USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.0916 F(o=-0.65,f=-0.092) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.286 F(o=-1.1,f=-0.29) USER MOD Single : A 13 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.22) USER MOD Single : A 26 GLN :FLIP amide:sc= -1.05 F(o=-2.2,f=-1.1) USER MOD Single : A 27 SER OG : rot 180:sc= -0.491 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.14) USER MOD Single : A 45 SER OG : rot -137:sc= 1.16 USER MOD Single : A 48 SER OG : rot -103:sc= 0.88 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 46:sc= 0.0486 USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.145) USER MOD Single : A 54 ASN : amide:sc= -0.0443 X(o=-0.044,f=-0.086) USER MOD Single : A 57 THR OG1 : rot 73:sc= 0.263 USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= -0.107 (180deg=-0.662) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 65 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.2) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.218) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 2.698 -10.774 12.810 1.00 0.00 N ATOM 2 CA GLN A 6 1.812 -9.621 12.705 1.00 0.00 C ATOM 3 C GLN A 6 2.507 -8.366 13.222 1.00 0.00 C ATOM 4 O GLN A 6 2.082 -7.247 12.937 1.00 0.00 O ATOM 5 CB GLN A 6 0.534 -9.869 13.510 1.00 0.00 C ATOM 6 CG GLN A 6 0.899 -10.295 14.932 1.00 0.00 C ATOM 7 CD GLN A 6 -0.347 -10.301 15.811 1.00 0.00 C ATOM 8 OE1 GLN A 6 -1.246 -11.117 15.609 1.00 0.00 O ATOM 9 NE2 GLN A 6 -0.456 -9.435 16.781 1.00 0.00 N ATOM 0 HA GLN A 6 1.556 -9.476 11.656 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.073 -8.964 13.535 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -0.066 -10.642 13.030 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.349 -11.287 14.919 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.642 -9.613 15.345 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.290 -8.759 16.948 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.287 -9.434 17.373 1.00 0.00 H new ATOM 18 N GLN A 7 3.578 -8.562 13.984 1.00 0.00 N ATOM 19 CA GLN A 7 4.326 -7.439 14.536 1.00 0.00 C ATOM 20 C GLN A 7 4.570 -6.380 13.465 1.00 0.00 C ATOM 21 O GLN A 7 4.143 -5.234 13.603 1.00 0.00 O ATOM 22 CB GLN A 7 5.668 -7.927 15.088 1.00 0.00 C ATOM 23 CG GLN A 7 5.427 -8.888 16.258 1.00 0.00 C ATOM 24 CD GLN A 7 6.678 -8.977 17.125 1.00 0.00 C ATOM 25 OE1 GLN A 7 7.297 -7.882 17.475 1.00 0.00 O flip ATOM 26 NE2 GLN A 7 7.102 -10.071 17.496 1.00 0.00 N flip ATOM 0 H GLN A 7 3.945 -9.481 14.232 1.00 0.00 H new ATOM 0 HA GLN A 7 3.740 -6.997 15.342 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.234 -8.429 14.303 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.266 -7.078 15.419 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.584 -8.542 16.856 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.165 -9.876 15.880 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.617 -10.926 17.222 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.938 -10.123 18.078 1.00 0.00 H new ATOM 35 N GLN A 8 5.258 -6.771 12.399 1.00 0.00 N ATOM 36 CA GLN A 8 5.553 -5.846 11.311 1.00 0.00 C ATOM 37 C GLN A 8 4.290 -5.108 10.873 1.00 0.00 C ATOM 38 O GLN A 8 4.343 -3.935 10.503 1.00 0.00 O ATOM 39 CB GLN A 8 6.138 -6.610 10.120 1.00 0.00 C ATOM 40 CG GLN A 8 7.591 -6.993 10.419 1.00 0.00 C ATOM 41 CD GLN A 8 8.501 -5.784 10.221 1.00 0.00 C ATOM 42 OE1 GLN A 8 8.626 -4.907 11.182 1.00 0.00 O flip ATOM 43 NE2 GLN A 8 9.114 -5.634 9.165 1.00 0.00 N flip ATOM 0 H GLN A 8 5.620 -7.715 12.265 1.00 0.00 H new ATOM 0 HA GLN A 8 6.280 -5.116 11.669 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.548 -7.505 9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 8 6.091 -5.995 9.222 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.676 -7.359 11.442 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.904 -7.805 9.763 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.015 -6.319 8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.721 -4.824 9.038 1.00 0.00 H new ATOM 52 N ALA A 9 3.158 -5.804 10.916 1.00 0.00 N ATOM 53 CA ALA A 9 1.890 -5.202 10.518 1.00 0.00 C ATOM 54 C ALA A 9 1.485 -4.097 11.489 1.00 0.00 C ATOM 55 O ALA A 9 1.450 -2.921 11.125 1.00 0.00 O ATOM 56 CB ALA A 9 0.796 -6.272 10.470 1.00 0.00 C ATOM 0 H ALA A 9 3.092 -6.776 11.219 1.00 0.00 H new ATOM 0 HA ALA A 9 2.015 -4.765 9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.147 -5.815 10.172 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.071 -7.041 9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.685 -6.723 11.456 1.00 0.00 H new ATOM 62 N VAL A 10 1.176 -4.481 12.723 1.00 0.00 N ATOM 63 CA VAL A 10 0.772 -3.512 13.735 1.00 0.00 C ATOM 64 C VAL A 10 1.857 -2.457 13.935 1.00 0.00 C ATOM 65 O VAL A 10 1.567 -1.262 14.001 1.00 0.00 O ATOM 66 CB VAL A 10 0.489 -4.222 15.061 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.711 -5.042 15.475 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.184 -3.182 16.142 1.00 0.00 C ATOM 0 H VAL A 10 1.197 -5.449 13.045 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.137 -3.017 13.392 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.368 -4.885 14.940 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.508 -5.547 16.419 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.929 -5.784 14.707 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.569 -4.381 15.595 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.018 -3.687 17.087 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.041 -2.519 16.261 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.689 -2.598 15.849 1.00 0.00 H new ATOM 78 N LEU A 11 3.106 -2.903 14.029 1.00 0.00 N ATOM 79 CA LEU A 11 4.220 -1.979 14.219 1.00 0.00 C ATOM 80 C LEU A 11 4.221 -0.918 13.125 1.00 0.00 C ATOM 81 O LEU A 11 4.185 0.279 13.408 1.00 0.00 O ATOM 82 CB LEU A 11 5.551 -2.740 14.194 1.00 0.00 C ATOM 83 CG LEU A 11 5.704 -3.580 15.467 1.00 0.00 C ATOM 84 CD1 LEU A 11 6.971 -4.431 15.358 1.00 0.00 C ATOM 85 CD2 LEU A 11 5.810 -2.663 16.696 1.00 0.00 C ATOM 0 H LEU A 11 3.371 -3.887 13.978 1.00 0.00 H new ATOM 0 HA LEU A 11 4.102 -1.494 15.188 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.593 -3.385 13.316 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.379 -2.036 14.112 1.00 0.00 H new ATOM 0 HG LEU A 11 4.832 -4.224 15.579 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.085 -5.031 16.261 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.894 -5.089 14.492 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.838 -3.780 15.243 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.918 -3.270 17.595 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.678 -2.012 16.591 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.909 -2.055 16.775 1.00 0.00 H new ATOM 97 N GLU A 12 4.261 -1.364 11.872 1.00 0.00 N ATOM 98 CA GLU A 12 4.265 -0.440 10.745 1.00 0.00 C ATOM 99 C GLU A 12 3.053 0.485 10.807 1.00 0.00 C ATOM 100 O GLU A 12 3.178 1.699 10.648 1.00 0.00 O ATOM 101 CB GLU A 12 4.247 -1.220 9.428 1.00 0.00 C ATOM 102 CG GLU A 12 5.619 -1.855 9.190 1.00 0.00 C ATOM 103 CD GLU A 12 5.512 -2.943 8.127 1.00 0.00 C ATOM 104 OE1 GLU A 12 4.580 -2.888 7.344 1.00 0.00 O ATOM 105 OE2 GLU A 12 6.366 -3.815 8.113 1.00 0.00 O ATOM 0 H GLU A 12 4.291 -2.350 11.614 1.00 0.00 H new ATOM 0 HA GLU A 12 5.172 0.163 10.797 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.478 -1.992 9.461 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.995 -0.554 8.603 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.331 -1.093 8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.999 -2.279 10.119 1.00 0.00 H new ATOM 112 N GLN A 13 1.882 -0.098 11.041 1.00 0.00 N ATOM 113 CA GLN A 13 0.654 0.685 11.124 1.00 0.00 C ATOM 114 C GLN A 13 0.806 1.811 12.141 1.00 0.00 C ATOM 115 O GLN A 13 0.363 2.935 11.909 1.00 0.00 O ATOM 116 CB GLN A 13 -0.514 -0.216 11.528 1.00 0.00 C ATOM 117 CG GLN A 13 -1.833 0.534 11.326 1.00 0.00 C ATOM 118 CD GLN A 13 -2.114 0.698 9.837 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.411 -0.279 9.149 1.00 0.00 O ATOM 120 NE2 GLN A 13 -2.040 1.882 9.294 1.00 0.00 N ATOM 0 H GLN A 13 1.757 -1.101 11.176 1.00 0.00 H new ATOM 0 HA GLN A 13 0.455 1.119 10.144 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.507 -1.128 10.931 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.411 -0.517 12.570 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.648 -0.012 11.801 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.783 1.512 11.805 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.794 2.691 9.865 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.228 1.999 8.298 1.00 0.00 H new ATOM 129 N GLU A 14 1.438 1.502 13.269 1.00 0.00 N ATOM 130 CA GLU A 14 1.644 2.499 14.313 1.00 0.00 C ATOM 131 C GLU A 14 2.603 3.582 13.833 1.00 0.00 C ATOM 132 O GLU A 14 2.301 4.772 13.913 1.00 0.00 O ATOM 133 CB GLU A 14 2.211 1.831 15.569 1.00 0.00 C ATOM 134 CG GLU A 14 1.126 0.974 16.225 1.00 0.00 C ATOM 135 CD GLU A 14 0.075 1.870 16.870 1.00 0.00 C ATOM 136 OE1 GLU A 14 0.270 2.251 18.012 1.00 0.00 O ATOM 137 OE2 GLU A 14 -0.912 2.161 16.213 1.00 0.00 O ATOM 0 H GLU A 14 1.813 0.578 13.482 1.00 0.00 H new ATOM 0 HA GLU A 14 0.683 2.957 14.549 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.070 1.213 15.309 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.564 2.588 16.269 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.659 0.330 15.480 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.571 0.322 16.976 1.00 0.00 H new ATOM 144 N ARG A 15 3.759 3.161 13.331 1.00 0.00 N ATOM 145 CA ARG A 15 4.754 4.105 12.836 1.00 0.00 C ATOM 146 C ARG A 15 4.110 5.106 11.882 1.00 0.00 C ATOM 147 O ARG A 15 4.179 6.316 12.097 1.00 0.00 O ATOM 148 CB ARG A 15 5.875 3.355 12.111 1.00 0.00 C ATOM 149 CG ARG A 15 6.738 2.595 13.127 1.00 0.00 C ATOM 150 CD ARG A 15 7.861 3.502 13.640 1.00 0.00 C ATOM 151 NE ARG A 15 8.780 3.832 12.556 1.00 0.00 N ATOM 152 CZ ARG A 15 9.977 4.352 12.805 1.00 0.00 C ATOM 153 NH1 ARG A 15 10.347 4.577 14.035 1.00 0.00 N ATOM 154 NH2 ARG A 15 10.783 4.638 11.819 1.00 0.00 N ATOM 0 H ARG A 15 4.029 2.180 13.256 1.00 0.00 H new ATOM 0 HA ARG A 15 5.171 4.644 13.687 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.450 2.658 11.389 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.492 4.058 11.551 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.122 2.258 13.960 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.162 1.704 12.663 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.438 4.415 14.058 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.401 3.004 14.445 1.00 0.00 H new ATOM 0 HE ARG A 15 8.499 3.661 11.591 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.717 4.354 14.806 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.266 4.976 14.226 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.494 4.462 10.857 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.702 5.037 12.011 1.00 0.00 H new ATOM 168 N ARG A 16 3.483 4.592 10.828 1.00 0.00 N ATOM 169 CA ARG A 16 2.830 5.452 9.847 1.00 0.00 C ATOM 170 C ARG A 16 1.729 6.276 10.507 1.00 0.00 C ATOM 171 O ARG A 16 1.723 7.504 10.422 1.00 0.00 O ATOM 172 CB ARG A 16 2.231 4.605 8.721 1.00 0.00 C ATOM 173 CG ARG A 16 1.441 5.505 7.767 1.00 0.00 C ATOM 174 CD ARG A 16 1.231 4.784 6.434 1.00 0.00 C ATOM 175 NE ARG A 16 0.316 5.546 5.590 1.00 0.00 N ATOM 176 CZ ARG A 16 -0.231 5.005 4.506 1.00 0.00 C ATOM 177 NH1 ARG A 16 0.046 3.772 4.180 1.00 0.00 N ATOM 178 NH2 ARG A 16 -1.044 5.707 3.765 1.00 0.00 N ATOM 0 H ARG A 16 3.413 3.593 10.632 1.00 0.00 H new ATOM 0 HA ARG A 16 3.577 6.128 9.432 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.024 4.090 8.179 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.579 3.837 9.137 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.478 5.762 8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.978 6.440 7.605 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.187 4.657 5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.829 3.786 6.611 1.00 0.00 H new ATOM 0 HE ARG A 16 0.092 6.510 5.836 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.683 3.223 4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.374 3.358 3.348 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.260 6.671 4.017 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.463 5.291 2.933 1.00 0.00 H new ATOM 192 N ASP A 17 0.797 5.592 11.164 1.00 0.00 N ATOM 193 CA ASP A 17 -0.307 6.272 11.833 1.00 0.00 C ATOM 194 C ASP A 17 0.196 7.492 12.600 1.00 0.00 C ATOM 195 O ASP A 17 -0.385 8.574 12.512 1.00 0.00 O ATOM 196 CB ASP A 17 -1.004 5.311 12.799 1.00 0.00 C ATOM 197 CG ASP A 17 -2.102 6.044 13.561 1.00 0.00 C ATOM 198 OD1 ASP A 17 -1.769 6.907 14.358 1.00 0.00 O ATOM 199 OD2 ASP A 17 -3.260 5.731 13.339 1.00 0.00 O ATOM 0 H ASP A 17 0.784 4.575 11.247 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.016 6.603 11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.430 4.473 12.247 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.279 4.896 13.499 1.00 0.00 H new ATOM 204 N ARG A 18 1.277 7.309 13.352 1.00 0.00 N ATOM 205 CA ARG A 18 1.847 8.403 14.130 1.00 0.00 C ATOM 206 C ARG A 18 2.368 9.503 13.210 1.00 0.00 C ATOM 207 O ARG A 18 2.014 10.673 13.362 1.00 0.00 O ATOM 208 CB ARG A 18 2.988 7.881 15.006 1.00 0.00 C ATOM 209 CG ARG A 18 2.410 7.068 16.167 1.00 0.00 C ATOM 210 CD ARG A 18 3.541 6.630 17.098 1.00 0.00 C ATOM 211 NE ARG A 18 2.996 6.134 18.355 1.00 0.00 N ATOM 212 CZ ARG A 18 3.726 5.379 19.171 1.00 0.00 C ATOM 213 NH1 ARG A 18 4.954 5.074 18.854 1.00 0.00 N ATOM 214 NH2 ARG A 18 3.214 4.945 20.291 1.00 0.00 N ATOM 0 H ARG A 18 1.772 6.421 13.439 1.00 0.00 H new ATOM 0 HA ARG A 18 1.064 8.819 14.764 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.661 7.261 14.414 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.577 8.714 15.389 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.683 7.666 16.717 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.881 6.195 15.785 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.135 5.852 16.619 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.210 7.469 17.289 1.00 0.00 H new ATOM 0 HE ARG A 18 2.038 6.370 18.614 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.355 5.415 17.980 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.514 4.495 19.480 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.254 5.185 20.540 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.774 4.366 20.917 1.00 0.00 H new ATOM 228 N GLU A 19 3.212 9.122 12.257 1.00 0.00 N ATOM 229 CA GLU A 19 3.777 10.088 11.319 1.00 0.00 C ATOM 230 C GLU A 19 2.685 10.998 10.763 1.00 0.00 C ATOM 231 O GLU A 19 2.702 12.209 10.983 1.00 0.00 O ATOM 232 CB GLU A 19 4.470 9.356 10.169 1.00 0.00 C ATOM 233 CG GLU A 19 5.781 8.745 10.668 1.00 0.00 C ATOM 234 CD GLU A 19 6.404 7.882 9.577 1.00 0.00 C ATOM 235 OE1 GLU A 19 5.758 6.937 9.156 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.518 8.179 9.177 1.00 0.00 O ATOM 0 H GLU A 19 3.519 8.160 12.113 1.00 0.00 H new ATOM 0 HA GLU A 19 4.506 10.699 11.851 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.819 8.575 9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.668 10.048 9.350 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.473 9.536 10.957 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.596 8.143 11.558 1.00 0.00 H new ATOM 243 N LEU A 20 1.739 10.406 10.043 1.00 0.00 N ATOM 244 CA LEU A 20 0.644 11.174 9.461 1.00 0.00 C ATOM 245 C LEU A 20 -0.091 11.960 10.545 1.00 0.00 C ATOM 246 O LEU A 20 -0.111 13.190 10.526 1.00 0.00 O ATOM 247 CB LEU A 20 -0.336 10.236 8.751 1.00 0.00 C ATOM 248 CG LEU A 20 0.213 9.862 7.371 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.628 9.299 7.516 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.693 8.805 6.734 1.00 0.00 C ATOM 0 H LEU A 20 1.707 9.405 9.849 1.00 0.00 H new ATOM 0 HA LEU A 20 1.060 11.875 8.737 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.490 9.337 9.347 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.307 10.720 8.647 1.00 0.00 H new ATOM 0 HG LEU A 20 0.241 10.750 6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.017 9.034 6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.274 10.050 7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.603 8.411 8.148 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.304 8.537 5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.719 7.919 7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.701 9.206 6.628 1.00 0.00 H new ATOM 262 N ALA A 21 -0.690 11.241 11.489 1.00 0.00 N ATOM 263 CA ALA A 21 -1.423 11.884 12.576 1.00 0.00 C ATOM 264 C ALA A 21 -0.660 13.101 13.091 1.00 0.00 C ATOM 265 O ALA A 21 -1.251 14.142 13.378 1.00 0.00 O ATOM 266 CB ALA A 21 -1.637 10.892 13.720 1.00 0.00 C ATOM 0 H ALA A 21 -0.683 10.222 11.525 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.390 12.211 12.193 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.184 11.380 14.527 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.209 10.037 13.358 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.671 10.551 14.092 1.00 0.00 H new ATOM 272 N LEU A 22 0.658 12.963 13.202 1.00 0.00 N ATOM 273 CA LEU A 22 1.493 14.058 13.681 1.00 0.00 C ATOM 274 C LEU A 22 1.497 15.202 12.673 1.00 0.00 C ATOM 275 O LEU A 22 1.419 16.373 13.048 1.00 0.00 O ATOM 276 CB LEU A 22 2.927 13.566 13.903 1.00 0.00 C ATOM 277 CG LEU A 22 3.702 14.590 14.744 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.485 14.309 16.235 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.195 14.486 14.425 1.00 0.00 C ATOM 0 H LEU A 22 1.167 12.110 12.969 1.00 0.00 H new ATOM 0 HA LEU A 22 1.084 14.418 14.625 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.916 12.600 14.408 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.424 13.419 12.944 1.00 0.00 H new ATOM 0 HG LEU A 22 3.343 15.592 14.508 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.037 15.039 16.827 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.423 14.382 16.468 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.840 13.306 16.472 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.746 15.213 15.022 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.548 13.482 14.659 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.356 14.689 13.366 1.00 0.00 H new ATOM 291 N ARG A 23 1.587 14.856 11.393 1.00 0.00 N ATOM 292 CA ARG A 23 1.598 15.864 10.341 1.00 0.00 C ATOM 293 C ARG A 23 0.288 16.646 10.339 1.00 0.00 C ATOM 294 O ARG A 23 0.286 17.875 10.266 1.00 0.00 O ATOM 295 CB ARG A 23 1.800 15.195 8.979 1.00 0.00 C ATOM 296 CG ARG A 23 3.259 14.756 8.838 1.00 0.00 C ATOM 297 CD ARG A 23 3.405 13.851 7.614 1.00 0.00 C ATOM 298 NE ARG A 23 2.572 14.341 6.521 1.00 0.00 N ATOM 299 CZ ARG A 23 2.861 15.474 5.891 1.00 0.00 C ATOM 300 NH1 ARG A 23 3.904 16.172 6.249 1.00 0.00 N ATOM 301 NH2 ARG A 23 2.102 15.890 4.914 1.00 0.00 N ATOM 0 H ARG A 23 1.653 13.894 11.062 1.00 0.00 H new ATOM 0 HA ARG A 23 2.420 16.554 10.530 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.139 14.334 8.883 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.539 15.888 8.179 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.904 15.629 8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.578 14.226 9.735 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.448 13.819 7.299 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.118 12.831 7.871 1.00 0.00 H new ATOM 0 HE ARG A 23 1.753 13.804 6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.497 15.847 7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.126 17.042 5.765 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.287 15.345 4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.324 16.760 4.430 1.00 0.00 H new ATOM 315 N ILE A 24 -0.826 15.924 10.423 1.00 0.00 N ATOM 316 CA ILE A 24 -2.137 16.561 10.432 1.00 0.00 C ATOM 317 C ILE A 24 -2.299 17.427 11.677 1.00 0.00 C ATOM 318 O ILE A 24 -2.874 18.515 11.617 1.00 0.00 O ATOM 319 CB ILE A 24 -3.236 15.496 10.402 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.959 14.511 9.264 1.00 0.00 C ATOM 321 CG2 ILE A 24 -4.592 16.168 10.175 1.00 0.00 C ATOM 322 CD1 ILE A 24 -4.058 13.447 9.227 1.00 0.00 C ATOM 0 H ILE A 24 -0.847 14.906 10.485 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.221 17.193 9.548 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.250 14.961 11.352 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.920 15.041 8.312 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.987 14.039 9.406 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.375 15.410 10.154 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.790 16.871 10.984 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.579 16.703 9.225 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.859 12.746 8.416 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.076 12.909 10.175 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.023 13.926 9.064 1.00 0.00 H new ATOM 334 N ALA A 25 -1.788 16.940 12.803 1.00 0.00 N ATOM 335 CA ALA A 25 -1.881 17.681 14.055 1.00 0.00 C ATOM 336 C ALA A 25 -1.134 19.007 13.951 1.00 0.00 C ATOM 337 O ALA A 25 -1.690 20.069 14.226 1.00 0.00 O ATOM 338 CB ALA A 25 -1.294 16.852 15.197 1.00 0.00 C ATOM 0 H ALA A 25 -1.309 16.042 12.874 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.933 17.885 14.257 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.367 17.413 16.129 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.848 15.918 15.291 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.247 16.633 14.987 1.00 0.00 H new ATOM 344 N GLN A 26 0.131 18.936 13.553 1.00 0.00 N ATOM 345 CA GLN A 26 0.944 20.138 13.416 1.00 0.00 C ATOM 346 C GLN A 26 0.361 21.058 12.350 1.00 0.00 C ATOM 347 O GLN A 26 0.469 22.281 12.444 1.00 0.00 O ATOM 348 CB GLN A 26 2.378 19.758 13.041 1.00 0.00 C ATOM 349 CG GLN A 26 3.097 19.194 14.269 1.00 0.00 C ATOM 350 CD GLN A 26 4.341 18.425 13.840 1.00 0.00 C ATOM 351 OE1 GLN A 26 4.824 17.495 14.618 1.00 0.00 O flip ATOM 352 NE2 GLN A 26 4.889 18.678 12.765 1.00 0.00 N flip ATOM 0 H GLN A 26 0.612 18.067 13.321 1.00 0.00 H new ATOM 0 HA GLN A 26 0.948 20.665 14.370 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.372 19.019 12.240 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.910 20.632 12.665 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.375 20.005 14.942 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.427 18.537 14.823 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.510 19.405 12.158 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.721 18.160 12.482 1.00 0.00 H new ATOM 361 N SER A 27 -0.259 20.463 11.336 1.00 0.00 N ATOM 362 CA SER A 27 -0.856 21.241 10.257 1.00 0.00 C ATOM 363 C SER A 27 -2.147 21.909 10.724 1.00 0.00 C ATOM 364 O SER A 27 -2.279 23.130 10.668 1.00 0.00 O ATOM 365 CB SER A 27 -1.155 20.333 9.063 1.00 0.00 C ATOM 366 OG SER A 27 -1.963 21.036 8.129 1.00 0.00 O ATOM 0 H SER A 27 -0.361 19.453 11.239 1.00 0.00 H new ATOM 0 HA SER A 27 -0.148 22.014 9.960 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.225 20.016 8.591 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.667 19.430 9.397 1.00 0.00 H new ATOM 0 HG SER A 27 -2.155 20.457 7.362 1.00 0.00 H new ATOM 372 N GLU A 28 -3.096 21.097 11.179 1.00 0.00 N ATOM 373 CA GLU A 28 -4.374 21.621 11.650 1.00 0.00 C ATOM 374 C GLU A 28 -4.172 22.522 12.864 1.00 0.00 C ATOM 375 O GLU A 28 -5.026 23.348 13.185 1.00 0.00 O ATOM 376 CB GLU A 28 -5.311 20.463 12.009 1.00 0.00 C ATOM 377 CG GLU A 28 -4.907 19.853 13.358 1.00 0.00 C ATOM 378 CD GLU A 28 -5.534 20.637 14.507 1.00 0.00 C ATOM 379 OE1 GLU A 28 -6.218 21.610 14.233 1.00 0.00 O ATOM 380 OE2 GLU A 28 -5.322 20.253 15.645 1.00 0.00 O ATOM 0 H GLU A 28 -3.006 20.082 11.232 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.822 22.213 10.851 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.340 20.820 12.056 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.273 19.701 11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.226 18.812 13.403 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.821 19.858 13.456 1.00 0.00 H new ATOM 387 N ALA A 29 -3.040 22.355 13.537 1.00 0.00 N ATOM 388 CA ALA A 29 -2.737 23.158 14.719 1.00 0.00 C ATOM 389 C ALA A 29 -2.039 24.459 14.330 1.00 0.00 C ATOM 390 O ALA A 29 -2.263 25.501 14.946 1.00 0.00 O ATOM 391 CB ALA A 29 -1.842 22.364 15.673 1.00 0.00 C ATOM 0 H ALA A 29 -2.320 21.676 13.288 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.677 23.402 15.215 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.620 22.969 16.552 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.355 21.453 15.980 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.912 22.104 15.168 1.00 0.00 H new ATOM 397 N GLU A 30 -1.187 24.392 13.311 1.00 0.00 N ATOM 398 CA GLU A 30 -0.456 25.573 12.857 1.00 0.00 C ATOM 399 C GLU A 30 -1.219 26.299 11.752 1.00 0.00 C ATOM 400 O GLU A 30 -0.984 27.481 11.497 1.00 0.00 O ATOM 401 CB GLU A 30 0.924 25.163 12.339 1.00 0.00 C ATOM 402 CG GLU A 30 1.750 24.582 13.488 1.00 0.00 C ATOM 403 CD GLU A 30 2.190 25.696 14.432 1.00 0.00 C ATOM 404 OE1 GLU A 30 2.198 26.840 14.004 1.00 0.00 O ATOM 405 OE2 GLU A 30 2.514 25.392 15.567 1.00 0.00 O ATOM 0 H GLU A 30 -0.986 23.540 12.787 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.345 26.250 13.704 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.821 24.426 11.543 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.434 26.026 11.911 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.161 23.844 14.033 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.623 24.064 13.093 1.00 0.00 H new ATOM 412 N LEU A 31 -2.131 25.587 11.101 1.00 0.00 N ATOM 413 CA LEU A 31 -2.925 26.175 10.026 1.00 0.00 C ATOM 414 C LEU A 31 -2.017 26.789 8.959 1.00 0.00 C ATOM 415 O LEU A 31 -2.423 27.695 8.231 1.00 0.00 O ATOM 416 CB LEU A 31 -3.859 27.251 10.603 1.00 0.00 C ATOM 417 CG LEU A 31 -5.276 26.687 10.794 1.00 0.00 C ATOM 418 CD1 LEU A 31 -5.904 26.355 9.431 1.00 0.00 C ATOM 419 CD2 LEU A 31 -5.216 25.422 11.661 1.00 0.00 C ATOM 0 H LEU A 31 -2.339 24.608 11.296 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.521 25.390 9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.470 27.605 11.558 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.890 28.111 9.934 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.891 27.437 11.291 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.907 25.956 9.580 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.959 27.260 8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.291 25.613 8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.222 25.024 11.795 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.592 24.674 11.171 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.791 25.668 12.634 1.00 0.00 H new ATOM 431 N ILE A 32 -0.791 26.286 8.865 1.00 0.00 N ATOM 432 CA ILE A 32 0.155 26.792 7.876 1.00 0.00 C ATOM 433 C ILE A 32 -0.099 26.142 6.518 1.00 0.00 C ATOM 434 O ILE A 32 0.019 26.791 5.477 1.00 0.00 O ATOM 435 CB ILE A 32 1.592 26.509 8.329 1.00 0.00 C ATOM 436 CG1 ILE A 32 1.967 27.478 9.454 1.00 0.00 C ATOM 437 CG2 ILE A 32 2.557 26.701 7.155 1.00 0.00 C ATOM 438 CD1 ILE A 32 3.264 27.014 10.120 1.00 0.00 C ATOM 0 H ILE A 32 -0.431 25.536 9.455 1.00 0.00 H new ATOM 0 HA ILE A 32 0.017 27.869 7.782 1.00 0.00 H new ATOM 0 HB ILE A 32 1.660 25.481 8.686 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.091 28.484 9.054 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.165 27.524 10.190 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.576 26.498 7.485 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.292 26.015 6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.490 27.727 6.793 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.529 27.705 10.920 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.123 26.016 10.534 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.065 26.991 9.381 1.00 0.00 H new ATOM 450 N SER A 33 -0.450 24.861 6.535 1.00 0.00 N ATOM 451 CA SER A 33 -0.720 24.134 5.299 1.00 0.00 C ATOM 452 C SER A 33 -2.156 24.375 4.840 1.00 0.00 C ATOM 453 O SER A 33 -2.887 23.433 4.539 1.00 0.00 O ATOM 454 CB SER A 33 -0.496 22.637 5.512 1.00 0.00 C ATOM 455 OG SER A 33 0.891 22.393 5.700 1.00 0.00 O ATOM 0 H SER A 33 -0.554 24.307 7.385 1.00 0.00 H new ATOM 0 HA SER A 33 -0.037 24.496 4.530 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.059 22.293 6.380 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.863 22.077 4.652 1.00 0.00 H new ATOM 0 HG SER A 33 1.039 21.434 5.839 1.00 0.00 H new ATOM 461 N ASP A 34 -2.550 25.644 4.792 1.00 0.00 N ATOM 462 CA ASP A 34 -3.900 25.999 4.370 1.00 0.00 C ATOM 463 C ASP A 34 -4.169 25.500 2.955 1.00 0.00 C ATOM 464 O ASP A 34 -5.314 25.240 2.585 1.00 0.00 O ATOM 465 CB ASP A 34 -4.079 27.518 4.422 1.00 0.00 C ATOM 466 CG ASP A 34 -5.537 27.879 4.157 1.00 0.00 C ATOM 467 OD1 ASP A 34 -6.337 27.737 5.067 1.00 0.00 O ATOM 468 OD2 ASP A 34 -5.832 28.293 3.048 1.00 0.00 O ATOM 0 H ASP A 34 -1.959 26.438 5.038 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.610 25.526 5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.774 27.896 5.398 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.437 27.994 3.681 1.00 0.00 H new ATOM 473 N GLU A 35 -3.108 25.370 2.166 1.00 0.00 N ATOM 474 CA GLU A 35 -3.242 24.903 0.791 1.00 0.00 C ATOM 475 C GLU A 35 -3.900 23.527 0.756 1.00 0.00 C ATOM 476 O GLU A 35 -4.771 23.266 -0.073 1.00 0.00 O ATOM 477 CB GLU A 35 -1.867 24.831 0.126 1.00 0.00 C ATOM 478 CG GLU A 35 -1.029 23.739 0.796 1.00 0.00 C ATOM 479 CD GLU A 35 0.437 23.895 0.407 1.00 0.00 C ATOM 480 OE1 GLU A 35 0.886 25.025 0.311 1.00 0.00 O ATOM 481 OE2 GLU A 35 1.088 22.883 0.210 1.00 0.00 O ATOM 0 H GLU A 35 -2.152 25.580 2.452 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.870 25.608 0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.977 24.618 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.361 25.793 0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.135 23.801 1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.391 22.756 0.496 1.00 0.00 H new ATOM 488 N ALA A 36 -3.478 22.651 1.662 1.00 0.00 N ATOM 489 CA ALA A 36 -4.034 21.304 1.725 1.00 0.00 C ATOM 490 C ALA A 36 -5.521 21.356 2.061 1.00 0.00 C ATOM 491 O ALA A 36 -6.359 20.900 1.282 1.00 0.00 O ATOM 492 CB ALA A 36 -3.296 20.484 2.785 1.00 0.00 C ATOM 0 H ALA A 36 -2.758 22.847 2.358 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.909 20.832 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.717 19.479 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.239 20.424 2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.406 20.963 3.758 1.00 0.00 H new ATOM 498 N GLN A 37 -5.841 21.914 3.224 1.00 0.00 N ATOM 499 CA GLN A 37 -7.231 22.019 3.651 1.00 0.00 C ATOM 500 C GLN A 37 -8.092 22.592 2.531 1.00 0.00 C ATOM 501 O GLN A 37 -9.134 22.034 2.187 1.00 0.00 O ATOM 502 CB GLN A 37 -7.334 22.918 4.886 1.00 0.00 C ATOM 503 CG GLN A 37 -6.344 22.442 5.952 1.00 0.00 C ATOM 504 CD GLN A 37 -6.640 20.994 6.328 1.00 0.00 C ATOM 505 OE1 GLN A 37 -7.767 20.665 6.696 1.00 0.00 O ATOM 506 NE2 GLN A 37 -5.688 20.104 6.256 1.00 0.00 N ATOM 0 H GLN A 37 -5.163 22.297 3.883 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.591 21.020 3.899 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.122 23.952 4.614 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.349 22.894 5.282 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.324 22.528 5.577 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.414 23.077 6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.755 20.379 5.951 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.878 19.133 6.505 1.00 0.00 H new ATOM 515 N ALA A 38 -7.648 23.709 1.963 1.00 0.00 N ATOM 516 CA ALA A 38 -8.386 24.348 0.881 1.00 0.00 C ATOM 517 C ALA A 38 -8.651 23.352 -0.244 1.00 0.00 C ATOM 518 O ALA A 38 -9.798 23.000 -0.515 1.00 0.00 O ATOM 519 CB ALA A 38 -7.591 25.536 0.336 1.00 0.00 C ATOM 0 H ALA A 38 -6.788 24.187 2.232 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.340 24.700 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.150 26.008 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.426 26.260 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.630 25.188 -0.042 1.00 0.00 H new ATOM 525 N ASP A 39 -7.581 22.900 -0.892 1.00 0.00 N ATOM 526 CA ASP A 39 -7.713 21.942 -1.983 1.00 0.00 C ATOM 527 C ASP A 39 -8.672 20.822 -1.598 1.00 0.00 C ATOM 528 O ASP A 39 -9.613 20.518 -2.332 1.00 0.00 O ATOM 529 CB ASP A 39 -6.344 21.350 -2.327 1.00 0.00 C ATOM 530 CG ASP A 39 -6.482 20.351 -3.470 1.00 0.00 C ATOM 531 OD1 ASP A 39 -6.547 20.789 -4.607 1.00 0.00 O ATOM 532 OD2 ASP A 39 -6.520 19.164 -3.194 1.00 0.00 O ATOM 0 H ASP A 39 -6.622 23.179 -0.683 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.112 22.463 -2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.655 22.146 -2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.921 20.858 -1.451 1.00 0.00 H new ATOM 537 N LEU A 40 -8.429 20.211 -0.443 1.00 0.00 N ATOM 538 CA LEU A 40 -9.281 19.124 0.028 1.00 0.00 C ATOM 539 C LEU A 40 -10.736 19.580 0.099 1.00 0.00 C ATOM 540 O LEU A 40 -11.648 18.831 -0.253 1.00 0.00 O ATOM 541 CB LEU A 40 -8.820 18.659 1.413 1.00 0.00 C ATOM 542 CG LEU A 40 -7.455 17.965 1.303 1.00 0.00 C ATOM 543 CD1 LEU A 40 -6.733 18.037 2.650 1.00 0.00 C ATOM 544 CD2 LEU A 40 -7.646 16.495 0.912 1.00 0.00 C ATOM 0 H LEU A 40 -7.656 20.447 0.180 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.204 18.295 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.751 19.512 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.553 17.974 1.839 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.862 18.468 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.764 17.544 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.587 19.080 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.333 17.538 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.673 16.009 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.245 15.991 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.156 16.438 -0.049 1.00 0.00 H new ATOM 556 N ALA A 41 -10.946 20.810 0.556 1.00 0.00 N ATOM 557 CA ALA A 41 -12.294 21.355 0.670 1.00 0.00 C ATOM 558 C ALA A 41 -12.906 21.575 -0.711 1.00 0.00 C ATOM 559 O ALA A 41 -14.007 21.103 -0.993 1.00 0.00 O ATOM 560 CB ALA A 41 -12.261 22.680 1.432 1.00 0.00 C ATOM 0 H ALA A 41 -10.205 21.445 0.852 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.907 20.638 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.272 23.079 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.856 22.516 2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.631 23.391 0.898 1.00 0.00 H new ATOM 566 N LEU A 42 -12.187 22.294 -1.567 1.00 0.00 N ATOM 567 CA LEU A 42 -12.675 22.566 -2.915 1.00 0.00 C ATOM 568 C LEU A 42 -12.698 21.286 -3.743 1.00 0.00 C ATOM 569 O LEU A 42 -13.405 21.195 -4.746 1.00 0.00 O ATOM 570 CB LEU A 42 -11.778 23.601 -3.599 1.00 0.00 C ATOM 571 CG LEU A 42 -11.580 24.804 -2.672 1.00 0.00 C ATOM 572 CD1 LEU A 42 -10.616 25.797 -3.326 1.00 0.00 C ATOM 573 CD2 LEU A 42 -12.928 25.489 -2.424 1.00 0.00 C ATOM 0 H LEU A 42 -11.274 22.695 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.689 22.958 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.814 23.156 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.228 23.923 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.166 24.465 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.474 26.654 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.656 25.311 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.030 26.134 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.785 26.345 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.344 25.828 -3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.615 24.782 -1.958 1.00 0.00 H new ATOM 585 N ARG A 43 -11.918 20.298 -3.314 1.00 0.00 N ATOM 586 CA ARG A 43 -11.856 19.025 -4.023 1.00 0.00 C ATOM 587 C ARG A 43 -13.020 18.127 -3.615 1.00 0.00 C ATOM 588 O ARG A 43 -13.758 17.627 -4.464 1.00 0.00 O ATOM 589 CB ARG A 43 -10.534 18.320 -3.713 1.00 0.00 C ATOM 590 CG ARG A 43 -10.503 16.960 -4.414 1.00 0.00 C ATOM 591 CD ARG A 43 -9.073 16.416 -4.413 1.00 0.00 C ATOM 592 NE ARG A 43 -9.060 15.036 -4.883 1.00 0.00 N ATOM 593 CZ ARG A 43 -7.924 14.433 -5.220 1.00 0.00 C ATOM 594 NH1 ARG A 43 -6.793 15.078 -5.133 1.00 0.00 N ATOM 595 NH2 ARG A 43 -7.941 13.198 -5.639 1.00 0.00 N ATOM 0 H ARG A 43 -11.325 20.353 -2.486 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.922 19.223 -5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.696 18.932 -4.047 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.424 18.189 -2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.169 16.262 -3.906 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.865 17.058 -5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.441 17.032 -5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.656 16.469 -3.407 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.939 14.523 -4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.781 16.044 -4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.921 14.616 -5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.826 12.695 -5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.070 12.735 -5.898 1.00 0.00 H new ATOM 609 N ARG A 44 -13.178 17.927 -2.310 1.00 0.00 N ATOM 610 CA ARG A 44 -14.257 17.087 -1.802 1.00 0.00 C ATOM 611 C ARG A 44 -15.611 17.746 -2.051 1.00 0.00 C ATOM 612 O ARG A 44 -16.658 17.156 -1.782 1.00 0.00 O ATOM 613 CB ARG A 44 -14.069 16.840 -0.303 1.00 0.00 C ATOM 614 CG ARG A 44 -14.405 18.113 0.479 1.00 0.00 C ATOM 615 CD ARG A 44 -13.836 18.011 1.896 1.00 0.00 C ATOM 616 NE ARG A 44 -14.469 18.995 2.767 1.00 0.00 N ATOM 617 CZ ARG A 44 -15.638 18.747 3.349 1.00 0.00 C ATOM 618 NH1 ARG A 44 -16.237 17.605 3.148 1.00 0.00 N ATOM 619 NH2 ARG A 44 -16.186 19.645 4.121 1.00 0.00 N ATOM 0 H ARG A 44 -12.578 18.331 -1.591 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.229 16.133 -2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.711 16.022 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.041 16.539 -0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.990 18.984 -0.029 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.485 18.253 0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.000 17.008 2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.758 18.173 1.875 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.007 19.889 2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.808 16.903 2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.134 17.414 3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.717 20.537 4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.083 19.455 4.568 1.00 0.00 H new ATOM 633 N SER A 45 -15.583 18.971 -2.566 1.00 0.00 N ATOM 634 CA SER A 45 -16.815 19.699 -2.848 1.00 0.00 C ATOM 635 C SER A 45 -17.838 18.781 -3.510 1.00 0.00 C ATOM 636 O SER A 45 -17.524 18.080 -4.472 1.00 0.00 O ATOM 637 CB SER A 45 -16.523 20.886 -3.767 1.00 0.00 C ATOM 638 OG SER A 45 -15.760 20.441 -4.881 1.00 0.00 O ATOM 0 H SER A 45 -14.728 19.477 -2.795 1.00 0.00 H new ATOM 0 HA SER A 45 -17.224 20.063 -1.905 1.00 0.00 H new ATOM 0 HB2 SER A 45 -17.456 21.336 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.977 21.657 -3.222 1.00 0.00 H new ATOM 0 HG SER A 45 -15.048 21.087 -5.069 1.00 0.00 H new ATOM 644 N LEU A 46 -19.058 18.787 -2.986 1.00 0.00 N ATOM 645 CA LEU A 46 -20.116 17.945 -3.534 1.00 0.00 C ATOM 646 C LEU A 46 -20.363 18.289 -5.000 1.00 0.00 C ATOM 647 O LEU A 46 -20.510 17.399 -5.839 1.00 0.00 O ATOM 648 CB LEU A 46 -21.407 18.138 -2.725 1.00 0.00 C ATOM 649 CG LEU A 46 -22.170 16.809 -2.610 1.00 0.00 C ATOM 650 CD1 LEU A 46 -22.414 16.229 -4.009 1.00 0.00 C ATOM 651 CD2 LEU A 46 -21.359 15.808 -1.768 1.00 0.00 C ATOM 0 H LEU A 46 -19.338 19.360 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 46 -19.805 16.903 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -21.168 18.515 -1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -22.037 18.886 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 46 -23.128 16.990 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -22.955 15.287 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -23.003 16.933 -4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -21.458 16.054 -4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -21.907 14.869 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -20.395 15.628 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -21.199 16.217 -0.770 1.00 0.00 H new ATOM 663 N ASP A 47 -20.404 19.581 -5.302 1.00 0.00 N ATOM 664 CA ASP A 47 -20.631 20.030 -6.670 1.00 0.00 C ATOM 665 C ASP A 47 -19.509 19.541 -7.580 1.00 0.00 C ATOM 666 O ASP A 47 -19.724 19.295 -8.766 1.00 0.00 O ATOM 667 CB ASP A 47 -20.698 21.558 -6.715 1.00 0.00 C ATOM 668 CG ASP A 47 -21.557 22.076 -5.566 1.00 0.00 C ATOM 669 OD1 ASP A 47 -22.739 21.771 -5.551 1.00 0.00 O ATOM 670 OD2 ASP A 47 -21.021 22.769 -4.716 1.00 0.00 O ATOM 0 H ASP A 47 -20.284 20.332 -4.623 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.577 19.617 -7.019 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.694 21.977 -6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.115 21.884 -7.668 1.00 0.00 H new ATOM 675 N SER A 48 -18.316 19.401 -7.009 1.00 0.00 N ATOM 676 CA SER A 48 -17.151 18.938 -7.757 1.00 0.00 C ATOM 677 C SER A 48 -17.113 19.554 -9.151 1.00 0.00 C ATOM 678 O SER A 48 -16.391 20.520 -9.396 1.00 0.00 O ATOM 679 CB SER A 48 -17.180 17.413 -7.871 1.00 0.00 C ATOM 680 OG SER A 48 -15.982 16.966 -8.491 1.00 0.00 O ATOM 0 H SER A 48 -18.130 19.603 -6.027 1.00 0.00 H new ATOM 0 HA SER A 48 -16.256 19.250 -7.219 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.281 16.965 -6.883 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.045 17.097 -8.454 1.00 0.00 H new ATOM 0 HG SER A 48 -16.165 16.729 -9.424 1.00 0.00 H new ATOM 686 N TYR A 49 -17.894 18.984 -10.058 1.00 0.00 N ATOM 687 CA TYR A 49 -17.952 19.473 -11.435 1.00 0.00 C ATOM 688 C TYR A 49 -19.260 20.231 -11.674 1.00 0.00 C ATOM 689 O TYR A 49 -20.282 19.922 -11.062 1.00 0.00 O ATOM 690 CB TYR A 49 -17.854 18.291 -12.406 1.00 0.00 C ATOM 691 CG TYR A 49 -16.998 17.206 -11.797 1.00 0.00 C ATOM 692 CD1 TYR A 49 -17.563 16.290 -10.901 1.00 0.00 C ATOM 693 CD2 TYR A 49 -15.641 17.115 -12.128 1.00 0.00 C ATOM 694 CE1 TYR A 49 -16.770 15.284 -10.336 1.00 0.00 C ATOM 695 CE2 TYR A 49 -14.848 16.109 -11.564 1.00 0.00 C ATOM 696 CZ TYR A 49 -15.413 15.193 -10.668 1.00 0.00 C ATOM 697 OH TYR A 49 -14.633 14.201 -10.111 1.00 0.00 O ATOM 0 H TYR A 49 -18.497 18.183 -9.869 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.116 20.152 -11.604 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -18.849 17.904 -12.625 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -17.424 18.619 -13.352 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.610 16.360 -10.646 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -15.206 17.822 -12.819 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -17.205 14.578 -9.644 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -13.801 16.039 -11.820 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.716 14.278 -10.447 1.00 0.00 H new ATOM 707 N PRO A 50 -19.250 21.207 -12.547 1.00 0.00 N ATOM 708 CA PRO A 50 -20.468 22.012 -12.862 1.00 0.00 C ATOM 709 C PRO A 50 -21.522 21.185 -13.597 1.00 0.00 C ATOM 710 O PRO A 50 -21.314 20.006 -13.880 1.00 0.00 O ATOM 711 CB PRO A 50 -19.942 23.148 -13.747 1.00 0.00 C ATOM 712 CG PRO A 50 -18.682 22.623 -14.352 1.00 0.00 C ATOM 713 CD PRO A 50 -18.085 21.655 -13.330 1.00 0.00 C ATOM 0 HA PRO A 50 -20.966 22.372 -11.962 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -20.666 23.415 -14.516 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -19.752 24.048 -13.161 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.886 22.116 -15.295 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -17.988 23.435 -14.570 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -17.585 20.818 -13.817 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -17.344 22.146 -12.699 1.00 0.00 H new ATOM 721 N VAL A 51 -22.652 21.814 -13.903 1.00 0.00 N ATOM 722 CA VAL A 51 -23.730 21.129 -14.603 1.00 0.00 C ATOM 723 C VAL A 51 -23.415 21.010 -16.090 1.00 0.00 C ATOM 724 O VAL A 51 -22.690 21.833 -16.649 1.00 0.00 O ATOM 725 CB VAL A 51 -25.038 21.896 -14.417 1.00 0.00 C ATOM 726 CG1 VAL A 51 -24.861 23.334 -14.907 1.00 0.00 C ATOM 727 CG2 VAL A 51 -26.143 21.217 -15.224 1.00 0.00 C ATOM 0 H VAL A 51 -22.844 22.790 -13.679 1.00 0.00 H new ATOM 0 HA VAL A 51 -23.831 20.127 -14.185 1.00 0.00 H new ATOM 0 HB VAL A 51 -25.308 21.903 -13.361 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -25.794 23.881 -14.774 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -24.071 23.819 -14.333 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -24.591 23.328 -15.963 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -27.077 21.763 -15.093 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -25.871 21.211 -16.280 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -26.270 20.192 -14.876 1.00 0.00 H new ATOM 737 N SER A 52 -23.967 19.980 -16.726 1.00 0.00 N ATOM 738 CA SER A 52 -23.743 19.756 -18.151 1.00 0.00 C ATOM 739 C SER A 52 -25.067 19.512 -18.867 1.00 0.00 C ATOM 740 O SER A 52 -25.877 18.694 -18.433 1.00 0.00 O ATOM 741 CB SER A 52 -22.824 18.551 -18.351 1.00 0.00 C ATOM 742 OG SER A 52 -23.283 17.473 -17.547 1.00 0.00 O ATOM 0 H SER A 52 -24.570 19.290 -16.279 1.00 0.00 H new ATOM 0 HA SER A 52 -23.273 20.645 -18.571 1.00 0.00 H new ATOM 0 HB2 SER A 52 -22.813 18.258 -19.401 1.00 0.00 H new ATOM 0 HB3 SER A 52 -21.800 18.811 -18.081 1.00 0.00 H new ATOM 0 HG SER A 52 -24.253 17.380 -17.648 1.00 0.00 H new ATOM 748 N LYS A 53 -25.280 20.229 -19.966 1.00 0.00 N ATOM 749 CA LYS A 53 -26.512 20.082 -20.734 1.00 0.00 C ATOM 750 C LYS A 53 -26.513 18.761 -21.498 1.00 0.00 C ATOM 751 O LYS A 53 -25.495 18.072 -21.565 1.00 0.00 O ATOM 752 CB LYS A 53 -26.656 21.244 -21.718 1.00 0.00 C ATOM 753 CG LYS A 53 -26.563 22.569 -20.959 1.00 0.00 C ATOM 754 CD LYS A 53 -27.074 23.704 -21.848 1.00 0.00 C ATOM 755 CE LYS A 53 -27.028 25.021 -21.071 1.00 0.00 C ATOM 756 NZ LYS A 53 -25.612 25.455 -20.915 1.00 0.00 N ATOM 0 H LYS A 53 -24.622 20.912 -20.342 1.00 0.00 H new ATOM 0 HA LYS A 53 -27.353 20.088 -20.041 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -25.875 21.191 -22.476 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -27.611 21.177 -22.239 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.151 22.517 -20.043 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -25.531 22.760 -20.665 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -26.463 23.779 -22.748 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.094 23.496 -22.172 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -27.598 25.786 -21.597 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -27.491 24.895 -20.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -25.585 26.437 -20.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -25.133 24.836 -20.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -25.127 25.395 -21.833 1.00 0.00 H new ATOM 770 N ASN A 54 -27.661 18.416 -22.070 1.00 0.00 N ATOM 771 CA ASN A 54 -27.783 17.173 -22.825 1.00 0.00 C ATOM 772 C ASN A 54 -27.494 15.973 -21.931 1.00 0.00 C ATOM 773 O ASN A 54 -27.117 14.904 -22.411 1.00 0.00 O ATOM 774 CB ASN A 54 -26.808 17.183 -24.005 1.00 0.00 C ATOM 775 CG ASN A 54 -26.857 18.533 -24.711 1.00 0.00 C ATOM 776 OD1 ASN A 54 -27.937 19.033 -25.023 1.00 0.00 O ATOM 777 ND2 ASN A 54 -25.743 19.157 -24.983 1.00 0.00 N ATOM 0 H ASN A 54 -28.514 18.973 -22.027 1.00 0.00 H new ATOM 0 HA ASN A 54 -28.804 17.094 -23.199 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -25.796 16.984 -23.653 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -27.064 16.388 -24.705 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -25.767 20.061 -25.455 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -24.849 18.741 -24.723 1.00 0.00 H new ATOM 784 N ASP A 55 -27.672 16.160 -20.626 1.00 0.00 N ATOM 785 CA ASP A 55 -27.428 15.091 -19.664 1.00 0.00 C ATOM 786 C ASP A 55 -25.939 14.772 -19.583 1.00 0.00 C ATOM 787 O ASP A 55 -25.501 14.030 -18.703 1.00 0.00 O ATOM 788 CB ASP A 55 -28.205 13.834 -20.068 1.00 0.00 C ATOM 789 CG ASP A 55 -28.400 12.926 -18.857 1.00 0.00 C ATOM 790 OD1 ASP A 55 -27.420 12.358 -18.403 1.00 0.00 O ATOM 791 OD2 ASP A 55 -29.526 12.813 -18.401 1.00 0.00 O ATOM 0 H ASP A 55 -27.983 17.039 -20.212 1.00 0.00 H new ATOM 0 HA ASP A 55 -27.768 15.425 -18.684 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -29.174 14.113 -20.483 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -27.666 13.299 -20.850 1.00 0.00 H new ATOM 796 N GLY A 56 -25.168 15.333 -20.509 1.00 0.00 N ATOM 797 CA GLY A 56 -23.730 15.096 -20.535 1.00 0.00 C ATOM 798 C GLY A 56 -23.418 13.794 -21.259 1.00 0.00 C ATOM 799 O GLY A 56 -22.344 13.219 -21.094 1.00 0.00 O ATOM 0 H GLY A 56 -25.511 15.950 -21.245 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -23.228 15.925 -21.033 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -23.344 15.054 -19.517 1.00 0.00 H new ATOM 803 N THR A 57 -24.375 13.336 -22.060 1.00 0.00 N ATOM 804 CA THR A 57 -24.211 12.096 -22.812 1.00 0.00 C ATOM 805 C THR A 57 -22.784 11.961 -23.337 1.00 0.00 C ATOM 806 O THR A 57 -22.445 12.501 -24.390 1.00 0.00 O ATOM 807 CB THR A 57 -25.198 12.071 -23.984 1.00 0.00 C ATOM 808 OG1 THR A 57 -26.410 12.700 -23.592 1.00 0.00 O ATOM 809 CG2 THR A 57 -25.482 10.624 -24.388 1.00 0.00 C ATOM 0 H THR A 57 -25.270 13.803 -22.205 1.00 0.00 H new ATOM 0 HA THR A 57 -24.412 11.258 -22.144 1.00 0.00 H new ATOM 0 HB THR A 57 -24.767 12.603 -24.832 1.00 0.00 H new ATOM 0 HG1 THR A 57 -26.273 13.669 -23.536 1.00 0.00 H new ATOM 0 HG21 THR A 57 -26.184 10.610 -25.222 1.00 0.00 H new ATOM 0 HG22 THR A 57 -24.552 10.141 -24.689 1.00 0.00 H new ATOM 0 HG23 THR A 57 -25.912 10.088 -23.542 1.00 0.00 H new ATOM 817 N ARG A 58 -21.952 11.232 -22.597 1.00 0.00 N ATOM 818 CA ARG A 58 -20.566 11.027 -22.995 1.00 0.00 C ATOM 819 C ARG A 58 -20.464 9.850 -23.967 1.00 0.00 C ATOM 820 O ARG A 58 -21.242 8.899 -23.879 1.00 0.00 O ATOM 821 CB ARG A 58 -19.709 10.745 -21.759 1.00 0.00 C ATOM 822 CG ARG A 58 -19.984 11.805 -20.690 1.00 0.00 C ATOM 823 CD ARG A 58 -18.860 11.790 -19.653 1.00 0.00 C ATOM 824 NE ARG A 58 -18.672 10.442 -19.131 1.00 0.00 N ATOM 825 CZ ARG A 58 -17.681 10.163 -18.289 1.00 0.00 C ATOM 826 NH1 ARG A 58 -16.857 11.104 -17.917 1.00 0.00 N ATOM 827 NH2 ARG A 58 -17.533 8.948 -17.837 1.00 0.00 N ATOM 0 H ARG A 58 -22.214 10.776 -21.723 1.00 0.00 H new ATOM 0 HA ARG A 58 -20.205 11.929 -23.489 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -19.933 9.753 -21.368 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -18.653 10.751 -22.028 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -20.055 12.791 -21.150 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -20.941 11.609 -20.207 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.934 12.145 -20.105 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -19.099 12.473 -18.838 1.00 0.00 H new ATOM 0 HE ARG A 58 -19.311 9.700 -19.416 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.973 12.053 -18.272 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.097 10.890 -17.271 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -18.177 8.213 -18.129 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.773 8.733 -17.191 1.00 0.00 H new ATOM 841 N PRO A 59 -19.526 9.892 -24.882 1.00 0.00 N ATOM 842 CA PRO A 59 -19.323 8.805 -25.876 1.00 0.00 C ATOM 843 C PRO A 59 -19.490 7.417 -25.264 1.00 0.00 C ATOM 844 O PRO A 59 -19.668 7.271 -24.055 1.00 0.00 O ATOM 845 CB PRO A 59 -17.884 9.020 -26.349 1.00 0.00 C ATOM 846 CG PRO A 59 -17.626 10.484 -26.184 1.00 0.00 C ATOM 847 CD PRO A 59 -18.560 10.983 -25.073 1.00 0.00 C ATOM 0 HA PRO A 59 -20.058 8.845 -26.680 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -17.184 8.429 -25.759 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -17.762 8.714 -27.388 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.584 10.664 -25.921 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -17.817 11.016 -27.116 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -18.009 11.190 -24.155 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -19.059 11.908 -25.361 1.00 0.00 H new ATOM 855 N LYS A 60 -19.423 6.403 -26.114 1.00 0.00 N ATOM 856 CA LYS A 60 -19.563 5.020 -25.665 1.00 0.00 C ATOM 857 C LYS A 60 -18.199 4.342 -25.588 1.00 0.00 C ATOM 858 O LYS A 60 -17.163 4.996 -25.709 1.00 0.00 O ATOM 859 CB LYS A 60 -20.463 4.247 -26.631 1.00 0.00 C ATOM 860 CG LYS A 60 -19.946 4.419 -28.061 1.00 0.00 C ATOM 861 CD LYS A 60 -20.709 3.479 -28.996 1.00 0.00 C ATOM 862 CE LYS A 60 -20.310 3.764 -30.445 1.00 0.00 C ATOM 863 NZ LYS A 60 -18.824 3.818 -30.551 1.00 0.00 N ATOM 0 H LYS A 60 -19.273 6.508 -27.117 1.00 0.00 H new ATOM 0 HA LYS A 60 -20.012 5.023 -24.672 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -20.478 3.190 -26.363 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -21.488 4.609 -26.558 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -20.074 5.452 -28.383 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.879 4.202 -28.102 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -20.489 2.442 -28.745 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.783 3.616 -28.870 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -20.704 2.988 -31.101 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -20.743 4.709 -30.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.543 3.705 -31.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.484 4.735 -30.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.407 3.052 -29.985 1.00 0.00 H new ATOM 877 N MET A 61 -18.206 3.026 -25.386 1.00 0.00 N ATOM 878 CA MET A 61 -16.965 2.264 -25.294 1.00 0.00 C ATOM 879 C MET A 61 -16.938 1.155 -26.341 1.00 0.00 C ATOM 880 O MET A 61 -17.831 0.309 -26.387 1.00 0.00 O ATOM 881 CB MET A 61 -16.831 1.652 -23.897 1.00 0.00 C ATOM 882 CG MET A 61 -18.050 0.776 -23.596 1.00 0.00 C ATOM 883 SD MET A 61 -18.179 0.518 -21.808 1.00 0.00 S ATOM 884 CE MET A 61 -19.772 -0.344 -21.807 1.00 0.00 C ATOM 0 H MET A 61 -19.054 2.468 -25.283 1.00 0.00 H new ATOM 0 HA MET A 61 -16.130 2.941 -25.477 1.00 0.00 H new ATOM 0 HB2 MET A 61 -15.920 1.057 -23.837 1.00 0.00 H new ATOM 0 HB3 MET A 61 -16.746 2.442 -23.151 1.00 0.00 H new ATOM 0 HG2 MET A 61 -18.956 1.252 -23.972 1.00 0.00 H new ATOM 0 HG3 MET A 61 -17.958 -0.182 -24.107 1.00 0.00 H new ATOM 0 HE1 MET A 61 -20.046 -0.600 -20.784 1.00 0.00 H new ATOM 0 HE2 MET A 61 -20.536 0.304 -22.236 1.00 0.00 H new ATOM 0 HE3 MET A 61 -19.693 -1.255 -22.400 1.00 0.00 H new ATOM 894 N THR A 62 -15.907 1.166 -27.180 1.00 0.00 N ATOM 895 CA THR A 62 -15.773 0.158 -28.226 1.00 0.00 C ATOM 896 C THR A 62 -15.185 -1.131 -27.649 1.00 0.00 C ATOM 897 O THR A 62 -14.407 -1.090 -26.696 1.00 0.00 O ATOM 898 CB THR A 62 -14.863 0.683 -29.340 1.00 0.00 C ATOM 899 OG1 THR A 62 -13.511 0.382 -29.025 1.00 0.00 O ATOM 900 CG2 THR A 62 -15.034 2.197 -29.472 1.00 0.00 C ATOM 0 H THR A 62 -15.157 1.857 -27.157 1.00 0.00 H new ATOM 0 HA THR A 62 -16.761 -0.055 -28.634 1.00 0.00 H new ATOM 0 HB THR A 62 -15.132 0.207 -30.283 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.927 0.716 -29.738 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.385 2.569 -30.265 1.00 0.00 H new ATOM 0 HG22 THR A 62 -16.072 2.426 -29.714 1.00 0.00 H new ATOM 0 HG23 THR A 62 -14.767 2.677 -28.530 1.00 0.00 H new ATOM 908 N PRO A 63 -15.535 -2.267 -28.202 1.00 0.00 N ATOM 909 CA PRO A 63 -15.021 -3.581 -27.725 1.00 0.00 C ATOM 910 C PRO A 63 -13.554 -3.509 -27.307 1.00 0.00 C ATOM 911 O PRO A 63 -13.143 -4.141 -26.334 1.00 0.00 O ATOM 912 CB PRO A 63 -15.208 -4.487 -28.940 1.00 0.00 C ATOM 913 CG PRO A 63 -16.392 -3.931 -29.666 1.00 0.00 C ATOM 914 CD PRO A 63 -16.455 -2.431 -29.342 1.00 0.00 C ATOM 0 HA PRO A 63 -15.542 -3.936 -26.836 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.321 -4.484 -29.573 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.381 -5.520 -28.638 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.295 -4.090 -30.740 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.307 -4.432 -29.351 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.145 -1.826 -30.194 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -17.468 -2.122 -29.084 1.00 0.00 H new ATOM 922 N GLU A 64 -12.770 -2.734 -28.050 1.00 0.00 N ATOM 923 CA GLU A 64 -11.352 -2.587 -27.747 1.00 0.00 C ATOM 924 C GLU A 64 -11.164 -1.841 -26.429 1.00 0.00 C ATOM 925 O GLU A 64 -10.250 -2.141 -25.660 1.00 0.00 O ATOM 926 CB GLU A 64 -10.655 -1.821 -28.872 1.00 0.00 C ATOM 927 CG GLU A 64 -9.139 -1.973 -28.733 1.00 0.00 C ATOM 928 CD GLU A 64 -8.437 -1.282 -29.896 1.00 0.00 C ATOM 929 OE1 GLU A 64 -9.128 -0.799 -30.778 1.00 0.00 O ATOM 930 OE2 GLU A 64 -7.217 -1.246 -29.889 1.00 0.00 O ATOM 0 H GLU A 64 -13.090 -2.202 -28.860 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.912 -3.580 -27.658 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.981 -2.200 -29.840 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.930 -0.767 -28.833 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.807 -1.541 -27.789 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.872 -3.029 -28.712 1.00 0.00 H new ATOM 937 N GLN A 65 -12.037 -0.871 -26.174 1.00 0.00 N ATOM 938 CA GLN A 65 -11.959 -0.089 -24.946 1.00 0.00 C ATOM 939 C GLN A 65 -12.195 -0.977 -23.730 1.00 0.00 C ATOM 940 O GLN A 65 -11.295 -1.181 -22.914 1.00 0.00 O ATOM 941 CB GLN A 65 -13.001 1.031 -24.973 1.00 0.00 C ATOM 942 CG GLN A 65 -12.692 1.990 -26.123 1.00 0.00 C ATOM 943 CD GLN A 65 -11.396 2.743 -25.840 1.00 0.00 C ATOM 944 OE1 GLN A 65 -10.353 2.421 -26.409 1.00 0.00 O ATOM 945 NE2 GLN A 65 -11.399 3.733 -24.989 1.00 0.00 N ATOM 0 H GLN A 65 -12.801 -0.609 -26.797 1.00 0.00 H new ATOM 0 HA GLN A 65 -10.962 0.345 -24.876 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.999 0.610 -25.095 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.996 1.570 -24.025 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.603 1.435 -27.057 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.513 2.696 -26.249 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.264 3.998 -24.518 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.536 4.241 -24.795 1.00 0.00 H new ATOM 954 N MET A 66 -13.411 -1.503 -23.612 1.00 0.00 N ATOM 955 CA MET A 66 -13.751 -2.367 -22.488 1.00 0.00 C ATOM 956 C MET A 66 -12.784 -3.545 -22.408 1.00 0.00 C ATOM 957 O MET A 66 -12.375 -3.950 -21.319 1.00 0.00 O ATOM 958 CB MET A 66 -15.187 -2.882 -22.636 1.00 0.00 C ATOM 959 CG MET A 66 -15.469 -3.226 -24.102 1.00 0.00 C ATOM 960 SD MET A 66 -16.748 -4.505 -24.184 1.00 0.00 S ATOM 961 CE MET A 66 -18.180 -3.418 -23.969 1.00 0.00 C ATOM 0 H MET A 66 -14.171 -1.348 -24.275 1.00 0.00 H new ATOM 0 HA MET A 66 -13.672 -1.786 -21.569 1.00 0.00 H new ATOM 0 HB2 MET A 66 -15.332 -3.764 -22.012 1.00 0.00 H new ATOM 0 HB3 MET A 66 -15.891 -2.126 -22.289 1.00 0.00 H new ATOM 0 HG2 MET A 66 -15.795 -2.336 -24.640 1.00 0.00 H new ATOM 0 HG3 MET A 66 -14.558 -3.576 -24.587 1.00 0.00 H new ATOM 0 HE1 MET A 66 -19.094 -4.012 -23.989 1.00 0.00 H new ATOM 0 HE2 MET A 66 -18.104 -2.901 -23.013 1.00 0.00 H new ATOM 0 HE3 MET A 66 -18.206 -2.686 -24.776 1.00 0.00 H new ATOM 971 N ALA A 67 -12.424 -4.091 -23.564 1.00 0.00 N ATOM 972 CA ALA A 67 -11.503 -5.221 -23.607 1.00 0.00 C ATOM 973 C ALA A 67 -10.191 -4.871 -22.914 1.00 0.00 C ATOM 974 O ALA A 67 -9.700 -5.626 -22.076 1.00 0.00 O ATOM 975 CB ALA A 67 -11.226 -5.616 -25.059 1.00 0.00 C ATOM 0 H ALA A 67 -12.752 -3.773 -24.476 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.964 -6.059 -23.085 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.537 -6.461 -25.081 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -12.161 -5.897 -25.544 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.782 -4.772 -25.587 1.00 0.00 H new ATOM 981 N LYS A 68 -9.629 -3.719 -23.267 1.00 0.00 N ATOM 982 CA LYS A 68 -8.373 -3.278 -22.672 1.00 0.00 C ATOM 983 C LYS A 68 -8.556 -2.995 -21.184 1.00 0.00 C ATOM 984 O LYS A 68 -7.832 -3.532 -20.346 1.00 0.00 O ATOM 985 CB LYS A 68 -7.874 -2.016 -23.378 1.00 0.00 C ATOM 986 CG LYS A 68 -6.563 -1.555 -22.739 1.00 0.00 C ATOM 987 CD LYS A 68 -5.882 -0.535 -23.652 1.00 0.00 C ATOM 988 CE LYS A 68 -4.685 0.082 -22.926 1.00 0.00 C ATOM 989 NZ LYS A 68 -5.170 1.041 -21.895 1.00 0.00 N ATOM 0 H LYS A 68 -10.020 -3.078 -23.957 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.637 -4.073 -22.791 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.723 -2.216 -24.439 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.622 -1.227 -23.306 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.758 -1.112 -21.763 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.906 -2.409 -22.576 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.553 -1.018 -24.572 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.590 0.244 -23.936 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.087 -0.700 -22.458 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.038 0.594 -23.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.389 1.664 -21.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.942 1.615 -22.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.518 0.515 -21.068 1.00 0.00 H new ATOM 1003 N GLU A 69 -9.529 -2.148 -20.864 1.00 0.00 N ATOM 1004 CA GLU A 69 -9.799 -1.801 -19.473 1.00 0.00 C ATOM 1005 C GLU A 69 -10.046 -3.057 -18.644 1.00 0.00 C ATOM 1006 O GLU A 69 -9.429 -3.252 -17.596 1.00 0.00 O ATOM 1007 CB GLU A 69 -11.022 -0.885 -19.391 1.00 0.00 C ATOM 1008 CG GLU A 69 -10.736 0.420 -20.137 1.00 0.00 C ATOM 1009 CD GLU A 69 -9.659 1.213 -19.406 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -9.876 1.545 -18.253 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -8.633 1.479 -20.012 1.00 0.00 O ATOM 0 H GLU A 69 -10.139 -1.692 -21.543 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.928 -1.282 -19.073 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.890 -1.381 -19.825 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.263 -0.675 -18.349 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.412 0.203 -21.155 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.648 1.013 -20.212 1.00 0.00 H new ATOM 1018 N MET A 70 -10.950 -3.906 -19.121 1.00 0.00 N ATOM 1019 CA MET A 70 -11.269 -5.141 -18.413 1.00 0.00 C ATOM 1020 C MET A 70 -10.011 -5.973 -18.192 1.00 0.00 C ATOM 1021 O MET A 70 -9.603 -6.209 -17.055 1.00 0.00 O ATOM 1022 CB MET A 70 -12.287 -5.954 -19.217 1.00 0.00 C ATOM 1023 CG MET A 70 -13.658 -5.281 -19.136 1.00 0.00 C ATOM 1024 SD MET A 70 -14.745 -5.972 -20.407 1.00 0.00 S ATOM 1025 CE MET A 70 -15.444 -7.308 -19.408 1.00 0.00 C ATOM 0 H MET A 70 -11.471 -3.764 -19.987 1.00 0.00 H new ATOM 0 HA MET A 70 -11.694 -4.883 -17.443 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.968 -6.029 -20.257 1.00 0.00 H new ATOM 0 HB3 MET A 70 -12.346 -6.970 -18.827 1.00 0.00 H new ATOM 0 HG2 MET A 70 -14.092 -5.434 -18.148 1.00 0.00 H new ATOM 0 HG3 MET A 70 -13.556 -4.205 -19.276 1.00 0.00 H new ATOM 0 HE1 MET A 70 -16.156 -7.876 -20.007 1.00 0.00 H new ATOM 0 HE2 MET A 70 -14.644 -7.968 -19.073 1.00 0.00 H new ATOM 0 HE3 MET A 70 -15.953 -6.886 -18.542 1.00 0.00 H new ATOM 1035 N SER A 71 -9.399 -6.414 -19.286 1.00 0.00 N ATOM 1036 CA SER A 71 -8.185 -7.219 -19.200 1.00 0.00 C ATOM 1037 C SER A 71 -7.178 -6.569 -18.256 1.00 0.00 C ATOM 1038 O SER A 71 -6.410 -7.257 -17.584 1.00 0.00 O ATOM 1039 CB SER A 71 -7.562 -7.374 -20.588 1.00 0.00 C ATOM 1040 OG SER A 71 -6.251 -7.908 -20.456 1.00 0.00 O ATOM 0 H SER A 71 -9.720 -6.230 -20.236 1.00 0.00 H new ATOM 0 HA SER A 71 -8.449 -8.202 -18.810 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.175 -8.032 -21.203 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.525 -6.409 -21.093 1.00 0.00 H new ATOM 0 HG SER A 71 -5.849 -8.010 -21.344 1.00 0.00 H new ATOM 1046 N GLU A 72 -7.188 -5.241 -18.213 1.00 0.00 N ATOM 1047 CA GLU A 72 -6.270 -4.508 -17.348 1.00 0.00 C ATOM 1048 C GLU A 72 -6.682 -4.651 -15.886 1.00 0.00 C ATOM 1049 O GLU A 72 -5.835 -4.795 -15.004 1.00 0.00 O ATOM 1050 CB GLU A 72 -6.256 -3.028 -17.734 1.00 0.00 C ATOM 1051 CG GLU A 72 -5.085 -2.330 -17.042 1.00 0.00 C ATOM 1052 CD GLU A 72 -5.203 -0.819 -17.215 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -6.079 -0.238 -16.596 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -4.414 -0.265 -17.962 1.00 0.00 O ATOM 0 H GLU A 72 -7.816 -4.654 -18.762 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.271 -4.925 -17.475 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.167 -2.924 -18.815 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.196 -2.557 -17.445 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.075 -2.583 -15.982 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.142 -2.680 -17.462 1.00 0.00 H new ATOM 1061 N PHE A 73 -7.986 -4.610 -15.636 1.00 0.00 N ATOM 1062 CA PHE A 73 -8.498 -4.737 -14.277 1.00 0.00 C ATOM 1063 C PHE A 73 -8.250 -6.142 -13.739 1.00 0.00 C ATOM 1064 O PHE A 73 -7.722 -6.313 -12.640 1.00 0.00 O ATOM 1065 CB PHE A 73 -9.998 -4.436 -14.253 1.00 0.00 C ATOM 1066 CG PHE A 73 -10.446 -4.211 -12.829 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -10.278 -2.956 -12.231 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -11.030 -5.257 -12.104 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -10.693 -2.747 -10.911 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -11.444 -5.048 -10.782 1.00 0.00 C ATOM 1071 CZ PHE A 73 -11.276 -3.793 -10.186 1.00 0.00 C ATOM 0 H PHE A 73 -8.703 -4.491 -16.351 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.974 -4.021 -13.644 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.212 -3.554 -14.856 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.553 -5.265 -14.693 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.828 -2.148 -12.789 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.161 -6.225 -12.564 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -10.563 -1.778 -10.451 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.893 -5.856 -10.223 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.596 -3.632 -9.167 1.00 0.00 H new ATOM 1081 N LEU A 74 -8.634 -7.146 -14.522 1.00 0.00 N ATOM 1082 CA LEU A 74 -8.448 -8.534 -14.114 1.00 0.00 C ATOM 1083 C LEU A 74 -6.963 -8.851 -13.964 1.00 0.00 C ATOM 1084 O LEU A 74 -6.587 -9.784 -13.254 1.00 0.00 O ATOM 1085 CB LEU A 74 -9.070 -9.472 -15.151 1.00 0.00 C ATOM 1086 CG LEU A 74 -10.497 -9.017 -15.471 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -11.062 -9.872 -16.607 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -11.378 -9.175 -14.227 1.00 0.00 C ATOM 0 H LEU A 74 -9.072 -7.026 -15.435 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.940 -8.681 -13.152 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.467 -9.476 -16.059 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.081 -10.494 -14.771 1.00 0.00 H new ATOM 0 HG LEU A 74 -10.483 -7.970 -15.775 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -12.078 -9.549 -16.835 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.437 -9.759 -17.493 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.074 -10.919 -16.303 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.393 -8.851 -14.456 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.392 -10.221 -13.921 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.977 -8.566 -13.417 1.00 0.00 H new ATOM 1100 N SER A 75 -6.126 -8.069 -14.636 1.00 0.00 N ATOM 1101 CA SER A 75 -4.683 -8.276 -14.571 1.00 0.00 C ATOM 1102 C SER A 75 -4.339 -9.743 -14.804 1.00 0.00 C ATOM 1103 O SER A 75 -4.424 -10.564 -13.891 1.00 0.00 O ATOM 1104 CB SER A 75 -4.155 -7.839 -13.204 1.00 0.00 C ATOM 1105 OG SER A 75 -2.843 -8.351 -13.021 1.00 0.00 O ATOM 0 H SER A 75 -6.418 -7.291 -15.228 1.00 0.00 H new ATOM 0 HA SER A 75 -4.214 -7.677 -15.352 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.146 -6.751 -13.136 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.813 -8.202 -12.414 1.00 0.00 H new ATOM 0 HG SER A 75 -2.502 -8.071 -12.146 1.00 0.00 H new ATOM 1111 N ARG A 76 -3.951 -10.066 -16.034 1.00 0.00 N ATOM 1112 CA ARG A 76 -3.596 -11.438 -16.376 1.00 0.00 C ATOM 1113 C ARG A 76 -2.466 -11.937 -15.483 1.00 0.00 C ATOM 1114 O ARG A 76 -2.395 -13.122 -15.157 1.00 0.00 O ATOM 1115 CB ARG A 76 -3.162 -11.515 -17.843 1.00 0.00 C ATOM 1116 CG ARG A 76 -4.370 -11.271 -18.757 1.00 0.00 C ATOM 1117 CD ARG A 76 -5.093 -12.593 -19.028 1.00 0.00 C ATOM 1118 NE ARG A 76 -4.186 -13.544 -19.661 1.00 0.00 N ATOM 1119 CZ ARG A 76 -3.897 -13.462 -20.956 1.00 0.00 C ATOM 1120 NH1 ARG A 76 -4.428 -12.518 -21.684 1.00 0.00 N ATOM 1121 NH2 ARG A 76 -3.081 -14.324 -21.499 1.00 0.00 N ATOM 0 H ARG A 76 -3.875 -9.402 -16.804 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.471 -12.069 -16.222 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.388 -10.773 -18.042 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.728 -12.493 -18.052 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.053 -10.562 -18.290 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.042 -10.826 -19.697 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.471 -13.007 -18.093 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.955 -12.419 -19.671 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.766 -14.285 -19.100 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.064 -11.843 -21.259 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.207 -12.455 -22.678 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.665 -15.061 -20.930 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.860 -14.261 -22.493 1.00 0.00 H new ATOM 1135 N GLY A 77 -1.583 -11.024 -15.089 1.00 0.00 N ATOM 1136 CA GLY A 77 -0.459 -11.382 -14.233 1.00 0.00 C ATOM 1137 C GLY A 77 0.614 -12.125 -15.021 1.00 0.00 C ATOM 1138 O GLY A 77 0.955 -13.265 -14.704 1.00 0.00 O ATOM 0 H GLY A 77 -1.624 -10.038 -15.347 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.033 -10.481 -13.791 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.808 -12.006 -13.410 1.00 0.00 H new ATOM 1142 N PRO A 78 1.148 -11.500 -16.036 1.00 0.00 N ATOM 1143 CA PRO A 78 2.208 -12.107 -16.892 1.00 0.00 C ATOM 1144 C PRO A 78 3.560 -12.152 -16.184 1.00 0.00 C ATOM 1145 O PRO A 78 4.088 -11.121 -15.766 1.00 0.00 O ATOM 1146 CB PRO A 78 2.254 -11.183 -18.113 1.00 0.00 C ATOM 1147 CG PRO A 78 1.785 -9.854 -17.614 1.00 0.00 C ATOM 1148 CD PRO A 78 0.798 -10.140 -16.479 1.00 0.00 C ATOM 0 HA PRO A 78 1.991 -13.144 -17.146 1.00 0.00 H new ATOM 0 HB2 PRO A 78 3.263 -11.118 -18.520 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.612 -11.553 -18.912 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.623 -9.255 -17.258 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.305 -9.287 -18.412 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.901 -9.418 -15.669 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.234 -10.086 -16.825 1.00 0.00 H new ATOM 1156 N ALA A 79 4.116 -13.352 -16.055 1.00 0.00 N ATOM 1157 CA ALA A 79 5.406 -13.519 -15.397 1.00 0.00 C ATOM 1158 C ALA A 79 6.476 -12.684 -16.094 1.00 0.00 C ATOM 1159 O ALA A 79 7.615 -12.736 -15.662 1.00 0.00 O ATOM 1160 CB ALA A 79 5.815 -14.993 -15.414 1.00 0.00 C ATOM 1161 OXT ALA A 79 6.139 -12.005 -17.050 1.00 0.00 O ATOM 0 H ALA A 79 3.697 -14.218 -16.395 1.00 0.00 H new ATOM 0 HA ALA A 79 5.312 -13.180 -14.365 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.780 -15.109 -14.920 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.065 -15.585 -14.889 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.892 -15.337 -16.445 1.00 0.00 H new TER 1167 ALA A 79