USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 674 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+ -102:sc= 0.0346 (180deg=0) USER MOD Single : A 2 SER OG : rot 44:sc= 0.348 USER MOD Single : A 3 HIS :FLIP no HD1:sc= 0.0225 F(o=-0.77,f=0.023) USER MOD Single : A 4 MET CE :methyl 166:sc= -0.0633 (180deg=-0.391) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= -0.376 (180deg=-1.5!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.27 K(o=-0.27,f=-1.5!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -157:sc= -0.0162 (180deg=-0.231) USER MOD Single : A 42 MET CE :methyl -105:sc= -0.249 (180deg=-2.35!) USER MOD Single : A 47 GLN : amide:sc= -0.0325 X(o=-0.032,f=0) USER MOD Single : A 48 THR OG1 : rot 91:sc= 0.0497 USER MOD Single : A 54 LYS NZ :NH3+ -137:sc= -0.249 (180deg=-2.25!) USER MOD Single : A 56 ASN : amide:sc= -2.61! C(o=-2.6!,f=-4.2!) USER MOD Single : A 58 THR OG1 : rot -86:sc= -0.0192 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.778 K(o=-0.78,f=-2.3) USER MOD Single : A 63 SER OG : rot 37:sc= -1.98 USER MOD Single : A 64 ASN : amide:sc= 0.0524 K(o=0.052,f=-3.8!) USER MOD Single : A 65 HIS : no HD1:sc= -0.149 K(o=-0.15,f=-4.4!) USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= -0.203 (180deg=-0.616) USER MOD Single : A 73 LYS NZ :NH3+ -148:sc= -0.399 (180deg=-1.34!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 171:sc= -0.539 USER MOD Single : A 83 GLN : amide:sc= -0.465 K(o=-0.46,f=-2.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.128 22.238 -12.584 1.00 0.00 N ATOM 2 CA GLY A 1 10.589 22.446 -11.184 1.00 0.00 C ATOM 3 C GLY A 1 10.438 21.201 -10.331 1.00 0.00 C ATOM 4 O GLY A 1 9.603 20.343 -10.617 1.00 0.00 O ATOM 0 H1 GLY A 1 10.952 22.104 -13.205 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.521 21.395 -12.628 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.589 23.070 -12.899 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.635 22.753 -11.191 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.021 23.261 -10.735 1.00 0.00 H new ATOM 10 N SER A 2 11.248 21.102 -9.281 1.00 0.00 N ATOM 11 CA SER A 2 11.206 19.955 -8.379 1.00 0.00 C ATOM 12 C SER A 2 11.257 18.640 -9.154 1.00 0.00 C ATOM 13 O SER A 2 10.220 18.076 -9.503 1.00 0.00 O ATOM 14 CB SER A 2 9.946 20.003 -7.513 1.00 0.00 C ATOM 15 OG SER A 2 8.822 20.420 -8.269 1.00 0.00 O ATOM 0 H SER A 2 11.944 21.805 -9.033 1.00 0.00 H new ATOM 0 HA SER A 2 12.084 20.006 -7.735 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.756 19.018 -7.087 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.101 20.687 -6.678 1.00 0.00 H new ATOM 0 HG SER A 2 8.818 19.957 -9.133 1.00 0.00 H new ATOM 21 N HIS A 3 12.466 18.160 -9.417 1.00 0.00 N ATOM 22 CA HIS A 3 12.652 16.911 -10.149 1.00 0.00 C ATOM 23 C HIS A 3 13.491 15.927 -9.340 1.00 0.00 C ATOM 24 O HIS A 3 14.385 16.324 -8.596 1.00 0.00 O ATOM 25 CB HIS A 3 13.321 17.180 -11.499 1.00 0.00 C ATOM 26 CG HIS A 3 14.655 17.847 -11.381 1.00 0.00 C ATOM 27 ND1 HIS A 3 15.005 19.045 -10.852 1.00 0.00 N flip ATOM 28 CD2 HIS A 3 15.825 17.279 -11.841 1.00 0.00 C flip ATOM 29 CE1 HIS A 3 16.364 19.173 -10.999 1.00 0.00 C flip ATOM 30 NE2 HIS A 3 16.835 18.095 -11.597 1.00 0.00 N flip ATOM 0 H HIS A 3 13.334 18.616 -9.135 1.00 0.00 H new ATOM 0 HA HIS A 3 11.670 16.470 -10.320 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.441 16.236 -12.031 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.663 17.805 -12.104 1.00 0.00 H new ATOM 0 HD2 HIS A 3 15.903 16.317 -12.325 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.953 20.019 -10.677 1.00 0.00 H new ATOM 0 HE2 HIS A 3 17.812 17.921 -11.831 1.00 0.00 H new ATOM 39 N MET A 4 13.193 14.640 -9.492 1.00 0.00 N ATOM 40 CA MET A 4 13.922 13.599 -8.773 1.00 0.00 C ATOM 41 C MET A 4 13.783 13.783 -7.265 1.00 0.00 C ATOM 42 O MET A 4 14.689 14.290 -6.605 1.00 0.00 O ATOM 43 CB MET A 4 15.399 13.618 -9.167 1.00 0.00 C ATOM 44 CG MET A 4 15.729 12.709 -10.340 1.00 0.00 C ATOM 45 SD MET A 4 17.393 12.974 -10.980 1.00 0.00 S ATOM 46 CE MET A 4 18.375 12.645 -9.517 1.00 0.00 C ATOM 0 H MET A 4 12.455 14.293 -10.104 1.00 0.00 H new ATOM 0 HA MET A 4 13.494 12.634 -9.045 1.00 0.00 H new ATOM 0 HB2 MET A 4 15.686 14.639 -9.418 1.00 0.00 H new ATOM 0 HB3 MET A 4 15.999 13.320 -8.307 1.00 0.00 H new ATOM 0 HG2 MET A 4 15.625 11.669 -10.029 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.006 12.876 -11.139 1.00 0.00 H new ATOM 0 HE1 MET A 4 19.420 12.523 -9.800 1.00 0.00 H new ATOM 0 HE2 MET A 4 18.283 13.479 -8.822 1.00 0.00 H new ATOM 0 HE3 MET A 4 18.020 11.733 -9.038 1.00 0.00 H new ATOM 56 N GLY A 5 12.642 13.363 -6.726 1.00 0.00 N ATOM 57 CA GLY A 5 12.407 13.488 -5.300 1.00 0.00 C ATOM 58 C GLY A 5 11.227 12.660 -4.831 1.00 0.00 C ATOM 59 O GLY A 5 11.330 11.917 -3.855 1.00 0.00 O ATOM 0 H GLY A 5 11.877 12.939 -7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 5 13.301 13.179 -4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.232 14.535 -5.054 1.00 0.00 H new ATOM 63 N LEU A 6 10.103 12.786 -5.530 1.00 0.00 N ATOM 64 CA LEU A 6 8.899 12.043 -5.179 1.00 0.00 C ATOM 65 C LEU A 6 8.485 11.112 -6.314 1.00 0.00 C ATOM 66 O LEU A 6 7.948 11.555 -7.330 1.00 0.00 O ATOM 67 CB LEU A 6 7.755 13.009 -4.855 1.00 0.00 C ATOM 68 CG LEU A 6 7.842 13.673 -3.479 1.00 0.00 C ATOM 69 CD1 LEU A 6 7.051 14.971 -3.466 1.00 0.00 C ATOM 70 CD2 LEU A 6 7.340 12.729 -2.399 1.00 0.00 C ATOM 0 H LEU A 6 10.002 13.395 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 6 9.118 11.440 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.730 13.788 -5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.812 12.467 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 6 8.887 13.905 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.123 15.431 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.456 15.652 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.006 14.762 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.409 13.218 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.301 12.466 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.949 11.825 -2.394 1.00 0.00 H new ATOM 82 N VAL A 7 8.738 9.820 -6.134 1.00 0.00 N ATOM 83 CA VAL A 7 8.393 8.826 -7.142 1.00 0.00 C ATOM 84 C VAL A 7 7.151 8.040 -6.736 1.00 0.00 C ATOM 85 O VAL A 7 6.910 7.807 -5.551 1.00 0.00 O ATOM 86 CB VAL A 7 9.553 7.841 -7.382 1.00 0.00 C ATOM 87 CG1 VAL A 7 9.253 6.942 -8.572 1.00 0.00 C ATOM 88 CG2 VAL A 7 10.858 8.594 -7.588 1.00 0.00 C ATOM 0 H VAL A 7 9.181 9.437 -5.299 1.00 0.00 H new ATOM 0 HA VAL A 7 8.191 9.370 -8.065 1.00 0.00 H new ATOM 0 HB VAL A 7 9.660 7.211 -6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.084 6.253 -8.726 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.342 6.375 -8.379 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.118 7.553 -9.465 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.666 7.882 -7.756 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.767 9.250 -8.453 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.078 9.190 -6.702 1.00 0.00 H new ATOM 98 N GLN A 8 6.365 7.634 -7.727 1.00 0.00 N ATOM 99 CA GLN A 8 5.147 6.872 -7.473 1.00 0.00 C ATOM 100 C GLN A 8 5.111 5.606 -8.323 1.00 0.00 C ATOM 101 O GLN A 8 5.556 5.604 -9.471 1.00 0.00 O ATOM 102 CB GLN A 8 3.915 7.731 -7.763 1.00 0.00 C ATOM 103 CG GLN A 8 3.890 8.303 -9.171 1.00 0.00 C ATOM 104 CD GLN A 8 3.233 9.670 -9.232 1.00 0.00 C ATOM 105 OE1 GLN A 8 3.834 10.638 -9.694 1.00 0.00 O ATOM 106 NE2 GLN A 8 1.992 9.751 -8.766 1.00 0.00 N ATOM 0 H GLN A 8 6.549 7.819 -8.713 1.00 0.00 H new ATOM 0 HA GLN A 8 5.140 6.582 -6.422 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.019 7.130 -7.608 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.877 8.551 -7.046 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.910 8.377 -9.548 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.356 7.617 -9.829 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.533 8.921 -8.392 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.498 10.643 -8.782 1.00 0.00 H new ATOM 115 N ARG A 9 4.577 4.532 -7.751 1.00 0.00 N ATOM 116 CA ARG A 9 4.483 3.259 -8.457 1.00 0.00 C ATOM 117 C ARG A 9 3.190 2.532 -8.098 1.00 0.00 C ATOM 118 O ARG A 9 2.765 2.538 -6.944 1.00 0.00 O ATOM 119 CB ARG A 9 5.687 2.377 -8.125 1.00 0.00 C ATOM 120 CG ARG A 9 6.098 1.454 -9.259 1.00 0.00 C ATOM 121 CD ARG A 9 7.034 2.149 -10.235 1.00 0.00 C ATOM 122 NE ARG A 9 7.098 1.459 -11.519 1.00 0.00 N ATOM 123 CZ ARG A 9 8.064 1.649 -12.416 1.00 0.00 C ATOM 124 NH1 ARG A 9 9.045 2.510 -12.173 1.00 0.00 N ATOM 125 NH2 ARG A 9 8.047 0.979 -13.561 1.00 0.00 N ATOM 0 H ARG A 9 4.203 4.517 -6.802 1.00 0.00 H new ATOM 0 HA ARG A 9 4.478 3.465 -9.527 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.532 3.014 -7.862 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.455 1.777 -7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.588 0.570 -8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.210 1.109 -9.789 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.698 3.174 -10.391 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.033 2.203 -9.803 1.00 0.00 H new ATOM 0 HE ARG A 9 6.360 0.792 -11.743 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.062 3.030 -11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.782 2.651 -12.864 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.294 0.318 -13.754 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.787 1.124 -14.248 1.00 0.00 H new ATOM 139 N CYS A 10 2.573 1.905 -9.094 1.00 0.00 N ATOM 140 CA CYS A 10 1.330 1.174 -8.883 1.00 0.00 C ATOM 141 C CYS A 10 1.602 -0.193 -8.262 1.00 0.00 C ATOM 142 O CYS A 10 2.428 -0.959 -8.760 1.00 0.00 O ATOM 143 CB CYS A 10 0.579 1.010 -10.208 1.00 0.00 C ATOM 144 SG CYS A 10 -1.126 1.611 -10.167 1.00 0.00 S ATOM 0 H CYS A 10 2.914 1.889 -10.055 1.00 0.00 H new ATOM 0 HA CYS A 10 0.711 1.748 -8.193 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.122 1.541 -10.990 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.575 -0.045 -10.483 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.677 1.432 -11.331 1.00 0.00 H new ATOM 150 N VAL A 11 0.901 -0.494 -7.174 1.00 0.00 N ATOM 151 CA VAL A 11 1.066 -1.769 -6.485 1.00 0.00 C ATOM 152 C VAL A 11 -0.275 -2.479 -6.320 1.00 0.00 C ATOM 153 O VAL A 11 -1.160 -1.999 -5.611 1.00 0.00 O ATOM 154 CB VAL A 11 1.716 -1.578 -5.100 1.00 0.00 C ATOM 155 CG1 VAL A 11 0.830 -0.727 -4.202 1.00 0.00 C ATOM 156 CG2 VAL A 11 2.007 -2.925 -4.454 1.00 0.00 C ATOM 0 H VAL A 11 0.213 0.128 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 11 1.723 -2.383 -7.101 1.00 0.00 H new ATOM 0 HB VAL A 11 2.662 -1.054 -5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.308 -0.605 -3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.682 0.251 -4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.135 -1.217 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.465 -2.769 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.076 -3.479 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.688 -3.493 -5.088 1.00 0.00 H new ATOM 166 N ILE A 12 -0.416 -3.625 -6.977 1.00 0.00 N ATOM 167 CA ILE A 12 -1.648 -4.401 -6.903 1.00 0.00 C ATOM 168 C ILE A 12 -1.499 -5.576 -5.942 1.00 0.00 C ATOM 169 O ILE A 12 -0.717 -6.495 -6.187 1.00 0.00 O ATOM 170 CB ILE A 12 -2.061 -4.934 -8.289 1.00 0.00 C ATOM 171 CG1 ILE A 12 -2.046 -3.804 -9.323 1.00 0.00 C ATOM 172 CG2 ILE A 12 -3.437 -5.579 -8.219 1.00 0.00 C ATOM 173 CD1 ILE A 12 -1.325 -4.166 -10.602 1.00 0.00 C ATOM 0 H ILE A 12 0.307 -4.037 -7.567 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.424 -3.730 -6.535 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.341 -5.691 -8.599 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.073 -3.526 -9.560 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.572 -2.927 -8.884 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.715 -5.951 -9.205 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.415 -6.408 -7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.168 -4.841 -7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.354 -3.319 -11.288 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.288 -4.416 -10.377 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.813 -5.024 -11.064 1.00 0.00 H new ATOM 185 N ILE A 13 -2.252 -5.540 -4.849 1.00 0.00 N ATOM 186 CA ILE A 13 -2.203 -6.601 -3.851 1.00 0.00 C ATOM 187 C ILE A 13 -3.344 -7.593 -4.047 1.00 0.00 C ATOM 188 O ILE A 13 -4.449 -7.217 -4.441 1.00 0.00 O ATOM 189 CB ILE A 13 -2.274 -6.034 -2.419 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.249 -4.911 -2.240 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.041 -7.137 -1.399 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.640 -3.901 -1.183 1.00 0.00 C ATOM 0 H ILE A 13 -2.904 -4.787 -4.631 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.250 -7.113 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.270 -5.622 -2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.286 -5.347 -1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.115 -4.396 -3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.094 -6.720 -0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.805 -7.906 -1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.056 -7.577 -1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.869 -3.134 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.588 -3.437 -1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.745 -4.403 -0.221 1.00 0.00 H new ATOM 204 N GLN A 14 -3.069 -8.864 -3.771 1.00 0.00 N ATOM 205 CA GLN A 14 -4.073 -9.913 -3.916 1.00 0.00 C ATOM 206 C GLN A 14 -4.415 -10.526 -2.562 1.00 0.00 C ATOM 207 O GLN A 14 -3.532 -10.970 -1.829 1.00 0.00 O ATOM 208 CB GLN A 14 -3.570 -10.999 -4.869 1.00 0.00 C ATOM 209 CG GLN A 14 -2.343 -11.736 -4.358 1.00 0.00 C ATOM 210 CD GLN A 14 -1.389 -12.122 -5.473 1.00 0.00 C ATOM 211 OE1 GLN A 14 -1.581 -13.132 -6.147 1.00 0.00 O ATOM 212 NE2 GLN A 14 -0.353 -11.314 -5.670 1.00 0.00 N ATOM 0 H GLN A 14 -2.160 -9.193 -3.446 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.976 -9.465 -4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.370 -11.719 -5.041 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.336 -10.546 -5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.819 -11.107 -3.638 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.658 -12.634 -3.827 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.234 -10.486 -5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.323 -11.521 -6.405 1.00 0.00 H new ATOM 221 N LYS A 15 -5.704 -10.544 -2.235 1.00 0.00 N ATOM 222 CA LYS A 15 -6.162 -11.103 -0.969 1.00 0.00 C ATOM 223 C LYS A 15 -5.915 -12.607 -0.916 1.00 0.00 C ATOM 224 O LYS A 15 -6.422 -13.359 -1.748 1.00 0.00 O ATOM 225 CB LYS A 15 -7.650 -10.812 -0.766 1.00 0.00 C ATOM 226 CG LYS A 15 -8.184 -11.286 0.577 1.00 0.00 C ATOM 227 CD LYS A 15 -9.596 -11.834 0.454 1.00 0.00 C ATOM 228 CE LYS A 15 -10.369 -11.680 1.754 1.00 0.00 C ATOM 229 NZ LYS A 15 -10.298 -10.290 2.282 1.00 0.00 N ATOM 0 H LYS A 15 -6.448 -10.178 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.594 -10.631 -0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.818 -9.739 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.218 -11.291 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.527 -12.057 0.979 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.175 -10.458 1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.121 -11.313 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.556 -12.887 0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.411 -11.953 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.971 -12.371 2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.135 -10.099 2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.439 -10.181 2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.271 -9.618 1.489 1.00 0.00 H new ATOM 243 N ASP A 16 -5.132 -13.038 0.067 1.00 0.00 N ATOM 244 CA ASP A 16 -4.819 -14.452 0.229 1.00 0.00 C ATOM 245 C ASP A 16 -5.875 -15.149 1.080 1.00 0.00 C ATOM 246 O ASP A 16 -6.898 -14.557 1.424 1.00 0.00 O ATOM 247 CB ASP A 16 -3.439 -14.621 0.868 1.00 0.00 C ATOM 248 CG ASP A 16 -2.357 -13.873 0.114 1.00 0.00 C ATOM 249 OD1 ASP A 16 -2.542 -13.621 -1.095 1.00 0.00 O ATOM 250 OD2 ASP A 16 -1.325 -13.539 0.733 1.00 0.00 O ATOM 0 H ASP A 16 -4.703 -12.428 0.763 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.813 -14.912 -0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.473 -14.265 1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.186 -15.681 0.905 1.00 0.00 H new ATOM 255 N ASP A 17 -5.622 -16.410 1.416 1.00 0.00 N ATOM 256 CA ASP A 17 -6.551 -17.187 2.228 1.00 0.00 C ATOM 257 C ASP A 17 -6.788 -16.517 3.578 1.00 0.00 C ATOM 258 O ASP A 17 -7.860 -16.650 4.168 1.00 0.00 O ATOM 259 CB ASP A 17 -6.018 -18.607 2.432 1.00 0.00 C ATOM 260 CG ASP A 17 -7.050 -19.667 2.102 1.00 0.00 C ATOM 261 OD1 ASP A 17 -7.789 -19.486 1.110 1.00 0.00 O ATOM 262 OD2 ASP A 17 -7.122 -20.675 2.833 1.00 0.00 O ATOM 0 H ASP A 17 -4.781 -16.916 1.138 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.503 -17.238 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.138 -18.755 1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.697 -18.726 3.467 1.00 0.00 H new ATOM 267 N ASN A 18 -5.780 -15.798 4.061 1.00 0.00 N ATOM 268 CA ASN A 18 -5.879 -15.107 5.342 1.00 0.00 C ATOM 269 C ASN A 18 -6.326 -13.661 5.148 1.00 0.00 C ATOM 270 O ASN A 18 -6.985 -13.084 6.014 1.00 0.00 O ATOM 271 CB ASN A 18 -4.534 -15.150 6.072 1.00 0.00 C ATOM 272 CG ASN A 18 -4.611 -15.906 7.384 1.00 0.00 C ATOM 273 OD1 ASN A 18 -5.109 -15.388 8.384 1.00 0.00 O ATOM 274 ND2 ASN A 18 -4.115 -17.138 7.386 1.00 0.00 N ATOM 0 H ASN A 18 -4.886 -15.679 3.585 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.628 -15.618 5.947 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.790 -15.619 5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.194 -14.132 6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.137 -17.695 8.240 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.712 -17.527 6.534 1.00 0.00 H new ATOM 281 N GLY A 19 -5.963 -13.081 4.009 1.00 0.00 N ATOM 282 CA GLY A 19 -6.334 -11.707 3.723 1.00 0.00 C ATOM 283 C GLY A 19 -5.130 -10.797 3.588 1.00 0.00 C ATOM 284 O GLY A 19 -4.009 -11.265 3.381 1.00 0.00 O ATOM 0 H GLY A 19 -5.418 -13.538 3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.915 -11.675 2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.979 -11.335 4.519 1.00 0.00 H new ATOM 288 N PHE A 20 -5.359 -9.493 3.703 1.00 0.00 N ATOM 289 CA PHE A 20 -4.285 -8.514 3.593 1.00 0.00 C ATOM 290 C PHE A 20 -3.493 -8.425 4.893 1.00 0.00 C ATOM 291 O PHE A 20 -3.866 -7.694 5.810 1.00 0.00 O ATOM 292 CB PHE A 20 -4.853 -7.139 3.233 1.00 0.00 C ATOM 293 CG PHE A 20 -5.021 -6.928 1.755 1.00 0.00 C ATOM 294 CD1 PHE A 20 -5.653 -7.881 0.972 1.00 0.00 C ATOM 295 CD2 PHE A 20 -4.544 -5.776 1.149 1.00 0.00 C ATOM 296 CE1 PHE A 20 -5.806 -7.688 -0.387 1.00 0.00 C ATOM 297 CE2 PHE A 20 -4.696 -5.579 -0.211 1.00 0.00 C ATOM 298 CZ PHE A 20 -5.328 -6.536 -0.979 1.00 0.00 C ATOM 0 H PHE A 20 -6.280 -9.090 3.873 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.612 -8.840 2.800 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.819 -7.015 3.722 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.193 -6.367 3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.030 -8.784 1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.048 -5.024 1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.300 -8.438 -0.987 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.321 -4.677 -0.672 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.448 -6.384 -2.041 1.00 0.00 H new ATOM 308 N GLY A 21 -2.399 -9.175 4.966 1.00 0.00 N ATOM 309 CA GLY A 21 -1.572 -9.167 6.158 1.00 0.00 C ATOM 310 C GLY A 21 -0.991 -7.798 6.451 1.00 0.00 C ATOM 311 O GLY A 21 -0.792 -7.437 7.612 1.00 0.00 O ATOM 0 H GLY A 21 -2.070 -9.789 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.166 -9.496 7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.760 -9.885 6.038 1.00 0.00 H new ATOM 315 N LEU A 22 -0.719 -7.034 5.399 1.00 0.00 N ATOM 316 CA LEU A 22 -0.156 -5.696 5.550 1.00 0.00 C ATOM 317 C LEU A 22 -1.086 -4.804 6.367 1.00 0.00 C ATOM 318 O LEU A 22 -2.286 -4.736 6.106 1.00 0.00 O ATOM 319 CB LEU A 22 0.097 -5.068 4.177 1.00 0.00 C ATOM 320 CG LEU A 22 -1.153 -4.857 3.323 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.749 -3.481 3.580 1.00 0.00 C ATOM 322 CD2 LEU A 22 -0.823 -5.029 1.849 1.00 0.00 C ATOM 0 H LEU A 22 -0.879 -7.318 4.432 1.00 0.00 H new ATOM 0 HA LEU A 22 0.792 -5.785 6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.588 -4.105 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.792 -5.702 3.627 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.892 -5.608 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.638 -3.349 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.021 -3.393 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.016 -2.714 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.723 -4.876 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.067 -4.300 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.441 -6.035 1.677 1.00 0.00 H new ATOM 334 N THR A 23 -0.521 -4.122 7.358 1.00 0.00 N ATOM 335 CA THR A 23 -1.300 -3.233 8.213 1.00 0.00 C ATOM 336 C THR A 23 -1.090 -1.776 7.816 1.00 0.00 C ATOM 337 O THR A 23 0.041 -1.331 7.621 1.00 0.00 O ATOM 338 CB THR A 23 -0.912 -3.434 9.679 1.00 0.00 C ATOM 339 OG1 THR A 23 -0.821 -4.814 9.987 1.00 0.00 O ATOM 340 CG2 THR A 23 -1.894 -2.812 10.648 1.00 0.00 C ATOM 0 H THR A 23 0.472 -4.168 7.589 1.00 0.00 H new ATOM 0 HA THR A 23 -2.354 -3.478 8.086 1.00 0.00 H new ATOM 0 HB THR A 23 0.052 -2.938 9.795 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.570 -4.923 10.928 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.560 -2.991 11.670 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.952 -1.739 10.468 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.878 -3.258 10.505 1.00 0.00 H new ATOM 348 N VAL A 24 -2.189 -1.036 7.698 1.00 0.00 N ATOM 349 CA VAL A 24 -2.127 0.372 7.325 1.00 0.00 C ATOM 350 C VAL A 24 -2.660 1.261 8.443 1.00 0.00 C ATOM 351 O VAL A 24 -3.610 0.899 9.137 1.00 0.00 O ATOM 352 CB VAL A 24 -2.928 0.648 6.039 1.00 0.00 C ATOM 353 CG1 VAL A 24 -2.297 -0.063 4.852 1.00 0.00 C ATOM 354 CG2 VAL A 24 -4.378 0.226 6.213 1.00 0.00 C ATOM 0 H VAL A 24 -3.133 -1.389 7.856 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.077 0.606 7.148 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.906 1.720 5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.877 0.144 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.276 0.294 4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.285 -1.137 5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.929 0.429 5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.422 -0.840 6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.824 0.787 7.034 1.00 0.00 H new ATOM 364 N SER A 25 -2.042 2.425 8.611 1.00 0.00 N ATOM 365 CA SER A 25 -2.455 3.367 9.646 1.00 0.00 C ATOM 366 C SER A 25 -2.206 4.806 9.206 1.00 0.00 C ATOM 367 O SER A 25 -1.127 5.136 8.714 1.00 0.00 O ATOM 368 CB SER A 25 -1.707 3.083 10.950 1.00 0.00 C ATOM 369 OG SER A 25 -0.423 2.544 10.696 1.00 0.00 O ATOM 0 H SER A 25 -1.254 2.739 8.045 1.00 0.00 H new ATOM 0 HA SER A 25 -3.525 3.239 9.812 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.611 4.004 11.525 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.283 2.386 11.559 1.00 0.00 H new ATOM 0 HG SER A 25 0.034 2.373 11.546 1.00 0.00 H new ATOM 375 N GLY A 26 -3.211 5.656 9.388 1.00 0.00 N ATOM 376 CA GLY A 26 -3.079 7.050 9.004 1.00 0.00 C ATOM 377 C GLY A 26 -4.265 7.885 9.446 1.00 0.00 C ATOM 378 O GLY A 26 -5.415 7.501 9.238 1.00 0.00 O ATOM 0 H GLY A 26 -4.113 5.406 9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.167 7.459 9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.974 7.118 7.921 1.00 0.00 H new ATOM 382 N ASP A 27 -3.985 9.033 10.057 1.00 0.00 N ATOM 383 CA ASP A 27 -5.040 9.924 10.528 1.00 0.00 C ATOM 384 C ASP A 27 -5.952 10.342 9.377 1.00 0.00 C ATOM 385 O ASP A 27 -7.041 9.794 9.208 1.00 0.00 O ATOM 386 CB ASP A 27 -4.433 11.162 11.191 1.00 0.00 C ATOM 387 CG ASP A 27 -3.776 10.842 12.521 1.00 0.00 C ATOM 388 OD1 ASP A 27 -4.494 10.404 13.446 1.00 0.00 O ATOM 389 OD2 ASP A 27 -2.548 11.030 12.638 1.00 0.00 O ATOM 0 H ASP A 27 -3.038 9.367 10.237 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.637 9.384 11.263 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.695 11.605 10.522 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.213 11.908 11.344 1.00 0.00 H new ATOM 394 N ASN A 28 -5.498 11.309 8.586 1.00 0.00 N ATOM 395 CA ASN A 28 -6.275 11.791 7.450 1.00 0.00 C ATOM 396 C ASN A 28 -6.032 10.919 6.218 1.00 0.00 C ATOM 397 O ASN A 28 -6.958 10.297 5.700 1.00 0.00 O ATOM 398 CB ASN A 28 -5.924 13.248 7.144 1.00 0.00 C ATOM 399 CG ASN A 28 -6.934 14.221 7.721 1.00 0.00 C ATOM 400 OD1 ASN A 28 -8.118 13.902 7.846 1.00 0.00 O ATOM 401 ND2 ASN A 28 -6.472 15.414 8.076 1.00 0.00 N ATOM 0 H ASN A 28 -4.598 11.773 8.710 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.332 11.732 7.710 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.936 13.473 7.547 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.867 13.386 6.064 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.105 16.110 8.470 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.484 15.635 7.955 1.00 0.00 H new ATOM 408 N PRO A 29 -4.778 10.858 5.733 1.00 0.00 N ATOM 409 CA PRO A 29 -4.426 10.056 4.561 1.00 0.00 C ATOM 410 C PRO A 29 -4.253 8.579 4.904 1.00 0.00 C ATOM 411 O PRO A 29 -4.621 8.136 5.992 1.00 0.00 O ATOM 412 CB PRO A 29 -3.095 10.661 4.124 1.00 0.00 C ATOM 413 CG PRO A 29 -2.471 11.136 5.390 1.00 0.00 C ATOM 414 CD PRO A 29 -3.604 11.566 6.287 1.00 0.00 C ATOM 0 HA PRO A 29 -5.199 10.080 3.793 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.468 9.923 3.624 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.243 11.481 3.422 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.886 10.343 5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.790 11.965 5.200 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.421 11.287 7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.742 12.647 6.267 1.00 0.00 H new ATOM 422 N VAL A 30 -3.686 7.821 3.970 1.00 0.00 N ATOM 423 CA VAL A 30 -3.460 6.395 4.176 1.00 0.00 C ATOM 424 C VAL A 30 -1.978 6.057 4.064 1.00 0.00 C ATOM 425 O VAL A 30 -1.352 6.295 3.030 1.00 0.00 O ATOM 426 CB VAL A 30 -4.248 5.549 3.159 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.161 4.072 3.513 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.698 6.004 3.095 1.00 0.00 C ATOM 0 H VAL A 30 -3.375 8.171 3.064 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.811 6.158 5.180 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.803 5.691 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.724 3.489 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.118 3.756 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.579 3.911 4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.239 5.395 2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.158 5.894 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.738 7.050 2.791 1.00 0.00 H new ATOM 438 N PHE A 31 -1.420 5.504 5.136 1.00 0.00 N ATOM 439 CA PHE A 31 -0.010 5.137 5.161 1.00 0.00 C ATOM 440 C PHE A 31 0.164 3.687 5.612 1.00 0.00 C ATOM 441 O PHE A 31 -0.462 3.247 6.576 1.00 0.00 O ATOM 442 CB PHE A 31 0.756 6.087 6.091 1.00 0.00 C ATOM 443 CG PHE A 31 2.075 5.549 6.573 1.00 0.00 C ATOM 444 CD1 PHE A 31 2.128 4.676 7.646 1.00 0.00 C ATOM 445 CD2 PHE A 31 3.259 5.919 5.954 1.00 0.00 C ATOM 446 CE1 PHE A 31 3.336 4.180 8.095 1.00 0.00 C ATOM 447 CE2 PHE A 31 4.470 5.426 6.398 1.00 0.00 C ATOM 448 CZ PHE A 31 4.508 4.554 7.470 1.00 0.00 C ATOM 0 H PHE A 31 -1.924 5.300 5.999 1.00 0.00 H new ATOM 0 HA PHE A 31 0.394 5.226 4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.929 7.027 5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.131 6.313 6.955 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.213 4.379 8.138 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.234 6.600 5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.363 3.500 8.934 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.386 5.721 5.908 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.454 4.166 7.818 1.00 0.00 H new ATOM 458 N VAL A 32 1.021 2.955 4.908 1.00 0.00 N ATOM 459 CA VAL A 32 1.284 1.559 5.234 1.00 0.00 C ATOM 460 C VAL A 32 2.496 1.432 6.151 1.00 0.00 C ATOM 461 O VAL A 32 3.588 1.890 5.818 1.00 0.00 O ATOM 462 CB VAL A 32 1.524 0.720 3.963 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.584 -0.761 4.304 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.441 0.993 2.931 1.00 0.00 C ATOM 0 H VAL A 32 1.546 3.306 4.107 1.00 0.00 H new ATOM 0 HA VAL A 32 0.400 1.180 5.747 1.00 0.00 H new ATOM 0 HB VAL A 32 2.483 1.010 3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.754 -1.337 3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.399 -0.940 5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.642 -1.068 4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.627 0.392 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.532 0.733 3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.451 2.050 2.664 1.00 0.00 H new ATOM 474 N GLN A 33 2.293 0.812 7.309 1.00 0.00 N ATOM 475 CA GLN A 33 3.370 0.632 8.277 1.00 0.00 C ATOM 476 C GLN A 33 4.003 -0.749 8.150 1.00 0.00 C ATOM 477 O GLN A 33 5.225 -0.878 8.077 1.00 0.00 O ATOM 478 CB GLN A 33 2.842 0.833 9.698 1.00 0.00 C ATOM 479 CG GLN A 33 3.900 1.311 10.679 1.00 0.00 C ATOM 480 CD GLN A 33 3.460 1.178 12.122 1.00 0.00 C ATOM 481 OE1 GLN A 33 2.613 1.934 12.599 1.00 0.00 O ATOM 482 NE2 GLN A 33 4.036 0.211 12.829 1.00 0.00 N ATOM 0 H GLN A 33 1.395 0.426 7.600 1.00 0.00 H new ATOM 0 HA GLN A 33 4.136 1.379 8.068 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.027 1.556 9.675 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.424 -0.107 10.057 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.815 0.738 10.528 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.139 2.354 10.471 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.733 -0.393 12.394 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.781 0.073 13.807 1.00 0.00 H new ATOM 491 N SER A 34 3.168 -1.782 8.132 1.00 0.00 N ATOM 492 CA SER A 34 3.653 -3.154 8.021 1.00 0.00 C ATOM 493 C SER A 34 3.128 -3.824 6.754 1.00 0.00 C ATOM 494 O SER A 34 2.029 -3.524 6.290 1.00 0.00 O ATOM 495 CB SER A 34 3.233 -3.964 9.250 1.00 0.00 C ATOM 496 OG SER A 34 4.256 -3.972 10.229 1.00 0.00 O ATOM 0 H SER A 34 2.153 -1.696 8.193 1.00 0.00 H new ATOM 0 HA SER A 34 4.741 -3.122 7.965 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.322 -3.541 9.674 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.001 -4.987 8.953 1.00 0.00 H new ATOM 0 HG SER A 34 3.963 -4.494 11.005 1.00 0.00 H new ATOM 502 N VAL A 35 3.926 -4.734 6.203 1.00 0.00 N ATOM 503 CA VAL A 35 3.548 -5.452 4.993 1.00 0.00 C ATOM 504 C VAL A 35 3.880 -6.936 5.112 1.00 0.00 C ATOM 505 O VAL A 35 4.872 -7.312 5.735 1.00 0.00 O ATOM 506 CB VAL A 35 4.256 -4.877 3.752 1.00 0.00 C ATOM 507 CG1 VAL A 35 3.801 -3.452 3.488 1.00 0.00 C ATOM 508 CG2 VAL A 35 5.768 -4.938 3.924 1.00 0.00 C ATOM 0 H VAL A 35 4.840 -4.991 6.577 1.00 0.00 H new ATOM 0 HA VAL A 35 2.471 -5.329 4.875 1.00 0.00 H new ATOM 0 HB VAL A 35 3.985 -5.485 2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.313 -3.064 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.725 -3.440 3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.039 -2.829 4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.252 -4.528 3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.058 -4.356 4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.077 -5.974 4.059 1.00 0.00 H new ATOM 518 N LYS A 36 3.042 -7.775 4.514 1.00 0.00 N ATOM 519 CA LYS A 36 3.249 -9.218 4.555 1.00 0.00 C ATOM 520 C LYS A 36 4.472 -9.618 3.738 1.00 0.00 C ATOM 521 O LYS A 36 4.543 -9.355 2.537 1.00 0.00 O ATOM 522 CB LYS A 36 2.010 -9.947 4.031 1.00 0.00 C ATOM 523 CG LYS A 36 1.971 -11.422 4.402 1.00 0.00 C ATOM 524 CD LYS A 36 1.302 -11.641 5.750 1.00 0.00 C ATOM 525 CE LYS A 36 2.215 -12.388 6.712 1.00 0.00 C ATOM 526 NZ LYS A 36 2.588 -13.733 6.192 1.00 0.00 N ATOM 0 H LYS A 36 2.214 -7.482 3.996 1.00 0.00 H new ATOM 0 HA LYS A 36 3.420 -9.505 5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.118 -9.458 4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.975 -9.852 2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.433 -11.977 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.986 -11.818 4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.027 -10.678 6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.379 -12.204 5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.118 -11.802 6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.717 -12.497 7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.861 -14.348 6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.776 -14.150 5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.388 -13.641 5.534 1.00 0.00 H new ATOM 540 N GLU A 37 5.435 -10.254 4.396 1.00 0.00 N ATOM 541 CA GLU A 37 6.658 -10.690 3.732 1.00 0.00 C ATOM 542 C GLU A 37 6.479 -12.071 3.111 1.00 0.00 C ATOM 543 O GLU A 37 5.870 -12.958 3.709 1.00 0.00 O ATOM 544 CB GLU A 37 7.823 -10.712 4.724 1.00 0.00 C ATOM 545 CG GLU A 37 9.185 -10.578 4.064 1.00 0.00 C ATOM 546 CD GLU A 37 9.541 -11.781 3.211 1.00 0.00 C ATOM 547 OE1 GLU A 37 9.805 -12.858 3.783 1.00 0.00 O ATOM 548 OE2 GLU A 37 9.552 -11.644 1.968 1.00 0.00 O ATOM 0 H GLU A 37 5.392 -10.479 5.390 1.00 0.00 H new ATOM 0 HA GLU A 37 6.881 -9.980 2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.694 -9.901 5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.792 -11.644 5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.198 -9.681 3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.946 -10.445 4.833 1.00 0.00 H new ATOM 555 N ASP A 38 7.014 -12.248 1.907 1.00 0.00 N ATOM 556 CA ASP A 38 6.913 -13.521 1.204 1.00 0.00 C ATOM 557 C ASP A 38 5.455 -13.909 0.983 1.00 0.00 C ATOM 558 O ASP A 38 5.116 -15.092 0.945 1.00 0.00 O ATOM 559 CB ASP A 38 7.632 -14.621 1.990 1.00 0.00 C ATOM 560 CG ASP A 38 8.374 -15.587 1.086 1.00 0.00 C ATOM 561 OD1 ASP A 38 8.043 -15.647 -0.117 1.00 0.00 O ATOM 562 OD2 ASP A 38 9.285 -16.282 1.583 1.00 0.00 O ATOM 0 H ASP A 38 7.522 -11.525 1.398 1.00 0.00 H new ATOM 0 HA ASP A 38 7.390 -13.407 0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.336 -14.165 2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.905 -15.172 2.587 1.00 0.00 H new ATOM 567 N GLY A 39 4.597 -12.904 0.837 1.00 0.00 N ATOM 568 CA GLY A 39 3.185 -13.161 0.622 1.00 0.00 C ATOM 569 C GLY A 39 2.576 -12.230 -0.408 1.00 0.00 C ATOM 570 O GLY A 39 3.256 -11.785 -1.332 1.00 0.00 O ATOM 0 H GLY A 39 4.854 -11.917 0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.052 -14.193 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.651 -13.052 1.566 1.00 0.00 H new ATOM 574 N ALA A 40 1.289 -11.935 -0.248 1.00 0.00 N ATOM 575 CA ALA A 40 0.586 -11.051 -1.170 1.00 0.00 C ATOM 576 C ALA A 40 1.231 -9.670 -1.204 1.00 0.00 C ATOM 577 O ALA A 40 1.445 -9.101 -2.275 1.00 0.00 O ATOM 578 CB ALA A 40 -0.880 -10.944 -0.781 1.00 0.00 C ATOM 0 H ALA A 40 0.712 -12.296 0.512 1.00 0.00 H new ATOM 0 HA ALA A 40 0.654 -11.478 -2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.394 -10.281 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.339 -11.932 -0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.960 -10.542 0.229 1.00 0.00 H new ATOM 584 N ALA A 41 1.537 -9.135 -0.028 1.00 0.00 N ATOM 585 CA ALA A 41 2.157 -7.818 0.076 1.00 0.00 C ATOM 586 C ALA A 41 3.518 -7.799 -0.612 1.00 0.00 C ATOM 587 O ALA A 41 3.822 -6.889 -1.384 1.00 0.00 O ATOM 588 CB ALA A 41 2.293 -7.413 1.535 1.00 0.00 C ATOM 0 H ALA A 41 1.366 -9.592 0.868 1.00 0.00 H new ATOM 0 HA ALA A 41 1.514 -7.098 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.757 -6.429 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.306 -7.379 1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.913 -8.141 2.058 1.00 0.00 H new ATOM 594 N MET A 42 4.335 -8.808 -0.326 1.00 0.00 N ATOM 595 CA MET A 42 5.665 -8.906 -0.918 1.00 0.00 C ATOM 596 C MET A 42 5.576 -9.139 -2.422 1.00 0.00 C ATOM 597 O MET A 42 6.303 -8.522 -3.200 1.00 0.00 O ATOM 598 CB MET A 42 6.456 -10.038 -0.260 1.00 0.00 C ATOM 599 CG MET A 42 7.905 -10.111 -0.715 1.00 0.00 C ATOM 600 SD MET A 42 8.172 -11.363 -1.985 1.00 0.00 S ATOM 601 CE MET A 42 8.756 -10.349 -3.342 1.00 0.00 C ATOM 0 H MET A 42 4.100 -9.569 0.311 1.00 0.00 H new ATOM 0 HA MET A 42 6.183 -7.962 -0.746 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.430 -9.908 0.822 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.967 -10.987 -0.479 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.210 -9.138 -1.100 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.541 -10.328 0.143 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.964 -10.241 -4.083 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.038 -9.365 -2.966 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.622 -10.823 -3.804 1.00 0.00 H new ATOM 611 N ARG A 43 4.678 -10.034 -2.825 1.00 0.00 N ATOM 612 CA ARG A 43 4.494 -10.349 -4.237 1.00 0.00 C ATOM 613 C ARG A 43 3.915 -9.155 -4.989 1.00 0.00 C ATOM 614 O ARG A 43 4.214 -8.944 -6.165 1.00 0.00 O ATOM 615 CB ARG A 43 3.575 -11.562 -4.395 1.00 0.00 C ATOM 616 CG ARG A 43 4.321 -12.883 -4.483 1.00 0.00 C ATOM 617 CD ARG A 43 4.424 -13.373 -5.918 1.00 0.00 C ATOM 618 NE ARG A 43 5.203 -12.461 -6.754 1.00 0.00 N ATOM 619 CZ ARG A 43 5.354 -12.605 -8.068 1.00 0.00 C ATOM 620 NH1 ARG A 43 4.781 -13.621 -8.702 1.00 0.00 N ATOM 621 NH2 ARG A 43 6.079 -11.731 -8.752 1.00 0.00 N ATOM 0 H ARG A 43 4.067 -10.553 -2.194 1.00 0.00 H new ATOM 0 HA ARG A 43 5.470 -10.584 -4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.887 -11.598 -3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.971 -11.435 -5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.321 -12.765 -4.066 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.809 -13.632 -3.878 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.885 -14.360 -5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.423 -13.483 -6.336 1.00 0.00 H new ATOM 0 HE ARG A 43 5.658 -11.667 -6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.221 -14.297 -8.182 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.900 -13.726 -9.710 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.521 -10.948 -8.271 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.195 -11.842 -9.759 1.00 0.00 H new ATOM 635 N ALA A 44 3.087 -8.376 -4.303 1.00 0.00 N ATOM 636 CA ALA A 44 2.465 -7.202 -4.906 1.00 0.00 C ATOM 637 C ALA A 44 3.483 -6.086 -5.132 1.00 0.00 C ATOM 638 O ALA A 44 3.226 -5.143 -5.879 1.00 0.00 O ATOM 639 CB ALA A 44 1.322 -6.706 -4.032 1.00 0.00 C ATOM 0 H ALA A 44 2.830 -8.536 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 44 2.069 -7.494 -5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.866 -5.830 -4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.575 -7.493 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.706 -6.440 -3.047 1.00 0.00 H new ATOM 645 N GLY A 45 4.640 -6.198 -4.483 1.00 0.00 N ATOM 646 CA GLY A 45 5.671 -5.188 -4.634 1.00 0.00 C ATOM 647 C GLY A 45 5.520 -4.050 -3.644 1.00 0.00 C ATOM 648 O GLY A 45 5.941 -2.925 -3.913 1.00 0.00 O ATOM 0 H GLY A 45 4.880 -6.967 -3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.649 -5.650 -4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.639 -4.790 -5.648 1.00 0.00 H new ATOM 652 N VAL A 46 4.918 -4.343 -2.495 1.00 0.00 N ATOM 653 CA VAL A 46 4.713 -3.334 -1.463 1.00 0.00 C ATOM 654 C VAL A 46 5.995 -3.093 -0.672 1.00 0.00 C ATOM 655 O VAL A 46 6.888 -3.941 -0.647 1.00 0.00 O ATOM 656 CB VAL A 46 3.591 -3.743 -0.489 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.277 -2.608 0.472 1.00 0.00 C ATOM 658 CG2 VAL A 46 2.344 -4.164 -1.254 1.00 0.00 C ATOM 0 H VAL A 46 4.564 -5.269 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 46 4.422 -2.415 -1.972 1.00 0.00 H new ATOM 0 HB VAL A 46 3.936 -4.597 0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.482 -2.916 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.170 -2.360 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.953 -1.733 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.563 -4.449 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.994 -3.332 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.580 -5.012 -1.896 1.00 0.00 H new ATOM 668 N GLN A 47 6.080 -1.934 -0.026 1.00 0.00 N ATOM 669 CA GLN A 47 7.254 -1.585 0.765 1.00 0.00 C ATOM 670 C GLN A 47 6.847 -1.056 2.136 1.00 0.00 C ATOM 671 O GLN A 47 5.831 -0.375 2.274 1.00 0.00 O ATOM 672 CB GLN A 47 8.096 -0.541 0.032 1.00 0.00 C ATOM 673 CG GLN A 47 8.887 -1.105 -1.134 1.00 0.00 C ATOM 674 CD GLN A 47 9.220 -0.054 -2.177 1.00 0.00 C ATOM 675 OE1 GLN A 47 10.384 0.293 -2.376 1.00 0.00 O ATOM 676 NE2 GLN A 47 8.195 0.457 -2.849 1.00 0.00 N ATOM 0 H GLN A 47 5.350 -1.221 -0.035 1.00 0.00 H new ATOM 0 HA GLN A 47 7.849 -2.487 0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.441 0.250 -0.333 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.786 -0.082 0.740 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.811 -1.547 -0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.316 -1.907 -1.601 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.246 0.140 -2.651 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.357 1.167 -3.563 1.00 0.00 H new ATOM 685 N THR A 48 7.647 -1.373 3.149 1.00 0.00 N ATOM 686 CA THR A 48 7.371 -0.928 4.510 1.00 0.00 C ATOM 687 C THR A 48 7.449 0.592 4.609 1.00 0.00 C ATOM 688 O THR A 48 8.460 1.196 4.248 1.00 0.00 O ATOM 689 CB THR A 48 8.356 -1.567 5.489 1.00 0.00 C ATOM 690 OG1 THR A 48 8.733 -2.860 5.049 1.00 0.00 O ATOM 691 CG2 THR A 48 7.804 -1.702 6.890 1.00 0.00 C ATOM 0 H THR A 48 8.492 -1.936 3.053 1.00 0.00 H new ATOM 0 HA THR A 48 6.360 -1.241 4.771 1.00 0.00 H new ATOM 0 HB THR A 48 9.213 -0.894 5.517 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.534 -2.794 4.488 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.554 -2.163 7.534 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.550 -0.715 7.278 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.910 -2.325 6.870 1.00 0.00 H new ATOM 699 N GLY A 49 6.379 1.204 5.101 1.00 0.00 N ATOM 700 CA GLY A 49 6.347 2.648 5.238 1.00 0.00 C ATOM 701 C GLY A 49 6.077 3.348 3.921 1.00 0.00 C ATOM 702 O GLY A 49 6.758 4.310 3.570 1.00 0.00 O ATOM 0 H GLY A 49 5.532 0.726 5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.577 2.925 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.299 2.993 5.641 1.00 0.00 H new ATOM 706 N ASP A 50 5.081 2.861 3.189 1.00 0.00 N ATOM 707 CA ASP A 50 4.722 3.446 1.902 1.00 0.00 C ATOM 708 C ASP A 50 3.431 4.250 2.010 1.00 0.00 C ATOM 709 O ASP A 50 2.486 3.840 2.685 1.00 0.00 O ATOM 710 CB ASP A 50 4.568 2.349 0.845 1.00 0.00 C ATOM 711 CG ASP A 50 5.334 2.659 -0.426 1.00 0.00 C ATOM 712 OD1 ASP A 50 6.577 2.537 -0.416 1.00 0.00 O ATOM 713 OD2 ASP A 50 4.690 3.024 -1.433 1.00 0.00 O ATOM 0 H ASP A 50 4.508 2.063 3.464 1.00 0.00 H new ATOM 0 HA ASP A 50 5.524 4.121 1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.918 1.402 1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.512 2.223 0.608 1.00 0.00 H new ATOM 718 N ARG A 51 3.396 5.399 1.342 1.00 0.00 N ATOM 719 CA ARG A 51 2.220 6.262 1.362 1.00 0.00 C ATOM 720 C ARG A 51 1.287 5.940 0.200 1.00 0.00 C ATOM 721 O ARG A 51 1.726 5.468 -0.848 1.00 0.00 O ATOM 722 CB ARG A 51 2.637 7.732 1.304 1.00 0.00 C ATOM 723 CG ARG A 51 3.173 8.267 2.623 1.00 0.00 C ATOM 724 CD ARG A 51 3.894 9.592 2.434 1.00 0.00 C ATOM 725 NE ARG A 51 5.325 9.408 2.212 1.00 0.00 N ATOM 726 CZ ARG A 51 6.230 10.371 2.368 1.00 0.00 C ATOM 727 NH1 ARG A 51 5.855 11.588 2.745 1.00 0.00 N ATOM 728 NH2 ARG A 51 7.512 10.119 2.147 1.00 0.00 N ATOM 0 H ARG A 51 4.169 5.754 0.780 1.00 0.00 H new ATOM 0 HA ARG A 51 1.685 6.080 2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.400 7.854 0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.779 8.332 1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.350 8.396 3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.856 7.539 3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.461 10.123 1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.741 10.217 3.314 1.00 0.00 H new ATOM 0 HE ARG A 51 5.651 8.487 1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.870 11.788 2.916 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.552 12.323 2.863 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.806 9.186 1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.205 10.858 2.267 1.00 0.00 H new ATOM 742 N ILE A 52 -0.002 6.196 0.393 1.00 0.00 N ATOM 743 CA ILE A 52 -0.996 5.932 -0.641 1.00 0.00 C ATOM 744 C ILE A 52 -1.492 7.231 -1.269 1.00 0.00 C ATOM 745 O ILE A 52 -1.819 8.187 -0.565 1.00 0.00 O ATOM 746 CB ILE A 52 -2.204 5.155 -0.079 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.735 4.040 0.857 1.00 0.00 C ATOM 748 CG2 ILE A 52 -3.040 4.586 -1.214 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.825 3.031 0.189 1.00 0.00 C ATOM 0 H ILE A 52 -0.383 6.586 1.255 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.506 5.324 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.824 5.844 0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.212 4.484 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.607 3.522 1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.889 4.040 -0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.402 5.400 -1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.429 3.910 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.532 2.270 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.352 2.559 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.065 3.536 -0.187 1.00 0.00 H new ATOM 761 N ILE A 53 -1.548 7.256 -2.595 1.00 0.00 N ATOM 762 CA ILE A 53 -2.006 8.437 -3.318 1.00 0.00 C ATOM 763 C ILE A 53 -3.391 8.211 -3.915 1.00 0.00 C ATOM 764 O ILE A 53 -4.199 9.134 -4.002 1.00 0.00 O ATOM 765 CB ILE A 53 -1.028 8.822 -4.445 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.405 8.871 -3.912 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.421 10.159 -5.054 1.00 0.00 C ATOM 768 CD1 ILE A 53 0.588 9.846 -2.767 1.00 0.00 C ATOM 0 H ILE A 53 -1.282 6.473 -3.192 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.053 9.252 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.078 8.062 -5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.696 7.874 -3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.078 9.146 -4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.721 10.417 -5.848 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.428 10.089 -5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.397 10.931 -4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.627 9.830 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.328 10.851 -3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.060 9.560 -1.938 1.00 0.00 H new ATOM 780 N LYS A 54 -3.657 6.975 -4.323 1.00 0.00 N ATOM 781 CA LYS A 54 -4.946 6.624 -4.911 1.00 0.00 C ATOM 782 C LYS A 54 -5.293 5.167 -4.625 1.00 0.00 C ATOM 783 O LYS A 54 -4.411 4.348 -4.360 1.00 0.00 O ATOM 784 CB LYS A 54 -4.927 6.870 -6.422 1.00 0.00 C ATOM 785 CG LYS A 54 -4.367 8.229 -6.809 1.00 0.00 C ATOM 786 CD LYS A 54 -4.696 8.576 -8.251 1.00 0.00 C ATOM 787 CE LYS A 54 -3.551 9.321 -8.919 1.00 0.00 C ATOM 788 NZ LYS A 54 -3.716 10.799 -8.817 1.00 0.00 N ATOM 0 H LYS A 54 -2.998 6.199 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.709 7.257 -4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.333 6.092 -6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.942 6.781 -6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.775 8.994 -6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.286 8.231 -6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.911 7.663 -8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.597 9.188 -8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.608 9.028 -8.457 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.494 9.033 -9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.479 11.239 -9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.702 11.022 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.083 11.169 -8.080 1.00 0.00 H new ATOM 802 N VAL A 55 -6.581 4.848 -4.678 1.00 0.00 N ATOM 803 CA VAL A 55 -7.044 3.491 -4.423 1.00 0.00 C ATOM 804 C VAL A 55 -8.172 3.106 -5.374 1.00 0.00 C ATOM 805 O VAL A 55 -9.283 3.625 -5.280 1.00 0.00 O ATOM 806 CB VAL A 55 -7.537 3.330 -2.972 1.00 0.00 C ATOM 807 CG1 VAL A 55 -6.357 3.258 -2.013 1.00 0.00 C ATOM 808 CG2 VAL A 55 -8.472 4.468 -2.595 1.00 0.00 C ATOM 0 H VAL A 55 -7.324 5.512 -4.896 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.192 2.831 -4.587 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.094 2.396 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.724 3.144 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.730 2.404 -2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.771 4.174 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.809 4.336 -1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.944 5.417 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.334 4.467 -3.262 1.00 0.00 H new ATOM 818 N ASN A 56 -7.877 2.189 -6.290 1.00 0.00 N ATOM 819 CA ASN A 56 -8.865 1.731 -7.261 1.00 0.00 C ATOM 820 C ASN A 56 -9.352 2.886 -8.130 1.00 0.00 C ATOM 821 O ASN A 56 -10.543 3.004 -8.415 1.00 0.00 O ATOM 822 CB ASN A 56 -10.050 1.080 -6.545 1.00 0.00 C ATOM 823 CG ASN A 56 -9.717 -0.303 -6.020 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.928 -1.034 -6.618 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.319 -0.669 -4.894 1.00 0.00 N ATOM 0 H ASN A 56 -6.962 1.748 -6.380 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.388 0.993 -7.906 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.364 1.715 -5.716 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.894 1.012 -7.232 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.134 -1.588 -4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.966 -0.031 -4.431 1.00 0.00 H new ATOM 832 N GLY A 57 -8.420 3.737 -8.549 1.00 0.00 N ATOM 833 CA GLY A 57 -8.772 4.871 -9.383 1.00 0.00 C ATOM 834 C GLY A 57 -9.492 5.959 -8.611 1.00 0.00 C ATOM 835 O GLY A 57 -10.264 6.729 -9.184 1.00 0.00 O ATOM 0 H GLY A 57 -7.428 3.661 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.867 5.284 -9.829 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.405 4.532 -10.203 1.00 0.00 H new ATOM 839 N THR A 58 -9.241 6.024 -7.308 1.00 0.00 N ATOM 840 CA THR A 58 -9.871 7.027 -6.457 1.00 0.00 C ATOM 841 C THR A 58 -8.875 7.589 -5.447 1.00 0.00 C ATOM 842 O THR A 58 -8.370 6.866 -4.589 1.00 0.00 O ATOM 843 CB THR A 58 -11.072 6.426 -5.724 1.00 0.00 C ATOM 844 OG1 THR A 58 -10.646 5.603 -4.654 1.00 0.00 O ATOM 845 CG2 THR A 58 -11.963 5.593 -6.619 1.00 0.00 C ATOM 0 H THR A 58 -8.606 5.394 -6.818 1.00 0.00 H new ATOM 0 HA THR A 58 -10.214 7.842 -7.095 1.00 0.00 H new ATOM 0 HB THR A 58 -11.645 7.279 -5.361 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.470 4.698 -4.987 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.795 5.197 -6.037 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.349 6.214 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.388 4.768 -7.038 1.00 0.00 H new ATOM 853 N LEU A 59 -8.596 8.884 -5.557 1.00 0.00 N ATOM 854 CA LEU A 59 -7.660 9.545 -4.654 1.00 0.00 C ATOM 855 C LEU A 59 -8.155 9.477 -3.213 1.00 0.00 C ATOM 856 O LEU A 59 -7.641 8.704 -2.406 1.00 0.00 O ATOM 857 CB LEU A 59 -7.463 11.005 -5.072 1.00 0.00 C ATOM 858 CG LEU A 59 -6.505 11.218 -6.246 1.00 0.00 C ATOM 859 CD1 LEU A 59 -7.081 12.221 -7.234 1.00 0.00 C ATOM 860 CD2 LEU A 59 -5.144 11.683 -5.747 1.00 0.00 C ATOM 0 H LEU A 59 -9.005 9.497 -6.263 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.704 9.025 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.434 11.426 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.093 11.566 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.377 10.265 -6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.384 12.358 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.031 11.849 -7.618 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.241 13.175 -6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.476 11.829 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.256 12.623 -5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.724 10.930 -5.080 1.00 0.00 H new ATOM 872 N VAL A 60 -9.154 10.296 -2.897 1.00 0.00 N ATOM 873 CA VAL A 60 -9.718 10.328 -1.552 1.00 0.00 C ATOM 874 C VAL A 60 -8.688 10.814 -0.536 1.00 0.00 C ATOM 875 O VAL A 60 -7.703 10.131 -0.261 1.00 0.00 O ATOM 876 CB VAL A 60 -10.229 8.940 -1.121 1.00 0.00 C ATOM 877 CG1 VAL A 60 -10.988 9.034 0.193 1.00 0.00 C ATOM 878 CG2 VAL A 60 -11.102 8.333 -2.209 1.00 0.00 C ATOM 0 H VAL A 60 -9.589 10.945 -3.553 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.557 11.023 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.370 8.287 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.341 8.044 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.327 9.423 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.841 9.703 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.454 7.353 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.957 8.983 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.521 8.228 -3.125 1.00 0.00 H new ATOM 888 N THR A 61 -8.926 11.999 0.018 1.00 0.00 N ATOM 889 CA THR A 61 -8.019 12.576 1.004 1.00 0.00 C ATOM 890 C THR A 61 -8.740 12.822 2.326 1.00 0.00 C ATOM 891 O THR A 61 -8.420 13.765 3.052 1.00 0.00 O ATOM 892 CB THR A 61 -7.429 13.886 0.480 1.00 0.00 C ATOM 893 OG1 THR A 61 -6.935 13.722 -0.836 1.00 0.00 O ATOM 894 CG2 THR A 61 -6.298 14.417 1.334 1.00 0.00 C ATOM 0 H THR A 61 -9.738 12.577 -0.199 1.00 0.00 H new ATOM 0 HA THR A 61 -7.210 11.866 1.178 1.00 0.00 H new ATOM 0 HB THR A 61 -8.249 14.603 0.507 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.563 14.571 -1.154 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.925 15.348 0.906 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.661 14.602 2.345 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.492 13.684 1.367 1.00 0.00 H new ATOM 902 N HIS A 62 -9.712 11.971 2.634 1.00 0.00 N ATOM 903 CA HIS A 62 -10.476 12.095 3.867 1.00 0.00 C ATOM 904 C HIS A 62 -11.340 10.859 4.099 1.00 0.00 C ATOM 905 O HIS A 62 -12.348 10.656 3.421 1.00 0.00 O ATOM 906 CB HIS A 62 -11.357 13.345 3.824 1.00 0.00 C ATOM 907 CG HIS A 62 -12.227 13.421 2.608 1.00 0.00 C ATOM 908 ND1 HIS A 62 -11.725 13.539 1.329 1.00 0.00 N ATOM 909 CD2 HIS A 62 -13.575 13.395 2.480 1.00 0.00 C ATOM 910 CE1 HIS A 62 -12.726 13.585 0.468 1.00 0.00 C ATOM 911 NE2 HIS A 62 -13.859 13.498 1.140 1.00 0.00 N ATOM 0 H HIS A 62 -9.989 11.186 2.044 1.00 0.00 H new ATOM 0 HA HIS A 62 -9.771 12.184 4.693 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -11.987 13.367 4.713 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.721 14.229 3.862 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -14.293 13.309 3.282 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -12.633 13.678 -0.604 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -14.793 13.506 0.731 1.00 0.00 H new ATOM 920 N SER A 63 -10.936 10.034 5.059 1.00 0.00 N ATOM 921 CA SER A 63 -11.673 8.816 5.378 1.00 0.00 C ATOM 922 C SER A 63 -11.124 8.164 6.643 1.00 0.00 C ATOM 923 O SER A 63 -10.005 8.450 7.064 1.00 0.00 O ATOM 924 CB SER A 63 -11.599 7.831 4.209 1.00 0.00 C ATOM 925 OG SER A 63 -12.377 6.675 4.466 1.00 0.00 O ATOM 0 H SER A 63 -10.104 10.186 5.629 1.00 0.00 H new ATOM 0 HA SER A 63 -12.715 9.085 5.553 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.952 8.315 3.298 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.562 7.544 4.036 1.00 0.00 H new ATOM 0 HG SER A 63 -13.191 6.929 4.948 1.00 0.00 H new ATOM 931 N ASN A 64 -11.921 7.285 7.242 1.00 0.00 N ATOM 932 CA ASN A 64 -11.515 6.591 8.459 1.00 0.00 C ATOM 933 C ASN A 64 -10.848 5.260 8.129 1.00 0.00 C ATOM 934 O ASN A 64 -10.899 4.795 6.991 1.00 0.00 O ATOM 935 CB ASN A 64 -12.724 6.358 9.367 1.00 0.00 C ATOM 936 CG ASN A 64 -12.337 6.256 10.829 1.00 0.00 C ATOM 937 OD1 ASN A 64 -11.183 6.480 11.195 1.00 0.00 O ATOM 938 ND2 ASN A 64 -13.304 5.917 11.675 1.00 0.00 N ATOM 0 H ASN A 64 -12.851 7.037 6.905 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.793 7.219 8.982 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.435 7.174 9.238 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.232 5.443 9.064 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.104 5.833 12.672 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.247 5.740 11.328 1.00 0.00 H new ATOM 945 N HIS A 65 -10.224 4.651 9.132 1.00 0.00 N ATOM 946 CA HIS A 65 -9.547 3.373 8.949 1.00 0.00 C ATOM 947 C HIS A 65 -10.522 2.303 8.468 1.00 0.00 C ATOM 948 O HIS A 65 -10.201 1.508 7.581 1.00 0.00 O ATOM 949 CB HIS A 65 -8.889 2.930 10.258 1.00 0.00 C ATOM 950 CG HIS A 65 -7.872 1.845 10.080 1.00 0.00 C ATOM 951 ND1 HIS A 65 -8.160 0.632 9.490 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.562 1.795 10.418 1.00 0.00 C ATOM 953 CE1 HIS A 65 -7.071 -0.116 9.475 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.088 0.566 10.031 1.00 0.00 N ATOM 0 H HIS A 65 -10.173 5.023 10.081 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.777 3.504 8.189 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.411 3.791 10.725 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.662 2.583 10.944 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.995 2.577 10.902 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.998 -1.117 9.075 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -5.131 0.234 10.153 1.00 0.00 H new ATOM 963 N LEU A 66 -11.714 2.289 9.056 1.00 0.00 N ATOM 964 CA LEU A 66 -12.738 1.316 8.687 1.00 0.00 C ATOM 965 C LEU A 66 -13.021 1.373 7.189 1.00 0.00 C ATOM 966 O LEU A 66 -13.133 0.342 6.524 1.00 0.00 O ATOM 967 CB LEU A 66 -14.025 1.571 9.473 1.00 0.00 C ATOM 968 CG LEU A 66 -14.791 0.313 9.886 1.00 0.00 C ATOM 969 CD1 LEU A 66 -14.032 -0.445 10.963 1.00 0.00 C ATOM 970 CD2 LEU A 66 -16.187 0.676 10.370 1.00 0.00 C ATOM 0 H LEU A 66 -11.995 2.940 9.790 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.366 0.321 8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.778 2.139 10.370 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.683 2.197 8.870 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.886 -0.335 9.014 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.592 -1.337 11.244 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.053 -0.737 10.582 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.905 0.194 11.837 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.719 -0.230 10.660 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.112 1.343 11.229 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -16.732 1.175 9.569 1.00 0.00 H new ATOM 982 N GLU A 67 -13.123 2.589 6.661 1.00 0.00 N ATOM 983 CA GLU A 67 -13.379 2.781 5.242 1.00 0.00 C ATOM 984 C GLU A 67 -12.210 2.257 4.420 1.00 0.00 C ATOM 985 O GLU A 67 -12.402 1.635 3.375 1.00 0.00 O ATOM 986 CB GLU A 67 -13.616 4.260 4.937 1.00 0.00 C ATOM 987 CG GLU A 67 -15.066 4.689 5.090 1.00 0.00 C ATOM 988 CD GLU A 67 -15.467 5.758 4.092 1.00 0.00 C ATOM 989 OE1 GLU A 67 -15.002 5.694 2.935 1.00 0.00 O ATOM 990 OE2 GLU A 67 -16.246 6.659 4.468 1.00 0.00 O ATOM 0 H GLU A 67 -13.032 3.453 7.195 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.276 2.223 4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.996 4.863 5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.290 4.469 3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.713 3.821 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.225 5.063 6.101 1.00 0.00 H new ATOM 997 N VAL A 68 -10.996 2.504 4.905 1.00 0.00 N ATOM 998 CA VAL A 68 -9.796 2.049 4.218 1.00 0.00 C ATOM 999 C VAL A 68 -9.726 0.528 4.212 1.00 0.00 C ATOM 1000 O VAL A 68 -9.476 -0.090 3.173 1.00 0.00 O ATOM 1001 CB VAL A 68 -8.523 2.609 4.879 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -7.296 2.273 4.044 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -8.644 4.112 5.084 1.00 0.00 C ATOM 0 H VAL A 68 -10.820 3.016 5.770 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.851 2.417 3.194 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.407 2.141 5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.406 2.677 4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.201 1.191 3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.401 2.711 3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.735 4.490 5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.786 4.600 4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.498 4.324 5.727 1.00 0.00 H new ATOM 1013 N VAL A 69 -9.968 -0.078 5.374 1.00 0.00 N ATOM 1014 CA VAL A 69 -9.943 -1.529 5.484 1.00 0.00 C ATOM 1015 C VAL A 69 -11.065 -2.135 4.649 1.00 0.00 C ATOM 1016 O VAL A 69 -10.870 -3.138 3.964 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.075 -2.001 6.947 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -11.358 -1.478 7.563 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -10.010 -3.521 7.033 1.00 0.00 C ATOM 0 H VAL A 69 -10.181 0.411 6.243 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.977 -1.867 5.110 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.237 -1.596 7.514 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.433 -1.822 8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.353 -0.388 7.543 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.212 -1.848 6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.105 -3.831 8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.823 -3.954 6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.055 -3.867 6.637 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.239 -1.510 4.695 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.377 -1.988 3.922 1.00 0.00 C ATOM 1031 C LYS A 70 -13.099 -1.835 2.431 1.00 0.00 C ATOM 1032 O LYS A 70 -13.462 -2.695 1.628 1.00 0.00 O ATOM 1033 CB LYS A 70 -14.652 -1.231 4.304 1.00 0.00 C ATOM 1034 CG LYS A 70 -15.619 -2.055 5.138 1.00 0.00 C ATOM 1035 CD LYS A 70 -15.395 -1.841 6.627 1.00 0.00 C ATOM 1036 CE LYS A 70 -16.398 -2.623 7.459 1.00 0.00 C ATOM 1037 NZ LYS A 70 -17.796 -2.403 6.995 1.00 0.00 N ATOM 0 H LYS A 70 -12.424 -0.678 5.255 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.527 -3.044 4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.380 -0.333 4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.157 -0.903 3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.643 -1.786 4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.498 -3.112 4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.383 -2.148 6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.477 -0.779 6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.162 -3.686 7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.312 -2.327 8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.460 -2.705 7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.940 -1.393 6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.966 -2.957 6.132 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.446 -0.734 2.069 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.113 -0.468 0.677 1.00 0.00 C ATOM 1053 C LEU A 71 -11.069 -1.461 0.180 1.00 0.00 C ATOM 1054 O LEU A 71 -11.216 -2.044 -0.894 1.00 0.00 O ATOM 1055 CB LEU A 71 -11.592 0.963 0.512 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.585 1.945 -0.111 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.239 3.374 0.285 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -12.601 1.799 -1.624 1.00 0.00 C ATOM 0 H LEU A 71 -12.138 -0.013 2.722 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.019 -0.582 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.296 1.341 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.694 0.938 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.581 1.715 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.955 4.060 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.278 3.471 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.235 3.615 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.313 2.506 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.606 2.003 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.895 0.783 -1.888 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.016 -1.655 0.971 1.00 0.00 N ATOM 1071 CA ILE A 72 -8.958 -2.584 0.602 1.00 0.00 C ATOM 1072 C ILE A 72 -9.459 -4.025 0.644 1.00 0.00 C ATOM 1073 O ILE A 72 -9.093 -4.844 -0.200 1.00 0.00 O ATOM 1074 CB ILE A 72 -7.730 -2.445 1.525 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -6.593 -3.349 1.044 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -8.104 -2.774 2.961 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -5.229 -2.697 1.118 1.00 0.00 C ATOM 0 H ILE A 72 -9.876 -1.184 1.865 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.658 -2.334 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.386 -1.412 1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.585 -4.259 1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.788 -3.648 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.226 -2.671 3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.881 -2.089 3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.473 -3.798 3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.472 -3.396 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.219 -1.802 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.012 -2.423 2.150 1.00 0.00 H new ATOM 1089 N LYS A 73 -10.303 -4.330 1.629 1.00 0.00 N ATOM 1090 CA LYS A 73 -10.854 -5.673 1.771 1.00 0.00 C ATOM 1091 C LYS A 73 -11.928 -5.938 0.720 1.00 0.00 C ATOM 1092 O LYS A 73 -12.168 -7.084 0.340 1.00 0.00 O ATOM 1093 CB LYS A 73 -11.434 -5.865 3.173 1.00 0.00 C ATOM 1094 CG LYS A 73 -11.539 -7.322 3.594 1.00 0.00 C ATOM 1095 CD LYS A 73 -12.678 -7.537 4.577 1.00 0.00 C ATOM 1096 CE LYS A 73 -12.179 -7.549 6.013 1.00 0.00 C ATOM 1097 NZ LYS A 73 -11.089 -8.542 6.215 1.00 0.00 N ATOM 0 H LYS A 73 -10.618 -3.667 2.337 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.044 -6.387 1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.811 -5.332 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.425 -5.412 3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.694 -7.946 2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.600 -7.639 4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.419 -6.747 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.178 -8.480 4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.819 -6.556 6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.008 -7.778 6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.138 -8.920 7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.198 -9.320 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.168 -8.081 6.070 1.00 0.00 H new ATOM 1111 N SER A 74 -12.572 -4.872 0.254 1.00 0.00 N ATOM 1112 CA SER A 74 -13.623 -4.989 -0.751 1.00 0.00 C ATOM 1113 C SER A 74 -13.063 -5.525 -2.065 1.00 0.00 C ATOM 1114 O SER A 74 -12.792 -4.763 -2.993 1.00 0.00 O ATOM 1115 CB SER A 74 -14.288 -3.631 -0.983 1.00 0.00 C ATOM 1116 OG SER A 74 -15.242 -3.703 -2.029 1.00 0.00 O ATOM 0 H SER A 74 -12.384 -3.916 0.557 1.00 0.00 H new ATOM 0 HA SER A 74 -14.368 -5.693 -0.381 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.774 -3.299 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.529 -2.888 -1.229 1.00 0.00 H new ATOM 0 HG SER A 74 -15.654 -2.823 -2.157 1.00 0.00 H new ATOM 1122 N GLY A 75 -12.893 -6.841 -2.134 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.368 -7.459 -3.338 1.00 0.00 C ATOM 1124 C GLY A 75 -10.995 -8.066 -3.126 1.00 0.00 C ATOM 1125 O GLY A 75 -10.182 -7.531 -2.374 1.00 0.00 O ATOM 0 H GLY A 75 -13.109 -7.491 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.057 -8.234 -3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.314 -6.714 -4.132 1.00 0.00 H new ATOM 1129 N SER A 76 -10.739 -9.187 -3.791 1.00 0.00 N ATOM 1130 CA SER A 76 -9.455 -9.868 -3.673 1.00 0.00 C ATOM 1131 C SER A 76 -8.348 -9.058 -4.341 1.00 0.00 C ATOM 1132 O SER A 76 -7.292 -8.826 -3.751 1.00 0.00 O ATOM 1133 CB SER A 76 -9.533 -11.261 -4.300 1.00 0.00 C ATOM 1134 OG SER A 76 -10.005 -12.216 -3.365 1.00 0.00 O ATOM 0 H SER A 76 -11.403 -9.643 -4.417 1.00 0.00 H new ATOM 0 HA SER A 76 -9.220 -9.968 -2.613 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.195 -11.237 -5.166 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.548 -11.557 -4.660 1.00 0.00 H new ATOM 0 HG SER A 76 -10.047 -13.098 -3.791 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.598 -8.631 -5.573 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.623 -7.845 -6.322 1.00 0.00 C ATOM 1142 C TYR A 77 -7.910 -6.353 -6.186 1.00 0.00 C ATOM 1143 O TYR A 77 -8.986 -5.883 -6.555 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.635 -8.252 -7.797 1.00 0.00 C ATOM 1145 CG TYR A 77 -6.320 -8.822 -8.277 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -5.752 -9.928 -7.657 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -5.646 -8.256 -9.352 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -4.551 -10.452 -8.094 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -4.445 -8.776 -9.796 1.00 0.00 C ATOM 1150 CZ TYR A 77 -3.901 -9.874 -9.163 1.00 0.00 C ATOM 1151 OH TYR A 77 -2.705 -10.393 -9.601 1.00 0.00 O ATOM 0 H TYR A 77 -9.467 -8.815 -6.075 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.634 -8.043 -5.908 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.421 -8.990 -7.955 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.888 -7.382 -8.403 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.258 -10.386 -6.820 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.068 -7.395 -9.849 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.123 -11.312 -7.600 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.935 -8.325 -10.634 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.381 -9.869 -10.363 1.00 0.00 H new ATOM 1161 N VAL A 78 -6.941 -5.614 -5.657 1.00 0.00 N ATOM 1162 CA VAL A 78 -7.092 -4.175 -5.474 1.00 0.00 C ATOM 1163 C VAL A 78 -5.832 -3.431 -5.906 1.00 0.00 C ATOM 1164 O VAL A 78 -4.719 -3.821 -5.556 1.00 0.00 O ATOM 1165 CB VAL A 78 -7.408 -3.826 -4.005 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -6.275 -4.266 -3.092 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -7.678 -2.336 -3.854 1.00 0.00 C ATOM 0 H VAL A 78 -6.043 -5.987 -5.348 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.927 -3.861 -6.100 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.308 -4.366 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.518 -4.010 -2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.138 -5.344 -3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.355 -3.760 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.899 -2.110 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.799 -1.773 -4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.530 -2.056 -4.474 1.00 0.00 H new ATOM 1177 N ALA A 79 -6.017 -2.358 -6.668 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.897 -1.558 -7.146 1.00 0.00 C ATOM 1179 C ALA A 79 -4.935 -0.154 -6.551 1.00 0.00 C ATOM 1180 O ALA A 79 -5.875 0.605 -6.785 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.909 -1.488 -8.666 1.00 0.00 C ATOM 0 H ALA A 79 -6.933 -2.023 -6.967 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.974 -2.039 -6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.067 -0.887 -9.009 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.828 -2.494 -9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.840 -1.032 -9.002 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.906 0.183 -5.780 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.823 1.496 -5.148 1.00 0.00 C ATOM 1189 C LEU A 80 -2.455 2.130 -5.384 1.00 0.00 C ATOM 1190 O LEU A 80 -1.422 1.517 -5.113 1.00 0.00 O ATOM 1191 CB LEU A 80 -4.097 1.389 -3.645 1.00 0.00 C ATOM 1192 CG LEU A 80 -3.706 0.054 -3.003 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -2.194 -0.071 -2.911 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -4.339 -0.079 -1.627 1.00 0.00 C ATOM 0 H LEU A 80 -3.119 -0.433 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.583 2.133 -5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.560 2.189 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.160 1.559 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.078 -0.754 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.935 -1.025 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.763 -0.020 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.798 0.743 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.051 -1.033 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.996 0.735 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.424 -0.035 -1.720 1.00 0.00 H new ATOM 1206 N THR A 81 -2.457 3.360 -5.887 1.00 0.00 N ATOM 1207 CA THR A 81 -1.217 4.078 -6.157 1.00 0.00 C ATOM 1208 C THR A 81 -0.524 4.470 -4.858 1.00 0.00 C ATOM 1209 O THR A 81 -1.149 5.024 -3.954 1.00 0.00 O ATOM 1210 CB THR A 81 -1.496 5.325 -6.998 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.524 5.076 -7.940 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.284 5.816 -7.760 1.00 0.00 C ATOM 0 H THR A 81 -3.304 3.880 -6.116 1.00 0.00 H new ATOM 0 HA THR A 81 -0.556 3.415 -6.715 1.00 0.00 H new ATOM 0 HB THR A 81 -1.793 6.094 -6.284 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.788 5.918 -8.366 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.551 6.702 -8.336 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.511 6.065 -7.057 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.062 5.034 -8.437 1.00 0.00 H new ATOM 1220 N VAL A 82 0.771 4.182 -4.772 1.00 0.00 N ATOM 1221 CA VAL A 82 1.547 4.507 -3.582 1.00 0.00 C ATOM 1222 C VAL A 82 2.792 5.312 -3.937 1.00 0.00 C ATOM 1223 O VAL A 82 3.146 5.442 -5.109 1.00 0.00 O ATOM 1224 CB VAL A 82 1.970 3.236 -2.821 1.00 0.00 C ATOM 1225 CG1 VAL A 82 0.749 2.493 -2.300 1.00 0.00 C ATOM 1226 CG2 VAL A 82 2.811 2.334 -3.711 1.00 0.00 C ATOM 0 H VAL A 82 1.304 3.725 -5.512 1.00 0.00 H new ATOM 0 HA VAL A 82 0.902 5.107 -2.941 1.00 0.00 H new ATOM 0 HB VAL A 82 2.578 3.533 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.068 1.598 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.191 3.140 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.112 2.208 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.100 1.442 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.231 2.044 -4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.706 2.869 -4.029 1.00 0.00 H new ATOM 1236 N GLN A 83 3.454 5.848 -2.917 1.00 0.00 N ATOM 1237 CA GLN A 83 4.662 6.640 -3.119 1.00 0.00 C ATOM 1238 C GLN A 83 5.694 6.337 -2.038 1.00 0.00 C ATOM 1239 O GLN A 83 5.390 6.390 -0.846 1.00 0.00 O ATOM 1240 CB GLN A 83 4.324 8.132 -3.117 1.00 0.00 C ATOM 1241 CG GLN A 83 4.001 8.685 -4.494 1.00 0.00 C ATOM 1242 CD GLN A 83 3.950 10.200 -4.517 1.00 0.00 C ATOM 1243 OE1 GLN A 83 3.516 10.832 -3.553 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.394 10.791 -5.620 1.00 0.00 N ATOM 0 H GLN A 83 3.174 5.748 -1.941 1.00 0.00 H new ATOM 0 HA GLN A 83 5.087 6.374 -4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.473 8.302 -2.458 1.00 0.00 H new ATOM 0 HB3 GLN A 83 5.165 8.686 -2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.751 8.340 -5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 83 3.041 8.288 -4.825 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.745 10.228 -6.395 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.384 11.808 -5.693 1.00 0.00 H new ATOM 1253 N GLY A 84 6.912 6.015 -2.460 1.00 0.00 N ATOM 1254 CA GLY A 84 7.965 5.707 -1.511 1.00 0.00 C ATOM 1255 C GLY A 84 9.311 6.264 -1.932 1.00 0.00 C ATOM 1256 O GLY A 84 9.398 7.063 -2.866 1.00 0.00 O ATOM 0 H GLY A 84 7.188 5.962 -3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.698 6.111 -0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.043 4.626 -1.398 1.00 0.00 H new ATOM 1260 N ARG A 85 10.365 5.843 -1.239 1.00 0.00 N ATOM 1261 CA ARG A 85 11.716 6.302 -1.541 1.00 0.00 C ATOM 1262 C ARG A 85 12.753 5.272 -1.096 1.00 0.00 C ATOM 1263 O ARG A 85 13.200 5.287 0.050 1.00 0.00 O ATOM 1264 CB ARG A 85 11.984 7.644 -0.852 1.00 0.00 C ATOM 1265 CG ARG A 85 11.755 8.847 -1.753 1.00 0.00 C ATOM 1266 CD ARG A 85 12.763 9.952 -1.477 1.00 0.00 C ATOM 1267 NE ARG A 85 12.182 11.040 -0.694 1.00 0.00 N ATOM 1268 CZ ARG A 85 12.064 11.022 0.632 1.00 0.00 C ATOM 1269 NH1 ARG A 85 12.485 9.974 1.329 1.00 0.00 N ATOM 1270 NH2 ARG A 85 11.522 12.055 1.262 1.00 0.00 N ATOM 0 H ARG A 85 10.309 5.183 -0.463 1.00 0.00 H new ATOM 0 HA ARG A 85 11.799 6.431 -2.620 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.340 7.728 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.013 7.660 -0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.827 8.540 -2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.745 9.229 -1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.618 9.538 -0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.138 10.345 -2.422 1.00 0.00 H new ATOM 0 HE ARG A 85 11.846 11.863 -1.194 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.902 9.176 0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.392 9.966 2.345 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.196 12.862 0.731 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.431 12.042 2.278 1.00 0.00 H new ATOM 1284 N PRO A 86 13.148 4.358 -2.000 1.00 0.00 N ATOM 1285 CA PRO A 86 14.137 3.319 -1.690 1.00 0.00 C ATOM 1286 C PRO A 86 15.530 3.897 -1.448 1.00 0.00 C ATOM 1287 O PRO A 86 16.176 4.384 -2.377 1.00 0.00 O ATOM 1288 CB PRO A 86 14.137 2.436 -2.941 1.00 0.00 C ATOM 1289 CG PRO A 86 13.644 3.321 -4.033 1.00 0.00 C ATOM 1290 CD PRO A 86 12.666 4.264 -3.391 1.00 0.00 C ATOM 0 HA PRO A 86 13.886 2.783 -0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.136 2.059 -3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.490 1.568 -2.813 1.00 0.00 H new ATOM 0 HG2 PRO A 86 14.467 3.867 -4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 86 13.166 2.739 -4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 86 12.664 5.237 -3.882 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.647 3.880 -3.438 1.00 0.00 H new ATOM 1298 N PRO A 87 16.015 3.854 -0.193 1.00 0.00 N ATOM 1299 CA PRO A 87 17.340 4.380 0.157 1.00 0.00 C ATOM 1300 C PRO A 87 18.470 3.498 -0.362 1.00 0.00 C ATOM 1301 O PRO A 87 19.454 3.992 -0.913 1.00 0.00 O ATOM 1302 CB PRO A 87 17.324 4.385 1.686 1.00 0.00 C ATOM 1303 CG PRO A 87 16.369 3.305 2.056 1.00 0.00 C ATOM 1304 CD PRO A 87 15.317 3.294 0.980 1.00 0.00 C ATOM 0 HA PRO A 87 17.520 5.360 -0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 87 18.317 4.193 2.093 1.00 0.00 H new ATOM 0 HB3 PRO A 87 17.001 5.350 2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 87 16.875 2.341 2.117 1.00 0.00 H new ATOM 0 HG3 PRO A 87 15.925 3.495 3.033 1.00 0.00 H new ATOM 0 HD2 PRO A 87 14.953 2.285 0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 87 14.453 3.897 1.258 1.00 0.00 H new ATOM 1312 N GLY A 88 18.324 2.189 -0.181 1.00 0.00 N ATOM 1313 CA GLY A 88 19.341 1.259 -0.637 1.00 0.00 C ATOM 1314 C GLY A 88 18.875 0.412 -1.804 1.00 0.00 C ATOM 1315 O GLY A 88 19.017 -0.811 -1.788 1.00 0.00 O ATOM 0 H GLY A 88 17.520 1.756 0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 88 20.232 1.815 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 88 19.628 0.607 0.188 1.00 0.00 H new ATOM 1319 N SER A 89 18.317 1.062 -2.819 1.00 0.00 N ATOM 1320 CA SER A 89 17.828 0.362 -4.001 1.00 0.00 C ATOM 1321 C SER A 89 16.730 -0.630 -3.631 1.00 0.00 C ATOM 1322 O SER A 89 17.068 -1.765 -3.232 1.00 0.00 O ATOM 1323 CB SER A 89 18.977 -0.368 -4.699 1.00 0.00 C ATOM 1324 OG SER A 89 18.851 -0.289 -6.107 1.00 0.00 O ATOM 1325 OXT SER A 89 15.541 -0.264 -3.741 1.00 0.00 O ATOM 0 H SER A 89 18.192 2.074 -2.847 1.00 0.00 H new ATOM 0 HA SER A 89 17.409 1.102 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 89 19.928 0.066 -4.391 1.00 0.00 H new ATOM 0 HB3 SER A 89 18.989 -1.413 -4.390 1.00 0.00 H new ATOM 0 HG SER A 89 19.598 -0.762 -6.529 1.00 0.00 H new TER 1331 SER A 89