USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 403 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 Single : A 1 SER N :NH3+ -117:sc= 0.148 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.377! USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.126 K(o=-0.13,f=-2.7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -140:sc= -1.74! USER MOD Single : A 16 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.1!) USER MOD Single : A 17 GLN : amide:sc= -0.0724 K(o=-0.072,f=-1.1) USER MOD Single : A 18 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.045) USER MOD Single : A 19 GLN : amide:sc= 0.742 K(o=0.74,f=-6.8!) USER MOD Single : A 20 SER OG : rot 36:sc= 0.284 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.51! F(o=-1.5,f=-0.51!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.529 F(o=-1.2,f=-0.53) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -2.7! C(o=-2.7!,f=-6.7!) USER MOD Single : A 44 HIS : no HD1:sc= -6.1! C(o=-6.1!,f=-7.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 77:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.539 -5.318 0.514 1.00 0.00 N ATOM 2 CA SER A 1 15.018 -4.838 1.816 1.00 0.00 C ATOM 3 C SER A 1 13.513 -4.617 1.730 1.00 0.00 C ATOM 4 O SER A 1 12.901 -4.883 0.715 1.00 0.00 O ATOM 5 CB SER A 1 15.685 -3.505 2.187 1.00 0.00 C ATOM 6 OG SER A 1 15.150 -3.191 3.466 1.00 0.00 O ATOM 0 H1 SER A 1 15.936 -6.272 0.630 1.00 0.00 H new ATOM 0 H2 SER A 1 14.765 -5.347 -0.180 1.00 0.00 H new ATOM 0 H3 SER A 1 16.282 -4.672 0.178 1.00 0.00 H new ATOM 0 HA SER A 1 15.239 -5.590 2.573 1.00 0.00 H new ATOM 0 HB2 SER A 1 16.770 -3.599 2.222 1.00 0.00 H new ATOM 0 HB3 SER A 1 15.455 -2.728 1.458 1.00 0.00 H new ATOM 0 HG SER A 1 15.530 -2.344 3.781 1.00 0.00 H new ATOM 14 N TYR A 2 12.946 -4.134 2.800 1.00 0.00 N ATOM 15 CA TYR A 2 11.483 -3.887 2.805 1.00 0.00 C ATOM 16 C TYR A 2 11.156 -2.532 2.214 1.00 0.00 C ATOM 17 O TYR A 2 12.006 -1.862 1.661 1.00 0.00 O ATOM 18 CB TYR A 2 10.996 -3.908 4.258 1.00 0.00 C ATOM 19 CG TYR A 2 9.736 -4.768 4.366 1.00 0.00 C ATOM 20 CD1 TYR A 2 9.822 -6.145 4.336 1.00 0.00 C ATOM 21 CD2 TYR A 2 8.496 -4.178 4.501 1.00 0.00 C ATOM 22 CE1 TYR A 2 8.685 -6.921 4.440 1.00 0.00 C ATOM 23 CE2 TYR A 2 7.359 -4.953 4.606 1.00 0.00 C ATOM 24 CZ TYR A 2 7.444 -6.329 4.576 1.00 0.00 C ATOM 25 OH TYR A 2 6.307 -7.104 4.680 1.00 0.00 O ATOM 0 H TYR A 2 13.432 -3.901 3.666 1.00 0.00 H new ATOM 0 HA TYR A 2 10.996 -4.657 2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 2 11.776 -4.305 4.908 1.00 0.00 H new ATOM 0 HB3 TYR A 2 10.786 -2.893 4.596 1.00 0.00 H new ATOM 0 HD1 TYR A 2 10.786 -6.619 4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 2 8.415 -3.101 4.525 1.00 0.00 H new ATOM 0 HE1 TYR A 2 8.766 -7.998 4.415 1.00 0.00 H new ATOM 0 HE2 TYR A 2 6.395 -4.478 4.713 1.00 0.00 H new ATOM 0 HH TYR A 2 5.523 -6.524 4.770 1.00 0.00 H new ATOM 35 N GLN A 3 9.923 -2.156 2.346 1.00 0.00 N ATOM 36 CA GLN A 3 9.493 -0.845 1.805 1.00 0.00 C ATOM 37 C GLN A 3 9.782 0.262 2.791 1.00 0.00 C ATOM 38 O GLN A 3 9.754 0.056 3.988 1.00 0.00 O ATOM 39 CB GLN A 3 7.986 -0.892 1.546 1.00 0.00 C ATOM 40 CG GLN A 3 7.736 -1.650 0.247 1.00 0.00 C ATOM 41 CD GLN A 3 7.825 -0.681 -0.934 1.00 0.00 C ATOM 42 OE1 GLN A 3 8.673 0.189 -0.976 1.00 0.00 O ATOM 43 NE2 GLN A 3 6.970 -0.795 -1.913 1.00 0.00 N ATOM 0 H GLN A 3 9.192 -2.699 2.805 1.00 0.00 H new ATOM 0 HA GLN A 3 10.040 -0.647 0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.476 -1.383 2.374 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.583 0.118 1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 3 8.469 -2.448 0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.753 -2.121 0.272 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.256 -1.523 -1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.016 -0.156 -2.707 1.00 0.00 H new ATOM 52 N VAL A 4 10.054 1.417 2.261 1.00 0.00 N ATOM 53 CA VAL A 4 10.356 2.579 3.123 1.00 0.00 C ATOM 54 C VAL A 4 9.325 3.671 2.908 1.00 0.00 C ATOM 55 O VAL A 4 9.394 4.720 3.518 1.00 0.00 O ATOM 56 CB VAL A 4 11.732 3.117 2.719 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.815 2.321 3.450 1.00 0.00 C ATOM 58 CG2 VAL A 4 11.913 2.950 1.209 1.00 0.00 C ATOM 0 H VAL A 4 10.079 1.604 1.259 1.00 0.00 H new ATOM 0 HA VAL A 4 10.341 2.277 4.170 1.00 0.00 H new ATOM 0 HB VAL A 4 11.810 4.172 2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.798 2.699 3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.681 2.428 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.739 1.268 3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.891 3.331 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.842 1.894 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.135 3.506 0.686 1.00 0.00 H new ATOM 68 N ILE A 5 8.385 3.400 2.041 1.00 0.00 N ATOM 69 CA ILE A 5 7.334 4.402 1.761 1.00 0.00 C ATOM 70 C ILE A 5 6.017 4.071 2.469 1.00 0.00 C ATOM 71 O ILE A 5 5.865 3.020 3.062 1.00 0.00 O ATOM 72 CB ILE A 5 7.083 4.405 0.262 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.851 2.982 -0.222 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.328 4.970 -0.443 1.00 0.00 C ATOM 75 CD1 ILE A 5 5.568 2.939 -1.054 1.00 0.00 C ATOM 0 H ILE A 5 8.306 2.527 1.519 1.00 0.00 H new ATOM 0 HA ILE A 5 7.676 5.371 2.125 1.00 0.00 H new ATOM 0 HB ILE A 5 6.207 5.013 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.698 2.645 -0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.771 2.304 0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.163 4.979 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.513 5.987 -0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.191 4.346 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.395 1.921 -1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.726 3.259 -0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.667 3.606 -1.911 1.00 0.00 H new ATOM 87 N CYS A 6 5.092 4.994 2.388 1.00 0.00 N ATOM 88 CA CYS A 6 3.775 4.802 3.027 1.00 0.00 C ATOM 89 C CYS A 6 2.683 5.387 2.142 1.00 0.00 C ATOM 90 O CYS A 6 2.611 6.581 1.970 1.00 0.00 O ATOM 91 CB CYS A 6 3.802 5.571 4.340 1.00 0.00 C ATOM 92 SG CYS A 6 5.398 6.241 4.843 1.00 0.00 S ATOM 0 H CYS A 6 5.205 5.881 1.897 1.00 0.00 H new ATOM 0 HA CYS A 6 3.575 3.742 3.184 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.093 6.395 4.268 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.444 4.911 5.130 1.00 0.00 H new ATOM 97 N ARG A 7 1.841 4.544 1.612 1.00 0.00 N ATOM 98 CA ARG A 7 0.760 5.056 0.741 1.00 0.00 C ATOM 99 C ARG A 7 -0.484 5.415 1.541 1.00 0.00 C ATOM 100 O ARG A 7 -1.139 4.558 2.101 1.00 0.00 O ATOM 101 CB ARG A 7 0.398 3.951 -0.257 1.00 0.00 C ATOM 102 CG ARG A 7 -0.544 4.518 -1.326 1.00 0.00 C ATOM 103 CD ARG A 7 -0.800 3.447 -2.388 1.00 0.00 C ATOM 104 NE ARG A 7 0.463 3.200 -3.145 1.00 0.00 N ATOM 105 CZ ARG A 7 0.883 1.974 -3.307 1.00 0.00 C ATOM 106 NH1 ARG A 7 1.499 1.382 -2.320 1.00 0.00 N ATOM 107 NH2 ARG A 7 0.671 1.381 -4.451 1.00 0.00 N ATOM 0 H ARG A 7 1.858 3.533 1.745 1.00 0.00 H new ATOM 0 HA ARG A 7 1.110 5.958 0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.301 3.558 -0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.081 3.120 0.261 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.485 4.829 -0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.103 5.404 -1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.143 2.525 -1.918 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.588 3.771 -3.067 1.00 0.00 H new ATOM 0 HE ARG A 7 0.993 3.981 -3.532 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.645 1.877 -1.440 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.834 0.425 -2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.185 1.875 -5.199 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.992 0.424 -4.596 1.00 0.00 H new ATOM 121 N ASP A 8 -0.782 6.687 1.579 1.00 0.00 N ATOM 122 CA ASP A 8 -1.977 7.142 2.331 1.00 0.00 C ATOM 123 C ASP A 8 -3.169 7.311 1.382 1.00 0.00 C ATOM 124 O ASP A 8 -3.126 8.108 0.459 1.00 0.00 O ATOM 125 CB ASP A 8 -1.638 8.488 2.984 1.00 0.00 C ATOM 126 CG ASP A 8 -2.683 8.820 4.045 1.00 0.00 C ATOM 127 OD1 ASP A 8 -3.827 8.495 3.795 1.00 0.00 O ATOM 128 OD2 ASP A 8 -2.275 9.379 5.050 1.00 0.00 O ATOM 0 H ASP A 8 -0.248 7.426 1.121 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.246 6.406 3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.647 8.445 3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.610 9.273 2.229 1.00 0.00 H new ATOM 133 N GLU A 9 -4.213 6.553 1.634 1.00 0.00 N ATOM 134 CA GLU A 9 -5.423 6.634 0.772 1.00 0.00 C ATOM 135 C GLU A 9 -6.376 7.747 1.203 1.00 0.00 C ATOM 136 O GLU A 9 -7.379 7.986 0.559 1.00 0.00 O ATOM 137 CB GLU A 9 -6.163 5.296 0.890 1.00 0.00 C ATOM 138 CG GLU A 9 -6.775 5.181 2.293 1.00 0.00 C ATOM 139 CD GLU A 9 -7.195 3.733 2.544 1.00 0.00 C ATOM 140 OE1 GLU A 9 -8.275 3.397 2.087 1.00 0.00 O ATOM 141 OE2 GLU A 9 -6.413 3.045 3.179 1.00 0.00 O ATOM 0 H GLU A 9 -4.273 5.884 2.401 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.104 6.849 -0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.944 5.231 0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.476 4.469 0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.052 5.497 3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.637 5.842 2.382 1.00 0.00 H new ATOM 148 N LYS A 10 -6.055 8.410 2.270 1.00 0.00 N ATOM 149 CA LYS A 10 -6.948 9.503 2.735 1.00 0.00 C ATOM 150 C LYS A 10 -6.643 10.777 1.980 1.00 0.00 C ATOM 151 O LYS A 10 -7.398 11.728 2.023 1.00 0.00 O ATOM 152 CB LYS A 10 -6.694 9.740 4.235 1.00 0.00 C ATOM 153 CG LYS A 10 -8.004 9.568 5.024 1.00 0.00 C ATOM 154 CD LYS A 10 -8.332 8.071 5.149 1.00 0.00 C ATOM 155 CE LYS A 10 -9.657 7.906 5.901 1.00 0.00 C ATOM 156 NZ LYS A 10 -9.440 8.014 7.371 1.00 0.00 N ATOM 0 H LYS A 10 -5.223 8.248 2.837 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.987 9.223 2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.945 9.038 4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.295 10.742 4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.907 10.014 6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.817 10.089 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.403 7.618 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.532 7.554 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.364 8.669 5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.099 6.939 5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.348 7.900 7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.782 7.271 7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.039 8.947 7.595 1.00 0.00 H new ATOM 170 N THR A 11 -5.536 10.770 1.301 1.00 0.00 N ATOM 171 CA THR A 11 -5.138 11.963 0.520 1.00 0.00 C ATOM 172 C THR A 11 -4.564 11.519 -0.810 1.00 0.00 C ATOM 173 O THR A 11 -4.469 12.289 -1.746 1.00 0.00 O ATOM 174 CB THR A 11 -4.071 12.738 1.300 1.00 0.00 C ATOM 175 OG1 THR A 11 -3.000 12.923 0.394 1.00 0.00 O ATOM 176 CG2 THR A 11 -3.485 11.877 2.424 1.00 0.00 C ATOM 0 H THR A 11 -4.887 9.984 1.254 1.00 0.00 H new ATOM 0 HA THR A 11 -6.005 12.601 0.349 1.00 0.00 H new ATOM 0 HB THR A 11 -4.503 13.653 1.706 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.279 13.419 0.836 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.730 12.448 2.964 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.279 11.586 3.111 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.028 10.984 1.998 1.00 0.00 H new ATOM 184 N GLN A 12 -4.191 10.264 -0.867 1.00 0.00 N ATOM 185 CA GLN A 12 -3.619 9.717 -2.117 1.00 0.00 C ATOM 186 C GLN A 12 -2.207 10.231 -2.313 1.00 0.00 C ATOM 187 O GLN A 12 -1.809 10.579 -3.409 1.00 0.00 O ATOM 188 CB GLN A 12 -4.502 10.162 -3.303 1.00 0.00 C ATOM 189 CG GLN A 12 -4.616 9.011 -4.304 1.00 0.00 C ATOM 190 CD GLN A 12 -5.318 9.512 -5.568 1.00 0.00 C ATOM 191 OE1 GLN A 12 -4.757 10.253 -6.349 1.00 0.00 O ATOM 192 NE2 GLN A 12 -6.545 9.134 -5.803 1.00 0.00 N ATOM 0 H GLN A 12 -4.262 9.601 -0.096 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.590 8.629 -2.060 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.491 10.450 -2.947 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.069 11.038 -3.786 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.626 8.628 -4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.176 8.186 -3.865 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.021 8.511 -5.150 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.028 9.461 -6.640 1.00 0.00 H new ATOM 201 N MET A 13 -1.471 10.262 -1.232 1.00 0.00 N ATOM 202 CA MET A 13 -0.073 10.749 -1.308 1.00 0.00 C ATOM 203 C MET A 13 0.868 9.803 -0.579 1.00 0.00 C ATOM 204 O MET A 13 0.575 9.345 0.509 1.00 0.00 O ATOM 205 CB MET A 13 -0.010 12.132 -0.642 1.00 0.00 C ATOM 206 CG MET A 13 1.391 12.724 -0.826 1.00 0.00 C ATOM 207 SD MET A 13 1.521 14.292 -1.720 1.00 0.00 S ATOM 208 CE MET A 13 3.279 14.588 -1.403 1.00 0.00 C ATOM 0 H MET A 13 -1.782 9.971 -0.305 1.00 0.00 H new ATOM 0 HA MET A 13 0.234 10.804 -2.353 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.757 12.793 -1.082 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.244 12.047 0.419 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.831 12.862 0.162 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.002 11.987 -1.347 1.00 0.00 H new ATOM 0 HE1 MET A 13 3.581 15.524 -1.874 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.449 14.651 -0.328 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.866 13.768 -1.816 1.00 0.00 H new ATOM 218 N ILE A 14 1.991 9.531 -1.192 1.00 0.00 N ATOM 219 CA ILE A 14 2.965 8.621 -0.558 1.00 0.00 C ATOM 220 C ILE A 14 4.049 9.402 0.173 1.00 0.00 C ATOM 221 O ILE A 14 4.437 10.471 -0.252 1.00 0.00 O ATOM 222 CB ILE A 14 3.610 7.785 -1.656 1.00 0.00 C ATOM 223 CG1 ILE A 14 2.525 7.224 -2.566 1.00 0.00 C ATOM 224 CG2 ILE A 14 4.372 6.612 -1.000 1.00 0.00 C ATOM 225 CD1 ILE A 14 3.118 6.126 -3.450 1.00 0.00 C ATOM 0 H ILE A 14 2.267 9.903 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 14 2.450 7.992 0.168 1.00 0.00 H new ATOM 0 HB ILE A 14 4.294 8.401 -2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.706 6.822 -1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.108 8.018 -3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.840 6.004 -1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.140 7.004 -0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.675 5.999 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.342 5.724 -4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.922 6.542 -4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.514 5.328 -2.822 1.00 0.00 H new ATOM 237 N TYR A 15 4.515 8.845 1.266 1.00 0.00 N ATOM 238 CA TYR A 15 5.578 9.521 2.056 1.00 0.00 C ATOM 239 C TYR A 15 6.774 8.600 2.242 1.00 0.00 C ATOM 240 O TYR A 15 6.778 7.492 1.761 1.00 0.00 O ATOM 241 CB TYR A 15 4.999 9.874 3.431 1.00 0.00 C ATOM 242 CG TYR A 15 3.728 10.700 3.233 1.00 0.00 C ATOM 243 CD1 TYR A 15 2.512 10.080 3.031 1.00 0.00 C ATOM 244 CD2 TYR A 15 3.782 12.078 3.242 1.00 0.00 C ATOM 245 CE1 TYR A 15 1.368 10.828 2.843 1.00 0.00 C ATOM 246 CE2 TYR A 15 2.639 12.825 3.055 1.00 0.00 C ATOM 247 CZ TYR A 15 1.424 12.207 2.853 1.00 0.00 C ATOM 248 OH TYR A 15 0.282 12.954 2.665 1.00 0.00 O ATOM 0 H TYR A 15 4.201 7.950 1.641 1.00 0.00 H new ATOM 0 HA TYR A 15 5.908 10.416 1.530 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.776 8.966 3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.728 10.437 4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.455 9.002 3.020 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.728 12.576 3.397 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.422 10.331 2.687 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.696 13.903 3.067 1.00 0.00 H new ATOM 0 HH TYR A 15 0.486 13.727 2.098 1.00 0.00 H new ATOM 258 N GLN A 16 7.769 9.084 2.931 1.00 0.00 N ATOM 259 CA GLN A 16 8.976 8.256 3.161 1.00 0.00 C ATOM 260 C GLN A 16 8.913 7.521 4.489 1.00 0.00 C ATOM 261 O GLN A 16 7.877 7.434 5.115 1.00 0.00 O ATOM 262 CB GLN A 16 10.189 9.192 3.182 1.00 0.00 C ATOM 263 CG GLN A 16 10.154 10.094 1.947 1.00 0.00 C ATOM 264 CD GLN A 16 11.582 10.513 1.590 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.507 9.729 1.653 1.00 0.00 O ATOM 266 NE2 GLN A 16 11.804 11.742 1.208 1.00 0.00 N ATOM 0 H GLN A 16 7.795 10.017 3.343 1.00 0.00 H new ATOM 0 HA GLN A 16 9.046 7.513 2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.180 9.797 4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.111 8.611 3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.697 9.567 1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.542 10.974 2.142 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.032 12.406 1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.749 12.038 0.965 1.00 0.00 H new ATOM 275 N GLN A 17 10.039 7.004 4.886 1.00 0.00 N ATOM 276 CA GLN A 17 10.105 6.261 6.169 1.00 0.00 C ATOM 277 C GLN A 17 10.211 7.207 7.371 1.00 0.00 C ATOM 278 O GLN A 17 10.654 8.331 7.245 1.00 0.00 O ATOM 279 CB GLN A 17 11.359 5.370 6.142 1.00 0.00 C ATOM 280 CG GLN A 17 11.116 4.137 7.019 1.00 0.00 C ATOM 281 CD GLN A 17 12.461 3.563 7.471 1.00 0.00 C ATOM 282 OE1 GLN A 17 13.381 3.418 6.691 1.00 0.00 O ATOM 283 NE2 GLN A 17 12.615 3.222 8.722 1.00 0.00 N ATOM 0 H GLN A 17 10.919 7.065 4.374 1.00 0.00 H new ATOM 0 HA GLN A 17 9.192 5.675 6.276 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.583 5.066 5.119 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.223 5.926 6.506 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.513 4.407 7.886 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.556 3.386 6.462 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.846 3.341 9.382 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.504 2.836 9.040 1.00 0.00 H new ATOM 292 N HIS A 18 9.796 6.721 8.515 1.00 0.00 N ATOM 293 CA HIS A 18 9.856 7.556 9.750 1.00 0.00 C ATOM 294 C HIS A 18 9.463 9.002 9.483 1.00 0.00 C ATOM 295 O HIS A 18 9.833 9.894 10.221 1.00 0.00 O ATOM 296 CB HIS A 18 11.292 7.508 10.293 1.00 0.00 C ATOM 297 CG HIS A 18 11.274 6.918 11.708 1.00 0.00 C ATOM 298 ND1 HIS A 18 11.927 7.363 12.674 1.00 0.00 N ATOM 299 CD2 HIS A 18 10.577 5.828 12.208 1.00 0.00 C ATOM 300 CE1 HIS A 18 11.726 6.684 13.727 1.00 0.00 C ATOM 301 NE2 HIS A 18 10.875 5.676 13.527 1.00 0.00 N ATOM 0 H HIS A 18 9.419 5.782 8.645 1.00 0.00 H new ATOM 0 HA HIS A 18 9.146 7.156 10.474 1.00 0.00 H new ATOM 0 HB2 HIS A 18 11.921 6.902 9.641 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.722 8.510 10.309 1.00 0.00 H new ATOM 0 HD2 HIS A 18 9.905 5.200 11.641 1.00 0.00 H new ATOM 0 HE1 HIS A 18 12.191 6.898 14.678 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.537 4.976 14.188 1.00 0.00 H new ATOM 309 N GLN A 19 8.709 9.210 8.437 1.00 0.00 N ATOM 310 CA GLN A 19 8.282 10.592 8.112 1.00 0.00 C ATOM 311 C GLN A 19 6.883 10.848 8.661 1.00 0.00 C ATOM 312 O GLN A 19 5.972 10.089 8.406 1.00 0.00 O ATOM 313 CB GLN A 19 8.256 10.753 6.586 1.00 0.00 C ATOM 314 CG GLN A 19 8.435 12.234 6.246 1.00 0.00 C ATOM 315 CD GLN A 19 8.433 12.415 4.730 1.00 0.00 C ATOM 316 OE1 GLN A 19 7.849 11.639 4.003 1.00 0.00 O ATOM 317 NE2 GLN A 19 9.071 13.429 4.216 1.00 0.00 N ATOM 0 H GLN A 19 8.375 8.486 7.801 1.00 0.00 H new ATOM 0 HA GLN A 19 8.978 11.302 8.559 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.050 10.162 6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.313 10.384 6.183 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.632 12.820 6.693 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.371 12.603 6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.563 14.083 4.824 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.078 13.568 3.206 1.00 0.00 H new ATOM 326 N SER A 20 6.740 11.906 9.420 1.00 0.00 N ATOM 327 CA SER A 20 5.410 12.219 9.990 1.00 0.00 C ATOM 328 C SER A 20 4.624 13.182 9.112 1.00 0.00 C ATOM 329 O SER A 20 5.116 14.225 8.729 1.00 0.00 O ATOM 330 CB SER A 20 5.612 12.874 11.358 1.00 0.00 C ATOM 331 OG SER A 20 6.646 13.823 11.143 1.00 0.00 O ATOM 0 H SER A 20 7.486 12.558 9.664 1.00 0.00 H new ATOM 0 HA SER A 20 4.847 11.289 10.064 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.698 13.354 11.708 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.896 12.140 12.112 1.00 0.00 H new ATOM 0 HG SER A 20 6.547 14.218 10.251 1.00 0.00 H new ATOM 337 N TRP A 21 3.409 12.806 8.817 1.00 0.00 N ATOM 338 CA TRP A 21 2.548 13.670 7.968 1.00 0.00 C ATOM 339 C TRP A 21 1.128 13.690 8.538 1.00 0.00 C ATOM 340 O TRP A 21 0.449 12.684 8.577 1.00 0.00 O ATOM 341 CB TRP A 21 2.557 13.130 6.517 1.00 0.00 C ATOM 342 CG TRP A 21 1.691 11.871 6.383 1.00 0.00 C ATOM 343 CD1 TRP A 21 0.446 11.883 5.954 1.00 0.00 C ATOM 344 CD2 TRP A 21 2.112 10.640 6.570 1.00 0.00 C ATOM 345 NE1 TRP A 21 0.116 10.585 5.878 1.00 0.00 N ATOM 346 CE2 TRP A 21 1.120 9.731 6.252 1.00 0.00 C ATOM 347 CE3 TRP A 21 3.342 10.181 6.995 1.00 0.00 C ATOM 348 CZ2 TRP A 21 1.344 8.387 6.350 1.00 0.00 C ATOM 349 CZ3 TRP A 21 3.576 8.817 7.097 1.00 0.00 C ATOM 350 CH2 TRP A 21 2.578 7.919 6.772 1.00 0.00 C ATOM 0 H TRP A 21 2.977 11.936 9.129 1.00 0.00 H new ATOM 0 HA TRP A 21 2.930 14.691 7.961 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.190 13.900 5.838 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.580 12.903 6.218 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.168 12.740 5.718 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.801 10.262 5.569 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.122 10.883 7.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.559 7.689 6.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.538 8.458 7.430 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.759 6.857 6.846 1.00 0.00 H new ATOM 361 N LEU A 22 0.716 14.861 8.971 1.00 0.00 N ATOM 362 CA LEU A 22 -0.645 15.019 9.557 1.00 0.00 C ATOM 363 C LEU A 22 -1.757 15.111 8.518 1.00 0.00 C ATOM 364 O LEU A 22 -1.602 15.709 7.472 1.00 0.00 O ATOM 365 CB LEU A 22 -0.663 16.341 10.356 1.00 0.00 C ATOM 366 CG LEU A 22 0.096 16.212 11.698 1.00 0.00 C ATOM 367 CD1 LEU A 22 -0.808 15.550 12.741 1.00 0.00 C ATOM 368 CD2 LEU A 22 1.387 15.386 11.528 1.00 0.00 C ATOM 0 H LEU A 22 1.272 15.716 8.941 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.833 14.135 10.166 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.212 17.133 9.758 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.695 16.635 10.549 1.00 0.00 H new ATOM 0 HG LEU A 22 0.372 17.212 12.033 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.270 15.461 13.685 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.700 16.159 12.888 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.098 14.558 12.394 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.900 15.312 12.487 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.135 14.387 11.172 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.039 15.875 10.804 1.00 0.00 H new ATOM 380 N ARG A 23 -2.875 14.524 8.871 1.00 0.00 N ATOM 381 CA ARG A 23 -4.061 14.527 7.973 1.00 0.00 C ATOM 382 C ARG A 23 -5.179 15.368 8.643 1.00 0.00 C ATOM 383 O ARG A 23 -5.221 15.466 9.854 1.00 0.00 O ATOM 384 CB ARG A 23 -4.552 13.057 7.831 1.00 0.00 C ATOM 385 CG ARG A 23 -4.242 12.500 6.418 1.00 0.00 C ATOM 386 CD ARG A 23 -2.728 12.362 6.221 1.00 0.00 C ATOM 387 NE ARG A 23 -2.159 13.710 5.933 1.00 0.00 N ATOM 388 CZ ARG A 23 -2.346 14.261 4.761 1.00 0.00 C ATOM 389 NH1 ARG A 23 -3.464 14.894 4.529 1.00 0.00 N ATOM 390 NH2 ARG A 23 -1.401 14.169 3.865 1.00 0.00 N ATOM 0 H ARG A 23 -3.013 14.037 9.757 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.814 14.945 6.997 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.070 12.435 8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.625 13.009 8.017 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.722 11.530 6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.655 13.164 5.659 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.267 11.940 7.114 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.515 11.678 5.399 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.625 14.202 6.649 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.177 14.954 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.625 15.329 3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.536 13.674 4.085 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.527 14.592 2.945 1.00 0.00 H new ATOM 404 N PRO A 24 -6.072 15.969 7.854 1.00 0.00 N ATOM 405 CA PRO A 24 -7.149 16.777 8.423 1.00 0.00 C ATOM 406 C PRO A 24 -7.998 15.970 9.398 1.00 0.00 C ATOM 407 O PRO A 24 -7.771 14.792 9.598 1.00 0.00 O ATOM 408 CB PRO A 24 -8.013 17.200 7.219 1.00 0.00 C ATOM 409 CG PRO A 24 -7.353 16.604 5.940 1.00 0.00 C ATOM 410 CD PRO A 24 -6.080 15.867 6.386 1.00 0.00 C ATOM 0 HA PRO A 24 -6.749 17.625 8.980 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.033 16.833 7.331 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.071 18.286 7.151 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.037 15.920 5.437 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.111 17.393 5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.094 14.826 6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.189 16.323 5.954 1.00 0.00 H new ATOM 418 N VAL A 25 -8.962 16.620 9.988 1.00 0.00 N ATOM 419 CA VAL A 25 -9.834 15.913 10.950 1.00 0.00 C ATOM 420 C VAL A 25 -10.951 15.180 10.219 1.00 0.00 C ATOM 421 O VAL A 25 -11.165 15.382 9.041 1.00 0.00 O ATOM 422 CB VAL A 25 -10.447 16.958 11.927 1.00 0.00 C ATOM 423 CG1 VAL A 25 -9.541 18.195 11.981 1.00 0.00 C ATOM 424 CG2 VAL A 25 -11.842 17.386 11.457 1.00 0.00 C ATOM 0 H VAL A 25 -9.179 17.606 9.843 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.245 15.180 11.501 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.529 16.503 12.914 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.968 18.929 12.665 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.550 17.905 12.332 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.460 18.631 10.985 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.252 18.117 12.154 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.771 17.831 10.465 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.496 16.515 11.418 1.00 0.00 H new ATOM 434 N LEU A 26 -11.641 14.340 10.933 1.00 0.00 N ATOM 435 CA LEU A 26 -12.744 13.585 10.300 1.00 0.00 C ATOM 436 C LEU A 26 -14.062 14.318 10.460 1.00 0.00 C ATOM 437 O LEU A 26 -14.674 14.724 9.491 1.00 0.00 O ATOM 438 CB LEU A 26 -12.854 12.221 10.993 1.00 0.00 C ATOM 439 CG LEU A 26 -11.449 11.685 11.278 1.00 0.00 C ATOM 440 CD1 LEU A 26 -11.558 10.249 11.793 1.00 0.00 C ATOM 441 CD2 LEU A 26 -10.626 11.694 9.986 1.00 0.00 C ATOM 0 H LEU A 26 -11.488 14.146 11.923 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.534 13.472 9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.415 12.317 11.923 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.401 11.522 10.361 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.962 12.313 12.024 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.561 9.860 11.999 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.149 10.235 12.709 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.042 9.628 11.039 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.625 11.312 10.189 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.111 11.063 9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.555 12.713 9.607 1.00 0.00 H new ATOM 453 N ARG A 27 -14.478 14.480 11.684 1.00 0.00 N ATOM 454 CA ARG A 27 -15.760 15.185 11.929 1.00 0.00 C ATOM 455 C ARG A 27 -15.705 15.972 13.228 1.00 0.00 C ATOM 456 O ARG A 27 -16.552 16.805 13.488 1.00 0.00 O ATOM 457 CB ARG A 27 -16.878 14.138 12.031 1.00 0.00 C ATOM 458 CG ARG A 27 -16.931 13.341 10.726 1.00 0.00 C ATOM 459 CD ARG A 27 -18.230 12.527 10.678 1.00 0.00 C ATOM 460 NE ARG A 27 -18.163 11.447 11.703 1.00 0.00 N ATOM 461 CZ ARG A 27 -18.260 10.201 11.328 1.00 0.00 C ATOM 462 NH1 ARG A 27 -17.184 9.575 10.939 1.00 0.00 N ATOM 463 NH2 ARG A 27 -19.429 9.621 11.361 1.00 0.00 N ATOM 0 H ARG A 27 -13.988 14.157 12.518 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.947 15.879 11.109 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -16.694 13.471 12.873 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -17.836 14.626 12.214 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -16.881 14.017 9.872 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -16.070 12.676 10.658 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -19.087 13.174 10.868 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -18.369 12.097 9.686 1.00 0.00 H new ATOM 0 HE ARG A 27 -18.042 11.680 12.689 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -16.287 10.060 10.932 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -17.240 8.601 10.642 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -20.248 10.141 11.676 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -19.524 8.648 11.071 1.00 0.00 H new ATOM 477 N SER A 28 -14.709 15.696 14.023 1.00 0.00 N ATOM 478 CA SER A 28 -14.585 16.414 15.303 1.00 0.00 C ATOM 479 C SER A 28 -13.678 17.627 15.147 1.00 0.00 C ATOM 480 O SER A 28 -13.982 18.542 14.408 1.00 0.00 O ATOM 481 CB SER A 28 -13.970 15.456 16.331 1.00 0.00 C ATOM 482 OG SER A 28 -14.995 14.503 16.573 1.00 0.00 O ATOM 0 H SER A 28 -13.982 15.005 13.835 1.00 0.00 H new ATOM 0 HA SER A 28 -15.568 16.754 15.628 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.068 14.982 15.944 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.688 15.979 17.245 1.00 0.00 H new ATOM 0 HG SER A 28 -14.681 13.843 17.226 1.00 0.00 H new ATOM 488 N ASN A 29 -12.579 17.613 15.846 1.00 0.00 N ATOM 489 CA ASN A 29 -11.641 18.762 15.750 1.00 0.00 C ATOM 490 C ASN A 29 -10.206 18.324 16.015 1.00 0.00 C ATOM 491 O ASN A 29 -9.361 19.137 16.339 1.00 0.00 O ATOM 492 CB ASN A 29 -12.038 19.802 16.808 1.00 0.00 C ATOM 493 CG ASN A 29 -11.398 21.146 16.460 1.00 0.00 C ATOM 494 OD1 ASN A 29 -12.138 22.086 15.943 1.00 0.00 O flip ATOM 495 ND2 ASN A 29 -10.216 21.352 16.655 1.00 0.00 N flip ATOM 0 H ASN A 29 -12.292 16.862 16.474 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.698 19.178 14.744 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.123 19.902 16.847 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.712 19.476 17.796 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.631 20.621 17.059 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.809 22.256 16.414 1.00 0.00 H new ATOM 502 N ARG A 30 -9.952 17.050 15.871 1.00 0.00 N ATOM 503 CA ARG A 30 -8.583 16.552 16.113 1.00 0.00 C ATOM 504 C ARG A 30 -7.825 16.360 14.815 1.00 0.00 C ATOM 505 O ARG A 30 -8.397 16.381 13.754 1.00 0.00 O ATOM 506 CB ARG A 30 -8.701 15.202 16.800 1.00 0.00 C ATOM 507 CG ARG A 30 -9.564 15.354 18.043 1.00 0.00 C ATOM 508 CD ARG A 30 -9.149 14.296 19.050 1.00 0.00 C ATOM 509 NE ARG A 30 -10.241 14.119 20.050 1.00 0.00 N ATOM 510 CZ ARG A 30 -10.288 13.023 20.764 1.00 0.00 C ATOM 511 NH1 ARG A 30 -9.206 12.305 20.888 1.00 0.00 N ATOM 512 NH2 ARG A 30 -11.416 12.687 21.331 1.00 0.00 N ATOM 0 H ARG A 30 -10.634 16.343 15.598 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.043 17.278 16.721 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.142 14.472 16.122 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.713 14.829 17.071 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.443 16.350 18.469 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.618 15.242 17.788 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.947 13.353 18.543 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.227 14.593 19.549 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.945 14.846 20.177 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.343 12.601 20.433 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.223 11.448 21.440 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.241 13.275 21.214 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.472 11.836 21.891 1.00 0.00 H new ATOM 526 N VAL A 31 -6.544 16.166 14.935 1.00 0.00 N ATOM 527 CA VAL A 31 -5.708 15.965 13.719 1.00 0.00 C ATOM 528 C VAL A 31 -5.208 14.536 13.659 1.00 0.00 C ATOM 529 O VAL A 31 -4.886 13.946 14.672 1.00 0.00 O ATOM 530 CB VAL A 31 -4.496 16.909 13.796 1.00 0.00 C ATOM 531 CG1 VAL A 31 -4.815 18.206 13.049 1.00 0.00 C ATOM 532 CG2 VAL A 31 -4.195 17.232 15.260 1.00 0.00 C ATOM 0 H VAL A 31 -6.039 16.138 15.821 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.305 16.174 12.831 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.630 16.427 13.342 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.958 18.877 13.102 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.035 17.980 12.006 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.680 18.686 13.507 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.336 17.901 15.316 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.061 17.715 15.712 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.973 16.310 15.798 1.00 0.00 H new ATOM 542 N GLU A 32 -5.150 13.993 12.479 1.00 0.00 N ATOM 543 CA GLU A 32 -4.668 12.597 12.358 1.00 0.00 C ATOM 544 C GLU A 32 -3.158 12.569 12.180 1.00 0.00 C ATOM 545 O GLU A 32 -2.639 12.977 11.162 1.00 0.00 O ATOM 546 CB GLU A 32 -5.307 11.952 11.119 1.00 0.00 C ATOM 547 CG GLU A 32 -6.534 11.134 11.534 1.00 0.00 C ATOM 548 CD GLU A 32 -7.076 10.393 10.310 1.00 0.00 C ATOM 549 OE1 GLU A 32 -6.565 10.675 9.238 1.00 0.00 O ATOM 550 OE2 GLU A 32 -7.966 9.584 10.515 1.00 0.00 O ATOM 0 H GLU A 32 -5.412 14.449 11.605 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.939 12.055 13.264 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.597 12.723 10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.583 11.310 10.618 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.266 10.424 12.316 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.301 11.789 11.948 1.00 0.00 H new ATOM 557 N TYR A 33 -2.486 12.083 13.173 1.00 0.00 N ATOM 558 CA TYR A 33 -1.014 12.011 13.100 1.00 0.00 C ATOM 559 C TYR A 33 -0.607 10.685 12.496 1.00 0.00 C ATOM 560 O TYR A 33 -0.639 9.684 13.163 1.00 0.00 O ATOM 561 CB TYR A 33 -0.479 12.093 14.541 1.00 0.00 C ATOM 562 CG TYR A 33 0.966 12.613 14.557 1.00 0.00 C ATOM 563 CD1 TYR A 33 1.987 11.892 13.966 1.00 0.00 C ATOM 564 CD2 TYR A 33 1.273 13.800 15.195 1.00 0.00 C ATOM 565 CE1 TYR A 33 3.286 12.351 14.013 1.00 0.00 C ATOM 566 CE2 TYR A 33 2.572 14.256 15.241 1.00 0.00 C ATOM 567 CZ TYR A 33 3.590 13.537 14.650 1.00 0.00 C ATOM 568 OH TYR A 33 4.890 13.999 14.692 1.00 0.00 O ATOM 0 H TYR A 33 -2.896 11.730 14.038 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.616 12.820 12.487 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.114 12.752 15.133 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.521 11.108 15.006 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.765 10.962 13.464 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.487 14.375 15.662 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.073 11.777 13.547 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.795 15.185 15.744 1.00 0.00 H new ATOM 0 HH TYR A 33 4.920 14.849 15.180 1.00 0.00 H new ATOM 578 N CYS A 34 -0.236 10.704 11.236 1.00 0.00 N ATOM 579 CA CYS A 34 0.176 9.432 10.574 1.00 0.00 C ATOM 580 C CYS A 34 1.644 9.447 10.177 1.00 0.00 C ATOM 581 O CYS A 34 2.047 10.204 9.316 1.00 0.00 O ATOM 582 CB CYS A 34 -0.671 9.248 9.299 1.00 0.00 C ATOM 583 SG CYS A 34 -2.118 8.154 9.397 1.00 0.00 S ATOM 0 H CYS A 34 -0.202 11.536 10.647 1.00 0.00 H new ATOM 0 HA CYS A 34 0.023 8.617 11.281 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.015 10.232 8.980 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.017 8.869 8.514 1.00 0.00 H new ATOM 588 N TRP A 35 2.417 8.601 10.825 1.00 0.00 N ATOM 589 CA TRP A 35 3.869 8.527 10.515 1.00 0.00 C ATOM 590 C TRP A 35 4.228 7.122 10.084 1.00 0.00 C ATOM 591 O TRP A 35 3.555 6.181 10.418 1.00 0.00 O ATOM 592 CB TRP A 35 4.684 8.902 11.766 1.00 0.00 C ATOM 593 CG TRP A 35 5.193 7.622 12.460 1.00 0.00 C ATOM 594 CD1 TRP A 35 6.303 6.994 12.110 1.00 0.00 C ATOM 595 CD2 TRP A 35 4.621 7.031 13.496 1.00 0.00 C ATOM 596 NE1 TRP A 35 6.395 5.981 12.986 1.00 0.00 N ATOM 597 CE2 TRP A 35 5.366 5.933 13.905 1.00 0.00 C ATOM 598 CE3 TRP A 35 3.459 7.353 14.184 1.00 0.00 C ATOM 599 CZ2 TRP A 35 4.958 5.174 14.985 1.00 0.00 C ATOM 600 CZ3 TRP A 35 3.057 6.590 15.264 1.00 0.00 C ATOM 601 CH2 TRP A 35 3.806 5.503 15.663 1.00 0.00 C ATOM 0 H TRP A 35 2.097 7.963 11.553 1.00 0.00 H new ATOM 0 HA TRP A 35 4.099 9.223 9.708 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.526 9.535 11.486 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.066 9.479 12.454 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.980 7.240 11.305 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.159 5.305 12.974 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.868 8.202 13.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.543 4.322 15.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.153 6.846 15.797 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.489 4.910 16.508 1.00 0.00 H new ATOM 612 N CYS A 36 5.293 7.012 9.361 1.00 0.00 N ATOM 613 CA CYS A 36 5.728 5.677 8.881 1.00 0.00 C ATOM 614 C CYS A 36 6.657 4.970 9.868 1.00 0.00 C ATOM 615 O CYS A 36 7.748 5.411 10.111 1.00 0.00 O ATOM 616 CB CYS A 36 6.494 5.921 7.595 1.00 0.00 C ATOM 617 SG CYS A 36 6.102 4.897 6.173 1.00 0.00 S ATOM 0 H CYS A 36 5.888 7.791 9.078 1.00 0.00 H new ATOM 0 HA CYS A 36 4.854 5.039 8.752 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.343 6.962 7.309 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.556 5.801 7.811 1.00 0.00 H new ATOM 622 N ASN A 37 6.215 3.867 10.401 1.00 0.00 N ATOM 623 CA ASN A 37 7.081 3.144 11.364 1.00 0.00 C ATOM 624 C ASN A 37 7.982 2.151 10.635 1.00 0.00 C ATOM 625 O ASN A 37 8.976 1.701 11.171 1.00 0.00 O ATOM 626 CB ASN A 37 6.188 2.368 12.338 1.00 0.00 C ATOM 627 CG ASN A 37 6.920 1.101 12.784 1.00 0.00 C ATOM 628 OD1 ASN A 37 8.007 1.218 13.495 1.00 0.00 O flip ATOM 629 ND2 ASN A 37 6.510 -0.005 12.487 1.00 0.00 N flip ATOM 0 H ASN A 37 5.307 3.442 10.215 1.00 0.00 H new ATOM 0 HA ASN A 37 7.702 3.866 11.894 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.947 2.987 13.202 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.244 2.108 11.858 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.660 -0.102 11.931 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.016 -0.836 12.794 1.00 0.00 H new ATOM 636 N SER A 38 7.615 1.831 9.420 1.00 0.00 N ATOM 637 CA SER A 38 8.432 0.870 8.634 1.00 0.00 C ATOM 638 C SER A 38 7.904 0.754 7.210 1.00 0.00 C ATOM 639 O SER A 38 8.606 0.327 6.315 1.00 0.00 O ATOM 640 CB SER A 38 8.339 -0.512 9.302 1.00 0.00 C ATOM 641 OG SER A 38 6.954 -0.827 9.260 1.00 0.00 O ATOM 0 H SER A 38 6.789 2.194 8.944 1.00 0.00 H new ATOM 0 HA SER A 38 9.463 1.224 8.603 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.932 -1.254 8.767 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.710 -0.485 10.326 1.00 0.00 H new ATOM 0 HG SER A 38 6.806 -1.705 9.670 1.00 0.00 H new ATOM 647 N GLY A 39 6.672 1.136 7.028 1.00 0.00 N ATOM 648 CA GLY A 39 6.073 1.058 5.669 1.00 0.00 C ATOM 649 C GLY A 39 4.588 0.705 5.767 1.00 0.00 C ATOM 650 O GLY A 39 3.952 0.413 4.773 1.00 0.00 O ATOM 0 H GLY A 39 6.057 1.497 7.757 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.195 2.011 5.155 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.595 0.307 5.076 1.00 0.00 H new ATOM 654 N ARG A 40 4.070 0.744 6.973 1.00 0.00 N ATOM 655 CA ARG A 40 2.631 0.418 7.178 1.00 0.00 C ATOM 656 C ARG A 40 1.864 1.657 7.610 1.00 0.00 C ATOM 657 O ARG A 40 0.682 1.599 7.886 1.00 0.00 O ATOM 658 CB ARG A 40 2.527 -0.638 8.291 1.00 0.00 C ATOM 659 CG ARG A 40 3.113 -0.065 9.583 1.00 0.00 C ATOM 660 CD ARG A 40 3.411 -1.212 10.552 1.00 0.00 C ATOM 661 NE ARG A 40 2.201 -2.074 10.676 1.00 0.00 N ATOM 662 CZ ARG A 40 1.761 -2.392 11.864 1.00 0.00 C ATOM 663 NH1 ARG A 40 2.236 -3.458 12.448 1.00 0.00 N ATOM 664 NH2 ARG A 40 0.859 -1.635 12.428 1.00 0.00 N ATOM 0 H ARG A 40 4.584 0.988 7.819 1.00 0.00 H new ATOM 0 HA ARG A 40 2.209 0.046 6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.486 -0.921 8.444 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.064 -1.542 8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.025 0.491 9.367 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.411 0.636 10.035 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.255 -1.799 10.191 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.692 -0.816 11.528 1.00 0.00 H new ATOM 0 HE ARG A 40 1.722 -2.412 9.842 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.939 -4.027 11.977 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.904 -3.722 13.376 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.509 -0.810 11.941 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.504 -1.869 13.355 1.00 0.00 H new ATOM 678 N ALA A 41 2.554 2.758 7.659 1.00 0.00 N ATOM 679 CA ALA A 41 1.895 4.018 8.068 1.00 0.00 C ATOM 680 C ALA A 41 1.287 3.890 9.456 1.00 0.00 C ATOM 681 O ALA A 41 0.155 3.479 9.610 1.00 0.00 O ATOM 682 CB ALA A 41 0.779 4.345 7.063 1.00 0.00 C ATOM 0 H ALA A 41 3.546 2.837 7.433 1.00 0.00 H new ATOM 0 HA ALA A 41 2.642 4.812 8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.286 5.272 7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.208 4.460 6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.050 3.535 7.052 1.00 0.00 H new ATOM 688 N GLN A 42 2.055 4.244 10.441 1.00 0.00 N ATOM 689 CA GLN A 42 1.553 4.158 11.825 1.00 0.00 C ATOM 690 C GLN A 42 0.878 5.465 12.164 1.00 0.00 C ATOM 691 O GLN A 42 1.303 6.490 11.693 1.00 0.00 O ATOM 692 CB GLN A 42 2.760 3.962 12.751 1.00 0.00 C ATOM 693 CG GLN A 42 2.480 2.809 13.712 1.00 0.00 C ATOM 694 CD GLN A 42 1.271 3.154 14.581 1.00 0.00 C ATOM 695 OE1 GLN A 42 0.956 4.308 14.799 1.00 0.00 O ATOM 696 NE2 GLN A 42 0.565 2.185 15.097 1.00 0.00 N ATOM 0 H GLN A 42 3.010 4.589 10.343 1.00 0.00 H new ATOM 0 HA GLN A 42 0.849 3.334 11.939 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.653 3.751 12.163 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.956 4.877 13.310 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.290 1.893 13.153 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.352 2.624 14.340 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.823 1.215 14.918 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.245 2.398 15.679 1.00 0.00 H new ATOM 705 N CYS A 43 -0.169 5.437 12.952 1.00 0.00 N ATOM 706 CA CYS A 43 -0.816 6.734 13.267 1.00 0.00 C ATOM 707 C CYS A 43 -1.509 6.775 14.614 1.00 0.00 C ATOM 708 O CYS A 43 -1.726 5.770 15.260 1.00 0.00 O ATOM 709 CB CYS A 43 -1.871 7.027 12.188 1.00 0.00 C ATOM 710 SG CYS A 43 -1.487 6.564 10.480 1.00 0.00 S ATOM 0 H CYS A 43 -0.585 4.606 13.373 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.017 7.475 13.296 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.792 6.518 12.474 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.079 8.097 12.206 1.00 0.00 H new ATOM 715 N HIS A 44 -1.845 7.981 14.995 1.00 0.00 N ATOM 716 CA HIS A 44 -2.534 8.211 16.281 1.00 0.00 C ATOM 717 C HIS A 44 -3.306 9.513 16.189 1.00 0.00 C ATOM 718 O HIS A 44 -3.267 10.173 15.167 1.00 0.00 O ATOM 719 CB HIS A 44 -1.498 8.291 17.426 1.00 0.00 C ATOM 720 CG HIS A 44 -0.397 9.298 17.097 1.00 0.00 C ATOM 721 ND1 HIS A 44 0.625 9.046 16.425 1.00 0.00 N ATOM 722 CD2 HIS A 44 -0.262 10.610 17.500 1.00 0.00 C ATOM 723 CE1 HIS A 44 1.396 10.051 16.358 1.00 0.00 C ATOM 724 NE2 HIS A 44 0.912 11.107 17.018 1.00 0.00 N ATOM 0 H HIS A 44 -1.663 8.825 14.452 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.218 7.388 16.489 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.995 8.580 18.352 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.059 7.308 17.593 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.973 11.156 18.102 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.337 10.053 15.828 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.314 12.038 17.131 1.00 0.00 H new ATOM 732 N SER A 45 -3.996 9.869 17.237 1.00 0.00 N ATOM 733 CA SER A 45 -4.772 11.139 17.193 1.00 0.00 C ATOM 734 C SER A 45 -4.630 11.946 18.473 1.00 0.00 C ATOM 735 O SER A 45 -4.913 11.468 19.554 1.00 0.00 O ATOM 736 CB SER A 45 -6.251 10.788 16.990 1.00 0.00 C ATOM 737 OG SER A 45 -6.736 11.809 16.133 1.00 0.00 O ATOM 0 H SER A 45 -4.056 9.344 18.110 1.00 0.00 H new ATOM 0 HA SER A 45 -4.385 11.748 16.376 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.368 9.802 16.541 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.791 10.773 17.937 1.00 0.00 H new ATOM 0 HG SER A 45 -7.687 11.657 15.949 1.00 0.00 H new ATOM 743 N VAL A 46 -4.183 13.163 18.309 1.00 0.00 N ATOM 744 CA VAL A 46 -3.997 14.064 19.472 1.00 0.00 C ATOM 745 C VAL A 46 -4.681 15.426 19.164 1.00 0.00 C ATOM 746 O VAL A 46 -4.422 16.003 18.129 1.00 0.00 O ATOM 747 CB VAL A 46 -2.475 14.286 19.649 1.00 0.00 C ATOM 748 CG1 VAL A 46 -1.811 14.345 18.268 1.00 0.00 C ATOM 749 CG2 VAL A 46 -2.220 15.610 20.381 1.00 0.00 C ATOM 0 H VAL A 46 -3.938 13.571 17.407 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.432 13.636 20.375 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.059 13.464 20.232 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.739 14.501 18.386 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.985 13.407 17.740 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.237 15.168 17.695 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.147 15.758 20.501 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.637 16.433 19.801 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.694 15.581 21.362 1.00 0.00 H new ATOM 759 N PRO A 47 -5.550 15.936 20.054 1.00 0.00 N ATOM 760 CA PRO A 47 -6.203 17.212 19.784 1.00 0.00 C ATOM 761 C PRO A 47 -5.191 18.321 19.555 1.00 0.00 C ATOM 762 O PRO A 47 -4.002 18.126 19.705 1.00 0.00 O ATOM 763 CB PRO A 47 -7.034 17.521 21.040 1.00 0.00 C ATOM 764 CG PRO A 47 -6.829 16.339 22.037 1.00 0.00 C ATOM 765 CD PRO A 47 -5.909 15.315 21.348 1.00 0.00 C ATOM 0 HA PRO A 47 -6.811 17.152 18.881 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.715 18.462 21.489 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.088 17.630 20.786 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.383 16.693 22.966 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.785 15.884 22.296 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.022 15.113 21.949 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.418 14.362 21.201 1.00 0.00 H new ATOM 773 N VAL A 48 -5.686 19.467 19.196 1.00 0.00 N ATOM 774 CA VAL A 48 -4.777 20.613 18.947 1.00 0.00 C ATOM 775 C VAL A 48 -4.326 21.239 20.256 1.00 0.00 C ATOM 776 O VAL A 48 -3.267 21.831 20.333 1.00 0.00 O ATOM 777 CB VAL A 48 -5.542 21.662 18.135 1.00 0.00 C ATOM 778 CG1 VAL A 48 -6.619 22.295 19.018 1.00 0.00 C ATOM 779 CG2 VAL A 48 -4.571 22.748 17.666 1.00 0.00 C ATOM 0 H VAL A 48 -6.679 19.660 19.064 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.897 20.262 18.408 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.006 21.189 17.270 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.167 23.043 18.444 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.309 21.523 19.360 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.150 22.770 19.879 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.113 23.496 17.088 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.110 23.223 18.532 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.797 22.300 17.044 1.00 0.00 H new ATOM 789 N LYS A 49 -5.137 21.100 21.266 1.00 0.00 N ATOM 790 CA LYS A 49 -4.774 21.680 22.575 1.00 0.00 C ATOM 791 C LYS A 49 -3.419 21.163 23.036 1.00 0.00 C ATOM 792 O LYS A 49 -3.332 20.157 23.712 1.00 0.00 O ATOM 793 CB LYS A 49 -5.838 21.259 23.595 1.00 0.00 C ATOM 794 CG LYS A 49 -7.181 21.880 23.204 1.00 0.00 C ATOM 795 CD LYS A 49 -8.149 21.760 24.382 1.00 0.00 C ATOM 796 CE LYS A 49 -8.065 23.030 25.232 1.00 0.00 C ATOM 797 NZ LYS A 49 -8.572 22.771 26.608 1.00 0.00 N ATOM 0 H LYS A 49 -6.031 20.611 21.236 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.721 22.765 22.487 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.921 20.173 23.625 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.550 21.585 24.595 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.046 22.927 22.933 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.589 21.374 22.329 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.167 21.617 24.019 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.900 20.887 24.985 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.033 23.376 25.278 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.648 23.825 24.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.508 23.643 27.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.564 22.462 26.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.999 22.027 27.055 1.00 0.00 H new ATOM 811 N SER A 50 -2.383 21.861 22.664 1.00 0.00 N ATOM 812 CA SER A 50 -1.027 21.422 23.073 1.00 0.00 C ATOM 813 C SER A 50 -0.784 21.720 24.548 1.00 0.00 C ATOM 814 O SER A 50 -1.435 21.066 25.346 1.00 0.00 O ATOM 815 CB SER A 50 0.005 22.193 22.236 1.00 0.00 C ATOM 816 OG SER A 50 -0.224 23.554 22.569 1.00 0.00 O ATOM 817 OXT SER A 50 0.039 22.585 24.796 1.00 0.00 O ATOM 0 H SER A 50 -2.419 22.709 22.099 1.00 0.00 H new ATOM 0 HA SER A 50 -0.937 20.347 22.914 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.023 21.889 22.480 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.134 22.015 21.170 1.00 0.00 H new ATOM 0 HG SER A 50 0.158 23.744 23.451 1.00 0.00 H new TER 823 SER A 50