USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 424 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 20 THR OG1 : rot 156:sc= -2.26! USER MOD Set 1.2: A 22 THR OG1 : rot 180:sc= -0.0061 USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 18 SER OG : rot -154:sc= 1.24 USER MOD Single : A 9 THR OG1 : rot -5:sc= 0.842 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= -0.0175 (180deg=-0.176) USER MOD Single : A 33 GLN : amide:sc= -0.0531 K(o=-0.053,f=-1.8) USER MOD Single : A 36 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.2!) USER MOD Single : A 37 ASN : amide:sc= -2.36! C(o=-2.4!,f=-2.8!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.605 USER MOD Single : A 46 HIS :FLIP no HE2:sc= -3.81 F(o=-6.3!,f=-3.8) USER MOD Single : A 47 SER OG : rot 180:sc= 0.00304 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0952 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.964 F(o=-2.8!,f=-0.96) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 130:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -4.15! C(o=-6.4!,f=-4.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 15.323 14.055 -2.913 1.00 0.00 N ATOM 2 CA THR A 9 13.898 14.326 -2.572 1.00 0.00 C ATOM 3 C THR A 9 13.027 13.169 -3.064 1.00 0.00 C ATOM 4 O THR A 9 12.107 13.357 -3.835 1.00 0.00 O ATOM 5 CB THR A 9 13.451 15.626 -3.243 1.00 0.00 C ATOM 6 OG1 THR A 9 14.568 16.240 -3.872 1.00 0.00 O ATOM 7 CG2 THR A 9 12.872 16.573 -2.191 1.00 0.00 C ATOM 0 HA THR A 9 13.795 14.423 -1.491 1.00 0.00 H new ATOM 0 HB THR A 9 12.688 15.406 -3.989 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.379 15.730 -3.668 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.554 17.499 -2.670 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.016 16.101 -1.709 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.633 16.795 -1.443 1.00 0.00 H new ATOM 17 N PHE A 10 13.313 11.974 -2.628 1.00 0.00 N ATOM 18 CA PHE A 10 12.503 10.804 -3.071 1.00 0.00 C ATOM 19 C PHE A 10 12.109 9.969 -1.851 1.00 0.00 C ATOM 20 O PHE A 10 12.238 10.404 -0.723 1.00 0.00 O ATOM 21 CB PHE A 10 13.330 9.948 -4.031 1.00 0.00 C ATOM 22 CG PHE A 10 13.467 10.675 -5.371 1.00 0.00 C ATOM 23 CD1 PHE A 10 14.328 11.749 -5.501 1.00 0.00 C ATOM 24 CD2 PHE A 10 12.733 10.263 -6.470 1.00 0.00 C ATOM 25 CE1 PHE A 10 14.455 12.399 -6.711 1.00 0.00 C ATOM 26 CE2 PHE A 10 12.861 10.915 -7.679 1.00 0.00 C ATOM 27 CZ PHE A 10 13.722 11.983 -7.799 1.00 0.00 C ATOM 0 H PHE A 10 14.073 11.756 -1.984 1.00 0.00 H new ATOM 0 HA PHE A 10 11.604 11.153 -3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 10 14.315 9.755 -3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.851 8.980 -4.177 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.904 12.081 -4.650 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.056 9.426 -6.380 1.00 0.00 H new ATOM 0 HE1 PHE A 10 15.131 13.236 -6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.285 10.588 -8.532 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.822 12.493 -8.746 1.00 0.00 H new ATOM 37 N VAL A 11 11.630 8.773 -2.064 1.00 0.00 N ATOM 38 CA VAL A 11 11.231 7.916 -0.910 1.00 0.00 C ATOM 39 C VAL A 11 11.202 6.455 -1.359 1.00 0.00 C ATOM 40 O VAL A 11 10.479 6.090 -2.264 1.00 0.00 O ATOM 41 CB VAL A 11 9.836 8.319 -0.406 1.00 0.00 C ATOM 42 CG1 VAL A 11 9.851 8.384 1.122 1.00 0.00 C ATOM 43 CG2 VAL A 11 9.442 9.690 -0.966 1.00 0.00 C ATOM 0 H VAL A 11 11.498 8.353 -2.984 1.00 0.00 H new ATOM 0 HA VAL A 11 11.951 8.046 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 11 9.111 7.578 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.863 8.670 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.117 7.407 1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.584 9.122 1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.452 9.962 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.166 10.437 -0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.427 9.648 -2.055 1.00 0.00 H new ATOM 53 N ALA A 12 11.980 5.615 -0.734 1.00 0.00 N ATOM 54 CA ALA A 12 11.989 4.181 -1.134 1.00 0.00 C ATOM 55 C ALA A 12 10.641 3.546 -0.796 1.00 0.00 C ATOM 56 O ALA A 12 10.448 3.001 0.272 1.00 0.00 O ATOM 57 CB ALA A 12 13.100 3.442 -0.390 1.00 0.00 C ATOM 0 H ALA A 12 12.607 5.858 0.033 1.00 0.00 H new ATOM 0 HA ALA A 12 12.166 4.111 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.102 2.393 -0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.063 3.890 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.929 3.515 0.684 1.00 0.00 H new ATOM 63 N LEU A 13 9.709 3.629 -1.703 1.00 0.00 N ATOM 64 CA LEU A 13 8.361 3.041 -1.473 1.00 0.00 C ATOM 65 C LEU A 13 8.476 1.723 -0.708 1.00 0.00 C ATOM 66 O LEU A 13 7.683 1.434 0.166 1.00 0.00 O ATOM 67 CB LEU A 13 7.713 2.749 -2.823 1.00 0.00 C ATOM 68 CG LEU A 13 6.896 3.949 -3.288 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.386 3.672 -4.702 1.00 0.00 C ATOM 70 CD2 LEU A 13 5.710 4.155 -2.345 1.00 0.00 C ATOM 0 H LEU A 13 9.826 4.086 -2.607 1.00 0.00 H new ATOM 0 HA LEU A 13 7.765 3.747 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.481 2.516 -3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.071 1.872 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 13 7.514 4.847 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.799 4.522 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.233 3.518 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.762 2.778 -4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.126 5.013 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.082 3.264 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.076 4.335 -1.334 1.00 0.00 H new ATOM 82 N TYR A 14 9.453 0.918 -1.026 1.00 0.00 N ATOM 83 CA TYR A 14 9.592 -0.378 -0.303 1.00 0.00 C ATOM 84 C TYR A 14 11.054 -0.666 0.043 1.00 0.00 C ATOM 85 O TYR A 14 11.949 0.085 -0.287 1.00 0.00 O ATOM 86 CB TYR A 14 9.074 -1.500 -1.201 1.00 0.00 C ATOM 87 CG TYR A 14 7.638 -1.195 -1.633 1.00 0.00 C ATOM 88 CD1 TYR A 14 7.389 -0.429 -2.756 1.00 0.00 C ATOM 89 CD2 TYR A 14 6.572 -1.693 -0.914 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.091 -0.171 -3.152 1.00 0.00 C ATOM 91 CE2 TYR A 14 5.276 -1.435 -1.311 1.00 0.00 C ATOM 92 CZ TYR A 14 5.026 -0.671 -2.433 1.00 0.00 C ATOM 93 OH TYR A 14 3.731 -0.412 -2.829 1.00 0.00 O ATOM 0 H TYR A 14 10.153 1.098 -1.746 1.00 0.00 H new ATOM 0 HA TYR A 14 9.020 -0.320 0.623 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.714 -1.602 -2.078 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.110 -2.450 -0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.214 -0.030 -3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.753 -2.290 -0.033 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.909 0.427 -4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.451 -1.834 -0.739 1.00 0.00 H new ATOM 0 HH TYR A 14 3.107 -0.843 -2.208 1.00 0.00 H new ATOM 103 N ASP A 15 11.287 -1.763 0.714 1.00 0.00 N ATOM 104 CA ASP A 15 12.676 -2.138 1.101 1.00 0.00 C ATOM 105 C ASP A 15 13.267 -3.080 0.048 1.00 0.00 C ATOM 106 O ASP A 15 13.529 -4.235 0.320 1.00 0.00 O ATOM 107 CB ASP A 15 12.653 -2.844 2.458 1.00 0.00 C ATOM 108 CG ASP A 15 11.793 -2.042 3.437 1.00 0.00 C ATOM 109 OD1 ASP A 15 11.353 -0.967 3.065 1.00 0.00 O ATOM 110 OD2 ASP A 15 11.589 -2.516 4.543 1.00 0.00 O ATOM 0 H ASP A 15 10.567 -2.420 1.013 1.00 0.00 H new ATOM 0 HA ASP A 15 13.288 -1.239 1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.254 -3.852 2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.667 -2.943 2.845 1.00 0.00 H new ATOM 115 N TYR A 16 13.462 -2.594 -1.153 1.00 0.00 N ATOM 116 CA TYR A 16 14.037 -3.446 -2.242 1.00 0.00 C ATOM 117 C TYR A 16 15.071 -4.416 -1.663 1.00 0.00 C ATOM 118 O TYR A 16 16.169 -4.034 -1.313 1.00 0.00 O ATOM 119 CB TYR A 16 14.715 -2.544 -3.279 1.00 0.00 C ATOM 120 CG TYR A 16 15.581 -3.388 -4.220 1.00 0.00 C ATOM 121 CD1 TYR A 16 14.998 -4.255 -5.123 1.00 0.00 C ATOM 122 CD2 TYR A 16 16.958 -3.285 -4.189 1.00 0.00 C ATOM 123 CE1 TYR A 16 15.779 -5.005 -5.979 1.00 0.00 C ATOM 124 CE2 TYR A 16 17.739 -4.033 -5.046 1.00 0.00 C ATOM 125 CZ TYR A 16 17.155 -4.899 -5.948 1.00 0.00 C ATOM 126 OH TYR A 16 17.935 -5.650 -6.805 1.00 0.00 O ATOM 0 H TYR A 16 13.246 -1.636 -1.428 1.00 0.00 H new ATOM 0 HA TYR A 16 13.236 -4.018 -2.710 1.00 0.00 H new ATOM 0 HB2 TYR A 16 13.961 -2.004 -3.852 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.330 -1.797 -2.777 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.923 -4.347 -5.160 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.428 -2.612 -3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 16 15.310 -5.680 -6.679 1.00 0.00 H new ATOM 0 HE2 TYR A 16 18.814 -3.940 -5.011 1.00 0.00 H new ATOM 0 HH TYR A 16 18.881 -5.449 -6.647 1.00 0.00 H new ATOM 136 N GLU A 17 14.725 -5.671 -1.560 1.00 0.00 N ATOM 137 CA GLU A 17 15.683 -6.668 -1.006 1.00 0.00 C ATOM 138 C GLU A 17 16.696 -7.055 -2.085 1.00 0.00 C ATOM 139 O GLU A 17 16.471 -7.959 -2.865 1.00 0.00 O ATOM 140 CB GLU A 17 14.918 -7.914 -0.556 1.00 0.00 C ATOM 141 CG GLU A 17 14.119 -7.595 0.709 1.00 0.00 C ATOM 142 CD GLU A 17 12.683 -8.098 0.544 1.00 0.00 C ATOM 143 OE1 GLU A 17 12.469 -8.958 -0.293 1.00 0.00 O ATOM 144 OE2 GLU A 17 11.821 -7.615 1.261 1.00 0.00 O ATOM 0 H GLU A 17 13.819 -6.048 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 17 16.207 -6.235 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.247 -8.247 -1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 17 15.614 -8.731 -0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.584 -8.067 1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.121 -6.521 0.892 1.00 0.00 H new ATOM 151 N SER A 18 17.811 -6.379 -2.137 1.00 0.00 N ATOM 152 CA SER A 18 18.836 -6.709 -3.167 1.00 0.00 C ATOM 153 C SER A 18 19.500 -8.043 -2.819 1.00 0.00 C ATOM 154 O SER A 18 20.100 -8.194 -1.773 1.00 0.00 O ATOM 155 CB SER A 18 19.896 -5.607 -3.204 1.00 0.00 C ATOM 156 OG SER A 18 20.600 -5.670 -4.436 1.00 0.00 O ATOM 0 H SER A 18 18.056 -5.612 -1.511 1.00 0.00 H new ATOM 0 HA SER A 18 18.357 -6.786 -4.143 1.00 0.00 H new ATOM 0 HB2 SER A 18 19.425 -4.630 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.588 -5.725 -2.370 1.00 0.00 H new ATOM 0 HG SER A 18 21.493 -5.282 -4.323 1.00 0.00 H new ATOM 162 N ARG A 19 19.398 -9.012 -3.687 1.00 0.00 N ATOM 163 CA ARG A 19 20.025 -10.335 -3.404 1.00 0.00 C ATOM 164 C ARG A 19 21.430 -10.371 -4.007 1.00 0.00 C ATOM 165 O ARG A 19 22.257 -11.177 -3.629 1.00 0.00 O ATOM 166 CB ARG A 19 19.176 -11.446 -4.026 1.00 0.00 C ATOM 167 CG ARG A 19 17.776 -11.424 -3.411 1.00 0.00 C ATOM 168 CD ARG A 19 17.711 -12.425 -2.256 1.00 0.00 C ATOM 169 NE ARG A 19 17.772 -13.812 -2.798 1.00 0.00 N ATOM 170 CZ ARG A 19 17.095 -14.767 -2.221 1.00 0.00 C ATOM 171 NH1 ARG A 19 16.647 -14.606 -1.006 1.00 0.00 N ATOM 172 NH2 ARG A 19 16.868 -15.882 -2.858 1.00 0.00 N ATOM 0 H ARG A 19 18.908 -8.945 -4.579 1.00 0.00 H new ATOM 0 HA ARG A 19 20.087 -10.485 -2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 19 19.113 -11.309 -5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 19 19.645 -12.415 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 19 17.541 -10.422 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.031 -11.675 -4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.538 -12.256 -1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.790 -12.284 -1.690 1.00 0.00 H new ATOM 0 HE ARG A 19 18.342 -14.015 -3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 19 16.826 -13.734 -0.508 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.118 -15.352 -0.555 1.00 0.00 H new ATOM 0 HH21 ARG A 19 17.220 -16.008 -3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.339 -16.628 -2.407 1.00 0.00 H new ATOM 186 N THR A 20 21.707 -9.503 -4.941 1.00 0.00 N ATOM 187 CA THR A 20 23.060 -9.490 -5.567 1.00 0.00 C ATOM 188 C THR A 20 23.782 -8.193 -5.197 1.00 0.00 C ATOM 189 O THR A 20 23.195 -7.276 -4.656 1.00 0.00 O ATOM 190 CB THR A 20 22.918 -9.576 -7.089 1.00 0.00 C ATOM 191 OG1 THR A 20 24.145 -9.200 -7.698 1.00 0.00 O ATOM 192 CG2 THR A 20 21.806 -8.635 -7.553 1.00 0.00 C ATOM 0 H THR A 20 21.056 -8.803 -5.298 1.00 0.00 H new ATOM 0 HA THR A 20 23.635 -10.342 -5.205 1.00 0.00 H new ATOM 0 HB THR A 20 22.668 -10.598 -7.375 1.00 0.00 H new ATOM 0 HG1 THR A 20 24.204 -9.601 -8.590 1.00 0.00 H new ATOM 0 HG21 THR A 20 21.706 -8.697 -8.637 1.00 0.00 H new ATOM 0 HG22 THR A 20 20.865 -8.924 -7.084 1.00 0.00 H new ATOM 0 HG23 THR A 20 22.053 -7.612 -7.269 1.00 0.00 H new ATOM 200 N GLU A 21 25.051 -8.109 -5.482 1.00 0.00 N ATOM 201 CA GLU A 21 25.812 -6.874 -5.147 1.00 0.00 C ATOM 202 C GLU A 21 25.669 -5.863 -6.288 1.00 0.00 C ATOM 203 O GLU A 21 26.300 -4.825 -6.294 1.00 0.00 O ATOM 204 CB GLU A 21 27.291 -7.221 -4.957 1.00 0.00 C ATOM 205 CG GLU A 21 27.562 -7.493 -3.475 1.00 0.00 C ATOM 206 CD GLU A 21 28.183 -6.251 -2.832 1.00 0.00 C ATOM 207 OE1 GLU A 21 27.653 -5.173 -3.040 1.00 0.00 O ATOM 208 OE2 GLU A 21 29.179 -6.400 -2.143 1.00 0.00 O ATOM 0 H GLU A 21 25.595 -8.844 -5.934 1.00 0.00 H new ATOM 0 HA GLU A 21 25.419 -6.443 -4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 21 27.550 -8.097 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 21 27.917 -6.400 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 21 26.634 -7.753 -2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 21 28.233 -8.345 -3.368 1.00 0.00 H new ATOM 215 N THR A 22 24.841 -6.158 -7.255 1.00 0.00 N ATOM 216 CA THR A 22 24.658 -5.214 -8.393 1.00 0.00 C ATOM 217 C THR A 22 23.526 -4.238 -8.067 1.00 0.00 C ATOM 218 O THR A 22 22.822 -3.775 -8.942 1.00 0.00 O ATOM 219 CB THR A 22 24.306 -6.002 -9.656 1.00 0.00 C ATOM 220 OG1 THR A 22 22.966 -6.466 -9.565 1.00 0.00 O ATOM 221 CG2 THR A 22 25.253 -7.195 -9.796 1.00 0.00 C ATOM 0 H THR A 22 24.285 -7.011 -7.305 1.00 0.00 H new ATOM 0 HA THR A 22 25.581 -4.658 -8.558 1.00 0.00 H new ATOM 0 HB THR A 22 24.408 -5.356 -10.528 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.739 -6.970 -10.374 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.001 -7.756 -10.696 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.280 -6.838 -9.866 1.00 0.00 H new ATOM 0 HG23 THR A 22 25.153 -7.843 -8.925 1.00 0.00 H new ATOM 229 N ASP A 23 23.344 -3.922 -6.814 1.00 0.00 N ATOM 230 CA ASP A 23 22.257 -2.976 -6.435 1.00 0.00 C ATOM 231 C ASP A 23 22.202 -2.845 -4.912 1.00 0.00 C ATOM 232 O ASP A 23 22.366 -3.808 -4.189 1.00 0.00 O ATOM 233 CB ASP A 23 20.917 -3.509 -6.947 1.00 0.00 C ATOM 234 CG ASP A 23 20.521 -2.751 -8.215 1.00 0.00 C ATOM 235 OD1 ASP A 23 20.875 -1.588 -8.318 1.00 0.00 O ATOM 236 OD2 ASP A 23 19.874 -3.345 -9.060 1.00 0.00 O ATOM 0 H ASP A 23 23.901 -4.278 -6.037 1.00 0.00 H new ATOM 0 HA ASP A 23 22.455 -2.000 -6.877 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.993 -4.576 -7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.149 -3.388 -6.183 1.00 0.00 H new ATOM 241 N LEU A 24 21.970 -1.660 -4.419 1.00 0.00 N ATOM 242 CA LEU A 24 21.904 -1.467 -2.945 1.00 0.00 C ATOM 243 C LEU A 24 20.543 -1.941 -2.440 1.00 0.00 C ATOM 244 O LEU A 24 19.598 -2.061 -3.195 1.00 0.00 O ATOM 245 CB LEU A 24 22.078 0.014 -2.606 1.00 0.00 C ATOM 246 CG LEU A 24 23.566 0.338 -2.469 1.00 0.00 C ATOM 247 CD1 LEU A 24 23.748 1.852 -2.334 1.00 0.00 C ATOM 248 CD2 LEU A 24 24.127 -0.356 -1.226 1.00 0.00 C ATOM 0 H LEU A 24 21.823 -0.817 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 24 22.700 -2.040 -2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 24 21.632 0.631 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 24 21.558 0.248 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 24 24.098 -0.015 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 24 24.809 2.084 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 24 23.349 2.347 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 24 23.217 2.205 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 24 25.188 -0.125 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 24 23.596 -0.004 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 24 23.998 -1.434 -1.322 1.00 0.00 H new ATOM 260 N SER A 25 20.431 -2.210 -1.173 1.00 0.00 N ATOM 261 CA SER A 25 19.127 -2.674 -0.630 1.00 0.00 C ATOM 262 C SER A 25 18.282 -1.459 -0.247 1.00 0.00 C ATOM 263 O SER A 25 17.112 -1.387 -0.562 1.00 0.00 O ATOM 264 CB SER A 25 19.366 -3.540 0.608 1.00 0.00 C ATOM 265 OG SER A 25 19.446 -4.904 0.223 1.00 0.00 O ATOM 0 H SER A 25 21.184 -2.129 -0.490 1.00 0.00 H new ATOM 0 HA SER A 25 18.605 -3.262 -1.385 1.00 0.00 H new ATOM 0 HB2 SER A 25 20.288 -3.237 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.557 -3.400 1.325 1.00 0.00 H new ATOM 0 HG SER A 25 19.601 -5.459 1.016 1.00 0.00 H new ATOM 271 N PHE A 26 18.881 -0.496 0.410 1.00 0.00 N ATOM 272 CA PHE A 26 18.131 0.727 0.826 1.00 0.00 C ATOM 273 C PHE A 26 16.730 0.337 1.286 1.00 0.00 C ATOM 274 O PHE A 26 16.448 -0.820 1.527 1.00 0.00 O ATOM 275 CB PHE A 26 18.058 1.737 -0.333 1.00 0.00 C ATOM 276 CG PHE A 26 17.238 1.188 -1.507 1.00 0.00 C ATOM 277 CD1 PHE A 26 17.784 0.266 -2.387 1.00 0.00 C ATOM 278 CD2 PHE A 26 15.954 1.648 -1.734 1.00 0.00 C ATOM 279 CE1 PHE A 26 17.054 -0.182 -3.472 1.00 0.00 C ATOM 280 CE2 PHE A 26 15.230 1.199 -2.822 1.00 0.00 C ATOM 281 CZ PHE A 26 15.779 0.286 -3.685 1.00 0.00 C ATOM 0 H PHE A 26 19.865 -0.506 0.677 1.00 0.00 H new ATOM 0 HA PHE A 26 18.657 1.201 1.654 1.00 0.00 H new ATOM 0 HB2 PHE A 26 17.612 2.666 0.021 1.00 0.00 H new ATOM 0 HB3 PHE A 26 19.066 1.976 -0.672 1.00 0.00 H new ATOM 0 HD1 PHE A 26 18.785 -0.104 -2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 26 15.514 2.364 -1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 26 17.486 -0.900 -4.153 1.00 0.00 H new ATOM 0 HE2 PHE A 26 14.230 1.568 -2.993 1.00 0.00 H new ATOM 0 HZ PHE A 26 15.210 -0.066 -4.533 1.00 0.00 H new ATOM 291 N LYS A 27 15.856 1.284 1.445 1.00 0.00 N ATOM 292 CA LYS A 27 14.480 0.930 1.893 1.00 0.00 C ATOM 293 C LYS A 27 13.675 2.182 2.232 1.00 0.00 C ATOM 294 O LYS A 27 14.157 3.294 2.149 1.00 0.00 O ATOM 295 CB LYS A 27 14.559 0.035 3.132 1.00 0.00 C ATOM 296 CG LYS A 27 15.603 0.599 4.101 1.00 0.00 C ATOM 297 CD LYS A 27 15.799 -0.376 5.264 1.00 0.00 C ATOM 298 CE LYS A 27 15.819 0.400 6.583 1.00 0.00 C ATOM 299 NZ LYS A 27 15.905 -0.558 7.720 1.00 0.00 N ATOM 0 H LYS A 27 16.028 2.277 1.287 1.00 0.00 H new ATOM 0 HA LYS A 27 13.981 0.403 1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.585 -0.017 3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.826 -0.982 2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.548 0.757 3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.279 1.570 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.995 -1.112 5.275 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.732 -0.925 5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.669 1.082 6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.919 1.009 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.919 -0.032 8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.081 -1.192 7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.776 -1.120 7.635 1.00 0.00 H new ATOM 313 N LYS A 28 12.441 1.992 2.612 1.00 0.00 N ATOM 314 CA LYS A 28 11.567 3.142 2.967 1.00 0.00 C ATOM 315 C LYS A 28 12.184 3.913 4.139 1.00 0.00 C ATOM 316 O LYS A 28 12.709 3.332 5.069 1.00 0.00 O ATOM 317 CB LYS A 28 10.185 2.601 3.360 1.00 0.00 C ATOM 318 CG LYS A 28 9.414 3.655 4.162 1.00 0.00 C ATOM 319 CD LYS A 28 8.117 3.040 4.692 1.00 0.00 C ATOM 320 CE LYS A 28 8.018 3.277 6.201 1.00 0.00 C ATOM 321 NZ LYS A 28 9.053 2.465 6.899 1.00 0.00 N ATOM 0 H LYS A 28 11.998 1.077 2.692 1.00 0.00 H new ATOM 0 HA LYS A 28 11.469 3.818 2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.624 2.332 2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.297 1.693 3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.024 4.016 4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.191 4.516 3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.259 3.483 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.095 1.971 4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.159 4.335 6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.025 3.005 6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.755 2.292 7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.170 1.556 6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.957 2.979 6.897 1.00 0.00 H new ATOM 335 N GLY A 29 12.123 5.216 4.102 1.00 0.00 N ATOM 336 CA GLY A 29 12.704 6.023 5.213 1.00 0.00 C ATOM 337 C GLY A 29 14.218 6.149 5.026 1.00 0.00 C ATOM 338 O GLY A 29 14.887 6.849 5.761 1.00 0.00 O ATOM 0 H GLY A 29 11.696 5.757 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.247 7.013 5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.485 5.551 6.171 1.00 0.00 H new ATOM 342 N GLU A 30 14.766 5.478 4.051 1.00 0.00 N ATOM 343 CA GLU A 30 16.236 5.562 3.822 1.00 0.00 C ATOM 344 C GLU A 30 16.539 6.708 2.854 1.00 0.00 C ATOM 345 O GLU A 30 16.360 6.586 1.659 1.00 0.00 O ATOM 346 CB GLU A 30 16.736 4.245 3.225 1.00 0.00 C ATOM 347 CG GLU A 30 18.236 4.352 2.939 1.00 0.00 C ATOM 348 CD GLU A 30 18.985 3.288 3.743 1.00 0.00 C ATOM 349 OE1 GLU A 30 18.559 3.001 4.850 1.00 0.00 O ATOM 350 OE2 GLU A 30 19.970 2.777 3.237 1.00 0.00 O ATOM 0 H GLU A 30 14.259 4.875 3.403 1.00 0.00 H new ATOM 0 HA GLU A 30 16.740 5.746 4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.544 3.424 3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.195 4.021 2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.425 4.218 1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.598 5.345 3.204 1.00 0.00 H new ATOM 357 N ARG A 31 16.995 7.821 3.360 1.00 0.00 N ATOM 358 CA ARG A 31 17.308 8.970 2.465 1.00 0.00 C ATOM 359 C ARG A 31 18.317 8.525 1.404 1.00 0.00 C ATOM 360 O ARG A 31 19.474 8.298 1.691 1.00 0.00 O ATOM 361 CB ARG A 31 17.906 10.113 3.290 1.00 0.00 C ATOM 362 CG ARG A 31 16.892 10.569 4.342 1.00 0.00 C ATOM 363 CD ARG A 31 16.648 12.072 4.197 1.00 0.00 C ATOM 364 NE ARG A 31 17.898 12.813 4.526 1.00 0.00 N ATOM 365 CZ ARG A 31 17.831 14.044 4.957 1.00 0.00 C ATOM 366 NH1 ARG A 31 17.844 15.035 4.107 1.00 0.00 N ATOM 367 NH2 ARG A 31 17.750 14.285 6.237 1.00 0.00 N ATOM 0 H ARG A 31 17.164 7.984 4.353 1.00 0.00 H new ATOM 0 HA ARG A 31 16.394 9.313 1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 31 18.825 9.784 3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.170 10.946 2.639 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.956 10.024 4.220 1.00 0.00 H new ATOM 0 HG3 ARG A 31 17.264 10.345 5.342 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.333 12.303 3.180 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.842 12.386 4.860 1.00 0.00 H new ATOM 0 HE ARG A 31 18.805 12.359 4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 31 17.906 14.848 3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 31 17.792 15.996 4.444 1.00 0.00 H new ATOM 0 HH21 ARG A 31 17.739 13.512 6.902 1.00 0.00 H new ATOM 0 HH22 ARG A 31 17.698 15.247 6.573 1.00 0.00 H new ATOM 381 N LEU A 32 17.885 8.398 0.179 1.00 0.00 N ATOM 382 CA LEU A 32 18.820 7.967 -0.899 1.00 0.00 C ATOM 383 C LEU A 32 19.103 9.141 -1.837 1.00 0.00 C ATOM 384 O LEU A 32 18.209 9.860 -2.234 1.00 0.00 O ATOM 385 CB LEU A 32 18.187 6.824 -1.696 1.00 0.00 C ATOM 386 CG LEU A 32 17.793 5.694 -0.744 1.00 0.00 C ATOM 387 CD1 LEU A 32 16.306 5.376 -0.917 1.00 0.00 C ATOM 388 CD2 LEU A 32 18.621 4.448 -1.062 1.00 0.00 C ATOM 0 H LEU A 32 16.926 8.574 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 32 19.754 7.629 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 32 17.309 7.184 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.889 6.455 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 32 17.981 6.003 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.025 4.571 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.715 6.264 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.117 5.067 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.341 3.642 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.433 4.139 -2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.680 4.674 -0.939 1.00 0.00 H new ATOM 400 N GLN A 33 20.344 9.341 -2.194 1.00 0.00 N ATOM 401 CA GLN A 33 20.683 10.469 -3.106 1.00 0.00 C ATOM 402 C GLN A 33 20.408 10.045 -4.550 1.00 0.00 C ATOM 403 O GLN A 33 21.310 9.719 -5.295 1.00 0.00 O ATOM 404 CB GLN A 33 22.163 10.826 -2.950 1.00 0.00 C ATOM 405 CG GLN A 33 22.309 12.343 -2.818 1.00 0.00 C ATOM 406 CD GLN A 33 22.345 12.975 -4.210 1.00 0.00 C ATOM 407 OE1 GLN A 33 21.390 12.885 -4.956 1.00 0.00 O ATOM 408 NE2 GLN A 33 23.414 13.616 -4.594 1.00 0.00 N ATOM 0 H GLN A 33 21.136 8.772 -1.893 1.00 0.00 H new ATOM 0 HA GLN A 33 20.075 11.339 -2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 33 22.577 10.332 -2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.727 10.469 -3.812 1.00 0.00 H new ATOM 0 HG2 GLN A 33 21.477 12.750 -2.243 1.00 0.00 H new ATOM 0 HG3 GLN A 33 23.222 12.585 -2.273 1.00 0.00 H new ATOM 0 HE21 GLN A 33 24.216 13.692 -3.968 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.448 14.042 -5.520 1.00 0.00 H new ATOM 417 N ILE A 34 19.166 10.048 -4.949 1.00 0.00 N ATOM 418 CA ILE A 34 18.826 9.646 -6.342 1.00 0.00 C ATOM 419 C ILE A 34 19.745 10.370 -7.328 1.00 0.00 C ATOM 420 O ILE A 34 19.989 11.554 -7.213 1.00 0.00 O ATOM 421 CB ILE A 34 17.373 10.016 -6.639 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.447 9.238 -5.703 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.044 9.663 -8.091 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.613 7.738 -5.952 1.00 0.00 C ATOM 0 H ILE A 34 18.370 10.312 -4.368 1.00 0.00 H new ATOM 0 HA ILE A 34 18.959 8.569 -6.448 1.00 0.00 H new ATOM 0 HB ILE A 34 17.231 11.086 -6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.681 9.473 -4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.411 9.533 -5.871 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.008 9.927 -8.304 1.00 0.00 H new ATOM 0 HG22 ILE A 34 17.704 10.217 -8.759 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.186 8.593 -8.246 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.953 7.183 -5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.358 7.511 -6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.647 7.450 -5.762 1.00 0.00 H new ATOM 436 N VAL A 35 20.255 9.663 -8.300 1.00 0.00 N ATOM 437 CA VAL A 35 21.158 10.302 -9.296 1.00 0.00 C ATOM 438 C VAL A 35 20.389 10.517 -10.598 1.00 0.00 C ATOM 439 O VAL A 35 19.969 11.615 -10.912 1.00 0.00 O ATOM 440 CB VAL A 35 22.358 9.391 -9.556 1.00 0.00 C ATOM 441 CG1 VAL A 35 23.137 9.908 -10.767 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.269 9.385 -8.327 1.00 0.00 C ATOM 0 H VAL A 35 20.084 8.668 -8.446 1.00 0.00 H new ATOM 0 HA VAL A 35 21.510 11.260 -8.913 1.00 0.00 H new ATOM 0 HB VAL A 35 22.009 8.377 -9.754 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.993 9.259 -10.953 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.488 9.912 -11.642 1.00 0.00 H new ATOM 0 HG13 VAL A 35 23.486 10.921 -10.569 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.125 8.736 -8.512 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.618 10.398 -8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.714 9.017 -7.464 1.00 0.00 H new ATOM 452 N ASN A 36 20.203 9.477 -11.358 1.00 0.00 N ATOM 453 CA ASN A 36 19.461 9.615 -12.643 1.00 0.00 C ATOM 454 C ASN A 36 17.976 9.357 -12.384 1.00 0.00 C ATOM 455 O ASN A 36 17.579 9.036 -11.282 1.00 0.00 O ATOM 456 CB ASN A 36 19.990 8.596 -13.654 1.00 0.00 C ATOM 457 CG ASN A 36 20.831 9.316 -14.710 1.00 0.00 C ATOM 458 OD1 ASN A 36 20.498 10.408 -15.128 1.00 0.00 O ATOM 459 ND2 ASN A 36 21.916 8.748 -15.163 1.00 0.00 N ATOM 0 H ASN A 36 20.532 8.535 -11.146 1.00 0.00 H new ATOM 0 HA ASN A 36 19.599 10.619 -13.044 1.00 0.00 H new ATOM 0 HB2 ASN A 36 20.592 7.842 -13.146 1.00 0.00 H new ATOM 0 HB3 ASN A 36 19.159 8.074 -14.129 1.00 0.00 H new ATOM 0 HD21 ASN A 36 22.483 9.220 -15.867 1.00 0.00 H new ATOM 0 HD22 ASN A 36 22.196 7.832 -14.813 1.00 0.00 H new ATOM 466 N ASN A 37 17.148 9.492 -13.384 1.00 0.00 N ATOM 467 CA ASN A 37 15.695 9.250 -13.167 1.00 0.00 C ATOM 468 C ASN A 37 14.905 9.632 -14.419 1.00 0.00 C ATOM 469 O ASN A 37 14.203 10.623 -14.441 1.00 0.00 O ATOM 470 CB ASN A 37 15.210 10.092 -11.985 1.00 0.00 C ATOM 471 CG ASN A 37 15.999 11.403 -11.930 1.00 0.00 C ATOM 472 OD1 ASN A 37 16.984 11.505 -11.225 1.00 0.00 O ATOM 473 ND2 ASN A 37 15.609 12.417 -12.653 1.00 0.00 N ATOM 0 H ASN A 37 17.412 9.757 -14.333 1.00 0.00 H new ATOM 0 HA ASN A 37 15.539 8.192 -12.956 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.145 10.301 -12.087 1.00 0.00 H new ATOM 0 HB3 ASN A 37 15.339 9.539 -11.055 1.00 0.00 H new ATOM 0 HD21 ASN A 37 16.130 13.293 -12.626 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.783 12.333 -13.245 1.00 0.00 H new ATOM 480 N THR A 38 15.013 8.858 -15.464 1.00 0.00 N ATOM 481 CA THR A 38 14.262 9.188 -16.706 1.00 0.00 C ATOM 482 C THR A 38 12.894 8.495 -16.660 1.00 0.00 C ATOM 483 O THR A 38 11.994 8.940 -15.977 1.00 0.00 O ATOM 484 CB THR A 38 15.063 8.733 -17.934 1.00 0.00 C ATOM 485 OG1 THR A 38 14.195 8.625 -19.054 1.00 0.00 O ATOM 486 CG2 THR A 38 15.718 7.378 -17.657 1.00 0.00 C ATOM 0 H THR A 38 15.586 8.016 -15.511 1.00 0.00 H new ATOM 0 HA THR A 38 14.112 10.265 -16.778 1.00 0.00 H new ATOM 0 HB THR A 38 15.840 9.467 -18.147 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.707 8.336 -19.838 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.284 7.062 -18.533 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.390 7.466 -16.803 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.947 6.639 -17.437 1.00 0.00 H new ATOM 494 N GLU A 39 12.720 7.413 -17.372 1.00 0.00 N ATOM 495 CA GLU A 39 11.410 6.716 -17.350 1.00 0.00 C ATOM 496 C GLU A 39 11.422 5.675 -16.229 1.00 0.00 C ATOM 497 O GLU A 39 12.457 5.147 -15.877 1.00 0.00 O ATOM 498 CB GLU A 39 11.188 6.017 -18.694 1.00 0.00 C ATOM 499 CG GLU A 39 11.878 6.808 -19.809 1.00 0.00 C ATOM 500 CD GLU A 39 11.121 6.602 -21.123 1.00 0.00 C ATOM 501 OE1 GLU A 39 10.080 7.217 -21.286 1.00 0.00 O ATOM 502 OE2 GLU A 39 11.596 5.835 -21.944 1.00 0.00 O ATOM 0 H GLU A 39 13.430 6.985 -17.966 1.00 0.00 H new ATOM 0 HA GLU A 39 10.608 7.434 -17.178 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.584 5.002 -18.657 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.121 5.935 -18.900 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.905 7.868 -19.555 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.912 6.479 -19.917 1.00 0.00 H new ATOM 509 N GLY A 40 10.283 5.378 -15.660 1.00 0.00 N ATOM 510 CA GLY A 40 10.242 4.369 -14.563 1.00 0.00 C ATOM 511 C GLY A 40 11.120 3.178 -14.948 1.00 0.00 C ATOM 512 O GLY A 40 10.697 2.285 -15.654 1.00 0.00 O ATOM 0 H GLY A 40 9.383 5.789 -15.907 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.595 4.811 -13.631 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.217 4.041 -14.392 1.00 0.00 H new ATOM 516 N ASP A 41 12.343 3.156 -14.489 1.00 0.00 N ATOM 517 CA ASP A 41 13.242 2.023 -14.834 1.00 0.00 C ATOM 518 C ASP A 41 14.113 1.663 -13.622 1.00 0.00 C ATOM 519 O ASP A 41 13.625 1.181 -12.618 1.00 0.00 O ATOM 520 CB ASP A 41 14.132 2.443 -16.005 1.00 0.00 C ATOM 521 CG ASP A 41 13.255 2.851 -17.192 1.00 0.00 C ATOM 522 OD1 ASP A 41 12.300 2.143 -17.468 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.553 3.864 -17.802 1.00 0.00 O ATOM 0 H ASP A 41 12.755 3.873 -13.892 1.00 0.00 H new ATOM 0 HA ASP A 41 12.650 1.151 -15.112 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.772 3.274 -15.709 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.789 1.621 -16.290 1.00 0.00 H new ATOM 528 N TRP A 42 15.398 1.892 -13.707 1.00 0.00 N ATOM 529 CA TRP A 42 16.299 1.568 -12.572 1.00 0.00 C ATOM 530 C TRP A 42 17.349 2.666 -12.469 1.00 0.00 C ATOM 531 O TRP A 42 18.429 2.566 -13.018 1.00 0.00 O ATOM 532 CB TRP A 42 16.980 0.224 -12.829 1.00 0.00 C ATOM 533 CG TRP A 42 15.912 -0.860 -12.952 1.00 0.00 C ATOM 534 CD1 TRP A 42 15.044 -0.975 -13.971 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.687 -1.813 -12.052 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.302 -2.029 -13.632 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.633 -2.613 -12.450 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.338 -2.064 -10.863 1.00 0.00 C ATOM 539 CZ2 TRP A 42 14.232 -3.666 -11.651 1.00 0.00 C ATOM 540 CZ3 TRP A 42 15.937 -3.116 -10.066 1.00 0.00 C ATOM 541 CH2 TRP A 42 14.884 -3.917 -10.460 1.00 0.00 C ATOM 0 H TRP A 42 15.861 2.293 -14.523 1.00 0.00 H new ATOM 0 HA TRP A 42 15.732 1.504 -11.643 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.575 0.272 -13.741 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.665 -0.013 -12.015 1.00 0.00 H new ATOM 0 HD1 TRP A 42 14.966 -0.359 -14.855 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.541 -2.373 -14.217 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.162 -1.437 -10.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.408 -4.293 -11.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.447 -3.313 -9.134 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.570 -4.741 -9.836 1.00 0.00 H new ATOM 552 N TRP A 43 17.040 3.718 -11.768 1.00 0.00 N ATOM 553 CA TRP A 43 18.015 4.828 -11.628 1.00 0.00 C ATOM 554 C TRP A 43 19.064 4.463 -10.575 1.00 0.00 C ATOM 555 O TRP A 43 18.825 3.653 -9.701 1.00 0.00 O ATOM 556 CB TRP A 43 17.271 6.092 -11.201 1.00 0.00 C ATOM 557 CG TRP A 43 15.904 6.151 -11.898 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.654 5.758 -13.167 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.796 6.655 -11.355 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.365 6.064 -13.338 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.755 6.622 -12.262 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.587 7.161 -10.086 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.510 7.096 -11.904 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.342 7.635 -9.729 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.304 7.603 -10.637 1.00 0.00 C ATOM 0 H TRP A 43 16.152 3.856 -11.285 1.00 0.00 H new ATOM 0 HA TRP A 43 18.515 5.001 -12.581 1.00 0.00 H new ATOM 0 HB2 TRP A 43 17.139 6.099 -10.119 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.858 6.974 -11.456 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.334 5.305 -13.874 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.874 5.891 -14.215 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.399 7.185 -9.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.697 7.070 -12.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.180 8.032 -8.738 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.330 7.975 -10.356 1.00 0.00 H new ATOM 576 N LEU A 44 20.225 5.055 -10.653 1.00 0.00 N ATOM 577 CA LEU A 44 21.291 4.743 -9.661 1.00 0.00 C ATOM 578 C LEU A 44 21.156 5.668 -8.450 1.00 0.00 C ATOM 579 O LEU A 44 21.018 6.868 -8.584 1.00 0.00 O ATOM 580 CB LEU A 44 22.665 4.943 -10.312 1.00 0.00 C ATOM 581 CG LEU A 44 23.747 5.013 -9.230 1.00 0.00 C ATOM 582 CD1 LEU A 44 24.901 4.078 -9.595 1.00 0.00 C ATOM 583 CD2 LEU A 44 24.270 6.446 -9.132 1.00 0.00 C ATOM 0 H LEU A 44 20.481 5.742 -11.362 1.00 0.00 H new ATOM 0 HA LEU A 44 21.190 3.708 -9.333 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.876 4.122 -10.997 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.668 5.859 -10.902 1.00 0.00 H new ATOM 0 HG LEU A 44 23.323 4.708 -8.273 1.00 0.00 H new ATOM 0 HD11 LEU A 44 25.669 4.130 -8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 44 24.531 3.056 -9.670 1.00 0.00 H new ATOM 0 HD13 LEU A 44 25.326 4.381 -10.552 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.040 6.500 -8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 44 24.693 6.745 -10.091 1.00 0.00 H new ATOM 0 HD23 LEU A 44 23.450 7.116 -8.872 1.00 0.00 H new ATOM 595 N ALA A 45 21.200 5.117 -7.270 1.00 0.00 N ATOM 596 CA ALA A 45 21.075 5.959 -6.050 1.00 0.00 C ATOM 597 C ALA A 45 22.366 5.855 -5.234 1.00 0.00 C ATOM 598 O ALA A 45 23.027 4.835 -5.228 1.00 0.00 O ATOM 599 CB ALA A 45 19.896 5.467 -5.207 1.00 0.00 C ATOM 0 H ALA A 45 21.317 4.118 -7.098 1.00 0.00 H new ATOM 0 HA ALA A 45 20.904 6.997 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.805 6.084 -4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.978 5.536 -5.790 1.00 0.00 H new ATOM 0 HB3 ALA A 45 20.064 4.430 -4.916 1.00 0.00 H new ATOM 605 N HIS A 46 22.731 6.903 -4.548 1.00 0.00 N ATOM 606 CA HIS A 46 23.979 6.865 -3.735 1.00 0.00 C ATOM 607 C HIS A 46 23.634 7.168 -2.271 1.00 0.00 C ATOM 608 O HIS A 46 23.079 8.201 -1.956 1.00 0.00 O ATOM 609 CB HIS A 46 24.971 7.904 -4.291 1.00 0.00 C ATOM 610 CG HIS A 46 25.810 8.520 -3.165 1.00 0.00 C ATOM 611 ND1 HIS A 46 25.456 9.453 -2.207 1.00 0.00 N flip ATOM 612 CD2 HIS A 46 27.026 8.254 -2.928 1.00 0.00 C flip ATOM 613 CE1 HIS A 46 26.509 9.710 -1.416 1.00 0.00 C flip ATOM 614 NE2 HIS A 46 27.448 8.929 -1.924 1.00 0.00 N flip ATOM 0 H HIS A 46 22.219 7.784 -4.515 1.00 0.00 H new ATOM 0 HA HIS A 46 24.439 5.878 -3.787 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.627 7.431 -5.021 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.425 8.689 -4.814 1.00 0.00 H new ATOM 0 HD1 HIS A 46 24.534 9.881 -2.116 1.00 0.00 H new ATOM 0 HD2 HIS A 46 27.624 7.555 -3.494 1.00 0.00 H new ATOM 0 HE1 HIS A 46 26.574 10.385 -0.575 1.00 0.00 H new ATOM 622 N SER A 47 23.961 6.275 -1.379 1.00 0.00 N ATOM 623 CA SER A 47 23.654 6.513 0.058 1.00 0.00 C ATOM 624 C SER A 47 24.535 7.649 0.582 1.00 0.00 C ATOM 625 O SER A 47 25.712 7.719 0.288 1.00 0.00 O ATOM 626 CB SER A 47 23.935 5.240 0.859 1.00 0.00 C ATOM 627 OG SER A 47 23.877 4.115 -0.007 1.00 0.00 O ATOM 0 H SER A 47 24.427 5.391 -1.583 1.00 0.00 H new ATOM 0 HA SER A 47 22.604 6.784 0.166 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.917 5.302 1.328 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.205 5.133 1.661 1.00 0.00 H new ATOM 0 HG SER A 47 24.059 3.299 0.504 1.00 0.00 H new ATOM 633 N LEU A 48 23.977 8.539 1.356 1.00 0.00 N ATOM 634 CA LEU A 48 24.786 9.668 1.894 1.00 0.00 C ATOM 635 C LEU A 48 25.812 9.132 2.895 1.00 0.00 C ATOM 636 O LEU A 48 26.672 9.851 3.361 1.00 0.00 O ATOM 637 CB LEU A 48 23.864 10.671 2.591 1.00 0.00 C ATOM 638 CG LEU A 48 23.000 11.377 1.543 1.00 0.00 C ATOM 639 CD1 LEU A 48 22.269 12.553 2.194 1.00 0.00 C ATOM 640 CD2 LEU A 48 23.890 11.893 0.411 1.00 0.00 C ATOM 0 H LEU A 48 22.997 8.533 1.639 1.00 0.00 H new ATOM 0 HA LEU A 48 25.306 10.164 1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.231 10.158 3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 48 24.454 11.401 3.144 1.00 0.00 H new ATOM 0 HG LEU A 48 22.271 10.674 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.653 13.056 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 48 21.634 12.186 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 48 22.998 13.256 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 48 23.275 12.396 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.619 12.596 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 48 24.411 11.055 -0.053 1.00 0.00 H new ATOM 652 N THR A 49 25.728 7.874 3.231 1.00 0.00 N ATOM 653 CA THR A 49 26.700 7.298 4.201 1.00 0.00 C ATOM 654 C THR A 49 28.114 7.411 3.625 1.00 0.00 C ATOM 655 O THR A 49 28.428 8.337 2.906 1.00 0.00 O ATOM 656 CB THR A 49 26.364 5.826 4.450 1.00 0.00 C ATOM 657 OG1 THR A 49 25.017 5.578 4.072 1.00 0.00 O ATOM 658 CG2 THR A 49 26.548 5.503 5.934 1.00 0.00 C ATOM 0 H THR A 49 25.029 7.221 2.876 1.00 0.00 H new ATOM 0 HA THR A 49 26.644 7.844 5.143 1.00 0.00 H new ATOM 0 HB THR A 49 27.029 5.196 3.859 1.00 0.00 H new ATOM 0 HG1 THR A 49 24.801 4.635 4.229 1.00 0.00 H new ATOM 0 HG21 THR A 49 26.308 4.454 6.111 1.00 0.00 H new ATOM 0 HG22 THR A 49 27.582 5.693 6.222 1.00 0.00 H new ATOM 0 HG23 THR A 49 25.885 6.132 6.528 1.00 0.00 H new ATOM 666 N THR A 50 28.970 6.476 3.933 1.00 0.00 N ATOM 667 CA THR A 50 30.360 6.534 3.401 1.00 0.00 C ATOM 668 C THR A 50 30.323 6.906 1.917 1.00 0.00 C ATOM 669 O THR A 50 31.174 7.618 1.423 1.00 0.00 O ATOM 670 CB THR A 50 31.027 5.166 3.564 1.00 0.00 C ATOM 671 OG1 THR A 50 30.766 4.668 4.869 1.00 0.00 O ATOM 672 CG2 THR A 50 32.536 5.304 3.360 1.00 0.00 C ATOM 0 H THR A 50 28.767 5.674 4.530 1.00 0.00 H new ATOM 0 HA THR A 50 30.928 7.284 3.952 1.00 0.00 H new ATOM 0 HB THR A 50 30.626 4.474 2.823 1.00 0.00 H new ATOM 0 HG1 THR A 50 31.191 3.791 4.976 1.00 0.00 H new ATOM 0 HG21 THR A 50 33.010 4.329 3.476 1.00 0.00 H new ATOM 0 HG22 THR A 50 32.734 5.687 2.359 1.00 0.00 H new ATOM 0 HG23 THR A 50 32.941 5.995 4.099 1.00 0.00 H new ATOM 680 N GLY A 51 29.340 6.428 1.202 1.00 0.00 N ATOM 681 CA GLY A 51 29.247 6.754 -0.249 1.00 0.00 C ATOM 682 C GLY A 51 29.136 5.457 -1.052 1.00 0.00 C ATOM 683 O GLY A 51 29.926 5.193 -1.937 1.00 0.00 O ATOM 0 H GLY A 51 28.598 5.826 1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 51 28.379 7.387 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 51 30.126 7.316 -0.564 1.00 0.00 H new ATOM 687 N GLN A 52 28.159 4.646 -0.751 1.00 0.00 N ATOM 688 CA GLN A 52 27.996 3.365 -1.496 1.00 0.00 C ATOM 689 C GLN A 52 27.086 3.587 -2.707 1.00 0.00 C ATOM 690 O GLN A 52 26.274 4.490 -2.729 1.00 0.00 O ATOM 691 CB GLN A 52 27.371 2.318 -0.572 1.00 0.00 C ATOM 692 CG GLN A 52 28.422 1.833 0.428 1.00 0.00 C ATOM 693 CD GLN A 52 29.631 1.282 -0.331 1.00 0.00 C ATOM 694 OE1 GLN A 52 29.478 0.851 -1.554 1.00 0.00 O flip ATOM 695 NE2 GLN A 52 30.726 1.243 0.194 1.00 0.00 N flip ATOM 0 H GLN A 52 27.466 4.815 -0.021 1.00 0.00 H new ATOM 0 HA GLN A 52 28.971 3.016 -1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 52 26.519 2.745 -0.043 1.00 0.00 H new ATOM 0 HB3 GLN A 52 26.994 1.479 -1.157 1.00 0.00 H new ATOM 0 HG2 GLN A 52 28.729 2.654 1.076 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.999 1.061 1.070 1.00 0.00 H new ATOM 0 HE21 GLN A 52 30.846 1.580 1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 52 31.525 0.874 -0.321 1.00 0.00 H new ATOM 704 N THR A 53 27.218 2.769 -3.716 1.00 0.00 N ATOM 705 CA THR A 53 26.364 2.930 -4.925 1.00 0.00 C ATOM 706 C THR A 53 25.381 1.759 -5.009 1.00 0.00 C ATOM 707 O THR A 53 25.663 0.665 -4.562 1.00 0.00 O ATOM 708 CB THR A 53 27.251 2.954 -6.176 1.00 0.00 C ATOM 709 OG1 THR A 53 27.844 4.238 -6.307 1.00 0.00 O ATOM 710 CG2 THR A 53 26.412 2.650 -7.422 1.00 0.00 C ATOM 0 H THR A 53 27.882 1.995 -3.754 1.00 0.00 H new ATOM 0 HA THR A 53 25.808 3.865 -4.861 1.00 0.00 H new ATOM 0 HB THR A 53 28.029 2.196 -6.078 1.00 0.00 H new ATOM 0 HG1 THR A 53 28.413 4.256 -7.105 1.00 0.00 H new ATOM 0 HG21 THR A 53 27.051 2.670 -8.305 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.959 1.664 -7.324 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.628 3.401 -7.525 1.00 0.00 H new ATOM 718 N GLY A 54 24.231 1.982 -5.584 1.00 0.00 N ATOM 719 CA GLY A 54 23.229 0.886 -5.698 1.00 0.00 C ATOM 720 C GLY A 54 21.992 1.406 -6.432 1.00 0.00 C ATOM 721 O GLY A 54 21.368 2.361 -6.014 1.00 0.00 O ATOM 0 H GLY A 54 23.942 2.877 -5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.657 0.041 -6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.953 0.525 -4.707 1.00 0.00 H new ATOM 725 N TYR A 55 21.628 0.786 -7.522 1.00 0.00 N ATOM 726 CA TYR A 55 20.434 1.248 -8.277 1.00 0.00 C ATOM 727 C TYR A 55 19.154 0.812 -7.565 1.00 0.00 C ATOM 728 O TYR A 55 18.993 -0.336 -7.197 1.00 0.00 O ATOM 729 CB TYR A 55 20.450 0.645 -9.682 1.00 0.00 C ATOM 730 CG TYR A 55 21.892 0.438 -10.144 1.00 0.00 C ATOM 731 CD1 TYR A 55 22.723 1.520 -10.339 1.00 0.00 C ATOM 732 CD2 TYR A 55 22.377 -0.832 -10.386 1.00 0.00 C ATOM 733 CE1 TYR A 55 24.021 1.337 -10.772 1.00 0.00 C ATOM 734 CE2 TYR A 55 23.674 -1.015 -10.818 1.00 0.00 C ATOM 735 CZ TYR A 55 24.506 0.068 -11.014 1.00 0.00 C ATOM 736 OH TYR A 55 25.803 -0.115 -11.449 1.00 0.00 O ATOM 0 H TYR A 55 22.108 -0.021 -7.920 1.00 0.00 H new ATOM 0 HA TYR A 55 20.460 2.336 -8.337 1.00 0.00 H new ATOM 0 HB2 TYR A 55 19.918 -0.306 -9.685 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.928 1.304 -10.376 1.00 0.00 H new ATOM 0 HD1 TYR A 55 22.356 2.518 -10.152 1.00 0.00 H new ATOM 0 HD2 TYR A 55 21.736 -1.688 -10.236 1.00 0.00 H new ATOM 0 HE1 TYR A 55 24.662 2.193 -10.922 1.00 0.00 H new ATOM 0 HE2 TYR A 55 24.041 -2.013 -11.004 1.00 0.00 H new ATOM 0 HH TYR A 55 25.976 -1.072 -11.568 1.00 0.00 H new ATOM 746 N ILE A 56 18.244 1.723 -7.370 1.00 0.00 N ATOM 747 CA ILE A 56 16.966 1.374 -6.686 1.00 0.00 C ATOM 748 C ILE A 56 15.840 1.414 -7.726 1.00 0.00 C ATOM 749 O ILE A 56 15.577 2.453 -8.300 1.00 0.00 O ATOM 750 CB ILE A 56 16.675 2.389 -5.572 1.00 0.00 C ATOM 751 CG1 ILE A 56 16.544 3.790 -6.176 1.00 0.00 C ATOM 752 CG2 ILE A 56 17.826 2.377 -4.563 1.00 0.00 C ATOM 753 CD1 ILE A 56 15.064 4.164 -6.280 1.00 0.00 C ATOM 0 H ILE A 56 18.329 2.699 -7.655 1.00 0.00 H new ATOM 0 HA ILE A 56 17.038 0.381 -6.243 1.00 0.00 H new ATOM 0 HB ILE A 56 15.745 2.122 -5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 56 17.071 4.516 -5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 56 17.007 3.817 -7.162 1.00 0.00 H new ATOM 0 HG21 ILE A 56 17.622 3.097 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 56 17.922 1.380 -4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 56 18.755 2.645 -5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 56 14.970 5.161 -6.710 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.551 3.444 -6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 56 14.615 4.153 -5.287 1.00 0.00 H new ATOM 765 N PRO A 57 15.205 0.289 -7.946 1.00 0.00 N ATOM 766 CA PRO A 57 14.107 0.195 -8.921 1.00 0.00 C ATOM 767 C PRO A 57 13.111 1.342 -8.718 1.00 0.00 C ATOM 768 O PRO A 57 12.802 1.723 -7.607 1.00 0.00 O ATOM 769 CB PRO A 57 13.460 -1.170 -8.649 1.00 0.00 C ATOM 770 CG PRO A 57 14.343 -1.904 -7.603 1.00 0.00 C ATOM 771 CD PRO A 57 15.497 -0.961 -7.222 1.00 0.00 C ATOM 0 HA PRO A 57 14.452 0.277 -9.952 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.444 -1.045 -8.274 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.391 -1.752 -9.568 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.756 -2.165 -6.723 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.730 -2.836 -8.016 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.536 -0.796 -6.145 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.462 -1.375 -7.517 1.00 0.00 H new ATOM 779 N SER A 58 12.613 1.897 -9.792 1.00 0.00 N ATOM 780 CA SER A 58 11.641 3.017 -9.682 1.00 0.00 C ATOM 781 C SER A 58 10.341 2.519 -9.048 1.00 0.00 C ATOM 782 O SER A 58 9.623 3.267 -8.415 1.00 0.00 O ATOM 783 CB SER A 58 11.350 3.559 -11.079 1.00 0.00 C ATOM 784 OG SER A 58 10.548 2.628 -11.791 1.00 0.00 O ATOM 0 H SER A 58 12.842 1.618 -10.746 1.00 0.00 H new ATOM 0 HA SER A 58 12.062 3.804 -9.057 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.837 4.518 -11.009 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.283 3.735 -11.614 1.00 0.00 H new ATOM 0 HG SER A 58 9.777 3.091 -12.180 1.00 0.00 H new ATOM 790 N ASN A 59 10.029 1.264 -9.214 1.00 0.00 N ATOM 791 CA ASN A 59 8.775 0.728 -8.618 1.00 0.00 C ATOM 792 C ASN A 59 8.908 0.705 -7.094 1.00 0.00 C ATOM 793 O ASN A 59 7.950 0.481 -6.382 1.00 0.00 O ATOM 794 CB ASN A 59 8.534 -0.694 -9.131 1.00 0.00 C ATOM 795 CG ASN A 59 9.761 -1.558 -8.834 1.00 0.00 C ATOM 796 OD1 ASN A 59 10.725 -1.625 -9.711 1.00 0.00 O flip ATOM 797 ND2 ASN A 59 9.845 -2.176 -7.792 1.00 0.00 N flip ATOM 0 H ASN A 59 10.587 0.588 -9.736 1.00 0.00 H new ATOM 0 HA ASN A 59 7.935 1.363 -8.901 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.652 -1.120 -8.653 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.339 -0.677 -10.203 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.092 -2.124 -7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.669 -2.747 -7.603 1.00 0.00 H new ATOM 804 N TYR A 60 10.090 0.936 -6.587 1.00 0.00 N ATOM 805 CA TYR A 60 10.281 0.926 -5.109 1.00 0.00 C ATOM 806 C TYR A 60 10.594 2.341 -4.620 1.00 0.00 C ATOM 807 O TYR A 60 10.939 2.544 -3.473 1.00 0.00 O ATOM 808 CB TYR A 60 11.432 -0.013 -4.747 1.00 0.00 C ATOM 809 CG TYR A 60 10.871 -1.408 -4.458 1.00 0.00 C ATOM 810 CD1 TYR A 60 9.774 -1.878 -5.151 1.00 0.00 C ATOM 811 CD2 TYR A 60 11.450 -2.213 -3.499 1.00 0.00 C ATOM 812 CE1 TYR A 60 9.264 -3.133 -4.889 1.00 0.00 C ATOM 813 CE2 TYR A 60 10.939 -3.468 -3.236 1.00 0.00 C ATOM 814 CZ TYR A 60 9.842 -3.938 -3.929 1.00 0.00 C ATOM 815 OH TYR A 60 9.331 -5.193 -3.667 1.00 0.00 O ATOM 0 H TYR A 60 10.930 1.131 -7.132 1.00 0.00 H new ATOM 0 HA TYR A 60 9.367 0.576 -4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.151 -0.059 -5.565 1.00 0.00 H new ATOM 0 HB3 TYR A 60 11.966 0.365 -3.875 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.311 -1.258 -5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.310 -1.859 -2.950 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.406 -3.488 -5.440 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.401 -4.087 -2.482 1.00 0.00 H new ATOM 0 HH TYR A 60 9.861 -5.622 -2.963 1.00 0.00 H new ATOM 825 N VAL A 61 10.481 3.318 -5.485 1.00 0.00 N ATOM 826 CA VAL A 61 10.769 4.725 -5.079 1.00 0.00 C ATOM 827 C VAL A 61 9.700 5.645 -5.674 1.00 0.00 C ATOM 828 O VAL A 61 8.688 5.196 -6.173 1.00 0.00 O ATOM 829 CB VAL A 61 12.166 5.140 -5.575 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.103 5.647 -7.022 1.00 0.00 C ATOM 831 CG2 VAL A 61 12.725 6.242 -4.672 1.00 0.00 C ATOM 0 H VAL A 61 10.200 3.199 -6.458 1.00 0.00 H new ATOM 0 HA VAL A 61 10.751 4.805 -3.992 1.00 0.00 H new ATOM 0 HB VAL A 61 12.818 4.267 -5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.102 5.934 -7.351 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.722 4.856 -7.668 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.441 6.511 -7.076 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.714 6.535 -5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.060 7.106 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.799 5.872 -3.649 1.00 0.00 H new ATOM 841 N ALA A 62 9.921 6.927 -5.626 1.00 0.00 N ATOM 842 CA ALA A 62 8.921 7.881 -6.186 1.00 0.00 C ATOM 843 C ALA A 62 9.193 9.290 -5.639 1.00 0.00 C ATOM 844 O ALA A 62 9.200 9.489 -4.439 1.00 0.00 O ATOM 845 CB ALA A 62 7.515 7.443 -5.774 1.00 0.00 C ATOM 0 H ALA A 62 10.753 7.359 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 62 8.999 7.890 -7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.783 8.139 -6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.318 6.442 -6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.441 7.435 -4.687 1.00 0.00 H new ATOM 851 N PRO A 63 9.407 10.230 -6.529 1.00 0.00 N ATOM 852 CA PRO A 63 9.681 11.625 -6.139 1.00 0.00 C ATOM 853 C PRO A 63 8.474 12.213 -5.401 1.00 0.00 C ATOM 854 O PRO A 63 7.346 12.080 -5.834 1.00 0.00 O ATOM 855 CB PRO A 63 9.913 12.366 -7.463 1.00 0.00 C ATOM 856 CG PRO A 63 9.741 11.340 -8.613 1.00 0.00 C ATOM 857 CD PRO A 63 9.404 9.981 -7.981 1.00 0.00 C ATOM 0 HA PRO A 63 10.536 11.708 -5.468 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.203 13.186 -7.572 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.911 12.804 -7.487 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.947 11.654 -9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.655 11.271 -9.204 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.433 9.618 -8.318 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.140 9.224 -8.254 1.00 0.00 H new ATOM 865 N SER A 64 8.701 12.861 -4.291 1.00 0.00 N ATOM 866 CA SER A 64 7.565 13.454 -3.530 1.00 0.00 C ATOM 867 C SER A 64 8.019 14.759 -2.872 1.00 0.00 C ATOM 868 O SER A 64 8.930 15.378 -3.395 1.00 0.00 O ATOM 869 CB SER A 64 7.104 12.473 -2.451 1.00 0.00 C ATOM 870 OG SER A 64 5.918 11.820 -2.880 1.00 0.00 O ATOM 871 OXT SER A 64 7.447 15.116 -1.855 1.00 0.00 O ATOM 0 H SER A 64 9.623 13.005 -3.879 1.00 0.00 H new ATOM 0 HA SER A 64 6.739 13.657 -4.211 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.885 11.739 -2.254 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.922 13.003 -1.516 1.00 0.00 H new ATOM 0 HG SER A 64 5.623 11.190 -2.190 1.00 0.00 H new TER 877 SER A 64