USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 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 18 SER OG : rot 158:sc= 1.02 USER MOD Set 1.2: A 25 SER OG : rot 180:sc= -1.53 USER MOD Single : A 9 THR OG1 : rot 17:sc= 0.87 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.076 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 27 LYS NZ :NH3+ 163:sc=-0.00434 (180deg=-0.078) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.685 K(o=-0.68,f=-5.3!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 37 ASN : amide:sc= -1.71 K(o=-1.7,f=-3.4) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -4.33! C(o=-7.1!,f=-4.3!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 162:sc= -1.9! USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) 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 120:sc= -0.0539 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.35) 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 15.470 14.813 -3.380 1.00 0.00 N ATOM 2 CA THR A 9 14.460 14.570 -2.313 1.00 0.00 C ATOM 3 C THR A 9 13.597 13.364 -2.691 1.00 0.00 C ATOM 4 O THR A 9 12.409 13.483 -2.910 1.00 0.00 O ATOM 5 CB THR A 9 13.571 15.808 -2.161 1.00 0.00 C ATOM 6 OG1 THR A 9 14.231 16.934 -2.724 1.00 0.00 O ATOM 7 CG2 THR A 9 13.298 16.063 -0.678 1.00 0.00 C ATOM 0 HA THR A 9 14.969 14.370 -1.370 1.00 0.00 H new ATOM 0 HB THR A 9 12.626 15.644 -2.679 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.954 16.630 -3.311 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.665 16.944 -0.571 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.792 15.199 -0.247 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.241 16.228 -0.158 1.00 0.00 H new ATOM 17 N PHE A 10 14.189 12.203 -2.771 1.00 0.00 N ATOM 18 CA PHE A 10 13.407 10.988 -3.135 1.00 0.00 C ATOM 19 C PHE A 10 13.316 10.057 -1.922 1.00 0.00 C ATOM 20 O PHE A 10 14.119 10.126 -1.014 1.00 0.00 O ATOM 21 CB PHE A 10 14.108 10.255 -4.281 1.00 0.00 C ATOM 22 CG PHE A 10 13.663 10.848 -5.621 1.00 0.00 C ATOM 23 CD1 PHE A 10 13.635 12.218 -5.809 1.00 0.00 C ATOM 24 CD2 PHE A 10 13.286 10.018 -6.662 1.00 0.00 C ATOM 25 CE1 PHE A 10 13.236 12.749 -7.018 1.00 0.00 C ATOM 26 CE2 PHE A 10 12.886 10.551 -7.871 1.00 0.00 C ATOM 27 CZ PHE A 10 12.862 11.916 -8.049 1.00 0.00 C ATOM 0 H PHE A 10 15.182 12.044 -2.600 1.00 0.00 H new ATOM 0 HA PHE A 10 12.405 11.282 -3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 10 15.189 10.343 -4.174 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.870 9.192 -4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 10 13.927 12.876 -5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.305 8.947 -6.528 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.217 13.820 -7.156 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.592 9.897 -8.678 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.550 12.333 -8.995 1.00 0.00 H new ATOM 37 N VAL A 11 12.344 9.186 -1.902 1.00 0.00 N ATOM 38 CA VAL A 11 12.202 8.252 -0.750 1.00 0.00 C ATOM 39 C VAL A 11 12.158 6.815 -1.272 1.00 0.00 C ATOM 40 O VAL A 11 11.843 6.574 -2.421 1.00 0.00 O ATOM 41 CB VAL A 11 10.908 8.558 0.007 1.00 0.00 C ATOM 42 CG1 VAL A 11 10.783 7.615 1.206 1.00 0.00 C ATOM 43 CG2 VAL A 11 10.935 10.006 0.500 1.00 0.00 C ATOM 0 H VAL A 11 11.642 9.081 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 11 13.050 8.375 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 11 10.056 8.416 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.861 7.833 1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.764 6.583 0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.635 7.757 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.013 10.224 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.787 10.148 1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.024 10.679 -0.353 1.00 0.00 H new ATOM 53 N ALA A 12 12.470 5.857 -0.444 1.00 0.00 N ATOM 54 CA ALA A 12 12.442 4.443 -0.907 1.00 0.00 C ATOM 55 C ALA A 12 11.065 3.836 -0.629 1.00 0.00 C ATOM 56 O ALA A 12 10.825 3.277 0.424 1.00 0.00 O ATOM 57 CB ALA A 12 13.515 3.637 -0.173 1.00 0.00 C ATOM 0 H ALA A 12 12.742 5.992 0.530 1.00 0.00 H new ATOM 0 HA ALA A 12 12.640 4.414 -1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.491 2.602 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.496 4.065 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.324 3.669 0.900 1.00 0.00 H new ATOM 63 N LEU A 13 10.161 3.964 -1.565 1.00 0.00 N ATOM 64 CA LEU A 13 8.786 3.406 -1.393 1.00 0.00 C ATOM 65 C LEU A 13 8.834 2.112 -0.590 1.00 0.00 C ATOM 66 O LEU A 13 8.120 1.942 0.379 1.00 0.00 O ATOM 67 CB LEU A 13 8.201 3.083 -2.764 1.00 0.00 C ATOM 68 CG LEU A 13 7.521 4.311 -3.359 1.00 0.00 C ATOM 69 CD1 LEU A 13 7.155 4.006 -4.810 1.00 0.00 C ATOM 70 CD2 LEU A 13 6.252 4.628 -2.565 1.00 0.00 C ATOM 0 H LEU A 13 10.319 4.438 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 13 8.176 4.143 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.992 2.739 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.482 2.269 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 13 8.191 5.169 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.667 4.874 -5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.059 3.773 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.477 3.153 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.766 5.506 -2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.571 3.778 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.513 4.826 -1.525 1.00 0.00 H new ATOM 82 N TYR A 14 9.670 1.194 -0.982 1.00 0.00 N ATOM 83 CA TYR A 14 9.754 -0.090 -0.232 1.00 0.00 C ATOM 84 C TYR A 14 11.213 -0.438 0.063 1.00 0.00 C ATOM 85 O TYR A 14 12.114 0.337 -0.186 1.00 0.00 O ATOM 86 CB TYR A 14 9.133 -1.203 -1.074 1.00 0.00 C ATOM 87 CG TYR A 14 7.793 -0.737 -1.639 1.00 0.00 C ATOM 88 CD1 TYR A 14 7.733 -0.069 -2.845 1.00 0.00 C ATOM 89 CD2 TYR A 14 6.621 -1.005 -0.964 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.516 0.320 -3.370 1.00 0.00 C ATOM 91 CE2 TYR A 14 5.405 -0.616 -1.488 1.00 0.00 C ATOM 92 CZ TYR A 14 5.343 0.050 -2.696 1.00 0.00 C ATOM 93 OH TYR A 14 4.128 0.439 -3.221 1.00 0.00 O ATOM 0 H TYR A 14 10.295 1.275 -1.784 1.00 0.00 H new ATOM 0 HA TYR A 14 9.216 0.013 0.711 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.806 -1.475 -1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.991 -2.096 -0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.644 0.151 -3.382 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.655 -1.524 -0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.483 0.840 -4.316 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.495 -0.834 -0.949 1.00 0.00 H new ATOM 0 HH TYR A 14 3.408 0.167 -2.615 1.00 0.00 H new ATOM 103 N ASP A 15 11.446 -1.606 0.596 1.00 0.00 N ATOM 104 CA ASP A 15 12.839 -2.023 0.916 1.00 0.00 C ATOM 105 C ASP A 15 13.351 -2.971 -0.174 1.00 0.00 C ATOM 106 O ASP A 15 13.597 -4.135 0.071 1.00 0.00 O ATOM 107 CB ASP A 15 12.855 -2.738 2.268 1.00 0.00 C ATOM 108 CG ASP A 15 12.102 -4.065 2.156 1.00 0.00 C ATOM 109 OD1 ASP A 15 10.898 -4.027 1.960 1.00 0.00 O ATOM 110 OD2 ASP A 15 12.742 -5.098 2.270 1.00 0.00 O ATOM 0 H ASP A 15 10.727 -2.292 0.824 1.00 0.00 H new ATOM 0 HA ASP A 15 13.483 -1.145 0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.883 -2.917 2.584 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.393 -2.109 3.029 1.00 0.00 H new ATOM 115 N TYR A 16 13.507 -2.478 -1.374 1.00 0.00 N ATOM 116 CA TYR A 16 14.003 -3.342 -2.486 1.00 0.00 C ATOM 117 C TYR A 16 15.122 -4.252 -1.974 1.00 0.00 C ATOM 118 O TYR A 16 16.260 -3.844 -1.848 1.00 0.00 O ATOM 119 CB TYR A 16 14.539 -2.454 -3.612 1.00 0.00 C ATOM 120 CG TYR A 16 15.355 -3.295 -4.596 1.00 0.00 C ATOM 121 CD1 TYR A 16 14.727 -4.130 -5.496 1.00 0.00 C ATOM 122 CD2 TYR A 16 16.733 -3.215 -4.609 1.00 0.00 C ATOM 123 CE1 TYR A 16 15.465 -4.873 -6.396 1.00 0.00 C ATOM 124 CE2 TYR A 16 17.471 -3.956 -5.509 1.00 0.00 C ATOM 125 CZ TYR A 16 16.843 -4.792 -6.409 1.00 0.00 C ATOM 126 OH TYR A 16 17.580 -5.535 -7.308 1.00 0.00 O ATOM 0 H TYR A 16 13.312 -1.511 -1.633 1.00 0.00 H new ATOM 0 HA TYR A 16 13.186 -3.958 -2.861 1.00 0.00 H new ATOM 0 HB2 TYR A 16 13.711 -1.972 -4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.160 -1.660 -3.197 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.649 -4.203 -5.497 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.238 -2.567 -3.908 1.00 0.00 H new ATOM 0 HE1 TYR A 16 14.960 -5.523 -7.095 1.00 0.00 H new ATOM 0 HE2 TYR A 16 18.548 -3.881 -5.509 1.00 0.00 H new ATOM 0 HH TYR A 16 18.534 -5.354 -7.177 1.00 0.00 H new ATOM 136 N GLU A 17 14.808 -5.485 -1.680 1.00 0.00 N ATOM 137 CA GLU A 17 15.852 -6.423 -1.177 1.00 0.00 C ATOM 138 C GLU A 17 16.689 -6.935 -2.352 1.00 0.00 C ATOM 139 O GLU A 17 16.502 -8.039 -2.824 1.00 0.00 O ATOM 140 CB GLU A 17 15.179 -7.605 -0.476 1.00 0.00 C ATOM 141 CG GLU A 17 16.227 -8.395 0.311 1.00 0.00 C ATOM 142 CD GLU A 17 15.696 -8.689 1.716 1.00 0.00 C ATOM 143 OE1 GLU A 17 14.492 -8.618 1.899 1.00 0.00 O ATOM 144 OE2 GLU A 17 16.502 -8.981 2.584 1.00 0.00 O ATOM 0 H GLU A 17 13.873 -5.883 -1.767 1.00 0.00 H new ATOM 0 HA GLU A 17 16.499 -5.902 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.398 -7.247 0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.697 -8.251 -1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.458 -9.327 -0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.155 -7.827 0.373 1.00 0.00 H new ATOM 151 N SER A 18 17.608 -6.140 -2.828 1.00 0.00 N ATOM 152 CA SER A 18 18.456 -6.582 -3.971 1.00 0.00 C ATOM 153 C SER A 18 19.107 -7.924 -3.643 1.00 0.00 C ATOM 154 O SER A 18 18.767 -8.576 -2.676 1.00 0.00 O ATOM 155 CB SER A 18 19.551 -5.545 -4.226 1.00 0.00 C ATOM 156 OG SER A 18 20.717 -5.899 -3.496 1.00 0.00 O ATOM 0 H SER A 18 17.808 -5.204 -2.475 1.00 0.00 H new ATOM 0 HA SER A 18 17.832 -6.686 -4.859 1.00 0.00 H new ATOM 0 HB2 SER A 18 19.777 -5.494 -5.291 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.207 -4.555 -3.925 1.00 0.00 H new ATOM 0 HG SER A 18 21.500 -5.472 -3.903 1.00 0.00 H new ATOM 162 N ARG A 19 20.045 -8.338 -4.447 1.00 0.00 N ATOM 163 CA ARG A 19 20.730 -9.638 -4.194 1.00 0.00 C ATOM 164 C ARG A 19 22.186 -9.562 -4.666 1.00 0.00 C ATOM 165 O ARG A 19 23.064 -10.180 -4.095 1.00 0.00 O ATOM 166 CB ARG A 19 20.003 -10.751 -4.952 1.00 0.00 C ATOM 167 CG ARG A 19 19.037 -11.463 -4.004 1.00 0.00 C ATOM 168 CD ARG A 19 18.729 -12.860 -4.542 1.00 0.00 C ATOM 169 NE ARG A 19 19.300 -13.883 -3.623 1.00 0.00 N ATOM 170 CZ ARG A 19 19.170 -15.153 -3.896 1.00 0.00 C ATOM 171 NH1 ARG A 19 18.085 -15.788 -3.545 1.00 0.00 N ATOM 172 NH2 ARG A 19 20.124 -15.787 -4.522 1.00 0.00 N ATOM 0 H ARG A 19 20.369 -7.832 -5.271 1.00 0.00 H new ATOM 0 HA ARG A 19 20.713 -9.851 -3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 19 19.458 -10.334 -5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 19 20.724 -11.462 -5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 19 19.475 -11.534 -3.008 1.00 0.00 H new ATOM 0 HG3 ARG A 19 18.116 -10.888 -3.907 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.651 -12.997 -4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.150 -12.978 -5.541 1.00 0.00 H new ATOM 0 HE ARG A 19 19.793 -13.591 -2.779 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.339 -15.292 -3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 19 17.983 -16.780 -3.758 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.971 -15.290 -4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 19 20.022 -16.779 -4.735 1.00 0.00 H new ATOM 186 N THR A 20 22.454 -8.811 -5.700 1.00 0.00 N ATOM 187 CA THR A 20 23.854 -8.703 -6.199 1.00 0.00 C ATOM 188 C THR A 20 24.621 -7.686 -5.352 1.00 0.00 C ATOM 189 O THR A 20 24.094 -7.119 -4.416 1.00 0.00 O ATOM 190 CB THR A 20 23.844 -8.243 -7.658 1.00 0.00 C ATOM 191 OG1 THR A 20 22.788 -7.310 -7.851 1.00 0.00 O ATOM 192 CG2 THR A 20 23.636 -9.448 -8.576 1.00 0.00 C ATOM 0 H THR A 20 21.764 -8.268 -6.220 1.00 0.00 H new ATOM 0 HA THR A 20 24.339 -9.677 -6.128 1.00 0.00 H new ATOM 0 HB THR A 20 24.797 -7.770 -7.896 1.00 0.00 H new ATOM 0 HG1 THR A 20 22.781 -7.013 -8.785 1.00 0.00 H new ATOM 0 HG21 THR A 20 23.629 -9.117 -9.615 1.00 0.00 H new ATOM 0 HG22 THR A 20 24.446 -10.162 -8.428 1.00 0.00 H new ATOM 0 HG23 THR A 20 22.684 -9.925 -8.341 1.00 0.00 H new ATOM 200 N GLU A 21 25.864 -7.453 -5.672 1.00 0.00 N ATOM 201 CA GLU A 21 26.665 -6.474 -4.887 1.00 0.00 C ATOM 202 C GLU A 21 26.514 -5.081 -5.503 1.00 0.00 C ATOM 203 O GLU A 21 26.621 -4.077 -4.826 1.00 0.00 O ATOM 204 CB GLU A 21 28.138 -6.884 -4.912 1.00 0.00 C ATOM 205 CG GLU A 21 28.909 -6.089 -3.856 1.00 0.00 C ATOM 206 CD GLU A 21 29.700 -4.971 -4.536 1.00 0.00 C ATOM 207 OE1 GLU A 21 30.326 -5.246 -5.546 1.00 0.00 O ATOM 208 OE2 GLU A 21 29.668 -3.859 -4.035 1.00 0.00 O ATOM 0 H GLU A 21 26.359 -7.899 -6.444 1.00 0.00 H new ATOM 0 HA GLU A 21 26.309 -6.457 -3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 21 28.232 -7.952 -4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 21 28.560 -6.701 -5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 21 28.218 -5.668 -3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 21 29.585 -6.748 -3.311 1.00 0.00 H new ATOM 215 N THR A 22 26.266 -5.013 -6.782 1.00 0.00 N ATOM 216 CA THR A 22 26.108 -3.685 -7.441 1.00 0.00 C ATOM 217 C THR A 22 24.810 -3.031 -6.965 1.00 0.00 C ATOM 218 O THR A 22 24.813 -1.941 -6.427 1.00 0.00 O ATOM 219 CB THR A 22 26.055 -3.872 -8.959 1.00 0.00 C ATOM 220 OG1 THR A 22 26.883 -4.966 -9.329 1.00 0.00 O ATOM 221 CG2 THR A 22 26.550 -2.599 -9.648 1.00 0.00 C ATOM 0 H THR A 22 26.166 -5.819 -7.399 1.00 0.00 H new ATOM 0 HA THR A 22 26.954 -3.048 -7.181 1.00 0.00 H new ATOM 0 HB THR A 22 25.029 -4.073 -9.266 1.00 0.00 H new ATOM 0 HG1 THR A 22 26.849 -5.088 -10.301 1.00 0.00 H new ATOM 0 HG21 THR A 22 26.512 -2.732 -10.729 1.00 0.00 H new ATOM 0 HG22 THR A 22 25.914 -1.761 -9.363 1.00 0.00 H new ATOM 0 HG23 THR A 22 27.577 -2.396 -9.343 1.00 0.00 H new ATOM 229 N ASP A 23 23.699 -3.688 -7.157 1.00 0.00 N ATOM 230 CA ASP A 23 22.403 -3.103 -6.715 1.00 0.00 C ATOM 231 C ASP A 23 22.263 -3.251 -5.200 1.00 0.00 C ATOM 232 O ASP A 23 22.258 -4.344 -4.671 1.00 0.00 O ATOM 233 CB ASP A 23 21.251 -3.837 -7.407 1.00 0.00 C ATOM 234 CG ASP A 23 21.600 -4.061 -8.880 1.00 0.00 C ATOM 235 OD1 ASP A 23 22.496 -3.390 -9.365 1.00 0.00 O ATOM 236 OD2 ASP A 23 20.967 -4.901 -9.497 1.00 0.00 O ATOM 0 H ASP A 23 23.633 -4.604 -7.601 1.00 0.00 H new ATOM 0 HA ASP A 23 22.374 -2.046 -6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.068 -4.793 -6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.333 -3.255 -7.324 1.00 0.00 H new ATOM 241 N LEU A 24 22.151 -2.157 -4.498 1.00 0.00 N ATOM 242 CA LEU A 24 22.011 -2.236 -3.018 1.00 0.00 C ATOM 243 C LEU A 24 20.555 -2.533 -2.664 1.00 0.00 C ATOM 244 O LEU A 24 19.692 -2.567 -3.519 1.00 0.00 O ATOM 245 CB LEU A 24 22.425 -0.903 -2.391 1.00 0.00 C ATOM 246 CG LEU A 24 23.911 -0.949 -2.032 1.00 0.00 C ATOM 247 CD1 LEU A 24 24.718 -1.405 -3.249 1.00 0.00 C ATOM 248 CD2 LEU A 24 24.375 0.445 -1.606 1.00 0.00 C ATOM 0 H LEU A 24 22.150 -1.213 -4.885 1.00 0.00 H new ATOM 0 HA LEU A 24 22.651 -3.030 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 24 22.233 -0.086 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 24 21.830 -0.708 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 24 24.065 -1.651 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 24 25.777 -1.437 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 24 24.388 -2.398 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 24 24.565 -0.705 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 24 25.434 0.413 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 24 24.221 1.146 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 24 23.801 0.770 -0.738 1.00 0.00 H new ATOM 260 N SER A 25 20.272 -2.747 -1.411 1.00 0.00 N ATOM 261 CA SER A 25 18.873 -3.043 -1.004 1.00 0.00 C ATOM 262 C SER A 25 18.240 -1.791 -0.395 1.00 0.00 C ATOM 263 O SER A 25 17.053 -1.563 -0.521 1.00 0.00 O ATOM 264 CB SER A 25 18.879 -4.163 0.037 1.00 0.00 C ATOM 265 OG SER A 25 18.749 -5.418 -0.613 1.00 0.00 O ATOM 0 H SER A 25 20.951 -2.730 -0.650 1.00 0.00 H new ATOM 0 HA SER A 25 18.298 -3.352 -1.877 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.805 -4.134 0.612 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.061 -4.021 0.743 1.00 0.00 H new ATOM 0 HG SER A 25 18.755 -6.135 0.055 1.00 0.00 H new ATOM 271 N PHE A 26 19.034 -0.962 0.232 1.00 0.00 N ATOM 272 CA PHE A 26 18.500 0.282 0.860 1.00 0.00 C ATOM 273 C PHE A 26 17.156 -0.016 1.526 1.00 0.00 C ATOM 274 O PHE A 26 16.780 -1.159 1.699 1.00 0.00 O ATOM 275 CB PHE A 26 18.371 1.421 -0.173 1.00 0.00 C ATOM 276 CG PHE A 26 17.520 1.018 -1.388 1.00 0.00 C ATOM 277 CD1 PHE A 26 18.014 0.148 -2.347 1.00 0.00 C ATOM 278 CD2 PHE A 26 16.273 1.589 -1.584 1.00 0.00 C ATOM 279 CE1 PHE A 26 17.275 -0.139 -3.480 1.00 0.00 C ATOM 280 CE2 PHE A 26 15.540 1.300 -2.719 1.00 0.00 C ATOM 281 CZ PHE A 26 16.041 0.436 -3.661 1.00 0.00 C ATOM 0 H PHE A 26 20.040 -1.096 0.336 1.00 0.00 H new ATOM 0 HA PHE A 26 19.203 0.620 1.621 1.00 0.00 H new ATOM 0 HB2 PHE A 26 17.925 2.293 0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 26 19.365 1.716 -0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 26 18.983 -0.309 -2.209 1.00 0.00 H new ATOM 0 HD2 PHE A 26 15.871 2.265 -0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 26 17.669 -0.816 -4.224 1.00 0.00 H new ATOM 0 HE2 PHE A 26 14.571 1.755 -2.865 1.00 0.00 H new ATOM 0 HZ PHE A 26 15.464 0.208 -4.545 1.00 0.00 H new ATOM 291 N LYS A 27 16.438 0.988 1.937 1.00 0.00 N ATOM 292 CA LYS A 27 15.126 0.724 2.591 1.00 0.00 C ATOM 293 C LYS A 27 14.256 1.981 2.574 1.00 0.00 C ATOM 294 O LYS A 27 14.697 3.053 2.212 1.00 0.00 O ATOM 295 CB LYS A 27 15.365 0.298 4.041 1.00 0.00 C ATOM 296 CG LYS A 27 14.212 -0.590 4.509 1.00 0.00 C ATOM 297 CD LYS A 27 14.732 -1.612 5.523 1.00 0.00 C ATOM 298 CE LYS A 27 14.519 -1.079 6.941 1.00 0.00 C ATOM 299 NZ LYS A 27 13.087 -1.237 7.323 1.00 0.00 N ATOM 0 H LYS A 27 16.697 1.971 1.851 1.00 0.00 H new ATOM 0 HA LYS A 27 14.612 -0.067 2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.309 -0.241 4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.444 1.177 4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.430 0.020 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.765 -1.102 3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.211 -2.561 5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.791 -1.804 5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.155 -1.619 7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.806 -0.029 6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.992 -1.152 8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.521 -0.497 6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.748 -2.172 7.020 1.00 0.00 H new ATOM 313 N LYS A 28 13.018 1.847 2.966 1.00 0.00 N ATOM 314 CA LYS A 28 12.102 3.021 2.982 1.00 0.00 C ATOM 315 C LYS A 28 12.513 3.955 4.122 1.00 0.00 C ATOM 316 O LYS A 28 12.914 3.518 5.183 1.00 0.00 O ATOM 317 CB LYS A 28 10.663 2.530 3.189 1.00 0.00 C ATOM 318 CG LYS A 28 9.783 3.678 3.695 1.00 0.00 C ATOM 319 CD LYS A 28 9.437 3.442 5.167 1.00 0.00 C ATOM 320 CE LYS A 28 8.073 4.062 5.475 1.00 0.00 C ATOM 321 NZ LYS A 28 8.264 5.429 6.040 1.00 0.00 N ATOM 0 H LYS A 28 12.601 0.970 3.277 1.00 0.00 H new ATOM 0 HA LYS A 28 12.161 3.562 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.264 2.142 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.650 1.709 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.304 4.628 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.871 3.741 3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.419 2.373 5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.202 3.883 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.472 4.113 4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.529 3.437 6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.337 5.851 6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.822 5.368 6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.766 6.023 5.350 1.00 0.00 H new ATOM 335 N GLY A 29 12.416 5.239 3.913 1.00 0.00 N ATOM 336 CA GLY A 29 12.802 6.198 4.985 1.00 0.00 C ATOM 337 C GLY A 29 14.280 6.557 4.824 1.00 0.00 C ATOM 338 O GLY A 29 14.731 7.593 5.268 1.00 0.00 O ATOM 0 H GLY A 29 12.086 5.665 3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.188 7.096 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.627 5.757 5.966 1.00 0.00 H new ATOM 342 N GLU A 30 15.037 5.703 4.190 1.00 0.00 N ATOM 343 CA GLU A 30 16.486 5.987 3.996 1.00 0.00 C ATOM 344 C GLU A 30 16.654 7.023 2.883 1.00 0.00 C ATOM 345 O GLU A 30 16.720 6.689 1.716 1.00 0.00 O ATOM 346 CB GLU A 30 17.211 4.698 3.604 1.00 0.00 C ATOM 347 CG GLU A 30 18.516 4.585 4.395 1.00 0.00 C ATOM 348 CD GLU A 30 18.712 3.138 4.851 1.00 0.00 C ATOM 349 OE1 GLU A 30 18.442 2.247 4.062 1.00 0.00 O ATOM 350 OE2 GLU A 30 19.130 2.946 5.981 1.00 0.00 O ATOM 0 H GLU A 30 14.713 4.819 3.797 1.00 0.00 H new ATOM 0 HA GLU A 30 16.909 6.374 4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.576 3.835 3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.421 4.697 2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.357 4.900 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.489 5.249 5.259 1.00 0.00 H new ATOM 357 N ARG A 31 16.724 8.277 3.233 1.00 0.00 N ATOM 358 CA ARG A 31 16.886 9.333 2.194 1.00 0.00 C ATOM 359 C ARG A 31 17.937 8.891 1.173 1.00 0.00 C ATOM 360 O ARG A 31 19.108 8.784 1.479 1.00 0.00 O ATOM 361 CB ARG A 31 17.335 10.635 2.858 1.00 0.00 C ATOM 362 CG ARG A 31 16.108 11.405 3.347 1.00 0.00 C ATOM 363 CD ARG A 31 16.259 11.713 4.839 1.00 0.00 C ATOM 364 NE ARG A 31 16.919 13.039 5.008 1.00 0.00 N ATOM 365 CZ ARG A 31 16.410 13.922 5.823 1.00 0.00 C ATOM 366 NH1 ARG A 31 16.695 13.876 7.095 1.00 0.00 N ATOM 367 NH2 ARG A 31 15.615 14.850 5.365 1.00 0.00 N ATOM 0 H ARG A 31 16.676 8.617 4.194 1.00 0.00 H new ATOM 0 HA ARG A 31 15.934 9.492 1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 31 18.000 10.419 3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 31 17.900 11.241 2.150 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.998 12.331 2.783 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.205 10.819 3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 31 15.281 11.717 5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.850 10.936 5.324 1.00 0.00 H new ATOM 0 HE ARG A 31 17.768 13.256 4.487 1.00 0.00 H new ATOM 0 HH11 ARG A 31 17.316 13.150 7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 31 16.297 14.566 7.732 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.392 14.885 4.370 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.217 15.540 6.002 1.00 0.00 H new ATOM 381 N LEU A 32 17.527 8.633 -0.039 1.00 0.00 N ATOM 382 CA LEU A 32 18.501 8.199 -1.080 1.00 0.00 C ATOM 383 C LEU A 32 18.786 9.368 -2.023 1.00 0.00 C ATOM 384 O LEU A 32 17.989 10.275 -2.159 1.00 0.00 O ATOM 385 CB LEU A 32 17.912 7.032 -1.877 1.00 0.00 C ATOM 386 CG LEU A 32 17.723 5.826 -0.955 1.00 0.00 C ATOM 387 CD1 LEU A 32 16.254 5.397 -0.973 1.00 0.00 C ATOM 388 CD2 LEU A 32 18.598 4.670 -1.441 1.00 0.00 C ATOM 0 H LEU A 32 16.559 8.704 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 32 19.427 7.880 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.956 7.322 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.574 6.771 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 32 18.011 6.096 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.118 4.538 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.630 6.221 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.966 5.126 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.463 3.811 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.311 4.399 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.644 4.976 -1.429 1.00 0.00 H new ATOM 400 N GLN A 33 19.916 9.360 -2.677 1.00 0.00 N ATOM 401 CA GLN A 33 20.242 10.476 -3.609 1.00 0.00 C ATOM 402 C GLN A 33 20.165 9.980 -5.054 1.00 0.00 C ATOM 403 O GLN A 33 21.123 9.465 -5.594 1.00 0.00 O ATOM 404 CB GLN A 33 21.657 10.982 -3.320 1.00 0.00 C ATOM 405 CG GLN A 33 21.828 12.382 -3.912 1.00 0.00 C ATOM 406 CD GLN A 33 23.167 12.466 -4.647 1.00 0.00 C ATOM 407 OE1 GLN A 33 23.885 11.490 -4.740 1.00 0.00 O ATOM 408 NE2 GLN A 33 23.536 13.600 -5.177 1.00 0.00 N ATOM 0 H GLN A 33 20.626 8.631 -2.606 1.00 0.00 H new ATOM 0 HA GLN A 33 19.527 11.286 -3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.834 11.006 -2.245 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.393 10.302 -3.749 1.00 0.00 H new ATOM 0 HG2 GLN A 33 21.010 12.600 -4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.788 13.130 -3.120 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.934 14.419 -5.099 1.00 0.00 H new ATOM 0 HE22 GLN A 33 24.427 13.667 -5.669 1.00 0.00 H new ATOM 417 N ILE A 34 19.032 10.131 -5.686 1.00 0.00 N ATOM 418 CA ILE A 34 18.900 9.667 -7.095 1.00 0.00 C ATOM 419 C ILE A 34 20.129 10.117 -7.890 1.00 0.00 C ATOM 420 O ILE A 34 20.929 10.901 -7.419 1.00 0.00 O ATOM 421 CB ILE A 34 17.639 10.273 -7.717 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.429 9.951 -6.839 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.427 9.684 -9.114 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.424 8.459 -6.503 1.00 0.00 C ATOM 0 H ILE A 34 18.194 10.555 -5.287 1.00 0.00 H new ATOM 0 HA ILE A 34 18.827 8.580 -7.117 1.00 0.00 H new ATOM 0 HB ILE A 34 17.755 11.354 -7.791 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.464 10.541 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.509 10.221 -7.357 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.529 10.115 -9.558 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.288 9.915 -9.741 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.312 8.603 -9.039 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.561 8.230 -5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.368 7.879 -7.424 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.339 8.203 -5.968 1.00 0.00 H new ATOM 436 N VAL A 35 20.288 9.631 -9.090 1.00 0.00 N ATOM 437 CA VAL A 35 21.468 10.037 -9.904 1.00 0.00 C ATOM 438 C VAL A 35 21.040 10.281 -11.351 1.00 0.00 C ATOM 439 O VAL A 35 21.006 11.402 -11.819 1.00 0.00 O ATOM 440 CB VAL A 35 22.520 8.927 -9.860 1.00 0.00 C ATOM 441 CG1 VAL A 35 23.717 9.321 -10.729 1.00 0.00 C ATOM 442 CG2 VAL A 35 22.986 8.724 -8.416 1.00 0.00 C ATOM 0 H VAL A 35 19.654 8.972 -9.541 1.00 0.00 H new ATOM 0 HA VAL A 35 21.889 10.956 -9.497 1.00 0.00 H new ATOM 0 HB VAL A 35 22.086 8.001 -10.238 1.00 0.00 H new ATOM 0 HG11 VAL A 35 24.466 8.530 -10.697 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.387 9.467 -11.758 1.00 0.00 H new ATOM 0 HG13 VAL A 35 24.151 10.247 -10.352 1.00 0.00 H new ATOM 0 HG21 VAL A 35 23.736 7.933 -8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.419 9.651 -8.040 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.135 8.443 -7.795 1.00 0.00 H new ATOM 452 N ASN A 36 20.716 9.240 -12.062 1.00 0.00 N ATOM 453 CA ASN A 36 20.291 9.408 -13.482 1.00 0.00 C ATOM 454 C ASN A 36 19.060 8.540 -13.754 1.00 0.00 C ATOM 455 O ASN A 36 18.385 8.108 -12.845 1.00 0.00 O ATOM 456 CB ASN A 36 21.433 8.975 -14.402 1.00 0.00 C ATOM 457 CG ASN A 36 22.073 10.208 -15.043 1.00 0.00 C ATOM 458 OD1 ASN A 36 21.440 10.909 -15.807 1.00 0.00 O ATOM 459 ND2 ASN A 36 23.312 10.504 -14.760 1.00 0.00 N ATOM 0 H ASN A 36 20.726 8.278 -11.723 1.00 0.00 H new ATOM 0 HA ASN A 36 20.044 10.453 -13.669 1.00 0.00 H new ATOM 0 HB2 ASN A 36 22.179 8.419 -13.835 1.00 0.00 H new ATOM 0 HB3 ASN A 36 21.056 8.305 -15.175 1.00 0.00 H new ATOM 0 HD21 ASN A 36 23.749 11.324 -15.180 1.00 0.00 H new ATOM 0 HD22 ASN A 36 23.843 9.915 -14.118 1.00 0.00 H new ATOM 466 N ASN A 37 18.755 8.293 -15.001 1.00 0.00 N ATOM 467 CA ASN A 37 17.568 7.451 -15.331 1.00 0.00 C ATOM 468 C ASN A 37 16.288 8.118 -14.821 1.00 0.00 C ATOM 469 O ASN A 37 15.907 7.962 -13.678 1.00 0.00 O ATOM 470 CB ASN A 37 17.720 6.080 -14.672 1.00 0.00 C ATOM 471 CG ASN A 37 19.153 5.577 -14.864 1.00 0.00 C ATOM 472 OD1 ASN A 37 20.007 5.811 -14.033 1.00 0.00 O ATOM 473 ND2 ASN A 37 19.453 4.894 -15.934 1.00 0.00 N ATOM 0 H ASN A 37 19.278 8.639 -15.806 1.00 0.00 H new ATOM 0 HA ASN A 37 17.504 7.338 -16.413 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.486 6.148 -13.609 1.00 0.00 H new ATOM 0 HB3 ASN A 37 17.014 5.374 -15.109 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.405 4.556 -16.073 1.00 0.00 H new ATOM 0 HD22 ASN A 37 18.735 4.698 -16.632 1.00 0.00 H new ATOM 480 N THR A 38 15.622 8.864 -15.662 1.00 0.00 N ATOM 481 CA THR A 38 14.368 9.539 -15.227 1.00 0.00 C ATOM 482 C THR A 38 13.176 8.619 -15.508 1.00 0.00 C ATOM 483 O THR A 38 12.178 8.650 -14.817 1.00 0.00 O ATOM 484 CB THR A 38 14.196 10.850 -15.999 1.00 0.00 C ATOM 485 OG1 THR A 38 13.114 11.584 -15.443 1.00 0.00 O ATOM 486 CG2 THR A 38 13.908 10.547 -17.469 1.00 0.00 C ATOM 0 H THR A 38 15.893 9.034 -16.630 1.00 0.00 H new ATOM 0 HA THR A 38 14.421 9.754 -14.160 1.00 0.00 H new ATOM 0 HB THR A 38 15.111 11.438 -15.927 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.002 12.425 -15.934 1.00 0.00 H new ATOM 0 HG21 THR A 38 13.786 11.482 -18.016 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.739 9.984 -17.894 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.993 9.959 -17.547 1.00 0.00 H new ATOM 494 N GLU A 39 13.277 7.797 -16.518 1.00 0.00 N ATOM 495 CA GLU A 39 12.161 6.871 -16.852 1.00 0.00 C ATOM 496 C GLU A 39 11.811 6.026 -15.630 1.00 0.00 C ATOM 497 O GLU A 39 12.183 6.339 -14.520 1.00 0.00 O ATOM 498 CB GLU A 39 12.600 5.959 -17.996 1.00 0.00 C ATOM 499 CG GLU A 39 12.877 6.801 -19.242 1.00 0.00 C ATOM 500 CD GLU A 39 14.272 6.475 -19.779 1.00 0.00 C ATOM 501 OE1 GLU A 39 14.435 5.402 -20.335 1.00 0.00 O ATOM 502 OE2 GLU A 39 15.154 7.303 -19.623 1.00 0.00 O ATOM 0 H GLU A 39 14.091 7.728 -17.129 1.00 0.00 H new ATOM 0 HA GLU A 39 11.284 7.445 -17.152 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.495 5.406 -17.711 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.824 5.223 -18.207 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.126 6.598 -20.005 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.808 7.862 -19.000 1.00 0.00 H new ATOM 509 N GLY A 40 11.087 4.960 -15.829 1.00 0.00 N ATOM 510 CA GLY A 40 10.708 4.085 -14.682 1.00 0.00 C ATOM 511 C GLY A 40 11.436 2.745 -14.799 1.00 0.00 C ATOM 512 O GLY A 40 10.849 1.690 -14.663 1.00 0.00 O ATOM 0 H GLY A 40 10.740 4.655 -16.739 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.966 4.570 -13.740 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.630 3.925 -14.674 1.00 0.00 H new ATOM 516 N ASP A 41 12.712 2.783 -15.055 1.00 0.00 N ATOM 517 CA ASP A 41 13.496 1.526 -15.185 1.00 0.00 C ATOM 518 C ASP A 41 14.253 1.254 -13.878 1.00 0.00 C ATOM 519 O ASP A 41 13.662 0.959 -12.858 1.00 0.00 O ATOM 520 CB ASP A 41 14.491 1.694 -16.332 1.00 0.00 C ATOM 521 CG ASP A 41 13.736 2.004 -17.627 1.00 0.00 C ATOM 522 OD1 ASP A 41 12.990 2.970 -17.638 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.915 1.269 -18.583 1.00 0.00 O ATOM 0 H ASP A 41 13.250 3.640 -15.181 1.00 0.00 H new ATOM 0 HA ASP A 41 12.830 0.687 -15.388 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.190 2.499 -16.105 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.080 0.785 -16.452 1.00 0.00 H new ATOM 528 N TRP A 42 15.558 1.348 -13.901 1.00 0.00 N ATOM 529 CA TRP A 42 16.359 1.100 -12.673 1.00 0.00 C ATOM 530 C TRP A 42 17.387 2.219 -12.558 1.00 0.00 C ATOM 531 O TRP A 42 18.485 2.129 -13.070 1.00 0.00 O ATOM 532 CB TRP A 42 17.064 -0.251 -12.785 1.00 0.00 C ATOM 533 CG TRP A 42 16.010 -1.355 -12.863 1.00 0.00 C ATOM 534 CD1 TRP A 42 15.156 -1.531 -13.885 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.779 -2.260 -11.916 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.415 -2.570 -13.499 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.735 -3.086 -12.283 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.413 -2.445 -10.704 1.00 0.00 C ATOM 539 CZ2 TRP A 42 14.326 -4.098 -11.436 1.00 0.00 C ATOM 540 CZ3 TRP A 42 16.006 -3.457 -9.860 1.00 0.00 C ATOM 541 CH2 TRP A 42 14.962 -4.283 -10.225 1.00 0.00 C ATOM 0 H TRP A 42 16.104 1.589 -14.728 1.00 0.00 H new ATOM 0 HA TRP A 42 15.719 1.082 -11.791 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.699 -0.273 -13.671 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.713 -0.410 -11.924 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.086 -0.965 -14.802 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.663 -2.950 -14.074 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.228 -1.797 -10.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.509 -4.744 -11.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.504 -3.603 -8.913 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.643 -5.074 -9.563 1.00 0.00 H new ATOM 552 N TRP A 43 17.035 3.274 -11.887 1.00 0.00 N ATOM 553 CA TRP A 43 17.980 4.410 -11.733 1.00 0.00 C ATOM 554 C TRP A 43 19.006 4.115 -10.641 1.00 0.00 C ATOM 555 O TRP A 43 18.751 3.382 -9.704 1.00 0.00 O ATOM 556 CB TRP A 43 17.199 5.664 -11.352 1.00 0.00 C ATOM 557 CG TRP A 43 15.809 5.630 -11.990 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.493 5.032 -13.158 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.729 6.205 -11.470 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.193 5.288 -13.293 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.634 6.011 -12.286 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.600 6.914 -10.294 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.406 6.529 -11.920 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.375 7.431 -9.930 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.277 7.238 -10.744 1.00 0.00 C ATOM 0 H TRP A 43 16.129 3.400 -11.436 1.00 0.00 H new ATOM 0 HA TRP A 43 18.502 4.559 -12.678 1.00 0.00 H new ATOM 0 HB2 TRP A 43 17.109 5.731 -10.268 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.738 6.552 -11.682 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.139 4.479 -13.823 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.654 4.964 -14.096 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.460 7.064 -9.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.546 6.378 -12.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.274 7.986 -9.009 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.317 7.642 -10.460 1.00 0.00 H new ATOM 576 N LEU A 44 20.170 4.692 -10.763 1.00 0.00 N ATOM 577 CA LEU A 44 21.230 4.466 -9.747 1.00 0.00 C ATOM 578 C LEU A 44 21.097 5.528 -8.659 1.00 0.00 C ATOM 579 O LEU A 44 21.027 6.707 -8.940 1.00 0.00 O ATOM 580 CB LEU A 44 22.603 4.592 -10.406 1.00 0.00 C ATOM 581 CG LEU A 44 23.689 4.351 -9.360 1.00 0.00 C ATOM 582 CD1 LEU A 44 24.776 3.453 -9.951 1.00 0.00 C ATOM 583 CD2 LEU A 44 24.304 5.689 -8.947 1.00 0.00 C ATOM 0 H LEU A 44 20.431 5.314 -11.528 1.00 0.00 H new ATOM 0 HA LEU A 44 21.125 3.470 -9.316 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.697 3.870 -11.218 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.719 5.583 -10.845 1.00 0.00 H new ATOM 0 HG LEU A 44 23.251 3.866 -8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 44 25.551 3.281 -9.205 1.00 0.00 H new ATOM 0 HD12 LEU A 44 24.339 2.499 -10.247 1.00 0.00 H new ATOM 0 HD13 LEU A 44 25.214 3.938 -10.824 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.079 5.518 -8.200 1.00 0.00 H new ATOM 0 HD22 LEU A 44 24.741 6.173 -9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 44 23.530 6.331 -8.526 1.00 0.00 H new ATOM 595 N ALA A 45 21.061 5.130 -7.420 1.00 0.00 N ATOM 596 CA ALA A 45 20.932 6.140 -6.337 1.00 0.00 C ATOM 597 C ALA A 45 22.115 6.028 -5.375 1.00 0.00 C ATOM 598 O ALA A 45 22.395 4.976 -4.835 1.00 0.00 O ATOM 599 CB ALA A 45 19.627 5.906 -5.573 1.00 0.00 C ATOM 0 H ALA A 45 21.115 4.159 -7.112 1.00 0.00 H new ATOM 0 HA ALA A 45 20.924 7.137 -6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.532 6.647 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.783 5.998 -6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 45 19.634 4.907 -5.138 1.00 0.00 H new ATOM 605 N HIS A 46 22.812 7.109 -5.161 1.00 0.00 N ATOM 606 CA HIS A 46 23.978 7.078 -4.237 1.00 0.00 C ATOM 607 C HIS A 46 23.474 7.229 -2.798 1.00 0.00 C ATOM 608 O HIS A 46 22.833 8.203 -2.454 1.00 0.00 O ATOM 609 CB HIS A 46 24.927 8.232 -4.586 1.00 0.00 C ATOM 610 CG HIS A 46 25.865 8.514 -3.408 1.00 0.00 C ATOM 611 ND1 HIS A 46 25.609 9.140 -2.203 1.00 0.00 N flip ATOM 612 CD2 HIS A 46 27.092 8.196 -3.358 1.00 0.00 C flip ATOM 613 CE1 HIS A 46 26.729 9.171 -1.463 1.00 0.00 C flip ATOM 614 NE2 HIS A 46 27.608 8.567 -2.247 1.00 0.00 N flip ATOM 0 H HIS A 46 22.623 8.016 -5.588 1.00 0.00 H new ATOM 0 HA HIS A 46 24.513 6.134 -4.335 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.509 7.980 -5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.352 9.126 -4.826 1.00 0.00 H new ATOM 0 HD2 HIS A 46 27.627 7.683 -4.144 1.00 0.00 H new ATOM 0 HE1 HIS A 46 26.876 9.585 -0.476 1.00 0.00 H new ATOM 0 HE2 HIS A 46 28.585 8.415 -1.995 1.00 0.00 H new ATOM 622 N SER A 47 23.752 6.271 -1.958 1.00 0.00 N ATOM 623 CA SER A 47 23.288 6.362 -0.545 1.00 0.00 C ATOM 624 C SER A 47 24.090 7.439 0.186 1.00 0.00 C ATOM 625 O SER A 47 25.302 7.379 0.264 1.00 0.00 O ATOM 626 CB SER A 47 23.495 5.015 0.149 1.00 0.00 C ATOM 627 OG SER A 47 22.647 4.042 -0.443 1.00 0.00 O ATOM 0 H SER A 47 24.280 5.429 -2.189 1.00 0.00 H new ATOM 0 HA SER A 47 22.229 6.621 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.537 4.706 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.276 5.105 1.213 1.00 0.00 H new ATOM 0 HG SER A 47 22.781 3.178 0.000 1.00 0.00 H new ATOM 633 N LEU A 48 23.425 8.423 0.723 1.00 0.00 N ATOM 634 CA LEU A 48 24.151 9.502 1.448 1.00 0.00 C ATOM 635 C LEU A 48 24.561 9.000 2.834 1.00 0.00 C ATOM 636 O LEU A 48 25.139 9.723 3.621 1.00 0.00 O ATOM 637 CB LEU A 48 23.240 10.722 1.592 1.00 0.00 C ATOM 638 CG LEU A 48 23.034 11.362 0.218 1.00 0.00 C ATOM 639 CD1 LEU A 48 21.907 12.392 0.297 1.00 0.00 C ATOM 640 CD2 LEU A 48 24.328 12.052 -0.222 1.00 0.00 C ATOM 0 H LEU A 48 22.411 8.527 0.691 1.00 0.00 H new ATOM 0 HA LEU A 48 25.043 9.781 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.280 10.426 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 48 23.683 11.443 2.279 1.00 0.00 H new ATOM 0 HG LEU A 48 22.769 10.591 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 48 21.761 12.847 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 48 20.986 11.900 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 48 22.170 13.164 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.182 12.508 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 48 24.594 12.823 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.131 11.317 -0.280 1.00 0.00 H new ATOM 652 N THR A 49 24.267 7.765 3.140 1.00 0.00 N ATOM 653 CA THR A 49 24.640 7.218 4.475 1.00 0.00 C ATOM 654 C THR A 49 25.994 6.512 4.369 1.00 0.00 C ATOM 655 O THR A 49 26.920 6.813 5.096 1.00 0.00 O ATOM 656 CB THR A 49 23.575 6.218 4.931 1.00 0.00 C ATOM 657 OG1 THR A 49 22.291 6.817 4.823 1.00 0.00 O ATOM 658 CG2 THR A 49 23.834 5.819 6.384 1.00 0.00 C ATOM 0 H THR A 49 23.785 7.112 2.523 1.00 0.00 H new ATOM 0 HA THR A 49 24.707 8.030 5.199 1.00 0.00 H new ATOM 0 HB THR A 49 23.617 5.329 4.302 1.00 0.00 H new ATOM 0 HG1 THR A 49 21.607 6.178 5.113 1.00 0.00 H new ATOM 0 HG21 THR A 49 23.074 5.107 6.707 1.00 0.00 H new ATOM 0 HG22 THR A 49 24.819 5.360 6.465 1.00 0.00 H new ATOM 0 HG23 THR A 49 23.793 6.705 7.017 1.00 0.00 H new ATOM 666 N THR A 50 26.116 5.575 3.469 1.00 0.00 N ATOM 667 CA THR A 50 27.410 4.851 3.316 1.00 0.00 C ATOM 668 C THR A 50 28.288 5.585 2.300 1.00 0.00 C ATOM 669 O THR A 50 29.498 5.613 2.416 1.00 0.00 O ATOM 670 CB THR A 50 27.147 3.422 2.830 1.00 0.00 C ATOM 671 OG1 THR A 50 28.348 2.876 2.303 1.00 0.00 O ATOM 672 CG2 THR A 50 26.072 3.438 1.742 1.00 0.00 C ATOM 0 H THR A 50 25.376 5.279 2.833 1.00 0.00 H new ATOM 0 HA THR A 50 27.921 4.815 4.278 1.00 0.00 H new ATOM 0 HB THR A 50 26.804 2.812 3.665 1.00 0.00 H new ATOM 0 HG1 THR A 50 28.273 1.900 2.261 1.00 0.00 H new ATOM 0 HG21 THR A 50 25.887 2.420 1.398 1.00 0.00 H new ATOM 0 HG22 THR A 50 25.151 3.857 2.147 1.00 0.00 H new ATOM 0 HG23 THR A 50 26.411 4.048 0.905 1.00 0.00 H new ATOM 680 N GLY A 51 27.691 6.180 1.304 1.00 0.00 N ATOM 681 CA GLY A 51 28.492 6.912 0.283 1.00 0.00 C ATOM 682 C GLY A 51 28.730 6.011 -0.932 1.00 0.00 C ATOM 683 O GLY A 51 29.325 6.418 -1.910 1.00 0.00 O ATOM 0 H GLY A 51 26.682 6.191 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 51 27.969 7.818 -0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 51 29.446 7.222 0.710 1.00 0.00 H new ATOM 687 N GLN A 52 28.273 4.790 -0.879 1.00 0.00 N ATOM 688 CA GLN A 52 28.477 3.870 -2.033 1.00 0.00 C ATOM 689 C GLN A 52 27.299 3.993 -3.001 1.00 0.00 C ATOM 690 O GLN A 52 26.361 4.728 -2.763 1.00 0.00 O ATOM 691 CB GLN A 52 28.568 2.429 -1.527 1.00 0.00 C ATOM 692 CG GLN A 52 29.698 2.319 -0.503 1.00 0.00 C ATOM 693 CD GLN A 52 30.440 0.996 -0.708 1.00 0.00 C ATOM 694 OE1 GLN A 52 30.151 0.017 -0.049 1.00 0.00 O ATOM 695 NE2 GLN A 52 31.389 0.924 -1.601 1.00 0.00 N ATOM 0 H GLN A 52 27.768 4.390 -0.088 1.00 0.00 H new ATOM 0 HA GLN A 52 29.400 4.136 -2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 52 27.622 2.131 -1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.751 1.750 -2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 52 30.387 3.156 -0.613 1.00 0.00 H new ATOM 0 HG3 GLN A 52 29.294 2.370 0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 52 31.632 1.746 -2.154 1.00 0.00 H new ATOM 0 HE22 GLN A 52 31.888 0.046 -1.746 1.00 0.00 H new ATOM 704 N THR A 53 27.339 3.277 -4.092 1.00 0.00 N ATOM 705 CA THR A 53 26.222 3.354 -5.074 1.00 0.00 C ATOM 706 C THR A 53 25.060 2.487 -4.581 1.00 0.00 C ATOM 707 O THR A 53 25.228 1.638 -3.727 1.00 0.00 O ATOM 708 CB THR A 53 26.707 2.843 -6.435 1.00 0.00 C ATOM 709 OG1 THR A 53 27.543 3.823 -7.037 1.00 0.00 O ATOM 710 CG2 THR A 53 25.508 2.567 -7.343 1.00 0.00 C ATOM 0 H THR A 53 28.097 2.643 -4.345 1.00 0.00 H new ATOM 0 HA THR A 53 25.888 4.387 -5.175 1.00 0.00 H new ATOM 0 HB THR A 53 27.269 1.920 -6.293 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.855 3.497 -7.907 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.859 2.204 -8.309 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.869 1.814 -6.883 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.940 3.486 -7.485 1.00 0.00 H new ATOM 718 N GLY A 54 23.884 2.690 -5.107 1.00 0.00 N ATOM 719 CA GLY A 54 22.723 1.871 -4.659 1.00 0.00 C ATOM 720 C GLY A 54 21.653 1.840 -5.752 1.00 0.00 C ATOM 721 O GLY A 54 20.761 2.663 -5.785 1.00 0.00 O ATOM 0 H GLY A 54 23.677 3.385 -5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.050 0.857 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.306 2.287 -3.742 1.00 0.00 H new ATOM 725 N TYR A 55 21.735 0.894 -6.647 1.00 0.00 N ATOM 726 CA TYR A 55 20.722 0.810 -7.736 1.00 0.00 C ATOM 727 C TYR A 55 19.346 0.542 -7.121 1.00 0.00 C ATOM 728 O TYR A 55 19.084 -0.526 -6.605 1.00 0.00 O ATOM 729 CB TYR A 55 21.088 -0.338 -8.680 1.00 0.00 C ATOM 730 CG TYR A 55 21.365 0.211 -10.082 1.00 0.00 C ATOM 731 CD1 TYR A 55 22.408 1.089 -10.299 1.00 0.00 C ATOM 732 CD2 TYR A 55 20.587 -0.181 -11.154 1.00 0.00 C ATOM 733 CE1 TYR A 55 22.669 1.566 -11.568 1.00 0.00 C ATOM 734 CE2 TYR A 55 20.849 0.298 -12.422 1.00 0.00 C ATOM 735 CZ TYR A 55 21.891 1.174 -12.638 1.00 0.00 C ATOM 736 OH TYR A 55 22.153 1.652 -13.907 1.00 0.00 O ATOM 0 H TYR A 55 22.459 0.176 -6.671 1.00 0.00 H new ATOM 0 HA TYR A 55 20.700 1.747 -8.293 1.00 0.00 H new ATOM 0 HB2 TYR A 55 21.967 -0.863 -8.305 1.00 0.00 H new ATOM 0 HB3 TYR A 55 20.275 -1.063 -8.718 1.00 0.00 H new ATOM 0 HD1 TYR A 55 23.024 1.405 -9.470 1.00 0.00 H new ATOM 0 HD2 TYR A 55 19.768 -0.867 -10.999 1.00 0.00 H new ATOM 0 HE1 TYR A 55 23.489 2.252 -11.724 1.00 0.00 H new ATOM 0 HE2 TYR A 55 20.233 -0.016 -13.251 1.00 0.00 H new ATOM 0 HH TYR A 55 21.508 1.272 -14.539 1.00 0.00 H new ATOM 746 N ILE A 56 18.463 1.502 -7.171 1.00 0.00 N ATOM 747 CA ILE A 56 17.107 1.293 -6.587 1.00 0.00 C ATOM 748 C ILE A 56 16.067 1.334 -7.716 1.00 0.00 C ATOM 749 O ILE A 56 15.905 2.349 -8.362 1.00 0.00 O ATOM 750 CB ILE A 56 16.816 2.404 -5.570 1.00 0.00 C ATOM 751 CG1 ILE A 56 16.815 3.759 -6.279 1.00 0.00 C ATOM 752 CG2 ILE A 56 17.906 2.402 -4.495 1.00 0.00 C ATOM 753 CD1 ILE A 56 15.395 4.321 -6.306 1.00 0.00 C ATOM 0 H ILE A 56 18.621 2.419 -7.589 1.00 0.00 H new ATOM 0 HA ILE A 56 17.061 0.327 -6.084 1.00 0.00 H new ATOM 0 HB ILE A 56 15.842 2.231 -5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 56 17.481 4.451 -5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 56 17.193 3.649 -7.295 1.00 0.00 H new ATOM 0 HG21 ILE A 56 17.703 3.190 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 56 17.916 1.437 -3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 56 18.876 2.578 -4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 56 15.395 5.287 -6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.741 3.632 -6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.034 4.446 -5.285 1.00 0.00 H new ATOM 765 N PRO A 57 15.391 0.228 -7.925 1.00 0.00 N ATOM 766 CA PRO A 57 14.365 0.127 -8.977 1.00 0.00 C ATOM 767 C PRO A 57 13.376 1.294 -8.883 1.00 0.00 C ATOM 768 O PRO A 57 13.021 1.741 -7.810 1.00 0.00 O ATOM 769 CB PRO A 57 13.669 -1.218 -8.719 1.00 0.00 C ATOM 770 CG PRO A 57 14.432 -1.926 -7.567 1.00 0.00 C ATOM 771 CD PRO A 57 15.570 -0.995 -7.118 1.00 0.00 C ATOM 0 HA PRO A 57 14.792 0.175 -9.979 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.624 -1.063 -8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.678 -1.833 -9.619 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.759 -2.136 -6.735 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.831 -2.883 -7.904 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.508 -0.779 -6.051 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.546 -1.448 -7.295 1.00 0.00 H new ATOM 779 N SER A 58 12.933 1.790 -10.008 1.00 0.00 N ATOM 780 CA SER A 58 11.970 2.929 -10.008 1.00 0.00 C ATOM 781 C SER A 58 10.667 2.512 -9.323 1.00 0.00 C ATOM 782 O SER A 58 9.890 3.342 -8.894 1.00 0.00 O ATOM 783 CB SER A 58 11.674 3.340 -11.451 1.00 0.00 C ATOM 784 OG SER A 58 10.520 2.653 -11.913 1.00 0.00 O ATOM 0 H SER A 58 13.199 1.452 -10.933 1.00 0.00 H new ATOM 0 HA SER A 58 12.407 3.768 -9.466 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.516 4.417 -11.508 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.527 3.109 -12.088 1.00 0.00 H new ATOM 0 HG SER A 58 9.830 3.303 -12.162 1.00 0.00 H new ATOM 790 N ASN A 59 10.419 1.236 -9.216 1.00 0.00 N ATOM 791 CA ASN A 59 9.164 0.778 -8.557 1.00 0.00 C ATOM 792 C ASN A 59 9.384 0.693 -7.045 1.00 0.00 C ATOM 793 O ASN A 59 8.622 0.072 -6.331 1.00 0.00 O ATOM 794 CB ASN A 59 8.778 -0.603 -9.093 1.00 0.00 C ATOM 795 CG ASN A 59 8.466 -0.502 -10.587 1.00 0.00 C ATOM 796 OD1 ASN A 59 9.362 -0.399 -11.401 1.00 0.00 O ATOM 797 ND2 ASN A 59 7.223 -0.532 -10.985 1.00 0.00 N ATOM 0 H ASN A 59 11.029 0.492 -9.555 1.00 0.00 H new ATOM 0 HA ASN A 59 8.364 1.487 -8.770 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.592 -1.309 -8.928 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.910 -0.984 -8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.004 -0.469 -11.979 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.471 -0.618 -10.302 1.00 0.00 H new ATOM 804 N TYR A 60 10.421 1.314 -6.550 1.00 0.00 N ATOM 805 CA TYR A 60 10.683 1.264 -5.086 1.00 0.00 C ATOM 806 C TYR A 60 10.992 2.666 -4.563 1.00 0.00 C ATOM 807 O TYR A 60 11.260 2.845 -3.390 1.00 0.00 O ATOM 808 CB TYR A 60 11.875 0.347 -4.817 1.00 0.00 C ATOM 809 CG TYR A 60 11.403 -1.106 -4.825 1.00 0.00 C ATOM 810 CD1 TYR A 60 11.111 -1.743 -6.013 1.00 0.00 C ATOM 811 CD2 TYR A 60 11.240 -1.792 -3.643 1.00 0.00 C ATOM 812 CE1 TYR A 60 10.664 -3.048 -6.017 1.00 0.00 C ATOM 813 CE2 TYR A 60 10.791 -3.095 -3.643 1.00 0.00 C ATOM 814 CZ TYR A 60 10.499 -3.734 -4.831 1.00 0.00 C ATOM 815 OH TYR A 60 10.051 -5.039 -4.833 1.00 0.00 O ATOM 0 H TYR A 60 11.095 1.851 -7.095 1.00 0.00 H new ATOM 0 HA TYR A 60 9.800 0.880 -4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.643 0.497 -5.576 1.00 0.00 H new ATOM 0 HB3 TYR A 60 12.326 0.590 -3.855 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.233 -1.216 -6.948 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.466 -1.304 -2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.442 -3.536 -6.954 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.667 -3.620 -2.707 1.00 0.00 H new ATOM 0 HH TYR A 60 9.994 -5.367 -3.911 1.00 0.00 H new ATOM 825 N VAL A 61 10.949 3.656 -5.419 1.00 0.00 N ATOM 826 CA VAL A 61 11.240 5.050 -4.975 1.00 0.00 C ATOM 827 C VAL A 61 10.172 5.994 -5.530 1.00 0.00 C ATOM 828 O VAL A 61 9.398 5.635 -6.394 1.00 0.00 O ATOM 829 CB VAL A 61 12.617 5.476 -5.492 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.764 5.054 -6.955 1.00 0.00 C ATOM 831 CG2 VAL A 61 12.777 6.994 -5.388 1.00 0.00 C ATOM 0 H VAL A 61 10.724 3.557 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 61 11.234 5.093 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 61 13.385 4.994 -4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.744 5.357 -7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.665 3.971 -7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.988 5.533 -7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.760 7.282 -5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.007 7.483 -5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.678 7.300 -4.346 1.00 0.00 H new ATOM 841 N ALA A 62 10.127 7.201 -5.039 1.00 0.00 N ATOM 842 CA ALA A 62 9.110 8.171 -5.537 1.00 0.00 C ATOM 843 C ALA A 62 9.425 9.572 -4.991 1.00 0.00 C ATOM 844 O ALA A 62 9.778 9.716 -3.838 1.00 0.00 O ATOM 845 CB ALA A 62 7.720 7.742 -5.061 1.00 0.00 C ATOM 0 H ALA A 62 10.750 7.558 -4.315 1.00 0.00 H new ATOM 0 HA ALA A 62 9.133 8.192 -6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.976 8.451 -5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.494 6.748 -5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.699 7.721 -3.971 1.00 0.00 H new ATOM 851 N PRO A 63 9.288 10.566 -5.838 1.00 0.00 N ATOM 852 CA PRO A 63 9.555 11.964 -5.455 1.00 0.00 C ATOM 853 C PRO A 63 8.586 12.405 -4.353 1.00 0.00 C ATOM 854 O PRO A 63 7.388 12.438 -4.546 1.00 0.00 O ATOM 855 CB PRO A 63 9.319 12.777 -6.736 1.00 0.00 C ATOM 856 CG PRO A 63 8.898 11.786 -7.852 1.00 0.00 C ATOM 857 CD PRO A 63 8.866 10.377 -7.239 1.00 0.00 C ATOM 0 HA PRO A 63 10.563 12.101 -5.064 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.543 13.526 -6.576 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.224 13.312 -7.022 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.919 12.052 -8.250 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.602 11.825 -8.684 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.868 9.943 -7.296 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.538 9.701 -7.767 1.00 0.00 H new ATOM 865 N SER A 64 9.097 12.744 -3.202 1.00 0.00 N ATOM 866 CA SER A 64 8.204 13.182 -2.091 1.00 0.00 C ATOM 867 C SER A 64 7.141 12.110 -1.839 1.00 0.00 C ATOM 868 O SER A 64 7.414 10.955 -2.124 1.00 0.00 O ATOM 869 CB SER A 64 7.520 14.496 -2.474 1.00 0.00 C ATOM 870 OG SER A 64 8.478 15.385 -3.030 1.00 0.00 O ATOM 871 OXT SER A 64 6.073 12.462 -1.366 1.00 0.00 O ATOM 0 H SER A 64 10.093 12.737 -2.982 1.00 0.00 H new ATOM 0 HA SER A 64 8.795 13.329 -1.187 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.723 14.307 -3.193 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.057 14.946 -1.596 1.00 0.00 H new ATOM 0 HG SER A 64 8.039 16.226 -3.277 1.00 0.00 H new TER 877 SER A 64