USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 753 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 HIS : no HE2:sc= -4.29! C(o=-5.2!,f=-7.9!) USER MOD Set 1.2: A 45 HIS :FLIP no HD1:sc= -0.89 F(o=-5.7,f=-5.2) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.456 X(o=-0.46,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 21 THR OG1 : rot -170:sc= -0.854 USER MOD Single : A 23 SER OG : rot -95:sc= 0.761 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -2.33! C(o=-2.3!,f=-2.6!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc=-0.000821 K(o=-0.00082,f=-1.1) USER MOD Single : A 39 SER OG : rot -44:sc= 1.07 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= -0.0198 (180deg=-0.288) USER MOD Single : A 47 LYS NZ :NH3+ 149:sc= -0.202 (180deg=-1.04) USER MOD Single : A 49 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.071) USER MOD Single : A 50 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.13) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -1.97! C(o=-2!,f=-3.6!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -150:sc= -3.36! (180deg=-4.6!) USER MOD Single : A 61 GLN : amide:sc= -0.734 K(o=-0.73,f=-2.8!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -5.37! C(o=-5.4!,f=-8.8!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 71.595 -3.184 -13.936 1.00 0.00 N ATOM 37 CA THR A 3 71.579 -3.498 -15.386 1.00 0.00 C ATOM 38 C THR A 3 72.073 -2.285 -16.182 1.00 0.00 C ATOM 39 O THR A 3 72.680 -1.380 -15.644 1.00 0.00 O ATOM 40 CB THR A 3 70.150 -3.902 -15.808 1.00 0.00 C ATOM 41 OG1 THR A 3 70.226 -4.972 -16.738 1.00 0.00 O ATOM 42 CG2 THR A 3 69.401 -2.726 -16.455 1.00 0.00 C ATOM 0 HA THR A 3 72.247 -4.334 -15.594 1.00 0.00 H new ATOM 0 HB THR A 3 69.603 -4.206 -14.915 1.00 0.00 H new ATOM 0 HG1 THR A 3 69.322 -5.235 -17.009 1.00 0.00 H new ATOM 0 HG21 THR A 3 68.399 -3.046 -16.740 1.00 0.00 H new ATOM 0 HG22 THR A 3 69.331 -1.903 -15.743 1.00 0.00 H new ATOM 0 HG23 THR A 3 69.942 -2.394 -17.341 1.00 0.00 H new ATOM 50 N LYS A 4 71.821 -2.264 -17.462 1.00 0.00 N ATOM 51 CA LYS A 4 72.274 -1.117 -18.296 1.00 0.00 C ATOM 52 C LYS A 4 71.959 0.202 -17.584 1.00 0.00 C ATOM 53 O LYS A 4 72.795 0.767 -16.907 1.00 0.00 O ATOM 54 CB LYS A 4 71.551 -1.152 -19.645 1.00 0.00 C ATOM 55 CG LYS A 4 72.346 -2.016 -20.626 1.00 0.00 C ATOM 56 CD LYS A 4 71.380 -2.750 -21.558 1.00 0.00 C ATOM 57 CE LYS A 4 71.347 -2.044 -22.915 1.00 0.00 C ATOM 58 NZ LYS A 4 69.938 -1.712 -23.267 1.00 0.00 N ATOM 0 H LYS A 4 71.319 -2.995 -17.967 1.00 0.00 H new ATOM 0 HA LYS A 4 73.350 -1.191 -18.454 1.00 0.00 H new ATOM 0 HB2 LYS A 4 70.546 -1.555 -19.521 1.00 0.00 H new ATOM 0 HB3 LYS A 4 71.443 -0.141 -20.038 1.00 0.00 H new ATOM 0 HG2 LYS A 4 73.026 -1.393 -21.207 1.00 0.00 H new ATOM 0 HG3 LYS A 4 72.959 -2.734 -20.081 1.00 0.00 H new ATOM 0 HD2 LYS A 4 71.694 -3.786 -21.682 1.00 0.00 H new ATOM 0 HD3 LYS A 4 70.381 -2.770 -21.122 1.00 0.00 H new ATOM 0 HE2 LYS A 4 71.948 -1.135 -22.879 1.00 0.00 H new ATOM 0 HE3 LYS A 4 71.783 -2.685 -23.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 69.914 -1.232 -24.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 69.377 -2.587 -23.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 69.537 -1.085 -22.540 1.00 0.00 H new ATOM 72 N GLU A 5 70.763 0.705 -17.741 1.00 0.00 N ATOM 73 CA GLU A 5 70.405 1.991 -17.087 1.00 0.00 C ATOM 74 C GLU A 5 69.826 1.734 -15.703 1.00 0.00 C ATOM 75 O GLU A 5 69.175 2.573 -15.116 1.00 0.00 O ATOM 76 CB GLU A 5 69.375 2.723 -17.936 1.00 0.00 C ATOM 77 CG GLU A 5 70.012 3.966 -18.562 1.00 0.00 C ATOM 78 CD GLU A 5 69.675 4.016 -20.053 1.00 0.00 C ATOM 79 OE1 GLU A 5 68.776 3.301 -20.462 1.00 0.00 O ATOM 80 OE2 GLU A 5 70.322 4.770 -20.761 1.00 0.00 O ATOM 0 H GLU A 5 70.020 0.278 -18.295 1.00 0.00 H new ATOM 0 HA GLU A 5 71.304 2.600 -16.990 1.00 0.00 H new ATOM 0 HB2 GLU A 5 68.998 2.063 -18.717 1.00 0.00 H new ATOM 0 HB3 GLU A 5 68.521 3.010 -17.322 1.00 0.00 H new ATOM 0 HG2 GLU A 5 69.646 4.865 -18.065 1.00 0.00 H new ATOM 0 HG3 GLU A 5 71.093 3.943 -18.423 1.00 0.00 H new ATOM 87 N GLU A 6 70.075 0.582 -15.183 1.00 0.00 N ATOM 88 CA GLU A 6 69.563 0.243 -13.831 1.00 0.00 C ATOM 89 C GLU A 6 70.553 0.713 -12.776 1.00 0.00 C ATOM 90 O GLU A 6 70.388 0.495 -11.593 1.00 0.00 O ATOM 91 CB GLU A 6 69.384 -1.263 -13.722 1.00 0.00 C ATOM 92 CG GLU A 6 67.976 -1.648 -14.181 1.00 0.00 C ATOM 93 CD GLU A 6 66.958 -1.220 -13.123 1.00 0.00 C ATOM 94 OE1 GLU A 6 66.785 -1.956 -12.165 1.00 0.00 O ATOM 95 OE2 GLU A 6 66.370 -0.165 -13.287 1.00 0.00 O ATOM 0 H GLU A 6 70.617 -0.154 -15.636 1.00 0.00 H new ATOM 0 HA GLU A 6 68.605 0.738 -13.672 1.00 0.00 H new ATOM 0 HB2 GLU A 6 70.129 -1.773 -14.333 1.00 0.00 H new ATOM 0 HB3 GLU A 6 69.542 -1.584 -12.693 1.00 0.00 H new ATOM 0 HG2 GLU A 6 67.749 -1.169 -15.134 1.00 0.00 H new ATOM 0 HG3 GLU A 6 67.917 -2.724 -14.343 1.00 0.00 H new ATOM 102 N LYS A 7 71.576 1.358 -13.217 1.00 0.00 N ATOM 103 CA LYS A 7 72.612 1.872 -12.289 1.00 0.00 C ATOM 104 C LYS A 7 72.815 3.369 -12.528 1.00 0.00 C ATOM 105 O LYS A 7 73.129 4.116 -11.624 1.00 0.00 O ATOM 106 CB LYS A 7 73.928 1.133 -12.532 1.00 0.00 C ATOM 107 CG LYS A 7 74.421 1.421 -13.952 1.00 0.00 C ATOM 108 CD LYS A 7 75.307 2.668 -13.941 1.00 0.00 C ATOM 109 CE LYS A 7 76.722 2.295 -14.390 1.00 0.00 C ATOM 110 NZ LYS A 7 77.290 3.399 -15.215 1.00 0.00 N ATOM 0 H LYS A 7 71.748 1.559 -14.202 1.00 0.00 H new ATOM 0 HA LYS A 7 72.290 1.709 -11.260 1.00 0.00 H new ATOM 0 HB2 LYS A 7 74.675 1.451 -11.805 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.786 0.061 -12.395 1.00 0.00 H new ATOM 0 HG2 LYS A 7 74.981 0.567 -14.334 1.00 0.00 H new ATOM 0 HG3 LYS A 7 73.573 1.571 -14.620 1.00 0.00 H new ATOM 0 HD2 LYS A 7 74.892 3.427 -14.604 1.00 0.00 H new ATOM 0 HD3 LYS A 7 75.334 3.099 -12.940 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.355 2.114 -13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.700 1.370 -14.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 78.251 3.145 -15.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 76.691 3.551 -16.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 77.325 4.272 -14.650 1.00 0.00 H new ATOM 124 N GLN A 8 72.640 3.811 -13.743 1.00 0.00 N ATOM 125 CA GLN A 8 72.822 5.259 -14.044 1.00 0.00 C ATOM 126 C GLN A 8 71.958 6.094 -13.095 1.00 0.00 C ATOM 127 O GLN A 8 72.345 7.162 -12.666 1.00 0.00 O ATOM 128 CB GLN A 8 72.403 5.534 -15.490 1.00 0.00 C ATOM 129 CG GLN A 8 73.485 5.023 -16.443 1.00 0.00 C ATOM 130 CD GLN A 8 73.727 6.059 -17.543 1.00 0.00 C ATOM 131 OE1 GLN A 8 74.433 7.026 -17.339 1.00 0.00 O ATOM 132 NE2 GLN A 8 73.167 5.895 -18.711 1.00 0.00 N ATOM 0 H GLN A 8 72.379 3.232 -14.541 1.00 0.00 H new ATOM 0 HA GLN A 8 73.870 5.528 -13.910 1.00 0.00 H new ATOM 0 HB2 GLN A 8 71.454 5.043 -15.704 1.00 0.00 H new ATOM 0 HB3 GLN A 8 72.249 6.603 -15.638 1.00 0.00 H new ATOM 0 HG2 GLN A 8 74.409 4.836 -15.895 1.00 0.00 H new ATOM 0 HG3 GLN A 8 73.178 4.074 -16.883 1.00 0.00 H new ATOM 0 HE21 GLN A 8 72.574 5.083 -18.883 1.00 0.00 H new ATOM 0 HE22 GLN A 8 73.323 6.579 -19.452 1.00 0.00 H new ATOM 141 N LYS A 9 70.787 5.618 -12.769 1.00 0.00 N ATOM 142 CA LYS A 9 69.900 6.385 -11.855 1.00 0.00 C ATOM 143 C LYS A 9 70.416 6.275 -10.418 1.00 0.00 C ATOM 144 O LYS A 9 70.200 7.150 -9.604 1.00 0.00 O ATOM 145 CB LYS A 9 68.480 5.819 -11.932 1.00 0.00 C ATOM 146 CG LYS A 9 67.672 6.607 -12.967 1.00 0.00 C ATOM 147 CD LYS A 9 68.222 6.325 -14.365 1.00 0.00 C ATOM 148 CE LYS A 9 67.239 6.847 -15.416 1.00 0.00 C ATOM 149 NZ LYS A 9 67.992 7.305 -16.617 1.00 0.00 N ATOM 0 H LYS A 9 70.408 4.730 -13.098 1.00 0.00 H new ATOM 0 HA LYS A 9 69.894 7.433 -12.155 1.00 0.00 H new ATOM 0 HB2 LYS A 9 68.512 4.764 -12.206 1.00 0.00 H new ATOM 0 HB3 LYS A 9 67.999 5.881 -10.956 1.00 0.00 H new ATOM 0 HG2 LYS A 9 66.620 6.325 -12.915 1.00 0.00 H new ATOM 0 HG3 LYS A 9 67.727 7.674 -12.751 1.00 0.00 H new ATOM 0 HD2 LYS A 9 69.192 6.805 -14.489 1.00 0.00 H new ATOM 0 HD3 LYS A 9 68.377 5.254 -14.497 1.00 0.00 H new ATOM 0 HE2 LYS A 9 66.535 6.062 -15.693 1.00 0.00 H new ATOM 0 HE3 LYS A 9 66.654 7.670 -15.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 67.324 7.660 -17.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 68.647 8.067 -16.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 68.532 6.509 -17.013 1.00 0.00 H new ATOM 163 N VAL A 10 71.094 5.207 -10.099 1.00 0.00 N ATOM 164 CA VAL A 10 71.619 5.043 -8.716 1.00 0.00 C ATOM 165 C VAL A 10 72.614 6.162 -8.412 1.00 0.00 C ATOM 166 O VAL A 10 72.479 6.882 -7.443 1.00 0.00 O ATOM 167 CB VAL A 10 72.319 3.688 -8.593 1.00 0.00 C ATOM 168 CG1 VAL A 10 73.111 3.640 -7.285 1.00 0.00 C ATOM 169 CG2 VAL A 10 71.272 2.572 -8.596 1.00 0.00 C ATOM 0 H VAL A 10 71.307 4.441 -10.738 1.00 0.00 H new ATOM 0 HA VAL A 10 70.793 5.090 -8.006 1.00 0.00 H new ATOM 0 HB VAL A 10 72.998 3.552 -9.434 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.610 2.675 -7.197 1.00 0.00 H new ATOM 0 HG12 VAL A 10 73.856 4.435 -7.282 1.00 0.00 H new ATOM 0 HG13 VAL A 10 72.432 3.776 -6.443 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.770 1.606 -8.508 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.593 2.708 -7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.707 2.606 -9.527 1.00 0.00 H new ATOM 179 N ILE A 11 73.612 6.310 -9.234 1.00 0.00 N ATOM 180 CA ILE A 11 74.620 7.377 -8.998 1.00 0.00 C ATOM 181 C ILE A 11 73.995 8.726 -9.306 1.00 0.00 C ATOM 182 O ILE A 11 74.127 9.681 -8.571 1.00 0.00 O ATOM 183 CB ILE A 11 75.852 7.136 -9.884 1.00 0.00 C ATOM 184 CG1 ILE A 11 75.761 7.861 -11.243 1.00 0.00 C ATOM 185 CG2 ILE A 11 76.028 5.638 -10.120 1.00 0.00 C ATOM 186 CD1 ILE A 11 74.871 7.077 -12.199 1.00 0.00 C ATOM 0 H ILE A 11 73.774 5.736 -10.062 1.00 0.00 H new ATOM 0 HA ILE A 11 74.940 7.362 -7.956 1.00 0.00 H new ATOM 0 HB ILE A 11 76.712 7.545 -9.355 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.360 8.865 -11.102 1.00 0.00 H new ATOM 0 HG13 ILE A 11 76.757 7.973 -11.671 1.00 0.00 H new ATOM 0 HG21 ILE A 11 76.902 5.469 -10.749 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.165 5.133 -9.164 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.142 5.241 -10.616 1.00 0.00 H new ATOM 0 HD11 ILE A 11 74.815 7.599 -13.154 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.290 6.082 -12.353 1.00 0.00 H new ATOM 0 HD13 ILE A 11 73.871 6.988 -11.775 1.00 0.00 H new ATOM 198 N GLN A 12 73.320 8.790 -10.404 1.00 0.00 N ATOM 199 CA GLN A 12 72.650 10.058 -10.822 1.00 0.00 C ATOM 200 C GLN A 12 72.086 10.735 -9.577 1.00 0.00 C ATOM 201 O GLN A 12 72.092 11.943 -9.444 1.00 0.00 O ATOM 202 CB GLN A 12 71.511 9.742 -11.794 1.00 0.00 C ATOM 203 CG GLN A 12 71.987 9.968 -13.231 1.00 0.00 C ATOM 204 CD GLN A 12 70.803 10.392 -14.100 1.00 0.00 C ATOM 205 OE1 GLN A 12 70.625 11.563 -14.376 1.00 0.00 O ATOM 206 NE2 GLN A 12 69.978 9.485 -14.548 1.00 0.00 N ATOM 0 H GLN A 12 73.196 8.009 -11.048 1.00 0.00 H new ATOM 0 HA GLN A 12 73.365 10.715 -11.317 1.00 0.00 H new ATOM 0 HB2 GLN A 12 71.186 8.710 -11.666 1.00 0.00 H new ATOM 0 HB3 GLN A 12 70.651 10.376 -11.581 1.00 0.00 H new ATOM 0 HG2 GLN A 12 72.761 10.735 -13.253 1.00 0.00 H new ATOM 0 HG3 GLN A 12 72.433 9.055 -13.626 1.00 0.00 H new ATOM 0 HE21 GLN A 12 70.126 8.502 -14.317 1.00 0.00 H new ATOM 0 HE22 GLN A 12 69.185 9.759 -15.129 1.00 0.00 H new ATOM 215 N GLU A 13 71.629 9.944 -8.648 1.00 0.00 N ATOM 216 CA GLU A 13 71.094 10.498 -7.385 1.00 0.00 C ATOM 217 C GLU A 13 72.239 10.588 -6.378 1.00 0.00 C ATOM 218 O GLU A 13 72.340 11.526 -5.611 1.00 0.00 O ATOM 219 CB GLU A 13 70.000 9.575 -6.844 1.00 0.00 C ATOM 220 CG GLU A 13 69.028 10.387 -5.989 1.00 0.00 C ATOM 221 CD GLU A 13 67.607 9.855 -6.186 1.00 0.00 C ATOM 222 OE1 GLU A 13 67.025 10.145 -7.218 1.00 0.00 O ATOM 223 OE2 GLU A 13 67.126 9.166 -5.301 1.00 0.00 O ATOM 0 H GLU A 13 71.605 8.927 -8.715 1.00 0.00 H new ATOM 0 HA GLU A 13 70.668 11.486 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 13 69.468 9.101 -7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.444 8.776 -6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 13 69.310 10.322 -4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 13 69.075 11.440 -6.267 1.00 0.00 H new ATOM 230 N PHE A 14 73.108 9.611 -6.384 1.00 0.00 N ATOM 231 CA PHE A 14 74.255 9.615 -5.447 1.00 0.00 C ATOM 232 C PHE A 14 75.437 10.356 -6.075 1.00 0.00 C ATOM 233 O PHE A 14 75.815 11.424 -5.635 1.00 0.00 O ATOM 234 CB PHE A 14 74.662 8.173 -5.145 1.00 0.00 C ATOM 235 CG PHE A 14 73.684 7.568 -4.166 1.00 0.00 C ATOM 236 CD1 PHE A 14 73.541 8.121 -2.889 1.00 0.00 C ATOM 237 CD2 PHE A 14 72.919 6.455 -4.538 1.00 0.00 C ATOM 238 CE1 PHE A 14 72.632 7.562 -1.981 1.00 0.00 C ATOM 239 CE2 PHE A 14 72.011 5.897 -3.631 1.00 0.00 C ATOM 240 CZ PHE A 14 71.868 6.449 -2.353 1.00 0.00 C ATOM 0 H PHE A 14 73.066 8.805 -7.007 1.00 0.00 H new ATOM 0 HA PHE A 14 73.966 10.119 -4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.680 7.589 -6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.670 8.147 -4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 14 74.131 8.979 -2.603 1.00 0.00 H new ATOM 0 HD2 PHE A 14 73.030 6.028 -5.524 1.00 0.00 H new ATOM 0 HE1 PHE A 14 72.521 7.989 -0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 14 71.420 5.040 -3.918 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.168 6.016 -1.653 1.00 0.00 H new ATOM 250 N ALA A 15 76.026 9.801 -7.100 1.00 0.00 N ATOM 251 CA ALA A 15 77.182 10.478 -7.747 1.00 0.00 C ATOM 252 C ALA A 15 76.740 11.825 -8.312 1.00 0.00 C ATOM 253 O ALA A 15 75.853 11.901 -9.140 1.00 0.00 O ATOM 254 CB ALA A 15 77.716 9.614 -8.890 1.00 0.00 C ATOM 0 H ALA A 15 75.756 8.909 -7.515 1.00 0.00 H new ATOM 0 HA ALA A 15 77.964 10.628 -7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 15 78.562 10.115 -9.360 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.038 8.649 -8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 15 76.929 9.461 -9.629 1.00 0.00 H new ATOM 260 N ARG A 16 77.358 12.890 -7.887 1.00 0.00 N ATOM 261 CA ARG A 16 76.975 14.224 -8.422 1.00 0.00 C ATOM 262 C ARG A 16 77.892 14.561 -9.590 1.00 0.00 C ATOM 263 O ARG A 16 78.174 15.709 -9.871 1.00 0.00 O ATOM 264 CB ARG A 16 77.116 15.284 -7.327 1.00 0.00 C ATOM 265 CG ARG A 16 78.391 15.024 -6.524 1.00 0.00 C ATOM 266 CD ARG A 16 78.045 14.245 -5.253 1.00 0.00 C ATOM 267 NE ARG A 16 77.206 15.095 -4.362 1.00 0.00 N ATOM 268 CZ ARG A 16 76.750 14.612 -3.239 1.00 0.00 C ATOM 269 NH1 ARG A 16 76.400 13.357 -3.163 1.00 0.00 N ATOM 270 NH2 ARG A 16 76.643 15.384 -2.193 1.00 0.00 N ATOM 0 H ARG A 16 78.108 12.895 -7.196 1.00 0.00 H new ATOM 0 HA ARG A 16 75.938 14.205 -8.758 1.00 0.00 H new ATOM 0 HB2 ARG A 16 77.150 16.279 -7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 16 76.248 15.259 -6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 16 79.104 14.460 -7.126 1.00 0.00 H new ATOM 0 HG3 ARG A 16 78.869 15.969 -6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 16 77.511 13.330 -5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 16 78.957 13.948 -4.736 1.00 0.00 H new ATOM 0 HE ARG A 16 76.988 16.055 -4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 16 76.483 12.754 -3.981 1.00 0.00 H new ATOM 0 HH12 ARG A 16 76.044 12.979 -2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 16 76.916 16.365 -2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 16 76.287 15.007 -1.315 1.00 0.00 H new ATOM 284 N PHE A 17 78.362 13.557 -10.271 1.00 0.00 N ATOM 285 CA PHE A 17 79.268 13.789 -11.427 1.00 0.00 C ATOM 286 C PHE A 17 79.339 12.510 -12.259 1.00 0.00 C ATOM 287 O PHE A 17 78.898 11.466 -11.822 1.00 0.00 O ATOM 288 CB PHE A 17 80.665 14.140 -10.905 1.00 0.00 C ATOM 289 CG PHE A 17 80.821 15.640 -10.829 1.00 0.00 C ATOM 290 CD1 PHE A 17 80.568 16.431 -11.956 1.00 0.00 C ATOM 291 CD2 PHE A 17 81.221 16.240 -9.630 1.00 0.00 C ATOM 292 CE1 PHE A 17 80.715 17.821 -11.883 1.00 0.00 C ATOM 293 CE2 PHE A 17 81.369 17.630 -9.556 1.00 0.00 C ATOM 294 CZ PHE A 17 81.115 18.422 -10.683 1.00 0.00 C ATOM 0 H PHE A 17 78.156 12.577 -10.075 1.00 0.00 H new ATOM 0 HA PHE A 17 78.894 14.608 -12.041 1.00 0.00 H new ATOM 0 HB2 PHE A 17 80.816 13.699 -9.920 1.00 0.00 H new ATOM 0 HB3 PHE A 17 81.425 13.719 -11.563 1.00 0.00 H new ATOM 0 HD1 PHE A 17 80.259 15.969 -12.882 1.00 0.00 H new ATOM 0 HD2 PHE A 17 81.416 15.630 -8.760 1.00 0.00 H new ATOM 0 HE1 PHE A 17 80.520 18.431 -12.753 1.00 0.00 H new ATOM 0 HE2 PHE A 17 81.679 18.092 -8.630 1.00 0.00 H new ATOM 0 HZ PHE A 17 81.227 19.495 -10.627 1.00 0.00 H new ATOM 304 N PRO A 18 79.908 12.624 -13.428 1.00 0.00 N ATOM 305 CA PRO A 18 80.068 11.479 -14.336 1.00 0.00 C ATOM 306 C PRO A 18 81.191 10.571 -13.829 1.00 0.00 C ATOM 307 O PRO A 18 81.506 9.560 -14.425 1.00 0.00 O ATOM 308 CB PRO A 18 80.426 12.130 -15.676 1.00 0.00 C ATOM 309 CG PRO A 18 80.984 13.533 -15.343 1.00 0.00 C ATOM 310 CD PRO A 18 80.445 13.897 -13.950 1.00 0.00 C ATOM 0 HA PRO A 18 79.182 10.849 -14.413 1.00 0.00 H new ATOM 0 HB2 PRO A 18 81.165 11.535 -16.212 1.00 0.00 H new ATOM 0 HB3 PRO A 18 79.549 12.203 -16.319 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.074 13.528 -15.348 1.00 0.00 H new ATOM 0 HG3 PRO A 18 80.665 14.264 -16.086 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.233 14.290 -13.308 1.00 0.00 H new ATOM 0 HD3 PRO A 18 79.671 14.662 -14.009 1.00 0.00 H new ATOM 318 N GLY A 19 81.789 10.925 -12.721 1.00 0.00 N ATOM 319 CA GLY A 19 82.882 10.090 -12.157 1.00 0.00 C ATOM 320 C GLY A 19 82.690 9.963 -10.642 1.00 0.00 C ATOM 321 O GLY A 19 83.499 9.372 -9.954 1.00 0.00 O ATOM 0 H GLY A 19 81.563 11.761 -12.183 1.00 0.00 H new ATOM 0 HA2 GLY A 19 82.878 9.103 -12.620 1.00 0.00 H new ATOM 0 HA3 GLY A 19 83.850 10.541 -12.376 1.00 0.00 H new ATOM 325 N ASP A 20 81.623 10.510 -10.112 1.00 0.00 N ATOM 326 CA ASP A 20 81.388 10.412 -8.648 1.00 0.00 C ATOM 327 C ASP A 20 80.574 9.160 -8.345 1.00 0.00 C ATOM 328 O ASP A 20 79.981 9.019 -7.295 1.00 0.00 O ATOM 329 CB ASP A 20 80.644 11.653 -8.153 1.00 0.00 C ATOM 330 CG ASP A 20 81.634 12.615 -7.494 1.00 0.00 C ATOM 331 OD1 ASP A 20 82.825 12.430 -7.685 1.00 0.00 O ATOM 332 OD2 ASP A 20 81.186 13.520 -6.810 1.00 0.00 O ATOM 0 H ASP A 20 80.909 11.018 -10.634 1.00 0.00 H new ATOM 0 HA ASP A 20 82.347 10.350 -8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 20 80.143 12.145 -8.986 1.00 0.00 H new ATOM 0 HB3 ASP A 20 79.871 11.366 -7.440 1.00 0.00 H new ATOM 337 N THR A 21 80.565 8.249 -9.263 1.00 0.00 N ATOM 338 CA THR A 21 79.819 6.973 -9.066 1.00 0.00 C ATOM 339 C THR A 21 80.756 5.956 -8.424 1.00 0.00 C ATOM 340 O THR A 21 80.331 5.016 -7.785 1.00 0.00 O ATOM 341 CB THR A 21 79.333 6.441 -10.417 1.00 0.00 C ATOM 342 OG1 THR A 21 79.053 5.053 -10.302 1.00 0.00 O ATOM 343 CG2 THR A 21 80.415 6.658 -11.473 1.00 0.00 C ATOM 0 H THR A 21 81.048 8.328 -10.158 1.00 0.00 H new ATOM 0 HA THR A 21 78.955 7.145 -8.423 1.00 0.00 H new ATOM 0 HB THR A 21 78.429 6.973 -10.714 1.00 0.00 H new ATOM 0 HG1 THR A 21 78.895 4.676 -11.193 1.00 0.00 H new ATOM 0 HG21 THR A 21 80.067 6.279 -12.434 1.00 0.00 H new ATOM 0 HG22 THR A 21 80.630 7.723 -11.560 1.00 0.00 H new ATOM 0 HG23 THR A 21 81.321 6.127 -11.180 1.00 0.00 H new ATOM 351 N GLY A 22 82.035 6.152 -8.580 1.00 0.00 N ATOM 352 CA GLY A 22 83.013 5.212 -7.969 1.00 0.00 C ATOM 353 C GLY A 22 83.449 5.767 -6.614 1.00 0.00 C ATOM 354 O GLY A 22 84.158 5.121 -5.866 1.00 0.00 O ATOM 0 H GLY A 22 82.445 6.924 -9.105 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.563 4.227 -7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.877 5.089 -8.622 1.00 0.00 H new ATOM 358 N SER A 23 83.029 6.961 -6.290 1.00 0.00 N ATOM 359 CA SER A 23 83.419 7.556 -4.980 1.00 0.00 C ATOM 360 C SER A 23 83.063 6.580 -3.856 1.00 0.00 C ATOM 361 O SER A 23 82.490 5.535 -4.090 1.00 0.00 O ATOM 362 CB SER A 23 82.665 8.871 -4.772 1.00 0.00 C ATOM 363 OG SER A 23 81.266 8.625 -4.828 1.00 0.00 O ATOM 0 H SER A 23 82.434 7.548 -6.875 1.00 0.00 H new ATOM 0 HA SER A 23 84.492 7.749 -4.971 1.00 0.00 H new ATOM 0 HB2 SER A 23 82.931 9.307 -3.809 1.00 0.00 H new ATOM 0 HB3 SER A 23 82.950 9.592 -5.538 1.00 0.00 H new ATOM 0 HG SER A 23 80.939 8.799 -5.736 1.00 0.00 H new ATOM 369 N THR A 24 83.396 6.912 -2.639 1.00 0.00 N ATOM 370 CA THR A 24 83.074 5.999 -1.507 1.00 0.00 C ATOM 371 C THR A 24 81.629 6.229 -1.060 1.00 0.00 C ATOM 372 O THR A 24 80.987 5.348 -0.526 1.00 0.00 O ATOM 373 CB THR A 24 84.019 6.278 -0.336 1.00 0.00 C ATOM 374 OG1 THR A 24 85.318 5.800 -0.654 1.00 0.00 O ATOM 375 CG2 THR A 24 83.501 5.566 0.914 1.00 0.00 C ATOM 0 H THR A 24 83.876 7.774 -2.380 1.00 0.00 H new ATOM 0 HA THR A 24 83.195 4.966 -1.832 1.00 0.00 H new ATOM 0 HB THR A 24 84.064 7.351 -0.149 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.925 5.979 0.094 1.00 0.00 H new ATOM 0 HG21 THR A 24 84.173 5.763 1.750 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.504 5.934 1.155 1.00 0.00 H new ATOM 0 HG23 THR A 24 83.457 4.493 0.729 1.00 0.00 H new ATOM 383 N GLU A 25 81.113 7.407 -1.274 1.00 0.00 N ATOM 384 CA GLU A 25 79.715 7.693 -0.863 1.00 0.00 C ATOM 385 C GLU A 25 78.755 6.877 -1.728 1.00 0.00 C ATOM 386 O GLU A 25 77.850 6.232 -1.236 1.00 0.00 O ATOM 387 CB GLU A 25 79.437 9.182 -1.063 1.00 0.00 C ATOM 388 CG GLU A 25 80.290 9.997 -0.090 1.00 0.00 C ATOM 389 CD GLU A 25 80.166 11.485 -0.424 1.00 0.00 C ATOM 390 OE1 GLU A 25 79.067 11.912 -0.738 1.00 0.00 O ATOM 391 OE2 GLU A 25 81.172 12.171 -0.360 1.00 0.00 O ATOM 0 H GLU A 25 81.602 8.184 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 25 79.574 7.426 0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 25 79.663 9.470 -2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.380 9.390 -0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.965 9.815 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 25 81.332 9.685 -0.154 1.00 0.00 H new ATOM 398 N VAL A 26 78.945 6.909 -3.016 1.00 0.00 N ATOM 399 CA VAL A 26 78.049 6.147 -3.927 1.00 0.00 C ATOM 400 C VAL A 26 78.074 4.660 -3.566 1.00 0.00 C ATOM 401 O VAL A 26 77.054 4.001 -3.560 1.00 0.00 O ATOM 402 CB VAL A 26 78.521 6.331 -5.370 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.716 5.414 -6.293 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.311 7.786 -5.787 1.00 0.00 C ATOM 0 H VAL A 26 79.687 7.433 -3.480 1.00 0.00 H new ATOM 0 HA VAL A 26 77.030 6.520 -3.822 1.00 0.00 H new ATOM 0 HB VAL A 26 79.579 6.078 -5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 26 78.053 5.546 -7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.863 4.376 -5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.658 5.666 -6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.646 7.922 -6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.253 8.036 -5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 26 78.884 8.439 -5.129 1.00 0.00 H new ATOM 414 N GLN A 27 79.226 4.121 -3.270 1.00 0.00 N ATOM 415 CA GLN A 27 79.285 2.677 -2.918 1.00 0.00 C ATOM 416 C GLN A 27 78.545 2.448 -1.605 1.00 0.00 C ATOM 417 O GLN A 27 77.774 1.522 -1.474 1.00 0.00 O ATOM 418 CB GLN A 27 80.743 2.228 -2.782 1.00 0.00 C ATOM 419 CG GLN A 27 81.477 3.145 -1.801 1.00 0.00 C ATOM 420 CD GLN A 27 82.920 2.662 -1.635 1.00 0.00 C ATOM 421 OE1 GLN A 27 83.723 2.790 -2.539 1.00 0.00 O ATOM 422 NE2 GLN A 27 83.284 2.106 -0.513 1.00 0.00 N ATOM 0 H GLN A 27 80.119 4.614 -3.257 1.00 0.00 H new ATOM 0 HA GLN A 27 78.812 2.093 -3.708 1.00 0.00 H new ATOM 0 HB2 GLN A 27 80.785 1.197 -2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 27 81.234 2.254 -3.755 1.00 0.00 H new ATOM 0 HG2 GLN A 27 81.465 4.171 -2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 27 80.969 3.145 -0.837 1.00 0.00 H new ATOM 0 HE21 GLN A 27 82.610 1.999 0.245 1.00 0.00 H new ATOM 0 HE22 GLN A 27 84.243 1.778 -0.394 1.00 0.00 H new ATOM 431 N VAL A 28 78.752 3.292 -0.636 1.00 0.00 N ATOM 432 CA VAL A 28 78.031 3.116 0.651 1.00 0.00 C ATOM 433 C VAL A 28 76.549 2.930 0.334 1.00 0.00 C ATOM 434 O VAL A 28 75.845 2.206 1.005 1.00 0.00 O ATOM 435 CB VAL A 28 78.232 4.360 1.521 1.00 0.00 C ATOM 436 CG1 VAL A 28 77.270 4.326 2.710 1.00 0.00 C ATOM 437 CG2 VAL A 28 79.674 4.391 2.035 1.00 0.00 C ATOM 0 H VAL A 28 79.385 4.091 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 28 78.410 2.249 1.193 1.00 0.00 H new ATOM 0 HB VAL A 28 78.033 5.251 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 28 77.419 5.214 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 28 76.243 4.305 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 28 77.462 3.435 3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.820 5.276 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.869 3.497 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 28 80.361 4.423 1.189 1.00 0.00 H new ATOM 447 N ALA A 29 76.071 3.564 -0.703 1.00 0.00 N ATOM 448 CA ALA A 29 74.644 3.397 -1.071 1.00 0.00 C ATOM 449 C ALA A 29 74.438 1.969 -1.561 1.00 0.00 C ATOM 450 O ALA A 29 73.485 1.307 -1.199 1.00 0.00 O ATOM 451 CB ALA A 29 74.274 4.384 -2.177 1.00 0.00 C ATOM 0 H ALA A 29 76.608 4.187 -1.306 1.00 0.00 H new ATOM 0 HA ALA A 29 74.010 3.591 -0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 29 73.225 4.256 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.438 5.403 -1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.895 4.198 -3.053 1.00 0.00 H new ATOM 457 N LEU A 30 75.335 1.477 -2.373 1.00 0.00 N ATOM 458 CA LEU A 30 75.195 0.088 -2.865 1.00 0.00 C ATOM 459 C LEU A 30 75.421 -0.869 -1.689 1.00 0.00 C ATOM 460 O LEU A 30 75.133 -2.047 -1.767 1.00 0.00 O ATOM 461 CB LEU A 30 76.221 -0.166 -3.983 1.00 0.00 C ATOM 462 CG LEU A 30 77.540 -0.692 -3.404 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.539 -2.221 -3.438 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.710 -0.166 -4.239 1.00 0.00 C ATOM 0 H LEU A 30 76.155 1.980 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 30 74.198 -0.075 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.818 -0.886 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.403 0.758 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 30 77.645 -0.351 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 30 78.477 -2.595 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.706 -2.598 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 30 77.433 -2.562 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.648 -0.540 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.604 -0.507 -5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.713 0.924 -4.216 1.00 0.00 H new ATOM 476 N LEU A 31 75.936 -0.363 -0.598 1.00 0.00 N ATOM 477 CA LEU A 31 76.181 -1.227 0.581 1.00 0.00 C ATOM 478 C LEU A 31 74.824 -1.640 1.159 1.00 0.00 C ATOM 479 O LEU A 31 74.659 -2.718 1.691 1.00 0.00 O ATOM 480 CB LEU A 31 77.007 -0.443 1.623 1.00 0.00 C ATOM 481 CG LEU A 31 76.081 0.240 2.630 1.00 0.00 C ATOM 482 CD1 LEU A 31 75.696 -0.757 3.725 1.00 0.00 C ATOM 483 CD2 LEU A 31 76.792 1.437 3.261 1.00 0.00 C ATOM 0 H LEU A 31 76.196 0.616 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 31 76.742 -2.119 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 31 77.685 -1.120 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 31 77.624 0.303 1.122 1.00 0.00 H new ATOM 0 HG LEU A 31 75.184 0.585 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 31 75.036 -0.271 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 31 75.182 -1.608 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 31 76.595 -1.103 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 31 76.127 1.919 3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 31 77.692 1.097 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 31 77.065 2.150 2.483 1.00 0.00 H new ATOM 495 N THR A 32 73.856 -0.770 1.053 1.00 0.00 N ATOM 496 CA THR A 32 72.502 -1.073 1.586 1.00 0.00 C ATOM 497 C THR A 32 71.799 -2.061 0.646 1.00 0.00 C ATOM 498 O THR A 32 71.114 -2.966 1.080 1.00 0.00 O ATOM 499 CB THR A 32 71.715 0.252 1.709 1.00 0.00 C ATOM 500 OG1 THR A 32 71.169 0.349 3.017 1.00 0.00 O ATOM 501 CG2 THR A 32 70.577 0.328 0.682 1.00 0.00 C ATOM 0 H THR A 32 73.949 0.146 0.615 1.00 0.00 H new ATOM 0 HA THR A 32 72.564 -1.534 2.572 1.00 0.00 H new ATOM 0 HB THR A 32 72.402 1.076 1.517 1.00 0.00 H new ATOM 0 HG1 THR A 32 70.670 1.188 3.102 1.00 0.00 H new ATOM 0 HG21 THR A 32 70.045 1.272 0.797 1.00 0.00 H new ATOM 0 HG22 THR A 32 70.990 0.265 -0.325 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.886 -0.499 0.843 1.00 0.00 H new ATOM 509 N LEU A 33 71.964 -1.890 -0.637 1.00 0.00 N ATOM 510 CA LEU A 33 71.307 -2.813 -1.605 1.00 0.00 C ATOM 511 C LEU A 33 71.714 -4.257 -1.298 1.00 0.00 C ATOM 512 O LEU A 33 70.883 -5.104 -1.040 1.00 0.00 O ATOM 513 CB LEU A 33 71.745 -2.455 -3.026 1.00 0.00 C ATOM 514 CG LEU A 33 70.699 -1.541 -3.668 1.00 0.00 C ATOM 515 CD1 LEU A 33 71.371 -0.253 -4.146 1.00 0.00 C ATOM 516 CD2 LEU A 33 70.062 -2.256 -4.862 1.00 0.00 C ATOM 0 H LEU A 33 72.526 -1.150 -1.057 1.00 0.00 H new ATOM 0 HA LEU A 33 70.225 -2.715 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.714 -1.957 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 33 71.865 -3.361 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 33 69.929 -1.299 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 33 70.626 0.398 -4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 33 71.826 0.257 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 33 72.141 -0.495 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.317 -1.606 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 33 70.832 -2.498 -5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.583 -3.174 -4.523 1.00 0.00 H new ATOM 528 N ARG A 34 72.987 -4.543 -1.328 1.00 0.00 N ATOM 529 CA ARG A 34 73.448 -5.931 -1.044 1.00 0.00 C ATOM 530 C ARG A 34 72.928 -6.383 0.323 1.00 0.00 C ATOM 531 O ARG A 34 72.911 -7.558 0.634 1.00 0.00 O ATOM 532 CB ARG A 34 74.978 -5.971 -1.045 1.00 0.00 C ATOM 533 CG ARG A 34 75.473 -6.510 -2.389 1.00 0.00 C ATOM 534 CD ARG A 34 76.518 -5.554 -2.968 1.00 0.00 C ATOM 535 NE ARG A 34 76.431 -5.565 -4.455 1.00 0.00 N ATOM 536 CZ ARG A 34 77.508 -5.405 -5.174 1.00 0.00 C ATOM 537 NH1 ARG A 34 78.556 -6.151 -4.954 1.00 0.00 N ATOM 538 NH2 ARG A 34 77.539 -4.497 -6.111 1.00 0.00 N ATOM 0 H ARG A 34 73.728 -3.874 -1.537 1.00 0.00 H new ATOM 0 HA ARG A 34 73.064 -6.600 -1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.379 -4.972 -0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 34 75.337 -6.604 -0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 34 75.905 -7.502 -2.258 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.637 -6.615 -3.081 1.00 0.00 H new ATOM 0 HD2 ARG A 34 76.352 -4.545 -2.591 1.00 0.00 H new ATOM 0 HD3 ARG A 34 77.516 -5.853 -2.649 1.00 0.00 H new ATOM 0 HE ARG A 34 75.529 -5.698 -4.912 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.533 -6.859 -4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 34 79.398 -6.026 -5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 34 76.721 -3.912 -6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 34 78.381 -4.372 -6.673 1.00 0.00 H new ATOM 552 N ILE A 35 72.501 -5.462 1.144 1.00 0.00 N ATOM 553 CA ILE A 35 71.985 -5.831 2.480 1.00 0.00 C ATOM 554 C ILE A 35 70.553 -6.356 2.326 1.00 0.00 C ATOM 555 O ILE A 35 70.209 -7.416 2.809 1.00 0.00 O ATOM 556 CB ILE A 35 72.024 -4.571 3.364 1.00 0.00 C ATOM 557 CG1 ILE A 35 73.151 -4.704 4.385 1.00 0.00 C ATOM 558 CG2 ILE A 35 70.697 -4.369 4.095 1.00 0.00 C ATOM 559 CD1 ILE A 35 74.283 -3.749 4.006 1.00 0.00 C ATOM 0 H ILE A 35 72.490 -4.463 0.938 1.00 0.00 H new ATOM 0 HA ILE A 35 72.588 -6.612 2.943 1.00 0.00 H new ATOM 0 HB ILE A 35 72.198 -3.706 2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 35 72.782 -4.473 5.384 1.00 0.00 H new ATOM 0 HG13 ILE A 35 73.517 -5.730 4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 35 70.754 -3.472 4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 35 69.894 -4.258 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 35 70.496 -5.233 4.729 1.00 0.00 H new ATOM 0 HD11 ILE A 35 75.092 -3.838 4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 35 74.655 -4.002 3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.910 -2.725 4.003 1.00 0.00 H new ATOM 571 N ASN A 36 69.720 -5.604 1.664 1.00 0.00 N ATOM 572 CA ASN A 36 68.308 -6.033 1.474 1.00 0.00 C ATOM 573 C ASN A 36 68.262 -7.348 0.694 1.00 0.00 C ATOM 574 O ASN A 36 67.485 -8.232 1.000 1.00 0.00 O ATOM 575 CB ASN A 36 67.548 -4.954 0.699 1.00 0.00 C ATOM 576 CG ASN A 36 67.496 -3.669 1.529 1.00 0.00 C ATOM 577 OD1 ASN A 36 67.412 -3.717 2.739 1.00 0.00 O ATOM 578 ND2 ASN A 36 67.542 -2.513 0.924 1.00 0.00 N ATOM 0 H ASN A 36 69.958 -4.706 1.244 1.00 0.00 H new ATOM 0 HA ASN A 36 67.844 -6.180 2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 36 68.039 -4.763 -0.255 1.00 0.00 H new ATOM 0 HB3 ASN A 36 66.538 -5.296 0.475 1.00 0.00 H new ATOM 0 HD21 ASN A 36 67.507 -1.651 1.468 1.00 0.00 H new ATOM 0 HD22 ASN A 36 67.613 -2.472 -0.093 1.00 0.00 H new ATOM 585 N ARG A 37 69.080 -7.489 -0.315 1.00 0.00 N ATOM 586 CA ARG A 37 69.068 -8.750 -1.104 1.00 0.00 C ATOM 587 C ARG A 37 69.938 -9.801 -0.426 1.00 0.00 C ATOM 588 O ARG A 37 70.216 -10.851 -0.971 1.00 0.00 O ATOM 589 CB ARG A 37 69.584 -8.483 -2.517 1.00 0.00 C ATOM 590 CG ARG A 37 68.589 -9.037 -3.539 1.00 0.00 C ATOM 591 CD ARG A 37 68.791 -8.335 -4.884 1.00 0.00 C ATOM 592 NE ARG A 37 68.978 -9.355 -5.954 1.00 0.00 N ATOM 593 CZ ARG A 37 68.108 -9.454 -6.922 1.00 0.00 C ATOM 594 NH1 ARG A 37 67.493 -8.389 -7.358 1.00 0.00 N ATOM 595 NH2 ARG A 37 67.852 -10.618 -7.452 1.00 0.00 N ATOM 0 H ARG A 37 69.753 -6.787 -0.624 1.00 0.00 H new ATOM 0 HA ARG A 37 68.045 -9.121 -1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 37 69.719 -7.412 -2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 37 70.559 -8.950 -2.653 1.00 0.00 H new ATOM 0 HG2 ARG A 37 68.730 -10.112 -3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 37 67.568 -8.885 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 37 67.929 -7.707 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 37 69.660 -7.679 -4.837 1.00 0.00 H new ATOM 0 HE ARG A 37 69.787 -9.976 -5.930 1.00 0.00 H new ATOM 0 HH11 ARG A 37 67.692 -7.479 -6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 37 66.813 -8.466 -8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 37 68.332 -11.451 -7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 37 67.172 -10.696 -8.208 1.00 0.00 H new ATOM 609 N LEU A 38 70.350 -9.524 0.765 1.00 0.00 N ATOM 610 CA LEU A 38 71.189 -10.487 1.522 1.00 0.00 C ATOM 611 C LEU A 38 70.277 -11.389 2.351 1.00 0.00 C ATOM 612 O LEU A 38 70.631 -12.495 2.711 1.00 0.00 O ATOM 613 CB LEU A 38 72.137 -9.728 2.453 1.00 0.00 C ATOM 614 CG LEU A 38 73.561 -10.254 2.270 1.00 0.00 C ATOM 615 CD1 LEU A 38 73.558 -11.780 2.374 1.00 0.00 C ATOM 616 CD2 LEU A 38 74.087 -9.838 0.895 1.00 0.00 C ATOM 0 H LEU A 38 70.140 -8.657 1.260 1.00 0.00 H new ATOM 0 HA LEU A 38 71.777 -11.087 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 38 72.101 -8.661 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.823 -9.852 3.489 1.00 0.00 H new ATOM 0 HG LEU A 38 74.204 -9.838 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.573 -12.156 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 38 73.184 -12.077 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 38 72.915 -12.196 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.102 -10.213 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 38 73.444 -10.253 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 38 74.090 -8.751 0.820 1.00 0.00 H new ATOM 628 N SER A 39 69.102 -10.916 2.663 1.00 0.00 N ATOM 629 CA SER A 39 68.155 -11.728 3.473 1.00 0.00 C ATOM 630 C SER A 39 67.348 -12.645 2.551 1.00 0.00 C ATOM 631 O SER A 39 66.396 -13.276 2.967 1.00 0.00 O ATOM 632 CB SER A 39 67.207 -10.791 4.223 1.00 0.00 C ATOM 633 OG SER A 39 66.221 -11.562 4.898 1.00 0.00 O ATOM 0 H SER A 39 68.757 -9.996 2.389 1.00 0.00 H new ATOM 0 HA SER A 39 68.710 -12.336 4.187 1.00 0.00 H new ATOM 0 HB2 SER A 39 67.765 -10.187 4.938 1.00 0.00 H new ATOM 0 HB3 SER A 39 66.731 -10.102 3.525 1.00 0.00 H new ATOM 0 HG SER A 39 65.890 -12.265 4.301 1.00 0.00 H new ATOM 639 N GLU A 40 67.720 -12.725 1.303 1.00 0.00 N ATOM 640 CA GLU A 40 66.975 -13.600 0.358 1.00 0.00 C ATOM 641 C GLU A 40 67.829 -13.872 -0.873 1.00 0.00 C ATOM 642 O GLU A 40 67.335 -14.159 -1.945 1.00 0.00 O ATOM 643 CB GLU A 40 65.691 -12.907 -0.068 1.00 0.00 C ATOM 644 CG GLU A 40 64.484 -13.674 0.474 1.00 0.00 C ATOM 645 CD GLU A 40 63.366 -13.673 -0.571 1.00 0.00 C ATOM 646 OE1 GLU A 40 63.441 -12.874 -1.489 1.00 0.00 O ATOM 647 OE2 GLU A 40 62.453 -14.471 -0.434 1.00 0.00 O ATOM 0 H GLU A 40 68.509 -12.221 0.898 1.00 0.00 H new ATOM 0 HA GLU A 40 66.739 -14.543 0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 40 65.679 -11.882 0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 40 65.640 -12.852 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 40 64.769 -14.698 0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 40 64.133 -13.214 1.398 1.00 0.00 H new ATOM 654 N HIS A 41 69.105 -13.781 -0.714 1.00 0.00 N ATOM 655 CA HIS A 41 70.029 -14.027 -1.854 1.00 0.00 C ATOM 656 C HIS A 41 69.923 -15.488 -2.290 1.00 0.00 C ATOM 657 O HIS A 41 70.128 -15.821 -3.439 1.00 0.00 O ATOM 658 CB HIS A 41 71.464 -13.730 -1.418 1.00 0.00 C ATOM 659 CG HIS A 41 71.922 -14.780 -0.443 1.00 0.00 C ATOM 660 ND1 HIS A 41 71.611 -14.722 0.906 1.00 0.00 N ATOM 661 CD2 HIS A 41 72.672 -15.919 -0.605 1.00 0.00 C ATOM 662 CE1 HIS A 41 72.167 -15.796 1.497 1.00 0.00 C ATOM 663 NE2 HIS A 41 72.826 -16.558 0.621 1.00 0.00 N ATOM 0 H HIS A 41 69.562 -13.544 0.166 1.00 0.00 H new ATOM 0 HA HIS A 41 69.759 -13.378 -2.687 1.00 0.00 H new ATOM 0 HB2 HIS A 41 72.123 -13.713 -2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 41 71.518 -12.743 -0.958 1.00 0.00 H new ATOM 0 HD1 HIS A 41 71.061 -13.997 1.367 1.00 0.00 H new ATOM 0 HD2 HIS A 41 73.081 -16.266 -1.543 1.00 0.00 H new ATOM 0 HE1 HIS A 41 72.089 -16.015 2.552 1.00 0.00 H new ATOM 671 N LEU A 42 69.611 -16.362 -1.375 1.00 0.00 N ATOM 672 CA LEU A 42 69.493 -17.805 -1.717 1.00 0.00 C ATOM 673 C LEU A 42 68.308 -18.029 -2.664 1.00 0.00 C ATOM 674 O LEU A 42 68.093 -19.123 -3.148 1.00 0.00 O ATOM 675 CB LEU A 42 69.271 -18.605 -0.435 1.00 0.00 C ATOM 676 CG LEU A 42 70.088 -17.991 0.703 1.00 0.00 C ATOM 677 CD1 LEU A 42 69.145 -17.334 1.712 1.00 0.00 C ATOM 678 CD2 LEU A 42 70.896 -19.087 1.400 1.00 0.00 C ATOM 0 H LEU A 42 69.431 -16.136 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 42 70.408 -18.132 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.212 -18.608 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 42 69.565 -19.644 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 42 70.767 -17.240 0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 42 69.727 -16.897 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 42 68.569 -16.553 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 42 68.466 -18.084 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.478 -18.650 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 42 70.217 -19.838 1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.569 -19.555 0.682 1.00 0.00 H new ATOM 690 N LYS A 43 67.535 -17.009 -2.934 1.00 0.00 N ATOM 691 CA LYS A 43 66.369 -17.173 -3.849 1.00 0.00 C ATOM 692 C LYS A 43 66.819 -17.048 -5.303 1.00 0.00 C ATOM 693 O LYS A 43 66.030 -16.835 -6.202 1.00 0.00 O ATOM 694 CB LYS A 43 65.332 -16.098 -3.547 1.00 0.00 C ATOM 695 CG LYS A 43 64.117 -16.732 -2.868 1.00 0.00 C ATOM 696 CD LYS A 43 63.328 -17.551 -3.892 1.00 0.00 C ATOM 697 CE LYS A 43 61.911 -17.793 -3.371 1.00 0.00 C ATOM 698 NZ LYS A 43 61.701 -19.253 -3.159 1.00 0.00 N ATOM 0 H LYS A 43 67.662 -16.069 -2.559 1.00 0.00 H new ATOM 0 HA LYS A 43 65.933 -18.160 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 43 65.764 -15.333 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 43 65.028 -15.602 -4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 43 64.439 -17.371 -2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 43 63.482 -15.957 -2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 43 63.291 -17.023 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 43 63.827 -18.503 -4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 43 61.759 -17.254 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 43 61.180 -17.409 -4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 60.737 -19.417 -2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 61.829 -19.757 -4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 62.390 -19.606 -2.464 1.00 0.00 H new ATOM 712 N VAL A 44 68.080 -17.188 -5.523 1.00 0.00 N ATOM 713 CA VAL A 44 68.642 -17.097 -6.892 1.00 0.00 C ATOM 714 C VAL A 44 70.011 -17.777 -6.893 1.00 0.00 C ATOM 715 O VAL A 44 70.376 -18.473 -7.821 1.00 0.00 O ATOM 716 CB VAL A 44 68.790 -15.624 -7.278 1.00 0.00 C ATOM 717 CG1 VAL A 44 69.732 -15.494 -8.477 1.00 0.00 C ATOM 718 CG2 VAL A 44 67.418 -15.055 -7.644 1.00 0.00 C ATOM 0 H VAL A 44 68.770 -17.367 -4.794 1.00 0.00 H new ATOM 0 HA VAL A 44 67.985 -17.586 -7.611 1.00 0.00 H new ATOM 0 HB VAL A 44 69.204 -15.070 -6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 44 69.834 -14.443 -8.748 1.00 0.00 H new ATOM 0 HG12 VAL A 44 70.710 -15.898 -8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 44 69.324 -16.048 -9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 44 67.521 -14.005 -7.919 1.00 0.00 H new ATOM 0 HG22 VAL A 44 67.006 -15.612 -8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 44 66.748 -15.142 -6.788 1.00 0.00 H new ATOM 728 N HIS A 45 70.764 -17.587 -5.845 1.00 0.00 N ATOM 729 CA HIS A 45 72.106 -18.218 -5.747 1.00 0.00 C ATOM 730 C HIS A 45 72.015 -19.685 -6.174 1.00 0.00 C ATOM 731 O HIS A 45 71.306 -20.472 -5.578 1.00 0.00 O ATOM 732 CB HIS A 45 72.581 -18.131 -4.296 1.00 0.00 C ATOM 733 CG HIS A 45 73.362 -16.862 -4.097 1.00 0.00 C ATOM 734 ND1 HIS A 45 74.605 -16.622 -3.566 1.00 0.00 N flip ATOM 735 CD2 HIS A 45 72.864 -15.623 -4.469 1.00 0.00 C flip ATOM 736 CE1 HIS A 45 74.877 -15.258 -3.608 1.00 0.00 C flip ATOM 737 NE2 HIS A 45 73.795 -14.702 -4.161 1.00 0.00 N flip ATOM 0 H HIS A 45 70.501 -17.014 -5.043 1.00 0.00 H new ATOM 0 HA HIS A 45 72.810 -17.702 -6.400 1.00 0.00 H new ATOM 0 HB2 HIS A 45 71.726 -18.153 -3.621 1.00 0.00 H new ATOM 0 HB3 HIS A 45 73.201 -18.994 -4.053 1.00 0.00 H new ATOM 0 HD2 HIS A 45 71.903 -15.432 -4.924 1.00 0.00 H new ATOM 0 HE1 HIS A 45 75.771 -14.756 -3.267 1.00 0.00 H new ATOM 0 HE2 HIS A 45 73.688 -13.702 -4.329 1.00 0.00 H new ATOM 745 N LYS A 46 72.725 -20.057 -7.203 1.00 0.00 N ATOM 746 CA LYS A 46 72.679 -21.468 -7.670 1.00 0.00 C ATOM 747 C LYS A 46 73.504 -22.353 -6.731 1.00 0.00 C ATOM 748 O LYS A 46 73.628 -23.543 -6.936 1.00 0.00 O ATOM 749 CB LYS A 46 73.252 -21.554 -9.087 1.00 0.00 C ATOM 750 CG LYS A 46 72.287 -20.886 -10.068 1.00 0.00 C ATOM 751 CD LYS A 46 73.074 -20.315 -11.250 1.00 0.00 C ATOM 752 CE LYS A 46 72.100 -19.751 -12.286 1.00 0.00 C ATOM 753 NZ LYS A 46 71.396 -18.568 -11.712 1.00 0.00 N ATOM 0 H LYS A 46 73.336 -19.442 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 46 71.645 -21.813 -7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.225 -21.065 -9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.407 -22.596 -9.366 1.00 0.00 H new ATOM 0 HG2 LYS A 46 71.553 -21.610 -10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 46 71.735 -20.091 -9.567 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.750 -19.532 -10.906 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.690 -21.093 -11.700 1.00 0.00 H new ATOM 0 HE2 LYS A 46 72.638 -19.465 -13.189 1.00 0.00 H new ATOM 0 HE3 LYS A 46 71.377 -20.514 -12.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 70.933 -18.035 -12.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 70.680 -18.888 -11.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.084 -17.955 -11.230 1.00 0.00 H new ATOM 767 N LYS A 47 74.068 -21.781 -5.700 1.00 0.00 N ATOM 768 CA LYS A 47 74.880 -22.591 -4.752 1.00 0.00 C ATOM 769 C LYS A 47 75.357 -21.703 -3.602 1.00 0.00 C ATOM 770 O LYS A 47 76.498 -21.763 -3.190 1.00 0.00 O ATOM 771 CB LYS A 47 76.090 -23.174 -5.484 1.00 0.00 C ATOM 772 CG LYS A 47 76.774 -22.074 -6.299 1.00 0.00 C ATOM 773 CD LYS A 47 77.520 -22.699 -7.479 1.00 0.00 C ATOM 774 CE LYS A 47 78.684 -21.794 -7.886 1.00 0.00 C ATOM 775 NZ LYS A 47 79.677 -21.732 -6.775 1.00 0.00 N ATOM 0 H LYS A 47 74.000 -20.788 -5.476 1.00 0.00 H new ATOM 0 HA LYS A 47 74.271 -23.403 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 47 76.792 -23.599 -4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 47 75.775 -23.985 -6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.033 -21.361 -6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 47 77.469 -21.519 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 47 77.892 -23.686 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 47 76.841 -22.836 -8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 47 79.157 -22.177 -8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.318 -20.794 -8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.631 -21.601 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 79.448 -20.934 -6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 79.646 -22.618 -6.231 1.00 0.00 H new ATOM 789 N ASP A 48 74.490 -20.879 -3.077 1.00 0.00 N ATOM 790 CA ASP A 48 74.894 -19.989 -1.953 1.00 0.00 C ATOM 791 C ASP A 48 75.546 -20.825 -0.849 1.00 0.00 C ATOM 792 O ASP A 48 76.504 -20.411 -0.228 1.00 0.00 O ATOM 793 CB ASP A 48 73.658 -19.282 -1.394 1.00 0.00 C ATOM 794 CG ASP A 48 72.473 -20.250 -1.390 1.00 0.00 C ATOM 795 OD1 ASP A 48 72.463 -21.138 -0.553 1.00 0.00 O ATOM 796 OD2 ASP A 48 71.598 -20.088 -2.224 1.00 0.00 O ATOM 0 H ASP A 48 73.520 -20.785 -3.379 1.00 0.00 H new ATOM 0 HA ASP A 48 75.606 -19.247 -2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 48 73.855 -18.928 -0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 48 73.423 -18.406 -1.998 1.00 0.00 H new ATOM 801 N HIS A 49 75.033 -21.999 -0.601 1.00 0.00 N ATOM 802 CA HIS A 49 75.622 -22.860 0.463 1.00 0.00 C ATOM 803 C HIS A 49 75.293 -22.274 1.837 1.00 0.00 C ATOM 804 O HIS A 49 75.900 -22.620 2.831 1.00 0.00 O ATOM 805 CB HIS A 49 77.141 -22.927 0.283 1.00 0.00 C ATOM 806 CG HIS A 49 77.550 -24.345 -0.007 1.00 0.00 C ATOM 807 ND1 HIS A 49 78.497 -24.661 -0.969 1.00 0.00 N ATOM 808 CD2 HIS A 49 77.147 -25.543 0.529 1.00 0.00 C ATOM 809 CE1 HIS A 49 78.632 -25.999 -0.982 1.00 0.00 C ATOM 810 NE2 HIS A 49 77.832 -26.586 -0.088 1.00 0.00 N ATOM 0 H HIS A 49 74.232 -22.399 -1.089 1.00 0.00 H new ATOM 0 HA HIS A 49 75.204 -23.864 0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 49 77.450 -22.274 -0.533 1.00 0.00 H new ATOM 0 HB3 HIS A 49 77.641 -22.570 1.184 1.00 0.00 H new ATOM 0 HD2 HIS A 49 76.411 -25.659 1.310 1.00 0.00 H new ATOM 0 HE1 HIS A 49 79.305 -26.534 -1.636 1.00 0.00 H new ATOM 0 HE2 HIS A 49 77.742 -27.584 0.102 1.00 0.00 H new ATOM 818 N HIS A 50 74.337 -21.388 1.902 1.00 0.00 N ATOM 819 CA HIS A 50 73.970 -20.782 3.214 1.00 0.00 C ATOM 820 C HIS A 50 75.074 -19.838 3.662 1.00 0.00 C ATOM 821 O HIS A 50 75.242 -19.555 4.832 1.00 0.00 O ATOM 822 CB HIS A 50 73.803 -21.884 4.249 1.00 0.00 C ATOM 823 CG HIS A 50 72.385 -21.896 4.752 1.00 0.00 C ATOM 824 ND1 HIS A 50 72.073 -22.166 6.075 1.00 0.00 N ATOM 825 CD2 HIS A 50 71.187 -21.671 4.122 1.00 0.00 C ATOM 826 CE1 HIS A 50 70.734 -22.097 6.197 1.00 0.00 C ATOM 827 NE2 HIS A 50 70.146 -21.798 5.036 1.00 0.00 N ATOM 0 H HIS A 50 73.794 -21.058 1.104 1.00 0.00 H new ATOM 0 HA HIS A 50 73.036 -20.230 3.111 1.00 0.00 H new ATOM 0 HB2 HIS A 50 74.051 -22.850 3.809 1.00 0.00 H new ATOM 0 HB3 HIS A 50 74.492 -21.725 5.078 1.00 0.00 H new ATOM 0 HD2 HIS A 50 71.070 -21.432 3.075 1.00 0.00 H new ATOM 0 HE1 HIS A 50 70.200 -22.263 7.121 1.00 0.00 H new ATOM 0 HE2 HIS A 50 69.148 -21.687 4.858 1.00 0.00 H new ATOM 835 N SER A 51 75.823 -19.358 2.730 1.00 0.00 N ATOM 836 CA SER A 51 76.937 -18.424 3.058 1.00 0.00 C ATOM 837 C SER A 51 76.395 -17.242 3.865 1.00 0.00 C ATOM 838 O SER A 51 75.287 -17.273 4.363 1.00 0.00 O ATOM 839 CB SER A 51 77.568 -17.911 1.763 1.00 0.00 C ATOM 840 OG SER A 51 78.962 -17.722 1.963 1.00 0.00 O ATOM 0 H SER A 51 75.718 -19.570 1.738 1.00 0.00 H new ATOM 0 HA SER A 51 77.689 -18.949 3.647 1.00 0.00 H new ATOM 0 HB2 SER A 51 77.398 -18.623 0.955 1.00 0.00 H new ATOM 0 HB3 SER A 51 77.101 -16.972 1.464 1.00 0.00 H new ATOM 0 HG SER A 51 79.370 -17.395 1.134 1.00 0.00 H new ATOM 846 N HIS A 52 77.168 -16.199 3.998 1.00 0.00 N ATOM 847 CA HIS A 52 76.698 -15.017 4.771 1.00 0.00 C ATOM 848 C HIS A 52 77.798 -13.954 4.796 1.00 0.00 C ATOM 849 O HIS A 52 78.016 -13.294 5.791 1.00 0.00 O ATOM 850 CB HIS A 52 76.371 -15.442 6.202 1.00 0.00 C ATOM 851 CG HIS A 52 77.377 -16.458 6.666 1.00 0.00 C ATOM 852 ND1 HIS A 52 78.642 -16.553 6.110 1.00 0.00 N ATOM 853 CD2 HIS A 52 77.319 -17.430 7.635 1.00 0.00 C ATOM 854 CE1 HIS A 52 79.288 -17.550 6.741 1.00 0.00 C ATOM 855 NE2 HIS A 52 78.528 -18.118 7.679 1.00 0.00 N ATOM 0 H HIS A 52 78.105 -16.115 3.604 1.00 0.00 H new ATOM 0 HA HIS A 52 75.805 -14.606 4.299 1.00 0.00 H new ATOM 0 HB2 HIS A 52 76.383 -14.575 6.862 1.00 0.00 H new ATOM 0 HB3 HIS A 52 75.366 -15.862 6.247 1.00 0.00 H new ATOM 0 HD2 HIS A 52 76.466 -17.630 8.266 1.00 0.00 H new ATOM 0 HE1 HIS A 52 80.300 -17.854 6.516 1.00 0.00 H new ATOM 0 HE2 HIS A 52 78.779 -18.891 8.296 1.00 0.00 H new ATOM 863 N ARG A 53 78.492 -13.787 3.707 1.00 0.00 N ATOM 864 CA ARG A 53 79.579 -12.773 3.661 1.00 0.00 C ATOM 865 C ARG A 53 78.984 -11.371 3.809 1.00 0.00 C ATOM 866 O ARG A 53 79.691 -10.408 4.035 1.00 0.00 O ATOM 867 CB ARG A 53 80.314 -12.875 2.322 1.00 0.00 C ATOM 868 CG ARG A 53 79.292 -12.954 1.186 1.00 0.00 C ATOM 869 CD ARG A 53 79.986 -12.663 -0.146 1.00 0.00 C ATOM 870 NE ARG A 53 79.909 -13.868 -1.020 1.00 0.00 N ATOM 871 CZ ARG A 53 80.888 -14.144 -1.838 1.00 0.00 C ATOM 872 NH1 ARG A 53 81.917 -14.828 -1.416 1.00 0.00 N ATOM 873 NH2 ARG A 53 80.838 -13.737 -3.077 1.00 0.00 N ATOM 0 H ARG A 53 78.352 -14.311 2.843 1.00 0.00 H new ATOM 0 HA ARG A 53 80.278 -12.956 4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 53 80.962 -12.010 2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 53 80.954 -13.757 2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 53 78.835 -13.943 1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 53 78.489 -12.236 1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 53 79.512 -11.813 -0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 53 81.027 -12.391 0.026 1.00 0.00 H new ATOM 0 HE ARG A 53 79.092 -14.477 -0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 53 81.955 -15.146 -0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 53 82.682 -15.044 -2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 53 80.034 -13.203 -3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 53 81.603 -13.953 -3.716 1.00 0.00 H new ATOM 887 N GLY A 54 77.692 -11.246 3.683 1.00 0.00 N ATOM 888 CA GLY A 54 77.058 -9.904 3.815 1.00 0.00 C ATOM 889 C GLY A 54 76.025 -9.928 4.943 1.00 0.00 C ATOM 890 O GLY A 54 75.203 -9.042 5.063 1.00 0.00 O ATOM 0 H GLY A 54 77.048 -12.014 3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.819 -9.151 4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.579 -9.624 2.877 1.00 0.00 H new ATOM 894 N LEU A 55 76.059 -10.935 5.770 1.00 0.00 N ATOM 895 CA LEU A 55 75.078 -11.015 6.888 1.00 0.00 C ATOM 896 C LEU A 55 75.183 -9.759 7.754 1.00 0.00 C ATOM 897 O LEU A 55 75.697 -8.742 7.333 1.00 0.00 O ATOM 898 CB LEU A 55 75.374 -12.249 7.741 1.00 0.00 C ATOM 899 CG LEU A 55 74.152 -13.167 7.744 1.00 0.00 C ATOM 900 CD1 LEU A 55 72.978 -12.451 8.415 1.00 0.00 C ATOM 901 CD2 LEU A 55 73.777 -13.516 6.301 1.00 0.00 C ATOM 0 H LEU A 55 76.724 -11.707 5.720 1.00 0.00 H new ATOM 0 HA LEU A 55 74.070 -11.089 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 55 76.240 -12.779 7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 55 75.621 -11.950 8.760 1.00 0.00 H new ATOM 0 HG LEU A 55 74.383 -14.080 8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 55 72.106 -13.105 8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 55 73.245 -12.198 9.441 1.00 0.00 H new ATOM 0 HD13 LEU A 55 72.746 -11.539 7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 55 72.906 -14.171 6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 55 73.545 -12.602 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 55 74.613 -14.024 5.820 1.00 0.00 H new ATOM 913 N LEU A 56 74.695 -9.824 8.963 1.00 0.00 N ATOM 914 CA LEU A 56 74.762 -8.639 9.861 1.00 0.00 C ATOM 915 C LEU A 56 76.137 -7.986 9.747 1.00 0.00 C ATOM 916 O LEU A 56 76.286 -6.792 9.920 1.00 0.00 O ATOM 917 CB LEU A 56 74.525 -9.088 11.303 1.00 0.00 C ATOM 918 CG LEU A 56 73.031 -9.019 11.621 1.00 0.00 C ATOM 919 CD1 LEU A 56 72.701 -10.004 12.744 1.00 0.00 C ATOM 920 CD2 LEU A 56 72.670 -7.600 12.069 1.00 0.00 C ATOM 0 H LEU A 56 74.252 -10.649 9.367 1.00 0.00 H new ATOM 0 HA LEU A 56 73.998 -7.917 9.572 1.00 0.00 H new ATOM 0 HB2 LEU A 56 74.891 -10.105 11.443 1.00 0.00 H new ATOM 0 HB3 LEU A 56 75.083 -8.452 11.989 1.00 0.00 H new ATOM 0 HG LEU A 56 72.459 -9.278 10.730 1.00 0.00 H new ATOM 0 HD11 LEU A 56 71.636 -9.954 12.970 1.00 0.00 H new ATOM 0 HD12 LEU A 56 72.958 -11.015 12.428 1.00 0.00 H new ATOM 0 HD13 LEU A 56 73.274 -9.745 13.635 1.00 0.00 H new ATOM 0 HD21 LEU A 56 71.605 -7.550 12.296 1.00 0.00 H new ATOM 0 HD22 LEU A 56 73.243 -7.343 12.960 1.00 0.00 H new ATOM 0 HD23 LEU A 56 72.904 -6.896 11.271 1.00 0.00 H new ATOM 932 N MET A 57 77.139 -8.759 9.453 1.00 0.00 N ATOM 933 CA MET A 57 78.508 -8.186 9.321 1.00 0.00 C ATOM 934 C MET A 57 78.439 -6.910 8.481 1.00 0.00 C ATOM 935 O MET A 57 78.764 -5.833 8.940 1.00 0.00 O ATOM 936 CB MET A 57 79.423 -9.201 8.634 1.00 0.00 C ATOM 937 CG MET A 57 80.044 -10.123 9.684 1.00 0.00 C ATOM 938 SD MET A 57 81.790 -10.393 9.293 1.00 0.00 S ATOM 939 CE MET A 57 81.547 -11.675 8.039 1.00 0.00 C ATOM 0 H MET A 57 77.072 -9.765 9.298 1.00 0.00 H new ATOM 0 HA MET A 57 78.905 -7.954 10.309 1.00 0.00 H new ATOM 0 HB2 MET A 57 78.855 -9.787 7.911 1.00 0.00 H new ATOM 0 HB3 MET A 57 80.206 -8.684 8.080 1.00 0.00 H new ATOM 0 HG2 MET A 57 79.947 -9.680 10.675 1.00 0.00 H new ATOM 0 HG3 MET A 57 79.514 -11.075 9.707 1.00 0.00 H new ATOM 0 HE1 MET A 57 82.515 -11.995 7.653 1.00 0.00 H new ATOM 0 HE2 MET A 57 81.034 -12.527 8.485 1.00 0.00 H new ATOM 0 HE3 MET A 57 80.945 -11.276 7.223 1.00 0.00 H new ATOM 949 N MET A 58 78.014 -7.022 7.252 1.00 0.00 N ATOM 950 CA MET A 58 77.918 -5.819 6.383 1.00 0.00 C ATOM 951 C MET A 58 76.884 -4.853 6.964 1.00 0.00 C ATOM 952 O MET A 58 76.937 -3.662 6.734 1.00 0.00 O ATOM 953 CB MET A 58 77.489 -6.241 4.977 1.00 0.00 C ATOM 954 CG MET A 58 78.534 -5.773 3.962 1.00 0.00 C ATOM 955 SD MET A 58 77.698 -5.125 2.493 1.00 0.00 S ATOM 956 CE MET A 58 76.406 -6.386 2.390 1.00 0.00 C ATOM 0 H MET A 58 77.729 -7.897 6.813 1.00 0.00 H new ATOM 0 HA MET A 58 78.889 -5.326 6.334 1.00 0.00 H new ATOM 0 HB2 MET A 58 77.379 -7.324 4.929 1.00 0.00 H new ATOM 0 HB3 MET A 58 76.516 -5.811 4.738 1.00 0.00 H new ATOM 0 HG2 MET A 58 79.166 -5.003 4.404 1.00 0.00 H new ATOM 0 HG3 MET A 58 79.186 -6.602 3.687 1.00 0.00 H new ATOM 0 HE1 MET A 58 76.117 -6.526 1.349 1.00 0.00 H new ATOM 0 HE2 MET A 58 76.783 -7.327 2.792 1.00 0.00 H new ATOM 0 HE3 MET A 58 75.539 -6.066 2.968 1.00 0.00 H new ATOM 966 N VAL A 59 75.941 -5.358 7.713 1.00 0.00 N ATOM 967 CA VAL A 59 74.904 -4.471 8.305 1.00 0.00 C ATOM 968 C VAL A 59 75.555 -3.536 9.327 1.00 0.00 C ATOM 969 O VAL A 59 75.044 -2.474 9.624 1.00 0.00 O ATOM 970 CB VAL A 59 73.840 -5.323 8.998 1.00 0.00 C ATOM 971 CG1 VAL A 59 72.827 -4.410 9.690 1.00 0.00 C ATOM 972 CG2 VAL A 59 73.121 -6.187 7.958 1.00 0.00 C ATOM 0 H VAL A 59 75.846 -6.348 7.940 1.00 0.00 H new ATOM 0 HA VAL A 59 74.439 -3.879 7.517 1.00 0.00 H new ATOM 0 HB VAL A 59 74.315 -5.966 9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 59 72.068 -5.017 10.184 1.00 0.00 H new ATOM 0 HG12 VAL A 59 73.338 -3.795 10.430 1.00 0.00 H new ATOM 0 HG13 VAL A 59 72.351 -3.767 8.949 1.00 0.00 H new ATOM 0 HG21 VAL A 59 72.362 -6.795 8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 59 72.646 -5.544 7.217 1.00 0.00 H new ATOM 0 HG23 VAL A 59 73.842 -6.838 7.464 1.00 0.00 H new ATOM 982 N GLY A 60 76.679 -3.922 9.867 1.00 0.00 N ATOM 983 CA GLY A 60 77.361 -3.055 10.870 1.00 0.00 C ATOM 984 C GLY A 60 78.178 -1.981 10.149 1.00 0.00 C ATOM 985 O GLY A 60 78.943 -1.259 10.756 1.00 0.00 O ATOM 0 H GLY A 60 77.154 -4.800 9.657 1.00 0.00 H new ATOM 0 HA2 GLY A 60 76.624 -2.588 11.523 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.012 -3.657 11.504 1.00 0.00 H new ATOM 989 N GLN A 61 78.023 -1.870 8.858 1.00 0.00 N ATOM 990 CA GLN A 61 78.789 -0.847 8.101 1.00 0.00 C ATOM 991 C GLN A 61 77.976 0.435 8.007 1.00 0.00 C ATOM 992 O GLN A 61 78.181 1.265 7.144 1.00 0.00 O ATOM 993 CB GLN A 61 79.078 -1.364 6.699 1.00 0.00 C ATOM 994 CG GLN A 61 80.549 -1.770 6.591 1.00 0.00 C ATOM 995 CD GLN A 61 80.841 -2.898 7.582 1.00 0.00 C ATOM 996 OE1 GLN A 61 80.522 -4.043 7.331 1.00 0.00 O ATOM 997 NE2 GLN A 61 81.439 -2.620 8.708 1.00 0.00 N ATOM 0 H GLN A 61 77.397 -2.446 8.296 1.00 0.00 H new ATOM 0 HA GLN A 61 79.727 -0.645 8.617 1.00 0.00 H new ATOM 0 HB2 GLN A 61 78.438 -2.218 6.477 1.00 0.00 H new ATOM 0 HB3 GLN A 61 78.849 -0.594 5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 61 80.774 -2.096 5.576 1.00 0.00 H new ATOM 0 HG3 GLN A 61 81.190 -0.913 6.799 1.00 0.00 H new ATOM 0 HE21 GLN A 61 81.707 -1.659 8.919 1.00 0.00 H new ATOM 0 HE22 GLN A 61 81.638 -3.364 9.377 1.00 0.00 H new ATOM 1006 N ARG A 62 77.053 0.591 8.896 1.00 0.00 N ATOM 1007 CA ARG A 62 76.199 1.812 8.895 1.00 0.00 C ATOM 1008 C ARG A 62 76.028 2.322 10.325 1.00 0.00 C ATOM 1009 O ARG A 62 75.976 3.511 10.572 1.00 0.00 O ATOM 1010 CB ARG A 62 74.828 1.476 8.304 1.00 0.00 C ATOM 1011 CG ARG A 62 74.647 2.216 6.978 1.00 0.00 C ATOM 1012 CD ARG A 62 73.219 2.013 6.469 1.00 0.00 C ATOM 1013 NE ARG A 62 72.748 0.648 6.841 1.00 0.00 N ATOM 1014 CZ ARG A 62 71.479 0.432 7.059 1.00 0.00 C ATOM 1015 NH1 ARG A 62 70.588 0.854 6.202 1.00 0.00 N ATOM 1016 NH2 ARG A 62 71.100 -0.206 8.133 1.00 0.00 N ATOM 0 H ARG A 62 76.844 -0.079 9.636 1.00 0.00 H new ATOM 0 HA ARG A 62 76.675 2.585 8.292 1.00 0.00 H new ATOM 0 HB2 ARG A 62 74.742 0.401 8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 62 74.040 1.760 9.002 1.00 0.00 H new ATOM 0 HG2 ARG A 62 74.848 3.279 7.112 1.00 0.00 H new ATOM 0 HG3 ARG A 62 75.362 1.846 6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 62 72.558 2.767 6.897 1.00 0.00 H new ATOM 0 HD3 ARG A 62 73.186 2.138 5.387 1.00 0.00 H new ATOM 0 HE ARG A 62 73.417 -0.117 6.925 1.00 0.00 H new ATOM 0 HH11 ARG A 62 70.884 1.352 5.363 1.00 0.00 H new ATOM 0 HH12 ARG A 62 69.597 0.685 6.372 1.00 0.00 H new ATOM 0 HH21 ARG A 62 71.795 -0.536 8.802 1.00 0.00 H new ATOM 0 HH22 ARG A 62 70.108 -0.374 8.303 1.00 0.00 H new ATOM 1030 N ARG A 63 75.939 1.431 11.268 1.00 0.00 N ATOM 1031 CA ARG A 63 75.770 1.851 12.686 1.00 0.00 C ATOM 1032 C ARG A 63 76.989 2.660 13.134 1.00 0.00 C ATOM 1033 O ARG A 63 76.981 3.289 14.173 1.00 0.00 O ATOM 1034 CB ARG A 63 75.628 0.612 13.572 1.00 0.00 C ATOM 1035 CG ARG A 63 75.521 1.041 15.037 1.00 0.00 C ATOM 1036 CD ARG A 63 74.485 2.161 15.167 1.00 0.00 C ATOM 1037 NE ARG A 63 74.295 2.495 16.606 1.00 0.00 N ATOM 1038 CZ ARG A 63 74.818 3.585 17.099 1.00 0.00 C ATOM 1039 NH1 ARG A 63 76.040 3.570 17.559 1.00 0.00 N ATOM 1040 NH2 ARG A 63 74.122 4.687 17.131 1.00 0.00 N ATOM 0 H ARG A 63 75.976 0.423 11.118 1.00 0.00 H new ATOM 0 HA ARG A 63 74.875 2.468 12.774 1.00 0.00 H new ATOM 0 HB2 ARG A 63 74.743 0.045 13.283 1.00 0.00 H new ATOM 0 HB3 ARG A 63 76.487 -0.045 13.436 1.00 0.00 H new ATOM 0 HG2 ARG A 63 75.233 0.191 15.656 1.00 0.00 H new ATOM 0 HG3 ARG A 63 76.490 1.384 15.398 1.00 0.00 H new ATOM 0 HD2 ARG A 63 74.816 3.043 14.618 1.00 0.00 H new ATOM 0 HD3 ARG A 63 73.538 1.848 14.727 1.00 0.00 H new ATOM 0 HE ARG A 63 73.756 1.872 17.207 1.00 0.00 H new ATOM 0 HH11 ARG A 63 76.584 2.708 17.533 1.00 0.00 H new ATOM 0 HH12 ARG A 63 76.450 4.421 17.945 1.00 0.00 H new ATOM 0 HH21 ARG A 63 73.168 4.698 16.771 1.00 0.00 H new ATOM 0 HH22 ARG A 63 74.532 5.538 17.516 1.00 0.00 H new ATOM 1054 N ARG A 64 78.038 2.652 12.358 1.00 0.00 N ATOM 1055 CA ARG A 64 79.252 3.419 12.738 1.00 0.00 C ATOM 1056 C ARG A 64 80.108 3.670 11.495 1.00 0.00 C ATOM 1057 O ARG A 64 81.297 3.904 11.586 1.00 0.00 O ATOM 1058 CB ARG A 64 80.060 2.623 13.766 1.00 0.00 C ATOM 1059 CG ARG A 64 80.118 3.397 15.084 1.00 0.00 C ATOM 1060 CD ARG A 64 80.740 2.514 16.168 1.00 0.00 C ATOM 1061 NE ARG A 64 79.774 2.348 17.290 1.00 0.00 N ATOM 1062 CZ ARG A 64 79.756 1.238 17.976 1.00 0.00 C ATOM 1063 NH1 ARG A 64 80.621 1.049 18.935 1.00 0.00 N ATOM 1064 NH2 ARG A 64 78.872 0.317 17.704 1.00 0.00 N ATOM 0 H ARG A 64 78.104 2.145 11.475 1.00 0.00 H new ATOM 0 HA ARG A 64 78.956 4.374 13.172 1.00 0.00 H new ATOM 0 HB2 ARG A 64 79.603 1.647 13.926 1.00 0.00 H new ATOM 0 HB3 ARG A 64 81.068 2.445 13.392 1.00 0.00 H new ATOM 0 HG2 ARG A 64 80.706 4.306 14.959 1.00 0.00 H new ATOM 0 HG3 ARG A 64 79.116 3.705 15.382 1.00 0.00 H new ATOM 0 HD2 ARG A 64 81.002 1.541 15.753 1.00 0.00 H new ATOM 0 HD3 ARG A 64 81.663 2.964 16.533 1.00 0.00 H new ATOM 0 HE ARG A 64 79.127 3.102 17.522 1.00 0.00 H new ATOM 0 HH11 ARG A 64 81.311 1.769 19.148 1.00 0.00 H new ATOM 0 HH12 ARG A 64 80.607 0.181 19.471 1.00 0.00 H new ATOM 0 HH21 ARG A 64 78.195 0.465 16.955 1.00 0.00 H new ATOM 0 HH22 ARG A 64 78.858 -0.551 18.240 1.00 0.00 H new ATOM 1078 N LEU A 65 79.514 3.621 10.334 1.00 0.00 N ATOM 1079 CA LEU A 65 80.291 3.855 9.087 1.00 0.00 C ATOM 1080 C LEU A 65 80.846 5.281 9.089 1.00 0.00 C ATOM 1081 O LEU A 65 81.704 5.625 8.300 1.00 0.00 O ATOM 1082 CB LEU A 65 79.378 3.662 7.874 1.00 0.00 C ATOM 1083 CG LEU A 65 80.143 2.940 6.764 1.00 0.00 C ATOM 1084 CD1 LEU A 65 81.282 3.830 6.264 1.00 0.00 C ATOM 1085 CD2 LEU A 65 80.723 1.632 7.309 1.00 0.00 C ATOM 0 H LEU A 65 78.522 3.428 10.197 1.00 0.00 H new ATOM 0 HA LEU A 65 81.117 3.146 9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 65 78.498 3.085 8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 65 79.024 4.629 7.516 1.00 0.00 H new ATOM 0 HG LEU A 65 79.463 2.722 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 65 81.826 3.314 5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 65 80.872 4.762 5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 65 81.961 4.049 7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 65 81.268 1.118 6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 65 81.401 1.851 8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 65 79.913 0.995 7.664 1.00 0.00 H new ATOM 1097 N LEU A 66 80.359 6.117 9.966 1.00 0.00 N ATOM 1098 CA LEU A 66 80.855 7.519 10.015 1.00 0.00 C ATOM 1099 C LEU A 66 82.347 7.527 10.359 1.00 0.00 C ATOM 1100 O LEU A 66 83.085 8.401 9.949 1.00 0.00 O ATOM 1101 CB LEU A 66 80.085 8.293 11.088 1.00 0.00 C ATOM 1102 CG LEU A 66 79.875 7.398 12.310 1.00 0.00 C ATOM 1103 CD1 LEU A 66 80.221 8.178 13.581 1.00 0.00 C ATOM 1104 CD2 LEU A 66 78.412 6.953 12.370 1.00 0.00 C ATOM 0 H LEU A 66 79.638 5.888 10.651 1.00 0.00 H new ATOM 0 HA LEU A 66 80.705 7.989 9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 66 80.636 9.190 11.371 1.00 0.00 H new ATOM 0 HB3 LEU A 66 79.123 8.621 10.695 1.00 0.00 H new ATOM 0 HG LEU A 66 80.520 6.523 12.233 1.00 0.00 H new ATOM 0 HD11 LEU A 66 80.071 7.540 14.452 1.00 0.00 H new ATOM 0 HD12 LEU A 66 81.262 8.497 13.540 1.00 0.00 H new ATOM 0 HD13 LEU A 66 79.576 9.053 13.658 1.00 0.00 H new ATOM 0 HD21 LEU A 66 78.261 6.315 13.241 1.00 0.00 H new ATOM 0 HD22 LEU A 66 77.768 7.829 12.446 1.00 0.00 H new ATOM 0 HD23 LEU A 66 78.163 6.398 11.466 1.00 0.00 H new ATOM 1116 N ARG A 67 82.796 6.564 11.115 1.00 0.00 N ATOM 1117 CA ARG A 67 84.237 6.518 11.495 1.00 0.00 C ATOM 1118 C ARG A 67 85.111 6.570 10.238 1.00 0.00 C ATOM 1119 O ARG A 67 86.289 6.860 10.305 1.00 0.00 O ATOM 1120 CB ARG A 67 84.519 5.221 12.256 1.00 0.00 C ATOM 1121 CG ARG A 67 84.426 4.032 11.296 1.00 0.00 C ATOM 1122 CD ARG A 67 84.749 2.741 12.049 1.00 0.00 C ATOM 1123 NE ARG A 67 85.729 1.939 11.263 1.00 0.00 N ATOM 1124 CZ ARG A 67 86.011 0.717 11.624 1.00 0.00 C ATOM 1125 NH1 ARG A 67 85.097 -0.211 11.553 1.00 0.00 N ATOM 1126 NH2 ARG A 67 87.208 0.424 12.055 1.00 0.00 N ATOM 0 H ARG A 67 82.226 5.805 11.487 1.00 0.00 H new ATOM 0 HA ARG A 67 84.469 7.375 12.128 1.00 0.00 H new ATOM 0 HB2 ARG A 67 85.510 5.260 12.707 1.00 0.00 H new ATOM 0 HB3 ARG A 67 83.803 5.102 13.069 1.00 0.00 H new ATOM 0 HG2 ARG A 67 83.425 3.975 10.867 1.00 0.00 H new ATOM 0 HG3 ARG A 67 85.121 4.165 10.467 1.00 0.00 H new ATOM 0 HD2 ARG A 67 85.159 2.974 13.032 1.00 0.00 H new ATOM 0 HD3 ARG A 67 83.838 2.165 12.211 1.00 0.00 H new ATOM 0 HE ARG A 67 86.179 2.345 10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 67 84.162 0.019 11.215 1.00 0.00 H new ATOM 0 HH12 ARG A 67 85.317 -1.166 11.835 1.00 0.00 H new ATOM 0 HH21 ARG A 67 87.922 1.150 12.109 1.00 0.00 H new ATOM 0 HH22 ARG A 67 87.429 -0.531 12.337 1.00 0.00 H new ATOM 1140 N TYR A 68 84.551 6.288 9.094 1.00 0.00 N ATOM 1141 CA TYR A 68 85.355 6.317 7.846 1.00 0.00 C ATOM 1142 C TYR A 68 85.063 7.602 7.070 1.00 0.00 C ATOM 1143 O TYR A 68 85.835 8.541 7.089 1.00 0.00 O ATOM 1144 CB TYR A 68 84.996 5.108 6.980 1.00 0.00 C ATOM 1145 CG TYR A 68 86.248 4.325 6.664 1.00 0.00 C ATOM 1146 CD1 TYR A 68 87.272 4.916 5.913 1.00 0.00 C ATOM 1147 CD2 TYR A 68 86.385 3.010 7.123 1.00 0.00 C ATOM 1148 CE1 TYR A 68 88.432 4.191 5.620 1.00 0.00 C ATOM 1149 CE2 TYR A 68 87.546 2.284 6.829 1.00 0.00 C ATOM 1150 CZ TYR A 68 88.569 2.874 6.078 1.00 0.00 C ATOM 1151 OH TYR A 68 89.714 2.159 5.788 1.00 0.00 O ATOM 0 H TYR A 68 83.569 6.039 8.972 1.00 0.00 H new ATOM 0 HA TYR A 68 86.414 6.284 8.101 1.00 0.00 H new ATOM 0 HB2 TYR A 68 84.280 4.474 7.502 1.00 0.00 H new ATOM 0 HB3 TYR A 68 84.518 5.437 6.058 1.00 0.00 H new ATOM 0 HD1 TYR A 68 87.166 5.931 5.560 1.00 0.00 H new ATOM 0 HD2 TYR A 68 85.596 2.555 7.704 1.00 0.00 H new ATOM 0 HE1 TYR A 68 89.222 4.646 5.041 1.00 0.00 H new ATOM 0 HE2 TYR A 68 87.652 1.269 7.182 1.00 0.00 H new ATOM 0 HH TYR A 68 89.649 1.263 6.181 1.00 0.00 H new ATOM 1161 N LEU A 69 83.957 7.649 6.379 1.00 0.00 N ATOM 1162 CA LEU A 69 83.614 8.866 5.592 1.00 0.00 C ATOM 1163 C LEU A 69 83.409 10.054 6.533 1.00 0.00 C ATOM 1164 O LEU A 69 84.155 11.010 6.511 1.00 0.00 O ATOM 1165 CB LEU A 69 82.329 8.610 4.801 1.00 0.00 C ATOM 1166 CG LEU A 69 81.975 9.850 3.981 1.00 0.00 C ATOM 1167 CD1 LEU A 69 82.426 9.650 2.533 1.00 0.00 C ATOM 1168 CD2 LEU A 69 80.461 10.069 4.016 1.00 0.00 C ATOM 0 H LEU A 69 83.274 6.893 6.326 1.00 0.00 H new ATOM 0 HA LEU A 69 84.429 9.094 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 69 82.461 7.752 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 69 81.513 8.367 5.482 1.00 0.00 H new ATOM 0 HG LEU A 69 82.479 10.720 4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 69 82.174 10.534 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 69 83.504 9.493 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 69 81.922 8.780 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 69 80.208 10.953 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 69 79.958 9.199 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 69 80.138 10.211 5.047 1.00 0.00 H new ATOM 1180 N GLN A 70 82.402 10.004 7.359 1.00 0.00 N ATOM 1181 CA GLN A 70 82.150 11.129 8.297 1.00 0.00 C ATOM 1182 C GLN A 70 83.459 11.529 8.985 1.00 0.00 C ATOM 1183 O GLN A 70 83.615 12.638 9.456 1.00 0.00 O ATOM 1184 CB GLN A 70 81.146 10.678 9.357 1.00 0.00 C ATOM 1185 CG GLN A 70 81.034 11.748 10.441 1.00 0.00 C ATOM 1186 CD GLN A 70 82.151 11.555 11.468 1.00 0.00 C ATOM 1187 OE1 GLN A 70 82.909 10.608 11.388 1.00 0.00 O ATOM 1188 NE2 GLN A 70 82.288 12.419 12.436 1.00 0.00 N ATOM 0 H GLN A 70 81.741 9.229 7.424 1.00 0.00 H new ATOM 0 HA GLN A 70 81.754 11.982 7.745 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.172 10.505 8.900 1.00 0.00 H new ATOM 0 HB3 GLN A 70 81.465 9.733 9.796 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.103 12.740 9.995 1.00 0.00 H new ATOM 0 HG3 GLN A 70 80.062 11.685 10.930 1.00 0.00 H new ATOM 0 HE21 GLN A 70 81.652 13.214 12.504 1.00 0.00 H new ATOM 0 HE22 GLN A 70 83.031 12.300 13.125 1.00 0.00 H new ATOM 1197 N ARG A 71 84.392 10.620 9.064 1.00 0.00 N ATOM 1198 CA ARG A 71 85.683 10.921 9.740 1.00 0.00 C ATOM 1199 C ARG A 71 86.620 11.690 8.802 1.00 0.00 C ATOM 1200 O ARG A 71 87.328 12.585 9.220 1.00 0.00 O ATOM 1201 CB ARG A 71 86.353 9.610 10.155 1.00 0.00 C ATOM 1202 CG ARG A 71 85.963 9.271 11.595 1.00 0.00 C ATOM 1203 CD ARG A 71 86.427 10.392 12.526 1.00 0.00 C ATOM 1204 NE ARG A 71 87.217 9.812 13.649 1.00 0.00 N ATOM 1205 CZ ARG A 71 88.391 10.300 13.943 1.00 0.00 C ATOM 1206 NH1 ARG A 71 88.484 11.430 14.589 1.00 0.00 N ATOM 1207 NH2 ARG A 71 89.471 9.658 13.591 1.00 0.00 N ATOM 0 H ARG A 71 84.313 9.676 8.686 1.00 0.00 H new ATOM 0 HA ARG A 71 85.482 11.536 10.617 1.00 0.00 H new ATOM 0 HB2 ARG A 71 86.048 8.806 9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 71 87.436 9.701 10.072 1.00 0.00 H new ATOM 0 HG2 ARG A 71 84.883 9.145 11.670 1.00 0.00 H new ATOM 0 HG3 ARG A 71 86.416 8.325 11.893 1.00 0.00 H new ATOM 0 HD2 ARG A 71 87.033 11.110 11.974 1.00 0.00 H new ATOM 0 HD3 ARG A 71 85.566 10.935 12.916 1.00 0.00 H new ATOM 0 HE ARG A 71 86.840 9.033 14.188 1.00 0.00 H new ATOM 0 HH11 ARG A 71 87.639 11.931 14.864 1.00 0.00 H new ATOM 0 HH12 ARG A 71 89.401 11.812 14.819 1.00 0.00 H new ATOM 0 HH21 ARG A 71 89.398 8.775 13.086 1.00 0.00 H new ATOM 0 HH22 ARG A 71 90.389 10.039 13.821 1.00 0.00 H new ATOM 1221 N GLU A 72 86.643 11.348 7.542 1.00 0.00 N ATOM 1222 CA GLU A 72 87.549 12.056 6.594 1.00 0.00 C ATOM 1223 C GLU A 72 86.883 13.319 6.063 1.00 0.00 C ATOM 1224 O GLU A 72 87.302 13.900 5.081 1.00 0.00 O ATOM 1225 CB GLU A 72 87.881 11.136 5.430 1.00 0.00 C ATOM 1226 CG GLU A 72 88.803 10.019 5.915 1.00 0.00 C ATOM 1227 CD GLU A 72 89.718 9.578 4.772 1.00 0.00 C ATOM 1228 OE1 GLU A 72 90.758 10.193 4.600 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.365 8.632 4.086 1.00 0.00 O ATOM 0 H GLU A 72 86.074 10.609 7.129 1.00 0.00 H new ATOM 0 HA GLU A 72 88.462 12.333 7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.967 10.713 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.363 11.700 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 72 89.399 10.366 6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.212 9.174 6.269 1.00 0.00 H new ATOM 1236 N ASP A 73 85.858 13.741 6.715 1.00 0.00 N ATOM 1237 CA ASP A 73 85.136 14.971 6.286 1.00 0.00 C ATOM 1238 C ASP A 73 83.756 14.999 6.952 1.00 0.00 C ATOM 1239 O ASP A 73 82.938 14.137 6.703 1.00 0.00 O ATOM 1240 CB ASP A 73 84.966 14.962 4.765 1.00 0.00 C ATOM 1241 CG ASP A 73 84.728 13.531 4.280 1.00 0.00 C ATOM 1242 OD1 ASP A 73 84.104 12.777 5.006 1.00 0.00 O ATOM 1243 OD2 ASP A 73 85.173 13.214 3.189 1.00 0.00 O ATOM 0 H ASP A 73 85.474 13.286 7.543 1.00 0.00 H new ATOM 0 HA ASP A 73 85.707 15.852 6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.127 15.597 4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 73 85.855 15.375 4.288 1.00 0.00 H new ATOM 1248 N PRO A 74 83.533 15.990 7.781 1.00 0.00 N ATOM 1249 CA PRO A 74 82.254 16.144 8.488 1.00 0.00 C ATOM 1250 C PRO A 74 81.198 16.675 7.524 1.00 0.00 C ATOM 1251 O PRO A 74 80.017 16.445 7.685 1.00 0.00 O ATOM 1252 CB PRO A 74 82.567 17.156 9.593 1.00 0.00 C ATOM 1253 CG PRO A 74 83.819 17.935 9.126 1.00 0.00 C ATOM 1254 CD PRO A 74 84.522 17.046 8.083 1.00 0.00 C ATOM 0 HA PRO A 74 81.860 15.211 8.891 1.00 0.00 H new ATOM 0 HB2 PRO A 74 81.726 17.831 9.752 1.00 0.00 H new ATOM 0 HB3 PRO A 74 82.754 16.651 10.541 1.00 0.00 H new ATOM 0 HG2 PRO A 74 83.539 18.895 8.692 1.00 0.00 H new ATOM 0 HG3 PRO A 74 84.481 18.145 9.966 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.785 17.612 7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 74 85.447 16.625 8.477 1.00 0.00 H new ATOM 1262 N GLU A 75 81.624 17.368 6.508 1.00 0.00 N ATOM 1263 CA GLU A 75 80.658 17.894 5.512 1.00 0.00 C ATOM 1264 C GLU A 75 80.137 16.722 4.686 1.00 0.00 C ATOM 1265 O GLU A 75 79.138 16.820 4.002 1.00 0.00 O ATOM 1266 CB GLU A 75 81.352 18.906 4.597 1.00 0.00 C ATOM 1267 CG GLU A 75 82.665 18.314 4.084 1.00 0.00 C ATOM 1268 CD GLU A 75 83.134 19.099 2.857 1.00 0.00 C ATOM 1269 OE1 GLU A 75 82.285 19.551 2.107 1.00 0.00 O ATOM 1270 OE2 GLU A 75 84.335 19.234 2.688 1.00 0.00 O ATOM 0 H GLU A 75 82.602 17.593 6.325 1.00 0.00 H new ATOM 0 HA GLU A 75 79.832 18.394 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 75 80.703 19.159 3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 75 81.546 19.831 5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 75 83.424 18.353 4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 75 82.527 17.264 3.826 1.00 0.00 H new ATOM 1277 N ARG A 76 80.807 15.602 4.759 1.00 0.00 N ATOM 1278 CA ARG A 76 80.355 14.411 4.004 1.00 0.00 C ATOM 1279 C ARG A 76 79.376 13.634 4.882 1.00 0.00 C ATOM 1280 O ARG A 76 78.537 12.899 4.399 1.00 0.00 O ATOM 1281 CB ARG A 76 81.557 13.529 3.663 1.00 0.00 C ATOM 1282 CG ARG A 76 82.421 14.230 2.613 1.00 0.00 C ATOM 1283 CD ARG A 76 81.547 14.650 1.430 1.00 0.00 C ATOM 1284 NE ARG A 76 82.412 14.937 0.250 1.00 0.00 N ATOM 1285 CZ ARG A 76 82.171 15.980 -0.498 1.00 0.00 C ATOM 1286 NH1 ARG A 76 82.113 17.168 0.038 1.00 0.00 N ATOM 1287 NH2 ARG A 76 81.988 15.833 -1.782 1.00 0.00 N ATOM 0 H ARG A 76 81.652 15.467 5.314 1.00 0.00 H new ATOM 0 HA ARG A 76 79.870 14.714 3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 76 82.144 13.332 4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 76 81.218 12.564 3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 76 82.905 15.104 3.049 1.00 0.00 H new ATOM 0 HG3 ARG A 76 83.213 13.563 2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 76 80.837 13.859 1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 76 80.964 15.533 1.690 1.00 0.00 H new ATOM 0 HE ARG A 76 83.192 14.319 0.027 1.00 0.00 H new ATOM 0 HH11 ARG A 76 82.256 17.282 1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 76 81.925 17.983 -0.546 1.00 0.00 H new ATOM 0 HH21 ARG A 76 82.033 14.904 -2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 76 81.800 16.647 -2.367 1.00 0.00 H new ATOM 1301 N TYR A 77 79.471 13.807 6.176 1.00 0.00 N ATOM 1302 CA TYR A 77 78.544 13.099 7.093 1.00 0.00 C ATOM 1303 C TYR A 77 77.253 13.907 7.215 1.00 0.00 C ATOM 1304 O TYR A 77 76.740 14.113 8.297 1.00 0.00 O ATOM 1305 CB TYR A 77 79.170 12.976 8.480 1.00 0.00 C ATOM 1306 CG TYR A 77 78.300 12.087 9.335 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.868 10.848 8.844 1.00 0.00 C ATOM 1308 CD2 TYR A 77 77.923 12.500 10.619 1.00 0.00 C ATOM 1309 CE1 TYR A 77 77.061 10.023 9.636 1.00 0.00 C ATOM 1310 CE2 TYR A 77 77.115 11.674 11.411 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.685 10.435 10.919 1.00 0.00 C ATOM 1312 OH TYR A 77 75.889 9.623 11.700 1.00 0.00 O ATOM 0 H TYR A 77 80.154 14.411 6.633 1.00 0.00 H new ATOM 0 HA TYR A 77 78.340 12.105 6.695 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.174 12.559 8.404 1.00 0.00 H new ATOM 0 HB3 TYR A 77 79.267 13.960 8.938 1.00 0.00 H new ATOM 0 HD1 TYR A 77 78.158 10.529 7.854 1.00 0.00 H new ATOM 0 HD2 TYR A 77 78.255 13.455 10.998 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.728 9.068 9.257 1.00 0.00 H new ATOM 0 HE2 TYR A 77 76.824 11.992 12.401 1.00 0.00 H new ATOM 0 HH TYR A 77 75.723 10.059 12.562 1.00 0.00 H new ATOM 1322 N ARG A 78 76.732 14.387 6.122 1.00 0.00 N ATOM 1323 CA ARG A 78 75.493 15.201 6.191 1.00 0.00 C ATOM 1324 C ARG A 78 74.727 15.105 4.871 1.00 0.00 C ATOM 1325 O ARG A 78 73.934 15.966 4.543 1.00 0.00 O ATOM 1326 CB ARG A 78 75.874 16.660 6.455 1.00 0.00 C ATOM 1327 CG ARG A 78 76.904 17.104 5.417 1.00 0.00 C ATOM 1328 CD ARG A 78 76.186 17.722 4.216 1.00 0.00 C ATOM 1329 NE ARG A 78 76.848 19.006 3.849 1.00 0.00 N ATOM 1330 CZ ARG A 78 76.983 19.948 4.742 1.00 0.00 C ATOM 1331 NH1 ARG A 78 75.943 20.637 5.124 1.00 0.00 N ATOM 1332 NH2 ARG A 78 78.157 20.202 5.251 1.00 0.00 N ATOM 0 H ARG A 78 77.112 14.250 5.185 1.00 0.00 H new ATOM 0 HA ARG A 78 74.858 14.828 6.995 1.00 0.00 H new ATOM 0 HB2 ARG A 78 74.990 17.295 6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 78 76.283 16.766 7.460 1.00 0.00 H new ATOM 0 HG2 ARG A 78 77.589 17.829 5.856 1.00 0.00 H new ATOM 0 HG3 ARG A 78 77.503 16.252 5.097 1.00 0.00 H new ATOM 0 HD2 ARG A 78 76.209 17.034 3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 78 75.137 17.897 4.456 1.00 0.00 H new ATOM 0 HE ARG A 78 77.195 19.148 2.901 1.00 0.00 H new ATOM 0 HH11 ARG A 78 75.025 20.439 4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 78 76.047 21.373 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 78 78.970 19.664 4.951 1.00 0.00 H new ATOM 0 HH22 ARG A 78 78.262 20.938 5.949 1.00 0.00 H new ATOM 1346 N ALA A 79 74.950 14.071 4.108 1.00 0.00 N ATOM 1347 CA ALA A 79 74.229 13.939 2.821 1.00 0.00 C ATOM 1348 C ALA A 79 73.739 12.509 2.645 1.00 0.00 C ATOM 1349 O ALA A 79 72.557 12.253 2.541 1.00 0.00 O ATOM 1350 CB ALA A 79 75.163 14.314 1.673 1.00 0.00 C ATOM 0 H ALA A 79 75.600 13.315 4.324 1.00 0.00 H new ATOM 0 HA ALA A 79 73.369 14.609 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.632 14.217 0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.497 15.344 1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.027 13.649 1.675 1.00 0.00 H new ATOM 1356 N LEU A 80 74.637 11.576 2.626 1.00 0.00 N ATOM 1357 CA LEU A 80 74.222 10.157 2.475 1.00 0.00 C ATOM 1358 C LEU A 80 73.522 9.708 3.754 1.00 0.00 C ATOM 1359 O LEU A 80 73.010 8.610 3.841 1.00 0.00 O ATOM 1360 CB LEU A 80 75.455 9.287 2.223 1.00 0.00 C ATOM 1361 CG LEU A 80 75.456 8.811 0.770 1.00 0.00 C ATOM 1362 CD1 LEU A 80 75.619 10.012 -0.162 1.00 0.00 C ATOM 1363 CD2 LEU A 80 76.617 7.838 0.553 1.00 0.00 C ATOM 0 H LEU A 80 75.642 11.730 2.708 1.00 0.00 H new ATOM 0 HA LEU A 80 73.540 10.057 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.362 9.854 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.453 8.431 2.897 1.00 0.00 H new ATOM 0 HG LEU A 80 74.513 8.308 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 80 75.620 9.672 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 80 74.793 10.706 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 80 76.561 10.516 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 80 76.618 7.498 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.559 8.341 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 80 76.502 6.980 1.216 1.00 0.00 H new ATOM 1375 N ILE A 81 73.469 10.556 4.744 1.00 0.00 N ATOM 1376 CA ILE A 81 72.776 10.175 5.995 1.00 0.00 C ATOM 1377 C ILE A 81 71.272 10.298 5.736 1.00 0.00 C ATOM 1378 O ILE A 81 70.462 9.562 6.262 1.00 0.00 O ATOM 1379 CB ILE A 81 73.244 11.082 7.161 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.166 12.106 7.534 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.521 11.814 6.790 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.182 11.458 8.503 1.00 0.00 C ATOM 0 H ILE A 81 73.875 11.491 4.736 1.00 0.00 H new ATOM 0 HA ILE A 81 73.011 9.151 6.286 1.00 0.00 H new ATOM 0 HB ILE A 81 73.431 10.438 8.020 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.622 12.984 7.991 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.645 12.447 6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.833 12.446 7.622 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.305 11.089 6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.343 12.434 5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.411 12.179 8.775 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.719 10.593 8.028 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.712 11.138 9.400 1.00 0.00 H new ATOM 1394 N GLU A 82 70.898 11.223 4.911 1.00 0.00 N ATOM 1395 CA GLU A 82 69.459 11.393 4.604 1.00 0.00 C ATOM 1396 C GLU A 82 69.078 10.559 3.374 1.00 0.00 C ATOM 1397 O GLU A 82 67.922 10.488 3.005 1.00 0.00 O ATOM 1398 CB GLU A 82 69.163 12.870 4.333 1.00 0.00 C ATOM 1399 CG GLU A 82 67.676 13.143 4.565 1.00 0.00 C ATOM 1400 CD GLU A 82 67.236 14.335 3.713 1.00 0.00 C ATOM 1401 OE1 GLU A 82 67.684 15.435 3.994 1.00 0.00 O ATOM 1402 OE2 GLU A 82 66.460 14.129 2.795 1.00 0.00 O ATOM 0 H GLU A 82 71.526 11.870 4.434 1.00 0.00 H new ATOM 0 HA GLU A 82 68.873 11.054 5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 82 69.766 13.499 4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 82 69.435 13.124 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 82 67.089 12.262 4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 82 67.494 13.349 5.620 1.00 0.00 H new ATOM 1409 N LYS A 83 70.027 9.930 2.725 1.00 0.00 N ATOM 1410 CA LYS A 83 69.678 9.126 1.526 1.00 0.00 C ATOM 1411 C LYS A 83 70.076 7.657 1.722 1.00 0.00 C ATOM 1412 O LYS A 83 70.393 6.968 0.773 1.00 0.00 O ATOM 1413 CB LYS A 83 70.410 9.689 0.306 1.00 0.00 C ATOM 1414 CG LYS A 83 69.857 11.078 -0.025 1.00 0.00 C ATOM 1415 CD LYS A 83 69.029 11.004 -1.309 1.00 0.00 C ATOM 1416 CE LYS A 83 67.569 11.335 -0.993 1.00 0.00 C ATOM 1417 NZ LYS A 83 67.429 12.801 -0.770 1.00 0.00 N ATOM 0 H LYS A 83 71.016 9.941 2.974 1.00 0.00 H new ATOM 0 HA LYS A 83 68.600 9.179 1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 83 71.480 9.750 0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 83 70.283 9.023 -0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 83 69.241 11.441 0.797 1.00 0.00 H new ATOM 0 HG3 LYS A 83 70.675 11.787 -0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 83 69.420 11.704 -2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 83 69.101 10.007 -1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 83 66.927 11.019 -1.815 1.00 0.00 H new ATOM 0 HE3 LYS A 83 67.245 10.789 -0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 66.437 13.026 -0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 68.030 13.090 0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 67.722 13.312 -1.627 1.00 0.00 H new ATOM 1431 N LEU A 84 70.067 7.165 2.934 1.00 0.00 N ATOM 1432 CA LEU A 84 70.452 5.745 3.151 1.00 0.00 C ATOM 1433 C LEU A 84 69.651 5.122 4.300 1.00 0.00 C ATOM 1434 O LEU A 84 68.851 4.230 4.101 1.00 0.00 O ATOM 1435 CB LEU A 84 71.940 5.677 3.482 1.00 0.00 C ATOM 1436 CG LEU A 84 72.723 6.394 2.387 1.00 0.00 C ATOM 1437 CD1 LEU A 84 74.205 6.444 2.767 1.00 0.00 C ATOM 1438 CD2 LEU A 84 72.564 5.634 1.068 1.00 0.00 C ATOM 0 H LEU A 84 69.811 7.683 3.775 1.00 0.00 H new ATOM 0 HA LEU A 84 70.237 5.186 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 84 72.133 6.142 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 84 72.262 4.638 3.557 1.00 0.00 H new ATOM 0 HG LEU A 84 72.342 7.409 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 84 74.764 6.956 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 84 74.321 6.982 3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 84 74.586 5.429 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 84 73.123 6.145 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 84 72.946 4.620 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 84 71.509 5.595 0.795 1.00 0.00 H new ATOM 1450 N GLY A 85 69.880 5.568 5.501 1.00 0.00 N ATOM 1451 CA GLY A 85 69.158 4.987 6.673 1.00 0.00 C ATOM 1452 C GLY A 85 70.106 4.990 7.873 1.00 0.00 C ATOM 1453 O GLY A 85 70.327 3.986 8.521 1.00 0.00 O ATOM 0 H GLY A 85 70.539 6.313 5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 85 68.264 5.570 6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 85 68.830 3.971 6.451 1.00 0.00 H new ATOM 1457 N ILE A 86 70.689 6.120 8.137 1.00 0.00 N ATOM 1458 CA ILE A 86 71.659 6.266 9.241 1.00 0.00 C ATOM 1459 C ILE A 86 70.927 6.614 10.549 1.00 0.00 C ATOM 1460 O ILE A 86 70.563 5.738 11.309 1.00 0.00 O ATOM 1461 CB ILE A 86 72.608 7.386 8.812 1.00 0.00 C ATOM 1462 CG1 ILE A 86 73.355 7.988 9.983 1.00 0.00 C ATOM 1463 CG2 ILE A 86 71.810 8.486 8.137 1.00 0.00 C ATOM 1464 CD1 ILE A 86 73.799 6.884 10.946 1.00 0.00 C ATOM 0 H ILE A 86 70.524 6.978 7.611 1.00 0.00 H new ATOM 0 HA ILE A 86 72.208 5.344 9.432 1.00 0.00 H new ATOM 0 HB ILE A 86 73.338 6.949 8.131 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.224 8.540 9.625 1.00 0.00 H new ATOM 0 HG13 ILE A 86 72.716 8.701 10.504 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.482 9.287 7.829 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.302 8.082 7.261 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.071 8.880 8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 86 74.335 7.327 11.785 1.00 0.00 H new ATOM 0 HD12 ILE A 86 72.924 6.350 11.316 1.00 0.00 H new ATOM 0 HD13 ILE A 86 74.455 6.187 10.423 1.00 0.00 H new ATOM 1476 N ARG A 87 70.703 7.870 10.825 1.00 0.00 N ATOM 1477 CA ARG A 87 70.008 8.254 12.059 1.00 0.00 C ATOM 1478 C ARG A 87 68.583 8.676 11.708 1.00 0.00 C ATOM 1479 O ARG A 87 67.842 7.948 11.078 1.00 0.00 O ATOM 1480 CB ARG A 87 70.780 9.403 12.708 1.00 0.00 C ATOM 1481 CG ARG A 87 72.168 8.916 13.131 1.00 0.00 C ATOM 1482 CD ARG A 87 72.045 8.036 14.376 1.00 0.00 C ATOM 1483 NE ARG A 87 71.612 6.667 13.977 1.00 0.00 N ATOM 1484 CZ ARG A 87 70.813 5.984 14.750 1.00 0.00 C ATOM 1485 NH1 ARG A 87 69.621 6.442 15.021 1.00 0.00 N ATOM 1486 NH2 ARG A 87 71.204 4.845 15.251 1.00 0.00 N ATOM 0 H ARG A 87 70.982 8.650 10.230 1.00 0.00 H new ATOM 0 HA ARG A 87 69.959 7.422 12.761 1.00 0.00 H new ATOM 0 HB2 ARG A 87 70.873 10.233 12.008 1.00 0.00 H new ATOM 0 HB3 ARG A 87 70.235 9.777 13.575 1.00 0.00 H new ATOM 0 HG2 ARG A 87 72.630 8.353 12.320 1.00 0.00 H new ATOM 0 HG3 ARG A 87 72.816 9.768 13.338 1.00 0.00 H new ATOM 0 HD2 ARG A 87 73.001 7.989 14.897 1.00 0.00 H new ATOM 0 HD3 ARG A 87 71.325 8.469 15.070 1.00 0.00 H new ATOM 0 HE ARG A 87 71.940 6.264 13.099 1.00 0.00 H new ATOM 0 HH11 ARG A 87 69.315 7.333 14.629 1.00 0.00 H new ATOM 0 HH12 ARG A 87 68.995 5.909 15.625 1.00 0.00 H new ATOM 0 HH21 ARG A 87 72.135 4.487 15.039 1.00 0.00 H new ATOM 0 HH22 ARG A 87 70.578 4.312 15.855 1.00 0.00 H new ATOM 1500 N GLY A 88 68.201 9.837 12.113 1.00 0.00 N ATOM 1501 CA GLY A 88 66.826 10.328 11.814 1.00 0.00 C ATOM 1502 C GLY A 88 66.543 11.587 12.635 1.00 0.00 C ATOM 1503 O GLY A 88 67.478 12.333 12.880 1.00 0.00 O ATOM 1504 OXT GLY A 88 65.398 11.787 13.003 1.00 0.00 O ATOM 0 H GLY A 88 68.782 10.484 12.646 1.00 0.00 H new ATOM 0 HA2 GLY A 88 66.730 10.546 10.750 1.00 0.00 H new ATOM 0 HA3 GLY A 88 66.094 9.556 12.049 1.00 0.00 H new