USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 660 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 24 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.968 (180deg=-1.62) USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.629 F(o=-1.7,f=-0.63) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0742 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.235 X(o=-0.23,f=-0.12) USER MOD Single : A 56 THR OG1 : rot -109:sc= 1.17 USER MOD Single : A 63 THR OG1 : rot -140:sc= -0.633 USER MOD Single : A 71 THR OG1 : rot -53:sc= -0.0855 USER MOD Single : A 74 ASN : amide:sc= -6.43! C(o=-6.4!,f=-12!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 165:sc=-0.00351 (180deg=-0.098) USER MOD Single : A 81 LYS NZ :NH3+ -163:sc= 1.33 (180deg=0.86) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0463 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -171:sc= -1.62! (180deg=-1.68!) USER MOD Single : A 91 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.71) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -2.27 X(o=-2.3,f=-2.7!) USER MOD Single : A 101 TYR OH : rot 180:sc= -1.53! USER MOD Single : A 102 ASN : amide:sc= -0.99 X(o=-0.99,f=-0.75) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 SER OG : rot 180:sc= 0.0712 USER MOD Single : B 124 LYS NZ :NH3+ -165:sc= -0.104 (180deg=-0.41) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 19 -0.650 -4.922 -9.009 1.00 0.00 N ATOM 16 CA VAL A 19 -0.921 -3.555 -9.436 1.00 0.00 C ATOM 17 C VAL A 19 0.126 -2.590 -8.887 1.00 0.00 C ATOM 18 O VAL A 19 -0.028 -2.055 -7.789 1.00 0.00 O ATOM 19 CB VAL A 19 -2.319 -3.091 -8.981 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.649 -1.728 -9.571 1.00 0.00 C ATOM 21 CG2 VAL A 19 -3.376 -4.117 -9.366 1.00 0.00 C ATOM 0 HA VAL A 19 -0.881 -3.550 -10.525 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.314 -2.999 -7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.640 -1.418 -9.238 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.910 -0.999 -9.239 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.634 -1.789 -10.659 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.356 -3.771 -9.036 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.382 -4.245 -10.448 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.148 -5.070 -8.889 1.00 0.00 H new ATOM 31 N PRO A 20 1.211 -2.353 -9.646 1.00 0.00 N ATOM 32 CA PRO A 20 2.286 -1.447 -9.225 1.00 0.00 C ATOM 33 C PRO A 20 1.831 0.009 -9.184 1.00 0.00 C ATOM 34 O PRO A 20 1.966 0.739 -10.165 1.00 0.00 O ATOM 35 CB PRO A 20 3.360 -1.642 -10.297 1.00 0.00 C ATOM 36 CG PRO A 20 2.620 -2.127 -11.495 1.00 0.00 C ATOM 37 CD PRO A 20 1.476 -2.948 -10.969 1.00 0.00 C ATOM 0 HA PRO A 20 2.632 -1.667 -8.215 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.883 -0.709 -10.507 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.111 -2.364 -9.977 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.258 -1.292 -12.095 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.266 -2.725 -12.138 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.604 -2.886 -11.620 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.741 -4.002 -10.890 1.00 0.00 H new ATOM 45 N GLY A 21 1.293 0.422 -8.042 1.00 0.00 N ATOM 46 CA GLY A 21 0.827 1.789 -7.893 1.00 0.00 C ATOM 47 C GLY A 21 1.632 2.567 -6.871 1.00 0.00 C ATOM 48 O GLY A 21 1.911 2.068 -5.780 1.00 0.00 O ATOM 0 H GLY A 21 1.171 -0.165 -7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.882 2.296 -8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.222 1.782 -7.596 1.00 0.00 H new ATOM 52 N LYS A 22 2.008 3.792 -7.224 1.00 0.00 N ATOM 53 CA LYS A 22 2.786 4.640 -6.329 1.00 0.00 C ATOM 54 C LYS A 22 1.991 5.877 -5.923 1.00 0.00 C ATOM 55 O LYS A 22 1.513 6.628 -6.773 1.00 0.00 O ATOM 56 CB LYS A 22 4.095 5.061 -7.002 1.00 0.00 C ATOM 57 CG LYS A 22 3.902 5.652 -8.390 1.00 0.00 C ATOM 58 CD LYS A 22 4.776 6.877 -8.600 1.00 0.00 C ATOM 59 CE LYS A 22 4.517 7.520 -9.953 1.00 0.00 C ATOM 60 NZ LYS A 22 4.915 8.955 -9.972 1.00 0.00 N ATOM 0 H LYS A 22 1.786 4.219 -8.123 1.00 0.00 H new ATOM 0 HA LYS A 22 3.014 4.065 -5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.599 5.793 -6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.753 4.195 -7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.140 4.901 -9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.855 5.922 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.585 7.602 -7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.826 6.593 -8.526 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.068 6.980 -10.723 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.459 7.434 -10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.722 9.356 -10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.371 9.476 -9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.930 9.036 -9.762 1.00 0.00 H new ATOM 74 N VAL A 23 1.855 6.083 -4.617 1.00 0.00 N ATOM 75 CA VAL A 23 1.119 7.229 -4.096 1.00 0.00 C ATOM 76 C VAL A 23 2.065 8.245 -3.464 1.00 0.00 C ATOM 77 O VAL A 23 3.083 7.880 -2.876 1.00 0.00 O ATOM 78 CB VAL A 23 0.068 6.795 -3.055 1.00 0.00 C ATOM 79 CG1 VAL A 23 0.735 6.109 -1.871 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.757 7.989 -2.595 1.00 0.00 C ATOM 0 H VAL A 23 2.245 5.471 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 23 0.608 7.692 -4.940 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.605 6.079 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.024 5.811 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.273 5.226 -2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.435 6.798 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.493 7.662 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.100 8.733 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.269 8.429 -3.451 1.00 0.00 H new ATOM 90 N THR A 24 1.722 9.524 -3.590 1.00 0.00 N ATOM 91 CA THR A 24 2.542 10.593 -3.032 1.00 0.00 C ATOM 92 C THR A 24 1.900 11.171 -1.774 1.00 0.00 C ATOM 93 O THR A 24 1.126 12.125 -1.842 1.00 0.00 O ATOM 94 CB THR A 24 2.749 11.699 -4.067 1.00 0.00 C ATOM 95 OG1 THR A 24 2.984 11.148 -5.350 1.00 0.00 O ATOM 96 CG2 THR A 24 3.910 12.614 -3.741 1.00 0.00 C ATOM 0 H THR A 24 0.883 9.844 -4.073 1.00 0.00 H new ATOM 0 HA THR A 24 3.510 10.171 -2.763 1.00 0.00 H new ATOM 0 HB THR A 24 1.830 12.285 -4.051 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.112 11.872 -5.998 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.001 13.376 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.736 13.094 -2.778 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.830 12.032 -3.695 1.00 0.00 H new ATOM 104 N LEU A 25 2.229 10.587 -0.627 1.00 0.00 N ATOM 105 CA LEU A 25 1.686 11.043 0.646 1.00 0.00 C ATOM 106 C LEU A 25 2.659 11.989 1.342 1.00 0.00 C ATOM 107 O LEU A 25 3.865 11.745 1.370 1.00 0.00 O ATOM 108 CB LEU A 25 1.382 9.849 1.554 1.00 0.00 C ATOM 109 CG LEU A 25 0.704 8.665 0.860 1.00 0.00 C ATOM 110 CD1 LEU A 25 1.174 7.351 1.465 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.808 8.787 0.956 1.00 0.00 C ATOM 0 H LEU A 25 2.869 9.797 -0.553 1.00 0.00 H new ATOM 0 HA LEU A 25 0.760 11.582 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.315 9.504 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.744 10.186 2.371 1.00 0.00 H new ATOM 0 HG LEU A 25 0.984 8.677 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.681 6.521 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.254 7.260 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.924 7.329 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.274 7.937 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.106 8.801 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.130 9.711 0.475 1.00 0.00 H new ATOM 123 N GLN A 26 2.128 13.071 1.902 1.00 0.00 N ATOM 124 CA GLN A 26 2.950 14.053 2.598 1.00 0.00 C ATOM 125 C GLN A 26 3.262 13.595 4.018 1.00 0.00 C ATOM 126 O GLN A 26 2.725 12.593 4.491 1.00 0.00 O ATOM 127 CB GLN A 26 2.241 15.409 2.632 1.00 0.00 C ATOM 128 CG GLN A 26 2.483 16.255 1.393 1.00 0.00 C ATOM 129 CD GLN A 26 1.251 16.376 0.519 1.00 0.00 C ATOM 130 OE1 GLN A 26 0.589 17.414 0.498 1.00 0.00 O ATOM 131 NE2 GLN A 26 0.936 15.312 -0.209 1.00 0.00 N ATOM 0 H GLN A 26 1.132 13.290 1.887 1.00 0.00 H new ATOM 0 HA GLN A 26 3.889 14.154 2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.169 15.246 2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.575 15.962 3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.808 17.250 1.695 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.295 15.817 0.812 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.513 14.472 -0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.117 15.334 -0.817 1.00 0.00 H new ATOM 140 N LYS A 27 4.134 14.335 4.695 1.00 0.00 N ATOM 141 CA LYS A 27 4.519 14.006 6.063 1.00 0.00 C ATOM 142 C LYS A 27 3.561 14.644 7.064 1.00 0.00 C ATOM 143 O LYS A 27 2.975 15.692 6.798 1.00 0.00 O ATOM 144 CB LYS A 27 5.949 14.475 6.338 1.00 0.00 C ATOM 145 CG LYS A 27 7.000 13.729 5.529 1.00 0.00 C ATOM 146 CD LYS A 27 7.868 12.843 6.412 1.00 0.00 C ATOM 147 CE LYS A 27 7.860 11.399 5.934 1.00 0.00 C ATOM 148 NZ LYS A 27 6.942 10.551 6.743 1.00 0.00 N ATOM 0 H LYS A 27 4.588 15.167 4.318 1.00 0.00 H new ATOM 0 HA LYS A 27 4.470 12.923 6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.022 15.540 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.165 14.353 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.510 13.118 4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.630 14.446 5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.890 13.221 6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.509 12.889 7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.558 11.365 4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.870 10.993 5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.700 9.693 6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.410 10.284 7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.074 11.083 6.955 1.00 0.00 H new ATOM 162 N ASP A 28 3.409 14.002 8.219 1.00 0.00 N ATOM 163 CA ASP A 28 2.522 14.504 9.262 1.00 0.00 C ATOM 164 C ASP A 28 3.263 15.458 10.194 1.00 0.00 C ATOM 165 O ASP A 28 4.390 15.865 9.913 1.00 0.00 O ATOM 166 CB ASP A 28 1.932 13.342 10.063 1.00 0.00 C ATOM 167 CG ASP A 28 0.476 13.567 10.421 1.00 0.00 C ATOM 168 OD1 ASP A 28 -0.316 13.882 9.508 1.00 0.00 O ATOM 169 OD2 ASP A 28 0.128 13.426 11.611 1.00 0.00 O ATOM 0 H ASP A 28 3.889 13.133 8.455 1.00 0.00 H new ATOM 0 HA ASP A 28 1.711 15.052 8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.023 12.422 9.485 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.511 13.203 10.976 1.00 0.00 H new ATOM 174 N ALA A 29 2.623 15.809 11.305 1.00 0.00 N ATOM 175 CA ALA A 29 3.222 16.714 12.279 1.00 0.00 C ATOM 176 C ALA A 29 4.497 16.120 12.868 1.00 0.00 C ATOM 177 O ALA A 29 5.446 16.841 13.173 1.00 0.00 O ATOM 178 CB ALA A 29 2.227 17.032 13.385 1.00 0.00 C ATOM 0 H ALA A 29 1.690 15.480 11.553 1.00 0.00 H new ATOM 0 HA ALA A 29 3.486 17.638 11.765 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.687 17.708 14.105 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.344 17.506 12.955 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.935 16.110 13.888 1.00 0.00 H new ATOM 184 N GLN A 30 4.510 14.801 13.026 1.00 0.00 N ATOM 185 CA GLN A 30 5.671 14.108 13.578 1.00 0.00 C ATOM 186 C GLN A 30 6.578 13.584 12.470 1.00 0.00 C ATOM 187 O GLN A 30 7.396 12.693 12.696 1.00 0.00 O ATOM 188 CB GLN A 30 5.224 12.946 14.471 1.00 0.00 C ATOM 189 CG GLN A 30 4.028 13.269 15.349 1.00 0.00 C ATOM 190 CD GLN A 30 4.408 14.070 16.580 1.00 0.00 C ATOM 191 OE1 GLN A 30 4.860 15.300 16.369 1.00 0.00 O flip ATOM 192 NE2 GLN A 30 4.294 13.588 17.708 1.00 0.00 N flip ATOM 0 H GLN A 30 3.731 14.190 12.780 1.00 0.00 H new ATOM 0 HA GLN A 30 6.234 14.826 14.175 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.980 12.090 13.842 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.058 12.647 15.106 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.296 13.829 14.767 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.547 12.341 15.658 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.942 12.638 17.823 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.552 14.139 18.527 1.00 0.00 H new ATOM 201 N ASN A 31 6.428 14.136 11.268 1.00 0.00 N ATOM 202 CA ASN A 31 7.238 13.713 10.130 1.00 0.00 C ATOM 203 C ASN A 31 7.063 12.221 9.870 1.00 0.00 C ATOM 204 O ASN A 31 7.980 11.552 9.391 1.00 0.00 O ATOM 205 CB ASN A 31 8.714 14.030 10.380 1.00 0.00 C ATOM 206 CG ASN A 31 9.467 14.325 9.099 1.00 0.00 C ATOM 207 OD1 ASN A 31 9.980 13.280 8.461 1.00 0.00 O flip ATOM 208 ND2 ASN A 31 9.588 15.478 8.688 1.00 0.00 N flip ATOM 0 H ASN A 31 5.756 14.874 11.058 1.00 0.00 H new ATOM 0 HA ASN A 31 6.902 14.262 9.250 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.790 14.887 11.049 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.183 13.187 10.888 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.177 16.252 9.211 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.099 15.661 7.824 1.00 0.00 H new ATOM 215 N LEU A 32 5.881 11.704 10.193 1.00 0.00 N ATOM 216 CA LEU A 32 5.586 10.289 9.999 1.00 0.00 C ATOM 217 C LEU A 32 4.243 10.103 9.300 1.00 0.00 C ATOM 218 O LEU A 32 3.192 10.418 9.858 1.00 0.00 O ATOM 219 CB LEU A 32 5.573 9.562 11.345 1.00 0.00 C ATOM 220 CG LEU A 32 6.892 9.611 12.120 1.00 0.00 C ATOM 221 CD1 LEU A 32 6.640 9.433 13.610 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.849 8.547 11.606 1.00 0.00 C ATOM 0 H LEU A 32 5.112 12.244 10.590 1.00 0.00 H new ATOM 0 HA LEU A 32 6.367 9.865 9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.788 9.993 11.966 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.308 8.519 11.175 1.00 0.00 H new ATOM 0 HG LEU A 32 7.350 10.588 11.965 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.588 9.470 14.146 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.989 10.231 13.967 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.162 8.469 13.786 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.782 8.595 12.167 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.400 7.562 11.732 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.052 8.720 10.549 1.00 0.00 H new ATOM 234 N ILE A 33 4.285 9.585 8.077 1.00 0.00 N ATOM 235 CA ILE A 33 3.070 9.352 7.305 1.00 0.00 C ATOM 236 C ILE A 33 2.120 8.410 8.042 1.00 0.00 C ATOM 237 O ILE A 33 0.917 8.398 7.780 1.00 0.00 O ATOM 238 CB ILE A 33 3.385 8.765 5.915 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.357 7.590 6.035 1.00 0.00 C ATOM 240 CG2 ILE A 33 3.957 9.841 5.003 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.544 6.829 4.741 1.00 0.00 C ATOM 0 H ILE A 33 5.146 9.319 7.600 1.00 0.00 H new ATOM 0 HA ILE A 33 2.589 10.322 7.178 1.00 0.00 H new ATOM 0 HB ILE A 33 2.457 8.397 5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.325 7.962 6.372 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.994 6.905 6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.174 9.411 4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.232 10.647 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.875 10.236 5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.246 6.010 4.899 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.585 6.427 4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.936 7.501 3.977 1.00 0.00 H new ATOM 253 N GLY A 34 2.665 7.626 8.966 1.00 0.00 N ATOM 254 CA GLY A 34 1.849 6.700 9.726 1.00 0.00 C ATOM 255 C GLY A 34 1.589 5.404 8.987 1.00 0.00 C ATOM 256 O GLY A 34 0.561 5.254 8.330 1.00 0.00 O ATOM 0 H GLY A 34 3.657 7.616 9.202 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.343 6.480 10.673 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.897 7.174 9.965 1.00 0.00 H new ATOM 260 N ILE A 35 2.522 4.464 9.104 1.00 0.00 N ATOM 261 CA ILE A 35 2.399 3.163 8.452 1.00 0.00 C ATOM 262 C ILE A 35 3.421 2.180 9.010 1.00 0.00 C ATOM 263 O ILE A 35 4.627 2.416 8.937 1.00 0.00 O ATOM 264 CB ILE A 35 2.588 3.261 6.923 1.00 0.00 C ATOM 265 CG1 ILE A 35 3.752 4.196 6.584 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.305 3.734 6.255 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.703 3.620 5.556 1.00 0.00 C ATOM 0 H ILE A 35 3.377 4.580 9.648 1.00 0.00 H new ATOM 0 HA ILE A 35 1.389 2.807 8.657 1.00 0.00 H new ATOM 0 HB ILE A 35 2.825 2.268 6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.354 5.140 6.212 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.306 4.421 7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.458 3.797 5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.503 3.028 6.467 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.035 4.717 6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.504 4.333 5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.128 2.691 5.934 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.162 3.421 4.631 1.00 0.00 H new ATOM 279 N SER A 36 2.933 1.078 9.567 1.00 0.00 N ATOM 280 CA SER A 36 3.809 0.061 10.138 1.00 0.00 C ATOM 281 C SER A 36 4.261 -0.927 9.068 1.00 0.00 C ATOM 282 O SER A 36 3.546 -1.176 8.098 1.00 0.00 O ATOM 283 CB SER A 36 3.091 -0.681 11.268 1.00 0.00 C ATOM 284 OG SER A 36 3.878 -1.754 11.757 1.00 0.00 O ATOM 0 H SER A 36 1.938 0.866 9.636 1.00 0.00 H new ATOM 0 HA SER A 36 4.691 0.558 10.543 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.872 0.012 12.080 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.136 -1.062 10.907 1.00 0.00 H new ATOM 0 HG SER A 36 3.397 -2.210 12.479 1.00 0.00 H new ATOM 290 N ILE A 37 5.453 -1.486 9.250 1.00 0.00 N ATOM 291 CA ILE A 37 6.000 -2.446 8.299 1.00 0.00 C ATOM 292 C ILE A 37 6.691 -3.601 9.017 1.00 0.00 C ATOM 293 O ILE A 37 6.746 -3.635 10.246 1.00 0.00 O ATOM 294 CB ILE A 37 7.007 -1.780 7.339 1.00 0.00 C ATOM 295 CG1 ILE A 37 7.973 -0.879 8.114 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.272 -0.987 6.268 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.425 -1.264 7.943 1.00 0.00 C ATOM 0 H ILE A 37 6.058 -1.291 10.047 1.00 0.00 H new ATOM 0 HA ILE A 37 5.158 -2.830 7.722 1.00 0.00 H new ATOM 0 HB ILE A 37 7.589 -2.561 6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.838 0.152 7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.719 -0.913 9.173 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.996 -0.523 5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.627 -1.656 5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.666 -0.213 6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.052 -0.584 8.519 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.575 -2.284 8.297 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.696 -1.202 6.889 1.00 0.00 H new ATOM 309 N GLY A 38 7.217 -4.544 8.241 1.00 0.00 N ATOM 310 CA GLY A 38 7.896 -5.687 8.822 1.00 0.00 C ATOM 311 C GLY A 38 8.636 -6.509 7.783 1.00 0.00 C ATOM 312 O GLY A 38 8.024 -7.068 6.874 1.00 0.00 O ATOM 0 H GLY A 38 7.185 -4.537 7.222 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.601 -5.342 9.578 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.168 -6.319 9.330 1.00 0.00 H new ATOM 316 N GLY A 39 9.955 -6.583 7.921 1.00 0.00 N ATOM 317 CA GLY A 39 10.756 -7.344 6.981 1.00 0.00 C ATOM 318 C GLY A 39 12.170 -7.577 7.479 1.00 0.00 C ATOM 319 O GLY A 39 12.587 -6.990 8.478 1.00 0.00 O ATOM 0 H GLY A 39 10.483 -6.130 8.667 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.277 -8.305 6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.792 -6.816 6.028 1.00 0.00 H new ATOM 414 N LEU A 47 10.009 -6.973 1.947 1.00 0.00 N ATOM 415 CA LEU A 47 9.446 -6.138 3.000 1.00 0.00 C ATOM 416 C LEU A 47 7.926 -6.065 2.879 1.00 0.00 C ATOM 417 O LEU A 47 7.392 -5.821 1.798 1.00 0.00 O ATOM 418 CB LEU A 47 10.046 -4.730 2.940 1.00 0.00 C ATOM 419 CG LEU A 47 11.072 -4.416 4.030 1.00 0.00 C ATOM 420 CD1 LEU A 47 10.395 -4.323 5.389 1.00 0.00 C ATOM 421 CD2 LEU A 47 12.168 -5.472 4.050 1.00 0.00 C ATOM 0 HA LEU A 47 9.695 -6.588 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.519 -4.594 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.236 -4.003 3.005 1.00 0.00 H new ATOM 0 HG LEU A 47 11.528 -3.451 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.140 -4.099 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.647 -3.531 5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.912 -5.272 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.889 -5.233 4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.728 -6.449 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.673 -5.491 3.084 1.00 0.00 H new ATOM 433 N TYR A 48 7.237 -6.283 3.994 1.00 0.00 N ATOM 434 CA TYR A 48 5.779 -6.244 4.010 1.00 0.00 C ATOM 435 C TYR A 48 5.272 -5.028 4.779 1.00 0.00 C ATOM 436 O TYR A 48 5.999 -4.439 5.580 1.00 0.00 O ATOM 437 CB TYR A 48 5.222 -7.526 4.632 1.00 0.00 C ATOM 438 CG TYR A 48 4.072 -8.126 3.855 1.00 0.00 C ATOM 439 CD1 TYR A 48 2.766 -7.702 4.073 1.00 0.00 C ATOM 440 CD2 TYR A 48 4.292 -9.112 2.901 1.00 0.00 C ATOM 441 CE1 TYR A 48 1.713 -8.247 3.365 1.00 0.00 C ATOM 442 CE2 TYR A 48 3.243 -9.660 2.188 1.00 0.00 C ATOM 443 CZ TYR A 48 1.956 -9.226 2.425 1.00 0.00 C ATOM 444 OH TYR A 48 0.909 -9.769 1.716 1.00 0.00 O ATOM 0 H TYR A 48 7.664 -6.488 4.897 1.00 0.00 H new ATOM 0 HA TYR A 48 5.432 -6.167 2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.023 -8.262 4.706 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.891 -7.313 5.648 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.572 -6.934 4.808 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.299 -9.455 2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.704 -7.908 3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.430 -10.425 1.449 1.00 0.00 H new ATOM 0 HH TYR A 48 1.251 -10.444 1.094 1.00 0.00 H new ATOM 454 N ILE A 49 4.021 -4.657 4.530 1.00 0.00 N ATOM 455 CA ILE A 49 3.415 -3.512 5.197 1.00 0.00 C ATOM 456 C ILE A 49 2.346 -3.959 6.189 1.00 0.00 C ATOM 457 O ILE A 49 1.442 -4.720 5.843 1.00 0.00 O ATOM 458 CB ILE A 49 2.784 -2.539 4.183 1.00 0.00 C ATOM 459 CG1 ILE A 49 3.792 -2.185 3.088 1.00 0.00 C ATOM 460 CG2 ILE A 49 2.294 -1.281 4.887 1.00 0.00 C ATOM 461 CD1 ILE A 49 3.248 -1.228 2.050 1.00 0.00 C ATOM 0 H ILE A 49 3.407 -5.134 3.870 1.00 0.00 H new ATOM 0 HA ILE A 49 4.213 -2.998 5.732 1.00 0.00 H new ATOM 0 HB ILE A 49 1.927 -3.028 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.676 -1.744 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.114 -3.101 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.851 -0.604 4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.546 -1.549 5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.134 -0.787 5.376 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.018 -1.022 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.382 -1.674 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.953 -0.297 2.533 1.00 0.00 H new ATOM 473 N VAL A 50 2.456 -3.477 7.422 1.00 0.00 N ATOM 474 CA VAL A 50 1.498 -3.823 8.467 1.00 0.00 C ATOM 475 C VAL A 50 0.357 -2.809 8.512 1.00 0.00 C ATOM 476 O VAL A 50 0.448 -1.735 7.917 1.00 0.00 O ATOM 477 CB VAL A 50 2.173 -3.889 9.852 1.00 0.00 C ATOM 478 CG1 VAL A 50 1.301 -4.647 10.841 1.00 0.00 C ATOM 479 CG2 VAL A 50 3.551 -4.527 9.752 1.00 0.00 C ATOM 0 H VAL A 50 3.199 -2.846 7.723 1.00 0.00 H new ATOM 0 HA VAL A 50 1.100 -4.808 8.224 1.00 0.00 H new ATOM 0 HB VAL A 50 2.296 -2.869 10.217 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.797 -4.681 11.811 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.341 -4.141 10.942 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.140 -5.663 10.480 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.008 -4.563 10.741 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.456 -5.539 9.359 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.178 -3.936 9.084 1.00 0.00 H new ATOM 489 N GLN A 51 -0.717 -3.158 9.216 1.00 0.00 N ATOM 490 CA GLN A 51 -1.881 -2.282 9.337 1.00 0.00 C ATOM 491 C GLN A 51 -1.471 -0.842 9.638 1.00 0.00 C ATOM 492 O GLN A 51 -0.479 -0.598 10.323 1.00 0.00 O ATOM 493 CB GLN A 51 -2.816 -2.796 10.433 1.00 0.00 C ATOM 494 CG GLN A 51 -2.196 -2.773 11.820 1.00 0.00 C ATOM 495 CD GLN A 51 -3.153 -2.261 12.879 1.00 0.00 C ATOM 496 OE1 GLN A 51 -4.081 -2.962 13.284 1.00 0.00 O ATOM 497 NE2 GLN A 51 -2.930 -1.033 13.333 1.00 0.00 N ATOM 0 H GLN A 51 -0.806 -4.044 9.713 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.403 -2.291 8.380 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.723 -2.191 10.439 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.116 -3.817 10.195 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.871 -3.779 12.085 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.306 -2.144 11.806 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.148 -0.488 12.968 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.540 -0.634 14.047 1.00 0.00 H new ATOM 506 N VAL A 52 -2.246 0.105 9.119 1.00 0.00 N ATOM 507 CA VAL A 52 -1.974 1.522 9.326 1.00 0.00 C ATOM 508 C VAL A 52 -2.639 2.033 10.600 1.00 0.00 C ATOM 509 O VAL A 52 -3.525 1.381 11.152 1.00 0.00 O ATOM 510 CB VAL A 52 -2.469 2.375 8.139 1.00 0.00 C ATOM 511 CG1 VAL A 52 -1.816 3.746 8.156 1.00 0.00 C ATOM 512 CG2 VAL A 52 -2.208 1.668 6.817 1.00 0.00 C ATOM 0 H VAL A 52 -3.071 -0.085 8.550 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.892 1.619 9.413 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.546 2.509 8.242 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.178 4.332 7.311 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.066 4.257 9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.734 3.635 8.083 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.566 2.289 5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.138 1.495 6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.733 0.713 6.805 1.00 0.00 H new ATOM 522 N PHE A 53 -2.209 3.204 11.054 1.00 0.00 N ATOM 523 CA PHE A 53 -2.768 3.810 12.256 1.00 0.00 C ATOM 524 C PHE A 53 -3.825 4.846 11.888 1.00 0.00 C ATOM 525 O PHE A 53 -3.767 5.451 10.819 1.00 0.00 O ATOM 526 CB PHE A 53 -1.662 4.463 13.087 1.00 0.00 C ATOM 527 CG PHE A 53 -0.756 3.474 13.762 1.00 0.00 C ATOM 528 CD1 PHE A 53 0.087 2.666 13.016 1.00 0.00 C ATOM 529 CD2 PHE A 53 -0.748 3.351 15.142 1.00 0.00 C ATOM 530 CE1 PHE A 53 0.922 1.755 13.635 1.00 0.00 C ATOM 531 CE2 PHE A 53 0.082 2.441 15.766 1.00 0.00 C ATOM 532 CZ PHE A 53 0.919 1.642 15.011 1.00 0.00 C ATOM 0 H PHE A 53 -1.474 3.753 10.608 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.238 3.026 12.850 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.066 5.108 12.441 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.117 5.102 13.844 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.092 2.749 11.939 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.399 3.975 15.737 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.576 1.132 13.043 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.077 2.354 16.842 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.570 0.930 15.497 1.00 0.00 H new ATOM 542 N ASP A 54 -4.791 5.043 12.776 1.00 0.00 N ATOM 543 CA ASP A 54 -5.861 6.004 12.537 1.00 0.00 C ATOM 544 C ASP A 54 -5.365 7.434 12.724 1.00 0.00 C ATOM 545 O ASP A 54 -4.407 7.680 13.457 1.00 0.00 O ATOM 546 CB ASP A 54 -7.037 5.733 13.476 1.00 0.00 C ATOM 547 CG ASP A 54 -8.111 4.882 12.825 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.403 5.104 11.631 1.00 0.00 O ATOM 549 OD2 ASP A 54 -8.659 3.993 13.511 1.00 0.00 O ATOM 0 H ASP A 54 -4.856 4.551 13.667 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.193 5.888 11.505 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.674 5.232 14.373 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.471 6.681 13.794 1.00 0.00 H new ATOM 554 N ASN A 55 -6.029 8.375 12.057 1.00 0.00 N ATOM 555 CA ASN A 55 -5.671 9.788 12.146 1.00 0.00 C ATOM 556 C ASN A 55 -4.341 10.073 11.450 1.00 0.00 C ATOM 557 O ASN A 55 -3.703 11.093 11.714 1.00 0.00 O ATOM 558 CB ASN A 55 -5.597 10.231 13.609 1.00 0.00 C ATOM 559 CG ASN A 55 -6.797 9.771 14.415 1.00 0.00 C ATOM 560 OD1 ASN A 55 -6.656 9.277 15.532 1.00 0.00 O ATOM 561 ND2 ASN A 55 -7.988 9.934 13.848 1.00 0.00 N ATOM 0 H ASN A 55 -6.822 8.182 11.446 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.450 10.356 11.638 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.687 9.835 14.060 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.528 11.318 13.653 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.832 9.644 14.342 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.058 10.349 12.919 1.00 0.00 H new ATOM 568 N THR A 56 -3.925 9.177 10.559 1.00 0.00 N ATOM 569 CA THR A 56 -2.675 9.356 9.830 1.00 0.00 C ATOM 570 C THR A 56 -2.947 9.727 8.376 1.00 0.00 C ATOM 571 O THR A 56 -3.986 9.370 7.822 1.00 0.00 O ATOM 572 CB THR A 56 -1.832 8.080 9.892 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.532 6.987 9.325 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.434 7.693 11.299 1.00 0.00 C ATOM 0 H THR A 56 -4.433 8.324 10.326 1.00 0.00 H new ATOM 0 HA THR A 56 -2.122 10.169 10.301 1.00 0.00 H new ATOM 0 HB THR A 56 -0.928 8.304 9.326 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.805 6.369 10.035 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.839 6.780 11.271 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.847 8.496 11.745 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.330 7.524 11.897 1.00 0.00 H new ATOM 582 N PRO A 57 -2.014 10.448 7.733 1.00 0.00 N ATOM 583 CA PRO A 57 -2.164 10.859 6.333 1.00 0.00 C ATOM 584 C PRO A 57 -2.294 9.662 5.398 1.00 0.00 C ATOM 585 O PRO A 57 -2.882 9.762 4.322 1.00 0.00 O ATOM 586 CB PRO A 57 -0.875 11.637 6.038 1.00 0.00 C ATOM 587 CG PRO A 57 0.086 11.223 7.098 1.00 0.00 C ATOM 588 CD PRO A 57 -0.742 10.912 8.311 1.00 0.00 C ATOM 0 HA PRO A 57 -3.068 11.448 6.176 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.491 11.401 5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.050 12.713 6.064 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.661 10.352 6.784 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.801 12.018 7.308 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.277 10.146 8.931 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.881 11.791 8.941 1.00 0.00 H new ATOM 596 N ALA A 58 -1.744 8.526 5.821 1.00 0.00 N ATOM 597 CA ALA A 58 -1.802 7.306 5.025 1.00 0.00 C ATOM 598 C ALA A 58 -3.160 6.627 5.169 1.00 0.00 C ATOM 599 O ALA A 58 -3.648 5.988 4.236 1.00 0.00 O ATOM 600 CB ALA A 58 -0.687 6.356 5.437 1.00 0.00 C ATOM 0 H ALA A 58 -1.254 8.427 6.710 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.666 7.574 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.741 5.449 4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.278 6.838 5.281 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.798 6.100 6.491 1.00 0.00 H new ATOM 606 N ALA A 59 -3.765 6.771 6.344 1.00 0.00 N ATOM 607 CA ALA A 59 -5.069 6.173 6.612 1.00 0.00 C ATOM 608 C ALA A 59 -6.197 7.111 6.199 1.00 0.00 C ATOM 609 O ALA A 59 -7.289 6.667 5.845 1.00 0.00 O ATOM 610 CB ALA A 59 -5.192 5.814 8.085 1.00 0.00 C ATOM 0 H ALA A 59 -3.373 7.296 7.126 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.153 5.262 6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.170 5.369 8.271 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.412 5.101 8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.083 6.715 8.689 1.00 0.00 H new ATOM 616 N LEU A 60 -5.926 8.412 6.242 1.00 0.00 N ATOM 617 CA LEU A 60 -6.918 9.413 5.873 1.00 0.00 C ATOM 618 C LEU A 60 -7.020 9.542 4.356 1.00 0.00 C ATOM 619 O LEU A 60 -8.110 9.709 3.809 1.00 0.00 O ATOM 620 CB LEU A 60 -6.560 10.768 6.488 1.00 0.00 C ATOM 621 CG LEU A 60 -6.514 10.796 8.016 1.00 0.00 C ATOM 622 CD1 LEU A 60 -5.562 11.879 8.502 1.00 0.00 C ATOM 623 CD2 LEU A 60 -7.909 11.015 8.586 1.00 0.00 C ATOM 0 H LEU A 60 -5.026 8.797 6.529 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.885 9.091 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.588 11.078 6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.286 11.507 6.148 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.145 9.833 8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.542 11.884 9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.560 11.680 8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.901 12.850 8.141 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.859 11.032 9.675 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.304 11.965 8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.564 10.205 8.266 1.00 0.00 H new ATOM 635 N ASP A 61 -5.876 9.464 3.683 1.00 0.00 N ATOM 636 CA ASP A 61 -5.839 9.572 2.228 1.00 0.00 C ATOM 637 C ASP A 61 -6.500 8.364 1.575 1.00 0.00 C ATOM 638 O ASP A 61 -7.380 8.509 0.726 1.00 0.00 O ATOM 639 CB ASP A 61 -4.392 9.699 1.745 1.00 0.00 C ATOM 640 CG ASP A 61 -4.302 10.218 0.323 1.00 0.00 C ATOM 641 OD1 ASP A 61 -4.491 9.416 -0.615 1.00 0.00 O ATOM 642 OD2 ASP A 61 -4.043 11.427 0.147 1.00 0.00 O ATOM 0 H ASP A 61 -4.965 9.327 4.120 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.393 10.465 1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.847 10.370 2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.905 8.726 1.806 1.00 0.00 H new ATOM 647 N GLY A 62 -6.073 7.172 1.978 1.00 0.00 N ATOM 648 CA GLY A 62 -6.635 5.955 1.420 1.00 0.00 C ATOM 649 C GLY A 62 -5.907 5.500 0.170 1.00 0.00 C ATOM 650 O GLY A 62 -6.370 5.731 -0.946 1.00 0.00 O ATOM 0 H GLY A 62 -5.348 7.026 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.595 5.164 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.687 6.119 1.185 1.00 0.00 H new ATOM 654 N THR A 63 -4.762 4.850 0.358 1.00 0.00 N ATOM 655 CA THR A 63 -3.968 4.361 -0.761 1.00 0.00 C ATOM 656 C THR A 63 -3.053 3.222 -0.323 1.00 0.00 C ATOM 657 O THR A 63 -3.090 2.129 -0.888 1.00 0.00 O ATOM 658 CB THR A 63 -3.137 5.498 -1.358 1.00 0.00 C ATOM 659 OG1 THR A 63 -3.781 6.744 -1.168 1.00 0.00 O ATOM 660 CG2 THR A 63 -2.877 5.335 -2.840 1.00 0.00 C ATOM 0 H THR A 63 -4.364 4.650 1.276 1.00 0.00 H new ATOM 0 HA THR A 63 -4.651 3.981 -1.521 1.00 0.00 H new ATOM 0 HB THR A 63 -2.182 5.464 -0.833 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.677 7.292 -1.974 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.283 6.175 -3.200 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.335 4.406 -3.014 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.826 5.307 -3.375 1.00 0.00 H new ATOM 668 N VAL A 64 -2.230 3.486 0.687 1.00 0.00 N ATOM 669 CA VAL A 64 -1.305 2.483 1.201 1.00 0.00 C ATOM 670 C VAL A 64 -1.815 1.882 2.507 1.00 0.00 C ATOM 671 O VAL A 64 -2.394 2.581 3.338 1.00 0.00 O ATOM 672 CB VAL A 64 0.097 3.078 1.434 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.710 3.531 0.118 1.00 0.00 C ATOM 674 CG2 VAL A 64 0.032 4.230 2.425 1.00 0.00 C ATOM 0 H VAL A 64 -2.185 4.386 1.165 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.237 1.699 0.446 1.00 0.00 H new ATOM 0 HB VAL A 64 0.735 2.302 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.700 3.948 0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.795 2.679 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.075 4.291 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.032 4.637 2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.622 5.010 2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.361 3.870 3.376 1.00 0.00 H new ATOM 684 N ALA A 65 -1.595 0.584 2.682 1.00 0.00 N ATOM 685 CA ALA A 65 -2.032 -0.111 3.886 1.00 0.00 C ATOM 686 C ALA A 65 -1.524 -1.548 3.906 1.00 0.00 C ATOM 687 O ALA A 65 -0.804 -1.975 3.005 1.00 0.00 O ATOM 688 CB ALA A 65 -3.550 -0.084 3.990 1.00 0.00 C ATOM 0 H ALA A 65 -1.116 -0.009 2.004 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.611 0.407 4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.862 -0.607 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.894 0.950 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.983 -0.575 3.119 1.00 0.00 H new ATOM 694 N ALA A 66 -1.905 -2.291 4.941 1.00 0.00 N ATOM 695 CA ALA A 66 -1.489 -3.681 5.077 1.00 0.00 C ATOM 696 C ALA A 66 -1.970 -4.514 3.895 1.00 0.00 C ATOM 697 O ALA A 66 -3.024 -4.245 3.321 1.00 0.00 O ATOM 698 CB ALA A 66 -2.011 -4.262 6.383 1.00 0.00 C ATOM 0 H ALA A 66 -2.501 -1.953 5.697 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.399 -3.710 5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.693 -5.301 6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.615 -3.688 7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.100 -4.214 6.393 1.00 0.00 H new ATOM 704 N GLY A 67 -1.189 -5.528 3.536 1.00 0.00 N ATOM 705 CA GLY A 67 -1.552 -6.384 2.421 1.00 0.00 C ATOM 706 C GLY A 67 -0.771 -6.060 1.163 1.00 0.00 C ATOM 707 O GLY A 67 -0.474 -6.946 0.363 1.00 0.00 O ATOM 0 H GLY A 67 -0.312 -5.772 3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.379 -7.425 2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.618 -6.281 2.220 1.00 0.00 H new ATOM 711 N ASP A 68 -0.439 -4.785 0.987 1.00 0.00 N ATOM 712 CA ASP A 68 0.312 -4.345 -0.182 1.00 0.00 C ATOM 713 C ASP A 68 1.785 -4.718 -0.053 1.00 0.00 C ATOM 714 O ASP A 68 2.291 -4.913 1.052 1.00 0.00 O ATOM 715 CB ASP A 68 0.170 -2.833 -0.365 1.00 0.00 C ATOM 716 CG ASP A 68 -1.266 -2.411 -0.607 1.00 0.00 C ATOM 717 OD1 ASP A 68 -2.070 -2.469 0.346 1.00 0.00 O ATOM 718 OD2 ASP A 68 -1.586 -2.023 -1.751 1.00 0.00 O ATOM 0 H ASP A 68 -0.679 -4.039 1.640 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.096 -4.850 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.550 -2.325 0.522 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.786 -2.512 -1.205 1.00 0.00 H new ATOM 723 N GLU A 69 2.468 -4.815 -1.189 1.00 0.00 N ATOM 724 CA GLU A 69 3.882 -5.165 -1.203 1.00 0.00 C ATOM 725 C GLU A 69 4.737 -3.961 -1.587 1.00 0.00 C ATOM 726 O GLU A 69 4.821 -3.595 -2.759 1.00 0.00 O ATOM 727 CB GLU A 69 4.137 -6.316 -2.178 1.00 0.00 C ATOM 728 CG GLU A 69 5.562 -6.844 -2.139 1.00 0.00 C ATOM 729 CD GLU A 69 6.487 -6.098 -3.083 1.00 0.00 C ATOM 730 OE1 GLU A 69 6.040 -5.746 -4.194 1.00 0.00 O ATOM 731 OE2 GLU A 69 7.654 -5.866 -2.707 1.00 0.00 O ATOM 0 H GLU A 69 2.064 -4.656 -2.112 1.00 0.00 H new ATOM 0 HA GLU A 69 4.160 -5.482 -0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.450 -7.132 -1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.911 -5.980 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.947 -6.766 -1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.561 -7.903 -2.399 1.00 0.00 H new ATOM 738 N ILE A 70 5.370 -3.350 -0.592 1.00 0.00 N ATOM 739 CA ILE A 70 6.218 -2.186 -0.825 1.00 0.00 C ATOM 740 C ILE A 70 7.493 -2.580 -1.565 1.00 0.00 C ATOM 741 O ILE A 70 8.010 -3.684 -1.389 1.00 0.00 O ATOM 742 CB ILE A 70 6.592 -1.489 0.499 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.412 -0.224 0.225 1.00 0.00 C ATOM 744 CG2 ILE A 70 7.361 -2.440 1.405 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.449 0.736 1.394 1.00 0.00 C ATOM 0 H ILE A 70 5.312 -3.641 0.384 1.00 0.00 H new ATOM 0 HA ILE A 70 5.646 -1.490 -1.439 1.00 0.00 H new ATOM 0 HB ILE A 70 5.673 -1.200 1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.432 -0.510 -0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.996 0.288 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.616 -1.931 2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.744 -3.311 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.275 -2.761 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.047 1.608 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.435 1.051 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.893 0.241 2.258 1.00 0.00 H new ATOM 757 N THR A 71 7.996 -1.671 -2.394 1.00 0.00 N ATOM 758 CA THR A 71 9.209 -1.927 -3.161 1.00 0.00 C ATOM 759 C THR A 71 9.766 -0.635 -3.751 1.00 0.00 C ATOM 760 O THR A 71 10.282 -0.622 -4.869 1.00 0.00 O ATOM 761 CB THR A 71 8.927 -2.930 -4.280 1.00 0.00 C ATOM 762 OG1 THR A 71 10.118 -3.264 -4.969 1.00 0.00 O ATOM 763 CG2 THR A 71 7.933 -2.421 -5.303 1.00 0.00 C ATOM 0 H THR A 71 7.583 -0.752 -2.551 1.00 0.00 H new ATOM 0 HA THR A 71 9.953 -2.346 -2.484 1.00 0.00 H new ATOM 0 HB THR A 71 8.501 -3.802 -3.784 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.563 -2.444 -5.270 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.778 -3.181 -6.069 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.985 -2.202 -4.812 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.320 -1.513 -5.766 1.00 0.00 H new ATOM 771 N GLY A 72 9.660 0.452 -2.991 1.00 0.00 N ATOM 772 CA GLY A 72 10.159 1.731 -3.460 1.00 0.00 C ATOM 773 C GLY A 72 9.645 2.896 -2.636 1.00 0.00 C ATOM 774 O GLY A 72 8.555 2.831 -2.068 1.00 0.00 O ATOM 0 H GLY A 72 9.239 0.469 -2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.249 1.724 -3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.868 1.871 -4.501 1.00 0.00 H new ATOM 778 N VAL A 73 10.433 3.965 -2.574 1.00 0.00 N ATOM 779 CA VAL A 73 10.055 5.152 -1.819 1.00 0.00 C ATOM 780 C VAL A 73 10.729 6.397 -2.387 1.00 0.00 C ATOM 781 O VAL A 73 11.949 6.541 -2.316 1.00 0.00 O ATOM 782 CB VAL A 73 10.428 5.015 -0.330 1.00 0.00 C ATOM 783 CG1 VAL A 73 9.896 6.197 0.466 1.00 0.00 C ATOM 784 CG2 VAL A 73 9.904 3.703 0.234 1.00 0.00 C ATOM 0 H VAL A 73 11.338 4.032 -3.039 1.00 0.00 H new ATOM 0 HA VAL A 73 8.973 5.252 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 73 11.515 5.011 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.169 6.082 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.326 7.120 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.810 6.237 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.177 3.624 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.819 3.673 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.340 2.870 -0.317 1.00 0.00 H new ATOM 794 N ASN A 74 9.927 7.294 -2.952 1.00 0.00 N ATOM 795 CA ASN A 74 10.447 8.525 -3.533 1.00 0.00 C ATOM 796 C ASN A 74 11.415 8.224 -4.675 1.00 0.00 C ATOM 797 O ASN A 74 12.314 9.013 -4.963 1.00 0.00 O ATOM 798 CB ASN A 74 11.150 9.361 -2.463 1.00 0.00 C ATOM 799 CG ASN A 74 10.183 10.219 -1.671 1.00 0.00 C ATOM 800 OD1 ASN A 74 9.789 9.866 -0.559 1.00 0.00 O ATOM 801 ND2 ASN A 74 9.793 11.354 -2.241 1.00 0.00 N ATOM 0 H ASN A 74 8.914 7.191 -3.019 1.00 0.00 H new ATOM 0 HA ASN A 74 9.606 9.090 -3.933 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.685 8.699 -1.782 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.895 10.001 -2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.142 11.971 -1.755 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.144 11.608 -3.164 1.00 0.00 H new ATOM 808 N GLY A 75 11.219 7.082 -5.326 1.00 0.00 N ATOM 809 CA GLY A 75 12.081 6.700 -6.429 1.00 0.00 C ATOM 810 C GLY A 75 13.144 5.699 -6.020 1.00 0.00 C ATOM 811 O GLY A 75 13.593 4.892 -6.833 1.00 0.00 O ATOM 0 H GLY A 75 10.479 6.414 -5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.475 6.274 -7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.562 7.590 -6.834 1.00 0.00 H new ATOM 815 N ARG A 76 13.549 5.752 -4.756 1.00 0.00 N ATOM 816 CA ARG A 76 14.567 4.844 -4.241 1.00 0.00 C ATOM 817 C ARG A 76 13.996 3.442 -4.044 1.00 0.00 C ATOM 818 O ARG A 76 12.833 3.281 -3.676 1.00 0.00 O ATOM 819 CB ARG A 76 15.132 5.371 -2.919 1.00 0.00 C ATOM 820 CG ARG A 76 16.623 5.665 -2.969 1.00 0.00 C ATOM 821 CD ARG A 76 17.375 4.950 -1.857 1.00 0.00 C ATOM 822 NE ARG A 76 18.670 4.449 -2.306 1.00 0.00 N ATOM 823 CZ ARG A 76 19.659 4.106 -1.483 1.00 0.00 C ATOM 824 NH1 ARG A 76 19.503 4.207 -0.168 1.00 0.00 N ATOM 825 NH2 ARG A 76 20.807 3.659 -1.976 1.00 0.00 N ATOM 0 H ARG A 76 13.188 6.414 -4.069 1.00 0.00 H new ATOM 0 HA ARG A 76 15.373 4.788 -4.973 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.600 6.281 -2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.940 4.639 -2.134 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.022 5.357 -3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.785 6.740 -2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.521 5.634 -1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.773 4.119 -1.488 1.00 0.00 H new ATOM 0 HE ARG A 76 18.827 4.356 -3.310 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.622 4.549 0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 76 20.264 3.943 0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.932 3.578 -2.985 1.00 0.00 H new ATOM 0 HH22 ARG A 76 21.565 3.396 -1.346 1.00 0.00 H new ATOM 839 N SER A 77 14.823 2.430 -4.293 1.00 0.00 N ATOM 840 CA SER A 77 14.399 1.043 -4.141 1.00 0.00 C ATOM 841 C SER A 77 14.550 0.583 -2.696 1.00 0.00 C ATOM 842 O SER A 77 15.417 1.067 -1.967 1.00 0.00 O ATOM 843 CB SER A 77 15.213 0.135 -5.065 1.00 0.00 C ATOM 844 OG SER A 77 14.567 -0.032 -6.316 1.00 0.00 O ATOM 0 H SER A 77 15.789 2.545 -4.600 1.00 0.00 H new ATOM 0 HA SER A 77 13.346 0.979 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.204 0.562 -5.218 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.354 -0.837 -4.593 1.00 0.00 H new ATOM 0 HG SER A 77 15.108 -0.615 -6.888 1.00 0.00 H new ATOM 850 N ILE A 78 13.701 -0.354 -2.285 1.00 0.00 N ATOM 851 CA ILE A 78 13.741 -0.879 -0.925 1.00 0.00 C ATOM 852 C ILE A 78 13.674 -2.406 -0.910 1.00 0.00 C ATOM 853 O ILE A 78 13.474 -3.013 0.141 1.00 0.00 O ATOM 854 CB ILE A 78 12.583 -0.320 -0.076 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.236 -0.757 -0.657 1.00 0.00 C ATOM 856 CG2 ILE A 78 12.667 1.197 0.001 1.00 0.00 C ATOM 857 CD1 ILE A 78 10.766 -2.101 -0.145 1.00 0.00 C ATOM 0 H ILE A 78 12.977 -0.765 -2.874 1.00 0.00 H new ATOM 0 HA ILE A 78 14.691 -0.560 -0.496 1.00 0.00 H new ATOM 0 HB ILE A 78 12.667 -0.721 0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.485 -0.004 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.314 -0.798 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.842 1.577 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.614 1.486 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.605 1.616 -1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.806 -2.347 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.497 -2.866 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.656 -2.059 0.939 1.00 0.00 H new ATOM 869 N LYS A 79 13.840 -3.020 -2.077 1.00 0.00 N ATOM 870 CA LYS A 79 13.793 -4.474 -2.185 1.00 0.00 C ATOM 871 C LYS A 79 14.999 -5.107 -1.499 1.00 0.00 C ATOM 872 O LYS A 79 14.915 -6.217 -0.973 1.00 0.00 O ATOM 873 CB LYS A 79 13.742 -4.896 -3.655 1.00 0.00 C ATOM 874 CG LYS A 79 12.356 -5.310 -4.121 1.00 0.00 C ATOM 875 CD LYS A 79 11.908 -6.602 -3.457 1.00 0.00 C ATOM 876 CE LYS A 79 10.895 -7.346 -4.313 1.00 0.00 C ATOM 877 NZ LYS A 79 11.536 -7.992 -5.493 1.00 0.00 N ATOM 0 H LYS A 79 14.008 -2.535 -2.959 1.00 0.00 H new ATOM 0 HA LYS A 79 12.890 -4.824 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.093 -4.070 -4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.431 -5.726 -3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.643 -4.517 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.358 -5.438 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.774 -7.240 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.470 -6.379 -2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.396 -8.105 -3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.126 -6.652 -4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.882 -8.688 -5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.765 -7.268 -6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.409 -8.472 -5.194 1.00 0.00 H new ATOM 891 N GLY A 80 16.122 -4.395 -1.510 1.00 0.00 N ATOM 892 CA GLY A 80 17.329 -4.905 -0.886 1.00 0.00 C ATOM 893 C GLY A 80 17.635 -4.217 0.430 1.00 0.00 C ATOM 894 O GLY A 80 18.798 -4.087 0.813 1.00 0.00 O ATOM 0 H GLY A 80 16.217 -3.475 -1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.222 -5.976 -0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.170 -4.772 -1.566 1.00 0.00 H new ATOM 898 N LYS A 81 16.590 -3.776 1.123 1.00 0.00 N ATOM 899 CA LYS A 81 16.753 -3.097 2.404 1.00 0.00 C ATOM 900 C LYS A 81 15.969 -3.811 3.502 1.00 0.00 C ATOM 901 O LYS A 81 15.053 -4.583 3.220 1.00 0.00 O ATOM 902 CB LYS A 81 16.292 -1.642 2.296 1.00 0.00 C ATOM 903 CG LYS A 81 16.946 -0.879 1.156 1.00 0.00 C ATOM 904 CD LYS A 81 18.153 -0.088 1.631 1.00 0.00 C ATOM 905 CE LYS A 81 17.926 1.411 1.505 1.00 0.00 C ATOM 906 NZ LYS A 81 19.021 2.195 2.139 1.00 0.00 N ATOM 0 H LYS A 81 15.621 -3.877 0.819 1.00 0.00 H new ATOM 0 HA LYS A 81 17.811 -3.117 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.210 -1.621 2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.507 -1.131 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.252 -1.578 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.220 -0.201 0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 81 18.366 -0.338 2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 81 19.028 -0.374 1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.851 1.679 0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.976 1.674 1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.704 3.174 2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 19.271 1.766 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 19.854 2.193 1.517 1.00 0.00 H new ATOM 920 N THR A 82 16.336 -3.547 4.751 1.00 0.00 N ATOM 921 CA THR A 82 15.667 -4.164 5.890 1.00 0.00 C ATOM 922 C THR A 82 14.636 -3.216 6.494 1.00 0.00 C ATOM 923 O THR A 82 14.507 -2.070 6.064 1.00 0.00 O ATOM 924 CB THR A 82 16.692 -4.567 6.952 1.00 0.00 C ATOM 925 OG1 THR A 82 17.840 -3.739 6.881 1.00 0.00 O ATOM 926 CG2 THR A 82 17.153 -6.002 6.826 1.00 0.00 C ATOM 0 H THR A 82 17.093 -2.910 5.000 1.00 0.00 H new ATOM 0 HA THR A 82 15.150 -5.056 5.537 1.00 0.00 H new ATOM 0 HB THR A 82 16.179 -4.450 7.907 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.483 -4.011 7.569 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.878 -6.221 7.609 1.00 0.00 H new ATOM 0 HG22 THR A 82 16.297 -6.669 6.927 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.616 -6.151 5.851 1.00 0.00 H new ATOM 934 N LYS A 83 13.905 -3.702 7.492 1.00 0.00 N ATOM 935 CA LYS A 83 12.886 -2.896 8.153 1.00 0.00 C ATOM 936 C LYS A 83 13.502 -1.653 8.787 1.00 0.00 C ATOM 937 O LYS A 83 12.870 -0.600 8.855 1.00 0.00 O ATOM 938 CB LYS A 83 12.161 -3.722 9.219 1.00 0.00 C ATOM 939 CG LYS A 83 13.097 -4.375 10.221 1.00 0.00 C ATOM 940 CD LYS A 83 12.479 -4.424 11.610 1.00 0.00 C ATOM 941 CE LYS A 83 13.450 -4.991 12.632 1.00 0.00 C ATOM 942 NZ LYS A 83 13.581 -6.470 12.514 1.00 0.00 N ATOM 0 H LYS A 83 13.999 -4.649 7.860 1.00 0.00 H new ATOM 0 HA LYS A 83 12.166 -2.578 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.462 -3.078 9.753 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.570 -4.496 8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.336 -5.386 9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.035 -3.822 10.258 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.177 -3.421 11.911 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.576 -5.035 11.586 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.428 -4.528 12.499 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.110 -4.736 13.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.252 -6.817 13.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.653 -6.914 12.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.930 -6.713 11.565 1.00 0.00 H new ATOM 956 N VAL A 84 14.742 -1.784 9.250 1.00 0.00 N ATOM 957 CA VAL A 84 15.443 -0.669 9.876 1.00 0.00 C ATOM 958 C VAL A 84 15.878 0.357 8.836 1.00 0.00 C ATOM 959 O VAL A 84 15.837 1.562 9.083 1.00 0.00 O ATOM 960 CB VAL A 84 16.681 -1.148 10.659 1.00 0.00 C ATOM 961 CG1 VAL A 84 16.267 -2.048 11.815 1.00 0.00 C ATOM 962 CG2 VAL A 84 17.655 -1.867 9.738 1.00 0.00 C ATOM 0 H VAL A 84 15.280 -2.649 9.203 1.00 0.00 H new ATOM 0 HA VAL A 84 14.743 -0.206 10.571 1.00 0.00 H new ATOM 0 HB VAL A 84 17.186 -0.274 11.070 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.154 -2.376 12.356 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.614 -1.496 12.490 1.00 0.00 H new ATOM 0 HG13 VAL A 84 15.736 -2.917 11.427 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.522 -2.197 10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.164 -2.732 9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 84 17.979 -1.188 8.949 1.00 0.00 H new ATOM 972 N GLU A 85 16.293 -0.129 7.670 1.00 0.00 N ATOM 973 CA GLU A 85 16.734 0.746 6.590 1.00 0.00 C ATOM 974 C GLU A 85 15.557 1.522 6.010 1.00 0.00 C ATOM 975 O GLU A 85 15.612 2.745 5.877 1.00 0.00 O ATOM 976 CB GLU A 85 17.416 -0.071 5.490 1.00 0.00 C ATOM 977 CG GLU A 85 18.747 -0.671 5.915 1.00 0.00 C ATOM 978 CD GLU A 85 19.933 0.081 5.342 1.00 0.00 C ATOM 979 OE1 GLU A 85 19.816 0.610 4.218 1.00 0.00 O ATOM 980 OE2 GLU A 85 20.981 0.137 6.020 1.00 0.00 O ATOM 0 H GLU A 85 16.333 -1.124 7.449 1.00 0.00 H new ATOM 0 HA GLU A 85 17.451 1.458 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.748 -0.874 5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.575 0.567 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.811 -0.670 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.792 -1.712 5.594 1.00 0.00 H new ATOM 987 N VAL A 86 14.495 0.803 5.664 1.00 0.00 N ATOM 988 CA VAL A 86 13.304 1.424 5.097 1.00 0.00 C ATOM 989 C VAL A 86 12.667 2.395 6.086 1.00 0.00 C ATOM 990 O VAL A 86 12.148 3.441 5.695 1.00 0.00 O ATOM 991 CB VAL A 86 12.259 0.367 4.687 1.00 0.00 C ATOM 992 CG1 VAL A 86 12.671 -0.315 3.390 1.00 0.00 C ATOM 993 CG2 VAL A 86 12.059 -0.655 5.799 1.00 0.00 C ATOM 0 H VAL A 86 14.435 -0.210 5.766 1.00 0.00 H new ATOM 0 HA VAL A 86 13.624 1.970 4.210 1.00 0.00 H new ATOM 0 HB VAL A 86 11.307 0.872 4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.922 -1.058 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.752 0.429 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.635 -0.805 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.318 -1.391 5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.004 -1.157 6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.712 -0.149 6.700 1.00 0.00 H new ATOM 1003 N ALA A 87 12.711 2.044 7.367 1.00 0.00 N ATOM 1004 CA ALA A 87 12.140 2.886 8.410 1.00 0.00 C ATOM 1005 C ALA A 87 12.853 4.233 8.476 1.00 0.00 C ATOM 1006 O ALA A 87 12.213 5.285 8.474 1.00 0.00 O ATOM 1007 CB ALA A 87 12.213 2.182 9.757 1.00 0.00 C ATOM 0 H ALA A 87 13.137 1.182 7.707 1.00 0.00 H new ATOM 0 HA ALA A 87 11.094 3.068 8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.783 2.823 10.526 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.655 1.247 9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.254 1.971 10.001 1.00 0.00 H new ATOM 1013 N LYS A 88 14.179 4.192 8.532 1.00 0.00 N ATOM 1014 CA LYS A 88 14.979 5.409 8.596 1.00 0.00 C ATOM 1015 C LYS A 88 14.817 6.231 7.321 1.00 0.00 C ATOM 1016 O LYS A 88 14.878 7.460 7.350 1.00 0.00 O ATOM 1017 CB LYS A 88 16.454 5.066 8.814 1.00 0.00 C ATOM 1018 CG LYS A 88 16.906 5.219 10.258 1.00 0.00 C ATOM 1019 CD LYS A 88 16.973 3.875 10.967 1.00 0.00 C ATOM 1020 CE LYS A 88 18.342 3.234 10.815 1.00 0.00 C ATOM 1021 NZ LYS A 88 19.189 3.436 12.024 1.00 0.00 N ATOM 0 H LYS A 88 14.723 3.329 8.534 1.00 0.00 H new ATOM 0 HA LYS A 88 14.626 6.004 9.438 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.631 4.040 8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.066 5.708 8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.886 5.695 10.285 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.217 5.877 10.788 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.748 4.009 12.025 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.211 3.210 10.561 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.224 2.166 10.629 1.00 0.00 H new ATOM 0 HE3 LYS A 88 18.845 3.656 9.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 20.114 2.984 11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 19.323 4.454 12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 18.721 3.011 12.850 1.00 0.00 H new ATOM 1035 N MET A 89 14.612 5.543 6.201 1.00 0.00 N ATOM 1036 CA MET A 89 14.439 6.209 4.916 1.00 0.00 C ATOM 1037 C MET A 89 13.232 7.140 4.945 1.00 0.00 C ATOM 1038 O MET A 89 13.347 8.332 4.660 1.00 0.00 O ATOM 1039 CB MET A 89 14.275 5.175 3.800 1.00 0.00 C ATOM 1040 CG MET A 89 14.125 5.790 2.418 1.00 0.00 C ATOM 1041 SD MET A 89 15.399 5.239 1.266 1.00 0.00 S ATOM 1042 CE MET A 89 14.740 3.651 0.766 1.00 0.00 C ATOM 0 H MET A 89 14.562 4.525 6.159 1.00 0.00 H new ATOM 0 HA MET A 89 15.330 6.805 4.720 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.140 4.511 3.801 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.400 4.560 4.012 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.144 5.536 2.017 1.00 0.00 H new ATOM 0 HG3 MET A 89 14.163 6.876 2.502 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.487 3.115 0.180 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.486 3.067 1.651 1.00 0.00 H new ATOM 0 HE3 MET A 89 13.845 3.802 0.162 1.00 0.00 H new ATOM 1052 N ILE A 90 12.075 6.586 5.293 1.00 0.00 N ATOM 1053 CA ILE A 90 10.845 7.366 5.364 1.00 0.00 C ATOM 1054 C ILE A 90 10.980 8.512 6.361 1.00 0.00 C ATOM 1055 O ILE A 90 10.653 9.658 6.053 1.00 0.00 O ATOM 1056 CB ILE A 90 9.645 6.486 5.766 1.00 0.00 C ATOM 1057 CG1 ILE A 90 9.541 5.272 4.839 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.353 7.292 5.737 1.00 0.00 C ATOM 1059 CD1 ILE A 90 9.462 5.635 3.373 1.00 0.00 C ATOM 0 H ILE A 90 11.964 5.600 5.530 1.00 0.00 H new ATOM 0 HA ILE A 90 10.668 7.773 4.369 1.00 0.00 H new ATOM 0 HB ILE A 90 9.803 6.133 6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.406 4.628 4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 90 8.658 4.693 5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.518 6.652 6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.428 8.125 6.436 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.186 7.676 4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 90 9.390 4.726 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.582 6.254 3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.357 6.187 3.086 1.00 0.00 H new ATOM 1071 N GLN A 91 11.466 8.194 7.556 1.00 0.00 N ATOM 1072 CA GLN A 91 11.646 9.198 8.599 1.00 0.00 C ATOM 1073 C GLN A 91 12.603 10.295 8.139 1.00 0.00 C ATOM 1074 O GLN A 91 12.524 11.433 8.601 1.00 0.00 O ATOM 1075 CB GLN A 91 12.176 8.545 9.878 1.00 0.00 C ATOM 1076 CG GLN A 91 11.206 7.552 10.499 1.00 0.00 C ATOM 1077 CD GLN A 91 11.628 7.117 11.889 1.00 0.00 C ATOM 1078 OE1 GLN A 91 12.804 7.191 12.245 1.00 0.00 O ATOM 1079 NE2 GLN A 91 10.666 6.661 12.683 1.00 0.00 N ATOM 0 H GLN A 91 11.742 7.250 7.827 1.00 0.00 H new ATOM 0 HA GLN A 91 10.676 9.650 8.805 1.00 0.00 H new ATOM 0 HB2 GLN A 91 13.113 8.034 9.655 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.403 9.323 10.607 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.214 8.001 10.548 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.128 6.675 9.856 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.704 6.617 12.346 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.889 6.355 13.630 1.00 0.00 H new ATOM 1088 N GLU A 92 13.508 9.943 7.231 1.00 0.00 N ATOM 1089 CA GLU A 92 14.480 10.898 6.711 1.00 0.00 C ATOM 1090 C GLU A 92 13.845 11.812 5.667 1.00 0.00 C ATOM 1091 O GLU A 92 14.101 13.016 5.644 1.00 0.00 O ATOM 1092 CB GLU A 92 15.672 10.161 6.098 1.00 0.00 C ATOM 1093 CG GLU A 92 16.691 9.693 7.124 1.00 0.00 C ATOM 1094 CD GLU A 92 17.893 10.614 7.213 1.00 0.00 C ATOM 1095 OE1 GLU A 92 18.290 11.174 6.169 1.00 0.00 O ATOM 1096 OE2 GLU A 92 18.436 10.776 8.325 1.00 0.00 O ATOM 0 H GLU A 92 13.588 9.004 6.840 1.00 0.00 H new ATOM 0 HA GLU A 92 14.826 11.512 7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.307 9.298 5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.165 10.818 5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.214 9.629 8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 92 17.026 8.688 6.866 1.00 0.00 H new ATOM 1103 N VAL A 93 13.014 11.232 4.807 1.00 0.00 N ATOM 1104 CA VAL A 93 12.342 11.995 3.761 1.00 0.00 C ATOM 1105 C VAL A 93 11.491 13.111 4.356 1.00 0.00 C ATOM 1106 O VAL A 93 10.902 12.955 5.426 1.00 0.00 O ATOM 1107 CB VAL A 93 11.448 11.090 2.891 1.00 0.00 C ATOM 1108 CG1 VAL A 93 10.878 11.870 1.716 1.00 0.00 C ATOM 1109 CG2 VAL A 93 12.224 9.875 2.408 1.00 0.00 C ATOM 0 H VAL A 93 12.790 10.237 4.814 1.00 0.00 H new ATOM 0 HA VAL A 93 13.122 12.430 3.136 1.00 0.00 H new ATOM 0 HB VAL A 93 10.616 10.740 3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.250 11.214 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.281 12.703 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.694 12.253 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.575 9.249 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.079 10.201 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.575 9.303 3.267 1.00 0.00 H new ATOM 1119 N LYS A 94 11.429 14.239 3.654 1.00 0.00 N ATOM 1120 CA LYS A 94 10.648 15.382 4.111 1.00 0.00 C ATOM 1121 C LYS A 94 9.723 15.884 3.008 1.00 0.00 C ATOM 1122 O LYS A 94 10.009 15.720 1.821 1.00 0.00 O ATOM 1123 CB LYS A 94 11.575 16.509 4.570 1.00 0.00 C ATOM 1124 CG LYS A 94 12.612 16.905 3.531 1.00 0.00 C ATOM 1125 CD LYS A 94 12.333 18.284 2.951 1.00 0.00 C ATOM 1126 CE LYS A 94 13.580 19.151 2.950 1.00 0.00 C ATOM 1127 NZ LYS A 94 13.625 20.061 1.771 1.00 0.00 N ATOM 0 H LYS A 94 11.911 14.385 2.767 1.00 0.00 H new ATOM 0 HA LYS A 94 10.036 15.060 4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.974 17.383 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.086 16.199 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.603 16.895 3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.622 16.168 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.959 18.182 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.550 18.772 3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.612 19.742 3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.465 18.514 2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.491 20.635 1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.621 19.497 0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.794 20.687 1.784 1.00 0.00 H new ATOM 1141 N GLY A 95 8.612 16.496 3.404 1.00 0.00 N ATOM 1142 CA GLY A 95 7.662 17.010 2.437 1.00 0.00 C ATOM 1143 C GLY A 95 6.836 15.912 1.797 1.00 0.00 C ATOM 1144 O GLY A 95 6.425 14.965 2.469 1.00 0.00 O ATOM 0 H GLY A 95 8.353 16.645 4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.998 17.721 2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.198 17.557 1.661 1.00 0.00 H new ATOM 1148 N GLU A 96 6.594 16.036 0.497 1.00 0.00 N ATOM 1149 CA GLU A 96 5.812 15.044 -0.231 1.00 0.00 C ATOM 1150 C GLU A 96 6.611 13.760 -0.425 1.00 0.00 C ATOM 1151 O GLU A 96 7.629 13.748 -1.117 1.00 0.00 O ATOM 1152 CB GLU A 96 5.379 15.598 -1.589 1.00 0.00 C ATOM 1153 CG GLU A 96 6.513 16.234 -2.376 1.00 0.00 C ATOM 1154 CD GLU A 96 6.527 17.746 -2.260 1.00 0.00 C ATOM 1155 OE1 GLU A 96 5.467 18.367 -2.486 1.00 0.00 O ATOM 1156 OE2 GLU A 96 7.597 18.308 -1.947 1.00 0.00 O ATOM 0 H GLU A 96 6.928 16.813 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 96 4.924 14.815 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.946 14.791 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.594 16.338 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.464 15.837 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.423 15.955 -3.426 1.00 0.00 H new ATOM 1163 N VAL A 97 6.144 12.680 0.193 1.00 0.00 N ATOM 1164 CA VAL A 97 6.814 11.389 0.089 1.00 0.00 C ATOM 1165 C VAL A 97 6.029 10.431 -0.798 1.00 0.00 C ATOM 1166 O VAL A 97 4.804 10.354 -0.714 1.00 0.00 O ATOM 1167 CB VAL A 97 7.009 10.747 1.476 1.00 0.00 C ATOM 1168 CG1 VAL A 97 7.855 9.487 1.367 1.00 0.00 C ATOM 1169 CG2 VAL A 97 7.639 11.740 2.441 1.00 0.00 C ATOM 0 H VAL A 97 5.304 12.673 0.771 1.00 0.00 H new ATOM 0 HA VAL A 97 7.790 11.573 -0.359 1.00 0.00 H new ATOM 0 HB VAL A 97 6.031 10.467 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.982 9.047 2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.358 8.771 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.832 9.739 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.769 11.268 3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.610 12.054 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 97 6.990 12.610 2.543 1.00 0.00 H new ATOM 1179 N THR A 98 6.743 9.700 -1.648 1.00 0.00 N ATOM 1180 CA THR A 98 6.113 8.746 -2.552 1.00 0.00 C ATOM 1181 C THR A 98 6.420 7.312 -2.130 1.00 0.00 C ATOM 1182 O THR A 98 7.544 6.997 -1.740 1.00 0.00 O ATOM 1183 CB THR A 98 6.586 8.980 -3.986 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.391 10.331 -4.366 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.875 8.110 -5.001 1.00 0.00 C ATOM 0 H THR A 98 7.759 9.751 -1.729 1.00 0.00 H new ATOM 0 HA THR A 98 5.035 8.897 -2.504 1.00 0.00 H new ATOM 0 HB THR A 98 7.644 8.719 -3.986 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.702 10.460 -5.286 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.258 8.327 -5.998 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.049 7.060 -4.766 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.805 8.316 -4.971 1.00 0.00 H new ATOM 1193 N ILE A 99 5.412 6.450 -2.210 1.00 0.00 N ATOM 1194 CA ILE A 99 5.573 5.050 -1.836 1.00 0.00 C ATOM 1195 C ILE A 99 5.121 4.126 -2.962 1.00 0.00 C ATOM 1196 O ILE A 99 3.980 4.199 -3.417 1.00 0.00 O ATOM 1197 CB ILE A 99 4.775 4.710 -0.561 1.00 0.00 C ATOM 1198 CG1 ILE A 99 4.969 5.797 0.499 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.198 3.351 -0.020 1.00 0.00 C ATOM 1200 CD1 ILE A 99 6.380 5.873 1.043 1.00 0.00 C ATOM 0 H ILE A 99 4.475 6.696 -2.530 1.00 0.00 H new ATOM 0 HA ILE A 99 6.635 4.896 -1.643 1.00 0.00 H new ATOM 0 HB ILE A 99 3.716 4.666 -0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.702 6.763 0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 99 4.280 5.614 1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.627 3.124 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.010 2.585 -0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.261 3.370 0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.440 6.666 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.644 4.921 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.073 6.087 0.229 1.00 0.00 H new ATOM 1212 N HIS A 100 6.022 3.256 -3.407 1.00 0.00 N ATOM 1213 CA HIS A 100 5.714 2.316 -4.480 1.00 0.00 C ATOM 1214 C HIS A 100 5.281 0.969 -3.912 1.00 0.00 C ATOM 1215 O HIS A 100 6.112 0.172 -3.479 1.00 0.00 O ATOM 1216 CB HIS A 100 6.928 2.131 -5.391 1.00 0.00 C ATOM 1217 CG HIS A 100 7.439 3.412 -5.975 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.068 3.874 -7.220 1.00 0.00 N ATOM 1219 CD2 HIS A 100 8.300 4.331 -5.477 1.00 0.00 C ATOM 1220 CE1 HIS A 100 7.678 5.019 -7.463 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.432 5.320 -6.422 1.00 0.00 N ATOM 0 H HIS A 100 6.971 3.182 -3.041 1.00 0.00 H new ATOM 0 HA HIS A 100 4.891 2.727 -5.064 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.728 1.655 -4.824 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.664 1.452 -6.201 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.422 3.404 -7.855 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.791 4.294 -4.516 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.577 5.610 -8.362 1.00 0.00 H new ATOM 1230 N TYR A 101 3.975 0.722 -3.915 1.00 0.00 N ATOM 1231 CA TYR A 101 3.431 -0.529 -3.398 1.00 0.00 C ATOM 1232 C TYR A 101 2.769 -1.336 -4.511 1.00 0.00 C ATOM 1233 O TYR A 101 2.321 -0.781 -5.514 1.00 0.00 O ATOM 1234 CB TYR A 101 2.421 -0.248 -2.284 1.00 0.00 C ATOM 1235 CG TYR A 101 1.188 0.492 -2.755 1.00 0.00 C ATOM 1236 CD1 TYR A 101 1.167 1.880 -2.810 1.00 0.00 C ATOM 1237 CD2 TYR A 101 0.046 -0.198 -3.142 1.00 0.00 C ATOM 1238 CE1 TYR A 101 0.041 2.559 -3.238 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -1.082 0.473 -3.573 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.079 1.853 -3.618 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.199 2.526 -4.046 1.00 0.00 O ATOM 0 H TYR A 101 3.273 1.372 -4.270 1.00 0.00 H new ATOM 0 HA TYR A 101 4.255 -1.115 -2.991 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.117 -1.193 -1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.908 0.335 -1.502 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.044 2.437 -2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.040 -1.277 -3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 101 0.040 3.638 -3.274 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -1.961 -0.078 -3.873 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.900 1.881 -4.278 1.00 0.00 H new ATOM 1251 N ASN A 102 2.709 -2.651 -4.323 1.00 0.00 N ATOM 1252 CA ASN A 102 2.100 -3.536 -5.308 1.00 0.00 C ATOM 1253 C ASN A 102 0.850 -4.203 -4.742 1.00 0.00 C ATOM 1254 O ASN A 102 0.910 -4.893 -3.724 1.00 0.00 O ATOM 1255 CB ASN A 102 3.101 -4.602 -5.758 1.00 0.00 C ATOM 1256 CG ASN A 102 4.134 -4.055 -6.722 1.00 0.00 C ATOM 1257 OD1 ASN A 102 3.872 -3.916 -7.917 1.00 0.00 O ATOM 1258 ND2 ASN A 102 5.318 -3.741 -6.208 1.00 0.00 N ATOM 0 H ASN A 102 3.075 -3.126 -3.498 1.00 0.00 H new ATOM 0 HA ASN A 102 1.811 -2.933 -6.169 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.606 -5.014 -4.884 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.564 -5.423 -6.233 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.053 -3.369 -6.810 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.492 -3.872 -5.212 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.282 -3.992 -5.406 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.545 -4.572 -4.967 1.00 0.00 C ATOM 1267 C LYS A 103 -1.627 -6.048 -5.343 1.00 0.00 C ATOM 1268 O LYS A 103 -1.282 -6.434 -6.458 1.00 0.00 O ATOM 1269 CB LYS A 103 -2.720 -3.810 -5.582 1.00 0.00 C ATOM 1270 CG LYS A 103 -3.913 -3.671 -4.648 1.00 0.00 C ATOM 1271 CD LYS A 103 -4.261 -2.212 -4.396 1.00 0.00 C ATOM 1272 CE LYS A 103 -5.764 -1.986 -4.425 1.00 0.00 C ATOM 1273 NZ LYS A 103 -6.272 -1.804 -5.814 1.00 0.00 N ATOM 0 H LYS A 103 -0.350 -3.423 -6.250 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.596 -4.490 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.383 -2.816 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.038 -4.322 -6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.774 -4.182 -5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.693 -4.162 -3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.864 -1.904 -3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.783 -1.587 -5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.268 -2.835 -3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.010 -1.106 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.301 -1.653 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.810 -0.979 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.060 -2.653 -6.375 1.00 0.00 H new ATOM 1287 N LEU A 104 -2.086 -6.868 -4.402 1.00 0.00 N ATOM 1288 CA LEU A 104 -2.212 -8.302 -4.635 1.00 0.00 C ATOM 1289 C LEU A 104 -3.453 -8.857 -3.943 1.00 0.00 C ATOM 1290 O LEU A 104 -4.017 -8.221 -3.051 1.00 0.00 O ATOM 1291 CB LEU A 104 -0.965 -9.034 -4.135 1.00 0.00 C ATOM 1292 CG LEU A 104 0.336 -8.655 -4.846 1.00 0.00 C ATOM 1293 CD1 LEU A 104 1.098 -7.611 -4.044 1.00 0.00 C ATOM 1294 CD2 LEU A 104 1.199 -9.889 -5.072 1.00 0.00 C ATOM 0 H LEU A 104 -2.376 -6.564 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.312 -8.463 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.850 -8.837 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.123 -10.107 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 104 0.086 -8.227 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.020 -7.354 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.483 -6.718 -3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.337 -8.012 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.120 -9.601 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.440 -10.345 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.655 -10.606 -5.688 1.00 0.00 H new ATOM 1307 N GLU B 121 9.210 -8.057 15.413 1.00 0.00 N ATOM 1308 CA GLU B 121 9.535 -6.690 15.797 1.00 0.00 C ATOM 1309 C GLU B 121 9.401 -5.744 14.607 1.00 0.00 C ATOM 1310 O GLU B 121 10.380 -5.452 13.920 1.00 0.00 O ATOM 1311 CB GLU B 121 10.957 -6.619 16.361 1.00 0.00 C ATOM 1312 CG GLU B 121 11.036 -6.915 17.850 1.00 0.00 C ATOM 1313 CD GLU B 121 12.006 -6.002 18.574 1.00 0.00 C ATOM 1314 OE1 GLU B 121 13.158 -5.869 18.108 1.00 0.00 O ATOM 1315 OE2 GLU B 121 11.616 -5.421 19.608 1.00 0.00 O ATOM 0 HA GLU B 121 8.830 -6.379 16.568 1.00 0.00 H new ATOM 0 HB2 GLU B 121 11.588 -7.328 15.824 1.00 0.00 H new ATOM 0 HB3 GLU B 121 11.364 -5.625 16.174 1.00 0.00 H new ATOM 0 HG2 GLU B 121 10.045 -6.809 18.291 1.00 0.00 H new ATOM 0 HG3 GLU B 121 11.341 -7.951 17.995 1.00 0.00 H new ATOM 1322 N SER B 122 8.183 -5.269 14.368 1.00 0.00 N ATOM 1323 CA SER B 122 7.920 -4.357 13.262 1.00 0.00 C ATOM 1324 C SER B 122 8.295 -2.927 13.633 1.00 0.00 C ATOM 1325 O SER B 122 8.565 -2.627 14.796 1.00 0.00 O ATOM 1326 CB SER B 122 6.446 -4.423 12.857 1.00 0.00 C ATOM 1327 OG SER B 122 5.622 -4.690 13.977 1.00 0.00 O ATOM 0 H SER B 122 7.362 -5.501 14.927 1.00 0.00 H new ATOM 0 HA SER B 122 8.535 -4.666 12.417 1.00 0.00 H new ATOM 0 HB2 SER B 122 6.149 -3.479 12.399 1.00 0.00 H new ATOM 0 HB3 SER B 122 6.306 -5.200 12.105 1.00 0.00 H new ATOM 0 HG SER B 122 4.685 -4.726 13.693 1.00 0.00 H new ATOM 1333 N VAL B 123 8.308 -2.046 12.638 1.00 0.00 N ATOM 1334 CA VAL B 123 8.649 -0.647 12.858 1.00 0.00 C ATOM 1335 C VAL B 123 7.543 0.272 12.350 1.00 0.00 C ATOM 1336 O VAL B 123 7.041 0.101 11.239 1.00 0.00 O ATOM 1337 CB VAL B 123 9.972 -0.272 12.164 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.387 1.145 12.530 1.00 0.00 C ATOM 1339 CG2 VAL B 123 11.067 -1.266 12.526 1.00 0.00 C ATOM 0 H VAL B 123 8.086 -2.278 11.670 1.00 0.00 H new ATOM 0 HA VAL B 123 8.765 -0.515 13.934 1.00 0.00 H new ATOM 0 HB VAL B 123 9.818 -0.313 11.086 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.324 1.390 12.030 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.613 1.844 12.214 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.522 1.217 13.609 1.00 0.00 H new ATOM 0 HG21 VAL B 123 11.994 -0.984 12.026 1.00 0.00 H new ATOM 0 HG22 VAL B 123 11.221 -1.261 13.605 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.772 -2.265 12.206 1.00 0.00 H new ATOM 1349 N LYS B 124 7.167 1.248 13.171 1.00 0.00 N ATOM 1350 CA LYS B 124 6.120 2.195 12.803 1.00 0.00 C ATOM 1351 C LYS B 124 6.717 3.516 12.332 1.00 0.00 C ATOM 1352 O LYS B 124 7.455 4.171 13.068 1.00 0.00 O ATOM 1353 CB LYS B 124 5.187 2.438 13.991 1.00 0.00 C ATOM 1354 CG LYS B 124 3.755 2.746 13.586 1.00 0.00 C ATOM 1355 CD LYS B 124 3.637 4.129 12.966 1.00 0.00 C ATOM 1356 CE LYS B 124 4.024 5.217 13.955 1.00 0.00 C ATOM 1357 NZ LYS B 124 3.304 5.071 15.250 1.00 0.00 N ATOM 0 H LYS B 124 7.571 1.404 14.094 1.00 0.00 H new ATOM 0 HA LYS B 124 5.549 1.765 11.980 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.193 1.557 14.633 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.575 3.267 14.583 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.408 1.996 12.875 1.00 0.00 H new ATOM 0 HG3 LYS B 124 3.107 2.681 14.460 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.278 4.191 12.086 1.00 0.00 H new ATOM 0 HD3 LYS B 124 2.614 4.291 12.627 1.00 0.00 H new ATOM 0 HE2 LYS B 124 5.099 5.182 14.131 1.00 0.00 H new ATOM 0 HE3 LYS B 124 3.803 6.194 13.525 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 3.392 5.951 15.797 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 2.299 4.875 15.068 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 3.718 4.285 15.790 1.00 0.00 H new ATOM 1371 N ILE B 125 6.395 3.900 11.102 1.00 0.00 N ATOM 1372 CA ILE B 125 6.900 5.145 10.532 1.00 0.00 C ATOM 1373 C ILE B 125 5.803 5.887 9.774 1.00 0.00 C ATOM 1374 O ILE B 125 6.143 6.696 8.886 1.00 0.00 O ATOM 1375 CB ILE B 125 8.083 4.890 9.580 1.00 0.00 C ATOM 1376 CG1 ILE B 125 7.709 3.839 8.533 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.310 4.450 10.365 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.162 4.430 7.252 1.00 0.00 C ATOM 1379 OXT ILE B 125 4.614 5.651 10.075 1.00 0.00 O ATOM 0 H ILE B 125 5.787 3.368 10.480 1.00 0.00 H new ATOM 0 HA ILE B 125 7.241 5.758 11.366 1.00 0.00 H new ATOM 0 HB ILE B 125 8.320 5.820 9.064 1.00 0.00 H new ATOM 0 HG12 ILE B 125 8.590 3.240 8.300 1.00 0.00 H new ATOM 0 HG13 ILE B 125 6.967 3.163 8.958 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.138 4.274 9.678 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.587 5.230 11.074 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.085 3.531 10.906 1.00 0.00 H new ATOM 0 HD11 ILE B 125 6.918 3.627 6.556 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.263 5.005 7.472 1.00 0.00 H new ATOM 0 HD13 ILE B 125 7.910 5.084 6.804 1.00 0.00 H new