USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 15:sc= 0.751 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.506 K(o=-0.51,f=0) USER MOD Single : A 20 SER OG : rot -86:sc= 1.08 USER MOD Single : A 21 LYS NZ :NH3+ 156:sc=-0.00427 (180deg=-0.383) USER MOD Single : A 23 MET CE :methyl -153:sc= -11.5! (180deg=-13.3!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.413 K(o=-0.41,f=-1.8!) USER MOD Single : A 29 MET CE :methyl 180:sc= -0.0173 (180deg=-0.0173) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 34 TYR OH : rot 43:sc= -2.95! USER MOD Single : A 35 ASN : amide:sc=-0.000867 X(o=-0.00087,f=0) USER MOD Single : A 37 ASN : amide:sc= -2.52! C(o=-2.5!,f=-8.6!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -2:sc= 0.271 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0436 USER MOD Single : A 49 ASN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.724 K(o=-0.72,f=-4.7!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 0:sc= 0.757! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.474 14.169 -4.465 1.00 0.00 N ATOM 2 CA GLY A 1 0.641 14.720 -5.215 1.00 0.00 C ATOM 3 C GLY A 1 1.865 14.912 -4.317 1.00 0.00 C ATOM 4 O GLY A 1 2.607 13.965 -4.062 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.291 14.048 -5.097 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.204 13.246 -4.069 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.727 14.817 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.892 14.055 -6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.353 15.676 -5.652 1.00 0.00 H new ATOM 8 N SER A 2 2.037 16.144 -3.861 1.00 0.00 N ATOM 9 CA SER A 2 3.159 16.472 -2.997 1.00 0.00 C ATOM 10 C SER A 2 2.907 17.809 -2.297 1.00 0.00 C ATOM 11 O SER A 2 2.713 18.831 -2.954 1.00 0.00 O ATOM 12 CB SER A 2 4.467 16.525 -3.788 1.00 0.00 C ATOM 13 OG SER A 2 5.519 17.130 -3.040 1.00 0.00 O ATOM 0 H SER A 2 1.419 16.927 -4.073 1.00 0.00 H new ATOM 0 HA SER A 2 3.252 15.688 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.760 15.514 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.310 17.084 -4.711 1.00 0.00 H new ATOM 0 HG SER A 2 6.338 17.144 -3.579 1.00 0.00 H new ATOM 18 N SER A 3 2.918 17.759 -0.973 1.00 0.00 N ATOM 19 CA SER A 3 2.692 18.954 -0.178 1.00 0.00 C ATOM 20 C SER A 3 1.326 19.555 -0.510 1.00 0.00 C ATOM 21 O SER A 3 1.185 20.280 -1.493 1.00 0.00 O ATOM 22 CB SER A 3 3.797 19.987 -0.411 1.00 0.00 C ATOM 23 OG SER A 3 4.129 20.692 0.782 1.00 0.00 O ATOM 0 H SER A 3 3.080 16.910 -0.431 1.00 0.00 H new ATOM 0 HA SER A 3 2.710 18.672 0.875 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.686 19.487 -0.796 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.475 20.696 -1.174 1.00 0.00 H new ATOM 0 HG SER A 3 4.839 21.340 0.592 1.00 0.00 H new ATOM 28 N GLY A 4 0.352 19.230 0.329 1.00 0.00 N ATOM 29 CA GLY A 4 -0.999 19.728 0.137 1.00 0.00 C ATOM 30 C GLY A 4 -1.750 18.890 -0.900 1.00 0.00 C ATOM 31 O GLY A 4 -1.516 17.688 -1.019 1.00 0.00 O ATOM 0 H GLY A 4 0.473 18.628 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.536 19.707 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.964 20.768 -0.187 1.00 0.00 H new ATOM 35 N SER A 5 -2.636 19.557 -1.625 1.00 0.00 N ATOM 36 CA SER A 5 -3.422 18.889 -2.647 1.00 0.00 C ATOM 37 C SER A 5 -2.514 18.429 -3.790 1.00 0.00 C ATOM 38 O SER A 5 -2.455 17.241 -4.100 1.00 0.00 O ATOM 39 CB SER A 5 -4.524 19.807 -3.182 1.00 0.00 C ATOM 40 OG SER A 5 -5.610 19.069 -3.739 1.00 0.00 O ATOM 0 H SER A 5 -2.827 20.554 -1.524 1.00 0.00 H new ATOM 0 HA SER A 5 -3.898 18.018 -2.197 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.892 20.440 -2.375 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.108 20.469 -3.942 1.00 0.00 H new ATOM 0 HG SER A 5 -6.293 19.690 -4.068 1.00 0.00 H new ATOM 45 N SER A 6 -1.828 19.395 -4.382 1.00 0.00 N ATOM 46 CA SER A 6 -0.925 19.104 -5.483 1.00 0.00 C ATOM 47 C SER A 6 0.088 20.239 -5.643 1.00 0.00 C ATOM 48 O SER A 6 -0.250 21.313 -6.139 1.00 0.00 O ATOM 49 CB SER A 6 -1.697 18.894 -6.788 1.00 0.00 C ATOM 50 OG SER A 6 -2.411 17.661 -6.794 1.00 0.00 O ATOM 0 H SER A 6 -1.879 20.380 -4.121 1.00 0.00 H new ATOM 0 HA SER A 6 -0.393 18.180 -5.254 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.396 19.718 -6.932 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.002 18.914 -7.628 1.00 0.00 H new ATOM 0 HG SER A 6 -2.455 17.304 -5.882 1.00 0.00 H new ATOM 55 N GLY A 7 1.310 19.964 -5.213 1.00 0.00 N ATOM 56 CA GLY A 7 2.375 20.948 -5.301 1.00 0.00 C ATOM 57 C GLY A 7 2.407 21.598 -6.686 1.00 0.00 C ATOM 58 O GLY A 7 1.868 21.048 -7.646 1.00 0.00 O ATOM 0 H GLY A 7 1.587 19.072 -4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.231 21.714 -4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.334 20.471 -5.097 1.00 0.00 H new ATOM 62 N PRO A 8 3.061 22.788 -6.748 1.00 0.00 N ATOM 63 CA PRO A 8 3.171 23.519 -7.999 1.00 0.00 C ATOM 64 C PRO A 8 4.198 22.867 -8.927 1.00 0.00 C ATOM 65 O PRO A 8 5.200 23.486 -9.280 1.00 0.00 O ATOM 66 CB PRO A 8 3.549 24.935 -7.596 1.00 0.00 C ATOM 67 CG PRO A 8 4.090 24.835 -6.179 1.00 0.00 C ATOM 68 CD PRO A 8 3.712 23.468 -5.631 1.00 0.00 C ATOM 0 HA PRO A 8 2.243 23.516 -8.570 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.299 25.346 -8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.684 25.597 -7.638 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.173 24.962 -6.174 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.673 25.625 -5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.591 22.920 -5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.042 23.556 -4.776 1.00 0.00 H new ATOM 73 N SER A 9 3.913 21.626 -9.294 1.00 0.00 N ATOM 74 CA SER A 9 4.801 20.884 -10.173 1.00 0.00 C ATOM 75 C SER A 9 4.182 19.527 -10.516 1.00 0.00 C ATOM 76 O SER A 9 3.299 19.046 -9.807 1.00 0.00 O ATOM 77 CB SER A 9 6.177 20.692 -9.534 1.00 0.00 C ATOM 78 OG SER A 9 7.230 21.117 -10.395 1.00 0.00 O ATOM 0 H SER A 9 3.080 21.116 -8.999 1.00 0.00 H new ATOM 0 HA SER A 9 4.934 21.459 -11.089 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.224 21.252 -8.600 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.316 19.641 -9.283 1.00 0.00 H new ATOM 0 HG SER A 9 8.092 20.980 -9.950 1.00 0.00 H new ATOM 83 N HIS A 10 4.669 18.948 -11.604 1.00 0.00 N ATOM 84 CA HIS A 10 4.175 17.657 -12.050 1.00 0.00 C ATOM 85 C HIS A 10 4.493 16.594 -10.996 1.00 0.00 C ATOM 86 O HIS A 10 3.587 15.986 -10.428 1.00 0.00 O ATOM 87 CB HIS A 10 4.733 17.309 -13.431 1.00 0.00 C ATOM 88 CG HIS A 10 3.981 17.944 -14.575 1.00 0.00 C ATOM 89 ND1 HIS A 10 3.639 19.286 -14.596 1.00 0.00 N ATOM 90 CD2 HIS A 10 3.509 17.409 -15.738 1.00 0.00 C ATOM 91 CE1 HIS A 10 2.991 19.535 -15.724 1.00 0.00 C ATOM 92 NE2 HIS A 10 2.910 18.370 -16.430 1.00 0.00 N ATOM 0 H HIS A 10 5.401 19.350 -12.190 1.00 0.00 H new ATOM 0 HA HIS A 10 3.091 17.697 -12.160 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.777 17.620 -13.479 1.00 0.00 H new ATOM 0 HB3 HIS A 10 4.717 16.226 -13.556 1.00 0.00 H new ATOM 0 HD2 HIS A 10 3.606 16.378 -16.044 1.00 0.00 H new ATOM 0 HE1 HIS A 10 2.596 20.492 -16.031 1.00 0.00 H new ATOM 0 HE2 HIS A 10 2.463 18.257 -17.340 1.00 0.00 H new ATOM 99 N SER A 11 5.784 16.402 -10.767 1.00 0.00 N ATOM 100 CA SER A 11 6.234 15.423 -9.793 1.00 0.00 C ATOM 101 C SER A 11 5.430 14.129 -9.941 1.00 0.00 C ATOM 102 O SER A 11 4.418 13.942 -9.268 1.00 0.00 O ATOM 103 CB SER A 11 6.106 15.966 -8.368 1.00 0.00 C ATOM 104 OG SER A 11 7.180 16.841 -8.032 1.00 0.00 O ATOM 0 H SER A 11 6.533 16.908 -11.240 1.00 0.00 H new ATOM 0 HA SER A 11 7.287 15.213 -9.981 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.160 16.497 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.082 15.134 -7.664 1.00 0.00 H new ATOM 0 HG SER A 11 7.061 17.168 -7.116 1.00 0.00 H new ATOM 109 N LEU A 12 5.913 13.270 -10.827 1.00 0.00 N ATOM 110 CA LEU A 12 5.253 11.999 -11.072 1.00 0.00 C ATOM 111 C LEU A 12 6.293 10.877 -11.058 1.00 0.00 C ATOM 112 O LEU A 12 7.360 11.008 -11.657 1.00 0.00 O ATOM 113 CB LEU A 12 4.433 12.061 -12.363 1.00 0.00 C ATOM 114 CG LEU A 12 2.967 11.641 -12.247 1.00 0.00 C ATOM 115 CD1 LEU A 12 2.078 12.493 -13.157 1.00 0.00 C ATOM 116 CD2 LEU A 12 2.801 10.145 -12.523 1.00 0.00 C ATOM 0 H LEU A 12 6.753 13.429 -11.383 1.00 0.00 H new ATOM 0 HA LEU A 12 4.539 11.782 -10.278 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.469 13.082 -12.744 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.914 11.426 -13.107 1.00 0.00 H new ATOM 0 HG LEU A 12 2.642 11.818 -11.222 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.041 12.173 -13.055 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.164 13.541 -12.872 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.395 12.371 -14.193 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.749 9.873 -12.434 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.150 9.920 -13.531 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.386 9.575 -11.801 1.00 0.00 H new ATOM 127 N GLN A 13 5.946 9.800 -10.369 1.00 0.00 N ATOM 128 CA GLN A 13 6.836 8.656 -10.269 1.00 0.00 C ATOM 129 C GLN A 13 6.051 7.405 -9.872 1.00 0.00 C ATOM 130 O GLN A 13 4.869 7.489 -9.539 1.00 0.00 O ATOM 131 CB GLN A 13 7.970 8.929 -9.279 1.00 0.00 C ATOM 132 CG GLN A 13 7.507 8.702 -7.839 1.00 0.00 C ATOM 133 CD GLN A 13 8.240 9.635 -6.873 1.00 0.00 C ATOM 134 OE1 GLN A 13 9.457 9.664 -6.801 1.00 0.00 O ATOM 135 NE2 GLN A 13 7.433 10.395 -6.138 1.00 0.00 N ATOM 0 H GLN A 13 5.060 9.695 -9.874 1.00 0.00 H new ATOM 0 HA GLN A 13 7.285 8.483 -11.247 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.815 8.277 -9.500 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.320 9.955 -9.395 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.432 8.871 -7.768 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.686 7.665 -7.555 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.422 10.321 -6.248 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.825 11.052 -5.464 1.00 0.00 H new ATOM 142 N ALA A 14 6.738 6.273 -9.920 1.00 0.00 N ATOM 143 CA ALA A 14 6.119 5.006 -9.570 1.00 0.00 C ATOM 144 C ALA A 14 5.316 5.176 -8.280 1.00 0.00 C ATOM 145 O ALA A 14 5.617 6.048 -7.466 1.00 0.00 O ATOM 146 CB ALA A 14 7.198 3.928 -9.448 1.00 0.00 C ATOM 0 H ALA A 14 7.718 6.207 -10.196 1.00 0.00 H new ATOM 0 HA ALA A 14 5.427 4.688 -10.350 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.734 2.977 -9.185 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.720 3.827 -10.399 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.909 4.211 -8.672 1.00 0.00 H new ATOM 152 N PRO A 15 4.281 4.306 -8.127 1.00 0.00 N ATOM 153 CA PRO A 15 3.432 4.351 -6.950 1.00 0.00 C ATOM 154 C PRO A 15 4.150 3.765 -5.733 1.00 0.00 C ATOM 155 O PRO A 15 4.438 4.478 -4.773 1.00 0.00 O ATOM 156 CB PRO A 15 2.184 3.574 -7.335 1.00 0.00 C ATOM 157 CG PRO A 15 2.572 2.733 -8.539 1.00 0.00 C ATOM 158 CD PRO A 15 3.895 3.260 -9.070 1.00 0.00 C ATOM 0 HA PRO A 15 3.176 5.369 -6.655 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.846 2.945 -6.512 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.363 4.249 -7.578 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.664 1.684 -8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.802 2.790 -9.308 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.646 2.471 -9.116 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.787 3.657 -10.079 1.00 0.00 H new ATOM 163 N GLU A 16 4.419 2.469 -5.813 1.00 0.00 N ATOM 164 CA GLU A 16 5.098 1.778 -4.730 1.00 0.00 C ATOM 165 C GLU A 16 6.268 2.620 -4.213 1.00 0.00 C ATOM 166 O GLU A 16 6.506 2.685 -3.009 1.00 0.00 O ATOM 167 CB GLU A 16 5.574 0.394 -5.176 1.00 0.00 C ATOM 168 CG GLU A 16 6.219 0.456 -6.562 1.00 0.00 C ATOM 169 CD GLU A 16 7.688 0.032 -6.503 1.00 0.00 C ATOM 170 OE1 GLU A 16 7.991 -0.852 -5.673 1.00 0.00 O ATOM 171 OE2 GLU A 16 8.475 0.602 -7.289 1.00 0.00 O ATOM 0 H GLU A 16 4.179 1.880 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 16 4.389 1.637 -3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.291 0.002 -4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.731 -0.296 -5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.677 -0.194 -7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.145 1.469 -6.956 1.00 0.00 H new ATOM 176 N VAL A 17 6.966 3.242 -5.151 1.00 0.00 N ATOM 177 CA VAL A 17 8.104 4.077 -4.806 1.00 0.00 C ATOM 178 C VAL A 17 7.626 5.262 -3.964 1.00 0.00 C ATOM 179 O VAL A 17 8.267 5.627 -2.980 1.00 0.00 O ATOM 180 CB VAL A 17 8.843 4.504 -6.075 1.00 0.00 C ATOM 181 CG1 VAL A 17 9.842 5.625 -5.777 1.00 0.00 C ATOM 182 CG2 VAL A 17 9.539 3.312 -6.733 1.00 0.00 C ATOM 0 H VAL A 17 6.766 3.185 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 17 8.819 3.518 -4.202 1.00 0.00 H new ATOM 0 HB VAL A 17 8.104 4.890 -6.778 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.354 5.910 -6.696 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.311 6.488 -5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.573 5.276 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.057 3.644 -7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.260 2.882 -6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.797 2.559 -6.998 1.00 0.00 H new ATOM 192 N ARG A 18 6.504 5.828 -4.382 1.00 0.00 N ATOM 193 CA ARG A 18 5.932 6.965 -3.679 1.00 0.00 C ATOM 194 C ARG A 18 5.376 6.524 -2.324 1.00 0.00 C ATOM 195 O ARG A 18 5.551 7.217 -1.322 1.00 0.00 O ATOM 196 CB ARG A 18 4.813 7.612 -4.497 1.00 0.00 C ATOM 197 CG ARG A 18 4.671 9.096 -4.155 1.00 0.00 C ATOM 198 CD ARG A 18 3.245 9.585 -4.413 1.00 0.00 C ATOM 199 NE ARG A 18 3.005 9.696 -5.870 1.00 0.00 N ATOM 200 CZ ARG A 18 1.934 10.291 -6.411 1.00 0.00 C ATOM 201 NH1 ARG A 18 0.996 10.833 -5.621 1.00 0.00 N ATOM 202 NH2 ARG A 18 1.799 10.345 -7.744 1.00 0.00 N ATOM 0 H ARG A 18 5.975 5.521 -5.198 1.00 0.00 H new ATOM 0 HA ARG A 18 6.726 7.697 -3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.023 7.499 -5.561 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.872 7.099 -4.302 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.931 9.258 -3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.373 9.679 -4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.529 8.894 -3.969 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.091 10.553 -3.936 1.00 0.00 H new ATOM 0 HE ARG A 18 3.699 9.294 -6.501 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.098 10.792 -4.607 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.181 11.286 -6.034 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.512 9.933 -8.346 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.983 10.798 -8.156 1.00 0.00 H new ATOM 213 N PHE A 19 4.716 5.375 -2.335 1.00 0.00 N ATOM 214 CA PHE A 19 4.134 4.834 -1.119 1.00 0.00 C ATOM 215 C PHE A 19 4.947 3.646 -0.602 1.00 0.00 C ATOM 216 O PHE A 19 4.385 2.683 -0.084 1.00 0.00 O ATOM 217 CB PHE A 19 2.723 4.357 -1.473 1.00 0.00 C ATOM 218 CG PHE A 19 1.923 5.351 -2.316 1.00 0.00 C ATOM 219 CD1 PHE A 19 1.689 6.607 -1.847 1.00 0.00 C ATOM 220 CD2 PHE A 19 1.445 4.981 -3.534 1.00 0.00 C ATOM 221 CE1 PHE A 19 0.946 7.530 -2.629 1.00 0.00 C ATOM 222 CE2 PHE A 19 0.702 5.904 -4.316 1.00 0.00 C ATOM 223 CZ PHE A 19 0.468 7.160 -3.847 1.00 0.00 C ATOM 0 H PHE A 19 4.572 4.804 -3.168 1.00 0.00 H new ATOM 0 HA PHE A 19 4.123 5.597 -0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.795 3.413 -2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.177 4.156 -0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.069 6.902 -0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.631 3.984 -3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.760 8.527 -2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.322 5.609 -5.283 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.097 7.862 -4.442 1.00 0.00 H new ATOM 232 N SER A 20 6.257 3.752 -0.762 1.00 0.00 N ATOM 233 CA SER A 20 7.154 2.698 -0.318 1.00 0.00 C ATOM 234 C SER A 20 7.212 2.670 1.210 1.00 0.00 C ATOM 235 O SER A 20 6.938 1.642 1.827 1.00 0.00 O ATOM 236 CB SER A 20 8.557 2.887 -0.899 1.00 0.00 C ATOM 237 OG SER A 20 8.878 4.263 -1.083 1.00 0.00 O ATOM 0 H SER A 20 6.720 4.552 -1.193 1.00 0.00 H new ATOM 0 HA SER A 20 6.767 1.745 -0.678 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.289 2.430 -0.234 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.627 2.368 -1.855 1.00 0.00 H new ATOM 0 HG SER A 20 8.553 4.561 -1.958 1.00 0.00 H new ATOM 242 N LYS A 21 7.571 3.813 1.777 1.00 0.00 N ATOM 243 CA LYS A 21 7.668 3.933 3.223 1.00 0.00 C ATOM 244 C LYS A 21 6.474 3.231 3.870 1.00 0.00 C ATOM 245 O LYS A 21 6.581 2.711 4.980 1.00 0.00 O ATOM 246 CB LYS A 21 7.815 5.400 3.630 1.00 0.00 C ATOM 247 CG LYS A 21 9.239 5.899 3.380 1.00 0.00 C ATOM 248 CD LYS A 21 9.672 6.888 4.466 1.00 0.00 C ATOM 249 CE LYS A 21 8.931 8.218 4.322 1.00 0.00 C ATOM 250 NZ LYS A 21 7.726 8.236 5.180 1.00 0.00 N ATOM 0 H LYS A 21 7.798 4.664 1.262 1.00 0.00 H new ATOM 0 HA LYS A 21 8.566 3.434 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.108 6.010 3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.566 5.515 4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.926 5.053 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.294 6.379 2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.475 6.462 5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.747 7.057 4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.592 9.041 4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.646 8.371 3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.468 9.220 5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.939 7.773 4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.923 7.727 6.066 1.00 0.00 H new ATOM 260 N GLU A 22 5.363 3.236 3.149 1.00 0.00 N ATOM 261 CA GLU A 22 4.148 2.606 3.639 1.00 0.00 C ATOM 262 C GLU A 22 4.219 1.091 3.440 1.00 0.00 C ATOM 263 O GLU A 22 4.066 0.328 4.392 1.00 0.00 O ATOM 264 CB GLU A 22 2.912 3.192 2.955 1.00 0.00 C ATOM 265 CG GLU A 22 2.699 4.652 3.363 1.00 0.00 C ATOM 266 CD GLU A 22 3.347 5.602 2.354 1.00 0.00 C ATOM 267 OE1 GLU A 22 4.375 5.196 1.770 1.00 0.00 O ATOM 268 OE2 GLU A 22 2.800 6.714 2.188 1.00 0.00 O ATOM 0 H GLU A 22 5.278 3.667 2.228 1.00 0.00 H new ATOM 0 HA GLU A 22 4.062 2.809 4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.025 3.126 1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.033 2.605 3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.632 4.862 3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.123 4.823 4.353 1.00 0.00 H new ATOM 273 N MET A 23 4.450 0.700 2.195 1.00 0.00 N ATOM 274 CA MET A 23 4.543 -0.711 1.859 1.00 0.00 C ATOM 275 C MET A 23 5.449 -1.451 2.845 1.00 0.00 C ATOM 276 O MET A 23 5.175 -2.594 3.206 1.00 0.00 O ATOM 277 CB MET A 23 5.100 -0.862 0.441 1.00 0.00 C ATOM 278 CG MET A 23 4.061 -0.445 -0.602 1.00 0.00 C ATOM 279 SD MET A 23 2.613 -1.480 -0.470 1.00 0.00 S ATOM 280 CE MET A 23 3.006 -2.720 -1.693 1.00 0.00 C ATOM 0 H MET A 23 4.575 1.335 1.407 1.00 0.00 H new ATOM 0 HA MET A 23 3.545 -1.146 1.916 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.996 -0.251 0.331 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.397 -1.897 0.271 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.786 0.600 -0.456 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.486 -0.526 -1.603 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.084 -3.144 -2.090 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.575 -2.264 -2.504 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.600 -3.510 -1.233 1.00 0.00 H new ATOM 288 N GLU A 24 6.510 -0.769 3.251 1.00 0.00 N ATOM 289 CA GLU A 24 7.458 -1.348 4.187 1.00 0.00 C ATOM 290 C GLU A 24 6.789 -1.581 5.543 1.00 0.00 C ATOM 291 O GLU A 24 6.910 -2.659 6.122 1.00 0.00 O ATOM 292 CB GLU A 24 8.697 -0.462 4.332 1.00 0.00 C ATOM 293 CG GLU A 24 9.885 -1.053 3.571 1.00 0.00 C ATOM 294 CD GLU A 24 10.777 -1.878 4.503 1.00 0.00 C ATOM 295 OE1 GLU A 24 11.668 -1.264 5.128 1.00 0.00 O ATOM 296 OE2 GLU A 24 10.546 -3.105 4.569 1.00 0.00 O ATOM 0 H GLU A 24 6.734 0.179 2.949 1.00 0.00 H new ATOM 0 HA GLU A 24 7.785 -2.311 3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.480 0.538 3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.952 -0.357 5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.524 -1.681 2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.468 -0.250 3.120 1.00 0.00 H new ATOM 301 N CYS A 25 6.097 -0.551 6.011 1.00 0.00 N ATOM 302 CA CYS A 25 5.410 -0.630 7.288 1.00 0.00 C ATOM 303 C CYS A 25 4.327 -1.706 7.185 1.00 0.00 C ATOM 304 O CYS A 25 4.245 -2.593 8.033 1.00 0.00 O ATOM 305 CB CYS A 25 4.831 0.724 7.703 1.00 0.00 C ATOM 306 SG CYS A 25 5.044 0.970 9.505 1.00 0.00 S ATOM 0 H CYS A 25 5.998 0.342 5.528 1.00 0.00 H new ATOM 0 HA CYS A 25 6.119 -0.903 8.069 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.329 1.525 7.157 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.773 0.772 7.444 1.00 0.00 H new ATOM 0 HG CYS A 25 4.551 2.123 9.847 1.00 0.00 H new ATOM 311 N LEU A 26 3.521 -1.591 6.139 1.00 0.00 N ATOM 312 CA LEU A 26 2.447 -2.543 5.914 1.00 0.00 C ATOM 313 C LEU A 26 2.988 -3.965 6.081 1.00 0.00 C ATOM 314 O LEU A 26 2.406 -4.772 6.804 1.00 0.00 O ATOM 315 CB LEU A 26 1.785 -2.292 4.557 1.00 0.00 C ATOM 316 CG LEU A 26 1.065 -0.952 4.399 1.00 0.00 C ATOM 317 CD1 LEU A 26 0.639 -0.726 2.948 1.00 0.00 C ATOM 318 CD2 LEU A 26 -0.116 -0.847 5.367 1.00 0.00 C ATOM 0 H LEU A 26 3.591 -0.853 5.438 1.00 0.00 H new ATOM 0 HA LEU A 26 1.660 -2.412 6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.549 -2.364 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.067 -3.091 4.372 1.00 0.00 H new ATOM 0 HG LEU A 26 1.764 -0.156 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.129 0.234 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.520 -0.727 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.036 -1.524 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.611 0.115 5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.824 -1.650 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.245 -0.931 6.392 1.00 0.00 H new ATOM 329 N GLN A 27 4.093 -4.227 5.401 1.00 0.00 N ATOM 330 CA GLN A 27 4.718 -5.537 5.465 1.00 0.00 C ATOM 331 C GLN A 27 4.992 -5.924 6.920 1.00 0.00 C ATOM 332 O GLN A 27 4.565 -6.984 7.376 1.00 0.00 O ATOM 333 CB GLN A 27 6.005 -5.573 4.637 1.00 0.00 C ATOM 334 CG GLN A 27 5.875 -6.546 3.464 1.00 0.00 C ATOM 335 CD GLN A 27 6.561 -7.877 3.778 1.00 0.00 C ATOM 336 OE1 GLN A 27 6.877 -8.190 4.914 1.00 0.00 O ATOM 337 NE2 GLN A 27 6.772 -8.642 2.710 1.00 0.00 N ATOM 0 H GLN A 27 4.572 -3.554 4.802 1.00 0.00 H new ATOM 0 HA GLN A 27 4.030 -6.267 5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.229 -4.574 4.262 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.841 -5.871 5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.821 -6.719 3.245 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.318 -6.106 2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.483 -8.320 1.787 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.223 -9.551 2.815 1.00 0.00 H new ATOM 344 N ALA A 28 5.704 -5.043 7.609 1.00 0.00 N ATOM 345 CA ALA A 28 6.039 -5.279 9.002 1.00 0.00 C ATOM 346 C ALA A 28 4.800 -5.786 9.742 1.00 0.00 C ATOM 347 O ALA A 28 4.864 -6.788 10.454 1.00 0.00 O ATOM 348 CB ALA A 28 6.600 -3.995 9.617 1.00 0.00 C ATOM 0 H ALA A 28 6.057 -4.165 7.228 1.00 0.00 H new ATOM 0 HA ALA A 28 6.810 -6.045 9.086 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.851 -4.172 10.663 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.496 -3.693 9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.853 -3.204 9.552 1.00 0.00 H new ATOM 354 N MET A 29 3.701 -5.072 9.549 1.00 0.00 N ATOM 355 CA MET A 29 2.450 -5.437 10.190 1.00 0.00 C ATOM 356 C MET A 29 2.030 -6.857 9.804 1.00 0.00 C ATOM 357 O MET A 29 1.435 -7.573 10.608 1.00 0.00 O ATOM 358 CB MET A 29 1.356 -4.451 9.774 1.00 0.00 C ATOM 359 CG MET A 29 1.029 -3.483 10.913 1.00 0.00 C ATOM 360 SD MET A 29 -0.739 -3.374 11.133 1.00 0.00 S ATOM 361 CE MET A 29 -1.029 -1.728 10.506 1.00 0.00 C ATOM 0 H MET A 29 3.651 -4.242 8.958 1.00 0.00 H new ATOM 0 HA MET A 29 2.593 -5.401 11.270 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.681 -3.890 8.897 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.458 -4.998 9.488 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.498 -3.823 11.836 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.438 -2.497 10.692 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.092 -1.496 10.571 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.464 -1.008 11.098 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.708 -1.673 9.466 1.00 0.00 H new ATOM 369 N GLY A 30 2.355 -7.222 8.572 1.00 0.00 N ATOM 370 CA GLY A 30 2.020 -8.543 8.069 1.00 0.00 C ATOM 371 C GLY A 30 1.416 -8.459 6.665 1.00 0.00 C ATOM 372 O GLY A 30 1.334 -9.463 5.960 1.00 0.00 O ATOM 0 H GLY A 30 2.847 -6.625 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.915 -9.165 8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.313 -9.025 8.745 1.00 0.00 H new ATOM 376 N PHE A 31 1.011 -7.250 6.302 1.00 0.00 N ATOM 377 CA PHE A 31 0.418 -7.022 4.995 1.00 0.00 C ATOM 378 C PHE A 31 1.444 -7.245 3.882 1.00 0.00 C ATOM 379 O PHE A 31 1.917 -6.289 3.269 1.00 0.00 O ATOM 380 CB PHE A 31 -0.044 -5.565 4.962 1.00 0.00 C ATOM 381 CG PHE A 31 -1.191 -5.253 5.926 1.00 0.00 C ATOM 382 CD1 PHE A 31 -2.429 -5.768 5.699 1.00 0.00 C ATOM 383 CD2 PHE A 31 -0.973 -4.462 7.010 1.00 0.00 C ATOM 384 CE1 PHE A 31 -3.493 -5.479 6.593 1.00 0.00 C ATOM 385 CE2 PHE A 31 -2.037 -4.173 7.904 1.00 0.00 C ATOM 386 CZ PHE A 31 -3.274 -4.689 7.677 1.00 0.00 C ATOM 0 H PHE A 31 1.082 -6.419 6.890 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.409 -7.714 4.835 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.802 -4.921 5.200 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.358 -5.317 3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.603 -6.397 4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.010 -4.053 7.191 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.476 -5.887 6.412 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.864 -3.543 8.764 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.083 -4.471 8.358 1.00 0.00 H new ATOM 395 N VAL A 32 1.756 -8.512 3.653 1.00 0.00 N ATOM 396 CA VAL A 32 2.716 -8.872 2.625 1.00 0.00 C ATOM 397 C VAL A 32 2.098 -8.629 1.247 1.00 0.00 C ATOM 398 O VAL A 32 2.813 -8.422 0.268 1.00 0.00 O ATOM 399 CB VAL A 32 3.181 -10.317 2.824 1.00 0.00 C ATOM 400 CG1 VAL A 32 3.886 -10.485 4.172 1.00 0.00 C ATOM 401 CG2 VAL A 32 2.008 -11.292 2.693 1.00 0.00 C ATOM 0 H VAL A 32 1.360 -9.302 4.162 1.00 0.00 H new ATOM 0 HA VAL A 32 3.605 -8.245 2.698 1.00 0.00 H new ATOM 0 HB VAL A 32 3.900 -10.550 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.206 -11.520 4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.756 -9.829 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.199 -10.225 4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.364 -12.312 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.256 -11.060 3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.567 -11.200 1.700 1.00 0.00 H new ATOM 411 N ASN A 33 0.774 -8.660 1.215 1.00 0.00 N ATOM 412 CA ASN A 33 0.050 -8.445 -0.027 1.00 0.00 C ATOM 413 C ASN A 33 0.473 -7.105 -0.633 1.00 0.00 C ATOM 414 O ASN A 33 -0.132 -6.073 -0.350 1.00 0.00 O ATOM 415 CB ASN A 33 -1.460 -8.398 0.216 1.00 0.00 C ATOM 416 CG ASN A 33 -2.162 -9.578 -0.459 1.00 0.00 C ATOM 417 OD1 ASN A 33 -2.738 -9.461 -1.528 1.00 0.00 O ATOM 418 ND2 ASN A 33 -2.080 -10.717 0.222 1.00 0.00 N ATOM 0 H ASN A 33 0.183 -8.831 2.029 1.00 0.00 H new ATOM 0 HA ASN A 33 0.281 -9.271 -0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.660 -8.416 1.287 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.865 -7.462 -0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.515 -11.563 -0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.582 -10.745 1.112 1.00 0.00 H new ATOM 424 N TYR A 34 1.510 -7.166 -1.456 1.00 0.00 N ATOM 425 CA TYR A 34 2.021 -5.970 -2.104 1.00 0.00 C ATOM 426 C TYR A 34 1.012 -5.420 -3.116 1.00 0.00 C ATOM 427 O TYR A 34 0.494 -4.318 -2.944 1.00 0.00 O ATOM 428 CB TYR A 34 3.286 -6.402 -2.848 1.00 0.00 C ATOM 429 CG TYR A 34 4.015 -5.257 -3.553 1.00 0.00 C ATOM 430 CD1 TYR A 34 4.866 -4.437 -2.839 1.00 0.00 C ATOM 431 CD2 TYR A 34 3.822 -5.042 -4.902 1.00 0.00 C ATOM 432 CE1 TYR A 34 5.553 -3.359 -3.503 1.00 0.00 C ATOM 433 CE2 TYR A 34 4.508 -3.963 -5.565 1.00 0.00 C ATOM 434 CZ TYR A 34 5.340 -3.175 -4.833 1.00 0.00 C ATOM 435 OH TYR A 34 5.989 -2.157 -5.459 1.00 0.00 O ATOM 0 H TYR A 34 2.010 -8.024 -1.689 1.00 0.00 H new ATOM 0 HA TYR A 34 2.213 -5.188 -1.369 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.969 -6.872 -2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.020 -7.159 -3.586 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.017 -4.604 -1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.156 -5.683 -5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.222 -2.711 -2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.365 -3.784 -6.620 1.00 0.00 H new ATOM 0 HH TYR A 34 6.921 -2.128 -5.157 1.00 0.00 H new ATOM 444 N ASN A 35 0.764 -6.214 -4.147 1.00 0.00 N ATOM 445 CA ASN A 35 -0.173 -5.821 -5.185 1.00 0.00 C ATOM 446 C ASN A 35 -1.390 -5.153 -4.542 1.00 0.00 C ATOM 447 O ASN A 35 -1.758 -4.039 -4.910 1.00 0.00 O ATOM 448 CB ASN A 35 -0.664 -7.037 -5.974 1.00 0.00 C ATOM 449 CG ASN A 35 -0.118 -7.019 -7.404 1.00 0.00 C ATOM 450 OD1 ASN A 35 -0.470 -6.182 -8.218 1.00 0.00 O ATOM 451 ND2 ASN A 35 0.755 -7.988 -7.662 1.00 0.00 N ATOM 0 H ASN A 35 1.196 -7.128 -4.286 1.00 0.00 H new ATOM 0 HA ASN A 35 0.340 -5.136 -5.860 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.349 -7.952 -5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.754 -7.045 -5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.174 -8.063 -8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.005 -8.656 -6.933 1.00 0.00 H new ATOM 457 N ALA A 36 -1.982 -5.864 -3.592 1.00 0.00 N ATOM 458 CA ALA A 36 -3.149 -5.354 -2.893 1.00 0.00 C ATOM 459 C ALA A 36 -2.811 -4.000 -2.266 1.00 0.00 C ATOM 460 O ALA A 36 -3.385 -2.977 -2.641 1.00 0.00 O ATOM 461 CB ALA A 36 -3.611 -6.378 -1.855 1.00 0.00 C ATOM 0 H ALA A 36 -1.675 -6.789 -3.291 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.975 -5.199 -3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.487 -5.995 -1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.867 -7.312 -2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.809 -6.557 -1.139 1.00 0.00 H new ATOM 467 N ASN A 37 -1.883 -4.035 -1.321 1.00 0.00 N ATOM 468 CA ASN A 37 -1.463 -2.825 -0.638 1.00 0.00 C ATOM 469 C ASN A 37 -1.273 -1.705 -1.664 1.00 0.00 C ATOM 470 O ASN A 37 -1.911 -0.658 -1.570 1.00 0.00 O ATOM 471 CB ASN A 37 -0.131 -3.034 0.085 1.00 0.00 C ATOM 472 CG ASN A 37 -0.295 -3.987 1.271 1.00 0.00 C ATOM 473 OD1 ASN A 37 -1.362 -4.127 1.845 1.00 0.00 O ATOM 474 ND2 ASN A 37 0.819 -4.632 1.604 1.00 0.00 N ATOM 0 H ASN A 37 -1.410 -4.884 -1.012 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.232 -2.565 0.090 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.605 -3.437 -0.611 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.252 -2.075 0.434 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.813 -5.291 2.383 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.679 -4.468 1.081 1.00 0.00 H new ATOM 480 N LEU A 38 -0.392 -1.965 -2.619 1.00 0.00 N ATOM 481 CA LEU A 38 -0.111 -0.993 -3.661 1.00 0.00 C ATOM 482 C LEU A 38 -1.419 -0.333 -4.105 1.00 0.00 C ATOM 483 O LEU A 38 -1.603 0.870 -3.927 1.00 0.00 O ATOM 484 CB LEU A 38 0.668 -1.644 -4.806 1.00 0.00 C ATOM 485 CG LEU A 38 1.823 -0.823 -5.383 1.00 0.00 C ATOM 486 CD1 LEU A 38 2.302 -1.411 -6.712 1.00 0.00 C ATOM 487 CD2 LEU A 38 1.436 0.651 -5.515 1.00 0.00 C ATOM 0 H LEU A 38 0.136 -2.835 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 38 0.532 -0.201 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.065 -2.596 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.030 -1.869 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 38 2.660 -0.875 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.123 -0.809 -7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.644 -2.434 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.480 -1.409 -7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.275 1.212 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.576 0.743 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.181 1.050 -4.533 1.00 0.00 H new ATOM 498 N GLN A 39 -2.292 -1.150 -4.674 1.00 0.00 N ATOM 499 CA GLN A 39 -3.577 -0.661 -5.144 1.00 0.00 C ATOM 500 C GLN A 39 -4.235 0.215 -4.077 1.00 0.00 C ATOM 501 O GLN A 39 -4.420 1.414 -4.279 1.00 0.00 O ATOM 502 CB GLN A 39 -4.493 -1.821 -5.542 1.00 0.00 C ATOM 503 CG GLN A 39 -4.152 -2.332 -6.943 1.00 0.00 C ATOM 504 CD GLN A 39 -5.405 -2.833 -7.665 1.00 0.00 C ATOM 505 OE1 GLN A 39 -5.993 -2.151 -8.487 1.00 0.00 O ATOM 506 NE2 GLN A 39 -5.779 -4.060 -7.312 1.00 0.00 N ATOM 0 H GLN A 39 -2.135 -2.147 -4.820 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.409 -0.052 -6.032 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.393 -2.632 -4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.533 -1.495 -5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.689 -1.533 -7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.422 -3.138 -6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.241 -4.577 -6.616 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.604 -4.484 -7.737 1.00 0.00 H new ATOM 513 N ALA A 40 -4.572 -0.419 -2.962 1.00 0.00 N ATOM 514 CA ALA A 40 -5.206 0.288 -1.862 1.00 0.00 C ATOM 515 C ALA A 40 -4.529 1.649 -1.679 1.00 0.00 C ATOM 516 O ALA A 40 -5.170 2.689 -1.824 1.00 0.00 O ATOM 517 CB ALA A 40 -5.139 -0.570 -0.597 1.00 0.00 C ATOM 0 H ALA A 40 -4.418 -1.414 -2.797 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.259 0.469 -2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.615 -0.040 0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.658 -1.513 -0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.097 -0.769 -0.347 1.00 0.00 H new ATOM 523 N LEU A 41 -3.243 1.598 -1.363 1.00 0.00 N ATOM 524 CA LEU A 41 -2.474 2.812 -1.158 1.00 0.00 C ATOM 525 C LEU A 41 -2.875 3.848 -2.211 1.00 0.00 C ATOM 526 O LEU A 41 -3.376 4.920 -1.872 1.00 0.00 O ATOM 527 CB LEU A 41 -0.976 2.502 -1.141 1.00 0.00 C ATOM 528 CG LEU A 41 -0.440 1.854 0.137 1.00 0.00 C ATOM 529 CD1 LEU A 41 0.873 1.115 -0.132 1.00 0.00 C ATOM 530 CD2 LEU A 41 -0.296 2.888 1.256 1.00 0.00 C ATOM 0 H LEU A 41 -2.715 0.734 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.698 3.244 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.752 1.844 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.431 3.431 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.164 1.112 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.232 0.664 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.706 0.336 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.617 1.819 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.087 2.402 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.397 3.669 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.269 3.331 1.470 1.00 0.00 H new ATOM 541 N ILE A 42 -2.641 3.492 -3.465 1.00 0.00 N ATOM 542 CA ILE A 42 -2.971 4.377 -4.568 1.00 0.00 C ATOM 543 C ILE A 42 -4.410 4.873 -4.405 1.00 0.00 C ATOM 544 O ILE A 42 -4.686 6.058 -4.590 1.00 0.00 O ATOM 545 CB ILE A 42 -2.708 3.686 -5.908 1.00 0.00 C ATOM 546 CG1 ILE A 42 -1.229 3.324 -6.055 1.00 0.00 C ATOM 547 CG2 ILE A 42 -3.207 4.541 -7.074 1.00 0.00 C ATOM 548 CD1 ILE A 42 -1.045 2.152 -7.022 1.00 0.00 C ATOM 0 H ILE A 42 -2.226 2.602 -3.742 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.326 5.256 -4.557 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.273 2.754 -5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.673 4.189 -6.417 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.816 3.064 -5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.008 4.026 -8.014 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.279 4.706 -6.971 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.690 5.501 -7.069 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.015 1.915 -7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.582 1.282 -6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.437 2.424 -8.002 1.00 0.00 H new ATOM 559 N ALA A 43 -5.288 3.943 -4.061 1.00 0.00 N ATOM 560 CA ALA A 43 -6.690 4.270 -3.872 1.00 0.00 C ATOM 561 C ALA A 43 -6.826 5.256 -2.710 1.00 0.00 C ATOM 562 O ALA A 43 -7.779 6.034 -2.660 1.00 0.00 O ATOM 563 CB ALA A 43 -7.488 2.985 -3.640 1.00 0.00 C ATOM 0 H ALA A 43 -5.055 2.962 -3.908 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.095 4.750 -4.763 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.540 3.231 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.382 2.330 -4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.111 2.478 -2.752 1.00 0.00 H new ATOM 569 N THR A 44 -5.860 5.194 -1.806 1.00 0.00 N ATOM 570 CA THR A 44 -5.860 6.073 -0.649 1.00 0.00 C ATOM 571 C THR A 44 -4.750 7.118 -0.772 1.00 0.00 C ATOM 572 O THR A 44 -4.380 7.757 0.212 1.00 0.00 O ATOM 573 CB THR A 44 -5.739 5.204 0.604 1.00 0.00 C ATOM 574 OG1 THR A 44 -4.443 4.621 0.501 1.00 0.00 O ATOM 575 CG2 THR A 44 -6.690 4.005 0.580 1.00 0.00 C ATOM 0 H THR A 44 -5.072 4.549 -1.851 1.00 0.00 H new ATOM 0 HA THR A 44 -6.789 6.639 -0.583 1.00 0.00 H new ATOM 0 HB THR A 44 -5.942 5.811 1.486 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.021 4.908 -0.336 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.563 3.422 1.492 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.719 4.358 0.515 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.466 3.380 -0.284 1.00 0.00 H new ATOM 583 N ASP A 45 -4.248 7.260 -1.990 1.00 0.00 N ATOM 584 CA ASP A 45 -3.187 8.217 -2.256 1.00 0.00 C ATOM 585 C ASP A 45 -2.151 8.147 -1.132 1.00 0.00 C ATOM 586 O ASP A 45 -1.797 9.169 -0.545 1.00 0.00 O ATOM 587 CB ASP A 45 -3.733 9.645 -2.307 1.00 0.00 C ATOM 588 CG ASP A 45 -4.327 10.062 -3.654 1.00 0.00 C ATOM 589 OD1 ASP A 45 -3.658 9.798 -4.676 1.00 0.00 O ATOM 590 OD2 ASP A 45 -5.438 10.635 -3.632 1.00 0.00 O ATOM 0 H ASP A 45 -4.556 6.728 -2.804 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.741 7.967 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.500 9.752 -1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.928 10.335 -2.052 1.00 0.00 H new ATOM 594 N GLY A 46 -1.693 6.932 -0.867 1.00 0.00 N ATOM 595 CA GLY A 46 -0.704 6.717 0.176 1.00 0.00 C ATOM 596 C GLY A 46 -1.291 7.014 1.558 1.00 0.00 C ATOM 597 O GLY A 46 -1.166 8.129 2.062 1.00 0.00 O ATOM 0 H GLY A 46 -1.988 6.087 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.351 5.686 0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.161 7.356 -0.001 1.00 0.00 H new ATOM 601 N ASP A 47 -1.918 5.997 2.130 1.00 0.00 N ATOM 602 CA ASP A 47 -2.524 6.136 3.444 1.00 0.00 C ATOM 603 C ASP A 47 -2.642 4.756 4.094 1.00 0.00 C ATOM 604 O ASP A 47 -3.618 4.042 3.870 1.00 0.00 O ATOM 605 CB ASP A 47 -3.929 6.732 3.342 1.00 0.00 C ATOM 606 CG ASP A 47 -4.171 7.968 4.212 1.00 0.00 C ATOM 607 OD1 ASP A 47 -3.195 8.722 4.410 1.00 0.00 O ATOM 608 OD2 ASP A 47 -5.328 8.129 4.657 1.00 0.00 O ATOM 0 H ASP A 47 -2.020 5.074 1.708 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.894 6.798 4.038 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.121 6.995 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.654 5.965 3.616 1.00 0.00 H new ATOM 612 N THR A 48 -1.634 4.422 4.887 1.00 0.00 N ATOM 613 CA THR A 48 -1.612 3.141 5.571 1.00 0.00 C ATOM 614 C THR A 48 -2.968 2.862 6.225 1.00 0.00 C ATOM 615 O THR A 48 -3.656 1.912 5.854 1.00 0.00 O ATOM 616 CB THR A 48 -0.450 3.155 6.567 1.00 0.00 C ATOM 617 OG1 THR A 48 -0.780 4.206 7.470 1.00 0.00 O ATOM 618 CG2 THR A 48 0.863 3.612 5.927 1.00 0.00 C ATOM 0 H THR A 48 -0.826 5.017 5.071 1.00 0.00 H new ATOM 0 HA THR A 48 -1.449 2.322 4.870 1.00 0.00 H new ATOM 0 HB THR A 48 -0.321 2.158 6.989 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.080 4.284 8.151 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.655 3.604 6.676 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.126 2.936 5.114 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.744 4.622 5.535 1.00 0.00 H new ATOM 626 N ASN A 49 -3.311 3.708 7.184 1.00 0.00 N ATOM 627 CA ASN A 49 -4.572 3.565 7.893 1.00 0.00 C ATOM 628 C ASN A 49 -5.670 3.182 6.898 1.00 0.00 C ATOM 629 O ASN A 49 -6.203 2.075 6.951 1.00 0.00 O ATOM 630 CB ASN A 49 -4.979 4.878 8.564 1.00 0.00 C ATOM 631 CG ASN A 49 -5.505 4.631 9.980 1.00 0.00 C ATOM 632 OD1 ASN A 49 -6.361 3.794 10.213 1.00 0.00 O ATOM 633 ND2 ASN A 49 -4.945 5.403 10.907 1.00 0.00 N ATOM 0 H ASN A 49 -2.738 4.495 7.487 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.446 2.795 8.655 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.123 5.551 8.603 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.746 5.372 7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.227 5.314 11.883 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.233 6.084 10.642 1.00 0.00 H new ATOM 639 N ALA A 50 -5.976 4.121 6.014 1.00 0.00 N ATOM 640 CA ALA A 50 -7.001 3.896 5.008 1.00 0.00 C ATOM 641 C ALA A 50 -6.772 2.535 4.348 1.00 0.00 C ATOM 642 O ALA A 50 -7.656 1.681 4.356 1.00 0.00 O ATOM 643 CB ALA A 50 -6.985 5.045 3.998 1.00 0.00 C ATOM 0 H ALA A 50 -5.532 5.039 5.973 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.990 3.878 5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.753 4.877 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.182 5.985 4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.008 5.093 3.517 1.00 0.00 H new ATOM 649 N ALA A 51 -5.580 2.376 3.793 1.00 0.00 N ATOM 650 CA ALA A 51 -5.223 1.134 3.129 1.00 0.00 C ATOM 651 C ALA A 51 -5.623 -0.047 4.018 1.00 0.00 C ATOM 652 O ALA A 51 -6.375 -0.921 3.592 1.00 0.00 O ATOM 653 CB ALA A 51 -3.728 1.138 2.804 1.00 0.00 C ATOM 0 H ALA A 51 -4.849 3.087 3.789 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.761 1.035 2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.461 0.206 2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.501 1.978 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.155 1.233 3.727 1.00 0.00 H new ATOM 659 N ILE A 52 -5.102 -0.032 5.235 1.00 0.00 N ATOM 660 CA ILE A 52 -5.395 -1.091 6.187 1.00 0.00 C ATOM 661 C ILE A 52 -6.911 -1.215 6.354 1.00 0.00 C ATOM 662 O ILE A 52 -7.493 -2.246 6.022 1.00 0.00 O ATOM 663 CB ILE A 52 -4.648 -0.851 7.501 1.00 0.00 C ATOM 664 CG1 ILE A 52 -3.134 -0.890 7.287 1.00 0.00 C ATOM 665 CG2 ILE A 52 -5.101 -1.841 8.577 1.00 0.00 C ATOM 666 CD1 ILE A 52 -2.464 0.349 7.883 1.00 0.00 C ATOM 0 H ILE A 52 -4.479 0.696 5.585 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.036 -2.050 5.814 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.896 0.149 7.857 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.721 -1.788 7.747 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.915 -0.949 6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.555 -1.649 9.501 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.170 -1.721 8.755 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.901 -2.859 8.242 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.388 0.296 7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.862 1.244 7.404 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.664 0.391 8.954 1.00 0.00 H new ATOM 677 N TYR A 53 -7.507 -0.149 6.869 1.00 0.00 N ATOM 678 CA TYR A 53 -8.943 -0.126 7.085 1.00 0.00 C ATOM 679 C TYR A 53 -9.679 -0.851 5.956 1.00 0.00 C ATOM 680 O TYR A 53 -10.583 -1.645 6.209 1.00 0.00 O ATOM 681 CB TYR A 53 -9.347 1.350 7.074 1.00 0.00 C ATOM 682 CG TYR A 53 -9.981 1.831 8.381 1.00 0.00 C ATOM 683 CD1 TYR A 53 -11.016 1.117 8.949 1.00 0.00 C ATOM 684 CD2 TYR A 53 -9.518 2.978 8.991 1.00 0.00 C ATOM 685 CE1 TYR A 53 -11.614 1.569 10.178 1.00 0.00 C ATOM 686 CE2 TYR A 53 -10.115 3.431 10.221 1.00 0.00 C ATOM 687 CZ TYR A 53 -11.133 2.703 10.754 1.00 0.00 C ATOM 688 OH TYR A 53 -11.697 3.131 11.916 1.00 0.00 O ATOM 0 H TYR A 53 -7.021 0.705 7.143 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.198 -0.623 8.021 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.465 1.956 6.865 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.050 1.518 6.258 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.378 0.218 8.471 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.708 3.537 8.546 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.426 1.020 10.632 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.763 4.328 10.709 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.252 3.952 12.213 1.00 0.00 H new ATOM 697 N LYS A 54 -9.262 -0.554 4.734 1.00 0.00 N ATOM 698 CA LYS A 54 -9.870 -1.168 3.565 1.00 0.00 C ATOM 699 C LYS A 54 -9.539 -2.661 3.550 1.00 0.00 C ATOM 700 O LYS A 54 -10.437 -3.500 3.591 1.00 0.00 O ATOM 701 CB LYS A 54 -9.449 -0.431 2.293 1.00 0.00 C ATOM 702 CG LYS A 54 -10.400 0.728 1.989 1.00 0.00 C ATOM 703 CD LYS A 54 -10.258 1.188 0.537 1.00 0.00 C ATOM 704 CE LYS A 54 -10.838 2.591 0.347 1.00 0.00 C ATOM 705 NZ LYS A 54 -11.859 2.589 -0.724 1.00 0.00 N ATOM 0 H LYS A 54 -8.510 0.104 4.528 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.956 -1.082 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.433 -0.052 2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.437 -1.126 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.428 0.418 2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.190 1.561 2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.206 1.184 0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.770 0.487 -0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.282 2.937 1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.040 3.290 0.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.242 3.549 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.425 2.279 -1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.628 1.937 -0.469 1.00 0.00 H new ATOM 715 N LEU A 55 -8.247 -2.948 3.490 1.00 0.00 N ATOM 716 CA LEU A 55 -7.787 -4.326 3.469 1.00 0.00 C ATOM 717 C LEU A 55 -8.538 -5.127 4.533 1.00 0.00 C ATOM 718 O LEU A 55 -9.236 -6.090 4.214 1.00 0.00 O ATOM 719 CB LEU A 55 -6.265 -4.385 3.615 1.00 0.00 C ATOM 720 CG LEU A 55 -5.458 -3.713 2.502 1.00 0.00 C ATOM 721 CD1 LEU A 55 -4.017 -3.457 2.949 1.00 0.00 C ATOM 722 CD2 LEU A 55 -5.521 -4.527 1.209 1.00 0.00 C ATOM 0 H LEU A 55 -7.504 -2.250 3.455 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.010 -4.787 2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.993 -3.923 4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.966 -5.432 3.673 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.908 -2.743 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.465 -2.979 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.017 -2.805 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.541 -4.404 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.939 -4.026 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.111 -5.522 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.558 -4.614 0.884 1.00 0.00 H new ATOM 733 N LYS A 56 -8.371 -4.701 5.777 1.00 0.00 N ATOM 734 CA LYS A 56 -9.025 -5.367 6.891 1.00 0.00 C ATOM 735 C LYS A 56 -10.473 -5.686 6.510 1.00 0.00 C ATOM 736 O LYS A 56 -10.865 -6.851 6.468 1.00 0.00 O ATOM 737 CB LYS A 56 -8.894 -4.531 8.165 1.00 0.00 C ATOM 738 CG LYS A 56 -7.514 -4.714 8.801 1.00 0.00 C ATOM 739 CD LYS A 56 -7.627 -5.366 10.180 1.00 0.00 C ATOM 740 CE LYS A 56 -7.537 -4.318 11.291 1.00 0.00 C ATOM 741 NZ LYS A 56 -8.730 -3.441 11.275 1.00 0.00 N ATOM 0 H LYS A 56 -7.792 -3.903 6.038 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.536 -6.317 7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.054 -3.478 7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.668 -4.821 8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.890 -5.330 8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.020 -3.746 8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.573 -5.902 10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.833 -6.102 10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.455 -4.812 12.259 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.636 -3.719 11.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.653 -2.736 12.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.792 -2.956 10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.585 -4.015 11.421 1.00 0.00 H new ATOM 751 N SER A 57 -11.226 -4.630 6.242 1.00 0.00 N ATOM 752 CA SER A 57 -12.622 -4.782 5.866 1.00 0.00 C ATOM 753 C SER A 57 -12.754 -5.836 4.764 1.00 0.00 C ATOM 754 O SER A 57 -13.452 -6.834 4.936 1.00 0.00 O ATOM 755 CB SER A 57 -13.216 -3.452 5.402 1.00 0.00 C ATOM 756 OG SER A 57 -14.544 -3.264 5.883 1.00 0.00 O ATOM 0 H SER A 57 -10.896 -3.665 6.278 1.00 0.00 H new ATOM 0 HA SER A 57 -13.179 -5.110 6.744 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.586 -2.633 5.748 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.216 -3.415 4.313 1.00 0.00 H new ATOM 0 HG SER A 57 -14.888 -2.403 5.567 1.00 0.00 H new ATOM 761 N SER A 58 -12.074 -5.576 3.657 1.00 0.00 N ATOM 762 CA SER A 58 -12.108 -6.490 2.527 1.00 0.00 C ATOM 763 C SER A 58 -11.691 -7.892 2.976 1.00 0.00 C ATOM 764 O SER A 58 -11.172 -8.068 4.077 1.00 0.00 O ATOM 765 CB SER A 58 -11.198 -6.002 1.397 1.00 0.00 C ATOM 766 OG SER A 58 -11.772 -6.233 0.114 1.00 0.00 O ATOM 0 H SER A 58 -11.497 -4.747 3.518 1.00 0.00 H new ATOM 0 HA SER A 58 -13.129 -6.526 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.005 -4.937 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.236 -6.510 1.461 1.00 0.00 H new ATOM 0 HG SER A 58 -11.163 -5.907 -0.581 1.00 0.00 H new ATOM 771 N GLN A 59 -11.934 -8.856 2.099 1.00 0.00 N ATOM 772 CA GLN A 59 -11.591 -10.237 2.391 1.00 0.00 C ATOM 773 C GLN A 59 -10.157 -10.533 1.944 1.00 0.00 C ATOM 774 O GLN A 59 -9.528 -9.712 1.279 1.00 0.00 O ATOM 775 CB GLN A 59 -12.580 -11.199 1.730 1.00 0.00 C ATOM 776 CG GLN A 59 -13.103 -12.225 2.737 1.00 0.00 C ATOM 777 CD GLN A 59 -12.402 -13.573 2.560 1.00 0.00 C ATOM 778 OE1 GLN A 59 -11.476 -13.723 1.779 1.00 0.00 O ATOM 779 NE2 GLN A 59 -12.893 -14.544 3.326 1.00 0.00 N ATOM 0 H GLN A 59 -12.364 -8.707 1.186 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.654 -10.387 3.469 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.415 -10.637 1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.094 -11.713 0.901 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -12.944 -11.859 3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -14.178 -12.350 2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -13.670 -14.351 3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.493 -15.481 3.281 1.00 0.00 H new ATOM 786 N GLY A 60 -9.682 -11.708 2.330 1.00 0.00 N ATOM 787 CA GLY A 60 -8.335 -12.123 1.979 1.00 0.00 C ATOM 788 C GLY A 60 -7.969 -13.439 2.668 1.00 0.00 C ATOM 789 O GLY A 60 -8.593 -14.469 2.419 1.00 0.00 O ATOM 0 H GLY A 60 -10.207 -12.386 2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.257 -12.240 0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.625 -11.348 2.267 1.00 0.00 H new ATOM 793 N PHE A 61 -6.957 -13.362 3.521 1.00 0.00 N ATOM 794 CA PHE A 61 -6.501 -14.535 4.247 1.00 0.00 C ATOM 795 C PHE A 61 -7.592 -15.059 5.183 1.00 0.00 C ATOM 796 O PHE A 61 -7.993 -14.372 6.122 1.00 0.00 O ATOM 797 CB PHE A 61 -5.294 -14.102 5.083 1.00 0.00 C ATOM 798 CG PHE A 61 -4.280 -15.219 5.336 1.00 0.00 C ATOM 799 CD1 PHE A 61 -3.670 -15.834 4.289 1.00 0.00 C ATOM 800 CD2 PHE A 61 -3.989 -15.596 6.610 1.00 0.00 C ATOM 801 CE1 PHE A 61 -2.728 -16.871 4.525 1.00 0.00 C ATOM 802 CE2 PHE A 61 -3.048 -16.632 6.846 1.00 0.00 C ATOM 803 CZ PHE A 61 -2.437 -17.248 5.798 1.00 0.00 C ATOM 0 H PHE A 61 -6.441 -12.506 3.725 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.247 -15.331 3.547 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.792 -13.277 4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.647 -13.721 6.042 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.901 -15.534 3.277 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.474 -15.107 7.442 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.243 -17.360 3.693 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.817 -16.931 7.858 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.721 -18.036 5.978 1.00 0.00 H new ATOM 812 N SER A 62 -8.042 -16.272 4.895 1.00 0.00 N ATOM 813 CA SER A 62 -9.078 -16.896 5.699 1.00 0.00 C ATOM 814 C SER A 62 -8.823 -16.627 7.183 1.00 0.00 C ATOM 815 O SER A 62 -7.729 -16.882 7.685 1.00 0.00 O ATOM 816 CB SER A 62 -9.147 -18.402 5.437 1.00 0.00 C ATOM 817 OG SER A 62 -9.829 -18.702 4.222 1.00 0.00 O ATOM 0 H SER A 62 -7.708 -16.839 4.116 1.00 0.00 H new ATOM 0 HA SER A 62 -10.037 -16.461 5.417 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.137 -18.809 5.396 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.655 -18.892 6.268 1.00 0.00 H new ATOM 0 HG SER A 62 -9.850 -19.673 4.090 1.00 0.00 H new ATOM 822 N GLY A 63 -9.851 -16.115 7.845 1.00 0.00 N ATOM 823 CA GLY A 63 -9.752 -15.809 9.262 1.00 0.00 C ATOM 824 C GLY A 63 -8.980 -16.901 10.005 1.00 0.00 C ATOM 825 O GLY A 63 -9.534 -17.953 10.319 1.00 0.00 O ATOM 0 H GLY A 63 -10.757 -15.904 7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.253 -14.850 9.397 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.751 -15.711 9.687 1.00 0.00 H new ATOM 829 N PRO A 64 -7.680 -16.604 10.276 1.00 0.00 N ATOM 830 CA PRO A 64 -6.827 -17.548 10.977 1.00 0.00 C ATOM 831 C PRO A 64 -7.165 -17.587 12.469 1.00 0.00 C ATOM 832 O PRO A 64 -6.360 -17.171 13.302 1.00 0.00 O ATOM 833 CB PRO A 64 -5.409 -17.078 10.700 1.00 0.00 C ATOM 834 CG PRO A 64 -5.531 -15.633 10.247 1.00 0.00 C ATOM 835 CD PRO A 64 -6.992 -15.367 9.921 1.00 0.00 C ATOM 0 HA PRO A 64 -6.965 -18.574 10.636 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.790 -17.156 11.594 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.938 -17.690 9.931 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.186 -14.957 11.030 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.906 -15.453 9.372 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.378 -14.522 10.491 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.126 -15.128 8.866 1.00 0.00 H new ATOM 840 N SER A 65 -8.355 -18.091 12.762 1.00 0.00 N ATOM 841 CA SER A 65 -8.807 -18.188 14.139 1.00 0.00 C ATOM 842 C SER A 65 -8.676 -16.831 14.832 1.00 0.00 C ATOM 843 O SER A 65 -7.650 -16.540 15.445 1.00 0.00 O ATOM 844 CB SER A 65 -8.018 -19.253 14.903 1.00 0.00 C ATOM 845 OG SER A 65 -8.215 -20.556 14.362 1.00 0.00 O ATOM 0 H SER A 65 -9.019 -18.436 12.069 1.00 0.00 H new ATOM 0 HA SER A 65 -9.856 -18.484 14.134 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.957 -19.006 14.876 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.320 -19.246 15.950 1.00 0.00 H new ATOM 0 HG SER A 65 -7.693 -21.206 14.877 1.00 0.00 H new ATOM 850 N SER A 66 -9.729 -16.036 14.710 1.00 0.00 N ATOM 851 CA SER A 66 -9.744 -14.716 15.317 1.00 0.00 C ATOM 852 C SER A 66 -9.202 -14.790 16.745 1.00 0.00 C ATOM 853 O SER A 66 -9.795 -15.440 17.605 1.00 0.00 O ATOM 854 CB SER A 66 -11.156 -14.124 15.315 1.00 0.00 C ATOM 855 OG SER A 66 -11.952 -14.643 16.378 1.00 0.00 O ATOM 0 H SER A 66 -10.578 -16.281 14.200 1.00 0.00 H new ATOM 0 HA SER A 66 -9.104 -14.061 14.726 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.095 -13.039 15.403 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.639 -14.339 14.362 1.00 0.00 H new ATOM 0 HG SER A 66 -11.424 -15.283 16.900 1.00 0.00 H new ATOM 860 N GLY A 67 -8.081 -14.115 16.954 1.00 0.00 N ATOM 861 CA GLY A 67 -7.451 -14.097 18.264 1.00 0.00 C ATOM 862 C GLY A 67 -6.900 -12.707 18.587 1.00 0.00 C ATOM 863 O GLY A 67 -6.041 -12.194 17.870 1.00 0.00 O ATOM 0 H GLY A 67 -7.593 -13.577 16.238 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.175 -14.391 19.024 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.643 -14.828 18.293 1.00 0.00 H new TER 867 GLY A 67