USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 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: B 19 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 20 MET CE :methyl -112:sc= -1.28 (180deg=-4.18!) USER MOD Set 2.1: A 19 TYR OH : rot -98:sc= 0.567 USER MOD Set 2.2: A 20 MET CE :methyl -117:sc= -2.99 (180deg=-8.01!) USER MOD Single : A 1 MET CE :methyl 145:sc= -4.11! (180deg=-6.13!) USER MOD Single : A 1 MET N :NH3+ -158:sc=-0.00621 (180deg=-0.214) USER MOD Single : A 3 MET CE :methyl 139:sc= -5.57! (180deg=-14.1!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 6 SER OG : rot -14:sc= 0.453! USER MOD Single : A 9 ASN : amide:sc= -0.697 K(o=-0.7,f=0.85) USER MOD Single : A 14 GLN : amide:sc=-0.00566 K(o=-0.0057,f=-0.68) USER MOD Single : A 22 THR OG1 : rot -35:sc= 0.26 USER MOD Single : A 23 GLN : amide:sc= -0.347 K(o=-0.35,f=-5.5!) USER MOD Single : A 28 THR OG1 : rot 69:sc= 0.79 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 35 SER OG : rot 28:sc= 0.322 USER MOD Single : A 43 SER OG : rot 92:sc= 0.0608 USER MOD Single : A 44 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.63) USER MOD Single : B 1 MET CE :methyl 146:sc= -4.16! (180deg=-6.23!) USER MOD Single : B 1 MET N :NH3+ -157:sc=-0.00823 (180deg=-0.24) USER MOD Single : B 3 MET CE :methyl -117:sc= -3.09 (180deg=-6.81!) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.13 USER MOD Single : B 6 SER OG : rot -7:sc= 0.583! USER MOD Single : B 9 ASN : amide:sc= -0.533 K(o=-0.53,f=0.8) USER MOD Single : B 14 GLN : amide:sc=-0.00172 K(o=-0.0017,f=-0.66) USER MOD Single : B 22 THR OG1 : rot -36:sc= 0.199 USER MOD Single : B 23 GLN : amide:sc= -0.635 K(o=-0.63,f=-2.1!) USER MOD Single : B 28 THR OG1 : rot 69:sc= 0.68 USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.084) USER MOD Single : B 35 SER OG : rot 22:sc= 0.287 USER MOD Single : B 43 SER OG : rot 180:sc= 0.0542 USER MOD Single : B 44 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.284 -11.146 -4.320 1.00 0.00 N ATOM 2 CA MET A 1 -1.532 -10.293 -5.233 1.00 0.00 C ATOM 3 C MET A 1 -1.647 -10.797 -6.668 1.00 0.00 C ATOM 4 O MET A 1 -1.292 -11.938 -6.966 1.00 0.00 O ATOM 5 CB MET A 1 -0.061 -10.236 -4.816 1.00 0.00 C ATOM 6 CG MET A 1 0.158 -9.633 -3.438 1.00 0.00 C ATOM 7 SD MET A 1 1.218 -8.174 -3.479 1.00 0.00 S ATOM 8 CE MET A 1 0.322 -7.137 -4.632 1.00 0.00 C ATOM 0 H1 MET A 1 -2.508 -10.615 -3.454 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.167 -11.451 -4.778 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.714 -11.981 -4.076 1.00 0.00 H new ATOM 0 HA MET A 1 -1.955 -9.290 -5.185 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.352 -11.245 -4.832 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.494 -9.653 -5.551 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.806 -9.365 -3.005 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.603 -10.383 -2.784 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.420 -6.093 -4.334 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.731 -7.269 -5.634 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.731 -7.417 -4.631 1.00 0.00 H new ATOM 18 N LEU A 2 -2.146 -9.941 -7.553 1.00 0.00 N ATOM 19 CA LEU A 2 -2.308 -10.301 -8.957 1.00 0.00 C ATOM 20 C LEU A 2 -1.513 -9.359 -9.856 1.00 0.00 C ATOM 21 O LEU A 2 -1.755 -8.152 -9.875 1.00 0.00 O ATOM 22 CB LEU A 2 -3.787 -10.266 -9.345 1.00 0.00 C ATOM 23 CG LEU A 2 -4.265 -11.385 -10.270 1.00 0.00 C ATOM 24 CD1 LEU A 2 -5.740 -11.214 -10.598 1.00 0.00 C ATOM 25 CD2 LEU A 2 -3.434 -11.415 -11.545 1.00 0.00 C ATOM 0 H LEU A 2 -2.445 -8.993 -7.323 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.926 -11.313 -9.094 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.382 -10.297 -8.432 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.993 -9.310 -9.827 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.137 -12.336 -9.753 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.062 -12.020 -11.257 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.323 -11.243 -9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.894 -10.256 -11.094 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.788 -12.218 -12.192 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.530 -10.462 -12.064 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.388 -11.587 -11.293 1.00 0.00 H new ATOM 37 N MET A 3 -0.564 -9.919 -10.599 1.00 0.00 N ATOM 38 CA MET A 3 0.264 -9.129 -11.502 1.00 0.00 C ATOM 39 C MET A 3 -0.596 -8.384 -12.518 1.00 0.00 C ATOM 40 O MET A 3 -1.270 -9.000 -13.344 1.00 0.00 O ATOM 41 CB MET A 3 1.266 -10.030 -12.228 1.00 0.00 C ATOM 42 CG MET A 3 2.590 -9.346 -12.530 1.00 0.00 C ATOM 43 SD MET A 3 3.386 -9.998 -14.010 1.00 0.00 S ATOM 44 CE MET A 3 4.266 -8.548 -14.587 1.00 0.00 C ATOM 0 H MET A 3 -0.350 -10.916 -10.593 1.00 0.00 H new ATOM 0 HA MET A 3 0.809 -8.396 -10.907 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.454 -10.915 -11.620 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.822 -10.374 -13.162 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.422 -8.276 -12.654 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.260 -9.467 -11.679 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.256 -8.839 -14.937 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.712 -8.088 -15.405 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.366 -7.834 -13.770 1.00 0.00 H new ATOM 54 N ILE A 4 -0.568 -7.058 -12.450 1.00 0.00 N ATOM 55 CA ILE A 4 -1.345 -6.230 -13.364 1.00 0.00 C ATOM 56 C ILE A 4 -0.736 -6.233 -14.762 1.00 0.00 C ATOM 57 O ILE A 4 -1.438 -6.414 -15.758 1.00 0.00 O ATOM 58 CB ILE A 4 -1.444 -4.777 -12.863 1.00 0.00 C ATOM 59 CG1 ILE A 4 -2.223 -4.720 -11.547 1.00 0.00 C ATOM 60 CG2 ILE A 4 -2.104 -3.898 -13.914 1.00 0.00 C ATOM 61 CD1 ILE A 4 -3.561 -5.424 -11.606 1.00 0.00 C ATOM 0 H ILE A 4 -0.016 -6.534 -11.772 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.346 -6.660 -13.405 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.437 -4.401 -12.684 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.620 -5.169 -10.757 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.382 -3.677 -11.273 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.167 -2.874 -13.545 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.512 -3.918 -14.829 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.107 -4.271 -14.122 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.058 -5.343 -10.639 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.182 -4.961 -12.373 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.408 -6.476 -11.849 1.00 0.00 H new ATOM 73 N THR A 5 0.577 -6.034 -14.830 1.00 0.00 N ATOM 74 CA THR A 5 1.282 -6.015 -16.105 1.00 0.00 C ATOM 75 C THR A 5 2.787 -5.881 -15.899 1.00 0.00 C ATOM 76 O THR A 5 3.267 -5.843 -14.766 1.00 0.00 O ATOM 77 CB THR A 5 0.793 -4.860 -17.000 1.00 0.00 C ATOM 78 OG1 THR A 5 1.276 -5.038 -18.336 1.00 0.00 O ATOM 79 CG2 THR A 5 1.266 -3.519 -16.459 1.00 0.00 C ATOM 0 H THR A 5 1.173 -5.884 -14.016 1.00 0.00 H new ATOM 0 HA THR A 5 1.068 -6.963 -16.599 1.00 0.00 H new ATOM 0 HB THR A 5 -0.297 -4.868 -17.004 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.960 -4.301 -18.899 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.909 -2.719 -17.107 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.873 -3.374 -15.453 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.355 -3.503 -16.429 1.00 0.00 H new ATOM 87 N SER A 6 3.526 -5.809 -17.001 1.00 0.00 N ATOM 88 CA SER A 6 4.978 -5.683 -16.941 1.00 0.00 C ATOM 89 C SER A 6 5.469 -4.604 -17.901 1.00 0.00 C ATOM 90 O SER A 6 5.160 -4.629 -19.093 1.00 0.00 O ATOM 91 CB SER A 6 5.641 -7.020 -17.276 1.00 0.00 C ATOM 92 OG SER A 6 5.919 -7.118 -18.662 1.00 0.00 O ATOM 0 H SER A 6 3.144 -5.836 -17.946 1.00 0.00 H new ATOM 0 HA SER A 6 5.252 -5.394 -15.926 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.566 -7.123 -16.708 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.988 -7.839 -16.974 1.00 0.00 H new ATOM 0 HG SER A 6 5.430 -6.419 -19.144 1.00 0.00 H new ATOM 98 N PHE A 7 6.237 -3.656 -17.373 1.00 0.00 N ATOM 99 CA PHE A 7 6.771 -2.566 -18.181 1.00 0.00 C ATOM 100 C PHE A 7 8.296 -2.609 -18.213 1.00 0.00 C ATOM 101 O PHE A 7 8.924 -3.313 -17.422 1.00 0.00 O ATOM 102 CB PHE A 7 6.299 -1.218 -17.634 1.00 0.00 C ATOM 103 CG PHE A 7 4.828 -0.977 -17.821 1.00 0.00 C ATOM 104 CD1 PHE A 7 4.215 -1.259 -19.031 1.00 0.00 C ATOM 105 CD2 PHE A 7 4.059 -0.468 -16.787 1.00 0.00 C ATOM 106 CE1 PHE A 7 2.862 -1.037 -19.206 1.00 0.00 C ATOM 107 CE2 PHE A 7 2.705 -0.244 -16.956 1.00 0.00 C ATOM 108 CZ PHE A 7 2.106 -0.530 -18.167 1.00 0.00 C ATOM 0 H PHE A 7 6.503 -3.621 -16.389 1.00 0.00 H new ATOM 0 HA PHE A 7 6.400 -2.687 -19.199 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.536 -1.163 -16.571 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.855 -0.420 -18.126 1.00 0.00 H new ATOM 0 HD1 PHE A 7 4.801 -1.657 -19.847 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.523 -0.244 -15.838 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.396 -1.260 -20.155 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.117 0.154 -16.142 1.00 0.00 H new ATOM 0 HZ PHE A 7 1.048 -0.358 -18.301 1.00 0.00 H new ATOM 118 N ALA A 8 8.885 -1.852 -19.132 1.00 0.00 N ATOM 119 CA ALA A 8 10.335 -1.802 -19.266 1.00 0.00 C ATOM 120 C ALA A 8 10.845 -0.367 -19.180 1.00 0.00 C ATOM 121 O ALA A 8 11.608 0.083 -20.034 1.00 0.00 O ATOM 122 CB ALA A 8 10.766 -2.439 -20.579 1.00 0.00 C ATOM 0 H ALA A 8 8.380 -1.264 -19.795 1.00 0.00 H new ATOM 0 HA ALA A 8 10.771 -2.365 -18.441 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.852 -2.395 -20.666 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.442 -3.480 -20.602 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.313 -1.900 -21.411 1.00 0.00 H new ATOM 128 N ASN A 9 10.419 0.346 -18.143 1.00 0.00 N ATOM 129 CA ASN A 9 10.832 1.731 -17.946 1.00 0.00 C ATOM 130 C ASN A 9 10.289 2.279 -16.630 1.00 0.00 C ATOM 131 O ASN A 9 9.170 1.973 -16.216 1.00 0.00 O ATOM 132 CB ASN A 9 10.351 2.599 -19.111 1.00 0.00 C ATOM 133 CG ASN A 9 11.499 3.220 -19.882 1.00 0.00 C ATOM 134 OD1 ASN A 9 12.429 2.528 -20.297 1.00 0.00 O ATOM 135 ND2 ASN A 9 11.440 4.532 -20.078 1.00 0.00 N ATOM 0 H ASN A 9 9.788 -0.012 -17.426 1.00 0.00 H new ATOM 0 HA ASN A 9 11.921 1.757 -17.908 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.749 1.993 -19.787 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.704 3.389 -18.729 1.00 0.00 H new ATOM 0 HD21 ASN A 9 12.184 5.005 -20.590 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.650 5.067 -19.716 1.00 0.00 H new ATOM 142 N PRO A 10 11.097 3.110 -15.956 1.00 0.00 N ATOM 143 CA PRO A 10 10.719 3.720 -14.678 1.00 0.00 C ATOM 144 C PRO A 10 9.618 4.763 -14.837 1.00 0.00 C ATOM 145 O PRO A 10 8.627 4.749 -14.106 1.00 0.00 O ATOM 146 CB PRO A 10 12.015 4.379 -14.202 1.00 0.00 C ATOM 147 CG PRO A 10 12.788 4.640 -15.449 1.00 0.00 C ATOM 148 CD PRO A 10 12.444 3.519 -16.391 1.00 0.00 C ATOM 0 HA PRO A 10 10.317 2.986 -13.979 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.813 5.303 -13.661 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.565 3.726 -13.524 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.522 5.606 -15.878 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.859 4.665 -15.247 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.448 3.851 -17.429 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.157 2.698 -16.316 1.00 0.00 H new ATOM 156 N ARG A 11 9.797 5.665 -15.796 1.00 0.00 N ATOM 157 CA ARG A 11 8.818 6.715 -16.050 1.00 0.00 C ATOM 158 C ARG A 11 7.418 6.128 -16.203 1.00 0.00 C ATOM 159 O ARG A 11 6.463 6.608 -15.593 1.00 0.00 O ATOM 160 CB ARG A 11 9.195 7.499 -17.308 1.00 0.00 C ATOM 161 CG ARG A 11 10.620 8.028 -17.293 1.00 0.00 C ATOM 162 CD ARG A 11 10.782 9.218 -18.225 1.00 0.00 C ATOM 163 NE ARG A 11 12.185 9.584 -18.408 1.00 0.00 N ATOM 164 CZ ARG A 11 12.994 8.983 -19.273 1.00 0.00 C ATOM 165 NH1 ARG A 11 12.542 7.993 -20.031 1.00 0.00 N ATOM 166 NH2 ARG A 11 14.258 9.372 -19.381 1.00 0.00 N ATOM 0 H ARG A 11 10.611 5.690 -16.410 1.00 0.00 H new ATOM 0 HA ARG A 11 8.818 7.391 -15.195 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.064 6.857 -18.179 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.507 8.336 -17.424 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.890 8.320 -16.278 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.307 7.235 -17.590 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.340 8.983 -19.193 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.235 10.070 -17.823 1.00 0.00 H new ATOM 0 HE ARG A 11 12.564 10.342 -17.840 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.571 7.691 -19.950 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.165 7.533 -20.695 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.609 10.133 -18.799 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.879 8.910 -20.046 1.00 0.00 H new ATOM 180 N VAL A 12 7.305 5.088 -17.022 1.00 0.00 N ATOM 181 CA VAL A 12 6.022 4.435 -17.256 1.00 0.00 C ATOM 182 C VAL A 12 5.497 3.784 -15.981 1.00 0.00 C ATOM 183 O VAL A 12 4.380 4.061 -15.545 1.00 0.00 O ATOM 184 CB VAL A 12 6.129 3.366 -18.359 1.00 0.00 C ATOM 185 CG1 VAL A 12 4.819 2.604 -18.493 1.00 0.00 C ATOM 186 CG2 VAL A 12 6.522 4.004 -19.683 1.00 0.00 C ATOM 0 H VAL A 12 8.086 4.679 -17.535 1.00 0.00 H new ATOM 0 HA VAL A 12 5.326 5.210 -17.578 1.00 0.00 H new ATOM 0 HB VAL A 12 6.907 2.656 -18.079 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.914 1.853 -19.277 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.585 2.114 -17.548 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.019 3.298 -18.750 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.593 3.234 -20.451 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.768 4.736 -19.972 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.487 4.500 -19.576 1.00 0.00 H new ATOM 196 N ALA A 13 6.311 2.916 -15.388 1.00 0.00 N ATOM 197 CA ALA A 13 5.929 2.227 -14.162 1.00 0.00 C ATOM 198 C ALA A 13 5.388 3.207 -13.126 1.00 0.00 C ATOM 199 O ALA A 13 4.242 3.096 -12.694 1.00 0.00 O ATOM 200 CB ALA A 13 7.116 1.461 -13.596 1.00 0.00 C ATOM 0 H ALA A 13 7.238 2.674 -15.737 1.00 0.00 H new ATOM 0 HA ALA A 13 5.135 1.520 -14.404 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.817 0.951 -12.680 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.456 0.726 -14.326 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.926 2.156 -13.376 1.00 0.00 H new ATOM 206 N GLN A 14 6.221 4.166 -12.733 1.00 0.00 N ATOM 207 CA GLN A 14 5.826 5.164 -11.747 1.00 0.00 C ATOM 208 C GLN A 14 4.569 5.904 -12.195 1.00 0.00 C ATOM 209 O GLN A 14 3.594 5.996 -11.451 1.00 0.00 O ATOM 210 CB GLN A 14 6.963 6.161 -11.515 1.00 0.00 C ATOM 211 CG GLN A 14 6.562 7.353 -10.662 1.00 0.00 C ATOM 212 CD GLN A 14 6.069 6.948 -9.287 1.00 0.00 C ATOM 213 OE1 GLN A 14 6.494 5.931 -8.738 1.00 0.00 O ATOM 214 NE2 GLN A 14 5.169 7.744 -8.722 1.00 0.00 N ATOM 0 H GLN A 14 7.173 4.272 -13.083 1.00 0.00 H new ATOM 0 HA GLN A 14 5.608 4.648 -10.812 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.795 5.645 -11.036 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.323 6.520 -12.479 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.416 8.022 -10.555 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.780 7.914 -11.173 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.845 8.577 -9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.802 7.523 -7.796 1.00 0.00 H new ATOM 223 N ALA A 15 4.601 6.428 -13.416 1.00 0.00 N ATOM 224 CA ALA A 15 3.464 7.158 -13.964 1.00 0.00 C ATOM 225 C ALA A 15 2.176 6.355 -13.820 1.00 0.00 C ATOM 226 O ALA A 15 1.153 6.878 -13.377 1.00 0.00 O ATOM 227 CB ALA A 15 3.713 7.504 -15.424 1.00 0.00 C ATOM 0 H ALA A 15 5.402 6.361 -14.044 1.00 0.00 H new ATOM 0 HA ALA A 15 3.350 8.083 -13.398 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.856 8.049 -15.820 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.606 8.124 -15.504 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.856 6.587 -15.996 1.00 0.00 H new ATOM 233 N PHE A 16 2.232 5.082 -14.198 1.00 0.00 N ATOM 234 CA PHE A 16 1.069 4.207 -14.113 1.00 0.00 C ATOM 235 C PHE A 16 0.546 4.134 -12.682 1.00 0.00 C ATOM 236 O PHE A 16 -0.586 4.528 -12.401 1.00 0.00 O ATOM 237 CB PHE A 16 1.422 2.804 -14.611 1.00 0.00 C ATOM 238 CG PHE A 16 0.975 2.538 -16.020 1.00 0.00 C ATOM 239 CD1 PHE A 16 1.775 2.893 -17.094 1.00 0.00 C ATOM 240 CD2 PHE A 16 -0.246 1.932 -16.271 1.00 0.00 C ATOM 241 CE1 PHE A 16 1.365 2.650 -18.391 1.00 0.00 C ATOM 242 CE2 PHE A 16 -0.661 1.686 -17.566 1.00 0.00 C ATOM 243 CZ PHE A 16 0.147 2.045 -18.628 1.00 0.00 C ATOM 0 H PHE A 16 3.071 4.634 -14.566 1.00 0.00 H new ATOM 0 HA PHE A 16 0.286 4.624 -14.746 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.501 2.666 -14.549 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.968 2.067 -13.949 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.730 3.365 -16.915 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.881 1.649 -15.444 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.997 2.933 -19.219 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.615 1.214 -17.748 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.174 1.853 -19.641 1.00 0.00 H new ATOM 253 N VAL A 17 1.380 3.627 -11.779 1.00 0.00 N ATOM 254 CA VAL A 17 1.004 3.502 -10.376 1.00 0.00 C ATOM 255 C VAL A 17 0.598 4.851 -9.793 1.00 0.00 C ATOM 256 O VAL A 17 -0.115 4.918 -8.792 1.00 0.00 O ATOM 257 CB VAL A 17 2.155 2.918 -9.536 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.508 1.517 -10.014 1.00 0.00 C ATOM 259 CG2 VAL A 17 3.371 3.831 -9.591 1.00 0.00 C ATOM 0 H VAL A 17 2.321 3.296 -11.994 1.00 0.00 H new ATOM 0 HA VAL A 17 0.153 2.821 -10.336 1.00 0.00 H new ATOM 0 HB VAL A 17 1.827 2.850 -8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.323 1.121 -9.409 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.637 0.869 -9.918 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.817 1.556 -11.058 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.175 3.403 -8.992 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.703 3.933 -10.624 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.107 4.812 -9.196 1.00 0.00 H new ATOM 269 N ASP A 18 1.058 5.925 -10.427 1.00 0.00 N ATOM 270 CA ASP A 18 0.741 7.274 -9.973 1.00 0.00 C ATOM 271 C ASP A 18 -0.729 7.599 -10.218 1.00 0.00 C ATOM 272 O ASP A 18 -1.472 7.900 -9.284 1.00 0.00 O ATOM 273 CB ASP A 18 1.628 8.296 -10.686 1.00 0.00 C ATOM 274 CG ASP A 18 1.610 9.652 -10.008 1.00 0.00 C ATOM 275 OD1 ASP A 18 0.711 10.460 -10.322 1.00 0.00 O ATOM 276 OD2 ASP A 18 2.494 9.904 -9.163 1.00 0.00 O ATOM 0 H ASP A 18 1.651 5.887 -11.256 1.00 0.00 H new ATOM 0 HA ASP A 18 0.931 7.324 -8.901 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.652 7.923 -10.719 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.295 8.405 -11.718 1.00 0.00 H new ATOM 281 N TYR A 19 -1.141 7.538 -11.479 1.00 0.00 N ATOM 282 CA TYR A 19 -2.521 7.829 -11.847 1.00 0.00 C ATOM 283 C TYR A 19 -3.475 6.807 -11.237 1.00 0.00 C ATOM 284 O TYR A 19 -4.664 7.075 -11.068 1.00 0.00 O ATOM 285 CB TYR A 19 -2.674 7.840 -13.369 1.00 0.00 C ATOM 286 CG TYR A 19 -3.139 6.520 -13.941 1.00 0.00 C ATOM 287 CD1 TYR A 19 -4.484 6.171 -13.928 1.00 0.00 C ATOM 288 CD2 TYR A 19 -2.234 5.621 -14.492 1.00 0.00 C ATOM 289 CE1 TYR A 19 -4.914 4.965 -14.449 1.00 0.00 C ATOM 290 CE2 TYR A 19 -2.656 4.414 -15.015 1.00 0.00 C ATOM 291 CZ TYR A 19 -3.996 4.091 -14.991 1.00 0.00 C ATOM 292 OH TYR A 19 -4.420 2.889 -15.511 1.00 0.00 O ATOM 0 H TYR A 19 -0.539 7.290 -12.264 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.774 8.814 -11.456 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.385 8.618 -13.649 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.718 8.105 -13.820 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.206 6.853 -13.504 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.183 5.870 -14.512 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.963 4.709 -14.432 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.940 3.727 -15.441 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.290 2.181 -14.846 1.00 0.00 H new ATOM 302 N MET A 20 -2.944 5.635 -10.907 1.00 0.00 N ATOM 303 CA MET A 20 -3.747 4.572 -10.313 1.00 0.00 C ATOM 304 C MET A 20 -3.956 4.817 -8.822 1.00 0.00 C ATOM 305 O MET A 20 -5.048 4.606 -8.296 1.00 0.00 O ATOM 306 CB MET A 20 -3.075 3.215 -10.529 1.00 0.00 C ATOM 307 CG MET A 20 -2.887 2.856 -11.994 1.00 0.00 C ATOM 308 SD MET A 20 -4.006 1.552 -12.540 1.00 0.00 S ATOM 309 CE MET A 20 -5.571 2.423 -12.532 1.00 0.00 C ATOM 0 H MET A 20 -1.961 5.397 -11.041 1.00 0.00 H new ATOM 0 HA MET A 20 -4.721 4.569 -10.803 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.103 3.218 -10.036 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.674 2.442 -10.048 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.046 3.745 -12.605 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.857 2.537 -12.157 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.239 1.963 -11.804 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.405 3.467 -12.264 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.022 2.370 -13.523 1.00 0.00 H new ATOM 319 N ALA A 21 -2.902 5.264 -8.147 1.00 0.00 N ATOM 320 CA ALA A 21 -2.971 5.539 -6.717 1.00 0.00 C ATOM 321 C ALA A 21 -3.873 6.735 -6.431 1.00 0.00 C ATOM 322 O ALA A 21 -4.674 6.713 -5.496 1.00 0.00 O ATOM 323 CB ALA A 21 -1.577 5.782 -6.158 1.00 0.00 C ATOM 0 H ALA A 21 -1.990 5.443 -8.568 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.401 4.667 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.644 5.986 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.961 4.898 -6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.126 6.636 -6.663 1.00 0.00 H new ATOM 329 N THR A 22 -3.738 7.779 -7.242 1.00 0.00 N ATOM 330 CA THR A 22 -4.539 8.985 -7.075 1.00 0.00 C ATOM 331 C THR A 22 -6.006 8.719 -7.392 1.00 0.00 C ATOM 332 O THR A 22 -6.874 9.536 -7.089 1.00 0.00 O ATOM 333 CB THR A 22 -4.031 10.127 -7.976 1.00 0.00 C ATOM 334 OG1 THR A 22 -4.713 11.344 -7.655 1.00 0.00 O ATOM 335 CG2 THR A 22 -4.242 9.793 -9.445 1.00 0.00 C ATOM 0 H THR A 22 -3.081 7.814 -8.022 1.00 0.00 H new ATOM 0 HA THR A 22 -4.443 9.285 -6.031 1.00 0.00 H new ATOM 0 HB THR A 22 -2.963 10.252 -7.799 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.638 11.144 -7.403 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.876 10.614 -10.061 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.697 8.882 -9.693 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.305 9.643 -9.635 1.00 0.00 H new ATOM 343 N GLN A 23 -6.276 7.569 -8.004 1.00 0.00 N ATOM 344 CA GLN A 23 -7.639 7.196 -8.361 1.00 0.00 C ATOM 345 C GLN A 23 -8.262 6.314 -7.284 1.00 0.00 C ATOM 346 O GLN A 23 -9.431 5.942 -7.372 1.00 0.00 O ATOM 347 CB GLN A 23 -7.655 6.467 -9.706 1.00 0.00 C ATOM 348 CG GLN A 23 -7.688 7.402 -10.904 1.00 0.00 C ATOM 349 CD GLN A 23 -8.974 8.200 -10.986 1.00 0.00 C ATOM 350 OE1 GLN A 23 -9.957 7.756 -11.580 1.00 0.00 O ATOM 351 NE2 GLN A 23 -8.974 9.386 -10.388 1.00 0.00 N ATOM 0 H GLN A 23 -5.569 6.881 -8.262 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.229 8.109 -8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.772 5.831 -9.776 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.524 5.811 -9.744 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.842 8.088 -10.848 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.567 6.820 -11.818 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.137 9.715 -9.907 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.811 9.968 -10.410 1.00 0.00 H new ATOM 360 N GLY A 24 -7.472 5.983 -6.267 1.00 0.00 N ATOM 361 CA GLY A 24 -7.964 5.147 -5.187 1.00 0.00 C ATOM 362 C GLY A 24 -7.494 3.711 -5.306 1.00 0.00 C ATOM 363 O GLY A 24 -7.922 2.845 -4.542 1.00 0.00 O ATOM 0 H GLY A 24 -6.500 6.279 -6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.631 5.557 -4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.054 5.170 -5.181 1.00 0.00 H new ATOM 367 N VAL A 25 -6.611 3.457 -6.266 1.00 0.00 N ATOM 368 CA VAL A 25 -6.082 2.115 -6.483 1.00 0.00 C ATOM 369 C VAL A 25 -4.571 2.082 -6.287 1.00 0.00 C ATOM 370 O VAL A 25 -3.820 2.656 -7.076 1.00 0.00 O ATOM 371 CB VAL A 25 -6.417 1.601 -7.895 1.00 0.00 C ATOM 372 CG1 VAL A 25 -6.195 0.099 -7.984 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.848 1.960 -8.267 1.00 0.00 C ATOM 0 H VAL A 25 -6.247 4.163 -6.906 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.555 1.465 -5.747 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.748 2.085 -8.607 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.437 -0.246 -8.989 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.152 -0.128 -7.764 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.837 -0.407 -7.263 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.068 1.589 -9.268 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.535 1.505 -7.553 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.968 3.043 -8.247 1.00 0.00 H new ATOM 383 N ILE A 26 -4.131 1.407 -5.230 1.00 0.00 N ATOM 384 CA ILE A 26 -2.709 1.298 -4.931 1.00 0.00 C ATOM 385 C ILE A 26 -2.052 0.211 -5.775 1.00 0.00 C ATOM 386 O ILE A 26 -2.567 -0.903 -5.883 1.00 0.00 O ATOM 387 CB ILE A 26 -2.468 0.991 -3.441 1.00 0.00 C ATOM 388 CG1 ILE A 26 -3.066 2.096 -2.567 1.00 0.00 C ATOM 389 CG2 ILE A 26 -0.980 0.838 -3.165 1.00 0.00 C ATOM 390 CD1 ILE A 26 -2.493 3.467 -2.851 1.00 0.00 C ATOM 0 H ILE A 26 -4.739 0.927 -4.567 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.261 2.262 -5.171 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.962 0.051 -3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.145 2.124 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.897 1.850 -1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.826 0.621 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.581 0.020 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.465 1.763 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.962 4.200 -2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.418 3.456 -2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.685 3.734 -3.890 1.00 0.00 H new ATOM 402 N LEU A 27 -0.911 0.541 -6.370 1.00 0.00 N ATOM 403 CA LEU A 27 -0.181 -0.408 -7.203 1.00 0.00 C ATOM 404 C LEU A 27 1.269 -0.533 -6.744 1.00 0.00 C ATOM 405 O LEU A 27 1.781 0.326 -6.026 1.00 0.00 O ATOM 406 CB LEU A 27 -0.228 0.028 -8.669 1.00 0.00 C ATOM 407 CG LEU A 27 -1.451 -0.426 -9.466 1.00 0.00 C ATOM 408 CD1 LEU A 27 -1.430 -1.934 -9.662 1.00 0.00 C ATOM 409 CD2 LEU A 27 -2.732 0.005 -8.767 1.00 0.00 C ATOM 0 H LEU A 27 -0.472 1.458 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.659 -1.383 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.179 1.116 -8.705 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.665 -0.348 -9.168 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.419 0.048 -10.447 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.308 -2.239 -10.231 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.529 -2.218 -10.205 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.438 -2.427 -8.690 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.593 -0.326 -9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.772 -0.441 -7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.750 1.091 -8.679 1.00 0.00 H new ATOM 421 N THR A 28 1.927 -1.609 -7.165 1.00 0.00 N ATOM 422 CA THR A 28 3.317 -1.846 -6.799 1.00 0.00 C ATOM 423 C THR A 28 4.178 -2.089 -8.034 1.00 0.00 C ATOM 424 O THR A 28 3.719 -2.674 -9.016 1.00 0.00 O ATOM 425 CB THR A 28 3.450 -3.052 -5.850 1.00 0.00 C ATOM 426 OG1 THR A 28 2.156 -3.460 -5.391 1.00 0.00 O ATOM 427 CG2 THR A 28 4.331 -2.709 -4.658 1.00 0.00 C ATOM 0 H THR A 28 1.519 -2.330 -7.760 1.00 0.00 H new ATOM 0 HA THR A 28 3.666 -0.949 -6.287 1.00 0.00 H new ATOM 0 HB THR A 28 3.914 -3.870 -6.401 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.650 -3.843 -6.138 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.410 -3.576 -4.002 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.324 -2.428 -5.009 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.891 -1.877 -4.108 1.00 0.00 H new ATOM 435 N ILE A 29 5.426 -1.637 -7.977 1.00 0.00 N ATOM 436 CA ILE A 29 6.350 -1.807 -9.091 1.00 0.00 C ATOM 437 C ILE A 29 7.613 -2.539 -8.651 1.00 0.00 C ATOM 438 O ILE A 29 8.104 -2.336 -7.541 1.00 0.00 O ATOM 439 CB ILE A 29 6.745 -0.451 -9.707 1.00 0.00 C ATOM 440 CG1 ILE A 29 5.511 0.256 -10.272 1.00 0.00 C ATOM 441 CG2 ILE A 29 7.793 -0.648 -10.793 1.00 0.00 C ATOM 442 CD1 ILE A 29 4.886 -0.465 -11.446 1.00 0.00 C ATOM 0 H ILE A 29 5.820 -1.151 -7.172 1.00 0.00 H new ATOM 0 HA ILE A 29 5.831 -2.402 -9.843 1.00 0.00 H new ATOM 0 HB ILE A 29 7.173 0.176 -8.925 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.768 0.359 -9.482 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.789 1.264 -10.581 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.062 0.319 -11.219 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.679 -1.114 -10.363 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.389 -1.290 -11.576 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.017 0.093 -11.795 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.614 -0.545 -12.253 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.576 -1.463 -11.137 1.00 0.00 H new ATOM 454 N GLN A 30 8.134 -3.390 -9.529 1.00 0.00 N ATOM 455 CA GLN A 30 9.341 -4.152 -9.231 1.00 0.00 C ATOM 456 C GLN A 30 10.429 -3.873 -10.262 1.00 0.00 C ATOM 457 O GLN A 30 10.384 -4.387 -11.379 1.00 0.00 O ATOM 458 CB GLN A 30 9.028 -5.649 -9.194 1.00 0.00 C ATOM 459 CG GLN A 30 8.857 -6.200 -7.787 1.00 0.00 C ATOM 460 CD GLN A 30 9.893 -7.251 -7.442 1.00 0.00 C ATOM 461 OE1 GLN A 30 9.877 -8.357 -7.982 1.00 0.00 O ATOM 462 NE2 GLN A 30 10.804 -6.909 -6.537 1.00 0.00 N ATOM 0 H GLN A 30 7.739 -3.569 -10.452 1.00 0.00 H new ATOM 0 HA GLN A 30 9.705 -3.840 -8.252 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.116 -5.835 -9.762 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.831 -6.192 -9.693 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.923 -5.382 -7.070 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.861 -6.631 -7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.780 -5.981 -6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 30 11.527 -7.575 -6.265 1.00 0.00 H new ATOM 471 N GLN A 31 11.405 -3.057 -9.878 1.00 0.00 N ATOM 472 CA GLN A 31 12.505 -2.709 -10.771 1.00 0.00 C ATOM 473 C GLN A 31 13.714 -3.604 -10.519 1.00 0.00 C ATOM 474 O GLN A 31 14.201 -3.704 -9.392 1.00 0.00 O ATOM 475 CB GLN A 31 12.894 -1.241 -10.588 1.00 0.00 C ATOM 476 CG GLN A 31 13.179 -0.520 -11.895 1.00 0.00 C ATOM 477 CD GLN A 31 14.265 0.529 -11.758 1.00 0.00 C ATOM 478 OE1 GLN A 31 15.134 0.655 -12.621 1.00 0.00 O ATOM 479 NE2 GLN A 31 14.221 1.289 -10.670 1.00 0.00 N ATOM 0 H GLN A 31 11.457 -2.625 -8.956 1.00 0.00 H new ATOM 0 HA GLN A 31 12.170 -2.863 -11.797 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.090 -0.723 -10.065 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.777 -1.184 -9.951 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.476 -1.248 -12.650 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.264 -0.046 -12.251 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.483 1.150 -9.980 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.926 2.012 -10.524 1.00 0.00 H new ATOM 536 N SER A 35 23.191 -6.060 -15.872 1.00 0.00 N ATOM 537 CA SER A 35 24.371 -5.606 -16.599 1.00 0.00 C ATOM 538 C SER A 35 25.123 -6.787 -17.205 1.00 0.00 C ATOM 539 O SER A 35 25.920 -7.441 -16.532 1.00 0.00 O ATOM 540 CB SER A 35 25.297 -4.820 -15.669 1.00 0.00 C ATOM 541 OG SER A 35 24.559 -3.939 -14.839 1.00 0.00 O ATOM 0 HA SER A 35 24.041 -4.954 -17.408 1.00 0.00 H new ATOM 0 HB2 SER A 35 25.870 -5.512 -15.052 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.015 -4.252 -16.261 1.00 0.00 H new ATOM 0 HG SER A 35 23.661 -4.302 -14.693 1.00 0.00 H new ATOM 547 N ASP A 36 24.863 -7.054 -18.480 1.00 0.00 N ATOM 548 CA ASP A 36 25.516 -8.155 -19.179 1.00 0.00 C ATOM 549 C ASP A 36 26.878 -7.727 -19.716 1.00 0.00 C ATOM 550 O ASP A 36 26.983 -6.759 -20.469 1.00 0.00 O ATOM 551 CB ASP A 36 24.635 -8.653 -20.326 1.00 0.00 C ATOM 552 CG ASP A 36 25.429 -9.385 -21.390 1.00 0.00 C ATOM 553 OD1 ASP A 36 26.373 -10.118 -21.027 1.00 0.00 O ATOM 554 OD2 ASP A 36 25.105 -9.226 -22.585 1.00 0.00 O ATOM 0 H ASP A 36 24.205 -6.523 -19.051 1.00 0.00 H new ATOM 0 HA ASP A 36 25.665 -8.967 -18.467 1.00 0.00 H new ATOM 0 HB2 ASP A 36 23.867 -9.317 -19.929 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.120 -7.806 -20.779 1.00 0.00 H new ATOM 559 N VAL A 37 27.919 -8.454 -19.322 1.00 0.00 N ATOM 560 CA VAL A 37 29.274 -8.149 -19.763 1.00 0.00 C ATOM 561 C VAL A 37 29.699 -9.065 -20.906 1.00 0.00 C ATOM 562 O VAL A 37 29.785 -10.282 -20.740 1.00 0.00 O ATOM 563 CB VAL A 37 30.285 -8.285 -18.609 1.00 0.00 C ATOM 564 CG1 VAL A 37 31.628 -7.688 -19.001 1.00 0.00 C ATOM 565 CG2 VAL A 37 29.745 -7.624 -17.349 1.00 0.00 C ATOM 0 H VAL A 37 27.849 -9.258 -18.698 1.00 0.00 H new ATOM 0 HA VAL A 37 29.268 -7.116 -20.111 1.00 0.00 H new ATOM 0 HB VAL A 37 30.434 -9.345 -18.402 1.00 0.00 H new ATOM 0 HG11 VAL A 37 32.329 -7.794 -18.173 1.00 0.00 H new ATOM 0 HG12 VAL A 37 32.017 -8.211 -19.875 1.00 0.00 H new ATOM 0 HG13 VAL A 37 31.502 -6.631 -19.237 1.00 0.00 H new ATOM 0 HG21 VAL A 37 30.471 -7.729 -16.543 1.00 0.00 H new ATOM 0 HG22 VAL A 37 29.567 -6.566 -17.541 1.00 0.00 H new ATOM 0 HG23 VAL A 37 28.810 -8.103 -17.059 1.00 0.00 H new ATOM 575 N TRP A 38 29.963 -8.473 -22.065 1.00 0.00 N ATOM 576 CA TRP A 38 30.380 -9.236 -23.236 1.00 0.00 C ATOM 577 C TRP A 38 31.684 -8.689 -23.806 1.00 0.00 C ATOM 578 O TRP A 38 31.909 -7.478 -23.817 1.00 0.00 O ATOM 579 CB TRP A 38 29.287 -9.203 -24.306 1.00 0.00 C ATOM 580 CG TRP A 38 28.379 -8.016 -24.192 1.00 0.00 C ATOM 581 CD1 TRP A 38 27.579 -7.695 -23.133 1.00 0.00 C ATOM 582 CD2 TRP A 38 28.178 -6.994 -25.174 1.00 0.00 C ATOM 583 NE1 TRP A 38 26.892 -6.535 -23.398 1.00 0.00 N ATOM 584 CE2 TRP A 38 27.243 -6.085 -24.643 1.00 0.00 C ATOM 585 CE3 TRP A 38 28.698 -6.757 -26.450 1.00 0.00 C ATOM 586 CZ2 TRP A 38 26.818 -4.960 -25.345 1.00 0.00 C ATOM 587 CZ3 TRP A 38 28.275 -5.641 -27.145 1.00 0.00 C ATOM 588 CH2 TRP A 38 27.343 -4.753 -26.591 1.00 0.00 C ATOM 0 H TRP A 38 29.896 -7.467 -22.219 1.00 0.00 H new ATOM 0 HA TRP A 38 30.546 -10.268 -22.927 1.00 0.00 H new ATOM 0 HB2 TRP A 38 29.753 -9.201 -25.291 1.00 0.00 H new ATOM 0 HB3 TRP A 38 28.693 -10.114 -24.236 1.00 0.00 H new ATOM 0 HD1 TRP A 38 27.498 -8.268 -22.221 1.00 0.00 H new ATOM 0 HE1 TRP A 38 26.228 -6.082 -22.769 1.00 0.00 H new ATOM 0 HE3 TRP A 38 29.418 -7.435 -26.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 26.099 -4.275 -24.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 28.669 -5.449 -28.132 1.00 0.00 H new ATOM 0 HH2 TRP A 38 27.033 -3.888 -27.159 1.00 0.00 H new ATOM 599 N LEU A 39 32.540 -9.588 -24.279 1.00 0.00 N ATOM 600 CA LEU A 39 33.823 -9.195 -24.852 1.00 0.00 C ATOM 601 C LEU A 39 33.880 -9.528 -26.339 1.00 0.00 C ATOM 602 O LEU A 39 33.205 -10.444 -26.807 1.00 0.00 O ATOM 603 CB LEU A 39 34.968 -9.894 -24.116 1.00 0.00 C ATOM 604 CG LEU A 39 36.343 -9.805 -24.778 1.00 0.00 C ATOM 605 CD1 LEU A 39 36.865 -8.377 -24.735 1.00 0.00 C ATOM 606 CD2 LEU A 39 37.323 -10.753 -24.101 1.00 0.00 C ATOM 0 H LEU A 39 32.369 -10.594 -24.277 1.00 0.00 H new ATOM 0 HA LEU A 39 33.930 -8.116 -24.736 1.00 0.00 H new ATOM 0 HB2 LEU A 39 35.041 -9.471 -23.114 1.00 0.00 H new ATOM 0 HB3 LEU A 39 34.710 -10.947 -24.000 1.00 0.00 H new ATOM 0 HG LEU A 39 36.242 -10.102 -25.822 1.00 0.00 H new ATOM 0 HD11 LEU A 39 37.845 -8.333 -25.211 1.00 0.00 H new ATOM 0 HD12 LEU A 39 36.174 -7.721 -25.265 1.00 0.00 H new ATOM 0 HD13 LEU A 39 36.950 -8.052 -23.698 1.00 0.00 H new ATOM 0 HD21 LEU A 39 38.297 -10.677 -24.585 1.00 0.00 H new ATOM 0 HD22 LEU A 39 37.419 -10.486 -23.049 1.00 0.00 H new ATOM 0 HD23 LEU A 39 36.956 -11.776 -24.184 1.00 0.00 H new ATOM 618 N ALA A 40 34.693 -8.779 -27.078 1.00 0.00 N ATOM 619 CA ALA A 40 34.842 -8.998 -28.511 1.00 0.00 C ATOM 620 C ALA A 40 36.141 -9.734 -28.822 1.00 0.00 C ATOM 621 O ALA A 40 36.234 -10.458 -29.813 1.00 0.00 O ATOM 622 CB ALA A 40 34.793 -7.672 -29.255 1.00 0.00 C ATOM 0 H ALA A 40 35.258 -8.015 -26.707 1.00 0.00 H new ATOM 0 HA ALA A 40 34.013 -9.621 -28.847 1.00 0.00 H new ATOM 0 HB1 ALA A 40 34.906 -7.850 -30.324 1.00 0.00 H new ATOM 0 HB2 ALA A 40 33.836 -7.185 -29.067 1.00 0.00 H new ATOM 0 HB3 ALA A 40 35.602 -7.030 -28.907 1.00 0.00 H new ATOM 628 N ASP A 41 37.142 -9.543 -27.970 1.00 0.00 N ATOM 629 CA ASP A 41 38.437 -10.189 -28.153 1.00 0.00 C ATOM 630 C ASP A 41 38.460 -11.560 -27.484 1.00 0.00 C ATOM 631 O ASP A 41 38.871 -11.691 -26.332 1.00 0.00 O ATOM 632 CB ASP A 41 39.553 -9.312 -27.586 1.00 0.00 C ATOM 633 CG ASP A 41 40.926 -9.734 -28.072 1.00 0.00 C ATOM 634 OD1 ASP A 41 41.226 -10.945 -28.020 1.00 0.00 O ATOM 635 OD2 ASP A 41 41.699 -8.854 -28.504 1.00 0.00 O ATOM 0 H ASP A 41 37.082 -8.946 -27.145 1.00 0.00 H new ATOM 0 HA ASP A 41 38.600 -10.324 -29.222 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.374 -8.274 -27.868 1.00 0.00 H new ATOM 0 HB3 ASP A 41 39.527 -9.355 -26.497 1.00 0.00 H new ATOM 640 N GLU A 42 38.014 -12.577 -28.215 1.00 0.00 N ATOM 641 CA GLU A 42 37.982 -13.937 -27.691 1.00 0.00 C ATOM 642 C GLU A 42 39.324 -14.312 -27.069 1.00 0.00 C ATOM 643 O GLU A 42 39.378 -14.893 -25.985 1.00 0.00 O ATOM 644 CB GLU A 42 37.627 -14.927 -28.802 1.00 0.00 C ATOM 645 CG GLU A 42 36.287 -14.648 -29.461 1.00 0.00 C ATOM 646 CD GLU A 42 36.242 -15.103 -30.907 1.00 0.00 C ATOM 647 OE1 GLU A 42 36.654 -14.319 -31.788 1.00 0.00 O ATOM 648 OE2 GLU A 42 35.796 -16.242 -31.158 1.00 0.00 O ATOM 0 H GLU A 42 37.670 -12.485 -29.171 1.00 0.00 H new ATOM 0 HA GLU A 42 37.217 -13.983 -26.916 1.00 0.00 H new ATOM 0 HB2 GLU A 42 38.408 -14.903 -29.562 1.00 0.00 H new ATOM 0 HB3 GLU A 42 37.616 -15.935 -28.388 1.00 0.00 H new ATOM 0 HG2 GLU A 42 35.499 -15.152 -28.901 1.00 0.00 H new ATOM 0 HG3 GLU A 42 36.079 -13.579 -29.414 1.00 0.00 H new ATOM 655 N SER A 43 40.406 -13.976 -27.764 1.00 0.00 N ATOM 656 CA SER A 43 41.749 -14.281 -27.284 1.00 0.00 C ATOM 657 C SER A 43 41.967 -13.712 -25.885 1.00 0.00 C ATOM 658 O SER A 43 42.677 -14.300 -25.069 1.00 0.00 O ATOM 659 CB SER A 43 42.797 -13.718 -28.245 1.00 0.00 C ATOM 660 OG SER A 43 42.337 -13.761 -29.585 1.00 0.00 O ATOM 0 H SER A 43 40.379 -13.492 -28.662 1.00 0.00 H new ATOM 0 HA SER A 43 41.855 -15.365 -27.238 1.00 0.00 H new ATOM 0 HB2 SER A 43 43.031 -12.689 -27.971 1.00 0.00 H new ATOM 0 HB3 SER A 43 43.721 -14.290 -28.156 1.00 0.00 H new ATOM 0 HG SER A 43 41.894 -12.915 -29.806 1.00 0.00 H new ATOM 666 N GLN A 44 41.352 -12.565 -25.617 1.00 0.00 N ATOM 667 CA GLN A 44 41.479 -11.917 -24.317 1.00 0.00 C ATOM 668 C GLN A 44 40.421 -12.430 -23.346 1.00 0.00 C ATOM 669 O GLN A 44 40.508 -12.200 -22.140 1.00 0.00 O ATOM 670 CB GLN A 44 41.358 -10.399 -24.467 1.00 0.00 C ATOM 671 CG GLN A 44 42.550 -9.636 -23.912 1.00 0.00 C ATOM 672 CD GLN A 44 43.869 -10.122 -24.477 1.00 0.00 C ATOM 673 OE1 GLN A 44 44.577 -10.907 -23.845 1.00 0.00 O ATOM 674 NE2 GLN A 44 44.208 -9.659 -25.675 1.00 0.00 N ATOM 0 H GLN A 44 40.761 -12.066 -26.282 1.00 0.00 H new ATOM 0 HA GLN A 44 42.462 -12.159 -23.914 1.00 0.00 H new ATOM 0 HB2 GLN A 44 41.240 -10.155 -25.523 1.00 0.00 H new ATOM 0 HB3 GLN A 44 40.454 -10.063 -23.959 1.00 0.00 H new ATOM 0 HG2 GLN A 44 42.433 -8.575 -24.134 1.00 0.00 H new ATOM 0 HG3 GLN A 44 42.566 -9.734 -22.827 1.00 0.00 H new ATOM 0 HE21 GLN A 44 43.592 -9.010 -26.164 1.00 0.00 H new ATOM 0 HE22 GLN A 44 45.085 -9.953 -26.106 1.00 0.00 H new ATOM 683 N ALA A 45 39.422 -13.125 -23.880 1.00 0.00 N ATOM 684 CA ALA A 45 38.348 -13.672 -23.061 1.00 0.00 C ATOM 685 C ALA A 45 38.905 -14.486 -21.898 1.00 0.00 C ATOM 686 O ALA A 45 38.340 -14.489 -20.805 1.00 0.00 O ATOM 687 CB ALA A 45 37.419 -14.527 -23.910 1.00 0.00 C ATOM 0 H ALA A 45 39.334 -13.322 -24.877 1.00 0.00 H new ATOM 0 HA ALA A 45 37.779 -12.839 -22.648 1.00 0.00 H new ATOM 0 HB1 ALA A 45 36.622 -14.929 -23.285 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.986 -13.917 -24.703 1.00 0.00 H new ATOM 0 HB3 ALA A 45 37.983 -15.349 -24.352 1.00 0.00 H new ATOM 693 N GLU A 46 40.015 -15.175 -22.143 1.00 0.00 N ATOM 694 CA GLU A 46 40.646 -15.995 -21.115 1.00 0.00 C ATOM 695 C GLU A 46 41.198 -15.126 -19.989 1.00 0.00 C ATOM 696 O GLU A 46 40.956 -15.389 -18.811 1.00 0.00 O ATOM 697 CB GLU A 46 41.770 -16.838 -21.722 1.00 0.00 C ATOM 698 CG GLU A 46 41.305 -17.760 -22.836 1.00 0.00 C ATOM 699 CD GLU A 46 42.398 -18.053 -23.845 1.00 0.00 C ATOM 700 OE1 GLU A 46 43.487 -18.501 -23.429 1.00 0.00 O ATOM 701 OE2 GLU A 46 42.164 -17.833 -25.053 1.00 0.00 O ATOM 0 H GLU A 46 40.495 -15.182 -23.043 1.00 0.00 H new ATOM 0 HA GLU A 46 39.888 -16.659 -20.700 1.00 0.00 H new ATOM 0 HB2 GLU A 46 42.542 -16.174 -22.110 1.00 0.00 H new ATOM 0 HB3 GLU A 46 42.230 -17.436 -20.935 1.00 0.00 H new ATOM 0 HG2 GLU A 46 40.954 -18.697 -22.404 1.00 0.00 H new ATOM 0 HG3 GLU A 46 40.456 -17.307 -23.347 1.00 0.00 H new ATOM 708 N ARG A 47 41.943 -14.089 -20.361 1.00 0.00 N ATOM 709 CA ARG A 47 42.532 -13.182 -19.383 1.00 0.00 C ATOM 710 C ARG A 47 41.452 -12.548 -18.511 1.00 0.00 C ATOM 711 O ARG A 47 41.503 -12.630 -17.283 1.00 0.00 O ATOM 712 CB ARG A 47 43.338 -12.090 -20.089 1.00 0.00 C ATOM 713 CG ARG A 47 43.934 -11.064 -19.141 1.00 0.00 C ATOM 714 CD ARG A 47 43.094 -9.797 -19.091 1.00 0.00 C ATOM 715 NE ARG A 47 43.544 -8.882 -18.045 1.00 0.00 N ATOM 716 CZ ARG A 47 44.656 -8.160 -18.130 1.00 0.00 C ATOM 717 NH1 ARG A 47 45.426 -8.246 -19.206 1.00 0.00 N ATOM 718 NH2 ARG A 47 44.999 -7.350 -17.137 1.00 0.00 N ATOM 0 H ARG A 47 42.153 -13.857 -21.332 1.00 0.00 H new ATOM 0 HA ARG A 47 43.199 -13.760 -18.744 1.00 0.00 H new ATOM 0 HB2 ARG A 47 44.142 -12.555 -20.659 1.00 0.00 H new ATOM 0 HB3 ARG A 47 42.693 -11.580 -20.805 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.009 -11.492 -18.141 1.00 0.00 H new ATOM 0 HG3 ARG A 47 44.947 -10.818 -19.460 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.139 -9.294 -20.057 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.051 -10.061 -18.918 1.00 0.00 H new ATOM 0 HE ARG A 47 42.974 -8.793 -17.204 1.00 0.00 H new ATOM 0 HH11 ARG A 47 45.165 -8.868 -19.971 1.00 0.00 H new ATOM 0 HH12 ARG A 47 46.279 -7.690 -19.268 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.409 -7.281 -16.308 1.00 0.00 H new ATOM 0 HH22 ARG A 47 45.853 -6.796 -17.203 1.00 0.00 H new ATOM 732 N VAL A 48 40.476 -11.915 -19.153 1.00 0.00 N ATOM 733 CA VAL A 48 39.383 -11.267 -18.436 1.00 0.00 C ATOM 734 C VAL A 48 38.675 -12.249 -17.510 1.00 0.00 C ATOM 735 O VAL A 48 38.311 -11.906 -16.385 1.00 0.00 O ATOM 736 CB VAL A 48 38.354 -10.662 -19.409 1.00 0.00 C ATOM 737 CG1 VAL A 48 38.969 -9.509 -20.188 1.00 0.00 C ATOM 738 CG2 VAL A 48 37.823 -11.730 -20.354 1.00 0.00 C ATOM 0 H VAL A 48 40.419 -11.837 -20.168 1.00 0.00 H new ATOM 0 HA VAL A 48 39.824 -10.466 -17.842 1.00 0.00 H new ATOM 0 HB VAL A 48 37.517 -10.272 -18.829 1.00 0.00 H new ATOM 0 HG11 VAL A 48 38.227 -9.094 -20.870 1.00 0.00 H new ATOM 0 HG12 VAL A 48 39.297 -8.735 -19.494 1.00 0.00 H new ATOM 0 HG13 VAL A 48 39.824 -9.871 -20.758 1.00 0.00 H new ATOM 0 HG21 VAL A 48 37.097 -11.285 -21.035 1.00 0.00 H new ATOM 0 HG22 VAL A 48 38.648 -12.151 -20.928 1.00 0.00 H new ATOM 0 HG23 VAL A 48 37.343 -12.520 -19.777 1.00 0.00 H new ATOM 748 N ARG A 49 38.482 -13.473 -17.991 1.00 0.00 N ATOM 749 CA ARG A 49 37.816 -14.506 -17.207 1.00 0.00 C ATOM 750 C ARG A 49 38.547 -14.744 -15.889 1.00 0.00 C ATOM 751 O ARG A 49 37.946 -14.700 -14.816 1.00 0.00 O ATOM 752 CB ARG A 49 37.738 -15.810 -18.002 1.00 0.00 C ATOM 753 CG ARG A 49 36.441 -15.974 -18.777 1.00 0.00 C ATOM 754 CD ARG A 49 36.642 -16.813 -20.029 1.00 0.00 C ATOM 755 NE ARG A 49 35.657 -17.886 -20.134 1.00 0.00 N ATOM 756 CZ ARG A 49 35.492 -18.628 -21.224 1.00 0.00 C ATOM 757 NH1 ARG A 49 36.243 -18.415 -22.295 1.00 0.00 N ATOM 758 NH2 ARG A 49 34.574 -19.586 -21.242 1.00 0.00 N ATOM 0 H ARG A 49 38.777 -13.773 -18.920 1.00 0.00 H new ATOM 0 HA ARG A 49 36.805 -14.163 -16.986 1.00 0.00 H new ATOM 0 HB2 ARG A 49 38.575 -15.852 -18.699 1.00 0.00 H new ATOM 0 HB3 ARG A 49 37.851 -16.650 -17.317 1.00 0.00 H new ATOM 0 HG2 ARG A 49 35.692 -16.444 -18.139 1.00 0.00 H new ATOM 0 HG3 ARG A 49 36.055 -14.993 -19.053 1.00 0.00 H new ATOM 0 HD2 ARG A 49 36.575 -16.173 -20.909 1.00 0.00 H new ATOM 0 HD3 ARG A 49 37.644 -17.241 -20.021 1.00 0.00 H new ATOM 0 HE ARG A 49 35.063 -18.076 -19.327 1.00 0.00 H new ATOM 0 HH11 ARG A 49 36.950 -17.680 -22.284 1.00 0.00 H new ATOM 0 HH12 ARG A 49 36.114 -18.986 -23.130 1.00 0.00 H new ATOM 0 HH21 ARG A 49 33.995 -19.753 -20.419 1.00 0.00 H new ATOM 0 HH22 ARG A 49 34.447 -20.155 -22.079 1.00 0.00 H new ATOM 772 N ALA A 50 39.849 -14.998 -15.978 1.00 0.00 N ATOM 773 CA ALA A 50 40.663 -15.242 -14.794 1.00 0.00 C ATOM 774 C ALA A 50 40.618 -14.051 -13.842 1.00 0.00 C ATOM 775 O ALA A 50 40.195 -14.180 -12.693 1.00 0.00 O ATOM 776 CB ALA A 50 42.099 -15.546 -15.194 1.00 0.00 C ATOM 0 H ALA A 50 40.362 -15.040 -16.858 1.00 0.00 H new ATOM 0 HA ALA A 50 40.252 -16.107 -14.273 1.00 0.00 H new ATOM 0 HB1 ALA A 50 42.695 -15.726 -14.300 1.00 0.00 H new ATOM 0 HB2 ALA A 50 42.120 -16.432 -15.829 1.00 0.00 H new ATOM 0 HB3 ALA A 50 42.512 -14.698 -15.741 1.00 0.00 H new ATOM 782 N GLU A 51 41.056 -12.894 -14.328 1.00 0.00 N ATOM 783 CA GLU A 51 41.066 -11.681 -13.518 1.00 0.00 C ATOM 784 C GLU A 51 39.694 -11.428 -12.900 1.00 0.00 C ATOM 785 O GLU A 51 39.582 -11.136 -11.709 1.00 0.00 O ATOM 786 CB GLU A 51 41.486 -10.479 -14.366 1.00 0.00 C ATOM 787 CG GLU A 51 42.838 -10.650 -15.038 1.00 0.00 C ATOM 788 CD GLU A 51 43.833 -11.390 -14.166 1.00 0.00 C ATOM 789 OE1 GLU A 51 44.010 -10.991 -12.996 1.00 0.00 O ATOM 790 OE2 GLU A 51 44.435 -12.370 -14.654 1.00 0.00 O ATOM 0 H GLU A 51 41.408 -12.771 -15.277 1.00 0.00 H new ATOM 0 HA GLU A 51 41.788 -11.818 -12.713 1.00 0.00 H new ATOM 0 HB2 GLU A 51 40.730 -10.303 -15.131 1.00 0.00 H new ATOM 0 HB3 GLU A 51 41.514 -9.591 -13.734 1.00 0.00 H new ATOM 0 HG2 GLU A 51 42.708 -11.192 -15.975 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.241 -9.669 -15.290 1.00 0.00 H new ATOM 797 N LEU A 52 38.654 -11.541 -13.718 1.00 0.00 N ATOM 798 CA LEU A 52 37.288 -11.324 -13.253 1.00 0.00 C ATOM 799 C LEU A 52 36.990 -12.174 -12.022 1.00 0.00 C ATOM 800 O LEU A 52 36.630 -11.652 -10.968 1.00 0.00 O ATOM 801 CB LEU A 52 36.292 -11.652 -14.367 1.00 0.00 C ATOM 802 CG LEU A 52 34.817 -11.420 -14.037 1.00 0.00 C ATOM 803 CD1 LEU A 52 34.072 -10.900 -15.257 1.00 0.00 C ATOM 804 CD2 LEU A 52 34.176 -12.702 -13.525 1.00 0.00 C ATOM 0 H LEU A 52 38.730 -11.782 -14.706 1.00 0.00 H new ATOM 0 HA LEU A 52 37.186 -10.274 -12.979 1.00 0.00 H new ATOM 0 HB2 LEU A 52 36.546 -11.054 -15.242 1.00 0.00 H new ATOM 0 HB3 LEU A 52 36.421 -12.698 -14.647 1.00 0.00 H new ATOM 0 HG LEU A 52 34.755 -10.668 -13.251 1.00 0.00 H new ATOM 0 HD11 LEU A 52 33.024 -10.741 -15.003 1.00 0.00 H new ATOM 0 HD12 LEU A 52 34.514 -9.957 -15.579 1.00 0.00 H new ATOM 0 HD13 LEU A 52 34.143 -11.629 -16.065 1.00 0.00 H new ATOM 0 HD21 LEU A 52 33.127 -12.518 -13.295 1.00 0.00 H new ATOM 0 HD22 LEU A 52 34.250 -13.476 -14.289 1.00 0.00 H new ATOM 0 HD23 LEU A 52 34.692 -13.032 -12.623 1.00 0.00 H new ATOM 816 N ALA A 53 37.146 -13.487 -12.164 1.00 0.00 N ATOM 817 CA ALA A 53 36.898 -14.408 -11.062 1.00 0.00 C ATOM 818 C ALA A 53 37.698 -14.014 -9.826 1.00 0.00 C ATOM 819 O ALA A 53 37.217 -14.135 -8.699 1.00 0.00 O ATOM 820 CB ALA A 53 37.235 -15.832 -11.480 1.00 0.00 C ATOM 0 H ALA A 53 37.443 -13.936 -13.031 1.00 0.00 H new ATOM 0 HA ALA A 53 35.839 -14.356 -10.808 1.00 0.00 H new ATOM 0 HB1 ALA A 53 37.045 -16.510 -10.648 1.00 0.00 H new ATOM 0 HB2 ALA A 53 36.615 -16.118 -12.330 1.00 0.00 H new ATOM 0 HB3 ALA A 53 38.286 -15.889 -11.762 1.00 0.00 H new ATOM 826 N ARG A 54 38.921 -13.543 -10.044 1.00 0.00 N ATOM 827 CA ARG A 54 39.789 -13.133 -8.946 1.00 0.00 C ATOM 828 C ARG A 54 39.323 -11.807 -8.351 1.00 0.00 C ATOM 829 O ARG A 54 39.624 -11.492 -7.199 1.00 0.00 O ATOM 830 CB ARG A 54 41.235 -13.007 -9.430 1.00 0.00 C ATOM 831 CG ARG A 54 41.896 -14.342 -9.729 1.00 0.00 C ATOM 832 CD ARG A 54 43.106 -14.175 -10.635 1.00 0.00 C ATOM 833 NE ARG A 54 44.317 -14.730 -10.038 1.00 0.00 N ATOM 834 CZ ARG A 54 44.611 -16.026 -10.041 1.00 0.00 C ATOM 835 NH1 ARG A 54 43.785 -16.894 -10.607 1.00 0.00 N ATOM 836 NH2 ARG A 54 45.733 -16.454 -9.477 1.00 0.00 N ATOM 0 H ARG A 54 39.334 -13.436 -10.971 1.00 0.00 H new ATOM 0 HA ARG A 54 39.738 -13.898 -8.171 1.00 0.00 H new ATOM 0 HB2 ARG A 54 41.256 -12.392 -10.329 1.00 0.00 H new ATOM 0 HB3 ARG A 54 41.818 -12.484 -8.672 1.00 0.00 H new ATOM 0 HG2 ARG A 54 42.202 -14.815 -8.796 1.00 0.00 H new ATOM 0 HG3 ARG A 54 41.175 -15.008 -10.203 1.00 0.00 H new ATOM 0 HD2 ARG A 54 42.915 -14.666 -11.589 1.00 0.00 H new ATOM 0 HD3 ARG A 54 43.258 -13.116 -10.846 1.00 0.00 H new ATOM 0 HE ARG A 54 44.974 -14.088 -9.594 1.00 0.00 H new ATOM 0 HH11 ARG A 54 42.922 -16.568 -11.041 1.00 0.00 H new ATOM 0 HH12 ARG A 54 44.013 -17.888 -10.608 1.00 0.00 H new ATOM 0 HH21 ARG A 54 46.371 -15.788 -9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 54 45.958 -17.449 -9.480 1.00 0.00 H new ATOM 850 N PHE A 55 38.588 -11.034 -9.144 1.00 0.00 N ATOM 851 CA PHE A 55 38.082 -9.742 -8.696 1.00 0.00 C ATOM 852 C PHE A 55 36.750 -9.902 -7.969 1.00 0.00 C ATOM 853 O PHE A 55 36.484 -9.220 -6.978 1.00 0.00 O ATOM 854 CB PHE A 55 37.915 -8.796 -9.887 1.00 0.00 C ATOM 855 CG PHE A 55 37.951 -7.343 -9.507 1.00 0.00 C ATOM 856 CD1 PHE A 55 39.013 -6.830 -8.779 1.00 0.00 C ATOM 857 CD2 PHE A 55 36.924 -6.491 -9.878 1.00 0.00 C ATOM 858 CE1 PHE A 55 39.049 -5.493 -8.429 1.00 0.00 C ATOM 859 CE2 PHE A 55 36.955 -5.153 -9.531 1.00 0.00 C ATOM 860 CZ PHE A 55 38.019 -4.654 -8.804 1.00 0.00 C ATOM 0 H PHE A 55 38.330 -11.280 -10.100 1.00 0.00 H new ATOM 0 HA PHE A 55 38.806 -9.317 -8.001 1.00 0.00 H new ATOM 0 HB2 PHE A 55 38.705 -8.994 -10.612 1.00 0.00 H new ATOM 0 HB3 PHE A 55 36.968 -9.011 -10.382 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.821 -7.482 -8.482 1.00 0.00 H new ATOM 0 HD2 PHE A 55 36.089 -6.876 -10.445 1.00 0.00 H new ATOM 0 HE1 PHE A 55 39.883 -5.105 -7.862 1.00 0.00 H new ATOM 0 HE2 PHE A 55 36.149 -4.499 -9.828 1.00 0.00 H new ATOM 0 HZ PHE A 55 38.045 -3.610 -8.530 1.00 0.00 H new ATOM 989 N MET B 1 32.051 -12.234 -30.566 1.00 0.00 N ATOM 990 CA MET B 1 31.643 -11.710 -29.268 1.00 0.00 C ATOM 991 C MET B 1 31.330 -12.845 -28.297 1.00 0.00 C ATOM 992 O MET B 1 30.463 -13.679 -28.561 1.00 0.00 O ATOM 993 CB MET B 1 30.421 -10.802 -29.421 1.00 0.00 C ATOM 994 CG MET B 1 30.677 -9.580 -30.288 1.00 0.00 C ATOM 995 SD MET B 1 30.396 -8.032 -29.407 1.00 0.00 S ATOM 996 CE MET B 1 31.504 -8.230 -28.014 1.00 0.00 C ATOM 0 H1 MET B 1 32.615 -11.519 -31.067 1.00 0.00 H new ATOM 0 H2 MET B 1 32.622 -13.092 -30.430 1.00 0.00 H new ATOM 0 H3 MET B 1 31.207 -12.465 -31.128 1.00 0.00 H new ATOM 0 HA MET B 1 32.471 -11.127 -28.863 1.00 0.00 H new ATOM 0 HB2 MET B 1 29.602 -11.378 -29.852 1.00 0.00 H new ATOM 0 HB3 MET B 1 30.096 -10.475 -28.433 1.00 0.00 H new ATOM 0 HG2 MET B 1 31.704 -9.606 -30.651 1.00 0.00 H new ATOM 0 HG3 MET B 1 30.029 -9.618 -31.163 1.00 0.00 H new ATOM 0 HE1 MET B 1 31.915 -7.260 -27.735 1.00 0.00 H new ATOM 0 HE2 MET B 1 30.956 -8.648 -27.170 1.00 0.00 H new ATOM 0 HE3 MET B 1 32.317 -8.903 -28.288 1.00 0.00 H new ATOM 1006 N LEU B 2 32.040 -12.870 -27.175 1.00 0.00 N ATOM 1007 CA LEU B 2 31.838 -13.904 -26.165 1.00 0.00 C ATOM 1008 C LEU B 2 31.441 -13.287 -24.828 1.00 0.00 C ATOM 1009 O LEU B 2 32.193 -12.506 -24.246 1.00 0.00 O ATOM 1010 CB LEU B 2 33.109 -14.737 -25.998 1.00 0.00 C ATOM 1011 CG LEU B 2 32.905 -16.237 -25.785 1.00 0.00 C ATOM 1012 CD1 LEU B 2 34.242 -16.936 -25.591 1.00 0.00 C ATOM 1013 CD2 LEU B 2 31.993 -16.487 -24.593 1.00 0.00 C ATOM 0 H LEU B 2 32.760 -12.187 -26.941 1.00 0.00 H new ATOM 0 HA LEU B 2 31.028 -14.552 -26.500 1.00 0.00 H new ATOM 0 HB2 LEU B 2 33.730 -14.597 -26.883 1.00 0.00 H new ATOM 0 HB3 LEU B 2 33.669 -14.343 -25.150 1.00 0.00 H new ATOM 0 HG LEU B 2 32.429 -16.649 -26.675 1.00 0.00 H new ATOM 0 HD11 LEU B 2 34.076 -18.003 -25.441 1.00 0.00 H new ATOM 0 HD12 LEU B 2 34.863 -16.786 -26.474 1.00 0.00 H new ATOM 0 HD13 LEU B 2 34.746 -16.521 -24.718 1.00 0.00 H new ATOM 0 HD21 LEU B 2 31.859 -17.560 -24.456 1.00 0.00 H new ATOM 0 HD22 LEU B 2 32.441 -16.060 -23.696 1.00 0.00 H new ATOM 0 HD23 LEU B 2 31.024 -16.020 -24.772 1.00 0.00 H new ATOM 1025 N MET B 3 30.256 -13.646 -24.345 1.00 0.00 N ATOM 1026 CA MET B 3 29.761 -13.131 -23.074 1.00 0.00 C ATOM 1027 C MET B 3 30.720 -13.472 -21.938 1.00 0.00 C ATOM 1028 O MET B 3 30.909 -14.642 -21.603 1.00 0.00 O ATOM 1029 CB MET B 3 28.373 -13.701 -22.773 1.00 0.00 C ATOM 1030 CG MET B 3 27.433 -12.700 -22.121 1.00 0.00 C ATOM 1031 SD MET B 3 26.096 -13.495 -21.209 1.00 0.00 S ATOM 1032 CE MET B 3 26.193 -12.630 -19.644 1.00 0.00 C ATOM 0 H MET B 3 29.621 -14.291 -24.815 1.00 0.00 H new ATOM 0 HA MET B 3 29.691 -12.046 -23.154 1.00 0.00 H new ATOM 0 HB2 MET B 3 27.926 -14.055 -23.702 1.00 0.00 H new ATOM 0 HB3 MET B 3 28.479 -14.567 -22.119 1.00 0.00 H new ATOM 0 HG2 MET B 3 28.001 -12.062 -21.443 1.00 0.00 H new ATOM 0 HG3 MET B 3 27.009 -12.052 -22.888 1.00 0.00 H new ATOM 0 HE1 MET B 3 26.443 -13.337 -18.853 1.00 0.00 H new ATOM 0 HE2 MET B 3 26.964 -11.861 -19.700 1.00 0.00 H new ATOM 0 HE3 MET B 3 25.232 -12.165 -19.425 1.00 0.00 H new ATOM 1042 N ILE B 4 31.323 -12.444 -21.350 1.00 0.00 N ATOM 1043 CA ILE B 4 32.262 -12.636 -20.252 1.00 0.00 C ATOM 1044 C ILE B 4 31.540 -13.065 -18.980 1.00 0.00 C ATOM 1045 O ILE B 4 31.931 -14.032 -18.325 1.00 0.00 O ATOM 1046 CB ILE B 4 33.064 -11.353 -19.966 1.00 0.00 C ATOM 1047 CG1 ILE B 4 34.005 -11.043 -21.132 1.00 0.00 C ATOM 1048 CG2 ILE B 4 33.847 -11.496 -18.669 1.00 0.00 C ATOM 1049 CD1 ILE B 4 34.892 -12.206 -21.518 1.00 0.00 C ATOM 0 H ILE B 4 31.178 -11.470 -21.616 1.00 0.00 H new ATOM 0 HA ILE B 4 32.950 -13.424 -20.560 1.00 0.00 H new ATOM 0 HB ILE B 4 32.366 -10.523 -19.857 1.00 0.00 H new ATOM 0 HG12 ILE B 4 33.413 -10.746 -21.997 1.00 0.00 H new ATOM 0 HG13 ILE B 4 34.631 -10.191 -20.866 1.00 0.00 H new ATOM 0 HG21 ILE B 4 34.409 -10.581 -18.480 1.00 0.00 H new ATOM 0 HG22 ILE B 4 33.156 -11.674 -17.845 1.00 0.00 H new ATOM 0 HG23 ILE B 4 34.538 -12.335 -18.752 1.00 0.00 H new ATOM 0 HD11 ILE B 4 35.532 -11.915 -22.351 1.00 0.00 H new ATOM 0 HD12 ILE B 4 35.511 -12.490 -20.667 1.00 0.00 H new ATOM 0 HD13 ILE B 4 34.273 -13.053 -21.815 1.00 0.00 H new ATOM 1061 N THR B 5 30.480 -12.340 -18.634 1.00 0.00 N ATOM 1062 CA THR B 5 29.702 -12.646 -17.441 1.00 0.00 C ATOM 1063 C THR B 5 28.488 -11.730 -17.327 1.00 0.00 C ATOM 1064 O THR B 5 28.290 -10.840 -18.154 1.00 0.00 O ATOM 1065 CB THR B 5 30.554 -12.511 -16.164 1.00 0.00 C ATOM 1066 OG1 THR B 5 29.848 -13.057 -15.044 1.00 0.00 O ATOM 1067 CG2 THR B 5 30.896 -11.054 -15.893 1.00 0.00 C ATOM 0 H THR B 5 30.141 -11.537 -19.164 1.00 0.00 H new ATOM 0 HA THR B 5 29.368 -13.679 -17.538 1.00 0.00 H new ATOM 0 HB THR B 5 31.482 -13.064 -16.313 1.00 0.00 H new ATOM 0 HG1 THR B 5 30.397 -12.969 -14.237 1.00 0.00 H new ATOM 0 HG21 THR B 5 31.498 -10.984 -14.987 1.00 0.00 H new ATOM 0 HG22 THR B 5 31.459 -10.650 -16.734 1.00 0.00 H new ATOM 0 HG23 THR B 5 29.977 -10.483 -15.763 1.00 0.00 H new ATOM 1075 N SER B 6 27.678 -11.955 -16.297 1.00 0.00 N ATOM 1076 CA SER B 6 26.481 -11.151 -16.077 1.00 0.00 C ATOM 1077 C SER B 6 26.449 -10.603 -14.654 1.00 0.00 C ATOM 1078 O SER B 6 26.537 -11.357 -13.684 1.00 0.00 O ATOM 1079 CB SER B 6 25.226 -11.984 -16.344 1.00 0.00 C ATOM 1080 OG SER B 6 24.839 -12.707 -15.188 1.00 0.00 O ATOM 0 H SER B 6 27.829 -12.687 -15.602 1.00 0.00 H new ATOM 0 HA SER B 6 26.505 -10.310 -16.771 1.00 0.00 H new ATOM 0 HB2 SER B 6 24.412 -11.331 -16.658 1.00 0.00 H new ATOM 0 HB3 SER B 6 25.413 -12.677 -17.164 1.00 0.00 H new ATOM 0 HG SER B 6 25.525 -12.607 -14.495 1.00 0.00 H new ATOM 1086 N PHE B 7 26.321 -9.286 -14.536 1.00 0.00 N ATOM 1087 CA PHE B 7 26.277 -8.635 -13.232 1.00 0.00 C ATOM 1088 C PHE B 7 24.917 -7.987 -12.992 1.00 0.00 C ATOM 1089 O PHE B 7 24.158 -7.747 -13.931 1.00 0.00 O ATOM 1090 CB PHE B 7 27.382 -7.582 -13.127 1.00 0.00 C ATOM 1091 CG PHE B 7 28.766 -8.165 -13.110 1.00 0.00 C ATOM 1092 CD1 PHE B 7 29.074 -9.228 -12.277 1.00 0.00 C ATOM 1093 CD2 PHE B 7 29.760 -7.649 -13.927 1.00 0.00 C ATOM 1094 CE1 PHE B 7 30.347 -9.766 -12.259 1.00 0.00 C ATOM 1095 CE2 PHE B 7 31.034 -8.183 -13.914 1.00 0.00 C ATOM 1096 CZ PHE B 7 31.328 -9.243 -13.080 1.00 0.00 C ATOM 0 H PHE B 7 26.246 -8.648 -15.328 1.00 0.00 H new ATOM 0 HA PHE B 7 26.436 -9.396 -12.468 1.00 0.00 H new ATOM 0 HB2 PHE B 7 27.297 -6.893 -13.967 1.00 0.00 H new ATOM 0 HB3 PHE B 7 27.231 -6.998 -12.219 1.00 0.00 H new ATOM 0 HD1 PHE B 7 28.311 -9.641 -11.634 1.00 0.00 H new ATOM 0 HD2 PHE B 7 29.536 -6.820 -14.581 1.00 0.00 H new ATOM 0 HE1 PHE B 7 30.575 -10.594 -11.604 1.00 0.00 H new ATOM 0 HE2 PHE B 7 31.799 -7.772 -14.556 1.00 0.00 H new ATOM 0 HZ PHE B 7 32.323 -9.663 -13.069 1.00 0.00 H new ATOM 1106 N ALA B 8 24.616 -7.706 -11.729 1.00 0.00 N ATOM 1107 CA ALA B 8 23.349 -7.085 -11.365 1.00 0.00 C ATOM 1108 C ALA B 8 23.574 -5.769 -10.627 1.00 0.00 C ATOM 1109 O ALA B 8 23.041 -5.558 -9.539 1.00 0.00 O ATOM 1110 CB ALA B 8 22.521 -8.035 -10.512 1.00 0.00 C ATOM 0 H ALA B 8 25.233 -7.899 -10.940 1.00 0.00 H new ATOM 0 HA ALA B 8 22.803 -6.868 -12.283 1.00 0.00 H new ATOM 0 HB1 ALA B 8 21.577 -7.558 -10.247 1.00 0.00 H new ATOM 0 HB2 ALA B 8 22.321 -8.948 -11.073 1.00 0.00 H new ATOM 0 HB3 ALA B 8 23.070 -8.281 -9.603 1.00 0.00 H new ATOM 1116 N ASN B 9 24.368 -4.888 -11.228 1.00 0.00 N ATOM 1117 CA ASN B 9 24.664 -3.593 -10.627 1.00 0.00 C ATOM 1118 C ASN B 9 25.550 -2.757 -11.545 1.00 0.00 C ATOM 1119 O ASN B 9 26.463 -3.264 -12.198 1.00 0.00 O ATOM 1120 CB ASN B 9 25.350 -3.781 -9.272 1.00 0.00 C ATOM 1121 CG ASN B 9 24.544 -3.192 -8.130 1.00 0.00 C ATOM 1122 OD1 ASN B 9 23.357 -3.480 -7.980 1.00 0.00 O ATOM 1123 ND2 ASN B 9 25.189 -2.362 -7.317 1.00 0.00 N ATOM 0 H ASN B 9 24.817 -5.047 -12.130 1.00 0.00 H new ATOM 0 HA ASN B 9 23.722 -3.065 -10.480 1.00 0.00 H new ATOM 0 HB2 ASN B 9 25.507 -4.844 -9.092 1.00 0.00 H new ATOM 0 HB3 ASN B 9 26.334 -3.313 -9.298 1.00 0.00 H new ATOM 0 HD21 ASN B 9 24.699 -1.935 -6.531 1.00 0.00 H new ATOM 0 HD22 ASN B 9 26.174 -2.152 -7.479 1.00 0.00 H new ATOM 1130 N PRO B 10 25.277 -1.445 -11.597 1.00 0.00 N ATOM 1131 CA PRO B 10 26.039 -0.510 -12.432 1.00 0.00 C ATOM 1132 C PRO B 10 27.457 -0.294 -11.914 1.00 0.00 C ATOM 1133 O PRO B 10 28.422 -0.366 -12.674 1.00 0.00 O ATOM 1134 CB PRO B 10 25.232 0.787 -12.338 1.00 0.00 C ATOM 1135 CG PRO B 10 24.504 0.688 -11.042 1.00 0.00 C ATOM 1136 CD PRO B 10 24.204 -0.772 -10.846 1.00 0.00 C ATOM 0 HA PRO B 10 26.162 -0.879 -13.450 1.00 0.00 H new ATOM 0 HB2 PRO B 10 25.883 1.661 -12.360 1.00 0.00 H new ATOM 0 HB3 PRO B 10 24.540 0.884 -13.174 1.00 0.00 H new ATOM 0 HG2 PRO B 10 25.110 1.075 -10.223 1.00 0.00 H new ATOM 0 HG3 PRO B 10 23.586 1.275 -11.064 1.00 0.00 H new ATOM 0 HD2 PRO B 10 24.218 -1.047 -9.791 1.00 0.00 H new ATOM 0 HD3 PRO B 10 23.219 -1.035 -11.231 1.00 0.00 H new ATOM 1144 N ARG B 11 27.574 -0.029 -10.617 1.00 0.00 N ATOM 1145 CA ARG B 11 28.874 0.198 -9.998 1.00 0.00 C ATOM 1146 C ARG B 11 29.840 -0.936 -10.330 1.00 0.00 C ATOM 1147 O ARG B 11 30.986 -0.698 -10.711 1.00 0.00 O ATOM 1148 CB ARG B 11 28.726 0.328 -8.481 1.00 0.00 C ATOM 1149 CG ARG B 11 27.685 1.350 -8.057 1.00 0.00 C ATOM 1150 CD ARG B 11 27.930 1.839 -6.638 1.00 0.00 C ATOM 1151 NE ARG B 11 26.832 2.667 -6.146 1.00 0.00 N ATOM 1152 CZ ARG B 11 26.579 2.862 -4.857 1.00 0.00 C ATOM 1153 NH1 ARG B 11 27.341 2.292 -3.934 1.00 0.00 N ATOM 1154 NH2 ARG B 11 25.561 3.630 -4.488 1.00 0.00 N ATOM 0 H ARG B 11 26.784 0.034 -9.975 1.00 0.00 H new ATOM 0 HA ARG B 11 29.280 1.127 -10.397 1.00 0.00 H new ATOM 0 HB2 ARG B 11 28.459 -0.644 -8.066 1.00 0.00 H new ATOM 0 HB3 ARG B 11 29.690 0.604 -8.053 1.00 0.00 H new ATOM 0 HG2 ARG B 11 27.704 2.197 -8.743 1.00 0.00 H new ATOM 0 HG3 ARG B 11 26.691 0.908 -8.124 1.00 0.00 H new ATOM 0 HD2 ARG B 11 28.062 0.982 -5.977 1.00 0.00 H new ATOM 0 HD3 ARG B 11 28.857 2.411 -6.607 1.00 0.00 H new ATOM 0 HE ARG B 11 26.226 3.120 -6.830 1.00 0.00 H new ATOM 0 HH11 ARG B 11 28.125 1.702 -4.213 1.00 0.00 H new ATOM 0 HH12 ARG B 11 27.144 2.444 -2.945 1.00 0.00 H new ATOM 0 HH21 ARG B 11 24.972 4.071 -5.195 1.00 0.00 H new ATOM 0 HH22 ARG B 11 25.367 3.779 -3.498 1.00 0.00 H new ATOM 1168 N VAL B 12 29.369 -2.170 -10.183 1.00 0.00 N ATOM 1169 CA VAL B 12 30.189 -3.341 -10.467 1.00 0.00 C ATOM 1170 C VAL B 12 30.496 -3.449 -11.957 1.00 0.00 C ATOM 1171 O VAL B 12 31.658 -3.505 -12.359 1.00 0.00 O ATOM 1172 CB VAL B 12 29.499 -4.637 -10.002 1.00 0.00 C ATOM 1173 CG1 VAL B 12 30.311 -5.854 -10.419 1.00 0.00 C ATOM 1174 CG2 VAL B 12 29.289 -4.617 -8.495 1.00 0.00 C ATOM 0 H VAL B 12 28.423 -2.385 -9.869 1.00 0.00 H new ATOM 0 HA VAL B 12 31.120 -3.216 -9.915 1.00 0.00 H new ATOM 0 HB VAL B 12 28.522 -4.700 -10.482 1.00 0.00 H new ATOM 0 HG11 VAL B 12 29.808 -6.760 -10.082 1.00 0.00 H new ATOM 0 HG12 VAL B 12 30.405 -5.874 -11.505 1.00 0.00 H new ATOM 0 HG13 VAL B 12 31.303 -5.801 -9.970 1.00 0.00 H new ATOM 0 HG21 VAL B 12 28.800 -5.540 -8.183 1.00 0.00 H new ATOM 0 HG22 VAL B 12 30.253 -4.530 -7.994 1.00 0.00 H new ATOM 0 HG23 VAL B 12 28.663 -3.766 -8.226 1.00 0.00 H new ATOM 1184 N ALA B 13 29.446 -3.476 -12.771 1.00 0.00 N ATOM 1185 CA ALA B 13 29.603 -3.574 -14.217 1.00 0.00 C ATOM 1186 C ALA B 13 30.614 -2.555 -14.730 1.00 0.00 C ATOM 1187 O ALA B 13 31.619 -2.918 -15.340 1.00 0.00 O ATOM 1188 CB ALA B 13 28.261 -3.383 -14.908 1.00 0.00 C ATOM 0 H ALA B 13 28.478 -3.431 -12.454 1.00 0.00 H new ATOM 0 HA ALA B 13 29.980 -4.570 -14.450 1.00 0.00 H new ATOM 0 HB1 ALA B 13 28.393 -3.459 -15.987 1.00 0.00 H new ATOM 0 HB2 ALA B 13 27.566 -4.153 -14.573 1.00 0.00 H new ATOM 0 HB3 ALA B 13 27.861 -2.400 -14.660 1.00 0.00 H new ATOM 1194 N GLN B 14 30.341 -1.279 -14.478 1.00 0.00 N ATOM 1195 CA GLN B 14 31.227 -0.207 -14.917 1.00 0.00 C ATOM 1196 C GLN B 14 32.635 -0.406 -14.366 1.00 0.00 C ATOM 1197 O GLN B 14 33.615 -0.367 -15.110 1.00 0.00 O ATOM 1198 CB GLN B 14 30.680 1.150 -14.472 1.00 0.00 C ATOM 1199 CG GLN B 14 31.649 2.300 -14.694 1.00 0.00 C ATOM 1200 CD GLN B 14 32.035 2.464 -16.151 1.00 0.00 C ATOM 1201 OE1 GLN B 14 31.256 2.147 -17.051 1.00 0.00 O ATOM 1202 NE2 GLN B 14 33.241 2.963 -16.392 1.00 0.00 N ATOM 0 H GLN B 14 29.514 -0.962 -13.972 1.00 0.00 H new ATOM 0 HA GLN B 14 31.275 -0.232 -16.006 1.00 0.00 H new ATOM 0 HB2 GLN B 14 29.756 1.355 -15.013 1.00 0.00 H new ATOM 0 HB3 GLN B 14 30.425 1.100 -13.413 1.00 0.00 H new ATOM 0 HG2 GLN B 14 31.198 3.225 -14.335 1.00 0.00 H new ATOM 0 HG3 GLN B 14 32.548 2.133 -14.100 1.00 0.00 H new ATOM 0 HE21 GLN B 14 33.854 3.212 -15.616 1.00 0.00 H new ATOM 0 HE22 GLN B 14 33.555 3.097 -17.353 1.00 0.00 H new ATOM 1211 N ALA B 15 32.729 -0.619 -13.057 1.00 0.00 N ATOM 1212 CA ALA B 15 34.017 -0.825 -12.407 1.00 0.00 C ATOM 1213 C ALA B 15 34.818 -1.916 -13.110 1.00 0.00 C ATOM 1214 O ALA B 15 36.008 -1.752 -13.377 1.00 0.00 O ATOM 1215 CB ALA B 15 33.818 -1.176 -10.940 1.00 0.00 C ATOM 0 H ALA B 15 31.928 -0.653 -12.426 1.00 0.00 H new ATOM 0 HA ALA B 15 34.582 0.105 -12.473 1.00 0.00 H new ATOM 0 HB1 ALA B 15 34.788 -1.327 -10.467 1.00 0.00 H new ATOM 0 HB2 ALA B 15 33.293 -0.363 -10.439 1.00 0.00 H new ATOM 0 HB3 ALA B 15 33.230 -2.090 -10.861 1.00 0.00 H new ATOM 1221 N PHE B 16 34.158 -3.031 -13.405 1.00 0.00 N ATOM 1222 CA PHE B 16 34.809 -4.150 -14.076 1.00 0.00 C ATOM 1223 C PHE B 16 35.380 -3.720 -15.424 1.00 0.00 C ATOM 1224 O PHE B 16 36.589 -3.779 -15.647 1.00 0.00 O ATOM 1225 CB PHE B 16 33.820 -5.301 -14.272 1.00 0.00 C ATOM 1226 CG PHE B 16 33.920 -6.365 -13.217 1.00 0.00 C ATOM 1227 CD1 PHE B 16 34.913 -7.329 -13.279 1.00 0.00 C ATOM 1228 CD2 PHE B 16 33.021 -6.401 -12.163 1.00 0.00 C ATOM 1229 CE1 PHE B 16 35.009 -8.309 -12.309 1.00 0.00 C ATOM 1230 CE2 PHE B 16 33.112 -7.379 -11.190 1.00 0.00 C ATOM 1231 CZ PHE B 16 34.107 -8.335 -11.264 1.00 0.00 C ATOM 0 H PHE B 16 33.173 -3.184 -13.190 1.00 0.00 H new ATOM 0 HA PHE B 16 35.631 -4.490 -13.445 1.00 0.00 H new ATOM 0 HB2 PHE B 16 32.806 -4.901 -14.278 1.00 0.00 H new ATOM 0 HB3 PHE B 16 33.990 -5.753 -15.249 1.00 0.00 H new ATOM 0 HD1 PHE B 16 35.620 -7.315 -14.095 1.00 0.00 H new ATOM 0 HD2 PHE B 16 32.241 -5.657 -12.101 1.00 0.00 H new ATOM 0 HE1 PHE B 16 35.789 -9.054 -12.368 1.00 0.00 H new ATOM 0 HE2 PHE B 16 32.406 -7.396 -10.373 1.00 0.00 H new ATOM 0 HZ PHE B 16 34.179 -9.101 -10.506 1.00 0.00 H new ATOM 1241 N VAL B 17 34.500 -3.286 -16.321 1.00 0.00 N ATOM 1242 CA VAL B 17 34.914 -2.844 -17.647 1.00 0.00 C ATOM 1243 C VAL B 17 35.918 -1.700 -17.557 1.00 0.00 C ATOM 1244 O VAL B 17 36.689 -1.463 -18.486 1.00 0.00 O ATOM 1245 CB VAL B 17 33.708 -2.389 -18.490 1.00 0.00 C ATOM 1246 CG1 VAL B 17 32.748 -3.547 -18.717 1.00 0.00 C ATOM 1247 CG2 VAL B 17 32.999 -1.222 -17.818 1.00 0.00 C ATOM 0 H VAL B 17 33.495 -3.231 -16.153 1.00 0.00 H new ATOM 0 HA VAL B 17 35.385 -3.699 -18.132 1.00 0.00 H new ATOM 0 HB VAL B 17 34.071 -2.054 -19.461 1.00 0.00 H new ATOM 0 HG11 VAL B 17 31.902 -3.207 -19.314 1.00 0.00 H new ATOM 0 HG12 VAL B 17 33.264 -4.350 -19.243 1.00 0.00 H new ATOM 0 HG13 VAL B 17 32.389 -3.915 -17.756 1.00 0.00 H new ATOM 0 HG21 VAL B 17 32.149 -0.913 -18.427 1.00 0.00 H new ATOM 0 HG22 VAL B 17 32.647 -1.529 -16.833 1.00 0.00 H new ATOM 0 HG23 VAL B 17 33.692 -0.387 -17.712 1.00 0.00 H new ATOM 1257 N ASP B 18 35.902 -0.994 -16.431 1.00 0.00 N ATOM 1258 CA ASP B 18 36.812 0.125 -16.218 1.00 0.00 C ATOM 1259 C ASP B 18 38.245 -0.366 -16.040 1.00 0.00 C ATOM 1260 O ASP B 18 39.135 -0.007 -16.811 1.00 0.00 O ATOM 1261 CB ASP B 18 36.381 0.934 -14.994 1.00 0.00 C ATOM 1262 CG ASP B 18 37.137 2.243 -14.869 1.00 0.00 C ATOM 1263 OD1 ASP B 18 38.239 2.237 -14.282 1.00 0.00 O ATOM 1264 OD2 ASP B 18 36.626 3.271 -15.359 1.00 0.00 O ATOM 0 H ASP B 18 35.269 -1.177 -15.652 1.00 0.00 H new ATOM 0 HA ASP B 18 36.774 0.765 -17.099 1.00 0.00 H new ATOM 0 HB2 ASP B 18 35.312 1.140 -15.056 1.00 0.00 H new ATOM 0 HB3 ASP B 18 36.540 0.339 -14.095 1.00 0.00 H new ATOM 1269 N TYR B 19 38.460 -1.187 -15.018 1.00 0.00 N ATOM 1270 CA TYR B 19 39.786 -1.725 -14.737 1.00 0.00 C ATOM 1271 C TYR B 19 40.265 -2.619 -15.876 1.00 0.00 C ATOM 1272 O TYR B 19 41.464 -2.838 -16.047 1.00 0.00 O ATOM 1273 CB TYR B 19 39.772 -2.513 -13.426 1.00 0.00 C ATOM 1274 CG TYR B 19 39.650 -4.008 -13.620 1.00 0.00 C ATOM 1275 CD1 TYR B 19 40.762 -4.780 -13.935 1.00 0.00 C ATOM 1276 CD2 TYR B 19 38.424 -4.648 -13.490 1.00 0.00 C ATOM 1277 CE1 TYR B 19 40.656 -6.146 -14.114 1.00 0.00 C ATOM 1278 CE2 TYR B 19 38.309 -6.013 -13.665 1.00 0.00 C ATOM 1279 CZ TYR B 19 39.427 -6.758 -13.977 1.00 0.00 C ATOM 1280 OH TYR B 19 39.316 -8.118 -14.154 1.00 0.00 O ATOM 0 H TYR B 19 37.734 -1.494 -14.371 1.00 0.00 H new ATOM 0 HA TYR B 19 40.477 -0.887 -14.643 1.00 0.00 H new ATOM 0 HB2 TYR B 19 40.687 -2.300 -12.874 1.00 0.00 H new ATOM 0 HB3 TYR B 19 38.941 -2.166 -12.812 1.00 0.00 H new ATOM 0 HD1 TYR B 19 41.726 -4.304 -14.042 1.00 0.00 H new ATOM 0 HD2 TYR B 19 37.546 -4.068 -13.248 1.00 0.00 H new ATOM 0 HE1 TYR B 19 41.530 -6.731 -14.360 1.00 0.00 H new ATOM 0 HE2 TYR B 19 37.348 -6.495 -13.558 1.00 0.00 H new ATOM 0 HH TYR B 19 38.384 -8.390 -14.021 1.00 0.00 H new ATOM 1290 N MET B 20 39.318 -3.133 -16.654 1.00 0.00 N ATOM 1291 CA MET B 20 39.642 -4.002 -17.779 1.00 0.00 C ATOM 1292 C MET B 20 40.079 -3.184 -18.990 1.00 0.00 C ATOM 1293 O MET B 20 41.007 -3.562 -19.704 1.00 0.00 O ATOM 1294 CB MET B 20 38.436 -4.871 -18.144 1.00 0.00 C ATOM 1295 CG MET B 20 38.045 -5.856 -17.055 1.00 0.00 C ATOM 1296 SD MET B 20 38.469 -7.558 -17.473 1.00 0.00 S ATOM 1297 CE MET B 20 40.244 -7.533 -17.232 1.00 0.00 C ATOM 0 H MET B 20 38.320 -2.963 -16.526 1.00 0.00 H new ATOM 0 HA MET B 20 40.469 -4.647 -17.481 1.00 0.00 H new ATOM 0 HB2 MET B 20 37.585 -4.225 -18.361 1.00 0.00 H new ATOM 0 HB3 MET B 20 38.659 -5.422 -19.058 1.00 0.00 H new ATOM 0 HG2 MET B 20 38.542 -5.580 -16.125 1.00 0.00 H new ATOM 0 HG3 MET B 20 36.972 -5.786 -16.876 1.00 0.00 H new ATOM 0 HE1 MET B 20 40.743 -7.645 -18.194 1.00 0.00 H new ATOM 0 HE2 MET B 20 40.536 -6.585 -16.780 1.00 0.00 H new ATOM 0 HE3 MET B 20 40.534 -8.353 -16.575 1.00 0.00 H new ATOM 1307 N ALA B 21 39.403 -2.062 -19.216 1.00 0.00 N ATOM 1308 CA ALA B 21 39.723 -1.191 -20.340 1.00 0.00 C ATOM 1309 C ALA B 21 41.091 -0.541 -20.158 1.00 0.00 C ATOM 1310 O ALA B 21 41.871 -0.435 -21.105 1.00 0.00 O ATOM 1311 CB ALA B 21 38.649 -0.126 -20.505 1.00 0.00 C ATOM 0 H ALA B 21 38.631 -1.735 -18.636 1.00 0.00 H new ATOM 0 HA ALA B 21 39.756 -1.801 -21.243 1.00 0.00 H new ATOM 0 HB1 ALA B 21 38.901 0.517 -21.348 1.00 0.00 H new ATOM 0 HB2 ALA B 21 37.687 -0.605 -20.689 1.00 0.00 H new ATOM 0 HB3 ALA B 21 38.588 0.473 -19.597 1.00 0.00 H new ATOM 1317 N THR B 22 41.377 -0.106 -18.935 1.00 0.00 N ATOM 1318 CA THR B 22 42.649 0.535 -18.629 1.00 0.00 C ATOM 1319 C THR B 22 43.785 -0.481 -18.607 1.00 0.00 C ATOM 1320 O THR B 22 44.959 -0.112 -18.599 1.00 0.00 O ATOM 1321 CB THR B 22 42.600 1.264 -17.273 1.00 0.00 C ATOM 1322 OG1 THR B 22 43.791 2.038 -17.090 1.00 0.00 O ATOM 1323 CG2 THR B 22 42.453 0.271 -16.130 1.00 0.00 C ATOM 0 H THR B 22 40.744 -0.186 -18.140 1.00 0.00 H new ATOM 0 HA THR B 22 42.833 1.264 -19.418 1.00 0.00 H new ATOM 0 HB THR B 22 41.734 1.926 -17.272 1.00 0.00 H new ATOM 0 HG1 THR B 22 44.554 1.561 -17.479 1.00 0.00 H new ATOM 0 HG21 THR B 22 42.421 0.809 -15.183 1.00 0.00 H new ATOM 0 HG22 THR B 22 41.531 -0.296 -16.257 1.00 0.00 H new ATOM 0 HG23 THR B 22 43.302 -0.412 -16.130 1.00 0.00 H new ATOM 1331 N GLN B 23 43.428 -1.761 -18.597 1.00 0.00 N ATOM 1332 CA GLN B 23 44.419 -2.830 -18.575 1.00 0.00 C ATOM 1333 C GLN B 23 44.758 -3.288 -19.990 1.00 0.00 C ATOM 1334 O GLN B 23 45.627 -4.136 -20.187 1.00 0.00 O ATOM 1335 CB GLN B 23 43.906 -4.014 -17.753 1.00 0.00 C ATOM 1336 CG GLN B 23 44.163 -3.875 -16.261 1.00 0.00 C ATOM 1337 CD GLN B 23 45.627 -4.032 -15.904 1.00 0.00 C ATOM 1338 OE1 GLN B 23 46.092 -5.134 -15.609 1.00 0.00 O ATOM 1339 NE2 GLN B 23 46.365 -2.928 -15.928 1.00 0.00 N ATOM 0 H GLN B 23 42.460 -2.083 -18.604 1.00 0.00 H new ATOM 0 HA GLN B 23 45.325 -2.440 -18.112 1.00 0.00 H new ATOM 0 HB2 GLN B 23 42.835 -4.125 -17.920 1.00 0.00 H new ATOM 0 HB3 GLN B 23 44.381 -4.927 -18.112 1.00 0.00 H new ATOM 0 HG2 GLN B 23 43.814 -2.898 -15.926 1.00 0.00 H new ATOM 0 HG3 GLN B 23 43.580 -4.623 -15.725 1.00 0.00 H new ATOM 0 HE21 GLN B 23 45.939 -2.035 -16.178 1.00 0.00 H new ATOM 0 HE22 GLN B 23 47.357 -2.973 -15.696 1.00 0.00 H new ATOM 1348 N GLY B 24 44.064 -2.720 -20.972 1.00 0.00 N ATOM 1349 CA GLY B 24 44.306 -3.083 -22.356 1.00 0.00 C ATOM 1350 C GLY B 24 43.253 -4.028 -22.900 1.00 0.00 C ATOM 1351 O GLY B 24 43.421 -4.605 -23.975 1.00 0.00 O ATOM 0 H GLY B 24 43.339 -2.016 -20.834 1.00 0.00 H new ATOM 0 HA2 GLY B 24 44.330 -2.180 -22.966 1.00 0.00 H new ATOM 0 HA3 GLY B 24 45.287 -3.550 -22.440 1.00 0.00 H new ATOM 1355 N VAL B 25 42.163 -4.189 -22.156 1.00 0.00 N ATOM 1356 CA VAL B 25 41.078 -5.072 -22.569 1.00 0.00 C ATOM 1357 C VAL B 25 39.746 -4.331 -22.591 1.00 0.00 C ATOM 1358 O VAL B 25 39.227 -3.936 -21.546 1.00 0.00 O ATOM 1359 CB VAL B 25 40.961 -6.291 -21.636 1.00 0.00 C ATOM 1360 CG1 VAL B 25 40.019 -7.328 -22.229 1.00 0.00 C ATOM 1361 CG2 VAL B 25 42.332 -6.894 -21.372 1.00 0.00 C ATOM 0 H VAL B 25 42.008 -3.719 -21.264 1.00 0.00 H new ATOM 0 HA VAL B 25 41.315 -5.417 -23.576 1.00 0.00 H new ATOM 0 HB VAL B 25 40.546 -5.959 -20.684 1.00 0.00 H new ATOM 0 HG11 VAL B 25 39.948 -8.183 -21.556 1.00 0.00 H new ATOM 0 HG12 VAL B 25 39.031 -6.888 -22.362 1.00 0.00 H new ATOM 0 HG13 VAL B 25 40.402 -7.657 -23.195 1.00 0.00 H new ATOM 0 HG21 VAL B 25 42.230 -7.754 -20.711 1.00 0.00 H new ATOM 0 HG22 VAL B 25 42.777 -7.212 -22.315 1.00 0.00 H new ATOM 0 HG23 VAL B 25 42.973 -6.149 -20.901 1.00 0.00 H new ATOM 1371 N ILE B 26 39.197 -4.147 -23.787 1.00 0.00 N ATOM 1372 CA ILE B 26 37.923 -3.456 -23.944 1.00 0.00 C ATOM 1373 C ILE B 26 36.752 -4.387 -23.649 1.00 0.00 C ATOM 1374 O ILE B 26 36.712 -5.522 -24.125 1.00 0.00 O ATOM 1375 CB ILE B 26 37.765 -2.885 -25.366 1.00 0.00 C ATOM 1376 CG1 ILE B 26 38.902 -1.909 -25.677 1.00 0.00 C ATOM 1377 CG2 ILE B 26 36.415 -2.198 -25.513 1.00 0.00 C ATOM 1378 CD1 ILE B 26 38.970 -0.737 -24.723 1.00 0.00 C ATOM 0 H ILE B 26 39.614 -4.467 -24.661 1.00 0.00 H new ATOM 0 HA ILE B 26 37.919 -2.634 -23.228 1.00 0.00 H new ATOM 0 HB ILE B 26 37.813 -3.708 -26.080 1.00 0.00 H new ATOM 0 HG12 ILE B 26 39.850 -2.447 -25.647 1.00 0.00 H new ATOM 0 HG13 ILE B 26 38.780 -1.534 -26.693 1.00 0.00 H new ATOM 0 HG21 ILE B 26 36.318 -1.799 -26.523 1.00 0.00 H new ATOM 0 HG22 ILE B 26 35.618 -2.919 -25.329 1.00 0.00 H new ATOM 0 HG23 ILE B 26 36.341 -1.383 -24.793 1.00 0.00 H new ATOM 0 HD11 ILE B 26 39.799 -0.087 -25.004 1.00 0.00 H new ATOM 0 HD12 ILE B 26 38.037 -0.176 -24.769 1.00 0.00 H new ATOM 0 HD13 ILE B 26 39.123 -1.103 -23.708 1.00 0.00 H new ATOM 1390 N LEU B 27 35.800 -3.899 -22.861 1.00 0.00 N ATOM 1391 CA LEU B 27 34.625 -4.686 -22.503 1.00 0.00 C ATOM 1392 C LEU B 27 33.343 -3.905 -22.774 1.00 0.00 C ATOM 1393 O LEU B 27 33.363 -2.680 -22.896 1.00 0.00 O ATOM 1394 CB LEU B 27 34.688 -5.091 -21.029 1.00 0.00 C ATOM 1395 CG LEU B 27 35.650 -6.229 -20.686 1.00 0.00 C ATOM 1396 CD1 LEU B 27 35.575 -6.563 -19.204 1.00 0.00 C ATOM 1397 CD2 LEU B 27 35.342 -7.459 -21.528 1.00 0.00 C ATOM 0 H LEU B 27 35.819 -2.962 -22.458 1.00 0.00 H new ATOM 0 HA LEU B 27 34.618 -5.584 -23.120 1.00 0.00 H new ATOM 0 HB2 LEU B 27 34.970 -4.215 -20.444 1.00 0.00 H new ATOM 0 HB3 LEU B 27 33.687 -5.380 -20.709 1.00 0.00 H new ATOM 0 HG LEU B 27 36.665 -5.902 -20.913 1.00 0.00 H new ATOM 0 HD11 LEU B 27 36.266 -7.375 -18.979 1.00 0.00 H new ATOM 0 HD12 LEU B 27 35.845 -5.684 -18.619 1.00 0.00 H new ATOM 0 HD13 LEU B 27 34.560 -6.870 -18.951 1.00 0.00 H new ATOM 0 HD21 LEU B 27 36.036 -8.259 -21.271 1.00 0.00 H new ATOM 0 HD22 LEU B 27 34.321 -7.787 -21.333 1.00 0.00 H new ATOM 0 HD23 LEU B 27 35.448 -7.213 -22.584 1.00 0.00 H new ATOM 1409 N THR B 28 32.227 -4.622 -22.864 1.00 0.00 N ATOM 1410 CA THR B 28 30.936 -3.997 -23.118 1.00 0.00 C ATOM 1411 C THR B 28 29.910 -4.408 -22.069 1.00 0.00 C ATOM 1412 O THR B 28 29.916 -5.544 -21.592 1.00 0.00 O ATOM 1413 CB THR B 28 30.400 -4.364 -24.515 1.00 0.00 C ATOM 1414 OG1 THR B 28 31.424 -5.011 -25.278 1.00 0.00 O ATOM 1415 CG2 THR B 28 29.918 -3.124 -25.252 1.00 0.00 C ATOM 0 H THR B 28 32.192 -5.637 -22.765 1.00 0.00 H new ATOM 0 HA THR B 28 31.091 -2.919 -23.067 1.00 0.00 H new ATOM 0 HB THR B 28 29.557 -5.044 -24.390 1.00 0.00 H new ATOM 0 HG1 THR B 28 31.613 -5.892 -24.892 1.00 0.00 H new ATOM 0 HG21 THR B 28 29.544 -3.408 -26.236 1.00 0.00 H new ATOM 0 HG22 THR B 28 29.118 -2.650 -24.683 1.00 0.00 H new ATOM 0 HG23 THR B 28 30.746 -2.424 -25.367 1.00 0.00 H new ATOM 1423 N ILE B 29 29.029 -3.479 -21.713 1.00 0.00 N ATOM 1424 CA ILE B 29 27.996 -3.746 -20.721 1.00 0.00 C ATOM 1425 C ILE B 29 26.604 -3.510 -21.299 1.00 0.00 C ATOM 1426 O ILE B 29 26.400 -2.596 -22.096 1.00 0.00 O ATOM 1427 CB ILE B 29 28.175 -2.866 -19.469 1.00 0.00 C ATOM 1428 CG1 ILE B 29 29.520 -3.160 -18.801 1.00 0.00 C ATOM 1429 CG2 ILE B 29 27.031 -3.094 -18.493 1.00 0.00 C ATOM 1430 CD1 ILE B 29 29.630 -4.568 -18.259 1.00 0.00 C ATOM 0 H ILE B 29 29.010 -2.534 -22.097 1.00 0.00 H new ATOM 0 HA ILE B 29 28.096 -4.793 -20.436 1.00 0.00 H new ATOM 0 HB ILE B 29 28.163 -1.819 -19.773 1.00 0.00 H new ATOM 0 HG12 ILE B 29 30.319 -2.994 -19.523 1.00 0.00 H new ATOM 0 HG13 ILE B 29 29.674 -2.453 -17.986 1.00 0.00 H new ATOM 0 HG21 ILE B 29 27.172 -2.465 -17.614 1.00 0.00 H new ATOM 0 HG22 ILE B 29 26.086 -2.839 -18.974 1.00 0.00 H new ATOM 0 HG23 ILE B 29 27.014 -4.141 -18.191 1.00 0.00 H new ATOM 0 HD11 ILE B 29 30.609 -4.706 -17.800 1.00 0.00 H new ATOM 0 HD12 ILE B 29 28.853 -4.732 -17.513 1.00 0.00 H new ATOM 0 HD13 ILE B 29 29.508 -5.282 -19.073 1.00 0.00 H new ATOM 1442 N GLN B 30 25.651 -4.341 -20.889 1.00 0.00 N ATOM 1443 CA GLN B 30 24.278 -4.221 -21.366 1.00 0.00 C ATOM 1444 C GLN B 30 23.305 -4.099 -20.198 1.00 0.00 C ATOM 1445 O GLN B 30 23.075 -5.062 -19.466 1.00 0.00 O ATOM 1446 CB GLN B 30 23.909 -5.430 -22.228 1.00 0.00 C ATOM 1447 CG GLN B 30 24.012 -5.165 -23.722 1.00 0.00 C ATOM 1448 CD GLN B 30 22.670 -5.236 -24.422 1.00 0.00 C ATOM 1449 OE1 GLN B 30 22.073 -6.307 -24.537 1.00 0.00 O ATOM 1450 NE2 GLN B 30 22.186 -4.092 -24.893 1.00 0.00 N ATOM 0 H GLN B 30 25.804 -5.103 -20.229 1.00 0.00 H new ATOM 0 HA GLN B 30 24.207 -3.317 -21.970 1.00 0.00 H new ATOM 0 HB2 GLN B 30 24.562 -6.263 -21.969 1.00 0.00 H new ATOM 0 HB3 GLN B 30 22.890 -5.738 -21.991 1.00 0.00 H new ATOM 0 HG2 GLN B 30 24.449 -4.180 -23.883 1.00 0.00 H new ATOM 0 HG3 GLN B 30 24.690 -5.892 -24.170 1.00 0.00 H new ATOM 0 HE21 GLN B 30 22.715 -3.228 -24.775 1.00 0.00 H new ATOM 0 HE22 GLN B 30 21.286 -4.078 -25.372 1.00 0.00 H new ATOM 1459 N GLN B 31 22.737 -2.909 -20.029 1.00 0.00 N ATOM 1460 CA GLN B 31 21.789 -2.662 -18.949 1.00 0.00 C ATOM 1461 C GLN B 31 20.393 -3.145 -19.328 1.00 0.00 C ATOM 1462 O GLN B 31 19.917 -2.893 -20.435 1.00 0.00 O ATOM 1463 CB GLN B 31 21.750 -1.171 -18.608 1.00 0.00 C ATOM 1464 CG GLN B 31 22.061 -0.872 -17.150 1.00 0.00 C ATOM 1465 CD GLN B 31 21.349 0.367 -16.644 1.00 0.00 C ATOM 1466 OE1 GLN B 31 21.968 1.258 -16.062 1.00 0.00 O ATOM 1467 NE2 GLN B 31 20.041 0.430 -16.864 1.00 0.00 N ATOM 0 H GLN B 31 22.917 -2.102 -20.626 1.00 0.00 H new ATOM 0 HA GLN B 31 22.121 -3.220 -18.074 1.00 0.00 H new ATOM 0 HB2 GLN B 31 22.465 -0.644 -19.239 1.00 0.00 H new ATOM 0 HB3 GLN B 31 20.762 -0.778 -18.848 1.00 0.00 H new ATOM 0 HG2 GLN B 31 21.773 -1.727 -16.538 1.00 0.00 H new ATOM 0 HG3 GLN B 31 23.137 -0.742 -17.031 1.00 0.00 H new ATOM 0 HE21 GLN B 31 19.568 -0.332 -17.351 1.00 0.00 H new ATOM 0 HE22 GLN B 31 19.509 1.240 -16.546 1.00 0.00 H new ATOM 1524 N SER B 35 10.244 -3.240 -15.017 1.00 0.00 N ATOM 1525 CA SER B 35 9.332 -2.782 -13.975 1.00 0.00 C ATOM 1526 C SER B 35 8.043 -3.599 -13.985 1.00 0.00 C ATOM 1527 O SER B 35 7.150 -3.361 -14.798 1.00 0.00 O ATOM 1528 CB SER B 35 9.010 -1.299 -14.165 1.00 0.00 C ATOM 1529 OG SER B 35 10.181 -0.556 -14.457 1.00 0.00 O ATOM 0 HA SER B 35 9.822 -2.919 -13.011 1.00 0.00 H new ATOM 0 HB2 SER B 35 8.289 -1.181 -14.974 1.00 0.00 H new ATOM 0 HB3 SER B 35 8.542 -0.907 -13.262 1.00 0.00 H new ATOM 0 HG SER B 35 10.868 -1.156 -14.816 1.00 0.00 H new ATOM 1535 N ASP B 36 7.955 -4.563 -13.075 1.00 0.00 N ATOM 1536 CA ASP B 36 6.775 -5.416 -12.977 1.00 0.00 C ATOM 1537 C ASP B 36 5.696 -4.754 -12.127 1.00 0.00 C ATOM 1538 O ASP B 36 5.945 -4.351 -10.990 1.00 0.00 O ATOM 1539 CB ASP B 36 7.150 -6.774 -12.381 1.00 0.00 C ATOM 1540 CG ASP B 36 7.043 -7.899 -13.391 1.00 0.00 C ATOM 1541 OD1 ASP B 36 7.356 -7.663 -14.577 1.00 0.00 O ATOM 1542 OD2 ASP B 36 6.647 -9.015 -12.996 1.00 0.00 O ATOM 0 H ASP B 36 8.686 -4.774 -12.395 1.00 0.00 H new ATOM 0 HA ASP B 36 6.380 -5.566 -13.982 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.169 -6.730 -11.997 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.499 -6.988 -11.533 1.00 0.00 H new ATOM 1547 N VAL B 37 4.495 -4.643 -12.686 1.00 0.00 N ATOM 1548 CA VAL B 37 3.376 -4.030 -11.979 1.00 0.00 C ATOM 1549 C VAL B 37 2.452 -5.089 -11.389 1.00 0.00 C ATOM 1550 O VAL B 37 1.870 -5.894 -12.117 1.00 0.00 O ATOM 1551 CB VAL B 37 2.560 -3.112 -12.910 1.00 0.00 C ATOM 1552 CG1 VAL B 37 1.569 -2.283 -12.107 1.00 0.00 C ATOM 1553 CG2 VAL B 37 3.486 -2.216 -13.718 1.00 0.00 C ATOM 0 H VAL B 37 4.272 -4.969 -13.626 1.00 0.00 H new ATOM 0 HA VAL B 37 3.800 -3.433 -11.172 1.00 0.00 H new ATOM 0 HB VAL B 37 1.997 -3.735 -13.605 1.00 0.00 H new ATOM 0 HG11 VAL B 37 1.002 -1.641 -12.781 1.00 0.00 H new ATOM 0 HG12 VAL B 37 0.886 -2.946 -11.577 1.00 0.00 H new ATOM 0 HG13 VAL B 37 2.109 -1.667 -11.388 1.00 0.00 H new ATOM 0 HG21 VAL B 37 2.894 -1.574 -14.370 1.00 0.00 H new ATOM 0 HG22 VAL B 37 4.077 -1.599 -13.041 1.00 0.00 H new ATOM 0 HG23 VAL B 37 4.152 -2.832 -14.323 1.00 0.00 H new ATOM 1563 N TRP B 38 2.320 -5.081 -10.068 1.00 0.00 N ATOM 1564 CA TRP B 38 1.465 -6.042 -9.380 1.00 0.00 C ATOM 1565 C TRP B 38 0.488 -5.331 -8.449 1.00 0.00 C ATOM 1566 O TRP B 38 0.844 -4.354 -7.788 1.00 0.00 O ATOM 1567 CB TRP B 38 2.315 -7.035 -8.586 1.00 0.00 C ATOM 1568 CG TRP B 38 3.667 -6.501 -8.220 1.00 0.00 C ATOM 1569 CD1 TRP B 38 4.648 -6.096 -9.080 1.00 0.00 C ATOM 1570 CD2 TRP B 38 4.187 -6.315 -6.899 1.00 0.00 C ATOM 1571 NE1 TRP B 38 5.747 -5.670 -8.373 1.00 0.00 N ATOM 1572 CE2 TRP B 38 5.488 -5.793 -7.033 1.00 0.00 C ATOM 1573 CE3 TRP B 38 3.678 -6.536 -5.616 1.00 0.00 C ATOM 1574 CZ2 TRP B 38 6.286 -5.492 -5.932 1.00 0.00 C ATOM 1575 CZ3 TRP B 38 4.471 -6.237 -4.525 1.00 0.00 C ATOM 1576 CH2 TRP B 38 5.763 -5.719 -4.688 1.00 0.00 C ATOM 0 H TRP B 38 2.794 -4.420 -9.452 1.00 0.00 H new ATOM 0 HA TRP B 38 0.892 -6.585 -10.132 1.00 0.00 H new ATOM 0 HB2 TRP B 38 1.783 -7.311 -7.676 1.00 0.00 H new ATOM 0 HB3 TRP B 38 2.439 -7.946 -9.172 1.00 0.00 H new ATOM 0 HD1 TRP B 38 4.571 -6.109 -10.157 1.00 0.00 H new ATOM 0 HE1 TRP B 38 6.614 -5.319 -8.780 1.00 0.00 H new ATOM 0 HE3 TRP B 38 2.683 -6.933 -5.480 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 7.282 -5.094 -6.056 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 4.089 -6.405 -3.529 1.00 0.00 H new ATOM 0 HH2 TRP B 38 6.357 -5.495 -3.815 1.00 0.00 H new ATOM 1587 N LEU B 39 -0.743 -5.827 -8.401 1.00 0.00 N ATOM 1588 CA LEU B 39 -1.772 -5.240 -7.550 1.00 0.00 C ATOM 1589 C LEU B 39 -2.153 -6.191 -6.420 1.00 0.00 C ATOM 1590 O LEU B 39 -2.028 -7.408 -6.552 1.00 0.00 O ATOM 1591 CB LEU B 39 -3.010 -4.892 -8.378 1.00 0.00 C ATOM 1592 CG LEU B 39 -4.257 -4.496 -7.588 1.00 0.00 C ATOM 1593 CD1 LEU B 39 -4.031 -3.182 -6.857 1.00 0.00 C ATOM 1594 CD2 LEU B 39 -5.464 -4.396 -8.510 1.00 0.00 C ATOM 0 H LEU B 39 -1.053 -6.635 -8.941 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.368 -4.328 -7.111 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -2.754 -4.072 -9.049 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -3.258 -5.750 -9.003 1.00 0.00 H new ATOM 0 HG LEU B 39 -4.455 -5.270 -6.847 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -4.930 -2.916 -6.300 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -3.194 -3.289 -6.166 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.807 -2.397 -7.580 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -6.342 -4.113 -7.930 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -5.276 -3.643 -9.275 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -5.639 -5.361 -8.986 1.00 0.00 H new ATOM 1606 N ALA B 40 -2.619 -5.627 -5.310 1.00 0.00 N ATOM 1607 CA ALA B 40 -3.022 -6.425 -4.159 1.00 0.00 C ATOM 1608 C ALA B 40 -4.540 -6.543 -4.078 1.00 0.00 C ATOM 1609 O ALA B 40 -5.069 -7.528 -3.561 1.00 0.00 O ATOM 1610 CB ALA B 40 -2.468 -5.820 -2.878 1.00 0.00 C ATOM 0 H ALA B 40 -2.727 -4.621 -5.184 1.00 0.00 H new ATOM 0 HA ALA B 40 -2.612 -7.428 -4.281 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -2.777 -6.426 -2.026 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -1.380 -5.794 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -2.850 -4.806 -2.759 1.00 0.00 H new ATOM 1616 N ASP B 41 -5.236 -5.534 -4.590 1.00 0.00 N ATOM 1617 CA ASP B 41 -6.694 -5.525 -4.575 1.00 0.00 C ATOM 1618 C ASP B 41 -7.254 -6.201 -5.823 1.00 0.00 C ATOM 1619 O ASP B 41 -7.527 -5.543 -6.827 1.00 0.00 O ATOM 1620 CB ASP B 41 -7.216 -4.091 -4.479 1.00 0.00 C ATOM 1621 CG ASP B 41 -8.672 -4.031 -4.061 1.00 0.00 C ATOM 1622 OD1 ASP B 41 -9.485 -4.784 -4.636 1.00 0.00 O ATOM 1623 OD2 ASP B 41 -8.999 -3.231 -3.160 1.00 0.00 O ATOM 0 H ASP B 41 -4.814 -4.711 -5.021 1.00 0.00 H new ATOM 0 HA ASP B 41 -7.027 -6.083 -3.700 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -6.612 -3.535 -3.762 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -7.098 -3.599 -5.444 1.00 0.00 H new ATOM 1628 N GLU B 42 -7.421 -7.518 -5.753 1.00 0.00 N ATOM 1629 CA GLU B 42 -7.946 -8.282 -6.878 1.00 0.00 C ATOM 1630 C GLU B 42 -9.219 -7.640 -7.424 1.00 0.00 C ATOM 1631 O GLU B 42 -9.393 -7.515 -8.636 1.00 0.00 O ATOM 1632 CB GLU B 42 -8.230 -9.725 -6.456 1.00 0.00 C ATOM 1633 CG GLU B 42 -7.000 -10.469 -5.966 1.00 0.00 C ATOM 1634 CD GLU B 42 -7.333 -11.538 -4.944 1.00 0.00 C ATOM 1635 OE1 GLU B 42 -7.399 -11.209 -3.741 1.00 0.00 O ATOM 1636 OE2 GLU B 42 -7.528 -12.704 -5.346 1.00 0.00 O ATOM 0 H GLU B 42 -7.200 -8.078 -4.929 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.193 -8.284 -7.666 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -8.981 -9.722 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -8.658 -10.264 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.496 -10.929 -6.816 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.301 -9.757 -5.527 1.00 0.00 H new ATOM 1643 N SER B 43 -10.106 -7.237 -6.521 1.00 0.00 N ATOM 1644 CA SER B 43 -11.365 -6.613 -6.911 1.00 0.00 C ATOM 1645 C SER B 43 -11.117 -5.406 -7.811 1.00 0.00 C ATOM 1646 O SER B 43 -11.907 -5.116 -8.709 1.00 0.00 O ATOM 1647 CB SER B 43 -12.152 -6.185 -5.671 1.00 0.00 C ATOM 1648 OG SER B 43 -11.940 -7.084 -4.596 1.00 0.00 O ATOM 0 H SER B 43 -9.976 -7.331 -5.514 1.00 0.00 H new ATOM 0 HA SER B 43 -11.948 -7.346 -7.468 1.00 0.00 H new ATOM 0 HB2 SER B 43 -11.850 -5.181 -5.374 1.00 0.00 H new ATOM 0 HB3 SER B 43 -13.215 -6.141 -5.908 1.00 0.00 H new ATOM 0 HG SER B 43 -12.453 -6.787 -3.815 1.00 0.00 H new ATOM 1654 N GLN B 44 -10.014 -4.707 -7.562 1.00 0.00 N ATOM 1655 CA GLN B 44 -9.661 -3.531 -8.349 1.00 0.00 C ATOM 1656 C GLN B 44 -8.841 -3.922 -9.574 1.00 0.00 C ATOM 1657 O GLN B 44 -8.656 -3.122 -10.490 1.00 0.00 O ATOM 1658 CB GLN B 44 -8.879 -2.534 -7.493 1.00 0.00 C ATOM 1659 CG GLN B 44 -9.437 -1.121 -7.541 1.00 0.00 C ATOM 1660 CD GLN B 44 -10.914 -1.066 -7.202 1.00 0.00 C ATOM 1661 OE1 GLN B 44 -11.767 -1.089 -8.090 1.00 0.00 O ATOM 1662 NE2 GLN B 44 -11.224 -0.993 -5.913 1.00 0.00 N ATOM 0 H GLN B 44 -9.350 -4.934 -6.822 1.00 0.00 H new ATOM 0 HA GLN B 44 -10.584 -3.061 -8.688 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -8.876 -2.880 -6.459 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -7.841 -2.517 -7.826 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -8.884 -0.492 -6.843 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -9.281 -0.706 -8.537 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -10.484 -0.976 -5.211 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -12.202 -0.953 -5.625 1.00 0.00 H new ATOM 1671 N ALA B 45 -8.351 -5.157 -9.583 1.00 0.00 N ATOM 1672 CA ALA B 45 -7.552 -5.655 -10.695 1.00 0.00 C ATOM 1673 C ALA B 45 -8.254 -5.412 -12.027 1.00 0.00 C ATOM 1674 O ALA B 45 -7.610 -5.111 -13.032 1.00 0.00 O ATOM 1675 CB ALA B 45 -7.258 -7.136 -10.514 1.00 0.00 C ATOM 0 H ALA B 45 -8.494 -5.832 -8.831 1.00 0.00 H new ATOM 0 HA ALA B 45 -6.609 -5.108 -10.705 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.660 -7.493 -11.353 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -6.707 -7.287 -9.586 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -8.195 -7.691 -10.474 1.00 0.00 H new ATOM 1681 N GLU B 46 -9.576 -5.546 -12.027 1.00 0.00 N ATOM 1682 CA GLU B 46 -10.364 -5.342 -13.237 1.00 0.00 C ATOM 1683 C GLU B 46 -10.297 -3.887 -13.691 1.00 0.00 C ATOM 1684 O GLU B 46 -10.090 -3.603 -14.871 1.00 0.00 O ATOM 1685 CB GLU B 46 -11.820 -5.747 -12.998 1.00 0.00 C ATOM 1686 CG GLU B 46 -11.988 -7.198 -12.579 1.00 0.00 C ATOM 1687 CD GLU B 46 -13.228 -7.423 -11.736 1.00 0.00 C ATOM 1688 OE1 GLU B 46 -14.325 -7.014 -12.172 1.00 0.00 O ATOM 1689 OE2 GLU B 46 -13.102 -8.008 -10.640 1.00 0.00 O ATOM 0 H GLU B 46 -10.124 -5.795 -11.203 1.00 0.00 H new ATOM 0 HA GLU B 46 -9.944 -5.969 -14.023 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -12.245 -5.104 -12.228 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -12.391 -5.573 -13.910 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -12.040 -7.825 -13.469 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -11.109 -7.514 -12.017 1.00 0.00 H new ATOM 1696 N ARG B 47 -10.475 -2.970 -12.746 1.00 0.00 N ATOM 1697 CA ARG B 47 -10.437 -1.544 -13.049 1.00 0.00 C ATOM 1698 C ARG B 47 -9.079 -1.146 -13.619 1.00 0.00 C ATOM 1699 O ARG B 47 -8.995 -0.559 -14.698 1.00 0.00 O ATOM 1700 CB ARG B 47 -10.734 -0.726 -11.791 1.00 0.00 C ATOM 1701 CG ARG B 47 -10.664 0.776 -12.011 1.00 0.00 C ATOM 1702 CD ARG B 47 -9.303 1.333 -11.622 1.00 0.00 C ATOM 1703 NE ARG B 47 -9.156 2.736 -12.002 1.00 0.00 N ATOM 1704 CZ ARG B 47 -9.806 3.730 -11.408 1.00 0.00 C ATOM 1705 NH1 ARG B 47 -10.642 3.478 -10.410 1.00 0.00 N ATOM 1706 NH2 ARG B 47 -9.620 4.981 -11.811 1.00 0.00 N ATOM 0 H ARG B 47 -10.647 -3.189 -11.765 1.00 0.00 H new ATOM 0 HA ARG B 47 -11.201 -1.336 -13.798 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.728 -0.985 -11.425 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -10.025 -1.004 -11.011 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -10.865 1.001 -13.058 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -11.441 1.267 -11.425 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -9.165 1.233 -10.545 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -8.520 0.744 -12.100 1.00 0.00 H new ATOM 0 HE ARG B 47 -8.519 2.965 -12.765 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.787 2.518 -10.096 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -11.140 4.244 -9.956 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -8.977 5.180 -12.578 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.120 5.744 -11.354 1.00 0.00 H new ATOM 1720 N VAL B 48 -8.018 -1.468 -12.886 1.00 0.00 N ATOM 1721 CA VAL B 48 -6.663 -1.144 -13.319 1.00 0.00 C ATOM 1722 C VAL B 48 -6.363 -1.750 -14.685 1.00 0.00 C ATOM 1723 O VAL B 48 -5.706 -1.128 -15.520 1.00 0.00 O ATOM 1724 CB VAL B 48 -5.616 -1.645 -12.306 1.00 0.00 C ATOM 1725 CG1 VAL B 48 -5.745 -0.895 -10.989 1.00 0.00 C ATOM 1726 CG2 VAL B 48 -5.758 -3.144 -12.091 1.00 0.00 C ATOM 0 H VAL B 48 -8.070 -1.953 -11.990 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.603 -0.058 -13.386 1.00 0.00 H new ATOM 0 HB VAL B 48 -4.623 -1.451 -12.711 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -4.997 -1.263 -10.286 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -5.589 0.170 -11.160 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -6.741 -1.054 -10.576 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -5.011 -3.481 -11.373 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -6.755 -3.364 -11.708 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -5.611 -3.663 -13.038 1.00 0.00 H new ATOM 1736 N ARG B 49 -6.850 -2.967 -14.907 1.00 0.00 N ATOM 1737 CA ARG B 49 -6.633 -3.658 -16.172 1.00 0.00 C ATOM 1738 C ARG B 49 -7.207 -2.854 -17.335 1.00 0.00 C ATOM 1739 O ARG B 49 -6.514 -2.577 -18.313 1.00 0.00 O ATOM 1740 CB ARG B 49 -7.270 -5.048 -16.134 1.00 0.00 C ATOM 1741 CG ARG B 49 -6.301 -6.152 -15.745 1.00 0.00 C ATOM 1742 CD ARG B 49 -7.018 -7.312 -15.073 1.00 0.00 C ATOM 1743 NE ARG B 49 -6.622 -8.600 -15.636 1.00 0.00 N ATOM 1744 CZ ARG B 49 -6.983 -9.770 -15.120 1.00 0.00 C ATOM 1745 NH1 ARG B 49 -7.743 -9.813 -14.035 1.00 0.00 N ATOM 1746 NH2 ARG B 49 -6.582 -10.900 -15.689 1.00 0.00 N ATOM 0 H ARG B 49 -7.397 -3.494 -14.227 1.00 0.00 H new ATOM 0 HA ARG B 49 -5.558 -3.763 -16.321 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -8.100 -5.039 -15.427 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -7.689 -5.273 -17.115 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -5.780 -6.510 -16.633 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -5.543 -5.752 -15.071 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -6.802 -7.302 -14.005 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -8.095 -7.184 -15.182 1.00 0.00 H new ATOM 0 HE ARG B 49 -6.036 -8.602 -16.471 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -8.052 -8.947 -13.594 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -8.019 -10.712 -13.641 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -5.996 -10.871 -16.523 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -6.860 -11.798 -15.292 1.00 0.00 H new ATOM 1760 N ALA B 50 -8.479 -2.485 -17.222 1.00 0.00 N ATOM 1761 CA ALA B 50 -9.146 -1.713 -18.262 1.00 0.00 C ATOM 1762 C ALA B 50 -8.436 -0.385 -18.502 1.00 0.00 C ATOM 1763 O ALA B 50 -7.997 -0.098 -19.615 1.00 0.00 O ATOM 1764 CB ALA B 50 -10.603 -1.475 -17.892 1.00 0.00 C ATOM 0 H ALA B 50 -9.068 -2.709 -16.420 1.00 0.00 H new ATOM 0 HA ALA B 50 -9.107 -2.288 -19.187 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.088 -0.897 -18.678 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.111 -2.433 -17.780 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.655 -0.924 -16.953 1.00 0.00 H new ATOM 1770 N GLU B 51 -8.327 0.421 -17.450 1.00 0.00 N ATOM 1771 CA GLU B 51 -7.670 1.719 -17.548 1.00 0.00 C ATOM 1772 C GLU B 51 -6.266 1.576 -18.127 1.00 0.00 C ATOM 1773 O GLU B 51 -5.854 2.356 -18.988 1.00 0.00 O ATOM 1774 CB GLU B 51 -7.601 2.386 -16.173 1.00 0.00 C ATOM 1775 CG GLU B 51 -8.963 2.611 -15.537 1.00 0.00 C ATOM 1776 CD GLU B 51 -10.023 2.998 -16.549 1.00 0.00 C ATOM 1777 OE1 GLU B 51 -9.787 3.950 -17.322 1.00 0.00 O ATOM 1778 OE2 GLU B 51 -11.089 2.348 -16.569 1.00 0.00 O ATOM 0 H GLU B 51 -8.685 0.198 -16.521 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.259 2.345 -18.218 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -6.997 1.768 -15.509 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.091 3.345 -16.269 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -9.273 1.702 -15.021 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -8.883 3.394 -14.783 1.00 0.00 H new ATOM 1785 N LEU B 52 -5.534 0.576 -17.650 1.00 0.00 N ATOM 1786 CA LEU B 52 -4.175 0.329 -18.119 1.00 0.00 C ATOM 1787 C LEU B 52 -4.143 0.170 -19.635 1.00 0.00 C ATOM 1788 O LEU B 52 -3.419 0.884 -20.329 1.00 0.00 O ATOM 1789 CB LEU B 52 -3.603 -0.922 -17.451 1.00 0.00 C ATOM 1790 CG LEU B 52 -2.184 -1.314 -17.864 1.00 0.00 C ATOM 1791 CD1 LEU B 52 -1.257 -1.312 -16.658 1.00 0.00 C ATOM 1792 CD2 LEU B 52 -2.182 -2.679 -18.538 1.00 0.00 C ATOM 0 H LEU B 52 -5.859 -0.078 -16.938 1.00 0.00 H new ATOM 0 HA LEU B 52 -3.562 1.189 -17.849 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -3.617 -0.772 -16.371 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -4.267 -1.760 -17.665 1.00 0.00 H new ATOM 0 HG LEU B 52 -1.818 -0.577 -18.579 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -0.252 -1.593 -16.971 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -1.234 -0.315 -16.218 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -1.620 -2.026 -15.919 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -1.164 -2.942 -18.825 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -2.568 -3.427 -17.846 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -2.813 -2.647 -19.426 1.00 0.00 H new ATOM 1804 N ALA B 53 -4.934 -0.769 -20.144 1.00 0.00 N ATOM 1805 CA ALA B 53 -4.999 -1.019 -21.578 1.00 0.00 C ATOM 1806 C ALA B 53 -5.352 0.253 -22.341 1.00 0.00 C ATOM 1807 O ALA B 53 -4.832 0.501 -23.429 1.00 0.00 O ATOM 1808 CB ALA B 53 -6.011 -2.114 -21.878 1.00 0.00 C ATOM 0 H ALA B 53 -5.539 -1.369 -19.584 1.00 0.00 H new ATOM 0 HA ALA B 53 -4.014 -1.349 -21.909 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -6.049 -2.290 -22.953 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -5.715 -3.032 -21.370 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.996 -1.806 -21.526 1.00 0.00 H new ATOM 1814 N ARG B 54 -6.240 1.057 -21.765 1.00 0.00 N ATOM 1815 CA ARG B 54 -6.665 2.302 -22.392 1.00 0.00 C ATOM 1816 C ARG B 54 -5.566 3.358 -22.302 1.00 0.00 C ATOM 1817 O ARG B 54 -5.525 4.296 -23.099 1.00 0.00 O ATOM 1818 CB ARG B 54 -7.942 2.822 -21.730 1.00 0.00 C ATOM 1819 CG ARG B 54 -9.203 2.117 -22.201 1.00 0.00 C ATOM 1820 CD ARG B 54 -10.318 2.223 -21.173 1.00 0.00 C ATOM 1821 NE ARG B 54 -11.491 2.910 -21.707 1.00 0.00 N ATOM 1822 CZ ARG B 54 -12.361 2.343 -22.536 1.00 0.00 C ATOM 1823 NH1 ARG B 54 -12.190 1.087 -22.923 1.00 0.00 N ATOM 1824 NH2 ARG B 54 -13.404 3.033 -22.978 1.00 0.00 N ATOM 0 H ARG B 54 -6.679 0.868 -20.864 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.866 2.100 -23.444 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -7.854 2.707 -20.650 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.036 3.889 -21.930 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.534 2.552 -23.144 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.983 1.067 -22.394 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.602 1.224 -20.842 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -9.953 2.757 -20.296 1.00 0.00 H new ATOM 0 HE ARG B 54 -11.651 3.878 -21.428 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -11.389 0.554 -22.584 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -12.859 0.654 -23.559 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.539 4.000 -22.682 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -14.071 2.597 -23.614 1.00 0.00 H new ATOM 1838 N PHE B 55 -4.678 3.198 -21.327 1.00 0.00 N ATOM 1839 CA PHE B 55 -3.580 4.138 -21.131 1.00 0.00 C ATOM 1840 C PHE B 55 -2.390 3.775 -22.014 1.00 0.00 C ATOM 1841 O PHE B 55 -1.701 4.651 -22.539 1.00 0.00 O ATOM 1842 CB PHE B 55 -3.153 4.158 -19.662 1.00 0.00 C ATOM 1843 CG PHE B 55 -2.476 5.434 -19.252 1.00 0.00 C ATOM 1844 CD1 PHE B 55 -3.069 6.661 -19.506 1.00 0.00 C ATOM 1845 CD2 PHE B 55 -1.248 5.408 -18.612 1.00 0.00 C ATOM 1846 CE1 PHE B 55 -2.450 7.838 -19.129 1.00 0.00 C ATOM 1847 CE2 PHE B 55 -0.624 6.582 -18.233 1.00 0.00 C ATOM 1848 CZ PHE B 55 -1.225 7.798 -18.493 1.00 0.00 C ATOM 0 H PHE B 55 -4.697 2.426 -20.660 1.00 0.00 H new ATOM 0 HA PHE B 55 -3.930 5.131 -21.413 1.00 0.00 H new ATOM 0 HB2 PHE B 55 -4.031 4.004 -19.035 1.00 0.00 H new ATOM 0 HB3 PHE B 55 -2.478 3.322 -19.477 1.00 0.00 H new ATOM 0 HD1 PHE B 55 -4.026 6.698 -20.005 1.00 0.00 H new ATOM 0 HD2 PHE B 55 -0.773 4.460 -18.407 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -2.924 8.787 -19.332 1.00 0.00 H new ATOM 0 HE2 PHE B 55 0.333 6.548 -17.734 1.00 0.00 H new ATOM 0 HZ PHE B 55 -0.738 8.716 -18.199 1.00 0.00 H new ATOM 1858 N LEU B 56 -2.153 2.477 -22.172 1.00 0.00 N ATOM 1859 CA LEU B 56 -1.045 1.996 -22.991 1.00 0.00 C ATOM 1860 C LEU B 56 -1.134 2.551 -24.408 1.00 0.00 C ATOM 1861 O LEU B 56 -0.121 2.903 -25.012 1.00 0.00 O ATOM 1862 CB LEU B 56 -1.040 0.467 -23.029 1.00 0.00 C ATOM 1863 CG LEU B 56 -0.248 -0.230 -21.922 1.00 0.00 C ATOM 1864 CD1 LEU B 56 -0.446 -1.736 -21.991 1.00 0.00 C ATOM 1865 CD2 LEU B 56 1.230 0.120 -22.023 1.00 0.00 C ATOM 0 H LEU B 56 -2.713 1.739 -21.744 1.00 0.00 H new ATOM 0 HA LEU B 56 -0.115 2.345 -22.542 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -2.072 0.119 -22.984 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.638 0.149 -23.991 1.00 0.00 H new ATOM 0 HG LEU B 56 -0.620 0.121 -20.959 1.00 0.00 H new ATOM 0 HD11 LEU B 56 0.125 -2.215 -21.196 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -1.504 -1.970 -21.870 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -0.102 -2.104 -22.957 1.00 0.00 H new ATOM 0 HD21 LEU B 56 1.779 -0.385 -21.228 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.615 -0.202 -22.990 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.356 1.198 -21.923 1.00 0.00 H new