ATOM 762 NH2 ARG A 44 -19.690 15.224 -3.335 1.00 0.00 N ATOM 0 H ARG A 44 -23.516 10.308 -5.748 1.00 0.00 H new ATOM 0 HA ARG A 44 -25.586 12.356 -5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -22.547 12.563 -5.648 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -23.666 13.892 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -24.629 12.363 -3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -23.064 11.582 -3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -23.669 14.478 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -22.857 13.293 -1.938 1.00 0.00 H new ATOM 0 HE ARG A 44 -21.434 13.819 -4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -21.962 14.810 -1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -20.431 15.685 -0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -19.479 14.984 -4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.031 15.782 -2.793 1.00 0.00 H new ATOM 776 N GLY A 45 -23.673 11.654 -8.270 1.00 0.00 N ATOM 777 CA GLY A 45 -23.305 11.979 -9.626 1.00 0.00 C ATOM 778 C GLY A 45 -22.227 13.040 -9.638 1.00 0.00 C ATOM 779 O GLY A 45 -22.303 14.016 -10.383 1.00 0.00 O ATOM 0 H GLY A 45 -23.302 10.767 -7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -22.950 11.085 -10.138 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -24.179 12.333 -10.172 1.00 0.00 H new ATOM 783 N ASP A 46 -21.220 12.842 -8.798 1.00 0.00 N ATOM 784 CA ASP A 46 -20.161 13.830 -8.605 1.00 0.00 C ATOM 785 C ASP A 46 -19.281 13.915 -9.845 1.00 0.00 C ATOM 786 O ASP A 46 -18.608 14.920 -10.080 1.00 0.00 O ATOM 787 CB ASP A 46 -19.316 13.453 -7.386 1.00 0.00 C ATOM 788 CG ASP A 46 -18.442 14.587 -6.885 1.00 0.00 C ATOM 789 OD1 ASP A 46 -17.257 14.659 -7.279 1.00 0.00 O ATOM 790 OD2 ASP A 46 -18.931 15.396 -6.067 1.00 0.00 O ATOM 0 H ASP A 46 -21.112 11.999 -8.234 1.00 0.00 H new ATOM 0 HA ASP A 46 -20.617 14.806 -8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -19.976 13.130 -6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -18.684 12.602 -7.640 1.00 0.00 H new ATOM 795 N ALA A 47 -19.319 12.861 -10.654 1.00 0.00 N ATOM 796 CA ALA A 47 -18.523 12.785 -11.874 1.00 0.00 C ATOM 797 C ALA A 47 -18.994 13.794 -12.917 1.00 0.00 C ATOM 798 O ALA A 47 -18.389 13.928 -13.982 1.00 0.00 O ATOM 799 CB ALA A 47 -18.569 11.375 -12.445 1.00 0.00 C ATOM 0 H ALA A 47 -19.899 12.040 -10.484 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.494 13.033 -11.615 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -17.971 11.331 -13.355 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -18.168 10.673 -11.714 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -19.601 11.109 -12.676 1.00 0.00 H new ATOM 805 N LYS A 48 -20.078 14.501 -12.613 1.00 0.00 N ATOM 806 CA LYS A 48 -20.582 15.549 -13.491 1.00 0.00 C ATOM 807 C LYS A 48 -19.605 16.717 -13.573 1.00 0.00 C ATOM 808 O LYS A 48 -19.683 17.537 -14.486 1.00 0.00 O ATOM 809 CB LYS A 48 -21.946 16.043 -13.008 1.00 0.00 C ATOM 810 CG LYS A 48 -23.060 15.034 -13.220 1.00 0.00 C ATOM 811 CD LYS A 48 -23.279 14.755 -14.696 1.00 0.00 C ATOM 812 CE LYS A 48 -24.259 13.624 -14.901 1.00 0.00 C ATOM 813 NZ LYS A 48 -24.538 13.384 -16.341 1.00 0.00 N ATOM 0 H LYS A 48 -20.625 14.366 -11.763 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.691 15.123 -14.488 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -21.882 16.285 -11.947 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -22.197 16.966 -13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -22.815 14.105 -12.705 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -23.983 15.410 -12.778 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -23.650 15.654 -15.187 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -22.328 14.505 -15.166 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -23.861 12.714 -14.452 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -25.191 13.854 -14.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -25.215 12.600 -16.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -24.941 14.244 -16.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -23.653 13.140 -16.830 1.00 0.00 H new ATOM 827 N GLY A 49 -18.693 16.794 -12.612 1.00 0.00 N ATOM 828 CA GLY A 49 -17.666 17.812 -12.659 1.00 0.00 C ATOM 829 C GLY A 49 -17.569 18.603 -11.373 1.00 0.00 C ATOM 830 O GLY A 49 -18.363 19.513 -11.135 1.00 0.00 O ATOM 0 H GLY A 49 -18.647 16.172 -11.805 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.704 17.343 -12.866 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -17.872 18.493 -13.485 1.00 0.00 H new ATOM 834 N THR A 50 -16.616 18.236 -10.530 1.00 0.00 N ATOM 835 CA THR A 50 -16.331 18.980 -9.313 1.00 0.00 C ATOM 836 C THR A 50 -14.871 18.788 -8.911 1.00 0.00 C ATOM 837 O THR A 50 -14.531 17.862 -8.172 1.00 0.00 O ATOM 838 CB THR A 50 -17.247 18.548 -8.146 1.00 0.00 C ATOM 839 OG1 THR A 50 -18.623 18.685 -8.529 1.00 0.00 O ATOM 840 CG2 THR A 50 -16.979 19.393 -6.905 1.00 0.00 C ATOM 0 H THR A 50 -16.022 17.419 -10.669 1.00 0.00 H new ATOM 0 HA THR A 50 -16.524 20.032 -9.522 1.00 0.00 H new ATOM 0 HB THR A 50 -17.033 17.505 -7.912 1.00 0.00 H new ATOM 0 HG1 THR A 50 -18.677 19.119 -9.406 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.635 19.071 -6.097 1.00 0.00 H new ATOM 0 HG22 THR A 50 -15.940 19.271 -6.599 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.170 20.442 -7.131 1.00 0.00 H new ATOM 848 N GLU A 51 -14.010 19.653 -9.420 1.00 0.00 N ATOM 849 CA GLU A 51 -12.602 19.620 -9.070 1.00 0.00 C ATOM 850 C GLU A 51 -12.162 21.002 -8.614 1.00 0.00 C ATOM 851 O GLU A 51 -12.541 22.010 -9.209 1.00 0.00 O ATOM 852 CB GLU A 51 -11.763 19.145 -10.260 1.00 0.00 C ATOM 853 CG GLU A 51 -10.307 18.900 -9.922 1.00 0.00 C ATOM 854 CD GLU A 51 -9.524 18.336 -11.088 1.00 0.00 C ATOM 855 OE1 GLU A 51 -9.515 17.101 -11.263 1.00 0.00 O ATOM 856 OE2 GLU A 51 -8.907 19.122 -11.833 1.00 0.00 O ATOM 0 H GLU A 51 -14.264 20.389 -10.079 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.451 18.914 -8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.195 18.225 -10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.822 19.889 -11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.850 19.836 -9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.245 18.210 -9.080 1.00 0.00 H new ATOM 863 N LEU A 52 -11.384 21.046 -7.550 1.00 0.00 N ATOM 864 CA LEU A 52 -10.965 22.296 -6.963 1.00 0.00 C ATOM 865 C LEU A 52 -9.439 22.351 -6.924 1.00 0.00 C ATOM 866 O LEU A 52 -8.784 21.947 -7.885 1.00 0.00 O ATOM 867 CB LEU A 52 -11.594 22.469 -5.565 1.00 0.00 C ATOM 868 CG LEU A 52 -11.496 21.272 -4.601 1.00 0.00 C ATOM 869 CD1 LEU A 52 -11.736 21.730 -3.173 1.00 0.00 C ATOM 870 CD2 LEU A 52 -12.511 20.187 -4.955 1.00 0.00 C ATOM 0 H LEU A 52 -11.028 20.218 -7.073 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.314 23.129 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.125 23.329 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.648 22.713 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.493 20.855 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.664 20.876 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.987 22.472 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.730 22.171 -3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.415 19.357 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -13.519 20.598 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.325 19.831 -5.968 1.00 0.00 H new ATOM 882 N ASN A 53 -8.873 22.836 -5.834 1.00 0.00 N ATOM 883 CA ASN A 53 -7.424 23.010 -5.747 1.00 0.00 C ATOM 884 C ASN A 53 -6.727 21.658 -5.630 1.00 0.00 C ATOM 885 O ASN A 53 -5.664 21.439 -6.215 1.00 0.00 O ATOM 886 CB ASN A 53 -7.046 23.898 -4.558 1.00 0.00 C ATOM 887 CG ASN A 53 -5.560 24.194 -4.499 1.00 0.00 C ATOM 888 OD1 ASN A 53 -4.781 23.423 -3.935 1.00 0.00 O ATOM 889 ND2 ASN A 53 -5.157 25.320 -5.063 1.00 0.00 N ATOM 0 H ASN A 53 -9.386 23.117 -4.998 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.093 23.501 -6.662 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.597 24.836 -4.621 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.352 23.410 -3.633 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.170 25.577 -5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.833 25.932 -5.520 1.00 0.00 H new TER 896 ASN A 53 ATOM 897 N GLY B 84 35.070 -13.967 -10.302 1.00 0.00 N ATOM 898 CA GLY B 84 33.679 -13.561 -10.385 1.00 0.00 C ATOM 899 C GLY B 84 33.417 -12.250 -9.665 1.00 0.00 C ATOM 900 O GLY B 84 32.825 -12.244 -8.584 1.00 0.00 O ATOM 0 HA2 GLY B 84 33.394 -13.461 -11.432 1.00 0.00 H new ATOM 0 HA3 GLY B 84 33.049 -14.341 -9.956 1.00 0.00 H new ATOM 904 N PRO B 85 33.837 -11.117 -10.245 1.00 0.00 N ATOM 905 CA PRO B 85 33.713 -9.809 -9.613 1.00 0.00 C ATOM 906 C PRO B 85 32.364 -9.155 -9.883 1.00 0.00 C ATOM 907 O PRO B 85 31.457 -9.791 -10.422 1.00 0.00 O ATOM 908 CB PRO B 85 34.837 -9.022 -10.273 1.00 0.00 C ATOM 909 CG PRO B 85 34.877 -9.554 -11.663 1.00 0.00 C ATOM 910 CD PRO B 85 34.462 -11.007 -11.578 1.00 0.00 C ATOM 0 HA PRO B 85 33.778 -9.860 -8.526 1.00 0.00 H new ATOM 0 HB2 PRO B 85 34.636 -7.951 -10.261 1.00 0.00 H new ATOM 0 HB3 PRO B 85 35.786 -9.174 -9.759 1.00 0.00 H new ATOM 0 HG2 PRO B 85 34.203 -8.995 -12.312 1.00 0.00 H new ATOM 0 HG3 PRO B 85 35.877 -9.460 -12.086 1.00 0.00 H new ATOM 0 HD2 PRO B 85 33.762 -11.270 -12.371 1.00 0.00 H new ATOM 0 HD3 PRO B 85 35.319 -11.674 -11.675 1.00 0.00 H new ATOM 918 N LEU B 86 32.244 -7.896 -9.479 1.00 0.00 N ATOM 919 CA LEU B 86 31.031 -7.111 -9.681 1.00 0.00 C ATOM 920 C LEU B 86 30.493 -7.222 -11.114 1.00 0.00 C ATOM 921 O LEU B 86 31.137 -6.816 -12.079 1.00 0.00 O ATOM 922 CB LEU B 86 31.239 -5.621 -9.286 1.00 0.00 C ATOM 923 CG LEU B 86 32.633 -4.960 -9.506 1.00 0.00 C ATOM 924 CD1 LEU B 86 33.647 -5.412 -8.461 1.00 0.00 C ATOM 925 CD2 LEU B 86 33.181 -5.214 -10.904 1.00 0.00 C ATOM 0 H LEU B 86 32.988 -7.388 -9.000 1.00 0.00 H new ATOM 0 HA LEU B 86 30.278 -7.537 -9.018 1.00 0.00 H new ATOM 0 HB2 LEU B 86 30.506 -5.031 -9.837 1.00 0.00 H new ATOM 0 HB3 LEU B 86 30.995 -5.526 -8.228 1.00 0.00 H new ATOM 0 HG LEU B 86 32.475 -3.887 -9.395 1.00 0.00 H new ATOM 0 HD11 LEU B 86 34.605 -4.928 -8.651 1.00 0.00 H new ATOM 0 HD12 LEU B 86 33.292 -5.138 -7.467 1.00 0.00 H new ATOM 0 HD13 LEU B 86 33.770 -6.494 -8.517 1.00 0.00 H new ATOM 0 HD21 LEU B 86 34.154 -4.733 -11.007 1.00 0.00 H new ATOM 0 HD22 LEU B 86 33.288 -6.287 -11.063 1.00 0.00 H new ATOM 0 HD23 LEU B 86 32.494 -4.804 -11.644 1.00 0.00 H new ATOM 937 N GLY B 87 29.311 -7.802 -11.250 1.00 0.00 N ATOM 938 CA GLY B 87 28.696 -7.890 -12.554 1.00 0.00 C ATOM 939 C GLY B 87 27.481 -6.999 -12.668 1.00 0.00 C ATOM 940 O GLY B 87 27.526 -5.963 -13.330 1.00 0.00 O ATOM 0 H GLY B 87 28.771 -8.210 -10.487 1.00 0.00 H new ATOM 0 HA2 GLY B 87 29.423 -7.611 -13.317 1.00 0.00 H new ATOM 0 HA3 GLY B 87 28.408 -8.923 -12.750 1.00 0.00 H new ATOM 944 N SER B 88 26.392 -7.393 -12.028 1.00 0.00 N ATOM 945 CA SER B 88 25.190 -6.577 -12.017 1.00 0.00 C ATOM 946 C SER B 88 24.868 -6.068 -10.614 1.00 0.00 C ATOM 947 O SER B 88 24.484 -4.914 -10.437 1.00 0.00 O ATOM 948 CB SER B 88 24.013 -7.364 -12.588 1.00 0.00 C ATOM 949 OG SER B 88 24.272 -7.758 -13.928 1.00 0.00 O ATOM 0 H SER B 88 26.316 -8.269 -11.511 1.00 0.00 H new ATOM 0 HA SER B 88 25.371 -5.706 -12.646 1.00 0.00 H new ATOM 0 HB2 SER B 88 23.827 -8.246 -11.974 1.00 0.00 H new ATOM 0 HB3 SER B 88 23.110 -6.754 -12.552 1.00 0.00 H new ATOM 0 HG SER B 88 23.506 -8.262 -14.274 1.00 0.00 H new ATOM 955 N ARG B 89 25.044 -6.928 -9.618 1.00 0.00 N ATOM 956 CA ARG B 89 24.637 -6.610 -8.256 1.00 0.00 C ATOM 957 C ARG B 89 25.623 -5.656 -7.594 1.00 0.00 C ATOM 958 O ARG B 89 25.252 -4.855 -6.736 1.00 0.00 O ATOM 959 CB ARG B 89 24.503 -7.889 -7.424 1.00 0.00 C ATOM 960 CG ARG B 89 23.878 -7.668 -6.056 1.00 0.00 C ATOM 961 CD ARG B 89 22.425 -7.243 -6.176 1.00 0.00 C ATOM 962 NE ARG B 89 21.817 -6.982 -4.874 1.00 0.00 N ATOM 963 CZ ARG B 89 20.532 -7.201 -4.595 1.00 0.00 C ATOM 964 NH1 ARG B 89 19.731 -7.747 -5.506 1.00 0.00 N ATOM 965 NH2 ARG B 89 20.053 -6.883 -3.400 1.00 0.00 N ATOM 0 H ARG B 89 25.466 -7.850 -9.728 1.00 0.00 H new ATOM 0 HA ARG B 89 23.667 -6.116 -8.305 1.00 0.00 H new ATOM 0 HB2 ARG B 89 23.900 -8.609 -7.977 1.00 0.00 H new ATOM 0 HB3 ARG B 89 25.490 -8.332 -7.295 1.00 0.00 H new ATOM 0 HG2 ARG B 89 23.944 -8.585 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG B 89 24.439 -6.905 -5.516 1.00 0.00 H new ATOM 0 HD2 ARG B 89 22.360 -6.346 -6.792 1.00 0.00 H new ATOM 0 HD3 ARG B 89 21.861 -8.023 -6.689 1.00 0.00 H new ATOM 0 HE ARG B 89 22.411 -6.610 -4.133 1.00 0.00 H new ATOM 0 HH11 ARG B 89 20.099 -8.000 -6.423 1.00 0.00 H new ATOM 0 HH12 ARG B 89 18.749 -7.913 -5.288 1.00 0.00 H new ATOM 0 HH21 ARG B 89 20.667 -6.472 -2.697 1.00 0.00 H new ATOM 0 HH22 ARG B 89 19.070 -7.049 -3.184 1.00 0.00 H new ATOM 979 N ARG B 90 26.888 -5.778 -8.006 1.00 0.00 N ATOM 980 CA ARG B 90 27.978 -4.896 -7.573 1.00 0.00 C ATOM 981 C ARG B 90 28.055 -4.791 -6.054 1.00 0.00 C ATOM 982 O ARG B 90 28.472 -3.760 -5.525 1.00 0.00 O ATOM 983 CB ARG B 90 27.819 -3.496 -8.174 1.00 0.00 C ATOM 984 CG ARG B 90 27.630 -3.484 -9.681 1.00 0.00 C ATOM 985 CD ARG B 90 27.488 -2.065 -10.203 1.00 0.00 C ATOM 986 NE ARG B 90 27.292 -2.026 -11.651 1.00 0.00 N ATOM 987 CZ ARG B 90 28.263 -1.763 -12.525 1.00 0.00 C ATOM 988 NH1 ARG B 90 29.515 -1.606 -12.104 1.00 0.00 N ATOM 989 NH2 ARG B 90 27.983 -1.674 -13.820 1.00 0.00 N ATOM 0 H ARG B 90 27.189 -6.502 -8.659 1.00 0.00 H new ATOM 0 HA ARG B 90 28.906 -5.341 -7.933 1.00 0.00 H new ATOM 0 HB2 ARG B 90 26.963 -3.008 -7.708 1.00 0.00 H new ATOM 0 HB3 ARG B 90 28.699 -2.903 -7.925 1.00 0.00 H new ATOM 0 HG2 ARG B 90 28.481 -3.968 -10.161 1.00 0.00 H new ATOM 0 HG3 ARG B 90 26.744 -4.062 -9.944 1.00 0.00 H new ATOM 0 HD2 ARG B 90 26.644 -1.581 -9.711 1.00 0.00 H new ATOM 0 HD3 ARG B 90 28.379 -1.493 -9.943 1.00 0.00 H new ATOM 0 HE ARG B 90 26.357 -2.211 -12.014 1.00 0.00 H new ATOM 0 HH11 ARG B 90 29.733 -1.687 -11.111 1.00 0.00 H new ATOM 0 HH12 ARG B 90 30.257 -1.405 -12.774 1.00 0.00 H new ATOM 0 HH21 ARG B 90 27.025 -1.807 -14.145 1.00 0.00 H new ATOM 0 HH22 ARG B 90 28.726 -1.473 -14.490 1.00 0.00 H new ATOM 1003 N PHE B 91 27.648 -5.868 -5.380 1.00 0.00 N ATOM 1004 CA PHE B 91 27.600 -5.940 -3.919 1.00 0.00 C ATOM 1005 C PHE B 91 27.006 -4.669 -3.296 1.00 0.00 C ATOM 1006 O PHE B 91 25.789 -4.458 -3.327 1.00 0.00 O ATOM 1007 CB PHE B 91 28.992 -6.244 -3.341 1.00 0.00 C ATOM 1008 CG PHE B 91 28.997 -6.506 -1.856 1.00 0.00 C ATOM 1009 CD1 PHE B 91 28.336 -7.605 -1.331 1.00 0.00 C ATOM 1010 CD2 PHE B 91 29.663 -5.654 -0.990 1.00 0.00 C ATOM 1011 CE1 PHE B 91 28.341 -7.847 0.031 1.00 0.00 C ATOM 1012 CE2 PHE B 91 29.669 -5.890 0.371 1.00 0.00 C ATOM 1013 CZ PHE B 91 29.007 -6.987 0.882 1.00 0.00 C ATOM 0 H PHE B 91 27.339 -6.725 -5.839 1.00 0.00 H new ATOM 0 HA PHE B 91 26.933 -6.762 -3.657 1.00 0.00 H new ATOM 0 HB2 PHE B 91 29.405 -7.113 -3.854 1.00 0.00 H new ATOM 0 HB3 PHE B 91 29.653 -5.404 -3.553 1.00 0.00 H new ATOM 0 HD1 PHE B 91 27.812 -8.279 -1.992 1.00 0.00 H new ATOM 0 HD2 PHE B 91 30.184 -4.794 -1.384 1.00 0.00 H new ATOM 0 HE1 PHE B 91 27.824 -8.708 0.429 1.00 0.00 H new ATOM 0 HE2 PHE B 91 30.191 -5.216 1.034 1.00 0.00 H new ATOM 0 HZ PHE B 91 29.010 -7.173 1.946 1.00 0.00 H new ATOM 1023 N VAL B 92 27.866 -3.809 -2.765 1.00 0.00 N ATOM 1024 CA VAL B 92 27.416 -2.648 -2.016 1.00 0.00 C ATOM 1025 C VAL B 92 27.248 -1.438 -2.927 1.00 0.00 C ATOM 1026 O VAL B 92 26.515 -0.519 -2.605 1.00 0.00 O ATOM 1027 CB VAL B 92 28.395 -2.307 -0.863 1.00 0.00 C ATOM 1028 CG1 VAL B 92 29.731 -1.815 -1.400 1.00 0.00 C ATOM 1029 CG2 VAL B 92 27.787 -1.287 0.090 1.00 0.00 C ATOM 0 H VAL B 92 28.879 -3.896 -2.841 1.00 0.00 H new ATOM 0 HA VAL B 92 26.447 -2.899 -1.585 1.00 0.00 H new ATOM 0 HB VAL B 92 28.576 -3.225 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL B 92 30.395 -1.584 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL B 92 30.182 -2.590 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL B 92 29.574 -0.918 -1.998 1.00 0.00 H new ATOM 0 HG21 VAL B 92 28.496 -1.067 0.888 1.00 0.00 H new ATOM 0 HG22 VAL B 92 27.559 -0.371 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL B 92 26.871 -1.692 0.520 1.00 0.00 H new ATOM 1039 N VAL B 93 27.907 -1.454 -4.076 1.00 0.00 N ATOM 1040 CA VAL B 93 27.873 -0.312 -4.979 1.00 0.00 C ATOM 1041 C VAL B 93 26.473 -0.104 -5.544 1.00 0.00 C ATOM 1042 O VAL B 93 25.902 0.983 -5.421 1.00 0.00 O ATOM 1043 CB VAL B 93 28.878 -0.466 -6.134 1.00 0.00 C ATOM 1044 CG1 VAL B 93 28.820 0.730 -7.075 1.00 0.00 C ATOM 1045 CG2 VAL B 93 30.283 -0.648 -5.589 1.00 0.00 C ATOM 0 H VAL B 93 28.469 -2.240 -4.404 1.00 0.00 H new ATOM 0 HA VAL B 93 28.156 0.562 -4.393 1.00 0.00 H new ATOM 0 HB VAL B 93 28.606 -1.354 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL B 93 29.541 0.594 -7.881 1.00 0.00 H new ATOM 0 HG12 VAL B 93 27.818 0.815 -7.495 1.00 0.00 H new ATOM 0 HG13 VAL B 93 29.060 1.639 -6.523 1.00 0.00 H new ATOM 0 HG21 VAL B 93 30.983 -0.756 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL B 93 30.557 0.222 -4.992 1.00 0.00 H new ATOM 0 HG23 VAL B 93 30.318 -1.541 -4.965 1.00 0.00 H new ATOM 1055 N ASP B 94 25.905 -1.151 -6.133 1.00 0.00 N ATOM 1056 CA ASP B 94 24.580 -1.036 -6.733 1.00 0.00 C ATOM 1057 C ASP B 94 23.532 -0.914 -5.646 1.00 0.00 C ATOM 1058 O ASP B 94 22.758 0.027 -5.639 1.00 0.00 O ATOM 1059 CB ASP B 94 24.237 -2.239 -7.603 1.00 0.00 C ATOM 1060 CG ASP B 94 23.462 -1.877 -8.850 1.00 0.00 C ATOM 1061 OD1 ASP B 94 22.345 -2.411 -9.031 1.00 0.00 O ATOM 1062 OD2 ASP B 94 23.962 -1.072 -9.659 1.00 0.00 O ATOM 0 H ASP B 94 26.332 -2.074 -6.208 1.00 0.00 H new ATOM 0 HA ASP B 94 24.590 -0.146 -7.363 1.00 0.00 H new ATOM 0 HB2 ASP B 94 25.159 -2.744 -7.891 1.00 0.00 H new ATOM 0 HB3 ASP B 94 23.655 -2.949 -7.015 1.00 0.00 H new ATOM 1067 N ASP B 95 23.543 -1.846 -4.693 1.00 0.00 N ATOM 1068 CA ASP B 95 22.496 -1.905 -3.667 1.00 0.00 C ATOM 1069 C ASP B 95 22.504 -0.650 -2.796 1.00 0.00 C ATOM 1070 O ASP B 95 21.572 -0.394 -2.047 1.00 0.00 O ATOM 1071 CB ASP B 95 22.673 -3.142 -2.787 1.00 0.00 C ATOM 1072 CG ASP B 95 21.392 -3.563 -2.092 1.00 0.00 C ATOM 1073 OD1 ASP B 95 20.408 -3.882 -2.791 1.00 0.00 O ATOM 1074 OD2 ASP B 95 21.382 -3.622 -0.843 1.00 0.00 O ATOM 0 H ASP B 95 24.259 -2.567 -4.608 1.00 0.00 H new ATOM 0 HA ASP B 95 21.536 -1.965 -4.180 1.00 0.00 H new ATOM 0 HB2 ASP B 95 23.036 -3.968 -3.399 1.00 0.00 H new ATOM 0 HB3 ASP B 95 23.438 -2.941 -2.037 1.00 0.00 H new ATOM 1079 N ARG B 96 23.550 0.144 -2.913 1.00 0.00 N ATOM 1080 CA ARG B 96 23.634 1.385 -2.165 1.00 0.00 C ATOM 1081 C ARG B 96 22.852 2.452 -2.899 1.00 0.00 C ATOM 1082 O ARG B 96 21.869 2.968 -2.391 1.00 0.00 O ATOM 1083 CB ARG B 96 25.086 1.826 -1.996 1.00 0.00 C ATOM 1084 CG ARG B 96 25.286 2.976 -1.026 1.00 0.00 C ATOM 1085 CD ARG B 96 26.762 3.306 -0.882 1.00 0.00 C ATOM 1086 NE ARG B 96 27.014 4.324 0.133 1.00 0.00 N ATOM 1087 CZ ARG B 96 28.235 4.722 0.494 1.00 0.00 C ATOM 1088 NH1 ARG B 96 29.306 4.225 -0.117 1.00 0.00 N ATOM 1089 NH2 ARG B 96 28.381 5.629 1.449 1.00 0.00 N ATOM 0 H ARG B 96 24.351 -0.046 -3.516 1.00 0.00 H new ATOM 0 HA ARG B 96 23.214 1.230 -1.171 1.00 0.00 H new ATOM 0 HB2 ARG B 96 25.674 0.974 -1.655 1.00 0.00 H new ATOM 0 HB3 ARG B 96 25.480 2.116 -2.970 1.00 0.00 H new ATOM 0 HG2 ARG B 96 24.745 3.854 -1.378 1.00 0.00 H new ATOM 0 HG3 ARG B 96 24.870 2.714 -0.053 1.00 0.00 H new ATOM 0 HD2 ARG B 96 27.310 2.399 -0.625 1.00 0.00 H new ATOM 0 HD3 ARG B 96 27.148 3.651 -1.841 1.00 0.00 H new ATOM 0 HE ARG B 96 26.212 4.755 0.592 1.00 0.00 H new ATOM 0 HH11 ARG B 96 29.195 3.538 -0.863 1.00 0.00 H new ATOM 0 HH12 ARG B 96 30.239 4.530 0.160 1.00 0.00 H new ATOM 0 HH21 ARG B 96 27.560 6.023 1.908 1.00 0.00 H new ATOM 0 HH22 ARG B 96 29.315 5.933 1.725 1.00 0.00 H new ATOM 1103 N ARG B 97 23.276 2.739 -4.120 1.00 0.00 N ATOM 1104 CA ARG B 97 22.625 3.744 -4.944 1.00 0.00 C ATOM 1105 C ARG B 97 21.245 3.271 -5.372 1.00 0.00 C ATOM 1106 O ARG B 97 20.249 3.953 -5.161 1.00 0.00 O ATOM 1107 CB ARG B 97 23.494 4.044 -6.177 1.00 0.00 C ATOM 1108 CG ARG B 97 22.950 5.150 -7.073 1.00 0.00 C ATOM 1109 CD ARG B 97 21.938 4.641 -8.099 1.00 0.00 C ATOM 1110 NE ARG B 97 21.220 5.757 -8.712 1.00 0.00 N ATOM 1111 CZ ARG B 97 20.479 5.684 -9.815 1.00 0.00 C ATOM 1112 NH1 ARG B 97 20.313 4.537 -10.453 1.00 0.00 N ATOM 1113 NH2 ARG B 97 19.901 6.782 -10.284 1.00 0.00 N ATOM 0 H ARG B 97 24.074 2.286 -4.564 1.00 0.00 H new ATOM 0 HA ARG B 97 22.506 4.657 -4.360 1.00 0.00 H new ATOM 0 HB2 ARG B 97 24.494 4.321 -5.843 1.00 0.00 H new ATOM 0 HB3 ARG B 97 23.596 3.132 -6.766 1.00 0.00 H new ATOM 0 HG2 ARG B 97 22.479 5.914 -6.454 1.00 0.00 H new ATOM 0 HG3 ARG B 97 23.779 5.629 -7.594 1.00 0.00 H new ATOM 0 HD2 ARG B 97 22.451 4.065 -8.869 1.00 0.00 H new ATOM 0 HD3 ARG B 97 21.230 3.968 -7.616 1.00 0.00 H new ATOM 0 HE ARG B 97 21.293 6.667 -8.257 1.00 0.00 H new ATOM 0 HH11 ARG B 97 20.757 3.689 -10.101 1.00 0.00 H new ATOM 0 HH12 ARG B 97 19.741 4.501 -11.297 1.00 0.00 H new ATOM 0 HH21 ARG B 97 20.027 7.671 -9.800 1.00 0.00 H new ATOM 0 HH22 ARG B 97 19.331 6.737 -11.129 1.00 0.00 H new ATOM 1127 N GLU B 98 21.210 2.089 -5.953 1.00 0.00 N ATOM 1128 CA GLU B 98 20.015 1.550 -6.575 1.00 0.00 C ATOM 1129 C GLU B 98 18.891 1.312 -5.578 1.00 0.00 C ATOM 1130 O GLU B 98 17.751 1.723 -5.804 1.00 0.00 O ATOM 1131 CB GLU B 98 20.359 0.247 -7.272 1.00 0.00 C ATOM 1132 CG GLU B 98 21.191 0.451 -8.513 1.00 0.00 C ATOM 1133 CD GLU B 98 20.472 1.233 -9.589 1.00 0.00 C ATOM 1134 OE1 GLU B 98 19.254 1.028 -9.781 1.00 0.00 O ATOM 1135 OE2 GLU B 98 21.129 2.056 -10.256 1.00 0.00 O ATOM 0 H GLU B 98 22.018 1.468 -6.008 1.00 0.00 H new ATOM 0 HA GLU B 98 19.658 2.289 -7.292 1.00 0.00 H new ATOM 0 HB2 GLU B 98 20.899 -0.399 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU B 98 19.438 -0.272 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU B 98 22.109 0.973 -8.245 1.00 0.00 H new ATOM 0 HG3 GLU B 98 21.482 -0.521 -8.912 1.00 0.00 H new ATOM 1142 N LEU B 99 19.218 0.652 -4.476 1.00 0.00 N ATOM 1143 CA LEU B 99 18.215 0.260 -3.502 1.00 0.00 C ATOM 1144 C LEU B 99 17.652 1.485 -2.783 1.00 0.00 C ATOM 1145 O LEU B 99 16.439 1.630 -2.677 1.00 0.00 O ATOM 1146 CB LEU B 99 18.826 -0.760 -2.532 1.00 0.00 C ATOM 1147 CG LEU B 99 17.926 -1.324 -1.428 1.00 0.00 C ATOM 1148 CD1 LEU B 99 17.988 -0.435 -0.205 1.00 0.00 C ATOM 1149 CD2 LEU B 99 16.491 -1.491 -1.906 1.00 0.00 C ATOM 0 H LEU B 99 20.171 0.378 -4.236 1.00 0.00 H new ATOM 0 HA LEU B 99 17.374 -0.215 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU B 99 19.201 -1.598 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU B 99 19.689 -0.294 -2.056 1.00 0.00 H new ATOM 0 HG LEU B 99 18.294 -2.315 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU B 99 17.345 -0.844 0.575 1.00 0.00 H new ATOM 0 HD12 LEU B 99 19.014 -0.388 0.159 1.00 0.00 H new ATOM 0 HD13 LEU B 99 17.649 0.567 -0.466 1.00 0.00 H new ATOM 0 HD21 LEU B 99 15.882 -1.893 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU B 99 16.094 -0.523 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU B 99 16.467 -2.177 -2.753 1.00 0.00 H new ATOM 1161 N GLN B 100 18.516 2.388 -2.326 1.00 0.00 N ATOM 1162 CA GLN B 100 18.040 3.593 -1.646 1.00 0.00 C ATOM 1163 C GLN B 100 17.213 4.440 -2.608 1.00 0.00 C ATOM 1164 O GLN B 100 16.259 5.110 -2.213 1.00 0.00 O ATOM 1165 CB GLN B 100 19.203 4.429 -1.098 1.00 0.00 C ATOM 1166 CG GLN B 100 20.037 5.121 -2.170 1.00 0.00 C ATOM 1167 CD GLN B 100 21.060 6.081 -1.593 1.00 0.00 C ATOM 1168 OE1 GLN B 100 20.847 6.676 -0.543 1.00 0.00 O ATOM 1169 NE2 GLN B 100 22.179 6.239 -2.282 1.00 0.00 N ATOM 0 H GLN B 100 19.530 2.313 -2.411 1.00 0.00 H new ATOM 0 HA GLN B 100 17.423 3.277 -0.805 1.00 0.00 H new ATOM 0 HB2 GLN B 100 18.805 5.184 -0.420 1.00 0.00 H new ATOM 0 HB3 GLN B 100 19.854 3.783 -0.509 1.00 0.00 H new ATOM 0 HG2 GLN B 100 20.550 4.367 -2.767 1.00 0.00 H new ATOM 0 HG3 GLN B 100 19.375 5.665 -2.844 1.00 0.00 H new ATOM 0 HE21 GLN B 100 22.319 5.725 -3.152 1.00 0.00 H new ATOM 0 HE22 GLN B 100 22.901 6.874 -1.943 1.00 0.00 H new ATOM 1178 N TYR B 101 17.586 4.374 -3.880 1.00 0.00 N ATOM 1179 CA TYR B 101 16.950 5.162 -4.924 1.00 0.00 C ATOM 1180 C TYR B 101 15.485 4.780 -5.089 1.00 0.00 C ATOM 1181 O TYR B 101 14.642 5.636 -5.330 1.00 0.00 O ATOM 1182 CB TYR B 101 17.690 4.971 -6.249 1.00 0.00 C ATOM 1183 CG TYR B 101 17.406 6.047 -7.269 1.00 0.00 C ATOM 1184 CD1 TYR B 101 18.056 7.272 -7.198 1.00 0.00 C ATOM 1185 CD2 TYR B 101 16.502 5.842 -8.303 1.00 0.00 C ATOM 1186 CE1 TYR B 101 17.813 8.261 -8.126 1.00 0.00 C ATOM 1187 CE2 TYR B 101 16.253 6.830 -9.237 1.00 0.00 C ATOM 1188 CZ TYR B 101 16.913 8.037 -9.143 1.00 0.00 C ATOM 1189 OH TYR B 101 16.678 9.024 -10.073 1.00 0.00 O ATOM 0 H TYR B 101 18.338 3.772 -4.215 1.00 0.00 H new ATOM 0 HA TYR B 101 16.997 6.211 -4.631 1.00 0.00 H new ATOM 0 HB2 TYR B 101 18.762 4.943 -6.054 1.00 0.00 H new ATOM 0 HB3 TYR B 101 17.417 4.004 -6.670 1.00 0.00 H new ATOM 0 HD1 TYR B 101 18.764 7.452 -6.402 1.00 0.00 H new ATOM 0 HD2 TYR B 101 15.986 4.896 -8.379 1.00 0.00 H new ATOM 0 HE1 TYR B 101 18.327 9.208 -8.056 1.00 0.00 H new ATOM 0 HE2 TYR B 101 15.546 6.658 -10.035 1.00 0.00 H new ATOM 0 HH TYR B 101 16.018 8.709 -10.725 1.00 0.00 H new ATOM 1199 N ARG B 102 15.180 3.496 -4.949 1.00 0.00 N ATOM 1200 CA ARG B 102 13.810 3.030 -5.123 1.00 0.00 C ATOM 1201 C ARG B 102 12.970 3.321 -3.882 1.00 0.00 C ATOM 1202 O ARG B 102 11.747 3.390 -3.957 1.00 0.00 O ATOM 1203 CB ARG B 102 13.765 1.537 -5.470 1.00 0.00 C ATOM 1204 CG ARG B 102 14.252 0.618 -4.363 1.00 0.00 C ATOM 1205 CD ARG B 102 14.076 -0.844 -4.739 1.00 0.00 C ATOM 1206 NE ARG B 102 12.672 -1.179 -4.959 1.00 0.00 N ATOM 1207 CZ ARG B 102 12.142 -2.379 -4.731 1.00 0.00 C ATOM 1208 NH1 ARG B 102 12.905 -3.382 -4.315 1.00 0.00 N ATOM 1209 NH2 ARG B 102 10.843 -2.576 -4.921 1.00 0.00 N ATOM 0 H ARG B 102 15.854 2.766 -4.718 1.00 0.00 H new ATOM 0 HA ARG B 102 13.382 3.580 -5.961 1.00 0.00 H new ATOM 0 HB2 ARG B 102 12.740 1.267 -5.725 1.00 0.00 H new ATOM 0 HB3 ARG B 102 14.370 1.365 -6.360 1.00 0.00 H new ATOM 0 HG2 ARG B 102 15.304 0.818 -4.158 1.00 0.00 H new ATOM 0 HG3 ARG B 102 13.702 0.828 -3.445 1.00 0.00 H new ATOM 0 HD2 ARG B 102 14.647 -1.059 -5.642 1.00 0.00 H new ATOM 0 HD3 ARG B 102 14.481 -1.475 -3.948 1.00 0.00 H new ATOM 0 HE ARG B 102 12.057 -0.445 -5.311 1.00 0.00 H new ATOM 0 HH11 ARG B 102 13.904 -3.236 -4.168 1.00 0.00 H new ATOM 0 HH12 ARG B 102 12.493 -4.299 -4.142 1.00 0.00 H new ATOM 0 HH21 ARG B 102 10.252 -1.809 -5.241 1.00 0.00 H new ATOM 0 HH22 ARG B 102 10.436 -3.495 -4.747 1.00 0.00 H new ATOM 1223 N VAL B 103 13.627 3.507 -2.746 1.00 0.00 N ATOM 1224 CA VAL B 103 12.922 3.794 -1.502 1.00 0.00 C ATOM 1225 C VAL B 103 12.423 5.244 -1.496 1.00 0.00 C ATOM 1226 O VAL B 103 11.298 5.518 -1.075 1.00 0.00 O ATOM 1227 CB VAL B 103 13.823 3.541 -0.271 1.00 0.00 C ATOM 1228 CG1 VAL B 103 13.025 3.528 1.016 1.00 0.00 C ATOM 1229 CG2 VAL B 103 14.601 2.241 -0.412 1.00 0.00 C ATOM 0 H VAL B 103 14.642 3.465 -2.658 1.00 0.00 H new ATOM 0 HA VAL B 103 12.068 3.119 -1.441 1.00 0.00 H new ATOM 0 HB VAL B 103 14.531 4.369 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL B 103 13.694 3.347 1.857 1.00 0.00 H new ATOM 0 HG12 VAL B 103 12.529 4.490 1.147 1.00 0.00 H new ATOM 0 HG13 VAL B 103 12.276 2.737 0.972 1.00 0.00 H new ATOM 0 HG21 VAL B 103 15.225 2.093 0.470 1.00 0.00 H new ATOM 0 HG22 VAL B 103 13.904 1.408 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL B 103 15.233 2.289 -1.299 1.00 0.00 H new ATOM 1239 N GLU B 104 13.257 6.173 -1.968 1.00 0.00 N ATOM 1240 CA GLU B 104 12.849 7.575 -2.072 1.00 0.00 C ATOM 1241 C GLU B 104 11.717 7.781 -3.077 1.00 0.00 C ATOM 1242 O GLU B 104 10.804 8.559 -2.810 1.00 0.00 O ATOM 1243 CB GLU B 104 14.020 8.496 -2.414 1.00 0.00 C ATOM 1244 CG GLU B 104 14.994 7.904 -3.398 1.00 0.00 C ATOM 1245 CD GLU B 104 15.829 8.956 -4.096 1.00 0.00 C ATOM 1246 OE1 GLU B 104 16.699 9.562 -3.438 1.00 0.00 O ATOM 1247 OE2 GLU B 104 15.618 9.184 -5.307 1.00 0.00 O ATOM 0 H GLU B 104 14.209 5.983 -2.281 1.00 0.00 H new ATOM 0 HA GLU B 104 12.478 7.844 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU B 104 13.629 9.429 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU B 104 14.552 8.747 -1.497 1.00 0.00 H new ATOM 0 HG2 GLU B 104 15.653 7.209 -2.878 1.00 0.00 H new ATOM 0 HG3 GLU B 104 14.446 7.327 -4.143 1.00 0.00 H new ATOM 1254 N VAL B 105 11.762 7.106 -4.229 1.00 0.00 N ATOM 1255 CA VAL B 105 10.648 7.199 -5.172 1.00 0.00 C ATOM 1256 C VAL B 105 9.379 6.681 -4.522 1.00 0.00 C ATOM 1257 O VAL B 105 8.322 7.268 -4.686 1.00 0.00 O ATOM 1258 CB VAL B 105 10.902 6.482 -6.531 1.00 0.00 C ATOM 1259 CG1 VAL B 105 11.905 5.362 -6.397 1.00 0.00 C ATOM 1260 CG2 VAL B 105 9.618 5.934 -7.132 1.00 0.00 C ATOM 0 H VAL B 105 12.533 6.507 -4.524 1.00 0.00 H new ATOM 0 HA VAL B 105 10.540 8.256 -5.417 1.00 0.00 H new ATOM 0 HB VAL B 105 11.308 7.241 -7.200 1.00 0.00 H new ATOM 0 HG11 VAL B 105 12.053 4.888 -7.367 1.00 0.00 H new ATOM 0 HG12 VAL B 105 12.854 5.764 -6.041 1.00 0.00 H new ATOM 0 HG13 VAL B 105 11.533 4.624 -5.686 1.00 0.00 H new ATOM 0 HG21 VAL B 105 9.840 5.442 -8.079 1.00 0.00 H new ATOM 0 HG22 VAL B 105 9.173 5.214 -6.445 1.00 0.00 H new ATOM 0 HG23 VAL B 105 8.919 6.752 -7.304 1.00 0.00 H new ATOM 1270 N GLN B 106 9.496 5.612 -3.752 1.00 0.00 N ATOM 1271 CA GLN B 106 8.358 5.094 -3.010 1.00 0.00 C ATOM 1272 C GLN B 106 7.824 6.154 -2.048 1.00 0.00 C ATOM 1273 O GLN B 106 6.622 6.404 -2.004 1.00 0.00 O ATOM 1274 CB GLN B 106 8.747 3.817 -2.272 1.00 0.00 C ATOM 1275 CG GLN B 106 8.913 2.625 -3.195 1.00 0.00 C ATOM 1276 CD GLN B 106 7.630 2.248 -3.912 1.00 0.00 C ATOM 1277 OE1 GLN B 106 6.861 1.420 -3.431 1.00 0.00 O ATOM 1278 NE2 GLN B 106 7.384 2.855 -5.065 1.00 0.00 N ATOM 0 H GLN B 106 10.362 5.088 -3.624 1.00 0.00 H new ATOM 0 HA GLN B 106 7.560 4.847 -3.710 1.00 0.00 H new ATOM 0 HB2 GLN B 106 9.680 3.985 -1.734 1.00 0.00 H new ATOM 0 HB3 GLN B 106 7.985 3.589 -1.526 1.00 0.00 H new ATOM 0 HG2 GLN B 106 9.683 2.848 -3.933 1.00 0.00 H new ATOM 0 HG3 GLN B 106 9.264 1.771 -2.617 1.00 0.00 H new ATOM 0 HE21 GLN B 106 8.046 3.538 -5.433 1.00 0.00 H new ATOM 0 HE22 GLN B 106 6.532 2.639 -5.583 1.00 0.00 H new ATOM 1287 N ASN B 107 8.728 6.795 -1.309 1.00 0.00 N ATOM 1288 CA ASN B 107 8.367 7.932 -0.456 1.00 0.00 C ATOM 1289 C ASN B 107 7.634 9.005 -1.266 1.00 0.00 C ATOM 1290 O ASN B 107 6.576 9.482 -0.867 1.00 0.00 O ATOM 1291 CB ASN B 107 9.614 8.533 0.197 1.00 0.00 C ATOM 1292 CG ASN B 107 9.330 9.879 0.838 1.00 0.00 C ATOM 1293 OD1 ASN B 107 8.729 9.859 2.015 1.00 0.00 O flip ATOM 1294 ND2 ASN B 107 9.620 10.926 0.261 1.00 0.00 N flip ATOM 0 H ASN B 107 9.717 6.548 -1.282 1.00 0.00 H new ATOM 0 HA ASN B 107 7.701 7.568 0.326 1.00 0.00 H new ATOM 0 HB2 ASN B 107 9.994 7.845 0.952 1.00 0.00 H new ATOM 0 HB3 ASN B 107 10.396 8.647 -0.553 1.00 0.00 H new ATOM 0 HD21 ASN B 107 10.084 10.896 -0.647 1.00 0.00 H new ATOM 0 HD22 ASN B 107 9.397 11.824 0.691 1.00 0.00 H new ATOM 1301 N ARG B 108 8.199 9.363 -2.417 1.00 0.00 N ATOM 1302 CA ARG B 108 7.618 10.379 -3.294 1.00 0.00 C ATOM 1303 C ARG B 108 6.233 9.968 -3.789 1.00 0.00 C ATOM 1304 O ARG B 108 5.258 10.692 -3.603 1.00 0.00 O ATOM 1305 CB ARG B 108 8.529 10.614 -4.499 1.00 0.00 C ATOM 1306 CG ARG B 108 9.869 11.238 -4.152 1.00 0.00 C ATOM 1307 CD ARG B 108 10.775 11.306 -5.369 1.00 0.00 C ATOM 1308 NE ARG B 108 10.161 12.048 -6.472 1.00 0.00 N ATOM 1309 CZ ARG B 108 10.638 12.062 -7.718 1.00 0.00 C ATOM 1310 NH1 ARG B 108 11.728 11.371 -8.027 1.00 0.00 N ATOM 1311 NH2 ARG B 108 10.024 12.768 -8.657 1.00 0.00 N ATOM 0 H ARG B 108 9.068 8.960 -2.767 1.00 0.00 H new ATOM 0 HA ARG B 108 7.520 11.296 -2.713 1.00 0.00 H new ATOM 0 HB2 ARG B 108 8.703 9.662 -5.000 1.00 0.00 H new ATOM 0 HB3 ARG B 108 8.013 11.259 -5.210 1.00 0.00 H new ATOM 0 HG2 ARG B 108 9.714 12.241 -3.754 1.00 0.00 H new ATOM 0 HG3 ARG B 108 10.352 10.655 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG B 108 11.717 11.781 -5.093 1.00 0.00 H new ATOM 0 HD3 ARG B 108 11.013 10.295 -5.701 1.00 0.00 H new ATOM 0 HE ARG B 108 9.317 12.587 -6.276 1.00 0.00 H new ATOM 0 HH11 ARG B 108 12.206 10.825 -7.310 1.00 0.00 H new ATOM 0 HH12 ARG B 108 12.088 11.386 -8.981 1.00 0.00 H new ATOM 0 HH21 ARG B 108 9.186 13.302 -8.427 1.00 0.00 H new ATOM 0 HH22 ARG B 108 10.390 12.778 -9.609 1.00 0.00 H new ATOM 1325 N VAL B 109 6.167 8.801 -4.419 1.00 0.00 N ATOM 1326 CA VAL B 109 4.933 8.289 -5.005 1.00 0.00 C ATOM 1327 C VAL B 109 3.828 8.208 -3.966 1.00 0.00 C ATOM 1328 O VAL B 109 2.713 8.678 -4.192 1.00 0.00 O ATOM 1329 CB VAL B 109 5.149 6.889 -5.619 1.00 0.00 C ATOM 1330 CG1 VAL B 109 3.848 6.327 -6.175 1.00 0.00 C ATOM 1331 CG2 VAL B 109 6.214 6.946 -6.704 1.00 0.00 C ATOM 0 H VAL B 109 6.969 8.182 -4.538 1.00 0.00 H new ATOM 0 HA VAL B 109 4.638 8.985 -5.791 1.00 0.00 H new ATOM 0 HB VAL B 109 5.491 6.221 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL B 109 4.030 5.340 -6.601 1.00 0.00 H new ATOM 0 HG12 VAL B 109 3.114 6.246 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL B 109 3.466 6.992 -6.950 1.00 0.00 H new ATOM 0 HG21 VAL B 109 6.355 5.952 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL B 109 5.898 7.633 -7.489 1.00 0.00 H new ATOM 0 HG23 VAL B 109 7.153 7.294 -6.274 1.00 0.00 H new ATOM 1341 N TYR B 110 4.152 7.625 -2.825 1.00 0.00 N ATOM 1342 CA TYR B 110 3.181 7.457 -1.762 1.00 0.00 C ATOM 1343 C TYR B 110 2.787 8.807 -1.158 1.00 0.00 C ATOM 1344 O TYR B 110 1.645 8.996 -0.740 1.00 0.00 O ATOM 1345 CB TYR B 110 3.721 6.513 -0.687 1.00 0.00 C ATOM 1346 CG TYR B 110 3.857 5.070 -1.131 1.00 0.00 C ATOM 1347 CD1 TYR B 110 2.994 4.521 -2.072 1.00 0.00 C ATOM 1348 CD2 TYR B 110 4.840 4.251 -0.591 1.00 0.00 C ATOM 1349 CE1 TYR B 110 3.106 3.199 -2.458 1.00 0.00 C ATOM 1350 CE2 TYR B 110 4.959 2.930 -0.976 1.00 0.00 C ATOM 1351 CZ TYR B 110 4.089 2.409 -1.909 1.00 0.00 C ATOM 1352 OH TYR B 110 4.194 1.088 -2.284 1.00 0.00 O ATOM 0 H TYR B 110 5.081 7.260 -2.612 1.00 0.00 H new ATOM 0 HA TYR B 110 2.283 7.011 -2.189 1.00 0.00 H new ATOM 0 HB2 TYR B 110 4.697 6.874 -0.361 1.00 0.00 H new ATOM 0 HB3 TYR B 110 3.061 6.553 0.179 1.00 0.00 H new ATOM 0 HD1 TYR B 110 2.223 5.138 -2.509 1.00 0.00 H new ATOM 0 HD2 TYR B 110 5.523 4.654 0.142 1.00 0.00 H new ATOM 0 HE1 TYR B 110 2.424 2.788 -3.188 1.00 0.00 H new ATOM 0 HE2 TYR B 110 5.731 2.308 -0.548 1.00 0.00 H new ATOM 0 HH TYR B 110 5.065 0.936 -2.706 1.00 0.00 H new ATOM 1362 N LYS B 111 3.727 9.748 -1.127 1.00 0.00 N ATOM 1363 CA LYS B 111 3.432 11.102 -0.666 1.00 0.00 C ATOM 1364 C LYS B 111 2.454 11.768 -1.624 1.00 0.00 C ATOM 1365 O LYS B 111 1.501 12.426 -1.204 1.00 0.00 O ATOM 1366 CB LYS B 111 4.716 11.934 -0.560 1.00 0.00 C ATOM 1367 CG LYS B 111 4.491 13.374 -0.115 1.00 0.00 C ATOM 1368 CD LYS B 111 3.982 13.458 1.317 1.00 0.00 C ATOM 1369 CE LYS B 111 3.710 14.899 1.720 1.00 0.00 C ATOM 1370 NZ LYS B 111 3.310 15.021 3.146 1.00 0.00 N ATOM 0 H LYS B 111 4.694 9.599 -1.414 1.00 0.00 H new ATOM 0 HA LYS B 111 2.983 11.042 0.325 1.00 0.00 H new ATOM 0 HB2 LYS B 111 5.393 11.449 0.144 1.00 0.00 H new ATOM 0 HB3 LYS B 111 5.214 11.939 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS B 111 5.425 13.929 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS B 111 3.774 13.851 -0.783 1.00 0.00 H new ATOM 0 HD2 LYS B 111 3.069 12.871 1.416 1.00 0.00 H new ATOM 0 HD3 LYS B 111 4.717 13.021 1.993 1.00 0.00 H new ATOM 0 HE2 LYS B 111 4.603 15.498 1.543 1.00 0.00 H new ATOM 0 HE3 LYS B 111 2.922 15.308 1.088 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 3.135 16.021 3.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 2.442 14.472 3.311 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 4.072 14.656 3.753 1.00 0.00 H new ATOM 1384 N LYS B 112 2.693 11.569 -2.913 1.00 0.00 N ATOM 1385 CA LYS B 112 1.823 12.090 -3.958 1.00 0.00 C ATOM 1386 C LYS B 112 0.400 11.568 -3.786 1.00 0.00 C ATOM 1387 O LYS B 112 -0.568 12.287 -4.037 1.00 0.00 O ATOM 1388 CB LYS B 112 2.372 11.708 -5.333 1.00 0.00 C ATOM 1389 CG LYS B 112 3.675 12.413 -5.682 1.00 0.00 C ATOM 1390 CD LYS B 112 4.376 11.764 -6.867 1.00 0.00 C ATOM 1391 CE LYS B 112 3.534 11.808 -8.131 1.00 0.00 C ATOM 1392 NZ LYS B 112 3.228 13.202 -8.549 1.00 0.00 N ATOM 0 H LYS B 112 3.494 11.043 -3.263 1.00 0.00 H new ATOM 0 HA LYS B 112 1.796 13.177 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS B 112 2.531 10.630 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS B 112 1.626 11.943 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS B 112 3.471 13.459 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS B 112 4.338 12.399 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS B 112 5.324 12.271 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS B 112 4.609 10.727 -6.625 1.00 0.00 H new ATOM 0 HE2 LYS B 112 4.061 11.296 -8.936 1.00 0.00 H new ATOM 0 HE3 LYS B 112 2.603 11.267 -7.965 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 2.801 13.194 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 2.562 13.629 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 4.106 13.759 -8.569 1.00 0.00 H new ATOM 1406 N GLU B 113 0.279 10.317 -3.344 1.00 0.00 N ATOM 1407 CA GLU B 113 -1.029 9.738 -3.066 1.00 0.00 C ATOM 1408 C GLU B 113 -1.707 10.504 -1.940 1.00 0.00 C ATOM 1409 O GLU B 113 -2.861 10.902 -2.058 1.00 0.00 O ATOM 1410 CB GLU B 113 -0.925 8.261 -2.673 1.00 0.00 C ATOM 1411 CG GLU B 113 -0.193 7.393 -3.681 1.00 0.00 C ATOM 1412 CD GLU B 113 -0.693 5.962 -3.676 1.00 0.00 C ATOM 1413 OE1 GLU B 113 -1.882 5.742 -3.995 1.00 0.00 O ATOM 1414 OE2 GLU B 113 0.099 5.047 -3.379 1.00 0.00 O ATOM 0 H GLU B 113 1.066 9.691 -3.173 1.00 0.00 H new ATOM 0 HA GLU B 113 -1.619 9.810 -3.980 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -0.416 8.188 -1.712 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -1.930 7.864 -2.532 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -0.316 7.815 -4.678 1.00 0.00 H new ATOM 0 HG3 GLU B 113 0.874 7.404 -3.460 1.00 0.00 H new ATOM 1421 N ILE B 114 -0.971 10.717 -0.856 1.00 0.00 N ATOM 1422 CA ILE B 114 -1.492 11.402 0.316 1.00 0.00 C ATOM 1423 C ILE B 114 -1.933 12.832 0.011 1.00 0.00 C ATOM 1424 O ILE B 114 -2.934 13.297 0.548 1.00 0.00 O ATOM 1425 CB ILE B 114 -0.449 11.409 1.441 1.00 0.00 C ATOM 1426 CG1 ILE B 114 -0.112 9.973 1.816 1.00 0.00 C ATOM 1427 CG2 ILE B 114 -0.955 12.178 2.651 1.00 0.00 C ATOM 1428 CD1 ILE B 114 0.973 9.860 2.850 1.00 0.00 C ATOM 0 H ILE B 114 0.001 10.420 -0.767 1.00 0.00 H new ATOM 0 HA ILE B 114 -2.375 10.849 0.637 1.00 0.00 H new ATOM 0 HB ILE B 114 0.452 11.912 1.089 1.00 0.00 H new ATOM 0 HG12 ILE B 114 -1.011 9.483 2.190 1.00 0.00 H new ATOM 0 HG13 ILE B 114 0.195 9.435 0.919 1.00 0.00 H new ATOM 0 HG21 ILE B 114 -0.196 12.167 3.433 1.00 0.00 H new ATOM 0 HG22 ILE B 114 -1.166 13.208 2.365 1.00 0.00 H new ATOM 0 HG23 ILE B 114 -1.867 11.711 3.024 1.00 0.00 H new ATOM 0 HD11 ILE B 114 1.160 8.808 3.068 1.00 0.00 H new ATOM 0 HD12 ILE B 114 1.886 10.320 2.471 1.00 0.00 H new ATOM 0 HD13 ILE B 114 0.661 10.370 3.762 1.00 0.00 H new ATOM 1440 N GLN B 115 -1.196 13.528 -0.847 1.00 0.00 N ATOM 1441 CA GLN B 115 -1.560 14.891 -1.213 1.00 0.00 C ATOM 1442 C GLN B 115 -2.877 14.895 -1.972 1.00 0.00 C ATOM 1443 O GLN B 115 -3.759 15.713 -1.709 1.00 0.00 O ATOM 1444 CB GLN B 115 -0.469 15.535 -2.060 1.00 0.00 C ATOM 1445 CG GLN B 115 0.902 15.453 -1.426 1.00 0.00 C ATOM 1446 CD GLN B 115 1.902 16.389 -2.072 1.00 0.00 C ATOM 1447 OE1 GLN B 115 2.590 16.025 -3.023 1.00 0.00 O ATOM 1448 NE2 GLN B 115 1.982 17.610 -1.564 1.00 0.00 N ATOM 0 H GLN B 115 -0.352 13.176 -1.298 1.00 0.00 H new ATOM 0 HA GLN B 115 -1.673 15.472 -0.298 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -0.441 15.050 -3.036 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -0.721 16.581 -2.232 1.00 0.00 H new ATOM 0 HG2 GLN B 115 0.822 15.690 -0.365 1.00 0.00 H new ATOM 0 HG3 GLN B 115 1.270 14.429 -1.497 1.00 0.00 H new ATOM 0 HE21 GLN B 115 1.393 17.873 -0.774 1.00 0.00 H new ATOM 0 HE22 GLN B 115 2.632 18.287 -1.963 1.00 0.00 H new ATOM 1457 N ALA B 116 -2.996 13.968 -2.910 1.00 0.00 N ATOM 1458 CA ALA B 116 -4.241 13.772 -3.645 1.00 0.00 C ATOM 1459 C ALA B 116 -5.355 13.377 -2.688 1.00 0.00 C ATOM 1460 O ALA B 116 -6.477 13.881 -2.761 1.00 0.00 O ATOM 1461 CB ALA B 116 -4.061 12.696 -4.700 1.00 0.00 C ATOM 0 H ALA B 116 -2.243 13.336 -3.183 1.00 0.00 H new ATOM 0 HA ALA B 116 -4.509 14.707 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -4.996 12.558 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -3.279 12.997 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -3.779 11.759 -4.220 1.00 0.00 H new ATOM 1467 N LEU B 117 -5.014 12.468 -1.789 1.00 0.00 N ATOM 1468 CA LEU B 117 -5.920 11.990 -0.759 1.00 0.00 C ATOM 1469 C LEU B 117 -6.375 13.126 0.148 1.00 0.00 C ATOM 1470 O LEU B 117 -7.503 13.122 0.614 1.00 0.00 O ATOM 1471 CB LEU B 117 -5.221 10.908 0.071 1.00 0.00 C ATOM 1472 CG LEU B 117 -5.557 9.449 -0.278 1.00 0.00 C ATOM 1473 CD1 LEU B 117 -5.766 9.253 -1.770 1.00 0.00 C ATOM 1474 CD2 LEU B 117 -4.445 8.534 0.202 1.00 0.00 C ATOM 0 H LEU B 117 -4.090 12.037 -1.754 1.00 0.00 H new ATOM 0 HA LEU B 117 -6.803 11.573 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.144 11.043 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -5.466 11.072 1.120 1.00 0.00 H new ATOM 0 HG LEU B 117 -6.491 9.200 0.226 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -6.001 8.208 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -6.590 9.881 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -4.857 9.529 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -4.690 7.502 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -3.509 8.813 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -4.336 8.629 1.282 1.00 0.00 H new ATOM 1486 N ASP B 118 -5.504 14.104 0.374 1.00 0.00 N ATOM 1487 CA ASP B 118 -5.806 15.200 1.299 1.00 0.00 C ATOM 1488 C ASP B 118 -6.976 16.036 0.790 1.00 0.00 C ATOM 1489 O ASP B 118 -7.759 16.574 1.575 1.00 0.00 O ATOM 1490 CB ASP B 118 -4.577 16.086 1.519 1.00 0.00 C ATOM 1491 CG ASP B 118 -4.798 17.134 2.597 1.00 0.00 C ATOM 1492 OD1 ASP B 118 -4.592 16.825 3.790 1.00 0.00 O ATOM 1493 OD2 ASP B 118 -5.168 18.278 2.262 1.00 0.00 O ATOM 0 H ASP B 118 -4.586 14.164 -0.067 1.00 0.00 H new ATOM 0 HA ASP B 118 -6.088 14.759 2.255 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -3.727 15.461 1.794 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -4.319 16.582 0.583 1.00 0.00 H new ATOM 1498 N ALA B 119 -7.099 16.135 -0.526 1.00 0.00 N ATOM 1499 CA ALA B 119 -8.256 16.781 -1.130 1.00 0.00 C ATOM 1500 C ALA B 119 -9.506 15.970 -0.824 1.00 0.00 C ATOM 1501 O ALA B 119 -10.553 16.506 -0.448 1.00 0.00 O ATOM 1502 CB ALA B 119 -8.066 16.916 -2.628 1.00 0.00 C ATOM 0 H ALA B 119 -6.415 15.778 -1.194 1.00 0.00 H new ATOM 0 HA ALA B 119 -8.366 17.781 -0.711 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -8.940 17.401 -3.063 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -7.179 17.517 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -7.942 15.927 -3.070 1.00 0.00 H new ATOM 1508 N GLU B 120 -9.379 14.663 -0.968 1.00 0.00 N ATOM 1509 CA GLU B 120 -10.443 13.754 -0.627 1.00 0.00 C ATOM 1510 C GLU B 120 -10.731 13.786 0.874 1.00 0.00 C ATOM 1511 O GLU B 120 -11.842 13.513 1.306 1.00 0.00 O ATOM 1512 CB GLU B 120 -10.078 12.348 -1.067 1.00 0.00 C ATOM 1513 CG GLU B 120 -10.579 11.960 -2.449 1.00 0.00 C ATOM 1514 CD GLU B 120 -10.377 13.033 -3.498 1.00 0.00 C ATOM 1515 OE1 GLU B 120 -11.322 13.819 -3.720 1.00 0.00 O ATOM 1516 OE2 GLU B 120 -9.295 13.078 -4.120 1.00 0.00 O ATOM 0 H GLU B 120 -8.537 14.210 -1.323 1.00 0.00 H new ATOM 0 HA GLU B 120 -11.348 14.068 -1.148 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -8.993 12.247 -1.048 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -10.476 11.640 -0.340 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -10.067 11.052 -2.769 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -11.641 11.722 -2.386 1.00 0.00 H new ATOM 1523 N ILE B 121 -9.723 14.097 1.671 1.00 0.00 N ATOM 1524 CA ILE B 121 -9.921 14.300 3.098 1.00 0.00 C ATOM 1525 C ILE B 121 -11.000 15.354 3.336 1.00 0.00 C ATOM 1526 O ILE B 121 -11.749 15.270 4.297 1.00 0.00 O ATOM 1527 CB ILE B 121 -8.598 14.692 3.811 1.00 0.00 C ATOM 1528 CG1 ILE B 121 -7.959 13.468 4.464 1.00 0.00 C ATOM 1529 CG2 ILE B 121 -8.809 15.783 4.848 1.00 0.00 C ATOM 1530 CD1 ILE B 121 -7.593 12.379 3.486 1.00 0.00 C ATOM 0 H ILE B 121 -8.760 14.215 1.356 1.00 0.00 H new ATOM 0 HA ILE B 121 -10.252 13.355 3.529 1.00 0.00 H new ATOM 0 HB ILE B 121 -7.927 15.086 3.048 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -7.062 13.780 4.999 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -8.647 13.062 5.205 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -7.857 16.025 5.321 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -9.210 16.673 4.363 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -9.512 15.435 5.605 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -7.145 11.543 4.023 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -8.490 12.039 2.968 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -6.880 12.767 2.759 1.00 0.00 H new ATOM 1542 N ARG B 122 -11.104 16.316 2.428 1.00 0.00 N ATOM 1543 CA ARG B 122 -12.120 17.353 2.538 1.00 0.00 C ATOM 1544 C ARG B 122 -13.521 16.761 2.382 1.00 0.00 C ATOM 1545 O ARG B 122 -14.440 17.132 3.112 1.00 0.00 O ATOM 1546 CB ARG B 122 -11.875 18.450 1.503 1.00 0.00 C ATOM 1547 CG ARG B 122 -12.834 19.619 1.612 1.00 0.00 C ATOM 1548 CD ARG B 122 -12.282 20.846 0.908 1.00 0.00 C ATOM 1549 NE ARG B 122 -11.012 21.268 1.498 1.00 0.00 N ATOM 1550 CZ ARG B 122 -10.240 22.234 1.006 1.00 0.00 C ATOM 1551 NH1 ARG B 122 -10.625 22.919 -0.064 1.00 0.00 N ATOM 1552 NH2 ARG B 122 -9.087 22.525 1.599 1.00 0.00 N ATOM 0 H ARG B 122 -10.500 16.399 1.611 1.00 0.00 H new ATOM 0 HA ARG B 122 -12.052 17.796 3.531 1.00 0.00 H new ATOM 0 HB2 ARG B 122 -10.855 18.818 1.612 1.00 0.00 H new ATOM 0 HB3 ARG B 122 -11.954 18.019 0.505 1.00 0.00 H new ATOM 0 HG2 ARG B 122 -13.795 19.347 1.176 1.00 0.00 H new ATOM 0 HG3 ARG B 122 -13.014 19.849 2.662 1.00 0.00 H new ATOM 0 HD2 ARG B 122 -12.140 20.628 -0.150 1.00 0.00 H new ATOM 0 HD3 ARG B 122 -13.004 21.660 0.971 1.00 0.00 H new ATOM 0 HE ARG B 122 -10.697 20.790 2.342 1.00 0.00 H new ATOM 0 HH11 ARG B 122 -11.516 22.706 -0.513 1.00 0.00 H new ATOM 0 HH12 ARG B 122 -10.030 23.658 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG B 122 -8.796 22.009 2.429 1.00 0.00 H new ATOM 0 HH22 ARG B 122 -8.493 23.265 1.224 1.00 0.00 H new ATOM 1566 N LYS B 123 -13.685 15.829 1.440 1.00 0.00 N ATOM 1567 CA LYS B 123 -14.974 15.147 1.273 1.00 0.00 C ATOM 1568 C LYS B 123 -15.249 14.269 2.493 1.00 0.00 C ATOM 1569 O LYS B 123 -16.389 14.134 2.942 1.00 0.00 O ATOM 1570 CB LYS B 123 -15.000 14.302 -0.015 1.00 0.00 C ATOM 1571 CG LYS B 123 -14.313 12.946 0.100 1.00 0.00 C ATOM 1572 CD LYS B 123 -13.620 12.546 -1.192 1.00 0.00 C ATOM 1573 CE LYS B 123 -14.574 12.437 -2.358 1.00 0.00 C ATOM 1574 NZ LYS B 123 -13.861 12.551 -3.664 1.00 0.00 N ATOM 0 H LYS B 123 -12.956 15.532 0.791 1.00 0.00 H new ATOM 0 HA LYS B 123 -15.755 15.902 1.186 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -16.038 14.145 -0.310 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -14.524 14.869 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -13.582 12.977 0.908 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -15.050 12.188 0.366 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -12.848 13.279 -1.427 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -13.118 11.589 -1.049 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -15.099 11.483 -2.311 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -15.329 13.220 -2.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -14.438 13.107 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -12.946 13.024 -3.520 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -13.701 11.601 -4.056 1.00 0.00 H new ATOM 1588 N LEU B 124 -14.185 13.683 3.021 1.00 0.00 N ATOM 1589 CA LEU B 124 -14.260 12.879 4.222 1.00 0.00 C ATOM 1590 C LEU B 124 -14.686 13.723 5.414 1.00 0.00 C ATOM 1591 O LEU B 124 -15.636 13.375 6.109 1.00 0.00 O ATOM 1592 CB LEU B 124 -12.908 12.226 4.500 1.00 0.00 C ATOM 1593 CG LEU B 124 -12.533 11.071 3.569 1.00 0.00 C ATOM 1594 CD1 LEU B 124 -11.144 10.550 3.904 1.00 0.00 C ATOM 1595 CD2 LEU B 124 -13.554 9.963 3.685 1.00 0.00 C ATOM 0 H LEU B 124 -13.247 13.754 2.626 1.00 0.00 H new ATOM 0 HA LEU B 124 -15.008 12.102 4.068 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -12.134 12.990 4.433 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -12.905 11.859 5.526 1.00 0.00 H new ATOM 0 HG LEU B 124 -12.525 11.435 2.542 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -10.892 9.729 3.233 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -10.416 11.352 3.785 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -11.127 10.195 4.934 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -13.280 9.145 3.019 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -13.583 9.601 4.713 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -14.537 10.343 3.407 1.00 0.00 H new ATOM 1607 N GLU B 125 -13.991 14.839 5.632 1.00 0.00 N ATOM 1608 CA GLU B 125 -14.260 15.712 6.770 1.00 0.00 C ATOM 1609 C GLU B 125 -15.713 16.154 6.798 1.00 0.00 C ATOM 1610 O GLU B 125 -16.269 16.394 7.864 1.00 0.00 O ATOM 1611 CB GLU B 125 -13.342 16.934 6.759 1.00 0.00 C ATOM 1612 CG GLU B 125 -11.885 16.593 7.012 1.00 0.00 C ATOM 1613 CD GLU B 125 -11.019 17.825 7.174 1.00 0.00 C ATOM 1614 OE1 GLU B 125 -10.651 18.444 6.151 1.00 0.00 O ATOM 1615 OE2 GLU B 125 -10.703 18.184 8.328 1.00 0.00 O ATOM 0 H GLU B 125 -13.233 15.160 5.030 1.00 0.00 H new ATOM 0 HA GLU B 125 -14.059 15.134 7.672 1.00 0.00 H new ATOM 0 HB2 GLU B 125 -13.428 17.436 5.795 1.00 0.00 H new ATOM 0 HB3 GLU B 125 -13.680 17.640 7.518 1.00 0.00 H new ATOM 0 HG2 GLU B 125 -11.810 15.980 7.910 1.00 0.00 H new ATOM 0 HG3 GLU B 125 -11.507 15.994 6.184 1.00 0.00 H new ATOM 1622 N ARG B 126 -16.325 16.248 5.625 1.00 0.00 N ATOM 1623 CA ARG B 126 -17.751 16.531 5.531 1.00 0.00 C ATOM 1624 C ARG B 126 -18.543 15.497 6.328 1.00 0.00 C ATOM 1625 O ARG B 126 -19.419 15.843 7.122 1.00 0.00 O ATOM 1626 CB ARG B 126 -18.202 16.523 4.070 1.00 0.00 C ATOM 1627 CG ARG B 126 -17.557 17.601 3.210 1.00 0.00 C ATOM 1628 CD ARG B 126 -18.166 18.975 3.457 1.00 0.00 C ATOM 1629 NE ARG B 126 -17.891 19.490 4.799 1.00 0.00 N ATOM 1630 CZ ARG B 126 -18.666 20.376 5.425 1.00 0.00 C ATOM 1631 NH1 ARG B 126 -19.778 20.810 4.849 1.00 0.00 N ATOM 1632 NH2 ARG B 126 -18.333 20.821 6.630 1.00 0.00 N ATOM 0 H ARG B 126 -15.857 16.133 4.726 1.00 0.00 H new ATOM 0 HA ARG B 126 -17.938 17.521 5.948 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -17.978 15.548 3.638 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -19.284 16.646 4.035 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -16.487 17.637 3.417 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -17.669 17.340 2.158 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -17.778 19.676 2.718 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -19.244 18.920 3.309 1.00 0.00 H new ATOM 0 HE ARG B 126 -17.059 19.152 5.283 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -20.042 20.466 3.926 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -20.370 21.488 5.329 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -17.482 20.485 7.080 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -18.928 21.499 7.106 1.00 0.00 H new ATOM 1646 N LEU B 127 -18.214 14.227 6.123 1.00 0.00 N ATOM 1647 CA LEU B 127 -18.855 13.142 6.856 1.00 0.00 C ATOM 1648 C LEU B 127 -18.432 13.132 8.324 1.00 0.00 C ATOM 1649 O LEU B 127 -19.270 12.954 9.203 1.00 0.00 O ATOM 1650 CB LEU B 127 -18.562 11.789 6.209 1.00 0.00 C ATOM 1651 CG LEU B 127 -19.535 11.374 5.103 1.00 0.00 C ATOM 1652 CD1 LEU B 127 -19.525 12.378 3.964 1.00 0.00 C ATOM 1653 CD2 LEU B 127 -19.196 9.983 4.596 1.00 0.00 C ATOM 0 H LEU B 127 -17.506 13.923 5.454 1.00 0.00 H new ATOM 0 HA LEU B 127 -19.930 13.317 6.815 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -17.554 11.812 5.795 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -18.570 11.023 6.985 1.00 0.00 H new ATOM 0 HG LEU B 127 -20.541 11.355 5.523 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -20.225 12.059 3.192 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -19.821 13.357 4.340 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -18.522 12.439 3.542 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -19.897 9.702 3.810 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -18.182 9.978 4.197 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -19.266 9.269 5.417 1.00 0.00 H new ATOM 1665 N LEU B 128 -17.133 13.293 8.594 1.00 0.00 N ATOM 1666 CA LEU B 128 -16.641 13.462 9.955 1.00 0.00 C ATOM 1667 C LEU B 128 -17.460 14.496 10.718 1.00 0.00 C ATOM 1668 O LEU B 128 -18.023 14.198 11.766 1.00 0.00 O ATOM 1669 CB LEU B 128 -15.181 13.898 9.933 1.00 0.00 C ATOM 1670 CG LEU B 128 -14.161 12.780 9.734 1.00 0.00 C ATOM 1671 CD1 LEU B 128 -14.251 12.151 8.357 1.00 0.00 C ATOM 1672 CD2 LEU B 128 -12.763 13.313 9.986 1.00 0.00 C ATOM 0 H LEU B 128 -16.404 13.309 7.881 1.00 0.00 H new ATOM 0 HA LEU B 128 -16.735 12.502 10.462 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -15.051 14.630 9.136 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -14.958 14.406 10.871 1.00 0.00 H new ATOM 0 HG LEU B 128 -14.389 11.993 10.453 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -13.504 11.362 8.268 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -15.245 11.727 8.215 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -14.068 12.911 7.597 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -12.037 12.512 9.843 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -12.551 14.123 9.288 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -12.695 13.687 11.008 1.00 0.00 H new ATOM 1684 N GLU B 129 -17.518 15.702 10.178 1.00 0.00 N ATOM 1685 CA GLU B 129 -18.307 16.784 10.769 1.00 0.00 C ATOM 1686 C GLU B 129 -19.788 16.414 10.873 1.00 0.00 C ATOM 1687 O GLU B 129 -20.508 16.917 11.735 1.00 0.00 O ATOM 1688 CB GLU B 129 -18.146 18.059 9.944 1.00 0.00 C ATOM 1689 CG GLU B 129 -16.732 18.610 9.958 1.00 0.00 C ATOM 1690 CD GLU B 129 -16.613 19.934 9.237 1.00 0.00 C ATOM 1691 OE1 GLU B 129 -16.885 20.980 9.862 1.00 0.00 O ATOM 1692 OE2 GLU B 129 -16.246 19.943 8.042 1.00 0.00 O ATOM 0 H GLU B 129 -17.025 15.963 9.324 1.00 0.00 H new ATOM 0 HA GLU B 129 -17.934 16.953 11.779 1.00 0.00 H new ATOM 0 HB2 GLU B 129 -18.439 17.856 8.914 1.00 0.00 H new ATOM 0 HB3 GLU B 129 -18.828 18.819 10.326 1.00 0.00 H new ATOM 0 HG2 GLU B 129 -16.405 18.733 10.990 1.00 0.00 H new ATOM 0 HG3 GLU B 129 -16.060 17.887 9.495 1.00 0.00 H new ATOM 1699 N SER B 130 -20.231 15.529 9.994 1.00 0.00 N ATOM 1700 CA SER B 130 -21.611 15.061 9.997 1.00 0.00 C ATOM 1701 C SER B 130 -21.823 14.003 11.087 1.00 0.00 C ATOM 1702 O SER B 130 -22.960 13.672 11.434 1.00 0.00 O ATOM 1703 CB SER B 130 -21.971 14.493 8.620 1.00 0.00 C ATOM 1704 OG SER B 130 -23.346 14.165 8.532 1.00 0.00 O ATOM 0 H SER B 130 -19.651 15.117 9.263 1.00 0.00 H new ATOM 0 HA SER B 130 -22.266 15.905 10.214 1.00 0.00 H new ATOM 0 HB2 SER B 130 -21.721 15.222 7.849 1.00 0.00 H new ATOM 0 HB3 SER B 130 -21.372 13.604 8.425 1.00 0.00 H new ATOM 0 HG SER B 130 -23.688 13.947 9.424 1.00 0.00 H new ATOM 1710 N GLY B 131 -20.724 13.477 11.621 1.00 0.00 N ATOM 1711 CA GLY B 131 -20.810 12.507 12.698 1.00 0.00 C ATOM 1712 C GLY B 131 -20.350 11.113 12.297 1.00 0.00 C ATOM 1713 O GLY B 131 -20.777 10.124 12.891 1.00 0.00 O ATOM 0 H GLY B 131 -19.775 13.706 11.326 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -20.206 12.853 13.537 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -21.841 12.454 13.048 1.00 0.00 H new ATOM 1717 N LEU B 132 -19.481 11.027 11.294 1.00 0.00 N ATOM 1718 CA LEU B 132 -18.977 9.738 10.831 1.00 0.00 C ATOM 1719 C LEU B 132 -17.959 9.150 11.806 1.00 0.00 C ATOM 1720 O LEU B 132 -18.004 7.958 12.117 1.00 0.00 O ATOM 1721 CB LEU B 132 -18.333 9.897 9.456 1.00 0.00 C ATOM 1722 CG LEU B 132 -17.679 8.638 8.888 1.00 0.00 C ATOM 1723 CD1 LEU B 132 -18.731 7.631 8.450 1.00 0.00 C ATOM 1724 CD2 LEU B 132 -16.765 9.004 7.735 1.00 0.00 C ATOM 0 H LEU B 132 -19.112 11.832 10.788 1.00 0.00 H new ATOM 0 HA LEU B 132 -19.822 9.053 10.768 1.00 0.00 H new ATOM 0 HB2 LEU B 132 -19.094 10.238 8.754 1.00 0.00 H new ATOM 0 HB3 LEU B 132 -17.579 10.682 9.515 1.00 0.00 H new ATOM 0 HG LEU B 132 -17.081 8.172 9.671 1.00 0.00 H new ATOM 0 HD11 LEU B 132 -18.241 6.744 8.049 1.00 0.00 H new ATOM 0 HD12 LEU B 132 -19.345 7.351 9.306 1.00 0.00 H new ATOM 0 HD13 LEU B 132 -19.362 8.076 7.680 1.00 0.00 H new ATOM 0 HD21 LEU B 132 -16.303 8.101 7.336 1.00 0.00 H new ATOM 0 HD22 LEU B 132 -17.345 9.491 6.951 1.00 0.00 H new ATOM 0 HD23 LEU B 132 -15.989 9.683 8.087 1.00 0.00 H new ATOM 1736 N THR B 133 -17.041 9.979 12.277 1.00 0.00 N ATOM 1737 CA THR B 133 -15.975 9.519 13.152 1.00 0.00 C ATOM 1738 C THR B 133 -16.046 10.229 14.500 1.00 0.00 C ATOM 1739 O THR B 133 -16.594 9.642 15.456 1.00 0.00 O ATOM 1740 CB THR B 133 -14.593 9.753 12.510 1.00 0.00 C ATOM 1741 OG1 THR B 133 -14.587 9.245 11.168 1.00 0.00 O ATOM 1742 CG2 THR B 133 -13.495 9.069 13.314 1.00 0.00 C ATOM 1743 OXT THR B 133 -15.586 11.389 14.591 1.00 0.00 O ATOM 0 H THR B 133 -17.013 10.977 12.067 1.00 0.00 H new ATOM 0 HA THR B 133 -16.109 8.448 13.306 1.00 0.00 H new ATOM 0 HB THR B 133 -14.400 10.826 12.500 1.00 0.00 H new ATOM 0 HG1 THR B 133 -13.707 9.398 10.764 1.00 0.00 H new ATOM 0 HG21 THR B 133 -12.530 9.250 12.840 1.00 0.00 H new ATOM 0 HG22 THR B 133 -13.482 9.471 14.327 1.00 0.00 H new ATOM 0 HG23 THR B 133 -13.686 7.996 13.351 1.00 0.00 H new TER 1751 THR B 133