USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 520 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 TYR OH : rot 180:sc= 0.0212 USER MOD Set 1.2: A 53 THR OG1 : rot -105:sc= 1.57 USER MOD Set 2.1: A 14 GLN : amide:sc= -0.121! K(o=1.2!,f=-0.11) USER MOD Set 2.2: A 63 TYR OH : rot 3:sc= 1.31 USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.11 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 81:sc= 0.00897 USER MOD Single : A 19 THR OG1 : rot -100:sc= -1.03 USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.0413 F(o=-0.86,f=-0.041) USER MOD Single : A 23 ASN : amide:sc= -7.84! C(o=-7.8!,f=-7.7!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0775 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.629 USER MOD Single : A 35 TYR OH : rot 130:sc= -1.11 USER MOD Single : A 36 THR OG1 : rot 57:sc= -1.48! USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.238 K(o=0.24,f=-2.1!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 62 ASN : amide:sc= -5.15! C(o=-5.1!,f=-7.8!) USER MOD Single : A 65 THR OG1 : rot -32:sc= 0.0929 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.421 USER MOD Single : A 74 THR OG1 : rot -130:sc= 0.955 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.869 6.365 15.293 1.00 10.00 N ATOM 2 CA ALA A 1 5.660 7.798 15.586 1.00 10.00 C ATOM 3 C ALA A 1 4.438 8.315 14.844 1.00 10.00 C ATOM 4 O ALA A 1 3.887 7.621 13.987 1.00 10.00 O ATOM 5 CB ALA A 1 6.889 8.606 15.196 1.00 10.00 C ATOM 0 H1 ALA A 1 5.640 5.801 16.137 1.00 10.00 H new ATOM 0 H2 ALA A 1 5.252 6.078 14.507 1.00 10.00 H new ATOM 0 H3 ALA A 1 6.862 6.206 15.029 1.00 10.00 H new ATOM 0 HA ALA A 1 5.495 7.910 16.658 1.00 10.00 H new ATOM 0 HB1 ALA A 1 6.718 9.659 15.419 1.00 10.00 H new ATOM 0 HB2 ALA A 1 7.752 8.251 15.760 1.00 10.00 H new ATOM 0 HB3 ALA A 1 7.079 8.487 14.129 1.00 10.00 H new ATOM 13 N THR A 2 4.007 9.525 15.179 1.00 10.00 N ATOM 14 CA THR A 2 2.901 10.163 14.481 1.00 10.00 C ATOM 15 C THR A 2 3.352 10.661 13.099 1.00 10.00 C ATOM 16 O THR A 2 3.657 11.840 12.896 1.00 10.00 O ATOM 17 CB THR A 2 2.278 11.307 15.324 1.00 10.00 C ATOM 18 OG1 THR A 2 1.284 12.017 14.573 1.00 10.00 O ATOM 19 CG2 THR A 2 3.338 12.282 15.825 1.00 10.00 C ATOM 0 H THR A 2 4.409 10.084 15.932 1.00 10.00 H new ATOM 0 HA THR A 2 2.120 9.417 14.333 1.00 10.00 H new ATOM 0 HB THR A 2 1.805 10.842 16.189 1.00 10.00 H new ATOM 0 HG1 THR A 2 0.905 12.732 15.126 1.00 10.00 H new ATOM 0 HG21 THR A 2 2.862 13.068 16.411 1.00 10.00 H new ATOM 0 HG22 THR A 2 4.056 11.750 16.448 1.00 10.00 H new ATOM 0 HG23 THR A 2 3.855 12.726 14.974 1.00 10.00 H new ATOM 27 N GLY A 3 3.429 9.725 12.164 1.00 10.00 N ATOM 28 CA GLY A 3 3.893 10.026 10.830 1.00 10.00 C ATOM 29 C GLY A 3 4.983 9.066 10.409 1.00 10.00 C ATOM 30 O GLY A 3 5.331 8.160 11.168 1.00 10.00 O ATOM 0 H GLY A 3 3.173 8.749 12.312 1.00 10.00 H new ATOM 0 HA2 GLY A 3 3.060 9.967 10.129 1.00 10.00 H new ATOM 0 HA3 GLY A 3 4.269 11.048 10.793 1.00 10.00 H new ATOM 34 N SER A 4 5.510 9.260 9.207 1.00 10.00 N ATOM 35 CA SER A 4 6.581 8.420 8.670 1.00 10.00 C ATOM 36 C SER A 4 6.167 6.943 8.608 1.00 10.00 C ATOM 37 O SER A 4 6.563 6.134 9.449 1.00 10.00 O ATOM 38 CB SER A 4 7.857 8.583 9.503 1.00 10.00 C ATOM 39 OG SER A 4 8.233 9.948 9.597 1.00 10.00 O ATOM 0 H SER A 4 5.210 10.002 8.575 1.00 10.00 H new ATOM 0 HA SER A 4 6.779 8.750 7.650 1.00 10.00 H new ATOM 0 HB2 SER A 4 7.698 8.177 10.502 1.00 10.00 H new ATOM 0 HB3 SER A 4 8.666 8.010 9.051 1.00 10.00 H new ATOM 0 HG SER A 4 9.049 10.026 10.135 1.00 10.00 H new ATOM 45 N PRO A 5 5.346 6.580 7.615 1.00 10.00 N ATOM 46 CA PRO A 5 4.883 5.217 7.436 1.00 10.00 C ATOM 47 C PRO A 5 5.795 4.400 6.524 1.00 10.00 C ATOM 48 O PRO A 5 5.923 4.699 5.336 1.00 10.00 O ATOM 49 CB PRO A 5 3.509 5.414 6.799 1.00 10.00 C ATOM 50 CG PRO A 5 3.584 6.725 6.069 1.00 10.00 C ATOM 51 CD PRO A 5 4.785 7.476 6.595 1.00 10.00 C ATOM 0 HA PRO A 5 4.865 4.657 8.371 1.00 10.00 H new ATOM 0 HB2 PRO A 5 3.274 4.598 6.116 1.00 10.00 H new ATOM 0 HB3 PRO A 5 2.725 5.432 7.556 1.00 10.00 H new ATOM 0 HG2 PRO A 5 3.676 6.560 4.995 1.00 10.00 H new ATOM 0 HG3 PRO A 5 2.673 7.303 6.226 1.00 10.00 H new ATOM 0 HD2 PRO A 5 5.506 7.681 5.803 1.00 10.00 H new ATOM 0 HD3 PRO A 5 4.499 8.437 7.022 1.00 10.00 H new ATOM 59 N VAL A 6 6.418 3.364 7.110 1.00 10.00 N ATOM 60 CA VAL A 6 7.338 2.422 6.425 1.00 10.00 C ATOM 61 C VAL A 6 8.618 3.119 5.942 1.00 10.00 C ATOM 62 O VAL A 6 9.734 2.672 6.221 1.00 10.00 O ATOM 63 CB VAL A 6 6.685 1.613 5.238 1.00 10.00 C ATOM 64 CG1 VAL A 6 5.179 1.799 5.148 1.00 10.00 C ATOM 65 CG2 VAL A 6 7.327 1.925 3.895 1.00 10.00 C ATOM 0 H VAL A 6 6.297 3.147 8.099 1.00 10.00 H new ATOM 0 HA VAL A 6 7.592 1.691 7.193 1.00 10.00 H new ATOM 0 HB VAL A 6 6.878 0.567 5.475 1.00 10.00 H new ATOM 0 HG11 VAL A 6 4.790 1.217 4.312 1.00 10.00 H new ATOM 0 HG12 VAL A 6 4.714 1.460 6.074 1.00 10.00 H new ATOM 0 HG13 VAL A 6 4.951 2.854 4.993 1.00 10.00 H new ATOM 0 HG21 VAL A 6 6.839 1.341 3.114 1.00 10.00 H new ATOM 0 HG22 VAL A 6 7.216 2.987 3.677 1.00 10.00 H new ATOM 0 HG23 VAL A 6 8.386 1.671 3.930 1.00 10.00 H new ATOM 75 N ALA A 7 8.431 4.229 5.266 1.00 10.00 N ATOM 76 CA ALA A 7 9.473 4.951 4.590 1.00 10.00 C ATOM 77 C ALA A 7 8.836 6.215 4.067 1.00 10.00 C ATOM 78 O ALA A 7 7.943 6.167 3.226 1.00 10.00 O ATOM 79 CB ALA A 7 10.067 4.109 3.463 1.00 10.00 C ATOM 0 H ALA A 7 7.514 4.666 5.171 1.00 10.00 H new ATOM 0 HA ALA A 7 10.300 5.187 5.260 1.00 10.00 H new ATOM 0 HB1 ALA A 7 10.854 4.673 2.963 1.00 10.00 H new ATOM 0 HB2 ALA A 7 10.485 3.191 3.876 1.00 10.00 H new ATOM 0 HB3 ALA A 7 9.286 3.861 2.744 1.00 10.00 H new ATOM 85 N GLU A 8 9.279 7.331 4.599 1.00 10.00 N ATOM 86 CA GLU A 8 8.592 8.615 4.438 1.00 10.00 C ATOM 87 C GLU A 8 8.428 9.007 2.972 1.00 10.00 C ATOM 88 O GLU A 8 7.655 9.907 2.642 1.00 10.00 O ATOM 89 CB GLU A 8 9.339 9.733 5.180 1.00 10.00 C ATOM 90 CG GLU A 8 9.793 9.381 6.587 1.00 10.00 C ATOM 91 CD GLU A 8 11.111 8.623 6.626 1.00 10.00 C ATOM 92 OE1 GLU A 8 11.088 7.389 6.435 1.00 10.00 O ATOM 93 OE2 GLU A 8 12.169 9.247 6.850 1.00 10.00 O ATOM 0 H GLU A 8 10.129 7.386 5.160 1.00 10.00 H new ATOM 0 HA GLU A 8 7.599 8.488 4.868 1.00 10.00 H new ATOM 0 HB2 GLU A 8 10.213 10.017 4.593 1.00 10.00 H new ATOM 0 HB3 GLU A 8 8.692 10.609 5.232 1.00 10.00 H new ATOM 0 HG2 GLU A 8 9.893 10.298 7.168 1.00 10.00 H new ATOM 0 HG3 GLU A 8 9.022 8.780 7.069 1.00 10.00 H new ATOM 100 N CYS A 9 9.153 8.328 2.099 1.00 10.00 N ATOM 101 CA CYS A 9 9.157 8.666 0.689 1.00 10.00 C ATOM 102 C CYS A 9 8.020 7.981 -0.072 1.00 10.00 C ATOM 103 O CYS A 9 7.721 8.355 -1.204 1.00 10.00 O ATOM 104 CB CYS A 9 10.490 8.265 0.074 1.00 10.00 C ATOM 105 SG CYS A 9 11.948 8.742 1.049 1.00 10.00 S ATOM 0 H CYS A 9 9.748 7.537 2.345 1.00 10.00 H new ATOM 0 HA CYS A 9 9.009 9.743 0.608 1.00 10.00 H new ATOM 0 HB2 CYS A 9 10.500 7.184 -0.065 1.00 10.00 H new ATOM 0 HB3 CYS A 9 10.568 8.715 -0.916 1.00 10.00 H new ATOM 110 N VAL A 10 7.400 6.965 0.523 1.00 10.00 N ATOM 111 CA VAL A 10 6.311 6.263 -0.158 1.00 10.00 C ATOM 112 C VAL A 10 4.983 6.918 0.220 1.00 10.00 C ATOM 113 O VAL A 10 4.725 7.186 1.395 1.00 10.00 O ATOM 114 CB VAL A 10 6.284 4.725 0.135 1.00 10.00 C ATOM 115 CG1 VAL A 10 7.477 4.290 0.960 1.00 10.00 C ATOM 116 CG2 VAL A 10 4.984 4.273 0.799 1.00 10.00 C ATOM 0 H VAL A 10 7.625 6.614 1.454 1.00 10.00 H new ATOM 0 HA VAL A 10 6.481 6.351 -1.231 1.00 10.00 H new ATOM 0 HB VAL A 10 6.340 4.235 -0.837 1.00 10.00 H new ATOM 0 HG11 VAL A 10 7.422 3.217 1.142 1.00 10.00 H new ATOM 0 HG12 VAL A 10 8.396 4.520 0.420 1.00 10.00 H new ATOM 0 HG13 VAL A 10 7.473 4.820 1.912 1.00 10.00 H new ATOM 0 HG21 VAL A 10 5.022 3.199 0.978 1.00 10.00 H new ATOM 0 HG22 VAL A 10 4.859 4.795 1.748 1.00 10.00 H new ATOM 0 HG23 VAL A 10 4.143 4.502 0.145 1.00 10.00 H new ATOM 126 N GLU A 11 4.161 7.211 -0.774 1.00 10.00 N ATOM 127 CA GLU A 11 2.913 7.915 -0.535 1.00 10.00 C ATOM 128 C GLU A 11 1.787 7.294 -1.348 1.00 10.00 C ATOM 129 O GLU A 11 1.900 7.171 -2.565 1.00 10.00 O ATOM 130 CB GLU A 11 3.067 9.396 -0.901 1.00 10.00 C ATOM 131 CG GLU A 11 1.790 10.203 -0.748 1.00 10.00 C ATOM 132 CD GLU A 11 1.969 11.652 -1.153 1.00 10.00 C ATOM 133 OE1 GLU A 11 1.856 11.956 -2.358 1.00 10.00 O ATOM 134 OE2 GLU A 11 2.228 12.495 -0.270 1.00 10.00 O ATOM 0 H GLU A 11 4.335 6.973 -1.751 1.00 10.00 H new ATOM 0 HA GLU A 11 2.665 7.833 0.523 1.00 10.00 H new ATOM 0 HB2 GLU A 11 3.841 9.837 -0.273 1.00 10.00 H new ATOM 0 HB3 GLU A 11 3.412 9.471 -1.932 1.00 10.00 H new ATOM 0 HG2 GLU A 11 1.005 9.753 -1.356 1.00 10.00 H new ATOM 0 HG3 GLU A 11 1.457 10.157 0.289 1.00 10.00 H new ATOM 141 N TYR A 12 0.719 6.874 -0.680 1.00 10.00 N ATOM 142 CA TYR A 12 -0.422 6.303 -1.381 1.00 10.00 C ATOM 143 C TYR A 12 -1.502 7.333 -1.678 1.00 10.00 C ATOM 144 O TYR A 12 -1.575 8.395 -1.056 1.00 10.00 O ATOM 145 CB TYR A 12 -1.022 5.097 -0.635 1.00 10.00 C ATOM 146 CG TYR A 12 -1.452 5.322 0.805 1.00 10.00 C ATOM 147 CD1 TYR A 12 -1.815 6.573 1.294 1.00 10.00 C ATOM 148 CD2 TYR A 12 -1.495 4.249 1.680 1.00 10.00 C ATOM 149 CE1 TYR A 12 -2.203 6.741 2.612 1.00 10.00 C ATOM 150 CE2 TYR A 12 -1.879 4.405 2.993 1.00 10.00 C ATOM 151 CZ TYR A 12 -2.232 5.653 3.458 1.00 10.00 C ATOM 152 OH TYR A 12 -2.615 5.814 4.770 1.00 10.00 O ATOM 0 H TYR A 12 0.620 6.917 0.334 1.00 10.00 H new ATOM 0 HA TYR A 12 -0.031 5.949 -2.335 1.00 10.00 H new ATOM 0 HB2 TYR A 12 -1.888 4.748 -1.197 1.00 10.00 H new ATOM 0 HB3 TYR A 12 -0.288 4.291 -0.648 1.00 10.00 H new ATOM 0 HD1 TYR A 12 -1.794 7.428 0.634 1.00 10.00 H new ATOM 0 HD2 TYR A 12 -1.221 3.267 1.324 1.00 10.00 H new ATOM 0 HE1 TYR A 12 -2.481 7.719 2.976 1.00 10.00 H new ATOM 0 HE2 TYR A 12 -1.903 3.553 3.656 1.00 10.00 H new ATOM 0 HH TYR A 12 -2.582 4.949 5.229 1.00 10.00 H new ATOM 162 N PHE A 13 -2.320 6.996 -2.652 1.00 10.00 N ATOM 163 CA PHE A 13 -3.508 7.748 -2.984 1.00 10.00 C ATOM 164 C PHE A 13 -4.605 6.744 -3.297 1.00 10.00 C ATOM 165 O PHE A 13 -4.322 5.557 -3.472 1.00 10.00 O ATOM 166 CB PHE A 13 -3.241 8.678 -4.177 1.00 10.00 C ATOM 167 CG PHE A 13 -4.411 9.541 -4.565 1.00 10.00 C ATOM 168 CD1 PHE A 13 -4.817 10.582 -3.746 1.00 10.00 C ATOM 169 CD2 PHE A 13 -5.103 9.308 -5.742 1.00 10.00 C ATOM 170 CE1 PHE A 13 -5.886 11.381 -4.097 1.00 10.00 C ATOM 171 CE2 PHE A 13 -6.175 10.103 -6.099 1.00 10.00 C ATOM 172 CZ PHE A 13 -6.572 11.129 -5.287 1.00 10.00 C ATOM 0 H PHE A 13 -2.175 6.178 -3.244 1.00 10.00 H new ATOM 0 HA PHE A 13 -3.811 8.384 -2.152 1.00 10.00 H new ATOM 0 HB2 PHE A 13 -2.394 9.321 -3.939 1.00 10.00 H new ATOM 0 HB3 PHE A 13 -2.950 8.073 -5.036 1.00 10.00 H new ATOM 0 HD1 PHE A 13 -4.291 10.770 -2.822 1.00 10.00 H new ATOM 0 HD2 PHE A 13 -4.801 8.496 -6.387 1.00 10.00 H new ATOM 0 HE1 PHE A 13 -6.190 12.195 -3.456 1.00 10.00 H new ATOM 0 HE2 PHE A 13 -6.701 9.913 -7.023 1.00 10.00 H new ATOM 0 HZ PHE A 13 -7.415 11.744 -5.566 1.00 10.00 H new ATOM 182 N GLN A 14 -5.845 7.183 -3.339 1.00 10.00 N ATOM 183 CA GLN A 14 -6.938 6.254 -3.552 1.00 10.00 C ATOM 184 C GLN A 14 -7.660 6.555 -4.855 1.00 10.00 C ATOM 185 O GLN A 14 -8.373 7.553 -4.966 1.00 10.00 O ATOM 186 CB GLN A 14 -7.934 6.298 -2.392 1.00 10.00 C ATOM 187 CG GLN A 14 -7.286 6.429 -1.023 1.00 10.00 C ATOM 188 CD GLN A 14 -7.601 7.758 -0.363 1.00 10.00 C ATOM 189 OE1 GLN A 14 -7.638 7.863 0.862 1.00 10.00 O ATOM 190 NE2 GLN A 14 -7.851 8.776 -1.170 1.00 10.00 N ATOM 0 H GLN A 14 -6.120 8.159 -3.231 1.00 10.00 H new ATOM 0 HA GLN A 14 -6.508 5.254 -3.607 1.00 10.00 H new ATOM 0 HB2 GLN A 14 -8.614 7.137 -2.542 1.00 10.00 H new ATOM 0 HB3 GLN A 14 -8.538 5.391 -2.411 1.00 10.00 H new ATOM 0 HG2 GLN A 14 -7.629 5.617 -0.382 1.00 10.00 H new ATOM 0 HG3 GLN A 14 -6.206 6.322 -1.123 1.00 10.00 H new ATOM 0 HE21 GLN A 14 -7.810 8.647 -2.181 1.00 10.00 H new ATOM 0 HE22 GLN A 14 -8.085 9.690 -0.781 1.00 10.00 H new ATOM 199 N SER A 15 -7.461 5.695 -5.834 1.00 10.00 N ATOM 200 CA SER A 15 -8.228 5.740 -7.055 1.00 10.00 C ATOM 201 C SER A 15 -9.360 4.729 -6.923 1.00 10.00 C ATOM 202 O SER A 15 -9.537 4.145 -5.848 1.00 10.00 O ATOM 203 CB SER A 15 -7.331 5.403 -8.249 1.00 10.00 C ATOM 204 OG SER A 15 -6.192 6.253 -8.291 1.00 10.00 O ATOM 0 H SER A 15 -6.765 4.950 -5.803 1.00 10.00 H new ATOM 0 HA SER A 15 -8.636 6.737 -7.222 1.00 10.00 H new ATOM 0 HB2 SER A 15 -7.010 4.363 -8.184 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.899 5.505 -9.174 1.00 10.00 H new ATOM 0 HG SER A 15 -5.516 5.926 -7.662 1.00 10.00 H new ATOM 210 N TRP A 16 -10.120 4.511 -7.986 1.00 10.00 N ATOM 211 CA TRP A 16 -11.196 3.528 -7.945 1.00 10.00 C ATOM 212 C TRP A 16 -10.648 2.123 -7.688 1.00 10.00 C ATOM 213 O TRP A 16 -10.161 1.453 -8.600 1.00 10.00 O ATOM 214 CB TRP A 16 -12.028 3.567 -9.232 1.00 10.00 C ATOM 215 CG TRP A 16 -12.911 4.776 -9.325 1.00 10.00 C ATOM 216 CD1 TRP A 16 -12.651 5.932 -10.000 1.00 10.00 C ATOM 217 CD2 TRP A 16 -14.193 4.950 -8.711 1.00 10.00 C ATOM 218 NE1 TRP A 16 -13.693 6.813 -9.848 1.00 10.00 N ATOM 219 CE2 TRP A 16 -14.652 6.233 -9.063 1.00 10.00 C ATOM 220 CE3 TRP A 16 -15.000 4.145 -7.904 1.00 10.00 C ATOM 221 CZ2 TRP A 16 -15.876 6.734 -8.626 1.00 10.00 C ATOM 222 CZ3 TRP A 16 -16.217 4.641 -7.474 1.00 10.00 C ATOM 223 CH2 TRP A 16 -16.647 5.923 -7.839 1.00 10.00 C ATOM 0 H TRP A 16 -10.015 4.994 -8.878 1.00 10.00 H new ATOM 0 HA TRP A 16 -11.853 3.788 -7.115 1.00 10.00 H new ATOM 0 HB2 TRP A 16 -11.358 3.547 -10.092 1.00 10.00 H new ATOM 0 HB3 TRP A 16 -12.644 2.669 -9.287 1.00 10.00 H new ATOM 0 HD1 TRP A 16 -11.755 6.126 -10.571 1.00 10.00 H new ATOM 0 HE1 TRP A 16 -13.744 7.747 -10.254 1.00 10.00 H new ATOM 0 HE3 TRP A 16 -14.679 3.153 -7.621 1.00 10.00 H new ATOM 0 HZ2 TRP A 16 -16.204 7.726 -8.898 1.00 10.00 H new ATOM 0 HZ3 TRP A 16 -16.847 4.029 -6.846 1.00 10.00 H new ATOM 0 HH2 TRP A 16 -17.606 6.278 -7.492 1.00 10.00 H new ATOM 234 N ARG A 17 -10.714 1.712 -6.417 1.00 10.00 N ATOM 235 CA ARG A 17 -10.221 0.409 -5.962 1.00 10.00 C ATOM 236 C ARG A 17 -8.737 0.229 -6.289 1.00 10.00 C ATOM 237 O ARG A 17 -8.296 -0.859 -6.654 1.00 10.00 O ATOM 238 CB ARG A 17 -11.053 -0.728 -6.570 1.00 10.00 C ATOM 239 CG ARG A 17 -12.540 -0.621 -6.262 1.00 10.00 C ATOM 240 CD ARG A 17 -13.278 -1.912 -6.577 1.00 10.00 C ATOM 241 NE ARG A 17 -13.095 -2.346 -7.961 1.00 10.00 N ATOM 242 CZ ARG A 17 -13.539 -3.506 -8.436 1.00 10.00 C ATOM 243 NH1 ARG A 17 -14.204 -4.347 -7.647 1.00 10.00 N ATOM 244 NH2 ARG A 17 -13.295 -3.826 -9.702 1.00 10.00 N ATOM 0 H ARG A 17 -11.114 2.279 -5.670 1.00 10.00 H new ATOM 0 HA ARG A 17 -10.328 0.373 -4.878 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -10.913 -0.733 -7.651 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -10.680 -1.681 -6.196 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -12.676 -0.373 -5.209 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -12.973 0.195 -6.840 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -12.930 -2.697 -5.906 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -14.341 -1.774 -6.382 1.00 10.00 H new ATOM 0 HE ARG A 17 -12.598 -1.724 -8.599 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -14.376 -4.103 -6.672 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -14.542 -5.235 -8.018 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -12.772 -3.185 -10.298 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -13.630 -4.713 -10.078 1.00 10.00 H new ATOM 258 N TYR A 18 -7.967 1.295 -6.112 1.00 10.00 N ATOM 259 CA TYR A 18 -6.551 1.288 -6.443 1.00 10.00 C ATOM 260 C TYR A 18 -5.809 2.208 -5.491 1.00 10.00 C ATOM 261 O TYR A 18 -5.794 3.421 -5.683 1.00 10.00 O ATOM 262 CB TYR A 18 -6.347 1.777 -7.870 1.00 10.00 C ATOM 263 CG TYR A 18 -5.260 1.063 -8.647 1.00 10.00 C ATOM 264 CD1 TYR A 18 -3.909 1.276 -8.383 1.00 10.00 C ATOM 265 CD2 TYR A 18 -5.595 0.169 -9.659 1.00 10.00 C ATOM 266 CE1 TYR A 18 -2.934 0.620 -9.106 1.00 10.00 C ATOM 267 CE2 TYR A 18 -4.622 -0.488 -10.386 1.00 10.00 C ATOM 268 CZ TYR A 18 -3.294 -0.260 -10.106 1.00 10.00 C ATOM 269 OH TYR A 18 -2.317 -0.918 -10.826 1.00 10.00 O ATOM 0 H TYR A 18 -8.305 2.182 -5.738 1.00 10.00 H new ATOM 0 HA TYR A 18 -6.168 0.271 -6.353 1.00 10.00 H new ATOM 0 HB2 TYR A 18 -7.287 1.672 -8.411 1.00 10.00 H new ATOM 0 HB3 TYR A 18 -6.113 2.841 -7.842 1.00 10.00 H new ATOM 0 HD1 TYR A 18 -3.621 1.964 -7.602 1.00 10.00 H new ATOM 0 HD2 TYR A 18 -6.636 -0.015 -9.880 1.00 10.00 H new ATOM 0 HE1 TYR A 18 -1.890 0.795 -8.890 1.00 10.00 H new ATOM 0 HE2 TYR A 18 -4.902 -1.177 -11.170 1.00 10.00 H new ATOM 0 HH TYR A 18 -2.738 -1.501 -11.491 1.00 10.00 H new ATOM 279 N THR A 19 -5.248 1.647 -4.447 1.00 10.00 N ATOM 280 CA THR A 19 -4.432 2.408 -3.535 1.00 10.00 C ATOM 281 C THR A 19 -2.997 2.443 -4.045 1.00 10.00 C ATOM 282 O THR A 19 -2.244 1.484 -3.883 1.00 10.00 O ATOM 283 CB THR A 19 -4.534 1.811 -2.124 1.00 10.00 C ATOM 284 OG1 THR A 19 -5.859 2.036 -1.623 1.00 10.00 O ATOM 285 CG2 THR A 19 -3.509 2.401 -1.162 1.00 10.00 C ATOM 0 H THR A 19 -5.343 0.660 -4.208 1.00 10.00 H new ATOM 0 HA THR A 19 -4.788 3.437 -3.479 1.00 10.00 H new ATOM 0 HB THR A 19 -4.322 0.744 -2.194 1.00 10.00 H new ATOM 0 HG1 THR A 19 -5.853 2.805 -1.016 1.00 10.00 H new ATOM 0 HG21 THR A 19 -3.626 1.943 -0.180 1.00 10.00 H new ATOM 0 HG22 THR A 19 -2.504 2.205 -1.536 1.00 10.00 H new ATOM 0 HG23 THR A 19 -3.663 3.477 -1.082 1.00 10.00 H new ATOM 293 N ASP A 20 -2.664 3.526 -4.741 1.00 10.00 N ATOM 294 CA ASP A 20 -1.344 3.693 -5.341 1.00 10.00 C ATOM 295 C ASP A 20 -0.348 4.285 -4.368 1.00 10.00 C ATOM 296 O ASP A 20 -0.423 5.457 -4.026 1.00 10.00 O ATOM 297 CB ASP A 20 -1.398 4.574 -6.590 1.00 10.00 C ATOM 298 CG ASP A 20 -2.222 5.835 -6.425 1.00 10.00 C ATOM 299 OD1 ASP A 20 -3.465 5.753 -6.536 1.00 10.00 O ATOM 300 OD2 ASP A 20 -1.627 6.915 -6.214 1.00 10.00 O ATOM 0 H ASP A 20 -3.297 4.309 -4.904 1.00 10.00 H new ATOM 0 HA ASP A 20 -1.014 2.692 -5.620 1.00 10.00 H new ATOM 0 HB2 ASP A 20 -0.382 4.851 -6.870 1.00 10.00 H new ATOM 0 HB3 ASP A 20 -1.808 3.991 -7.415 1.00 10.00 H new ATOM 305 N VAL A 21 0.604 3.477 -3.938 1.00 10.00 N ATOM 306 CA VAL A 21 1.686 3.982 -3.119 1.00 10.00 C ATOM 307 C VAL A 21 2.905 4.204 -3.992 1.00 10.00 C ATOM 308 O VAL A 21 3.515 3.269 -4.508 1.00 10.00 O ATOM 309 CB VAL A 21 1.989 3.096 -1.867 1.00 10.00 C ATOM 310 CG1 VAL A 21 1.108 1.859 -1.827 1.00 10.00 C ATOM 311 CG2 VAL A 21 3.456 2.708 -1.759 1.00 10.00 C ATOM 0 H VAL A 21 0.649 2.478 -4.141 1.00 10.00 H new ATOM 0 HA VAL A 21 1.375 4.937 -2.696 1.00 10.00 H new ATOM 0 HB VAL A 21 1.754 3.715 -1.001 1.00 10.00 H new ATOM 0 HG11 VAL A 21 1.349 1.269 -0.942 1.00 10.00 H new ATOM 0 HG12 VAL A 21 0.061 2.159 -1.789 1.00 10.00 H new ATOM 0 HG13 VAL A 21 1.281 1.260 -2.721 1.00 10.00 H new ATOM 0 HG21 VAL A 21 3.605 2.094 -0.871 1.00 10.00 H new ATOM 0 HG22 VAL A 21 3.749 2.144 -2.644 1.00 10.00 H new ATOM 0 HG23 VAL A 21 4.066 3.608 -1.684 1.00 10.00 H new ATOM 321 N HIS A 22 3.180 5.469 -4.230 1.00 10.00 N ATOM 322 CA HIS A 22 4.336 5.868 -4.999 1.00 10.00 C ATOM 323 C HIS A 22 5.474 6.249 -4.079 1.00 10.00 C ATOM 324 O HIS A 22 5.377 7.203 -3.311 1.00 10.00 O ATOM 325 CB HIS A 22 4.012 7.021 -5.970 1.00 10.00 C ATOM 326 CG HIS A 22 3.070 8.067 -5.451 1.00 10.00 C ATOM 327 ND1 HIS A 22 1.715 8.094 -5.415 1.00 10.00 N flip ATOM 328 CD2 HIS A 22 3.488 9.273 -4.939 1.00 10.00 C flip ATOM 329 CE1 HIS A 22 1.342 9.310 -4.894 1.00 10.00 C flip ATOM 330 NE2 HIS A 22 2.434 10.000 -4.611 1.00 10.00 N flip ATOM 0 H HIS A 22 2.610 6.246 -3.896 1.00 10.00 H new ATOM 0 HA HIS A 22 4.641 5.013 -5.603 1.00 10.00 H new ATOM 0 HB2 HIS A 22 4.946 7.508 -6.251 1.00 10.00 H new ATOM 0 HB3 HIS A 22 3.588 6.596 -6.880 1.00 10.00 H new ATOM 0 HD2 HIS A 22 4.517 9.579 -4.823 1.00 10.00 H new ATOM 0 HE1 HIS A 22 0.327 9.646 -4.741 1.00 10.00 H new ATOM 0 HE2 HIS A 22 2.459 10.936 -4.207 1.00 10.00 H new ATOM 339 N ASN A 23 6.536 5.476 -4.141 1.00 10.00 N ATOM 340 CA ASN A 23 7.724 5.761 -3.369 1.00 10.00 C ATOM 341 C ASN A 23 8.566 6.815 -4.087 1.00 10.00 C ATOM 342 O ASN A 23 8.381 7.056 -5.273 1.00 10.00 O ATOM 343 CB ASN A 23 8.530 4.474 -3.145 1.00 10.00 C ATOM 344 CG ASN A 23 9.905 4.715 -2.538 1.00 10.00 C ATOM 345 OD1 ASN A 23 10.885 4.938 -3.250 1.00 10.00 O ATOM 346 ND2 ASN A 23 9.991 4.659 -1.216 1.00 10.00 N ATOM 0 H ASN A 23 6.600 4.640 -4.722 1.00 10.00 H new ATOM 0 HA ASN A 23 7.435 6.154 -2.394 1.00 10.00 H new ATOM 0 HB2 ASN A 23 7.965 3.810 -2.491 1.00 10.00 H new ATOM 0 HB3 ASN A 23 8.648 3.958 -4.098 1.00 10.00 H new ATOM 0 HD21 ASN A 23 10.890 4.803 -0.757 1.00 10.00 H new ATOM 0 HD22 ASN A 23 9.158 4.472 -0.658 1.00 10.00 H new ATOM 353 N GLY A 24 9.454 7.460 -3.353 1.00 10.00 N ATOM 354 CA GLY A 24 10.398 8.388 -3.950 1.00 10.00 C ATOM 355 C GLY A 24 11.634 8.547 -3.093 1.00 10.00 C ATOM 356 O GLY A 24 12.152 9.650 -2.930 1.00 10.00 O ATOM 0 H GLY A 24 9.542 7.359 -2.342 1.00 10.00 H new ATOM 0 HA2 GLY A 24 10.683 8.032 -4.940 1.00 10.00 H new ATOM 0 HA3 GLY A 24 9.920 9.358 -4.085 1.00 10.00 H new ATOM 360 N CYS A 25 12.085 7.435 -2.524 1.00 10.00 N ATOM 361 CA CYS A 25 13.222 7.435 -1.610 1.00 10.00 C ATOM 362 C CYS A 25 14.531 7.186 -2.346 1.00 10.00 C ATOM 363 O CYS A 25 15.608 7.403 -1.790 1.00 10.00 O ATOM 364 CB CYS A 25 13.030 6.371 -0.538 1.00 10.00 C ATOM 365 SG CYS A 25 13.010 7.014 1.172 1.00 10.00 S ATOM 0 H CYS A 25 11.676 6.514 -2.681 1.00 10.00 H new ATOM 0 HA CYS A 25 13.274 8.420 -1.146 1.00 10.00 H new ATOM 0 HB2 CYS A 25 12.093 5.848 -0.727 1.00 10.00 H new ATOM 0 HB3 CYS A 25 13.829 5.635 -0.627 1.00 10.00 H new ATOM 370 N ALA A 26 14.404 6.689 -3.577 1.00 10.00 N ATOM 371 CA ALA A 26 15.539 6.354 -4.452 1.00 10.00 C ATOM 372 C ALA A 26 16.058 4.954 -4.157 1.00 10.00 C ATOM 373 O ALA A 26 16.900 4.428 -4.885 1.00 10.00 O ATOM 374 CB ALA A 26 16.660 7.379 -4.370 1.00 10.00 C ATOM 0 H ALA A 26 13.497 6.503 -4.005 1.00 10.00 H new ATOM 0 HA ALA A 26 15.166 6.376 -5.476 1.00 10.00 H new ATOM 0 HB1 ALA A 26 17.472 7.084 -5.035 1.00 10.00 H new ATOM 0 HB2 ALA A 26 16.282 8.356 -4.670 1.00 10.00 H new ATOM 0 HB3 ALA A 26 17.030 7.432 -3.346 1.00 10.00 H new ATOM 380 N ASP A 27 15.537 4.348 -3.097 1.00 10.00 N ATOM 381 CA ASP A 27 15.896 2.987 -2.746 1.00 10.00 C ATOM 382 C ASP A 27 14.649 2.123 -2.595 1.00 10.00 C ATOM 383 O ASP A 27 13.559 2.619 -2.295 1.00 10.00 O ATOM 384 CB ASP A 27 16.722 2.961 -1.456 1.00 10.00 C ATOM 385 CG ASP A 27 15.910 3.276 -0.208 1.00 10.00 C ATOM 386 OD1 ASP A 27 15.175 4.288 -0.216 1.00 10.00 O ATOM 387 OD2 ASP A 27 15.991 2.511 0.776 1.00 10.00 O ATOM 0 H ASP A 27 14.863 4.782 -2.466 1.00 10.00 H new ATOM 0 HA ASP A 27 16.504 2.578 -3.553 1.00 10.00 H new ATOM 0 HB2 ASP A 27 17.177 1.977 -1.345 1.00 10.00 H new ATOM 0 HB3 ASP A 27 17.536 3.680 -1.541 1.00 10.00 H new ATOM 392 N ALA A 28 14.815 0.834 -2.855 1.00 10.00 N ATOM 393 CA ALA A 28 13.737 -0.137 -2.715 1.00 10.00 C ATOM 394 C ALA A 28 13.383 -0.356 -1.251 1.00 10.00 C ATOM 395 O ALA A 28 14.251 -0.672 -0.435 1.00 10.00 O ATOM 396 CB ALA A 28 14.131 -1.458 -3.367 1.00 10.00 C ATOM 0 H ALA A 28 15.698 0.432 -3.168 1.00 10.00 H new ATOM 0 HA ALA A 28 12.856 0.259 -3.220 1.00 10.00 H new ATOM 0 HB1 ALA A 28 13.318 -2.175 -3.256 1.00 10.00 H new ATOM 0 HB2 ALA A 28 14.330 -1.296 -4.426 1.00 10.00 H new ATOM 0 HB3 ALA A 28 15.027 -1.848 -2.885 1.00 10.00 H new ATOM 402 N VAL A 29 12.112 -0.192 -0.924 1.00 10.00 N ATOM 403 CA VAL A 29 11.645 -0.417 0.440 1.00 10.00 C ATOM 404 C VAL A 29 10.437 -1.327 0.465 1.00 10.00 C ATOM 405 O VAL A 29 9.547 -1.220 -0.368 1.00 10.00 O ATOM 406 CB VAL A 29 11.284 0.885 1.184 1.00 10.00 C ATOM 407 CG1 VAL A 29 12.509 1.762 1.391 1.00 10.00 C ATOM 408 CG2 VAL A 29 10.207 1.659 0.443 1.00 10.00 C ATOM 0 H VAL A 29 11.385 0.095 -1.579 1.00 10.00 H new ATOM 0 HA VAL A 29 12.485 -0.885 0.954 1.00 10.00 H new ATOM 0 HB VAL A 29 10.896 0.601 2.162 1.00 10.00 H new ATOM 0 HG11 VAL A 29 12.221 2.671 1.918 1.00 10.00 H new ATOM 0 HG12 VAL A 29 13.249 1.220 1.980 1.00 10.00 H new ATOM 0 HG13 VAL A 29 12.937 2.024 0.423 1.00 10.00 H new ATOM 0 HG21 VAL A 29 9.973 2.572 0.991 1.00 10.00 H new ATOM 0 HG22 VAL A 29 10.564 1.916 -0.554 1.00 10.00 H new ATOM 0 HG23 VAL A 29 9.310 1.045 0.360 1.00 10.00 H new ATOM 418 N SER A 30 10.396 -2.208 1.441 1.00 10.00 N ATOM 419 CA SER A 30 9.303 -3.141 1.554 1.00 10.00 C ATOM 420 C SER A 30 8.238 -2.554 2.445 1.00 10.00 C ATOM 421 O SER A 30 8.484 -2.232 3.602 1.00 10.00 O ATOM 422 CB SER A 30 9.806 -4.482 2.078 1.00 10.00 C ATOM 423 OG SER A 30 10.924 -4.928 1.326 1.00 10.00 O ATOM 0 H SER A 30 11.108 -2.296 2.166 1.00 10.00 H new ATOM 0 HA SER A 30 8.865 -3.321 0.572 1.00 10.00 H new ATOM 0 HB2 SER A 30 10.082 -4.387 3.128 1.00 10.00 H new ATOM 0 HB3 SER A 30 9.007 -5.222 2.024 1.00 10.00 H new ATOM 0 HG SER A 30 11.233 -5.789 1.678 1.00 10.00 H new ATOM 429 N VAL A 31 7.073 -2.349 1.868 1.00 10.00 N ATOM 430 CA VAL A 31 5.969 -1.768 2.578 1.00 10.00 C ATOM 431 C VAL A 31 4.844 -2.781 2.756 1.00 10.00 C ATOM 432 O VAL A 31 4.848 -3.841 2.152 1.00 10.00 O ATOM 433 CB VAL A 31 5.451 -0.512 1.829 1.00 10.00 C ATOM 434 CG1 VAL A 31 6.605 0.228 1.148 1.00 10.00 C ATOM 435 CG2 VAL A 31 4.366 -0.862 0.803 1.00 10.00 C ATOM 0 H VAL A 31 6.871 -2.582 0.896 1.00 10.00 H new ATOM 0 HA VAL A 31 6.317 -1.470 3.567 1.00 10.00 H new ATOM 0 HB VAL A 31 5.001 0.143 2.575 1.00 10.00 H new ATOM 0 HG11 VAL A 31 6.219 1.105 0.629 1.00 10.00 H new ATOM 0 HG12 VAL A 31 7.330 0.541 1.899 1.00 10.00 H new ATOM 0 HG13 VAL A 31 7.089 -0.434 0.430 1.00 10.00 H new ATOM 0 HG21 VAL A 31 4.032 0.047 0.302 1.00 10.00 H new ATOM 0 HG22 VAL A 31 4.772 -1.554 0.066 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.521 -1.327 1.311 1.00 10.00 H new ATOM 445 N THR A 32 3.920 -2.445 3.622 1.00 10.00 N ATOM 446 CA THR A 32 2.730 -3.240 3.871 1.00 10.00 C ATOM 447 C THR A 32 1.592 -2.309 4.294 1.00 10.00 C ATOM 448 O THR A 32 1.846 -1.198 4.743 1.00 10.00 O ATOM 449 CB THR A 32 2.992 -4.344 4.941 1.00 10.00 C ATOM 450 OG1 THR A 32 1.821 -4.601 5.716 1.00 10.00 O ATOM 451 CG2 THR A 32 4.128 -3.990 5.880 1.00 10.00 C ATOM 0 H THR A 32 3.969 -1.597 4.187 1.00 10.00 H new ATOM 0 HA THR A 32 2.448 -3.759 2.955 1.00 10.00 H new ATOM 0 HB THR A 32 3.272 -5.237 4.382 1.00 10.00 H new ATOM 0 HG1 THR A 32 2.013 -5.298 6.378 1.00 10.00 H new ATOM 0 HG21 THR A 32 4.266 -4.794 6.603 1.00 10.00 H new ATOM 0 HG22 THR A 32 5.045 -3.856 5.307 1.00 10.00 H new ATOM 0 HG23 THR A 32 3.891 -3.065 6.406 1.00 10.00 H new ATOM 459 N VAL A 33 0.348 -2.746 4.136 1.00 10.00 N ATOM 460 CA VAL A 33 -0.797 -1.877 4.385 1.00 10.00 C ATOM 461 C VAL A 33 -1.844 -2.570 5.223 1.00 10.00 C ATOM 462 O VAL A 33 -2.105 -3.758 5.051 1.00 10.00 O ATOM 463 CB VAL A 33 -1.474 -1.403 3.085 1.00 10.00 C ATOM 464 CG1 VAL A 33 -1.228 0.074 2.849 1.00 10.00 C ATOM 465 CG2 VAL A 33 -0.995 -2.220 1.905 1.00 10.00 C ATOM 0 H VAL A 33 0.107 -3.691 3.838 1.00 10.00 H new ATOM 0 HA VAL A 33 -0.395 -1.014 4.916 1.00 10.00 H new ATOM 0 HB VAL A 33 -2.549 -1.551 3.192 1.00 10.00 H new ATOM 0 HG11 VAL A 33 -1.717 0.381 1.925 1.00 10.00 H new ATOM 0 HG12 VAL A 33 -1.633 0.648 3.682 1.00 10.00 H new ATOM 0 HG13 VAL A 33 -0.156 0.256 2.770 1.00 10.00 H new ATOM 0 HG21 VAL A 33 -1.485 -1.869 0.997 1.00 10.00 H new ATOM 0 HG22 VAL A 33 0.084 -2.110 1.800 1.00 10.00 H new ATOM 0 HG23 VAL A 33 -1.239 -3.270 2.067 1.00 10.00 H new ATOM 475 N GLU A 34 -2.446 -1.812 6.119 1.00 10.00 N ATOM 476 CA GLU A 34 -3.500 -2.327 6.969 1.00 10.00 C ATOM 477 C GLU A 34 -4.845 -1.752 6.530 1.00 10.00 C ATOM 478 O GLU A 34 -5.036 -0.531 6.536 1.00 10.00 O ATOM 479 CB GLU A 34 -3.208 -1.963 8.422 1.00 10.00 C ATOM 480 CG GLU A 34 -4.202 -2.556 9.409 1.00 10.00 C ATOM 481 CD GLU A 34 -4.290 -4.062 9.305 1.00 10.00 C ATOM 482 OE1 GLU A 34 -4.819 -4.562 8.289 1.00 10.00 O ATOM 483 OE2 GLU A 34 -3.821 -4.758 10.229 1.00 10.00 O ATOM 0 H GLU A 34 -2.220 -0.830 6.277 1.00 10.00 H new ATOM 0 HA GLU A 34 -3.543 -3.413 6.882 1.00 10.00 H new ATOM 0 HB2 GLU A 34 -2.205 -2.305 8.679 1.00 10.00 H new ATOM 0 HB3 GLU A 34 -3.211 -0.878 8.524 1.00 10.00 H new ATOM 0 HG2 GLU A 34 -3.911 -2.281 10.423 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -5.187 -2.124 9.232 1.00 10.00 H new ATOM 490 N TYR A 35 -5.768 -2.622 6.130 1.00 10.00 N ATOM 491 CA TYR A 35 -7.071 -2.170 5.642 1.00 10.00 C ATOM 492 C TYR A 35 -8.090 -2.116 6.763 1.00 10.00 C ATOM 493 O TYR A 35 -7.884 -2.675 7.839 1.00 10.00 O ATOM 494 CB TYR A 35 -7.628 -3.067 4.522 1.00 10.00 C ATOM 495 CG TYR A 35 -6.656 -3.357 3.408 1.00 10.00 C ATOM 496 CD1 TYR A 35 -5.732 -4.377 3.536 1.00 10.00 C ATOM 497 CD2 TYR A 35 -6.656 -2.608 2.240 1.00 10.00 C ATOM 498 CE1 TYR A 35 -4.825 -4.646 2.532 1.00 10.00 C ATOM 499 CE2 TYR A 35 -5.754 -2.873 1.228 1.00 10.00 C ATOM 500 CZ TYR A 35 -4.895 -3.886 1.334 1.00 10.00 C ATOM 501 OH TYR A 35 -3.935 -4.157 0.387 1.00 10.00 O ATOM 0 H TYR A 35 -5.642 -3.634 6.133 1.00 10.00 H new ATOM 0 HA TYR A 35 -6.904 -1.171 5.239 1.00 10.00 H new ATOM 0 HB2 TYR A 35 -7.952 -4.012 4.959 1.00 10.00 H new ATOM 0 HB3 TYR A 35 -8.513 -2.591 4.100 1.00 10.00 H new ATOM 0 HD1 TYR A 35 -5.720 -4.973 4.437 1.00 10.00 H new ATOM 0 HD2 TYR A 35 -7.371 -1.807 2.121 1.00 10.00 H new ATOM 0 HE1 TYR A 35 -4.079 -5.417 2.654 1.00 10.00 H new ATOM 0 HE2 TYR A 35 -5.745 -2.254 0.343 1.00 10.00 H new ATOM 0 HH TYR A 35 -4.364 -4.301 -0.482 1.00 10.00 H new ATOM 511 N THR A 36 -9.181 -1.421 6.487 1.00 10.00 N ATOM 512 CA THR A 36 -10.350 -1.388 7.353 1.00 10.00 C ATOM 513 C THR A 36 -10.807 -2.804 7.755 1.00 10.00 C ATOM 514 O THR A 36 -11.460 -2.991 8.781 1.00 10.00 O ATOM 515 CB THR A 36 -11.501 -0.634 6.636 1.00 10.00 C ATOM 516 OG1 THR A 36 -11.039 0.662 6.243 1.00 10.00 O ATOM 517 CG2 THR A 36 -12.745 -0.493 7.519 1.00 10.00 C ATOM 0 H THR A 36 -9.282 -0.856 5.644 1.00 10.00 H new ATOM 0 HA THR A 36 -10.080 -0.864 8.270 1.00 10.00 H new ATOM 0 HB THR A 36 -11.790 -1.219 5.763 1.00 10.00 H new ATOM 0 HG1 THR A 36 -10.249 0.568 5.671 1.00 10.00 H new ATOM 0 HG21 THR A 36 -13.521 0.042 6.971 1.00 10.00 H new ATOM 0 HG22 THR A 36 -13.110 -1.483 7.793 1.00 10.00 H new ATOM 0 HG23 THR A 36 -12.490 0.062 8.421 1.00 10.00 H new ATOM 525 N HIS A 37 -10.464 -3.802 6.942 1.00 10.00 N ATOM 526 CA HIS A 37 -10.713 -5.195 7.305 1.00 10.00 C ATOM 527 C HIS A 37 -9.394 -5.950 7.413 1.00 10.00 C ATOM 528 O HIS A 37 -8.887 -6.171 8.510 1.00 10.00 O ATOM 529 CB HIS A 37 -11.637 -5.893 6.298 1.00 10.00 C ATOM 530 CG HIS A 37 -13.060 -5.435 6.348 1.00 10.00 C ATOM 531 ND1 HIS A 37 -14.048 -6.112 7.024 1.00 10.00 N ATOM 532 CD2 HIS A 37 -13.660 -4.365 5.780 1.00 10.00 C ATOM 533 CE1 HIS A 37 -15.196 -5.478 6.870 1.00 10.00 C ATOM 534 NE2 HIS A 37 -14.988 -4.411 6.119 1.00 10.00 N ATOM 0 H HIS A 37 -10.016 -3.673 6.035 1.00 10.00 H new ATOM 0 HA HIS A 37 -11.216 -5.199 8.272 1.00 10.00 H new ATOM 0 HB2 HIS A 37 -11.250 -5.728 5.293 1.00 10.00 H new ATOM 0 HB3 HIS A 37 -11.607 -6.967 6.479 1.00 10.00 H new ATOM 0 HD2 HIS A 37 -13.181 -3.612 5.171 1.00 10.00 H new ATOM 0 HE1 HIS A 37 -16.145 -5.781 7.288 1.00 10.00 H new ATOM 0 HE2 HIS A 37 -15.697 -3.734 5.838 1.00 10.00 H new ATOM 543 N GLY A 38 -8.840 -6.347 6.273 1.00 10.00 N ATOM 544 CA GLY A 38 -7.556 -7.019 6.278 1.00 10.00 C ATOM 545 C GLY A 38 -7.386 -7.928 5.079 1.00 10.00 C ATOM 546 O GLY A 38 -7.078 -9.108 5.226 1.00 10.00 O ATOM 0 H GLY A 38 -9.255 -6.216 5.351 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -6.758 -6.276 6.286 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -7.456 -7.603 7.193 1.00 10.00 H new ATOM 550 N GLN A 39 -7.623 -7.384 3.891 1.00 10.00 N ATOM 551 CA GLN A 39 -7.436 -8.134 2.654 1.00 10.00 C ATOM 552 C GLN A 39 -5.972 -8.546 2.537 1.00 10.00 C ATOM 553 O GLN A 39 -5.080 -7.779 2.903 1.00 10.00 O ATOM 554 CB GLN A 39 -7.853 -7.273 1.450 1.00 10.00 C ATOM 555 CG GLN A 39 -8.610 -8.026 0.360 1.00 10.00 C ATOM 556 CD GLN A 39 -7.829 -9.187 -0.226 1.00 10.00 C ATOM 557 OE1 GLN A 39 -7.911 -10.318 0.259 1.00 10.00 O ATOM 558 NE2 GLN A 39 -7.065 -8.916 -1.271 1.00 10.00 N ATOM 0 H GLN A 39 -7.945 -6.425 3.758 1.00 10.00 H new ATOM 0 HA GLN A 39 -8.059 -9.028 2.667 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -8.476 -6.453 1.806 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -6.960 -6.828 1.012 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -9.548 -8.400 0.772 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -8.867 -7.331 -0.439 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -7.026 -7.966 -1.641 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -6.515 -9.657 -1.707 1.00 10.00 H new ATOM 567 N TRP A 40 -5.726 -9.745 2.035 1.00 10.00 N ATOM 568 CA TRP A 40 -4.374 -10.258 1.956 1.00 10.00 C ATOM 569 C TRP A 40 -3.575 -9.498 0.902 1.00 10.00 C ATOM 570 O TRP A 40 -3.896 -9.534 -0.288 1.00 10.00 O ATOM 571 CB TRP A 40 -4.405 -11.755 1.662 1.00 10.00 C ATOM 572 CG TRP A 40 -3.052 -12.379 1.534 1.00 10.00 C ATOM 573 CD1 TRP A 40 -2.559 -13.018 0.440 1.00 10.00 C ATOM 574 CD2 TRP A 40 -2.014 -12.414 2.524 1.00 10.00 C ATOM 575 NE1 TRP A 40 -1.284 -13.460 0.685 1.00 10.00 N ATOM 576 CE2 TRP A 40 -0.925 -13.100 1.956 1.00 10.00 C ATOM 577 CE3 TRP A 40 -1.901 -11.933 3.834 1.00 10.00 C ATOM 578 CZ2 TRP A 40 0.261 -13.321 2.654 1.00 10.00 C ATOM 579 CZ3 TRP A 40 -0.724 -12.153 4.522 1.00 10.00 C ATOM 580 CH2 TRP A 40 0.345 -12.840 3.932 1.00 10.00 C ATOM 0 H TRP A 40 -6.443 -10.377 1.678 1.00 10.00 H new ATOM 0 HA TRP A 40 -3.877 -10.109 2.915 1.00 10.00 H new ATOM 0 HB2 TRP A 40 -4.952 -12.260 2.458 1.00 10.00 H new ATOM 0 HB3 TRP A 40 -4.959 -11.922 0.738 1.00 10.00 H new ATOM 0 HD1 TRP A 40 -3.094 -13.157 -0.488 1.00 10.00 H new ATOM 0 HE1 TRP A 40 -0.698 -13.974 0.027 1.00 10.00 H new ATOM 0 HE3 TRP A 40 -2.718 -11.400 4.297 1.00 10.00 H new ATOM 0 HZ2 TRP A 40 1.085 -13.853 2.202 1.00 10.00 H new ATOM 0 HZ3 TRP A 40 -0.626 -11.789 5.534 1.00 10.00 H new ATOM 0 HH2 TRP A 40 1.253 -12.993 4.497 1.00 10.00 H new ATOM 591 N ALA A 41 -2.542 -8.808 1.370 1.00 10.00 N ATOM 592 CA ALA A 41 -1.733 -7.916 0.541 1.00 10.00 C ATOM 593 C ALA A 41 -0.539 -7.336 1.306 1.00 10.00 C ATOM 594 O ALA A 41 0.546 -7.274 0.740 1.00 10.00 O ATOM 595 CB ALA A 41 -2.561 -6.764 -0.016 1.00 10.00 C ATOM 0 H ALA A 41 -2.238 -8.850 2.343 1.00 10.00 H new ATOM 0 HA ALA A 41 -1.362 -8.530 -0.280 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -1.926 -6.122 -0.627 1.00 10.00 H new ATOM 0 HB2 ALA A 41 -3.372 -7.161 -0.627 1.00 10.00 H new ATOM 0 HB3 ALA A 41 -2.978 -6.184 0.807 1.00 10.00 H new ATOM 601 N PRO A 42 -0.742 -6.867 2.581 1.00 10.00 N ATOM 602 CA PRO A 42 0.278 -6.196 3.423 1.00 10.00 C ATOM 603 C PRO A 42 1.707 -6.780 3.377 1.00 10.00 C ATOM 604 O PRO A 42 2.148 -7.388 4.352 1.00 10.00 O ATOM 605 CB PRO A 42 -0.294 -6.349 4.861 1.00 10.00 C ATOM 606 CG PRO A 42 -1.548 -7.142 4.723 1.00 10.00 C ATOM 607 CD PRO A 42 -2.010 -6.905 3.323 1.00 10.00 C ATOM 0 HA PRO A 42 0.421 -5.177 3.064 1.00 10.00 H new ATOM 0 HB2 PRO A 42 0.418 -6.856 5.512 1.00 10.00 H new ATOM 0 HB3 PRO A 42 -0.496 -5.375 5.306 1.00 10.00 H new ATOM 0 HG2 PRO A 42 -1.366 -8.201 4.903 1.00 10.00 H new ATOM 0 HG3 PRO A 42 -2.299 -6.820 5.445 1.00 10.00 H new ATOM 0 HD2 PRO A 42 -2.665 -7.702 2.970 1.00 10.00 H new ATOM 0 HD3 PRO A 42 -2.565 -5.971 3.230 1.00 10.00 H new ATOM 615 N CYS A 43 2.400 -6.589 2.245 1.00 10.00 N ATOM 616 CA CYS A 43 3.848 -6.814 2.109 1.00 10.00 C ATOM 617 C CYS A 43 4.263 -6.750 0.635 1.00 10.00 C ATOM 618 O CYS A 43 3.977 -7.654 -0.148 1.00 10.00 O ATOM 619 CB CYS A 43 4.304 -8.140 2.730 1.00 10.00 C ATOM 620 SG CYS A 43 5.194 -7.936 4.309 1.00 10.00 S ATOM 0 H CYS A 43 1.962 -6.268 1.382 1.00 10.00 H new ATOM 0 HA CYS A 43 4.343 -6.016 2.662 1.00 10.00 H new ATOM 0 HB2 CYS A 43 3.433 -8.775 2.892 1.00 10.00 H new ATOM 0 HB3 CYS A 43 4.950 -8.660 2.023 1.00 10.00 H new ATOM 625 N ARG A 44 4.924 -5.664 0.265 1.00 10.00 N ATOM 626 CA ARG A 44 5.364 -5.433 -1.100 1.00 10.00 C ATOM 627 C ARG A 44 6.592 -4.536 -1.102 1.00 10.00 C ATOM 628 O ARG A 44 6.564 -3.455 -0.523 1.00 10.00 O ATOM 629 CB ARG A 44 4.251 -4.762 -1.916 1.00 10.00 C ATOM 630 CG ARG A 44 3.378 -5.715 -2.714 1.00 10.00 C ATOM 631 CD ARG A 44 4.064 -6.158 -3.999 1.00 10.00 C ATOM 632 NE ARG A 44 5.018 -7.247 -3.785 1.00 10.00 N ATOM 633 CZ ARG A 44 6.175 -7.365 -4.442 1.00 10.00 C ATOM 634 NH1 ARG A 44 6.597 -6.398 -5.252 1.00 10.00 N ATOM 635 NH2 ARG A 44 6.922 -8.446 -4.278 1.00 10.00 N ATOM 0 H ARG A 44 5.172 -4.913 0.909 1.00 10.00 H new ATOM 0 HA ARG A 44 5.609 -6.395 -1.551 1.00 10.00 H new ATOM 0 HB2 ARG A 44 3.616 -4.193 -1.237 1.00 10.00 H new ATOM 0 HB3 ARG A 44 4.705 -4.047 -2.603 1.00 10.00 H new ATOM 0 HG2 ARG A 44 3.142 -6.589 -2.107 1.00 10.00 H new ATOM 0 HG3 ARG A 44 2.432 -5.229 -2.954 1.00 10.00 H new ATOM 0 HD2 ARG A 44 3.309 -6.478 -4.717 1.00 10.00 H new ATOM 0 HD3 ARG A 44 4.583 -5.307 -4.440 1.00 10.00 H new ATOM 0 HE ARG A 44 4.785 -7.959 -3.092 1.00 10.00 H new ATOM 0 HH11 ARG A 44 6.035 -5.556 -5.376 1.00 10.00 H new ATOM 0 HH12 ARG A 44 7.482 -6.499 -5.749 1.00 10.00 H new ATOM 0 HH21 ARG A 44 6.614 -9.188 -3.650 1.00 10.00 H new ATOM 0 HH22 ARG A 44 7.806 -8.536 -4.780 1.00 10.00 H new ATOM 649 N VAL A 45 7.665 -4.975 -1.738 1.00 10.00 N ATOM 650 CA VAL A 45 8.830 -4.116 -1.893 1.00 10.00 C ATOM 651 C VAL A 45 8.619 -3.164 -3.059 1.00 10.00 C ATOM 652 O VAL A 45 8.155 -3.562 -4.128 1.00 10.00 O ATOM 653 CB VAL A 45 10.148 -4.912 -2.080 1.00 10.00 C ATOM 654 CG1 VAL A 45 9.925 -6.135 -2.939 1.00 10.00 C ATOM 655 CG2 VAL A 45 11.249 -4.040 -2.682 1.00 10.00 C ATOM 0 H VAL A 45 7.756 -5.904 -2.149 1.00 10.00 H new ATOM 0 HA VAL A 45 8.936 -3.551 -0.967 1.00 10.00 H new ATOM 0 HB VAL A 45 10.473 -5.235 -1.091 1.00 10.00 H new ATOM 0 HG11 VAL A 45 10.865 -6.675 -3.054 1.00 10.00 H new ATOM 0 HG12 VAL A 45 9.189 -6.784 -2.464 1.00 10.00 H new ATOM 0 HG13 VAL A 45 9.560 -5.829 -3.919 1.00 10.00 H new ATOM 0 HG21 VAL A 45 12.158 -4.630 -2.799 1.00 10.00 H new ATOM 0 HG22 VAL A 45 10.929 -3.670 -3.656 1.00 10.00 H new ATOM 0 HG23 VAL A 45 11.447 -3.196 -2.021 1.00 10.00 H new ATOM 665 N ILE A 46 8.939 -1.910 -2.825 1.00 10.00 N ATOM 666 CA ILE A 46 8.754 -0.871 -3.791 1.00 10.00 C ATOM 667 C ILE A 46 10.038 -0.644 -4.541 1.00 10.00 C ATOM 668 O ILE A 46 11.131 -0.795 -3.993 1.00 10.00 O ATOM 669 CB ILE A 46 8.336 0.450 -3.101 1.00 10.00 C ATOM 670 CG1 ILE A 46 7.189 1.120 -3.844 1.00 10.00 C ATOM 671 CG2 ILE A 46 9.515 1.401 -2.951 1.00 10.00 C ATOM 672 CD1 ILE A 46 5.832 0.550 -3.486 1.00 10.00 C ATOM 0 H ILE A 46 9.340 -1.588 -1.944 1.00 10.00 H new ATOM 0 HA ILE A 46 7.966 -1.178 -4.479 1.00 10.00 H new ATOM 0 HB ILE A 46 7.987 0.196 -2.100 1.00 10.00 H new ATOM 0 HG12 ILE A 46 7.197 2.188 -3.624 1.00 10.00 H new ATOM 0 HG13 ILE A 46 7.349 1.014 -4.917 1.00 10.00 H new ATOM 0 HG21 ILE A 46 9.183 2.317 -2.463 1.00 10.00 H new ATOM 0 HG22 ILE A 46 10.290 0.928 -2.347 1.00 10.00 H new ATOM 0 HG23 ILE A 46 9.917 1.640 -3.935 1.00 10.00 H new ATOM 0 HD11 ILE A 46 5.058 1.071 -4.050 1.00 10.00 H new ATOM 0 HD12 ILE A 46 5.807 -0.512 -3.731 1.00 10.00 H new ATOM 0 HD13 ILE A 46 5.653 0.680 -2.419 1.00 10.00 H new ATOM 684 N GLU A 47 9.902 -0.327 -5.793 1.00 10.00 N ATOM 685 CA GLU A 47 11.016 0.151 -6.556 1.00 10.00 C ATOM 686 C GLU A 47 11.128 1.651 -6.334 1.00 10.00 C ATOM 687 O GLU A 47 10.112 2.312 -6.133 1.00 10.00 O ATOM 688 CB GLU A 47 10.823 -0.203 -8.024 1.00 10.00 C ATOM 689 CG GLU A 47 10.440 -1.657 -8.206 1.00 10.00 C ATOM 690 CD GLU A 47 10.391 -2.075 -9.662 1.00 10.00 C ATOM 691 OE1 GLU A 47 9.322 -1.930 -10.294 1.00 10.00 O ATOM 692 OE2 GLU A 47 11.424 -2.539 -10.185 1.00 10.00 O ATOM 0 H GLU A 47 9.026 -0.391 -6.311 1.00 10.00 H new ATOM 0 HA GLU A 47 11.946 -0.319 -6.236 1.00 10.00 H new ATOM 0 HB2 GLU A 47 10.049 0.433 -8.453 1.00 10.00 H new ATOM 0 HB3 GLU A 47 11.743 0.002 -8.571 1.00 10.00 H new ATOM 0 HG2 GLU A 47 11.156 -2.285 -7.677 1.00 10.00 H new ATOM 0 HG3 GLU A 47 9.465 -1.831 -7.750 1.00 10.00 H new ATOM 699 N PRO A 48 12.353 2.177 -6.257 1.00 10.00 N ATOM 700 CA PRO A 48 12.609 3.615 -6.191 1.00 10.00 C ATOM 701 C PRO A 48 11.713 4.425 -7.130 1.00 10.00 C ATOM 702 O PRO A 48 12.016 4.580 -8.314 1.00 10.00 O ATOM 703 CB PRO A 48 14.066 3.721 -6.643 1.00 10.00 C ATOM 704 CG PRO A 48 14.694 2.405 -6.321 1.00 10.00 C ATOM 705 CD PRO A 48 13.586 1.393 -6.170 1.00 10.00 C ATOM 0 HA PRO A 48 12.409 4.016 -5.197 1.00 10.00 H new ATOM 0 HB2 PRO A 48 14.129 3.932 -7.710 1.00 10.00 H new ATOM 0 HB3 PRO A 48 14.577 4.534 -6.126 1.00 10.00 H new ATOM 0 HG2 PRO A 48 15.381 2.105 -7.113 1.00 10.00 H new ATOM 0 HG3 PRO A 48 15.277 2.474 -5.403 1.00 10.00 H new ATOM 0 HD2 PRO A 48 13.631 0.637 -6.954 1.00 10.00 H new ATOM 0 HD3 PRO A 48 13.656 0.869 -5.217 1.00 10.00 H new ATOM 713 N GLY A 49 10.589 4.910 -6.610 1.00 10.00 N ATOM 714 CA GLY A 49 9.703 5.721 -7.430 1.00 10.00 C ATOM 715 C GLY A 49 8.583 4.906 -8.039 1.00 10.00 C ATOM 716 O GLY A 49 7.863 5.386 -8.911 1.00 10.00 O ATOM 0 H GLY A 49 10.278 4.760 -5.650 1.00 10.00 H new ATOM 0 HA2 GLY A 49 9.279 6.521 -6.823 1.00 10.00 H new ATOM 0 HA3 GLY A 49 10.279 6.195 -8.225 1.00 10.00 H new ATOM 720 N GLY A 50 8.436 3.670 -7.575 1.00 10.00 N ATOM 721 CA GLY A 50 7.432 2.777 -8.108 1.00 10.00 C ATOM 722 C GLY A 50 6.165 2.762 -7.281 1.00 10.00 C ATOM 723 O GLY A 50 6.047 3.493 -6.294 1.00 10.00 O ATOM 0 H GLY A 50 9.004 3.269 -6.829 1.00 10.00 H new ATOM 0 HA2 GLY A 50 7.191 3.075 -9.128 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.840 1.767 -8.159 1.00 10.00 H new ATOM 727 N TRP A 51 5.230 1.910 -7.673 1.00 10.00 N ATOM 728 CA TRP A 51 3.943 1.812 -7.005 1.00 10.00 C ATOM 729 C TRP A 51 3.748 0.453 -6.362 1.00 10.00 C ATOM 730 O TRP A 51 4.483 -0.501 -6.628 1.00 10.00 O ATOM 731 CB TRP A 51 2.795 2.061 -7.989 1.00 10.00 C ATOM 732 CG TRP A 51 2.464 3.500 -8.213 1.00 10.00 C ATOM 733 CD1 TRP A 51 3.195 4.586 -7.854 1.00 10.00 C ATOM 734 CD2 TRP A 51 1.290 4.003 -8.852 1.00 10.00 C ATOM 735 NE1 TRP A 51 2.537 5.735 -8.223 1.00 10.00 N ATOM 736 CE2 TRP A 51 1.370 5.400 -8.844 1.00 10.00 C ATOM 737 CE3 TRP A 51 0.180 3.400 -9.431 1.00 10.00 C ATOM 738 CZ2 TRP A 51 0.381 6.209 -9.392 1.00 10.00 C ATOM 739 CZ3 TRP A 51 -0.806 4.196 -9.979 1.00 10.00 C ATOM 740 CH2 TRP A 51 -0.698 5.591 -9.957 1.00 10.00 C ATOM 0 H TRP A 51 5.342 1.270 -8.459 1.00 10.00 H new ATOM 0 HA TRP A 51 3.934 2.576 -6.228 1.00 10.00 H new ATOM 0 HB2 TRP A 51 3.051 1.608 -8.947 1.00 10.00 H new ATOM 0 HB3 TRP A 51 1.904 1.550 -7.623 1.00 10.00 H new ATOM 0 HD1 TRP A 51 4.151 4.552 -7.353 1.00 10.00 H new ATOM 0 HE1 TRP A 51 2.868 6.686 -8.059 1.00 10.00 H new ATOM 0 HE3 TRP A 51 0.090 2.324 -9.452 1.00 10.00 H new ATOM 0 HZ2 TRP A 51 0.463 7.286 -9.372 1.00 10.00 H new ATOM 0 HZ3 TRP A 51 -1.672 3.736 -10.431 1.00 10.00 H new ATOM 0 HH2 TRP A 51 -1.483 6.190 -10.395 1.00 10.00 H new ATOM 751 N ALA A 52 2.738 0.387 -5.520 1.00 10.00 N ATOM 752 CA ALA A 52 2.291 -0.847 -4.927 1.00 10.00 C ATOM 753 C ALA A 52 0.784 -0.798 -4.867 1.00 10.00 C ATOM 754 O ALA A 52 0.209 0.029 -4.165 1.00 10.00 O ATOM 755 CB ALA A 52 2.888 -1.041 -3.541 1.00 10.00 C ATOM 0 H ALA A 52 2.200 1.202 -5.227 1.00 10.00 H new ATOM 0 HA ALA A 52 2.621 -1.695 -5.527 1.00 10.00 H new ATOM 0 HB1 ALA A 52 2.532 -1.981 -3.120 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.975 -1.065 -3.613 1.00 10.00 H new ATOM 0 HB3 ALA A 52 2.585 -0.216 -2.896 1.00 10.00 H new ATOM 761 N THR A 53 0.156 -1.637 -5.655 1.00 10.00 N ATOM 762 CA THR A 53 -1.283 -1.640 -5.775 1.00 10.00 C ATOM 763 C THR A 53 -1.913 -2.359 -4.608 1.00 10.00 C ATOM 764 O THR A 53 -1.539 -3.481 -4.278 1.00 10.00 O ATOM 765 CB THR A 53 -1.693 -2.324 -7.088 1.00 10.00 C ATOM 766 OG1 THR A 53 -1.051 -1.675 -8.193 1.00 10.00 O ATOM 767 CG2 THR A 53 -3.203 -2.304 -7.272 1.00 10.00 C ATOM 0 H THR A 53 0.626 -2.336 -6.230 1.00 10.00 H new ATOM 0 HA THR A 53 -1.633 -0.608 -5.777 1.00 10.00 H new ATOM 0 HB THR A 53 -1.375 -3.366 -7.045 1.00 10.00 H new ATOM 0 HG1 THR A 53 -1.704 -1.123 -8.672 1.00 10.00 H new ATOM 0 HG21 THR A 53 -3.462 -2.795 -8.210 1.00 10.00 H new ATOM 0 HG22 THR A 53 -3.677 -2.830 -6.444 1.00 10.00 H new ATOM 0 HG23 THR A 53 -3.553 -1.272 -7.294 1.00 10.00 H new ATOM 775 N PHE A 54 -2.882 -1.710 -3.994 1.00 10.00 N ATOM 776 CA PHE A 54 -3.529 -2.271 -2.835 1.00 10.00 C ATOM 777 C PHE A 54 -5.009 -1.978 -2.926 1.00 10.00 C ATOM 778 O PHE A 54 -5.399 -0.926 -3.434 1.00 10.00 O ATOM 779 CB PHE A 54 -2.904 -1.727 -1.529 1.00 10.00 C ATOM 780 CG PHE A 54 -1.475 -2.156 -1.321 1.00 10.00 C ATOM 781 CD1 PHE A 54 -1.149 -3.502 -1.233 1.00 10.00 C ATOM 782 CD2 PHE A 54 -0.455 -1.219 -1.220 1.00 10.00 C ATOM 783 CE1 PHE A 54 0.157 -3.904 -1.049 1.00 10.00 C ATOM 784 CE2 PHE A 54 0.850 -1.622 -1.037 1.00 10.00 C ATOM 785 CZ PHE A 54 1.158 -2.964 -0.953 1.00 10.00 C ATOM 0 H PHE A 54 -3.235 -0.797 -4.280 1.00 10.00 H new ATOM 0 HA PHE A 54 -3.383 -3.351 -2.812 1.00 10.00 H new ATOM 0 HB2 PHE A 54 -2.950 -0.638 -1.540 1.00 10.00 H new ATOM 0 HB3 PHE A 54 -3.502 -2.063 -0.682 1.00 10.00 H new ATOM 0 HD1 PHE A 54 -1.929 -4.245 -1.310 1.00 10.00 H new ATOM 0 HD2 PHE A 54 -0.686 -0.166 -1.285 1.00 10.00 H new ATOM 0 HE1 PHE A 54 0.394 -4.955 -0.980 1.00 10.00 H new ATOM 0 HE2 PHE A 54 1.635 -0.884 -0.959 1.00 10.00 H new ATOM 0 HZ PHE A 54 2.182 -3.276 -0.812 1.00 10.00 H new ATOM 795 N ALA A 55 -5.824 -2.934 -2.495 1.00 10.00 N ATOM 796 CA ALA A 55 -7.269 -2.829 -2.630 1.00 10.00 C ATOM 797 C ALA A 55 -7.768 -1.532 -2.013 1.00 10.00 C ATOM 798 O ALA A 55 -7.790 -1.378 -0.791 1.00 10.00 O ATOM 799 CB ALA A 55 -7.958 -4.043 -2.005 1.00 10.00 C ATOM 0 H ALA A 55 -5.505 -3.793 -2.047 1.00 10.00 H new ATOM 0 HA ALA A 55 -7.520 -2.814 -3.691 1.00 10.00 H new ATOM 0 HB1 ALA A 55 -9.038 -3.946 -2.116 1.00 10.00 H new ATOM 0 HB2 ALA A 55 -7.622 -4.950 -2.507 1.00 10.00 H new ATOM 0 HB3 ALA A 55 -7.706 -4.099 -0.946 1.00 10.00 H new ATOM 805 N GLY A 56 -8.105 -0.575 -2.874 1.00 10.00 N ATOM 806 CA GLY A 56 -8.619 0.683 -2.399 1.00 10.00 C ATOM 807 C GLY A 56 -9.978 0.496 -1.754 1.00 10.00 C ATOM 808 O GLY A 56 -10.498 -0.621 -1.734 1.00 10.00 O ATOM 0 H GLY A 56 -8.029 -0.655 -3.888 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -7.925 1.116 -1.679 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -8.698 1.386 -3.228 1.00 10.00 H new ATOM 812 N TYR A 57 -10.594 1.570 -1.282 1.00 10.00 N ATOM 813 CA TYR A 57 -11.818 1.424 -0.510 1.00 10.00 C ATOM 814 C TYR A 57 -13.018 1.114 -1.406 1.00 10.00 C ATOM 815 O TYR A 57 -13.720 2.001 -1.891 1.00 10.00 O ATOM 816 CB TYR A 57 -12.069 2.646 0.385 1.00 10.00 C ATOM 817 CG TYR A 57 -12.198 3.978 -0.337 1.00 10.00 C ATOM 818 CD1 TYR A 57 -11.087 4.598 -0.903 1.00 10.00 C ATOM 819 CD2 TYR A 57 -13.430 4.606 -0.462 1.00 10.00 C ATOM 820 CE1 TYR A 57 -11.204 5.801 -1.572 1.00 10.00 C ATOM 821 CE2 TYR A 57 -13.553 5.810 -1.129 1.00 10.00 C ATOM 822 CZ TYR A 57 -12.431 6.427 -1.635 1.00 10.00 C ATOM 823 OH TYR A 57 -12.560 7.602 -2.350 1.00 10.00 O ATOM 0 H TYR A 57 -10.276 2.530 -1.415 1.00 10.00 H new ATOM 0 HA TYR A 57 -11.686 0.566 0.150 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -12.981 2.474 0.956 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.253 2.721 1.103 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -10.117 4.130 -0.818 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.307 4.146 -0.031 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.341 6.248 -2.042 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -14.525 6.265 -1.253 1.00 10.00 H new ATOM 0 HH TYR A 57 -13.487 7.917 -2.298 1.00 10.00 H new ATOM 833 N GLY A 58 -13.203 -0.170 -1.655 1.00 10.00 N ATOM 834 CA GLY A 58 -14.319 -0.635 -2.443 1.00 10.00 C ATOM 835 C GLY A 58 -14.469 -2.137 -2.366 1.00 10.00 C ATOM 836 O GLY A 58 -15.535 -2.643 -2.009 1.00 10.00 O ATOM 0 H GLY A 58 -12.587 -0.910 -1.318 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -15.235 -0.159 -2.093 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -14.181 -0.336 -3.482 1.00 10.00 H new ATOM 840 N THR A 59 -13.393 -2.844 -2.688 1.00 10.00 N ATOM 841 CA THR A 59 -13.385 -4.301 -2.677 1.00 10.00 C ATOM 842 C THR A 59 -13.640 -4.830 -1.263 1.00 10.00 C ATOM 843 O THR A 59 -12.806 -4.645 -0.369 1.00 10.00 O ATOM 844 CB THR A 59 -12.035 -4.837 -3.188 1.00 10.00 C ATOM 845 OG1 THR A 59 -11.661 -4.142 -4.386 1.00 10.00 O ATOM 846 CG2 THR A 59 -12.111 -6.330 -3.473 1.00 10.00 C ATOM 0 H THR A 59 -12.505 -2.425 -2.963 1.00 10.00 H new ATOM 0 HA THR A 59 -14.181 -4.647 -3.337 1.00 10.00 H new ATOM 0 HB THR A 59 -11.287 -4.670 -2.413 1.00 10.00 H new ATOM 0 HG1 THR A 59 -10.801 -4.484 -4.708 1.00 10.00 H new ATOM 0 HG21 THR A 59 -11.144 -6.681 -3.832 1.00 10.00 H new ATOM 0 HG22 THR A 59 -12.374 -6.862 -2.559 1.00 10.00 H new ATOM 0 HG23 THR A 59 -12.870 -6.517 -4.232 1.00 10.00 H new ATOM 854 N ASP A 60 -14.814 -5.442 -1.057 1.00 10.00 N ATOM 855 CA ASP A 60 -15.214 -5.983 0.249 1.00 10.00 C ATOM 856 C ASP A 60 -15.252 -4.900 1.323 1.00 10.00 C ATOM 857 O ASP A 60 -15.267 -5.190 2.521 1.00 10.00 O ATOM 858 CB ASP A 60 -14.277 -7.109 0.691 1.00 10.00 C ATOM 859 CG ASP A 60 -14.628 -8.443 0.070 1.00 10.00 C ATOM 860 OD1 ASP A 60 -14.174 -8.707 -1.064 1.00 10.00 O ATOM 861 OD2 ASP A 60 -15.375 -9.222 0.697 1.00 10.00 O ATOM 0 H ASP A 60 -15.512 -5.576 -1.789 1.00 10.00 H new ATOM 0 HA ASP A 60 -16.220 -6.384 0.127 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -13.253 -6.848 0.425 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -14.311 -7.199 1.777 1.00 10.00 H new ATOM 866 N GLY A 61 -15.245 -3.652 0.887 1.00 10.00 N ATOM 867 CA GLY A 61 -15.295 -2.537 1.823 1.00 10.00 C ATOM 868 C GLY A 61 -14.009 -2.376 2.614 1.00 10.00 C ATOM 869 O GLY A 61 -14.024 -1.835 3.719 1.00 10.00 O ATOM 0 H GLY A 61 -15.206 -3.385 -0.097 1.00 10.00 H new ATOM 0 HA2 GLY A 61 -15.497 -1.617 1.275 1.00 10.00 H new ATOM 0 HA3 GLY A 61 -16.125 -2.685 2.514 1.00 10.00 H new ATOM 873 N ASN A 62 -12.893 -2.866 2.079 1.00 10.00 N ATOM 874 CA ASN A 62 -11.613 -2.666 2.726 1.00 10.00 C ATOM 875 C ASN A 62 -11.015 -1.352 2.262 1.00 10.00 C ATOM 876 O ASN A 62 -10.973 -1.070 1.069 1.00 10.00 O ATOM 877 CB ASN A 62 -10.622 -3.803 2.437 1.00 10.00 C ATOM 878 CG ASN A 62 -11.025 -5.154 3.011 1.00 10.00 C ATOM 879 OD1 ASN A 62 -10.166 -5.910 3.468 1.00 10.00 O ATOM 880 ND2 ASN A 62 -12.311 -5.480 2.994 1.00 10.00 N ATOM 0 H ASN A 62 -12.855 -3.397 1.209 1.00 10.00 H new ATOM 0 HA ASN A 62 -11.791 -2.652 3.801 1.00 10.00 H new ATOM 0 HB2 ASN A 62 -10.506 -3.901 1.358 1.00 10.00 H new ATOM 0 HB3 ASN A 62 -9.647 -3.528 2.839 1.00 10.00 H new ATOM 0 HD21 ASN A 62 -12.614 -6.380 3.367 1.00 10.00 H new ATOM 0 HD22 ASN A 62 -12.997 -4.831 2.608 1.00 10.00 H new ATOM 887 N TYR A 63 -10.573 -0.556 3.211 1.00 10.00 N ATOM 888 CA TYR A 63 -9.890 0.691 2.920 1.00 10.00 C ATOM 889 C TYR A 63 -8.546 0.694 3.624 1.00 10.00 C ATOM 890 O TYR A 63 -8.486 0.581 4.843 1.00 10.00 O ATOM 891 CB TYR A 63 -10.741 1.893 3.364 1.00 10.00 C ATOM 892 CG TYR A 63 -10.013 3.228 3.341 1.00 10.00 C ATOM 893 CD1 TYR A 63 -9.340 3.643 2.198 1.00 10.00 C ATOM 894 CD2 TYR A 63 -9.989 4.066 4.455 1.00 10.00 C ATOM 895 CE1 TYR A 63 -8.669 4.851 2.161 1.00 10.00 C ATOM 896 CE2 TYR A 63 -9.318 5.276 4.423 1.00 10.00 C ATOM 897 CZ TYR A 63 -8.697 5.685 3.324 1.00 10.00 C ATOM 898 OH TYR A 63 -7.986 6.865 3.238 1.00 10.00 O ATOM 0 H TYR A 63 -10.676 -0.753 4.207 1.00 10.00 H new ATOM 0 HA TYR A 63 -9.734 0.777 1.845 1.00 10.00 H new ATOM 0 HB2 TYR A 63 -11.616 1.960 2.718 1.00 10.00 H new ATOM 0 HB3 TYR A 63 -11.105 1.710 4.375 1.00 10.00 H new ATOM 0 HD1 TYR A 63 -9.341 3.010 1.323 1.00 10.00 H new ATOM 0 HD2 TYR A 63 -10.502 3.766 5.357 1.00 10.00 H new ATOM 0 HE1 TYR A 63 -8.135 5.159 1.274 1.00 10.00 H new ATOM 0 HE2 TYR A 63 -9.300 5.897 5.306 1.00 10.00 H new ATOM 0 HH TYR A 63 -7.605 6.952 2.339 1.00 10.00 H new ATOM 908 N VAL A 64 -7.467 0.769 2.863 1.00 10.00 N ATOM 909 CA VAL A 64 -6.149 0.852 3.460 1.00 10.00 C ATOM 910 C VAL A 64 -6.089 2.097 4.344 1.00 10.00 C ATOM 911 O VAL A 64 -6.489 3.186 3.930 1.00 10.00 O ATOM 912 CB VAL A 64 -5.011 0.849 2.399 1.00 10.00 C ATOM 913 CG1 VAL A 64 -5.564 0.634 0.997 1.00 10.00 C ATOM 914 CG2 VAL A 64 -4.193 2.124 2.453 1.00 10.00 C ATOM 0 H VAL A 64 -7.478 0.774 1.843 1.00 10.00 H new ATOM 0 HA VAL A 64 -5.986 -0.038 4.067 1.00 10.00 H new ATOM 0 HB VAL A 64 -4.352 0.015 2.641 1.00 10.00 H new ATOM 0 HG11 VAL A 64 -4.745 0.637 0.278 1.00 10.00 H new ATOM 0 HG12 VAL A 64 -6.082 -0.324 0.953 1.00 10.00 H new ATOM 0 HG13 VAL A 64 -6.262 1.435 0.754 1.00 10.00 H new ATOM 0 HG21 VAL A 64 -3.408 2.085 1.698 1.00 10.00 H new ATOM 0 HG22 VAL A 64 -4.840 2.980 2.260 1.00 10.00 H new ATOM 0 HG23 VAL A 64 -3.742 2.225 3.440 1.00 10.00 H new ATOM 924 N THR A 65 -5.643 1.925 5.572 1.00 10.00 N ATOM 925 CA THR A 65 -5.646 3.022 6.520 1.00 10.00 C ATOM 926 C THR A 65 -4.273 3.225 7.140 1.00 10.00 C ATOM 927 O THR A 65 -4.029 4.230 7.810 1.00 10.00 O ATOM 928 CB THR A 65 -6.686 2.792 7.646 1.00 10.00 C ATOM 929 OG1 THR A 65 -6.467 1.511 8.260 1.00 10.00 O ATOM 930 CG2 THR A 65 -8.117 2.854 7.125 1.00 10.00 C ATOM 0 H THR A 65 -5.277 1.045 5.935 1.00 10.00 H new ATOM 0 HA THR A 65 -5.918 3.918 5.962 1.00 10.00 H new ATOM 0 HB THR A 65 -6.555 3.591 8.376 1.00 10.00 H new ATOM 0 HG1 THR A 65 -6.120 0.883 7.592 1.00 10.00 H new ATOM 0 HG21 THR A 65 -8.812 2.687 7.948 1.00 10.00 H new ATOM 0 HG22 THR A 65 -8.302 3.835 6.687 1.00 10.00 H new ATOM 0 HG23 THR A 65 -8.262 2.084 6.367 1.00 10.00 H new ATOM 938 N GLY A 66 -3.378 2.277 6.914 1.00 10.00 N ATOM 939 CA GLY A 66 -2.049 2.392 7.466 1.00 10.00 C ATOM 940 C GLY A 66 -1.006 1.694 6.632 1.00 10.00 C ATOM 941 O GLY A 66 -1.276 0.670 6.010 1.00 10.00 O ATOM 0 H GLY A 66 -3.548 1.436 6.362 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -1.789 3.447 7.557 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -2.042 1.974 8.473 1.00 10.00 H new ATOM 945 N LEU A 67 0.185 2.259 6.630 1.00 10.00 N ATOM 946 CA LEU A 67 1.312 1.691 5.921 1.00 10.00 C ATOM 947 C LEU A 67 2.393 1.319 6.922 1.00 10.00 C ATOM 948 O LEU A 67 2.702 2.077 7.840 1.00 10.00 O ATOM 949 CB LEU A 67 1.859 2.667 4.864 1.00 10.00 C ATOM 950 CG LEU A 67 1.377 2.431 3.423 1.00 10.00 C ATOM 951 CD1 LEU A 67 1.591 3.675 2.587 1.00 10.00 C ATOM 952 CD2 LEU A 67 2.125 1.279 2.780 1.00 10.00 C ATOM 0 H LEU A 67 0.398 3.127 7.122 1.00 10.00 H new ATOM 0 HA LEU A 67 0.982 0.797 5.393 1.00 10.00 H new ATOM 0 HB2 LEU A 67 1.586 3.681 5.157 1.00 10.00 H new ATOM 0 HB3 LEU A 67 2.948 2.614 4.876 1.00 10.00 H new ATOM 0 HG LEU A 67 0.315 2.190 3.467 1.00 10.00 H new ATOM 0 HD11 LEU A 67 1.245 3.493 1.569 1.00 10.00 H new ATOM 0 HD12 LEU A 67 1.030 4.504 3.018 1.00 10.00 H new ATOM 0 HD13 LEU A 67 2.652 3.924 2.571 1.00 10.00 H new ATOM 0 HD21 LEU A 67 1.764 1.134 1.762 1.00 10.00 H new ATOM 0 HD22 LEU A 67 3.191 1.504 2.759 1.00 10.00 H new ATOM 0 HD23 LEU A 67 1.958 0.369 3.357 1.00 10.00 H new ATOM 964 N HIS A 68 2.955 0.147 6.744 1.00 10.00 N ATOM 965 CA HIS A 68 3.950 -0.385 7.656 1.00 10.00 C ATOM 966 C HIS A 68 5.148 -0.898 6.867 1.00 10.00 C ATOM 967 O HIS A 68 5.026 -1.162 5.678 1.00 10.00 O ATOM 968 CB HIS A 68 3.324 -1.517 8.463 1.00 10.00 C ATOM 969 CG HIS A 68 2.946 -1.126 9.857 1.00 10.00 C ATOM 970 ND1 HIS A 68 3.514 -1.684 10.978 1.00 10.00 N ATOM 971 CD2 HIS A 68 2.049 -0.215 10.306 1.00 10.00 C ATOM 972 CE1 HIS A 68 2.989 -1.135 12.056 1.00 10.00 C ATOM 973 NE2 HIS A 68 2.095 -0.238 11.678 1.00 10.00 N ATOM 0 H HIS A 68 2.737 -0.470 5.961 1.00 10.00 H new ATOM 0 HA HIS A 68 4.291 0.398 8.334 1.00 10.00 H new ATOM 0 HB2 HIS A 68 2.436 -1.874 7.942 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.025 -2.351 8.507 1.00 10.00 H new ATOM 0 HD2 HIS A 68 1.415 0.413 9.697 1.00 10.00 H new ATOM 0 HE1 HIS A 68 3.246 -1.378 13.076 1.00 10.00 H new ATOM 0 HE2 HIS A 68 1.533 0.341 12.302 1.00 10.00 H new ATOM 982 N THR A 69 6.310 -1.001 7.493 1.00 10.00 N ATOM 983 CA THR A 69 7.477 -1.532 6.799 1.00 10.00 C ATOM 984 C THR A 69 7.427 -3.054 6.765 1.00 10.00 C ATOM 985 O THR A 69 7.196 -3.704 7.785 1.00 10.00 O ATOM 986 CB THR A 69 8.787 -1.090 7.465 1.00 10.00 C ATOM 987 OG1 THR A 69 8.517 -0.066 8.432 1.00 10.00 O ATOM 988 CG2 THR A 69 9.772 -0.563 6.434 1.00 10.00 C ATOM 0 H THR A 69 6.471 -0.730 8.463 1.00 10.00 H new ATOM 0 HA THR A 69 7.454 -1.135 5.784 1.00 10.00 H new ATOM 0 HB THR A 69 9.229 -1.957 7.956 1.00 10.00 H new ATOM 0 HG1 THR A 69 9.355 0.212 8.856 1.00 10.00 H new ATOM 0 HG21 THR A 69 10.692 -0.257 6.933 1.00 10.00 H new ATOM 0 HG22 THR A 69 9.995 -1.347 5.710 1.00 10.00 H new ATOM 0 HG23 THR A 69 9.336 0.293 5.919 1.00 10.00 H new ATOM 996 N CYS A 70 7.628 -3.611 5.589 1.00 10.00 N ATOM 997 CA CYS A 70 7.649 -5.050 5.425 1.00 10.00 C ATOM 998 C CYS A 70 9.099 -5.539 5.448 1.00 10.00 C ATOM 999 O CYS A 70 10.017 -4.749 5.220 1.00 10.00 O ATOM 1000 CB CYS A 70 6.956 -5.455 4.118 1.00 10.00 C ATOM 1001 SG CYS A 70 7.016 -7.239 3.744 1.00 10.00 S ATOM 0 H CYS A 70 7.780 -3.086 4.728 1.00 10.00 H new ATOM 0 HA CYS A 70 7.103 -5.515 6.246 1.00 10.00 H new ATOM 0 HB2 CYS A 70 5.913 -5.142 4.164 1.00 10.00 H new ATOM 0 HB3 CYS A 70 7.416 -4.909 3.294 1.00 10.00 H new ATOM 1006 N ASP A 71 9.320 -6.813 5.744 1.00 10.00 N ATOM 1007 CA ASP A 71 10.650 -7.392 5.634 1.00 10.00 C ATOM 1008 C ASP A 71 10.635 -8.457 4.561 1.00 10.00 C ATOM 1009 O ASP A 71 9.636 -9.147 4.419 1.00 10.00 O ATOM 1010 CB ASP A 71 11.134 -7.998 6.960 1.00 10.00 C ATOM 1011 CG ASP A 71 10.291 -9.165 7.428 1.00 10.00 C ATOM 1012 OD1 ASP A 71 9.127 -8.947 7.828 1.00 10.00 O ATOM 1013 OD2 ASP A 71 10.802 -10.306 7.423 1.00 10.00 O ATOM 0 H ASP A 71 8.599 -7.461 6.060 1.00 10.00 H new ATOM 0 HA ASP A 71 11.344 -6.593 5.373 1.00 10.00 H new ATOM 0 HB2 ASP A 71 12.167 -8.328 6.845 1.00 10.00 H new ATOM 0 HB3 ASP A 71 11.130 -7.225 7.728 1.00 10.00 H new ATOM 1018 N PRO A 72 11.738 -8.555 3.784 1.00 10.00 N ATOM 1019 CA PRO A 72 11.962 -9.510 2.694 1.00 10.00 C ATOM 1020 C PRO A 72 11.109 -10.772 2.748 1.00 10.00 C ATOM 1021 O PRO A 72 11.570 -11.847 3.137 1.00 10.00 O ATOM 1022 CB PRO A 72 13.448 -9.846 2.878 1.00 10.00 C ATOM 1023 CG PRO A 72 14.019 -8.728 3.712 1.00 10.00 C ATOM 1024 CD PRO A 72 12.916 -7.711 3.883 1.00 10.00 C ATOM 0 HA PRO A 72 11.687 -9.085 1.729 1.00 10.00 H new ATOM 0 HB2 PRO A 72 13.573 -10.808 3.375 1.00 10.00 H new ATOM 0 HB3 PRO A 72 13.956 -9.915 1.916 1.00 10.00 H new ATOM 0 HG2 PRO A 72 14.357 -9.100 4.679 1.00 10.00 H new ATOM 0 HG3 PRO A 72 14.885 -8.282 3.222 1.00 10.00 H new ATOM 0 HD2 PRO A 72 12.975 -7.197 4.842 1.00 10.00 H new ATOM 0 HD3 PRO A 72 12.939 -6.944 3.109 1.00 10.00 H new ATOM 1032 N ALA A 73 9.861 -10.618 2.341 1.00 10.00 N ATOM 1033 CA ALA A 73 8.899 -11.709 2.366 1.00 10.00 C ATOM 1034 C ALA A 73 7.637 -11.331 1.596 1.00 10.00 C ATOM 1035 O ALA A 73 6.699 -10.761 2.152 1.00 10.00 O ATOM 1036 CB ALA A 73 8.568 -12.071 3.806 1.00 10.00 C ATOM 0 H ALA A 73 9.486 -9.739 1.985 1.00 10.00 H new ATOM 0 HA ALA A 73 9.338 -12.580 1.879 1.00 10.00 H new ATOM 0 HB1 ALA A 73 7.847 -12.889 3.819 1.00 10.00 H new ATOM 0 HB2 ALA A 73 9.477 -12.380 4.322 1.00 10.00 H new ATOM 0 HB3 ALA A 73 8.142 -11.204 4.311 1.00 10.00 H new ATOM 1042 N THR A 74 7.636 -11.606 0.300 1.00 10.00 N ATOM 1043 CA THR A 74 6.507 -11.259 -0.542 1.00 10.00 C ATOM 1044 C THR A 74 5.530 -12.430 -0.670 1.00 10.00 C ATOM 1045 O THR A 74 5.941 -13.573 -0.891 1.00 10.00 O ATOM 1046 CB THR A 74 6.977 -10.795 -1.938 1.00 10.00 C ATOM 1047 OG1 THR A 74 5.852 -10.484 -2.775 1.00 10.00 O ATOM 1048 CG2 THR A 74 7.840 -11.853 -2.608 1.00 10.00 C ATOM 0 H THR A 74 8.404 -12.067 -0.188 1.00 10.00 H new ATOM 0 HA THR A 74 5.984 -10.431 -0.063 1.00 10.00 H new ATOM 0 HB THR A 74 7.577 -9.896 -1.800 1.00 10.00 H new ATOM 0 HG1 THR A 74 5.950 -10.939 -3.637 1.00 10.00 H new ATOM 0 HG21 THR A 74 8.156 -11.497 -3.589 1.00 10.00 H new ATOM 0 HG22 THR A 74 8.718 -12.049 -1.993 1.00 10.00 H new ATOM 0 HG23 THR A 74 7.265 -12.772 -2.723 1.00 10.00 H new ATOM 1056 N PRO A 75 4.225 -12.154 -0.516 1.00 10.00 N ATOM 1057 CA PRO A 75 3.171 -13.167 -0.649 1.00 10.00 C ATOM 1058 C PRO A 75 3.139 -13.799 -2.038 1.00 10.00 C ATOM 1059 O PRO A 75 2.918 -13.107 -3.036 1.00 10.00 O ATOM 1060 CB PRO A 75 1.873 -12.387 -0.390 1.00 10.00 C ATOM 1061 CG PRO A 75 2.228 -10.952 -0.560 1.00 10.00 C ATOM 1062 CD PRO A 75 3.671 -10.834 -0.171 1.00 10.00 C ATOM 0 HA PRO A 75 3.328 -13.997 0.040 1.00 10.00 H new ATOM 0 HB2 PRO A 75 1.091 -12.683 -1.090 1.00 10.00 H new ATOM 0 HB3 PRO A 75 1.493 -12.581 0.613 1.00 10.00 H new ATOM 0 HG2 PRO A 75 2.074 -10.632 -1.590 1.00 10.00 H new ATOM 0 HG3 PRO A 75 1.602 -10.318 0.068 1.00 10.00 H new ATOM 0 HD2 PRO A 75 4.170 -10.033 -0.717 1.00 10.00 H new ATOM 0 HD3 PRO A 75 3.785 -10.615 0.891 1.00 10.00 H new ATOM 1070 N SER A 76 3.381 -15.109 -2.085 1.00 10.00 N ATOM 1071 CA SER A 76 3.337 -15.890 -3.321 1.00 10.00 C ATOM 1072 C SER A 76 4.455 -15.495 -4.295 1.00 10.00 C ATOM 1073 O SER A 76 4.982 -14.379 -4.258 1.00 10.00 O ATOM 1074 CB SER A 76 1.961 -15.751 -3.990 1.00 10.00 C ATOM 1075 OG SER A 76 1.827 -16.629 -5.099 1.00 10.00 O ATOM 0 H SER A 76 3.615 -15.662 -1.260 1.00 10.00 H new ATOM 0 HA SER A 76 3.499 -16.934 -3.054 1.00 10.00 H new ATOM 0 HB2 SER A 76 1.179 -15.963 -3.261 1.00 10.00 H new ATOM 0 HB3 SER A 76 1.819 -14.722 -4.321 1.00 10.00 H new ATOM 0 HG SER A 76 0.940 -16.516 -5.500 1.00 10.00 H new ATOM 1081 N GLY A 77 4.825 -16.430 -5.158 1.00 10.00 N ATOM 1082 CA GLY A 77 5.831 -16.160 -6.162 1.00 10.00 C ATOM 1083 C GLY A 77 5.253 -15.417 -7.346 1.00 10.00 C ATOM 1084 O GLY A 77 4.647 -16.020 -8.236 1.00 10.00 O ATOM 0 H GLY A 77 4.443 -17.376 -5.180 1.00 10.00 H new ATOM 0 HA2 GLY A 77 6.637 -15.573 -5.721 1.00 10.00 H new ATOM 0 HA3 GLY A 77 6.269 -17.099 -6.500 1.00 10.00 H new ATOM 1088 N VAL A 78 5.420 -14.106 -7.345 1.00 10.00 N ATOM 1089 CA VAL A 78 4.918 -13.264 -8.413 1.00 10.00 C ATOM 1090 C VAL A 78 6.078 -12.502 -9.029 1.00 10.00 C ATOM 1091 O VAL A 78 6.448 -11.442 -8.487 1.00 10.00 O ATOM 1092 CB VAL A 78 3.852 -12.267 -7.909 1.00 10.00 C ATOM 1093 CG1 VAL A 78 3.274 -11.450 -9.061 1.00 10.00 C ATOM 1094 CG2 VAL A 78 2.745 -12.999 -7.164 1.00 10.00 C ATOM 1095 OXT VAL A 78 6.628 -12.984 -10.041 1.00 10.00 O ATOM 0 H VAL A 78 5.906 -13.598 -6.606 1.00 10.00 H new ATOM 0 HA VAL A 78 4.443 -13.905 -9.156 1.00 10.00 H new ATOM 0 HB VAL A 78 4.337 -11.577 -7.218 1.00 10.00 H new ATOM 0 HG11 VAL A 78 2.526 -10.757 -8.676 1.00 10.00 H new ATOM 0 HG12 VAL A 78 4.073 -10.889 -9.546 1.00 10.00 H new ATOM 0 HG13 VAL A 78 2.809 -12.120 -9.785 1.00 10.00 H new ATOM 0 HG21 VAL A 78 2.003 -12.280 -6.816 1.00 10.00 H new ATOM 0 HG22 VAL A 78 2.269 -13.717 -7.833 1.00 10.00 H new ATOM 0 HG23 VAL A 78 3.169 -13.525 -6.309 1.00 10.00 H new TER 1105 VAL A 78