USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=19 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 -59:sc= -1.05! USER MOD Set 1.2: A 25 SER OG : rot -57:sc= -0.664! USER MOD Single : A 9 THR OG1 : rot 23:sc= 0.781 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.172 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.97 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00812) USER MOD Single : A 33 GLN : amide:sc= -0.864 K(o=-0.86,f=-3.6!) USER MOD Single : A 36 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.6!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.315 F(o=-1.6,f=-0.31) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -2.48 F(o=-5.3!,f=-2.5) USER MOD Single : A 47 SER OG : rot -52:sc= 1.15 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.026) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 63:sc= -5.34! USER MOD Single : A 59 ASN : amide:sc= -0.937 K(o=-0.94,f=-3.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 16.801 14.395 -3.591 1.00 0.00 N ATOM 2 CA THR A 9 15.843 14.286 -2.454 1.00 0.00 C ATOM 3 C THR A 9 14.783 13.232 -2.779 1.00 0.00 C ATOM 4 O THR A 9 13.656 13.551 -3.104 1.00 0.00 O ATOM 5 CB THR A 9 15.165 15.639 -2.228 1.00 0.00 C ATOM 6 OG1 THR A 9 16.030 16.678 -2.665 1.00 0.00 O ATOM 7 CG2 THR A 9 14.860 15.818 -0.740 1.00 0.00 C ATOM 0 HA THR A 9 16.381 13.994 -1.552 1.00 0.00 H new ATOM 0 HB THR A 9 14.234 15.678 -2.793 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.670 16.319 -3.314 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.377 16.782 -0.581 1.00 0.00 H new ATOM 0 HG22 THR A 9 14.196 15.020 -0.406 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.789 15.779 -0.171 1.00 0.00 H new ATOM 17 N PHE A 10 15.133 11.978 -2.694 1.00 0.00 N ATOM 18 CA PHE A 10 14.144 10.906 -2.998 1.00 0.00 C ATOM 19 C PHE A 10 13.802 10.149 -1.712 1.00 0.00 C ATOM 20 O PHE A 10 14.357 10.407 -0.662 1.00 0.00 O ATOM 21 CB PHE A 10 14.740 9.937 -4.021 1.00 0.00 C ATOM 22 CG PHE A 10 14.488 10.474 -5.432 1.00 0.00 C ATOM 23 CD1 PHE A 10 14.949 11.726 -5.796 1.00 0.00 C ATOM 24 CD2 PHE A 10 13.787 9.721 -6.357 1.00 0.00 C ATOM 25 CE1 PHE A 10 14.710 12.218 -7.062 1.00 0.00 C ATOM 26 CE2 PHE A 10 13.548 10.214 -7.624 1.00 0.00 C ATOM 27 CZ PHE A 10 14.010 11.463 -7.976 1.00 0.00 C ATOM 0 H PHE A 10 16.061 11.650 -2.427 1.00 0.00 H new ATOM 0 HA PHE A 10 13.238 11.352 -3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 10 15.810 9.821 -3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.291 8.950 -3.909 1.00 0.00 H new ATOM 0 HD1 PHE A 10 15.500 12.323 -5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.424 8.741 -6.086 1.00 0.00 H new ATOM 0 HE1 PHE A 10 15.073 13.197 -7.337 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.999 9.620 -8.340 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.823 11.849 -8.967 1.00 0.00 H new ATOM 37 N VAL A 11 12.891 9.219 -1.786 1.00 0.00 N ATOM 38 CA VAL A 11 12.513 8.447 -0.569 1.00 0.00 C ATOM 39 C VAL A 11 12.249 6.992 -0.959 1.00 0.00 C ATOM 40 O VAL A 11 11.440 6.710 -1.820 1.00 0.00 O ATOM 41 CB VAL A 11 11.246 9.048 0.045 1.00 0.00 C ATOM 42 CG1 VAL A 11 11.035 8.470 1.446 1.00 0.00 C ATOM 43 CG2 VAL A 11 11.397 10.567 0.137 1.00 0.00 C ATOM 0 H VAL A 11 12.392 8.960 -2.637 1.00 0.00 H new ATOM 0 HA VAL A 11 13.323 8.491 0.159 1.00 0.00 H new ATOM 0 HB VAL A 11 10.387 8.805 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.133 8.897 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.929 7.387 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.893 8.713 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.496 10.996 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.255 10.810 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.548 10.979 -0.861 1.00 0.00 H new ATOM 53 N ALA A 12 12.922 6.064 -0.336 1.00 0.00 N ATOM 54 CA ALA A 12 12.699 4.635 -0.682 1.00 0.00 C ATOM 55 C ALA A 12 11.238 4.266 -0.422 1.00 0.00 C ATOM 56 O ALA A 12 10.724 4.432 0.666 1.00 0.00 O ATOM 57 CB ALA A 12 13.607 3.745 0.165 1.00 0.00 C ATOM 0 H ALA A 12 13.613 6.234 0.394 1.00 0.00 H new ATOM 0 HA ALA A 12 12.932 4.484 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.437 2.700 -0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.649 4.002 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.383 3.897 1.221 1.00 0.00 H new ATOM 63 N LEU A 13 10.566 3.780 -1.424 1.00 0.00 N ATOM 64 CA LEU A 13 9.139 3.393 -1.264 1.00 0.00 C ATOM 65 C LEU A 13 9.038 1.962 -0.725 1.00 0.00 C ATOM 66 O LEU A 13 8.278 1.689 0.182 1.00 0.00 O ATOM 67 CB LEU A 13 8.442 3.463 -2.624 1.00 0.00 C ATOM 68 CG LEU A 13 7.552 4.705 -2.685 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.802 4.725 -4.018 1.00 0.00 C ATOM 70 CD2 LEU A 13 6.546 4.668 -1.534 1.00 0.00 C ATOM 0 H LEU A 13 10.948 3.632 -2.358 1.00 0.00 H new ATOM 0 HA LEU A 13 8.662 4.077 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.184 3.496 -3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.843 2.566 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 13 8.168 5.600 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.166 5.609 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.519 4.750 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.185 3.830 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.911 5.553 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.928 3.774 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.080 4.650 -0.584 1.00 0.00 H new ATOM 82 N TYR A 14 9.793 1.043 -1.270 1.00 0.00 N ATOM 83 CA TYR A 14 9.714 -0.363 -0.766 1.00 0.00 C ATOM 84 C TYR A 14 11.112 -0.924 -0.490 1.00 0.00 C ATOM 85 O TYR A 14 12.114 -0.281 -0.732 1.00 0.00 O ATOM 86 CB TYR A 14 9.024 -1.237 -1.813 1.00 0.00 C ATOM 87 CG TYR A 14 7.621 -0.698 -2.082 1.00 0.00 C ATOM 88 CD1 TYR A 14 7.427 0.298 -3.015 1.00 0.00 C ATOM 89 CD2 TYR A 14 6.532 -1.195 -1.398 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.161 0.790 -3.263 1.00 0.00 C ATOM 91 CE2 TYR A 14 5.267 -0.704 -1.643 1.00 0.00 C ATOM 92 CZ TYR A 14 5.071 0.292 -2.578 1.00 0.00 C ATOM 93 OH TYR A 14 3.806 0.784 -2.825 1.00 0.00 O ATOM 0 H TYR A 14 10.453 1.200 -2.032 1.00 0.00 H new ATOM 0 HA TYR A 14 9.146 -0.365 0.164 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.605 -1.245 -2.735 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.968 -2.268 -1.462 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.272 0.697 -3.556 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.671 -1.975 -0.664 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.023 1.569 -3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.423 -1.102 -1.099 1.00 0.00 H new ATOM 0 HH TYR A 14 3.157 0.320 -2.255 1.00 0.00 H new ATOM 103 N ASP A 15 11.178 -2.129 0.018 1.00 0.00 N ATOM 104 CA ASP A 15 12.498 -2.752 0.319 1.00 0.00 C ATOM 105 C ASP A 15 12.906 -3.684 -0.829 1.00 0.00 C ATOM 106 O ASP A 15 13.061 -4.876 -0.653 1.00 0.00 O ATOM 107 CB ASP A 15 12.401 -3.556 1.618 1.00 0.00 C ATOM 108 CG ASP A 15 11.439 -4.729 1.423 1.00 0.00 C ATOM 109 OD1 ASP A 15 10.245 -4.487 1.364 1.00 0.00 O ATOM 110 OD2 ASP A 15 11.914 -5.850 1.337 1.00 0.00 O ATOM 0 H ASP A 15 10.368 -2.709 0.237 1.00 0.00 H new ATOM 0 HA ASP A 15 13.247 -1.968 0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.386 -3.924 1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.051 -2.916 2.428 1.00 0.00 H new ATOM 115 N TYR A 16 13.074 -3.139 -2.002 1.00 0.00 N ATOM 116 CA TYR A 16 13.473 -3.962 -3.186 1.00 0.00 C ATOM 117 C TYR A 16 14.511 -5.009 -2.760 1.00 0.00 C ATOM 118 O TYR A 16 15.559 -4.683 -2.239 1.00 0.00 O ATOM 119 CB TYR A 16 14.056 -3.011 -4.235 1.00 0.00 C ATOM 120 CG TYR A 16 15.120 -3.695 -5.093 1.00 0.00 C ATOM 121 CD1 TYR A 16 14.760 -4.316 -6.263 1.00 0.00 C ATOM 122 CD2 TYR A 16 16.455 -3.642 -4.742 1.00 0.00 C ATOM 123 CE1 TYR A 16 15.718 -4.872 -7.084 1.00 0.00 C ATOM 124 CE2 TYR A 16 17.416 -4.200 -5.562 1.00 0.00 C ATOM 125 CZ TYR A 16 17.054 -4.821 -6.740 1.00 0.00 C ATOM 126 OH TYR A 16 18.010 -5.381 -7.562 1.00 0.00 O ATOM 0 H TYR A 16 12.951 -2.145 -2.196 1.00 0.00 H new ATOM 0 HA TYR A 16 12.616 -4.492 -3.602 1.00 0.00 H new ATOM 0 HB2 TYR A 16 13.255 -2.641 -4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 16 14.492 -2.145 -3.738 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.718 -4.369 -6.543 1.00 0.00 H new ATOM 0 HD2 TYR A 16 16.749 -3.161 -3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 16 15.421 -5.352 -8.005 1.00 0.00 H new ATOM 0 HE2 TYR A 16 18.457 -4.150 -5.280 1.00 0.00 H new ATOM 0 HH TYR A 16 17.707 -5.339 -8.493 1.00 0.00 H new ATOM 136 N GLU A 17 14.222 -6.266 -2.977 1.00 0.00 N ATOM 137 CA GLU A 17 15.188 -7.331 -2.585 1.00 0.00 C ATOM 138 C GLU A 17 16.503 -7.130 -3.343 1.00 0.00 C ATOM 139 O GLU A 17 16.513 -6.869 -4.530 1.00 0.00 O ATOM 140 CB GLU A 17 14.599 -8.708 -2.916 1.00 0.00 C ATOM 141 CG GLU A 17 14.712 -8.978 -4.419 1.00 0.00 C ATOM 142 CD GLU A 17 13.950 -7.899 -5.190 1.00 0.00 C ATOM 143 OE1 GLU A 17 12.743 -7.824 -5.028 1.00 0.00 O ATOM 144 OE2 GLU A 17 14.585 -7.167 -5.929 1.00 0.00 O ATOM 0 H GLU A 17 13.360 -6.599 -3.408 1.00 0.00 H new ATOM 0 HA GLU A 17 15.379 -7.274 -1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.126 -9.482 -2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.554 -8.749 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.759 -8.984 -4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.307 -9.962 -4.654 1.00 0.00 H new ATOM 151 N SER A 18 17.611 -7.251 -2.666 1.00 0.00 N ATOM 152 CA SER A 18 18.922 -7.067 -3.344 1.00 0.00 C ATOM 153 C SER A 18 19.418 -8.411 -3.876 1.00 0.00 C ATOM 154 O SER A 18 18.908 -9.457 -3.523 1.00 0.00 O ATOM 155 CB SER A 18 19.933 -6.510 -2.343 1.00 0.00 C ATOM 156 OG SER A 18 19.647 -7.019 -1.049 1.00 0.00 O ATOM 0 H SER A 18 17.664 -7.470 -1.671 1.00 0.00 H new ATOM 0 HA SER A 18 18.808 -6.371 -4.175 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.945 -6.787 -2.639 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.890 -5.421 -2.335 1.00 0.00 H new ATOM 0 HG SER A 18 18.737 -6.762 -0.790 1.00 0.00 H new ATOM 162 N ARG A 19 20.409 -8.393 -4.722 1.00 0.00 N ATOM 163 CA ARG A 19 20.939 -9.670 -5.277 1.00 0.00 C ATOM 164 C ARG A 19 22.463 -9.691 -5.143 1.00 0.00 C ATOM 165 O ARG A 19 23.062 -10.723 -4.915 1.00 0.00 O ATOM 166 CB ARG A 19 20.554 -9.786 -6.753 1.00 0.00 C ATOM 167 CG ARG A 19 19.678 -11.024 -6.955 1.00 0.00 C ATOM 168 CD ARG A 19 20.536 -12.284 -6.819 1.00 0.00 C ATOM 169 NE ARG A 19 20.946 -12.753 -8.172 1.00 0.00 N ATOM 170 CZ ARG A 19 21.798 -13.734 -8.294 1.00 0.00 C ATOM 171 NH1 ARG A 19 22.738 -13.898 -7.402 1.00 0.00 N ATOM 172 NH2 ARG A 19 21.713 -14.551 -9.307 1.00 0.00 N ATOM 0 H ARG A 19 20.876 -7.549 -5.054 1.00 0.00 H new ATOM 0 HA ARG A 19 20.514 -10.509 -4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 19 20.018 -8.892 -7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.450 -9.857 -7.369 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.874 -11.038 -6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.210 -10.995 -7.939 1.00 0.00 H new ATOM 0 HD2 ARG A 19 21.417 -12.073 -6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.975 -13.065 -6.306 1.00 0.00 H new ATOM 0 HE ARG A 19 20.560 -12.307 -9.004 1.00 0.00 H new ATOM 0 HH11 ARG A 19 22.806 -13.259 -6.610 1.00 0.00 H new ATOM 0 HH12 ARG A 19 23.404 -14.665 -7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.980 -14.424 -10.005 1.00 0.00 H new ATOM 0 HH22 ARG A 19 22.379 -15.317 -9.401 1.00 0.00 H new ATOM 186 N THR A 20 23.094 -8.558 -5.279 1.00 0.00 N ATOM 187 CA THR A 20 24.579 -8.514 -5.159 1.00 0.00 C ATOM 188 C THR A 20 25.038 -7.058 -5.021 1.00 0.00 C ATOM 189 O THR A 20 24.246 -6.169 -4.778 1.00 0.00 O ATOM 190 CB THR A 20 25.207 -9.149 -6.404 1.00 0.00 C ATOM 191 OG1 THR A 20 26.573 -9.437 -6.149 1.00 0.00 O ATOM 192 CG2 THR A 20 25.096 -8.192 -7.591 1.00 0.00 C ATOM 0 H THR A 20 22.646 -7.661 -5.468 1.00 0.00 H new ATOM 0 HA THR A 20 24.895 -9.070 -4.276 1.00 0.00 H new ATOM 0 HB THR A 20 24.678 -10.072 -6.642 1.00 0.00 H new ATOM 0 HG1 THR A 20 26.975 -9.845 -6.944 1.00 0.00 H new ATOM 0 HG21 THR A 20 25.545 -8.651 -8.472 1.00 0.00 H new ATOM 0 HG22 THR A 20 24.046 -7.978 -7.789 1.00 0.00 H new ATOM 0 HG23 THR A 20 25.618 -7.264 -7.360 1.00 0.00 H new ATOM 200 N GLU A 21 26.311 -6.805 -5.171 1.00 0.00 N ATOM 201 CA GLU A 21 26.818 -5.412 -5.048 1.00 0.00 C ATOM 202 C GLU A 21 26.319 -4.562 -6.220 1.00 0.00 C ATOM 203 O GLU A 21 26.172 -3.361 -6.107 1.00 0.00 O ATOM 204 CB GLU A 21 28.345 -5.438 -5.049 1.00 0.00 C ATOM 205 CG GLU A 21 28.848 -5.920 -6.411 1.00 0.00 C ATOM 206 CD GLU A 21 29.700 -7.178 -6.223 1.00 0.00 C ATOM 207 OE1 GLU A 21 29.199 -8.129 -5.648 1.00 0.00 O ATOM 208 OE2 GLU A 21 30.839 -7.168 -6.659 1.00 0.00 O ATOM 0 H GLU A 21 27.022 -7.507 -5.374 1.00 0.00 H new ATOM 0 HA GLU A 21 26.453 -4.976 -4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 21 28.736 -4.443 -4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 21 28.708 -6.098 -4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 21 28.005 -6.134 -7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 21 29.436 -5.138 -6.891 1.00 0.00 H new ATOM 215 N THR A 22 26.058 -5.170 -7.344 1.00 0.00 N ATOM 216 CA THR A 22 25.570 -4.391 -8.518 1.00 0.00 C ATOM 217 C THR A 22 24.246 -3.707 -8.168 1.00 0.00 C ATOM 218 O THR A 22 23.824 -2.779 -8.827 1.00 0.00 O ATOM 219 CB THR A 22 25.356 -5.334 -9.705 1.00 0.00 C ATOM 220 OG1 THR A 22 26.076 -6.539 -9.486 1.00 0.00 O ATOM 221 CG2 THR A 22 25.855 -4.665 -10.986 1.00 0.00 C ATOM 0 H THR A 22 26.161 -6.173 -7.501 1.00 0.00 H new ATOM 0 HA THR A 22 26.310 -3.635 -8.781 1.00 0.00 H new ATOM 0 HB THR A 22 24.294 -5.558 -9.805 1.00 0.00 H new ATOM 0 HG1 THR A 22 25.939 -7.145 -10.244 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.702 -5.337 -11.831 1.00 0.00 H new ATOM 0 HG22 THR A 22 25.302 -3.741 -11.153 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.917 -4.440 -10.889 1.00 0.00 H new ATOM 229 N ASP A 23 23.587 -4.159 -7.136 1.00 0.00 N ATOM 230 CA ASP A 23 22.292 -3.534 -6.746 1.00 0.00 C ATOM 231 C ASP A 23 22.042 -3.761 -5.257 1.00 0.00 C ATOM 232 O ASP A 23 21.795 -4.868 -4.822 1.00 0.00 O ATOM 233 CB ASP A 23 21.155 -4.165 -7.554 1.00 0.00 C ATOM 234 CG ASP A 23 21.636 -4.444 -8.980 1.00 0.00 C ATOM 235 OD1 ASP A 23 21.779 -3.494 -9.733 1.00 0.00 O ATOM 236 OD2 ASP A 23 21.853 -5.603 -9.294 1.00 0.00 O ATOM 0 H ASP A 23 23.890 -4.934 -6.546 1.00 0.00 H new ATOM 0 HA ASP A 23 22.333 -2.464 -6.949 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.829 -5.091 -7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.294 -3.497 -7.573 1.00 0.00 H new ATOM 241 N LEU A 24 22.103 -2.723 -4.471 1.00 0.00 N ATOM 242 CA LEU A 24 21.866 -2.888 -3.012 1.00 0.00 C ATOM 243 C LEU A 24 20.382 -3.154 -2.784 1.00 0.00 C ATOM 244 O LEU A 24 19.648 -3.445 -3.706 1.00 0.00 O ATOM 245 CB LEU A 24 22.290 -1.617 -2.263 1.00 0.00 C ATOM 246 CG LEU A 24 23.677 -1.144 -2.734 1.00 0.00 C ATOM 247 CD1 LEU A 24 24.364 -0.395 -1.590 1.00 0.00 C ATOM 248 CD2 LEU A 24 24.548 -2.339 -3.139 1.00 0.00 C ATOM 0 H LEU A 24 22.306 -1.771 -4.775 1.00 0.00 H new ATOM 0 HA LEU A 24 22.455 -3.725 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 24 21.556 -0.829 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 24 22.311 -1.811 -1.191 1.00 0.00 H new ATOM 0 HG LEU A 24 23.550 -0.491 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 24 25.348 -0.056 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 24 23.760 0.466 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 24 24.474 -1.061 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 24 25.524 -1.983 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 24 24.674 -3.004 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 24 24.066 -2.881 -3.952 1.00 0.00 H new ATOM 260 N SER A 25 19.930 -3.061 -1.569 1.00 0.00 N ATOM 261 CA SER A 25 18.489 -3.314 -1.302 1.00 0.00 C ATOM 262 C SER A 25 17.836 -2.084 -0.674 1.00 0.00 C ATOM 263 O SER A 25 16.631 -1.945 -0.701 1.00 0.00 O ATOM 264 CB SER A 25 18.349 -4.496 -0.341 1.00 0.00 C ATOM 265 OG SER A 25 17.595 -5.523 -0.963 1.00 0.00 O ATOM 0 H SER A 25 20.492 -2.822 -0.752 1.00 0.00 H new ATOM 0 HA SER A 25 17.994 -3.537 -2.247 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.334 -4.871 -0.062 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.858 -4.175 0.578 1.00 0.00 H new ATOM 0 HG SER A 25 16.724 -5.169 -1.238 1.00 0.00 H new ATOM 271 N PHE A 26 18.621 -1.184 -0.129 1.00 0.00 N ATOM 272 CA PHE A 26 18.044 0.042 0.506 1.00 0.00 C ATOM 273 C PHE A 26 16.750 -0.331 1.227 1.00 0.00 C ATOM 274 O PHE A 26 16.513 -1.485 1.527 1.00 0.00 O ATOM 275 CB PHE A 26 17.801 1.145 -0.545 1.00 0.00 C ATOM 276 CG PHE A 26 16.705 0.755 -1.545 1.00 0.00 C ATOM 277 CD1 PHE A 26 16.937 -0.196 -2.520 1.00 0.00 C ATOM 278 CD2 PHE A 26 15.472 1.381 -1.503 1.00 0.00 C ATOM 279 CE1 PHE A 26 15.950 -0.511 -3.433 1.00 0.00 C ATOM 280 CE2 PHE A 26 14.488 1.060 -2.416 1.00 0.00 C ATOM 281 CZ PHE A 26 14.728 0.116 -3.375 1.00 0.00 C ATOM 0 H PHE A 26 19.639 -1.247 -0.097 1.00 0.00 H new ATOM 0 HA PHE A 26 18.753 0.441 1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 26 17.520 2.070 -0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 26 18.728 1.344 -1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 26 17.894 -0.695 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 26 15.277 2.128 -0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.139 -1.252 -4.195 1.00 0.00 H new ATOM 0 HE2 PHE A 26 13.529 1.554 -2.373 1.00 0.00 H new ATOM 0 HZ PHE A 26 13.957 -0.137 -4.088 1.00 0.00 H new ATOM 291 N LYS A 27 15.926 0.615 1.541 1.00 0.00 N ATOM 292 CA LYS A 27 14.661 0.259 2.245 1.00 0.00 C ATOM 293 C LYS A 27 13.813 1.503 2.495 1.00 0.00 C ATOM 294 O LYS A 27 14.315 2.606 2.586 1.00 0.00 O ATOM 295 CB LYS A 27 14.996 -0.402 3.585 1.00 0.00 C ATOM 296 CG LYS A 27 14.130 -1.650 3.769 1.00 0.00 C ATOM 297 CD LYS A 27 14.875 -2.662 4.642 1.00 0.00 C ATOM 298 CE LYS A 27 13.863 -3.529 5.395 1.00 0.00 C ATOM 299 NZ LYS A 27 13.972 -4.939 4.927 1.00 0.00 N ATOM 0 H LYS A 27 16.063 1.607 1.348 1.00 0.00 H new ATOM 0 HA LYS A 27 14.095 -0.430 1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.052 -0.671 3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.822 0.298 4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.181 -1.382 4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.898 -2.091 2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.518 -3.289 4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.522 -2.142 5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.049 -3.475 6.468 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.853 -3.156 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.285 -5.529 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.774 -4.982 3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.933 -5.292 5.109 1.00 0.00 H new ATOM 313 N LYS A 28 12.525 1.326 2.609 1.00 0.00 N ATOM 314 CA LYS A 28 11.626 2.485 2.853 1.00 0.00 C ATOM 315 C LYS A 28 12.080 3.214 4.119 1.00 0.00 C ATOM 316 O LYS A 28 11.810 2.787 5.225 1.00 0.00 O ATOM 317 CB LYS A 28 10.188 1.974 3.020 1.00 0.00 C ATOM 318 CG LYS A 28 9.332 3.034 3.721 1.00 0.00 C ATOM 319 CD LYS A 28 8.979 2.551 5.129 1.00 0.00 C ATOM 320 CE LYS A 28 8.493 3.734 5.968 1.00 0.00 C ATOM 321 NZ LYS A 28 7.144 4.156 5.497 1.00 0.00 N ATOM 0 H LYS A 28 12.056 0.423 2.543 1.00 0.00 H new ATOM 0 HA LYS A 28 11.664 3.177 2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.762 1.738 2.045 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.186 1.052 3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.874 3.978 3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.423 3.219 3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.205 1.785 5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.851 2.093 5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.451 3.454 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.195 4.564 5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.784 4.915 6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.211 4.503 4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.494 3.345 5.533 1.00 0.00 H new ATOM 335 N GLY A 29 12.767 4.311 3.966 1.00 0.00 N ATOM 336 CA GLY A 29 13.240 5.070 5.156 1.00 0.00 C ATOM 337 C GLY A 29 14.641 5.620 4.880 1.00 0.00 C ATOM 338 O GLY A 29 14.969 6.729 5.252 1.00 0.00 O ATOM 0 H GLY A 29 13.022 4.716 3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.553 5.887 5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.257 4.422 6.032 1.00 0.00 H new ATOM 342 N GLU A 30 15.469 4.851 4.226 1.00 0.00 N ATOM 343 CA GLU A 30 16.848 5.326 3.922 1.00 0.00 C ATOM 344 C GLU A 30 16.778 6.462 2.900 1.00 0.00 C ATOM 345 O GLU A 30 16.038 6.401 1.938 1.00 0.00 O ATOM 346 CB GLU A 30 17.668 4.170 3.345 1.00 0.00 C ATOM 347 CG GLU A 30 18.649 3.661 4.404 1.00 0.00 C ATOM 348 CD GLU A 30 18.521 2.142 4.527 1.00 0.00 C ATOM 349 OE1 GLU A 30 18.719 1.467 3.531 1.00 0.00 O ATOM 350 OE2 GLU A 30 18.227 1.679 5.617 1.00 0.00 O ATOM 0 H GLU A 30 15.249 3.914 3.889 1.00 0.00 H new ATOM 0 HA GLU A 30 17.321 5.686 4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.007 3.363 3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.211 4.502 2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.669 3.930 4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.442 4.133 5.364 1.00 0.00 H new ATOM 357 N ARG A 31 17.544 7.500 3.099 1.00 0.00 N ATOM 358 CA ARG A 31 17.518 8.639 2.138 1.00 0.00 C ATOM 359 C ARG A 31 18.510 8.374 1.002 1.00 0.00 C ATOM 360 O ARG A 31 19.709 8.370 1.199 1.00 0.00 O ATOM 361 CB ARG A 31 17.903 9.928 2.868 1.00 0.00 C ATOM 362 CG ARG A 31 16.891 10.200 3.984 1.00 0.00 C ATOM 363 CD ARG A 31 17.278 11.481 4.724 1.00 0.00 C ATOM 364 NE ARG A 31 16.161 11.895 5.618 1.00 0.00 N ATOM 365 CZ ARG A 31 14.925 11.792 5.209 1.00 0.00 C ATOM 366 NH1 ARG A 31 14.475 12.597 4.287 1.00 0.00 N ATOM 367 NH2 ARG A 31 14.139 10.887 5.724 1.00 0.00 N ATOM 0 H ARG A 31 18.186 7.608 3.884 1.00 0.00 H new ATOM 0 HA ARG A 31 16.516 8.743 1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 31 18.906 9.837 3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 31 17.923 10.764 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.890 10.298 3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 31 16.865 9.360 4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 31 18.184 11.317 5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 31 17.499 12.274 4.009 1.00 0.00 H new ATOM 0 HE ARG A 31 16.361 12.259 6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 31 15.088 13.306 3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.510 12.517 3.967 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.490 10.259 6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.174 10.808 5.404 1.00 0.00 H new ATOM 381 N LEU A 32 18.018 8.154 -0.187 1.00 0.00 N ATOM 382 CA LEU A 32 18.930 7.889 -1.336 1.00 0.00 C ATOM 383 C LEU A 32 18.817 9.034 -2.346 1.00 0.00 C ATOM 384 O LEU A 32 17.775 9.640 -2.496 1.00 0.00 O ATOM 385 CB LEU A 32 18.537 6.574 -2.015 1.00 0.00 C ATOM 386 CG LEU A 32 17.941 5.617 -0.978 1.00 0.00 C ATOM 387 CD1 LEU A 32 16.415 5.736 -0.989 1.00 0.00 C ATOM 388 CD2 LEU A 32 18.342 4.180 -1.319 1.00 0.00 C ATOM 0 H LEU A 32 17.023 8.146 -0.412 1.00 0.00 H new ATOM 0 HA LEU A 32 19.956 7.816 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 32 17.813 6.765 -2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.410 6.120 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 32 18.318 5.875 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.992 5.055 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.128 6.759 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.037 5.479 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.918 3.499 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.966 3.922 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.429 4.094 -1.310 1.00 0.00 H new ATOM 400 N GLN A 33 19.881 9.336 -3.041 1.00 0.00 N ATOM 401 CA GLN A 33 19.828 10.441 -4.039 1.00 0.00 C ATOM 402 C GLN A 33 19.999 9.866 -5.447 1.00 0.00 C ATOM 403 O GLN A 33 21.040 9.342 -5.792 1.00 0.00 O ATOM 404 CB GLN A 33 20.954 11.439 -3.756 1.00 0.00 C ATOM 405 CG GLN A 33 20.526 12.383 -2.630 1.00 0.00 C ATOM 406 CD GLN A 33 20.891 13.822 -3.003 1.00 0.00 C ATOM 407 OE1 GLN A 33 21.658 14.049 -3.918 1.00 0.00 O ATOM 408 NE2 GLN A 33 20.372 14.810 -2.327 1.00 0.00 N ATOM 0 H GLN A 33 20.783 8.866 -2.960 1.00 0.00 H new ATOM 0 HA GLN A 33 18.866 10.948 -3.968 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.863 10.908 -3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 33 21.184 12.009 -4.656 1.00 0.00 H new ATOM 0 HG2 GLN A 33 19.452 12.301 -2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.018 12.102 -1.699 1.00 0.00 H new ATOM 0 HE21 GLN A 33 19.728 14.620 -1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 33 20.610 15.772 -2.567 1.00 0.00 H new ATOM 417 N ILE A 34 18.984 9.961 -6.264 1.00 0.00 N ATOM 418 CA ILE A 34 19.086 9.420 -7.650 1.00 0.00 C ATOM 419 C ILE A 34 20.446 9.792 -8.246 1.00 0.00 C ATOM 420 O ILE A 34 20.964 10.866 -8.009 1.00 0.00 O ATOM 421 CB ILE A 34 17.969 10.013 -8.515 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.622 9.832 -7.812 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.937 9.295 -9.866 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.477 8.379 -7.357 1.00 0.00 C ATOM 0 H ILE A 34 18.088 10.390 -6.031 1.00 0.00 H new ATOM 0 HA ILE A 34 18.987 8.335 -7.623 1.00 0.00 H new ATOM 0 HB ILE A 34 18.157 11.076 -8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.554 10.502 -6.955 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.808 10.096 -8.488 1.00 0.00 H new ATOM 0 HG21 ILE A 34 17.143 9.716 -10.483 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.895 9.425 -10.370 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.750 8.233 -9.709 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.518 8.249 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.526 7.720 -8.224 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.283 8.132 -6.667 1.00 0.00 H new ATOM 436 N VAL A 35 21.028 8.915 -9.018 1.00 0.00 N ATOM 437 CA VAL A 35 22.353 9.225 -9.625 1.00 0.00 C ATOM 438 C VAL A 35 22.215 9.335 -11.143 1.00 0.00 C ATOM 439 O VAL A 35 22.913 10.095 -11.785 1.00 0.00 O ATOM 440 CB VAL A 35 23.346 8.110 -9.284 1.00 0.00 C ATOM 441 CG1 VAL A 35 24.706 8.432 -9.910 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.496 8.007 -7.765 1.00 0.00 C ATOM 0 H VAL A 35 20.644 8.000 -9.254 1.00 0.00 H new ATOM 0 HA VAL A 35 22.716 10.172 -9.227 1.00 0.00 H new ATOM 0 HB VAL A 35 22.978 7.162 -9.677 1.00 0.00 H new ATOM 0 HG11 VAL A 35 25.414 7.640 -9.669 1.00 0.00 H new ATOM 0 HG12 VAL A 35 24.600 8.506 -10.992 1.00 0.00 H new ATOM 0 HG13 VAL A 35 25.073 9.379 -9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.203 7.213 -7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.864 8.954 -7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.528 7.780 -7.318 1.00 0.00 H new ATOM 452 N ASN A 36 21.319 8.588 -11.726 1.00 0.00 N ATOM 453 CA ASN A 36 21.147 8.659 -13.206 1.00 0.00 C ATOM 454 C ASN A 36 19.774 8.106 -13.598 1.00 0.00 C ATOM 455 O ASN A 36 18.982 7.729 -12.759 1.00 0.00 O ATOM 456 CB ASN A 36 22.239 7.824 -13.881 1.00 0.00 C ATOM 457 CG ASN A 36 22.985 8.684 -14.903 1.00 0.00 C ATOM 458 OD1 ASN A 36 22.440 9.636 -15.426 1.00 0.00 O ATOM 459 ND2 ASN A 36 24.218 8.387 -15.211 1.00 0.00 N ATOM 0 H ASN A 36 20.701 7.934 -11.246 1.00 0.00 H new ATOM 0 HA ASN A 36 21.221 9.698 -13.528 1.00 0.00 H new ATOM 0 HB2 ASN A 36 22.935 7.444 -13.133 1.00 0.00 H new ATOM 0 HB3 ASN A 36 21.797 6.958 -14.373 1.00 0.00 H new ATOM 0 HD21 ASN A 36 24.725 8.954 -15.891 1.00 0.00 H new ATOM 0 HD22 ASN A 36 24.675 7.588 -14.772 1.00 0.00 H new ATOM 466 N ASN A 37 19.488 8.063 -14.872 1.00 0.00 N ATOM 467 CA ASN A 37 18.170 7.537 -15.329 1.00 0.00 C ATOM 468 C ASN A 37 17.036 8.394 -14.761 1.00 0.00 C ATOM 469 O ASN A 37 16.661 8.264 -13.613 1.00 0.00 O ATOM 470 CB ASN A 37 18.008 6.096 -14.846 1.00 0.00 C ATOM 471 CG ASN A 37 19.182 5.246 -15.343 1.00 0.00 C ATOM 472 OD1 ASN A 37 19.955 5.701 -16.294 1.00 0.00 O flip ATOM 473 ND2 ASN A 37 19.397 4.152 -14.861 1.00 0.00 N flip ATOM 0 H ASN A 37 20.113 8.371 -15.617 1.00 0.00 H new ATOM 0 HA ASN A 37 18.129 7.570 -16.418 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.964 6.071 -13.757 1.00 0.00 H new ATOM 0 HB3 ASN A 37 17.068 5.684 -15.212 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.795 3.795 -14.119 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.179 3.591 -15.198 1.00 0.00 H new ATOM 480 N THR A 38 16.486 9.270 -15.558 1.00 0.00 N ATOM 481 CA THR A 38 15.375 10.134 -15.065 1.00 0.00 C ATOM 482 C THR A 38 14.037 9.445 -15.342 1.00 0.00 C ATOM 483 O THR A 38 13.111 9.524 -14.560 1.00 0.00 O ATOM 484 CB THR A 38 15.413 11.482 -15.786 1.00 0.00 C ATOM 485 OG1 THR A 38 14.162 12.138 -15.630 1.00 0.00 O ATOM 486 CG2 THR A 38 15.692 11.259 -17.273 1.00 0.00 C ATOM 0 H THR A 38 16.758 9.425 -16.529 1.00 0.00 H new ATOM 0 HA THR A 38 15.489 10.295 -13.993 1.00 0.00 H new ATOM 0 HB THR A 38 16.203 12.100 -15.359 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.186 13.003 -16.091 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.719 12.220 -17.786 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.652 10.757 -17.392 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.904 10.640 -17.702 1.00 0.00 H new ATOM 494 N GLU A 39 13.931 8.771 -16.454 1.00 0.00 N ATOM 495 CA GLU A 39 12.660 8.075 -16.793 1.00 0.00 C ATOM 496 C GLU A 39 12.342 7.041 -15.714 1.00 0.00 C ATOM 497 O GLU A 39 12.904 7.056 -14.639 1.00 0.00 O ATOM 498 CB GLU A 39 12.816 7.374 -18.143 1.00 0.00 C ATOM 499 CG GLU A 39 13.629 8.259 -19.091 1.00 0.00 C ATOM 500 CD GLU A 39 13.360 7.840 -20.537 1.00 0.00 C ATOM 501 OE1 GLU A 39 14.064 6.970 -21.022 1.00 0.00 O ATOM 502 OE2 GLU A 39 12.452 8.394 -21.134 1.00 0.00 O ATOM 0 H GLU A 39 14.675 8.673 -17.145 1.00 0.00 H new ATOM 0 HA GLU A 39 11.848 8.800 -16.849 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.314 6.413 -18.010 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.836 7.168 -18.573 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.360 9.306 -18.949 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.692 8.170 -18.867 1.00 0.00 H new ATOM 509 N GLY A 40 11.435 6.148 -15.994 1.00 0.00 N ATOM 510 CA GLY A 40 11.075 5.108 -14.988 1.00 0.00 C ATOM 511 C GLY A 40 11.727 3.780 -15.382 1.00 0.00 C ATOM 512 O GLY A 40 11.287 3.108 -16.294 1.00 0.00 O ATOM 0 H GLY A 40 10.926 6.092 -16.876 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.411 5.412 -13.997 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.992 4.994 -14.936 1.00 0.00 H new ATOM 516 N ASP A 41 12.772 3.396 -14.702 1.00 0.00 N ATOM 517 CA ASP A 41 13.450 2.114 -15.038 1.00 0.00 C ATOM 518 C ASP A 41 14.261 1.633 -13.827 1.00 0.00 C ATOM 519 O ASP A 41 13.711 1.187 -12.840 1.00 0.00 O ATOM 520 CB ASP A 41 14.384 2.342 -16.226 1.00 0.00 C ATOM 521 CG ASP A 41 13.568 2.791 -17.440 1.00 0.00 C ATOM 522 OD1 ASP A 41 13.044 1.931 -18.129 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.482 3.988 -17.663 1.00 0.00 O ATOM 0 H ASP A 41 13.185 3.916 -13.928 1.00 0.00 H new ATOM 0 HA ASP A 41 12.708 1.358 -15.295 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.129 3.097 -15.976 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.925 1.425 -16.458 1.00 0.00 H new ATOM 528 N TRP A 42 15.564 1.719 -13.892 1.00 0.00 N ATOM 529 CA TRP A 42 16.404 1.269 -12.752 1.00 0.00 C ATOM 530 C TRP A 42 17.489 2.310 -12.520 1.00 0.00 C ATOM 531 O TRP A 42 18.603 2.186 -12.990 1.00 0.00 O ATOM 532 CB TRP A 42 17.030 -0.082 -13.085 1.00 0.00 C ATOM 533 CG TRP A 42 15.914 -1.116 -13.190 1.00 0.00 C ATOM 534 CD1 TRP A 42 15.030 -1.190 -14.198 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.634 -2.032 -12.270 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.221 -2.183 -13.831 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.524 -2.766 -12.640 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.277 -2.300 -11.079 1.00 0.00 C ATOM 539 CZ2 TRP A 42 14.056 -3.767 -11.813 1.00 0.00 C ATOM 540 CZ3 TRP A 42 15.809 -3.301 -10.253 1.00 0.00 C ATOM 541 CH2 TRP A 42 14.698 -4.035 -10.620 1.00 0.00 C ATOM 0 H TRP A 42 16.081 2.084 -14.692 1.00 0.00 H new ATOM 0 HA TRP A 42 15.800 1.159 -11.851 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.582 -0.023 -14.023 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.743 -0.370 -12.313 1.00 0.00 H new ATOM 0 HD1 TRP A 42 14.985 -0.588 -15.093 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.431 -2.484 -14.402 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.146 -1.726 -10.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.187 -4.341 -12.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.311 -3.511 -9.320 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.331 -4.819 -9.974 1.00 0.00 H new ATOM 552 N TRP A 43 17.166 3.339 -11.797 1.00 0.00 N ATOM 553 CA TRP A 43 18.160 4.405 -11.523 1.00 0.00 C ATOM 554 C TRP A 43 19.108 3.968 -10.408 1.00 0.00 C ATOM 555 O TRP A 43 18.760 3.182 -9.544 1.00 0.00 O ATOM 556 CB TRP A 43 17.418 5.670 -11.099 1.00 0.00 C ATOM 557 CG TRP A 43 16.082 5.757 -11.850 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.865 5.307 -13.104 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.975 6.322 -11.373 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.598 5.641 -13.339 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.967 6.274 -12.318 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.732 6.896 -10.139 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.724 6.800 -12.032 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.488 7.421 -9.854 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.484 7.374 -10.801 1.00 0.00 C ATOM 0 H TRP A 43 16.247 3.489 -11.380 1.00 0.00 H new ATOM 0 HA TRP A 43 18.745 4.598 -12.422 1.00 0.00 H new ATOM 0 HB2 TRP A 43 17.242 5.658 -10.023 1.00 0.00 H new ATOM 0 HB3 TRP A 43 18.025 6.549 -11.313 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.555 4.797 -13.760 1.00 0.00 H new ATOM 0 HE1 TRP A 43 14.134 5.436 -14.224 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.516 6.934 -9.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.939 6.762 -12.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.299 7.869 -8.890 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.511 7.787 -10.578 1.00 0.00 H new ATOM 576 N LEU A 44 20.308 4.479 -10.423 1.00 0.00 N ATOM 577 CA LEU A 44 21.296 4.109 -9.375 1.00 0.00 C ATOM 578 C LEU A 44 21.216 5.118 -8.230 1.00 0.00 C ATOM 579 O LEU A 44 21.664 6.240 -8.347 1.00 0.00 O ATOM 580 CB LEU A 44 22.704 4.127 -9.971 1.00 0.00 C ATOM 581 CG LEU A 44 23.726 3.921 -8.855 1.00 0.00 C ATOM 582 CD1 LEU A 44 23.630 2.485 -8.343 1.00 0.00 C ATOM 583 CD2 LEU A 44 25.134 4.181 -9.394 1.00 0.00 C ATOM 0 H LEU A 44 20.647 5.141 -11.121 1.00 0.00 H new ATOM 0 HA LEU A 44 21.075 3.110 -9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.804 3.342 -10.721 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.886 5.076 -10.476 1.00 0.00 H new ATOM 0 HG LEU A 44 23.521 4.614 -8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 44 24.358 2.333 -7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 44 22.627 2.302 -7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 44 23.837 1.793 -9.159 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.862 4.034 -8.596 1.00 0.00 H new ATOM 0 HD22 LEU A 44 25.345 3.490 -10.210 1.00 0.00 H new ATOM 0 HD23 LEU A 44 25.200 5.205 -9.760 1.00 0.00 H new ATOM 595 N ALA A 45 20.651 4.730 -7.125 1.00 0.00 N ATOM 596 CA ALA A 45 20.547 5.672 -5.978 1.00 0.00 C ATOM 597 C ALA A 45 21.877 5.705 -5.224 1.00 0.00 C ATOM 598 O ALA A 45 22.586 4.719 -5.149 1.00 0.00 O ATOM 599 CB ALA A 45 19.436 5.210 -5.035 1.00 0.00 C ATOM 0 H ALA A 45 20.257 3.803 -6.965 1.00 0.00 H new ATOM 0 HA ALA A 45 20.314 6.670 -6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.361 5.901 -4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.488 5.188 -5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 45 19.666 4.211 -4.664 1.00 0.00 H new ATOM 605 N HIS A 46 22.221 6.832 -4.665 1.00 0.00 N ATOM 606 CA HIS A 46 23.503 6.934 -3.915 1.00 0.00 C ATOM 607 C HIS A 46 23.298 7.815 -2.680 1.00 0.00 C ATOM 608 O HIS A 46 23.009 8.991 -2.785 1.00 0.00 O ATOM 609 CB HIS A 46 24.571 7.555 -4.820 1.00 0.00 C ATOM 610 CG HIS A 46 25.774 7.985 -3.979 1.00 0.00 C ATOM 611 ND1 HIS A 46 26.110 9.233 -3.486 1.00 0.00 N flip ATOM 612 CD2 HIS A 46 26.701 7.217 -3.584 1.00 0.00 C flip ATOM 613 CE1 HIS A 46 27.258 9.151 -2.797 1.00 0.00 C flip ATOM 614 NE2 HIS A 46 27.566 7.868 -2.901 1.00 0.00 N flip ATOM 0 H HIS A 46 21.668 7.688 -4.696 1.00 0.00 H new ATOM 0 HA HIS A 46 23.827 5.941 -3.602 1.00 0.00 H new ATOM 0 HB2 HIS A 46 24.883 6.835 -5.577 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.159 8.415 -5.348 1.00 0.00 H new ATOM 0 HD2 HIS A 46 26.754 6.159 -3.795 1.00 0.00 H new ATOM 0 HE1 HIS A 46 27.796 9.935 -2.286 1.00 0.00 H new ATOM 0 HE2 HIS A 46 28.397 7.447 -2.485 1.00 0.00 H new ATOM 622 N SER A 47 23.444 7.256 -1.510 1.00 0.00 N ATOM 623 CA SER A 47 23.257 8.061 -0.269 1.00 0.00 C ATOM 624 C SER A 47 24.436 9.021 -0.099 1.00 0.00 C ATOM 625 O SER A 47 25.583 8.643 -0.239 1.00 0.00 O ATOM 626 CB SER A 47 23.184 7.125 0.938 1.00 0.00 C ATOM 627 OG SER A 47 21.855 6.649 1.091 1.00 0.00 O ATOM 0 H SER A 47 23.685 6.276 -1.359 1.00 0.00 H new ATOM 0 HA SER A 47 22.332 8.633 -0.343 1.00 0.00 H new ATOM 0 HB2 SER A 47 23.868 6.287 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.499 7.652 1.839 1.00 0.00 H new ATOM 0 HG SER A 47 21.236 7.408 1.109 1.00 0.00 H new ATOM 633 N LEU A 48 24.164 10.263 0.200 1.00 0.00 N ATOM 634 CA LEU A 48 25.269 11.245 0.379 1.00 0.00 C ATOM 635 C LEU A 48 25.853 11.100 1.785 1.00 0.00 C ATOM 636 O LEU A 48 26.992 11.444 2.033 1.00 0.00 O ATOM 637 CB LEU A 48 24.726 12.664 0.197 1.00 0.00 C ATOM 638 CG LEU A 48 24.175 12.819 -1.222 1.00 0.00 C ATOM 639 CD1 LEU A 48 23.897 14.298 -1.503 1.00 0.00 C ATOM 640 CD2 LEU A 48 25.201 12.292 -2.227 1.00 0.00 C ATOM 0 H LEU A 48 23.224 10.639 0.328 1.00 0.00 H new ATOM 0 HA LEU A 48 26.047 11.057 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.941 12.861 0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 48 25.517 13.393 0.374 1.00 0.00 H new ATOM 0 HG LEU A 48 23.249 12.252 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 48 23.504 14.409 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 48 23.166 14.673 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 48 24.822 14.866 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.809 12.402 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.127 12.859 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.399 11.239 -2.027 1.00 0.00 H new ATOM 652 N THR A 49 25.082 10.592 2.706 1.00 0.00 N ATOM 653 CA THR A 49 25.592 10.425 4.095 1.00 0.00 C ATOM 654 C THR A 49 26.659 9.330 4.116 1.00 0.00 C ATOM 655 O THR A 49 27.815 9.581 4.395 1.00 0.00 O ATOM 656 CB THR A 49 24.438 10.028 5.019 1.00 0.00 C ATOM 657 OG1 THR A 49 23.500 11.093 5.085 1.00 0.00 O ATOM 658 CG2 THR A 49 24.980 9.734 6.418 1.00 0.00 C ATOM 0 H THR A 49 24.121 10.285 2.557 1.00 0.00 H new ATOM 0 HA THR A 49 26.026 11.364 4.438 1.00 0.00 H new ATOM 0 HB THR A 49 23.948 9.136 4.628 1.00 0.00 H new ATOM 0 HG1 THR A 49 22.759 10.840 5.675 1.00 0.00 H new ATOM 0 HG21 THR A 49 24.157 9.451 7.075 1.00 0.00 H new ATOM 0 HG22 THR A 49 25.699 8.917 6.365 1.00 0.00 H new ATOM 0 HG23 THR A 49 25.470 10.624 6.813 1.00 0.00 H new ATOM 666 N THR A 50 26.283 8.115 3.823 1.00 0.00 N ATOM 667 CA THR A 50 27.277 7.006 3.827 1.00 0.00 C ATOM 668 C THR A 50 28.038 7.001 2.498 1.00 0.00 C ATOM 669 O THR A 50 29.225 6.746 2.453 1.00 0.00 O ATOM 670 CB THR A 50 26.551 5.670 4.006 1.00 0.00 C ATOM 671 OG1 THR A 50 25.600 5.789 5.055 1.00 0.00 O ATOM 672 CG2 THR A 50 27.564 4.579 4.353 1.00 0.00 C ATOM 0 H THR A 50 25.330 7.843 3.581 1.00 0.00 H new ATOM 0 HA THR A 50 27.979 7.149 4.648 1.00 0.00 H new ATOM 0 HB THR A 50 26.041 5.405 3.080 1.00 0.00 H new ATOM 0 HG1 THR A 50 25.132 4.936 5.171 1.00 0.00 H new ATOM 0 HG21 THR A 50 27.046 3.629 4.480 1.00 0.00 H new ATOM 0 HG22 THR A 50 28.293 4.490 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 50 28.076 4.840 5.279 1.00 0.00 H new ATOM 680 N GLY A 51 27.363 7.280 1.417 1.00 0.00 N ATOM 681 CA GLY A 51 28.048 7.290 0.093 1.00 0.00 C ATOM 682 C GLY A 51 27.979 5.895 -0.529 1.00 0.00 C ATOM 683 O GLY A 51 28.786 5.536 -1.365 1.00 0.00 O ATOM 0 H GLY A 51 26.368 7.501 1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 51 27.576 8.018 -0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 51 29.088 7.595 0.212 1.00 0.00 H new ATOM 687 N GLN A 52 27.021 5.103 -0.131 1.00 0.00 N ATOM 688 CA GLN A 52 26.902 3.732 -0.700 1.00 0.00 C ATOM 689 C GLN A 52 26.002 3.766 -1.938 1.00 0.00 C ATOM 690 O GLN A 52 25.203 4.664 -2.112 1.00 0.00 O ATOM 691 CB GLN A 52 26.292 2.795 0.345 1.00 0.00 C ATOM 692 CG GLN A 52 27.389 2.297 1.288 1.00 0.00 C ATOM 693 CD GLN A 52 26.771 1.389 2.354 1.00 0.00 C ATOM 694 OE1 GLN A 52 27.134 0.235 2.470 1.00 0.00 O ATOM 695 NE2 GLN A 52 25.846 1.865 3.143 1.00 0.00 N ATOM 0 H GLN A 52 26.316 5.347 0.564 1.00 0.00 H new ATOM 0 HA GLN A 52 27.892 3.371 -0.980 1.00 0.00 H new ATOM 0 HB2 GLN A 52 25.521 3.318 0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 52 25.809 1.950 -0.146 1.00 0.00 H new ATOM 0 HG2 GLN A 52 28.147 1.752 0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 52 27.889 3.143 1.760 1.00 0.00 H new ATOM 0 HE21 GLN A 52 25.541 2.834 3.046 1.00 0.00 H new ATOM 0 HE22 GLN A 52 25.428 1.268 3.857 1.00 0.00 H new ATOM 704 N THR A 53 26.126 2.793 -2.798 1.00 0.00 N ATOM 705 CA THR A 53 25.279 2.767 -4.025 1.00 0.00 C ATOM 706 C THR A 53 23.892 2.231 -3.666 1.00 0.00 C ATOM 707 O THR A 53 23.635 1.866 -2.538 1.00 0.00 O ATOM 708 CB THR A 53 25.925 1.850 -5.067 1.00 0.00 C ATOM 709 OG1 THR A 53 27.258 1.554 -4.673 1.00 0.00 O ATOM 710 CG2 THR A 53 25.935 2.546 -6.428 1.00 0.00 C ATOM 0 H THR A 53 26.778 2.014 -2.704 1.00 0.00 H new ATOM 0 HA THR A 53 25.189 3.774 -4.432 1.00 0.00 H new ATOM 0 HB THR A 53 25.353 0.925 -5.141 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.673 0.966 -5.338 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.395 1.891 -7.168 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.912 2.771 -6.729 1.00 0.00 H new ATOM 0 HG23 THR A 53 26.505 3.473 -6.359 1.00 0.00 H new ATOM 718 N GLY A 54 22.990 2.189 -4.609 1.00 0.00 N ATOM 719 CA GLY A 54 21.627 1.673 -4.298 1.00 0.00 C ATOM 720 C GLY A 54 20.797 1.550 -5.579 1.00 0.00 C ATOM 721 O GLY A 54 19.816 2.240 -5.755 1.00 0.00 O ATOM 0 H GLY A 54 23.136 2.487 -5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 54 21.702 0.701 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.129 2.343 -3.597 1.00 0.00 H new ATOM 725 N TYR A 55 21.182 0.685 -6.480 1.00 0.00 N ATOM 726 CA TYR A 55 20.399 0.533 -7.739 1.00 0.00 C ATOM 727 C TYR A 55 18.981 0.075 -7.395 1.00 0.00 C ATOM 728 O TYR A 55 18.753 -1.085 -7.115 1.00 0.00 O ATOM 729 CB TYR A 55 21.054 -0.530 -8.624 1.00 0.00 C ATOM 730 CG TYR A 55 21.783 0.139 -9.787 1.00 0.00 C ATOM 731 CD1 TYR A 55 21.078 0.717 -10.824 1.00 0.00 C ATOM 732 CD2 TYR A 55 23.159 0.164 -9.820 1.00 0.00 C ATOM 733 CE1 TYR A 55 21.743 1.311 -11.877 1.00 0.00 C ATOM 734 CE2 TYR A 55 23.826 0.757 -10.872 1.00 0.00 C ATOM 735 CZ TYR A 55 23.122 1.336 -11.909 1.00 0.00 C ATOM 736 OH TYR A 55 23.788 1.930 -12.962 1.00 0.00 O ATOM 0 H TYR A 55 22.000 0.081 -6.399 1.00 0.00 H new ATOM 0 HA TYR A 55 20.371 1.487 -8.265 1.00 0.00 H new ATOM 0 HB2 TYR A 55 21.755 -1.123 -8.037 1.00 0.00 H new ATOM 0 HB3 TYR A 55 20.297 -1.216 -9.004 1.00 0.00 H new ATOM 0 HD1 TYR A 55 19.998 0.704 -10.811 1.00 0.00 H new ATOM 0 HD2 TYR A 55 23.722 -0.285 -9.015 1.00 0.00 H new ATOM 0 HE1 TYR A 55 21.180 1.760 -12.682 1.00 0.00 H new ATOM 0 HE2 TYR A 55 24.906 0.768 -10.884 1.00 0.00 H new ATOM 0 HH TYR A 55 24.755 1.857 -12.820 1.00 0.00 H new ATOM 746 N ILE A 56 18.022 0.960 -7.413 1.00 0.00 N ATOM 747 CA ILE A 56 16.635 0.526 -7.080 1.00 0.00 C ATOM 748 C ILE A 56 15.727 0.711 -8.297 1.00 0.00 C ATOM 749 O ILE A 56 15.995 1.530 -9.153 1.00 0.00 O ATOM 750 CB ILE A 56 16.070 1.323 -5.885 1.00 0.00 C ATOM 751 CG1 ILE A 56 15.509 2.693 -6.326 1.00 0.00 C ATOM 752 CG2 ILE A 56 17.157 1.516 -4.811 1.00 0.00 C ATOM 753 CD1 ILE A 56 16.615 3.747 -6.357 1.00 0.00 C ATOM 0 H ILE A 56 18.134 1.948 -7.640 1.00 0.00 H new ATOM 0 HA ILE A 56 16.668 -0.527 -6.802 1.00 0.00 H new ATOM 0 HB ILE A 56 15.246 0.747 -5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 56 15.056 2.605 -7.314 1.00 0.00 H new ATOM 0 HG13 ILE A 56 14.721 3.006 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.745 2.080 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 56 17.499 0.542 -4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 56 17.998 2.063 -5.238 1.00 0.00 H new ATOM 0 HD11 ILE A 56 16.197 4.704 -6.670 1.00 0.00 H new ATOM 0 HD12 ILE A 56 17.049 3.849 -5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 56 17.389 3.441 -7.061 1.00 0.00 H new ATOM 765 N PRO A 57 14.674 -0.066 -8.333 1.00 0.00 N ATOM 766 CA PRO A 57 13.700 -0.014 -9.435 1.00 0.00 C ATOM 767 C PRO A 57 13.034 1.366 -9.471 1.00 0.00 C ATOM 768 O PRO A 57 13.131 2.134 -8.535 1.00 0.00 O ATOM 769 CB PRO A 57 12.674 -1.106 -9.102 1.00 0.00 C ATOM 770 CG PRO A 57 13.084 -1.743 -7.747 1.00 0.00 C ATOM 771 CD PRO A 57 14.381 -1.061 -7.283 1.00 0.00 C ATOM 0 HA PRO A 57 14.157 -0.173 -10.412 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.672 -0.682 -9.037 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.651 -1.861 -9.888 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.295 -1.608 -7.007 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.236 -2.817 -7.859 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.253 -0.585 -6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.193 -1.781 -7.181 1.00 0.00 H new ATOM 779 N SER A 58 12.359 1.690 -10.540 1.00 0.00 N ATOM 780 CA SER A 58 11.693 3.021 -10.622 1.00 0.00 C ATOM 781 C SER A 58 10.339 2.965 -9.916 1.00 0.00 C ATOM 782 O SER A 58 9.659 3.962 -9.778 1.00 0.00 O ATOM 783 CB SER A 58 11.480 3.399 -12.089 1.00 0.00 C ATOM 784 OG SER A 58 11.627 2.242 -12.901 1.00 0.00 O ATOM 0 H SER A 58 12.240 1.092 -11.358 1.00 0.00 H new ATOM 0 HA SER A 58 12.325 3.766 -10.139 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.487 3.828 -12.225 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.200 4.160 -12.388 1.00 0.00 H new ATOM 0 HG SER A 58 10.934 1.589 -12.669 1.00 0.00 H new ATOM 790 N ASN A 59 9.939 1.808 -9.467 1.00 0.00 N ATOM 791 CA ASN A 59 8.629 1.696 -8.772 1.00 0.00 C ATOM 792 C ASN A 59 8.858 1.465 -7.278 1.00 0.00 C ATOM 793 O ASN A 59 7.924 1.295 -6.520 1.00 0.00 O ATOM 794 CB ASN A 59 7.842 0.521 -9.354 1.00 0.00 C ATOM 795 CG ASN A 59 8.791 -0.653 -9.603 1.00 0.00 C ATOM 796 OD1 ASN A 59 9.378 -1.181 -8.680 1.00 0.00 O ATOM 797 ND2 ASN A 59 8.967 -1.086 -10.822 1.00 0.00 N ATOM 0 H ASN A 59 10.463 0.937 -9.552 1.00 0.00 H new ATOM 0 HA ASN A 59 8.065 2.618 -8.913 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.050 0.223 -8.667 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.360 0.818 -10.286 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.598 -1.868 -10.999 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.474 -0.642 -11.597 1.00 0.00 H new ATOM 804 N TYR A 60 10.089 1.456 -6.843 1.00 0.00 N ATOM 805 CA TYR A 60 10.354 1.233 -5.393 1.00 0.00 C ATOM 806 C TYR A 60 10.909 2.506 -4.761 1.00 0.00 C ATOM 807 O TYR A 60 11.557 2.455 -3.736 1.00 0.00 O ATOM 808 CB TYR A 60 11.360 0.098 -5.209 1.00 0.00 C ATOM 809 CG TYR A 60 10.603 -1.222 -5.046 1.00 0.00 C ATOM 810 CD1 TYR A 60 9.426 -1.443 -5.733 1.00 0.00 C ATOM 811 CD2 TYR A 60 11.080 -2.208 -4.209 1.00 0.00 C ATOM 812 CE1 TYR A 60 8.738 -2.630 -5.584 1.00 0.00 C ATOM 813 CE2 TYR A 60 10.392 -3.397 -4.060 1.00 0.00 C ATOM 814 CZ TYR A 60 9.216 -3.616 -4.746 1.00 0.00 C ATOM 815 OH TYR A 60 8.529 -4.803 -4.597 1.00 0.00 O ATOM 0 H TYR A 60 10.916 1.592 -7.424 1.00 0.00 H new ATOM 0 HA TYR A 60 9.416 0.965 -4.907 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.028 0.045 -6.069 1.00 0.00 H new ATOM 0 HB3 TYR A 60 11.982 0.285 -4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.040 -0.680 -6.393 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.999 -2.050 -3.665 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.818 -2.788 -6.128 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.778 -4.161 -3.401 1.00 0.00 H new ATOM 0 HH TYR A 60 9.010 -5.383 -3.970 1.00 0.00 H new ATOM 825 N VAL A 61 10.664 3.640 -5.367 1.00 0.00 N ATOM 826 CA VAL A 61 11.176 4.925 -4.804 1.00 0.00 C ATOM 827 C VAL A 61 10.257 6.065 -5.241 1.00 0.00 C ATOM 828 O VAL A 61 9.438 5.914 -6.125 1.00 0.00 O ATOM 829 CB VAL A 61 12.600 5.192 -5.307 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.689 4.886 -6.805 1.00 0.00 C ATOM 831 CG2 VAL A 61 12.976 6.659 -5.071 1.00 0.00 C ATOM 0 H VAL A 61 10.129 3.731 -6.231 1.00 0.00 H new ATOM 0 HA VAL A 61 11.193 4.859 -3.716 1.00 0.00 H new ATOM 0 HB VAL A 61 13.289 4.549 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.703 5.078 -7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.437 3.840 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.991 5.522 -7.348 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.989 6.838 -5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.281 7.304 -5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.926 6.880 -4.005 1.00 0.00 H new ATOM 841 N ALA A 62 10.389 7.206 -4.627 1.00 0.00 N ATOM 842 CA ALA A 62 9.522 8.358 -5.006 1.00 0.00 C ATOM 843 C ALA A 62 10.044 9.637 -4.338 1.00 0.00 C ATOM 844 O ALA A 62 10.435 9.614 -3.188 1.00 0.00 O ATOM 845 CB ALA A 62 8.089 8.092 -4.542 1.00 0.00 C ATOM 0 H ALA A 62 11.058 7.392 -3.880 1.00 0.00 H new ATOM 0 HA ALA A 62 9.538 8.481 -6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.455 8.934 -4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.715 7.185 -5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.074 7.967 -3.459 1.00 0.00 H new ATOM 851 N PRO A 63 10.032 10.720 -5.081 1.00 0.00 N ATOM 852 CA PRO A 63 10.504 12.022 -4.574 1.00 0.00 C ATOM 853 C PRO A 63 9.615 12.489 -3.418 1.00 0.00 C ATOM 854 O PRO A 63 8.406 12.375 -3.466 1.00 0.00 O ATOM 855 CB PRO A 63 10.378 12.979 -5.767 1.00 0.00 C ATOM 856 CG PRO A 63 9.766 12.181 -6.948 1.00 0.00 C ATOM 857 CD PRO A 63 9.558 10.732 -6.477 1.00 0.00 C ATOM 0 HA PRO A 63 11.524 11.974 -4.194 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.745 13.829 -5.511 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.354 13.380 -6.041 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.818 12.622 -7.257 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.428 12.210 -7.813 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.509 10.441 -6.542 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.122 10.031 -7.093 1.00 0.00 H new ATOM 865 N SER A 64 10.203 13.014 -2.378 1.00 0.00 N ATOM 866 CA SER A 64 9.391 13.487 -1.223 1.00 0.00 C ATOM 867 C SER A 64 8.316 12.449 -0.894 1.00 0.00 C ATOM 868 O SER A 64 8.593 11.572 -0.092 1.00 0.00 O ATOM 869 CB SER A 64 8.723 14.817 -1.582 1.00 0.00 C ATOM 870 OG SER A 64 9.037 15.786 -0.593 1.00 0.00 O ATOM 871 OXT SER A 64 7.235 12.549 -1.450 1.00 0.00 O ATOM 0 H SER A 64 11.211 13.136 -2.279 1.00 0.00 H new ATOM 0 HA SER A 64 10.038 13.626 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.065 15.156 -2.560 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.643 14.687 -1.649 1.00 0.00 H new ATOM 0 HG SER A 64 8.611 16.638 -0.823 1.00 0.00 H new TER 877 SER A 64