USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 624 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 33 SER OG : rot 107:sc= 0.971 USER MOD Set 1.2: A 56 GLN : amide:sc= -3.58 K(o=-7.9,f=-19!) USER MOD Set 1.3: A 62 SER OG : rot -134:sc= -5.26! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -7.09! C(o=-7.1!,f=-8.8!) USER MOD Single : A 25 ASN : amide:sc=-0.00256 K(o=-0.0026,f=-0.97) USER MOD Single : A 27 LYS NZ :NH3+ -101:sc= -0.0643 (180deg=-0.132) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 37:sc= -1.28! USER MOD Single : A 43 THR OG1 : rot 130:sc= -1.69! USER MOD Single : A 49 MET CE :methyl 154:sc= -0.135 (180deg=-0.812) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= 0.00351 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -156:sc= -0.0515 (180deg=-0.849) USER MOD Single : A 60 MET CE :methyl -157:sc= -0.0741 (180deg=-0.549) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -5.69! C(o=-5.7!,f=-3.8!) USER MOD Single : A 76 GLN : amide:sc= -4.13! C(o=-4.1!,f=-6.4!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 83 MET CE :methyl -169:sc= -4.56! (180deg=-4.56!) USER MOD Single : A 86 ASN : amide:sc= -0.225 K(o=-0.23,f=-1.1!) USER MOD Single : A 92 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.0018) USER MOD Single : A 95 GLN : amide:sc= -0.942 X(o=-0.94,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 21 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLU A 21 3.560 -0.233 -0.971 1.00 0.00 C ATOM 4 O GLU A 21 4.281 0.695 -0.606 1.00 0.00 O ATOM 5 CB GLU A 21 1.855 1.304 -2.016 1.00 0.00 C ATOM 6 CG GLU A 21 0.431 1.382 -2.569 1.00 0.00 C ATOM 7 CD GLU A 21 -0.260 2.673 -2.123 1.00 0.00 C ATOM 8 OE1 GLU A 21 -0.231 3.011 -0.930 1.00 0.00 O ATOM 9 OE2 GLU A 21 -0.841 3.334 -3.065 1.00 0.00 O ATOM 0 HA GLU A 21 1.706 -0.817 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.041 2.154 -1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.571 1.371 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.457 1.336 -3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.143 0.521 -2.227 1.00 0.00 H new ATOM 17 N THR A 22 3.976 -1.477 -1.158 1.00 0.00 N ATOM 18 CA THR A 22 5.365 -1.843 -0.935 1.00 0.00 C ATOM 19 C THR A 22 6.190 -1.598 -2.199 1.00 0.00 C ATOM 20 O THR A 22 5.829 -2.060 -3.280 1.00 0.00 O ATOM 21 CB THR A 22 5.400 -3.297 -0.459 1.00 0.00 C ATOM 22 OG1 THR A 22 5.840 -3.209 0.894 1.00 0.00 O ATOM 23 CG2 THR A 22 6.490 -4.114 -1.153 1.00 0.00 C ATOM 0 H THR A 22 3.376 -2.244 -1.461 1.00 0.00 H new ATOM 0 HA THR A 22 5.819 -1.222 -0.163 1.00 0.00 H new ATOM 0 HB THR A 22 4.430 -3.761 -0.638 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.889 -4.108 1.281 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.471 -5.138 -0.779 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.313 -4.117 -2.229 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.464 -3.670 -0.947 1.00 0.00 H new ATOM 31 N HIS A 23 7.284 -0.871 -2.022 1.00 0.00 N ATOM 32 CA HIS A 23 8.164 -0.559 -3.135 1.00 0.00 C ATOM 33 C HIS A 23 9.171 -1.694 -3.327 1.00 0.00 C ATOM 34 O HIS A 23 9.917 -2.030 -2.408 1.00 0.00 O ATOM 35 CB HIS A 23 8.835 0.801 -2.932 1.00 0.00 C ATOM 36 CG HIS A 23 7.865 1.953 -2.813 1.00 0.00 C ATOM 37 ND1 HIS A 23 6.532 1.850 -3.169 1.00 0.00 N ATOM 38 CD2 HIS A 23 8.049 3.231 -2.374 1.00 0.00 C ATOM 39 CE1 HIS A 23 5.949 3.020 -2.950 1.00 0.00 C ATOM 40 NE2 HIS A 23 6.892 3.874 -2.458 1.00 0.00 N ATOM 0 H HIS A 23 7.581 -0.489 -1.124 1.00 0.00 H new ATOM 0 HA HIS A 23 7.581 -0.478 -4.053 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.448 0.761 -2.032 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.508 0.991 -3.768 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.979 3.649 -2.018 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.910 3.256 -3.129 1.00 0.00 H new ATOM 0 HE2 HIS A 23 6.733 4.847 -2.197 1.00 0.00 H new ATOM 48 N ILE A 24 9.161 -2.255 -4.528 1.00 0.00 N ATOM 49 CA ILE A 24 10.064 -3.345 -4.852 1.00 0.00 C ATOM 50 C ILE A 24 10.257 -3.408 -6.368 1.00 0.00 C ATOM 51 O ILE A 24 9.712 -2.584 -7.102 1.00 0.00 O ATOM 52 CB ILE A 24 9.563 -4.656 -4.242 1.00 0.00 C ATOM 53 CG1 ILE A 24 8.215 -5.061 -4.843 1.00 0.00 C ATOM 54 CG2 ILE A 24 9.505 -4.563 -2.716 1.00 0.00 C ATOM 55 CD1 ILE A 24 7.923 -6.541 -4.588 1.00 0.00 C ATOM 0 H ILE A 24 8.541 -1.974 -5.288 1.00 0.00 H new ATOM 0 HA ILE A 24 11.045 -3.169 -4.412 1.00 0.00 H new ATOM 0 HB ILE A 24 10.275 -5.443 -4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.422 -4.451 -4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.218 -4.867 -5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.146 -5.508 -2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.501 -4.354 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.826 -3.761 -2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.959 -6.802 -5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.705 -7.150 -5.042 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.896 -6.727 -3.514 1.00 0.00 H new ATOM 67 N ASN A 25 11.035 -4.392 -6.794 1.00 0.00 N ATOM 68 CA ASN A 25 11.308 -4.573 -8.209 1.00 0.00 C ATOM 69 C ASN A 25 10.393 -5.666 -8.765 1.00 0.00 C ATOM 70 O ASN A 25 9.796 -6.427 -8.005 1.00 0.00 O ATOM 71 CB ASN A 25 12.757 -5.006 -8.441 1.00 0.00 C ATOM 72 CG ASN A 25 12.949 -6.484 -8.094 1.00 0.00 C ATOM 73 OD1 ASN A 25 12.829 -6.901 -6.954 1.00 0.00 O ATOM 74 ND2 ASN A 25 13.253 -7.250 -9.138 1.00 0.00 N ATOM 0 H ASN A 25 11.485 -5.073 -6.183 1.00 0.00 H new ATOM 0 HA ASN A 25 11.132 -3.621 -8.710 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.029 -4.835 -9.482 1.00 0.00 H new ATOM 0 HB3 ASN A 25 13.425 -4.396 -7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.401 -8.251 -9.010 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.338 -6.836 -10.066 1.00 0.00 H new ATOM 81 N LEU A 26 10.311 -5.710 -10.087 1.00 0.00 N ATOM 82 CA LEU A 26 9.479 -6.697 -10.753 1.00 0.00 C ATOM 83 C LEU A 26 10.256 -7.309 -11.920 1.00 0.00 C ATOM 84 O LEU A 26 10.869 -6.589 -12.707 1.00 0.00 O ATOM 85 CB LEU A 26 8.139 -6.081 -11.162 1.00 0.00 C ATOM 86 CG LEU A 26 7.524 -6.612 -12.458 1.00 0.00 C ATOM 87 CD1 LEU A 26 6.032 -6.898 -12.280 1.00 0.00 C ATOM 88 CD2 LEU A 26 7.790 -5.656 -13.623 1.00 0.00 C ATOM 0 H LEU A 26 10.807 -5.078 -10.715 1.00 0.00 H new ATOM 0 HA LEU A 26 9.234 -7.511 -10.071 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.426 -6.241 -10.353 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.272 -5.004 -11.261 1.00 0.00 H new ATOM 0 HG LEU A 26 8.006 -7.559 -12.702 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.619 -7.274 -13.216 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.895 -7.644 -11.497 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.516 -5.980 -12.000 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.342 -6.057 -14.532 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.352 -4.682 -13.402 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.865 -5.547 -13.766 1.00 0.00 H new ATOM 100 N LYS A 27 10.205 -8.631 -11.995 1.00 0.00 N ATOM 101 CA LYS A 27 10.896 -9.347 -13.053 1.00 0.00 C ATOM 102 C LYS A 27 9.889 -10.196 -13.831 1.00 0.00 C ATOM 103 O LYS A 27 9.435 -11.230 -13.342 1.00 0.00 O ATOM 104 CB LYS A 27 12.065 -10.151 -12.480 1.00 0.00 C ATOM 105 CG LYS A 27 12.994 -10.638 -13.594 1.00 0.00 C ATOM 106 CD LYS A 27 12.316 -11.717 -14.441 1.00 0.00 C ATOM 107 CE LYS A 27 13.243 -12.917 -14.646 1.00 0.00 C ATOM 108 NZ LYS A 27 13.179 -13.388 -16.047 1.00 0.00 N ATOM 0 H LYS A 27 9.696 -9.225 -11.340 1.00 0.00 H new ATOM 0 HA LYS A 27 11.337 -8.646 -13.762 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.626 -9.534 -11.778 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.684 -11.005 -11.920 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.279 -9.798 -14.228 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.912 -11.035 -13.160 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.397 -12.042 -13.954 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.034 -11.301 -15.408 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.267 -12.640 -14.396 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.957 -13.724 -13.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.569 -14.228 -16.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.788 -12.635 -16.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.135 -13.632 -16.375 1.00 0.00 H new ATOM 121 N VAL A 28 9.569 -9.729 -15.029 1.00 0.00 N ATOM 122 CA VAL A 28 8.624 -10.432 -15.879 1.00 0.00 C ATOM 123 C VAL A 28 9.383 -11.411 -16.777 1.00 0.00 C ATOM 124 O VAL A 28 10.204 -11.000 -17.595 1.00 0.00 O ATOM 125 CB VAL A 28 7.781 -9.428 -16.667 1.00 0.00 C ATOM 126 CG1 VAL A 28 7.499 -8.176 -15.835 1.00 0.00 C ATOM 127 CG2 VAL A 28 8.457 -9.066 -17.991 1.00 0.00 C ATOM 0 H VAL A 28 9.948 -8.872 -15.431 1.00 0.00 H new ATOM 0 HA VAL A 28 7.929 -11.016 -15.276 1.00 0.00 H new ATOM 0 HB VAL A 28 6.825 -9.899 -16.896 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.898 -7.479 -16.419 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.957 -8.454 -14.931 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.441 -7.701 -15.561 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.838 -8.351 -18.532 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.433 -8.623 -17.792 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.583 -9.966 -18.593 1.00 0.00 H new ATOM 137 N SER A 29 9.082 -12.688 -16.594 1.00 0.00 N ATOM 138 CA SER A 29 9.725 -13.729 -17.377 1.00 0.00 C ATOM 139 C SER A 29 8.921 -13.998 -18.651 1.00 0.00 C ATOM 140 O SER A 29 7.698 -14.113 -18.604 1.00 0.00 O ATOM 141 CB SER A 29 9.878 -15.016 -16.564 1.00 0.00 C ATOM 142 OG SER A 29 10.485 -16.058 -17.323 1.00 0.00 O ATOM 0 H SER A 29 8.401 -13.026 -15.914 1.00 0.00 H new ATOM 0 HA SER A 29 10.722 -13.384 -17.650 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.480 -14.815 -15.678 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.898 -15.344 -16.217 1.00 0.00 H new ATOM 0 HG SER A 29 10.567 -16.862 -16.768 1.00 0.00 H new ATOM 148 N ASP A 30 9.642 -14.090 -19.759 1.00 0.00 N ATOM 149 CA ASP A 30 9.011 -14.344 -21.043 1.00 0.00 C ATOM 150 C ASP A 30 10.068 -14.823 -22.040 1.00 0.00 C ATOM 151 O ASP A 30 11.201 -14.345 -22.026 1.00 0.00 O ATOM 152 CB ASP A 30 8.374 -13.071 -21.604 1.00 0.00 C ATOM 153 CG ASP A 30 7.384 -13.294 -22.749 1.00 0.00 C ATOM 154 OD1 ASP A 30 7.663 -14.042 -23.698 1.00 0.00 O ATOM 155 OD2 ASP A 30 6.270 -12.653 -22.639 1.00 0.00 O ATOM 0 H ASP A 30 10.657 -13.993 -19.794 1.00 0.00 H new ATOM 0 HA ASP A 30 8.239 -15.099 -20.896 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.860 -12.553 -20.795 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.167 -12.409 -21.953 1.00 0.00 H new ATOM 161 N GLY A 31 9.659 -15.760 -22.882 1.00 0.00 N ATOM 162 CA GLY A 31 10.557 -16.309 -23.884 1.00 0.00 C ATOM 163 C GLY A 31 11.747 -15.378 -24.123 1.00 0.00 C ATOM 164 O GLY A 31 12.857 -15.656 -23.673 1.00 0.00 O ATOM 0 H GLY A 31 8.718 -16.153 -22.891 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.915 -17.286 -23.560 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.016 -16.461 -24.818 1.00 0.00 H new ATOM 168 N SER A 32 11.474 -14.291 -24.830 1.00 0.00 N ATOM 169 CA SER A 32 12.509 -13.317 -25.134 1.00 0.00 C ATOM 170 C SER A 32 12.103 -11.940 -24.604 1.00 0.00 C ATOM 171 O SER A 32 12.864 -10.980 -24.716 1.00 0.00 O ATOM 172 CB SER A 32 12.776 -13.249 -26.639 1.00 0.00 C ATOM 173 OG SER A 32 14.103 -12.818 -26.927 1.00 0.00 O ATOM 0 H SER A 32 10.552 -14.063 -25.201 1.00 0.00 H new ATOM 0 HA SER A 32 13.430 -13.631 -24.643 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.610 -14.231 -27.081 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.064 -12.566 -27.103 1.00 0.00 H new ATOM 0 HG SER A 32 14.234 -12.789 -27.898 1.00 0.00 H new ATOM 179 N SER A 33 10.906 -11.888 -24.039 1.00 0.00 N ATOM 180 CA SER A 33 10.391 -10.645 -23.491 1.00 0.00 C ATOM 181 C SER A 33 10.916 -10.443 -22.069 1.00 0.00 C ATOM 182 O SER A 33 10.842 -9.341 -21.527 1.00 0.00 O ATOM 183 CB SER A 33 8.861 -10.632 -23.499 1.00 0.00 C ATOM 184 OG SER A 33 8.340 -9.519 -24.219 1.00 0.00 O ATOM 0 H SER A 33 10.278 -12.687 -23.949 1.00 0.00 H new ATOM 0 HA SER A 33 10.738 -9.824 -24.119 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.493 -11.556 -23.945 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.493 -10.604 -22.473 1.00 0.00 H new ATOM 0 HG SER A 33 7.966 -9.827 -25.071 1.00 0.00 H new ATOM 190 N GLU A 34 11.435 -11.523 -21.504 1.00 0.00 N ATOM 191 CA GLU A 34 11.972 -11.478 -20.155 1.00 0.00 C ATOM 192 C GLU A 34 12.672 -10.140 -19.907 1.00 0.00 C ATOM 193 O GLU A 34 13.749 -9.889 -20.445 1.00 0.00 O ATOM 194 CB GLU A 34 12.924 -12.649 -19.904 1.00 0.00 C ATOM 195 CG GLU A 34 14.230 -12.470 -20.682 1.00 0.00 C ATOM 196 CD GLU A 34 15.342 -11.945 -19.772 1.00 0.00 C ATOM 197 OE1 GLU A 34 15.069 -11.173 -18.841 1.00 0.00 O ATOM 198 OE2 GLU A 34 16.527 -12.368 -20.059 1.00 0.00 O ATOM 0 H GLU A 34 11.495 -12.435 -21.956 1.00 0.00 H new ATOM 0 HA GLU A 34 11.144 -11.569 -19.452 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.139 -12.726 -18.838 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.445 -13.582 -20.200 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.531 -13.422 -21.118 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.073 -11.776 -21.508 1.00 0.00 H new ATOM 206 N ILE A 35 12.030 -9.316 -19.091 1.00 0.00 N ATOM 207 CA ILE A 35 12.578 -8.010 -18.765 1.00 0.00 C ATOM 208 C ILE A 35 12.470 -7.779 -17.256 1.00 0.00 C ATOM 209 O ILE A 35 11.634 -8.386 -16.590 1.00 0.00 O ATOM 210 CB ILE A 35 11.903 -6.922 -19.603 1.00 0.00 C ATOM 211 CG1 ILE A 35 12.842 -5.733 -19.816 1.00 0.00 C ATOM 212 CG2 ILE A 35 10.572 -6.497 -18.981 1.00 0.00 C ATOM 213 CD1 ILE A 35 13.831 -6.011 -20.950 1.00 0.00 C ATOM 0 H ILE A 35 11.137 -9.527 -18.646 1.00 0.00 H new ATOM 0 HA ILE A 35 13.637 -7.966 -19.020 1.00 0.00 H new ATOM 0 HB ILE A 35 11.680 -7.337 -20.586 1.00 0.00 H new ATOM 0 HG12 ILE A 35 12.259 -4.842 -20.048 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.388 -5.527 -18.895 1.00 0.00 H new ATOM 0 HG21 ILE A 35 10.113 -5.723 -19.596 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.906 -7.358 -18.924 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.747 -6.107 -17.978 1.00 0.00 H new ATOM 0 HD11 ILE A 35 14.487 -5.150 -21.080 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.429 -6.889 -20.704 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.283 -6.193 -21.874 1.00 0.00 H new ATOM 225 N PHE A 36 13.329 -6.899 -16.762 1.00 0.00 N ATOM 226 CA PHE A 36 13.341 -6.580 -15.345 1.00 0.00 C ATOM 227 C PHE A 36 13.382 -5.067 -15.123 1.00 0.00 C ATOM 228 O PHE A 36 14.072 -4.348 -15.846 1.00 0.00 O ATOM 229 CB PHE A 36 14.608 -7.204 -14.757 1.00 0.00 C ATOM 230 CG PHE A 36 15.860 -6.995 -15.613 1.00 0.00 C ATOM 231 CD1 PHE A 36 16.633 -5.892 -15.428 1.00 0.00 C ATOM 232 CD2 PHE A 36 16.198 -7.912 -16.558 1.00 0.00 C ATOM 233 CE1 PHE A 36 17.794 -5.698 -16.222 1.00 0.00 C ATOM 234 CE2 PHE A 36 17.359 -7.718 -17.352 1.00 0.00 C ATOM 235 CZ PHE A 36 18.133 -6.615 -17.167 1.00 0.00 C ATOM 0 H PHE A 36 14.021 -6.397 -17.318 1.00 0.00 H new ATOM 0 HA PHE A 36 12.439 -6.965 -14.870 1.00 0.00 H new ATOM 0 HB2 PHE A 36 14.783 -6.782 -13.767 1.00 0.00 H new ATOM 0 HB3 PHE A 36 14.446 -8.274 -14.624 1.00 0.00 H new ATOM 0 HD1 PHE A 36 16.364 -5.164 -14.677 1.00 0.00 H new ATOM 0 HD2 PHE A 36 15.584 -8.788 -16.705 1.00 0.00 H new ATOM 0 HE1 PHE A 36 18.408 -4.822 -16.075 1.00 0.00 H new ATOM 0 HE2 PHE A 36 17.628 -8.446 -18.103 1.00 0.00 H new ATOM 0 HZ PHE A 36 19.016 -6.468 -17.770 1.00 0.00 H new ATOM 245 N PHE A 37 12.635 -4.627 -14.121 1.00 0.00 N ATOM 246 CA PHE A 37 12.578 -3.212 -13.796 1.00 0.00 C ATOM 247 C PHE A 37 12.146 -3.001 -12.343 1.00 0.00 C ATOM 248 O PHE A 37 11.568 -3.895 -11.727 1.00 0.00 O ATOM 249 CB PHE A 37 11.536 -2.582 -14.722 1.00 0.00 C ATOM 250 CG PHE A 37 12.091 -2.153 -16.082 1.00 0.00 C ATOM 251 CD1 PHE A 37 13.153 -1.307 -16.147 1.00 0.00 C ATOM 252 CD2 PHE A 37 11.522 -2.619 -17.226 1.00 0.00 C ATOM 253 CE1 PHE A 37 13.668 -0.909 -17.410 1.00 0.00 C ATOM 254 CE2 PHE A 37 12.036 -2.222 -18.488 1.00 0.00 C ATOM 255 CZ PHE A 37 13.099 -1.375 -18.554 1.00 0.00 C ATOM 0 H PHE A 37 12.064 -5.225 -13.524 1.00 0.00 H new ATOM 0 HA PHE A 37 13.562 -2.760 -13.924 1.00 0.00 H new ATOM 0 HB2 PHE A 37 10.727 -3.295 -14.880 1.00 0.00 H new ATOM 0 HB3 PHE A 37 11.103 -1.713 -14.227 1.00 0.00 H new ATOM 0 HD1 PHE A 37 13.605 -0.937 -15.239 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.679 -3.292 -17.174 1.00 0.00 H new ATOM 0 HE1 PHE A 37 14.511 -0.236 -17.462 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.583 -2.592 -19.396 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.491 -1.073 -19.514 1.00 0.00 H new ATOM 265 N LYS A 38 12.442 -1.812 -11.838 1.00 0.00 N ATOM 266 CA LYS A 38 12.091 -1.472 -10.470 1.00 0.00 C ATOM 267 C LYS A 38 10.867 -0.554 -10.475 1.00 0.00 C ATOM 268 O LYS A 38 10.664 0.211 -11.416 1.00 0.00 O ATOM 269 CB LYS A 38 13.299 -0.883 -9.738 1.00 0.00 C ATOM 270 CG LYS A 38 14.548 -1.735 -9.967 1.00 0.00 C ATOM 271 CD LYS A 38 15.386 -1.181 -11.121 1.00 0.00 C ATOM 272 CE LYS A 38 16.718 -1.925 -11.238 1.00 0.00 C ATOM 273 NZ LYS A 38 17.845 -1.027 -10.902 1.00 0.00 N ATOM 0 H LYS A 38 12.921 -1.072 -12.352 1.00 0.00 H new ATOM 0 HA LYS A 38 11.815 -2.368 -9.913 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.479 0.134 -10.086 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.087 -0.821 -8.671 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.147 -1.760 -9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.257 -2.762 -10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.831 -1.272 -12.055 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.571 -0.119 -10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.720 -2.786 -10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.840 -2.307 -12.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.741 -1.548 -10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.852 -0.218 -11.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.736 -0.682 -9.927 1.00 0.00 H new ATOM 286 N ILE A 39 10.083 -0.660 -9.412 1.00 0.00 N ATOM 287 CA ILE A 39 8.885 0.151 -9.282 1.00 0.00 C ATOM 288 C ILE A 39 8.569 0.353 -7.799 1.00 0.00 C ATOM 289 O ILE A 39 9.159 -0.302 -6.940 1.00 0.00 O ATOM 290 CB ILE A 39 7.732 -0.465 -10.077 1.00 0.00 C ATOM 291 CG1 ILE A 39 7.340 -1.829 -9.507 1.00 0.00 C ATOM 292 CG2 ILE A 39 8.074 -0.544 -11.567 1.00 0.00 C ATOM 293 CD1 ILE A 39 8.211 -2.941 -10.095 1.00 0.00 C ATOM 0 H ILE A 39 10.254 -1.296 -8.633 1.00 0.00 H new ATOM 0 HA ILE A 39 9.046 1.140 -9.712 1.00 0.00 H new ATOM 0 HB ILE A 39 6.864 0.187 -9.979 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.443 -1.817 -8.422 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.291 -2.030 -9.725 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.238 -0.986 -12.109 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.266 0.458 -11.950 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.962 -1.161 -11.704 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.911 -3.900 -9.673 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.087 -2.967 -11.178 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.257 -2.750 -9.854 1.00 0.00 H new ATOM 305 N LYS A 40 7.641 1.263 -7.543 1.00 0.00 N ATOM 306 CA LYS A 40 7.240 1.559 -6.178 1.00 0.00 C ATOM 307 C LYS A 40 5.916 0.855 -5.875 1.00 0.00 C ATOM 308 O LYS A 40 4.912 1.507 -5.592 1.00 0.00 O ATOM 309 CB LYS A 40 7.199 3.071 -5.948 1.00 0.00 C ATOM 310 CG LYS A 40 8.564 3.595 -5.498 1.00 0.00 C ATOM 311 CD LYS A 40 9.559 3.600 -6.660 1.00 0.00 C ATOM 312 CE LYS A 40 10.026 5.023 -6.975 1.00 0.00 C ATOM 313 NZ LYS A 40 11.239 4.994 -7.824 1.00 0.00 N ATOM 0 H LYS A 40 7.155 1.805 -8.257 1.00 0.00 H new ATOM 0 HA LYS A 40 7.975 1.172 -5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.897 3.574 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.448 3.307 -5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.457 4.605 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.947 2.974 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.419 2.978 -6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.094 3.162 -7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.231 5.569 -7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.236 5.557 -6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.543 5.967 -8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.000 4.491 -7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.027 4.503 -8.716 1.00 0.00 H new ATOM 326 N LYS A 41 5.956 -0.468 -5.946 1.00 0.00 N ATOM 327 CA LYS A 41 4.772 -1.267 -5.683 1.00 0.00 C ATOM 328 C LYS A 41 5.112 -2.748 -5.859 1.00 0.00 C ATOM 329 O LYS A 41 5.828 -3.118 -6.789 1.00 0.00 O ATOM 330 CB LYS A 41 3.604 -0.797 -6.552 1.00 0.00 C ATOM 331 CG LYS A 41 2.354 -0.548 -5.704 1.00 0.00 C ATOM 332 CD LYS A 41 1.125 -0.334 -6.589 1.00 0.00 C ATOM 333 CE LYS A 41 0.920 1.152 -6.893 1.00 0.00 C ATOM 334 NZ LYS A 41 0.049 1.324 -8.077 1.00 0.00 N ATOM 0 H LYS A 41 6.790 -1.006 -6.182 1.00 0.00 H new ATOM 0 HA LYS A 41 4.445 -1.135 -4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.881 0.118 -7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.388 -1.547 -7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.185 -1.396 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.508 0.326 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.243 -0.887 -7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.241 -0.733 -6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.473 1.647 -6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.884 1.629 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.080 2.338 -8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.490 0.869 -8.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.876 0.886 -7.894 1.00 0.00 H new ATOM 347 N THR A 42 4.583 -3.557 -4.952 1.00 0.00 N ATOM 348 CA THR A 42 4.823 -4.989 -4.996 1.00 0.00 C ATOM 349 C THR A 42 3.734 -5.687 -5.814 1.00 0.00 C ATOM 350 O THR A 42 4.032 -6.517 -6.671 1.00 0.00 O ATOM 351 CB THR A 42 4.920 -5.497 -3.556 1.00 0.00 C ATOM 352 OG1 THR A 42 4.645 -6.891 -3.660 1.00 0.00 O ATOM 353 CG2 THR A 42 3.794 -4.960 -2.669 1.00 0.00 C ATOM 0 H THR A 42 3.989 -3.247 -4.183 1.00 0.00 H new ATOM 0 HA THR A 42 5.762 -5.217 -5.500 1.00 0.00 H new ATOM 0 HB THR A 42 5.883 -5.210 -3.134 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.041 -7.242 -4.485 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.909 -5.351 -1.658 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.838 -3.871 -2.645 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.832 -5.275 -3.072 1.00 0.00 H new ATOM 361 N THR A 43 2.494 -5.324 -5.521 1.00 0.00 N ATOM 362 CA THR A 43 1.359 -5.904 -6.218 1.00 0.00 C ATOM 363 C THR A 43 1.740 -6.253 -7.658 1.00 0.00 C ATOM 364 O THR A 43 1.639 -5.413 -8.552 1.00 0.00 O ATOM 365 CB THR A 43 0.190 -4.922 -6.119 1.00 0.00 C ATOM 366 OG1 THR A 43 -0.548 -5.139 -7.318 1.00 0.00 O ATOM 367 CG2 THR A 43 0.641 -3.463 -6.219 1.00 0.00 C ATOM 0 H THR A 43 2.250 -4.635 -4.810 1.00 0.00 H new ATOM 0 HA THR A 43 1.051 -6.844 -5.759 1.00 0.00 H new ATOM 0 HB THR A 43 -0.335 -5.076 -5.176 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.495 -5.268 -7.101 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.227 -2.808 -6.143 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.336 -3.241 -5.409 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.136 -3.300 -7.176 1.00 0.00 H new ATOM 375 N PRO A 44 2.181 -7.526 -7.844 1.00 0.00 N ATOM 376 CA PRO A 44 2.578 -7.996 -9.161 1.00 0.00 C ATOM 377 C PRO A 44 1.354 -8.255 -10.042 1.00 0.00 C ATOM 378 O PRO A 44 1.320 -7.842 -11.200 1.00 0.00 O ATOM 379 CB PRO A 44 3.398 -9.249 -8.900 1.00 0.00 C ATOM 380 CG PRO A 44 3.043 -9.694 -7.491 1.00 0.00 C ATOM 381 CD PRO A 44 2.314 -8.547 -6.810 1.00 0.00 C ATOM 0 HA PRO A 44 3.164 -7.260 -9.712 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.163 -10.027 -9.626 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.465 -9.043 -8.987 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.414 -10.584 -7.519 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.943 -9.958 -6.936 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.339 -8.863 -6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.876 -8.173 -5.954 1.00 0.00 H new ATOM 389 N LEU A 45 0.379 -8.937 -9.460 1.00 0.00 N ATOM 390 CA LEU A 45 -0.844 -9.256 -10.177 1.00 0.00 C ATOM 391 C LEU A 45 -1.262 -8.051 -11.024 1.00 0.00 C ATOM 392 O LEU A 45 -1.800 -8.214 -12.117 1.00 0.00 O ATOM 393 CB LEU A 45 -1.926 -9.731 -9.207 1.00 0.00 C ATOM 394 CG LEU A 45 -2.419 -8.696 -8.193 1.00 0.00 C ATOM 395 CD1 LEU A 45 -3.610 -9.233 -7.396 1.00 0.00 C ATOM 396 CD2 LEU A 45 -1.280 -8.237 -7.280 1.00 0.00 C ATOM 0 H LEU A 45 0.411 -9.278 -8.499 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.678 -10.087 -10.863 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.781 -10.077 -9.788 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.543 -10.593 -8.660 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.766 -7.820 -8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.941 -8.478 -6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.427 -9.471 -8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.312 -10.134 -6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.657 -7.502 -6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.880 -9.094 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.490 -7.788 -7.882 1.00 0.00 H new ATOM 408 N ARG A 46 -0.998 -6.870 -10.485 1.00 0.00 N ATOM 409 CA ARG A 46 -1.340 -5.639 -11.177 1.00 0.00 C ATOM 410 C ARG A 46 -0.105 -5.057 -11.867 1.00 0.00 C ATOM 411 O ARG A 46 -0.224 -4.325 -12.849 1.00 0.00 O ATOM 412 CB ARG A 46 -1.910 -4.602 -10.207 1.00 0.00 C ATOM 413 CG ARG A 46 -3.438 -4.672 -10.165 1.00 0.00 C ATOM 414 CD ARG A 46 -3.971 -4.208 -8.808 1.00 0.00 C ATOM 415 NE ARG A 46 -4.978 -5.169 -8.305 1.00 0.00 N ATOM 416 CZ ARG A 46 -5.798 -4.927 -7.260 1.00 0.00 C ATOM 417 NH1 ARG A 46 -5.737 -3.752 -6.598 1.00 0.00 N ATOM 418 NH2 ARG A 46 -6.661 -5.858 -6.895 1.00 0.00 N ATOM 0 H ARG A 46 -0.551 -6.739 -9.577 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.098 -5.878 -11.923 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.507 -4.773 -9.209 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.596 -3.603 -10.511 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.856 -4.049 -10.956 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.764 -5.694 -10.358 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.150 -4.122 -8.096 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.416 -3.218 -8.902 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.057 -6.070 -8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.068 -3.038 -6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.360 -3.578 -5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.700 -6.743 -7.400 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.288 -5.692 -6.108 1.00 0.00 H new ATOM 431 N ARG A 47 1.054 -5.403 -11.327 1.00 0.00 N ATOM 432 CA ARG A 47 2.310 -4.925 -11.878 1.00 0.00 C ATOM 433 C ARG A 47 2.595 -5.604 -13.219 1.00 0.00 C ATOM 434 O ARG A 47 2.587 -4.952 -14.263 1.00 0.00 O ATOM 435 CB ARG A 47 3.472 -5.197 -10.920 1.00 0.00 C ATOM 436 CG ARG A 47 4.389 -3.978 -10.810 1.00 0.00 C ATOM 437 CD ARG A 47 3.876 -2.999 -9.752 1.00 0.00 C ATOM 438 NE ARG A 47 2.402 -2.887 -9.839 1.00 0.00 N ATOM 439 CZ ARG A 47 1.756 -1.976 -10.596 1.00 0.00 C ATOM 440 NH1 ARG A 47 2.449 -1.087 -11.340 1.00 0.00 N ATOM 441 NH2 ARG A 47 0.436 -1.966 -10.599 1.00 0.00 N ATOM 0 H ARG A 47 1.150 -6.010 -10.513 1.00 0.00 H new ATOM 0 HA ARG A 47 2.218 -3.849 -12.024 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.083 -5.454 -9.935 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.044 -6.056 -11.271 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.398 -4.300 -10.554 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.450 -3.476 -11.776 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.165 -3.340 -8.758 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.333 -2.020 -9.898 1.00 0.00 H new ATOM 0 HE ARG A 47 1.840 -3.539 -9.292 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.469 -1.101 -11.332 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.952 -0.402 -11.909 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.080 -2.641 -10.034 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.068 -1.284 -11.166 1.00 0.00 H new ATOM 454 N LEU A 48 2.839 -6.904 -13.148 1.00 0.00 N ATOM 455 CA LEU A 48 3.125 -7.678 -14.344 1.00 0.00 C ATOM 456 C LEU A 48 1.993 -7.484 -15.355 1.00 0.00 C ATOM 457 O LEU A 48 2.218 -7.542 -16.563 1.00 0.00 O ATOM 458 CB LEU A 48 3.384 -9.143 -13.985 1.00 0.00 C ATOM 459 CG LEU A 48 4.475 -9.848 -14.792 1.00 0.00 C ATOM 460 CD1 LEU A 48 5.638 -10.268 -13.891 1.00 0.00 C ATOM 461 CD2 LEU A 48 3.901 -11.031 -15.574 1.00 0.00 C ATOM 0 H LEU A 48 2.845 -7.441 -12.281 1.00 0.00 H new ATOM 0 HA LEU A 48 4.040 -7.323 -14.817 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.649 -9.196 -12.929 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.453 -9.697 -14.108 1.00 0.00 H new ATOM 0 HG LEU A 48 4.871 -9.141 -15.521 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.400 -10.767 -14.490 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.069 -9.386 -13.418 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.275 -10.951 -13.123 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.698 -11.515 -16.139 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.462 -11.748 -14.880 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.133 -10.675 -16.261 1.00 0.00 H new ATOM 473 N MET A 49 0.801 -7.257 -14.824 1.00 0.00 N ATOM 474 CA MET A 49 -0.367 -7.053 -15.665 1.00 0.00 C ATOM 475 C MET A 49 -0.068 -6.054 -16.785 1.00 0.00 C ATOM 476 O MET A 49 -0.493 -6.247 -17.923 1.00 0.00 O ATOM 477 CB MET A 49 -1.526 -6.534 -14.812 1.00 0.00 C ATOM 478 CG MET A 49 -2.873 -6.946 -15.410 1.00 0.00 C ATOM 479 SD MET A 49 -4.203 -6.153 -14.521 1.00 0.00 S ATOM 480 CE MET A 49 -3.988 -4.471 -15.077 1.00 0.00 C ATOM 0 H MET A 49 0.618 -7.210 -13.822 1.00 0.00 H new ATOM 0 HA MET A 49 -0.637 -8.007 -16.118 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.439 -6.924 -13.798 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.472 -5.448 -14.741 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.913 -6.669 -16.463 1.00 0.00 H new ATOM 0 HG3 MET A 49 -2.986 -8.029 -15.361 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.940 -3.944 -15.018 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.256 -3.969 -14.444 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.636 -4.471 -16.109 1.00 0.00 H new ATOM 490 N GLU A 50 0.660 -5.008 -16.422 1.00 0.00 N ATOM 491 CA GLU A 50 1.020 -3.978 -17.382 1.00 0.00 C ATOM 492 C GLU A 50 2.463 -4.171 -17.851 1.00 0.00 C ATOM 493 O GLU A 50 2.753 -4.056 -19.041 1.00 0.00 O ATOM 494 CB GLU A 50 0.818 -2.582 -16.789 1.00 0.00 C ATOM 495 CG GLU A 50 0.287 -1.610 -17.845 1.00 0.00 C ATOM 496 CD GLU A 50 1.385 -1.225 -18.838 1.00 0.00 C ATOM 497 OE1 GLU A 50 1.309 -1.593 -20.020 1.00 0.00 O ATOM 498 OE2 GLU A 50 2.343 -0.516 -18.344 1.00 0.00 O ATOM 0 H GLU A 50 1.010 -4.852 -15.477 1.00 0.00 H new ATOM 0 HA GLU A 50 0.363 -4.068 -18.247 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.119 -2.635 -15.954 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.763 -2.212 -16.391 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.547 -2.067 -18.378 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.099 -0.714 -17.358 1.00 0.00 H new ATOM 506 N ALA A 51 3.330 -4.463 -16.892 1.00 0.00 N ATOM 507 CA ALA A 51 4.736 -4.673 -17.193 1.00 0.00 C ATOM 508 C ALA A 51 4.861 -5.596 -18.406 1.00 0.00 C ATOM 509 O ALA A 51 5.287 -5.166 -19.477 1.00 0.00 O ATOM 510 CB ALA A 51 5.444 -5.234 -15.958 1.00 0.00 C ATOM 0 H ALA A 51 3.086 -4.559 -15.906 1.00 0.00 H new ATOM 0 HA ALA A 51 5.220 -3.729 -17.446 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.499 -5.392 -16.183 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.351 -4.528 -15.133 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.987 -6.183 -15.676 1.00 0.00 H new ATOM 516 N PHE A 52 4.482 -6.849 -18.199 1.00 0.00 N ATOM 517 CA PHE A 52 4.546 -7.836 -19.262 1.00 0.00 C ATOM 518 C PHE A 52 3.814 -7.345 -20.512 1.00 0.00 C ATOM 519 O PHE A 52 4.147 -7.742 -21.628 1.00 0.00 O ATOM 520 CB PHE A 52 3.854 -9.098 -18.743 1.00 0.00 C ATOM 521 CG PHE A 52 3.069 -9.862 -19.812 1.00 0.00 C ATOM 522 CD1 PHE A 52 3.720 -10.403 -20.877 1.00 0.00 C ATOM 523 CD2 PHE A 52 1.721 -9.999 -19.697 1.00 0.00 C ATOM 524 CE1 PHE A 52 2.991 -11.111 -21.869 1.00 0.00 C ATOM 525 CE2 PHE A 52 0.993 -10.708 -20.689 1.00 0.00 C ATOM 526 CZ PHE A 52 1.643 -11.249 -21.754 1.00 0.00 C ATOM 0 H PHE A 52 4.129 -7.203 -17.310 1.00 0.00 H new ATOM 0 HA PHE A 52 5.585 -8.024 -19.533 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.605 -9.762 -18.315 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.175 -8.822 -17.936 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.791 -10.294 -20.968 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.204 -9.569 -18.852 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.507 -11.540 -22.715 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.078 -10.818 -20.598 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.089 -11.788 -22.508 1.00 0.00 H new ATOM 536 N ALA A 53 2.829 -6.488 -20.284 1.00 0.00 N ATOM 537 CA ALA A 53 2.047 -5.938 -21.377 1.00 0.00 C ATOM 538 C ALA A 53 2.780 -4.732 -21.968 1.00 0.00 C ATOM 539 O ALA A 53 2.414 -4.238 -23.033 1.00 0.00 O ATOM 540 CB ALA A 53 0.647 -5.580 -20.874 1.00 0.00 C ATOM 0 H ALA A 53 2.555 -6.161 -19.357 1.00 0.00 H new ATOM 0 HA ALA A 53 1.930 -6.674 -22.172 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.060 -5.167 -21.695 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.157 -6.476 -20.492 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.725 -4.841 -20.076 1.00 0.00 H new ATOM 546 N LYS A 54 3.804 -4.292 -21.249 1.00 0.00 N ATOM 547 CA LYS A 54 4.592 -3.154 -21.689 1.00 0.00 C ATOM 548 C LYS A 54 5.775 -3.649 -22.523 1.00 0.00 C ATOM 549 O LYS A 54 6.261 -2.938 -23.401 1.00 0.00 O ATOM 550 CB LYS A 54 5.001 -2.292 -20.493 1.00 0.00 C ATOM 551 CG LYS A 54 5.218 -0.837 -20.914 1.00 0.00 C ATOM 552 CD LYS A 54 3.922 -0.219 -21.441 1.00 0.00 C ATOM 553 CE LYS A 54 3.984 1.309 -21.395 1.00 0.00 C ATOM 554 NZ LYS A 54 2.792 1.856 -20.710 1.00 0.00 N ATOM 0 H LYS A 54 4.105 -4.704 -20.366 1.00 0.00 H new ATOM 0 HA LYS A 54 3.998 -2.505 -22.333 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.230 -2.341 -19.724 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.916 -2.687 -20.052 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.581 -0.259 -20.064 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.988 -0.789 -21.684 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.748 -0.549 -22.465 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.079 -0.570 -20.846 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.887 1.627 -20.874 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.043 1.707 -22.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.980 2.836 -20.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.980 1.839 -21.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.577 1.278 -19.872 1.00 0.00 H new ATOM 567 N ARG A 55 6.205 -4.865 -22.218 1.00 0.00 N ATOM 568 CA ARG A 55 7.322 -5.464 -22.929 1.00 0.00 C ATOM 569 C ARG A 55 6.813 -6.443 -23.989 1.00 0.00 C ATOM 570 O ARG A 55 7.132 -6.307 -25.169 1.00 0.00 O ATOM 571 CB ARG A 55 8.254 -6.203 -21.967 1.00 0.00 C ATOM 572 CG ARG A 55 9.715 -5.825 -22.220 1.00 0.00 C ATOM 573 CD ARG A 55 10.233 -6.470 -23.507 1.00 0.00 C ATOM 574 NE ARG A 55 10.117 -5.516 -24.633 1.00 0.00 N ATOM 575 CZ ARG A 55 10.502 -5.788 -25.898 1.00 0.00 C ATOM 576 NH1 ARG A 55 11.031 -6.991 -26.210 1.00 0.00 N ATOM 577 NH2 ARG A 55 10.353 -4.861 -26.826 1.00 0.00 N ATOM 0 H ARG A 55 5.800 -5.451 -21.488 1.00 0.00 H new ATOM 0 HA ARG A 55 7.879 -4.660 -23.410 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.985 -5.963 -20.938 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.127 -7.279 -22.087 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.807 -4.741 -22.290 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.328 -6.144 -21.377 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.273 -6.771 -23.380 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.664 -7.374 -23.725 1.00 0.00 H new ATOM 0 HE ARG A 55 9.721 -4.596 -24.441 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.142 -7.702 -25.487 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.319 -7.188 -27.168 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.952 -3.955 -26.582 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.639 -5.050 -27.787 1.00 0.00 H new ATOM 590 N GLN A 56 6.030 -7.409 -23.529 1.00 0.00 N ATOM 591 CA GLN A 56 5.475 -8.410 -24.423 1.00 0.00 C ATOM 592 C GLN A 56 4.207 -7.878 -25.094 1.00 0.00 C ATOM 593 O GLN A 56 4.012 -8.061 -26.295 1.00 0.00 O ATOM 594 CB GLN A 56 5.192 -9.715 -23.676 1.00 0.00 C ATOM 595 CG GLN A 56 4.887 -10.852 -24.654 1.00 0.00 C ATOM 596 CD GLN A 56 5.911 -10.887 -25.791 1.00 0.00 C ATOM 597 OE1 GLN A 56 7.097 -11.087 -25.587 1.00 0.00 O ATOM 598 NE2 GLN A 56 5.388 -10.680 -26.996 1.00 0.00 N ATOM 0 H GLN A 56 5.768 -7.519 -22.549 1.00 0.00 H new ATOM 0 HA GLN A 56 6.211 -8.624 -25.198 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.052 -9.980 -23.061 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.348 -9.576 -23.000 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.894 -11.804 -24.124 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.886 -10.724 -25.065 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.386 -10.519 -27.096 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.989 -10.683 -27.820 1.00 0.00 H new ATOM 607 N GLY A 57 3.378 -7.228 -24.290 1.00 0.00 N ATOM 608 CA GLY A 57 2.135 -6.668 -24.792 1.00 0.00 C ATOM 609 C GLY A 57 2.383 -5.802 -26.028 1.00 0.00 C ATOM 610 O GLY A 57 1.462 -5.536 -26.799 1.00 0.00 O ATOM 0 H GLY A 57 3.543 -7.077 -23.295 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.444 -7.473 -25.041 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.661 -6.070 -24.014 1.00 0.00 H new ATOM 614 N LYS A 58 3.632 -5.385 -26.178 1.00 0.00 N ATOM 615 CA LYS A 58 4.013 -4.554 -27.308 1.00 0.00 C ATOM 616 C LYS A 58 3.615 -5.255 -28.608 1.00 0.00 C ATOM 617 O LYS A 58 3.041 -4.635 -29.502 1.00 0.00 O ATOM 618 CB LYS A 58 5.498 -4.196 -27.232 1.00 0.00 C ATOM 619 CG LYS A 58 5.738 -3.058 -26.238 1.00 0.00 C ATOM 620 CD LYS A 58 5.383 -1.705 -26.857 1.00 0.00 C ATOM 621 CE LYS A 58 4.376 -0.950 -25.986 1.00 0.00 C ATOM 622 NZ LYS A 58 3.013 -1.070 -26.549 1.00 0.00 N ATOM 0 H LYS A 58 4.393 -5.607 -25.536 1.00 0.00 H new ATOM 0 HA LYS A 58 3.478 -3.605 -27.281 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.072 -5.073 -26.932 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.856 -3.903 -28.219 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.139 -3.220 -25.342 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.783 -3.057 -25.927 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.287 -1.107 -26.976 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.967 -1.855 -27.853 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.393 -1.348 -24.971 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.658 0.101 -25.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.432 -0.270 -26.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.065 -1.063 -27.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.583 -1.961 -26.229 1.00 0.00 H new ATOM 635 N GLU A 59 3.936 -6.539 -28.673 1.00 0.00 N ATOM 636 CA GLU A 59 3.619 -7.331 -29.849 1.00 0.00 C ATOM 637 C GLU A 59 2.241 -7.979 -29.698 1.00 0.00 C ATOM 638 O GLU A 59 1.721 -8.569 -30.643 1.00 0.00 O ATOM 639 CB GLU A 59 4.696 -8.387 -30.106 1.00 0.00 C ATOM 640 CG GLU A 59 5.942 -7.757 -30.733 1.00 0.00 C ATOM 641 CD GLU A 59 6.185 -8.308 -32.140 1.00 0.00 C ATOM 642 OE1 GLU A 59 6.640 -9.452 -32.288 1.00 0.00 O ATOM 643 OE2 GLU A 59 5.883 -7.501 -33.101 1.00 0.00 O ATOM 0 H GLU A 59 4.412 -7.050 -27.930 1.00 0.00 H new ATOM 0 HA GLU A 59 3.594 -6.667 -30.713 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.963 -8.875 -29.169 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.303 -9.160 -30.767 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.823 -6.674 -30.778 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.810 -7.957 -30.105 1.00 0.00 H new ATOM 651 N MET A 60 1.689 -7.847 -28.500 1.00 0.00 N ATOM 652 CA MET A 60 0.382 -8.413 -28.212 1.00 0.00 C ATOM 653 C MET A 60 0.224 -9.788 -28.864 1.00 0.00 C ATOM 654 O MET A 60 -0.886 -10.193 -29.206 1.00 0.00 O ATOM 655 CB MET A 60 -0.707 -7.473 -28.733 1.00 0.00 C ATOM 656 CG MET A 60 -1.626 -7.017 -27.598 1.00 0.00 C ATOM 657 SD MET A 60 -2.751 -5.764 -28.190 1.00 0.00 S ATOM 658 CE MET A 60 -1.631 -4.380 -28.323 1.00 0.00 C ATOM 0 H MET A 60 2.123 -7.356 -27.718 1.00 0.00 H new ATOM 0 HA MET A 60 0.288 -8.531 -27.132 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.248 -6.605 -29.205 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.294 -7.979 -29.500 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.187 -7.867 -27.209 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.032 -6.624 -26.773 1.00 0.00 H new ATOM 0 HE1 MET A 60 -2.196 -3.449 -28.277 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.915 -4.411 -27.501 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.097 -4.434 -29.272 1.00 0.00 H new ATOM 668 N ASP A 61 1.351 -10.468 -29.017 1.00 0.00 N ATOM 669 CA ASP A 61 1.352 -11.789 -29.622 1.00 0.00 C ATOM 670 C ASP A 61 1.348 -12.850 -28.519 1.00 0.00 C ATOM 671 O ASP A 61 1.163 -14.035 -28.793 1.00 0.00 O ATOM 672 CB ASP A 61 2.601 -12.002 -30.478 1.00 0.00 C ATOM 673 CG ASP A 61 2.466 -11.566 -31.938 1.00 0.00 C ATOM 674 OD1 ASP A 61 1.732 -12.183 -32.724 1.00 0.00 O ATOM 675 OD2 ASP A 61 3.164 -10.531 -32.265 1.00 0.00 O ATOM 0 H ASP A 61 2.270 -10.129 -28.732 1.00 0.00 H new ATOM 0 HA ASP A 61 0.466 -11.872 -30.251 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.430 -11.456 -30.027 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.864 -13.059 -30.453 1.00 0.00 H new ATOM 681 N SER A 62 1.554 -12.386 -27.295 1.00 0.00 N ATOM 682 CA SER A 62 1.577 -13.280 -26.150 1.00 0.00 C ATOM 683 C SER A 62 0.432 -12.937 -25.195 1.00 0.00 C ATOM 684 O SER A 62 0.345 -11.813 -24.703 1.00 0.00 O ATOM 685 CB SER A 62 2.919 -13.205 -25.419 1.00 0.00 C ATOM 686 OG SER A 62 3.947 -12.664 -26.244 1.00 0.00 O ATOM 0 H SER A 62 1.706 -11.403 -27.071 1.00 0.00 H new ATOM 0 HA SER A 62 1.447 -14.300 -26.510 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.811 -12.591 -24.525 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.208 -14.203 -25.088 1.00 0.00 H new ATOM 0 HG SER A 62 4.754 -13.214 -26.165 1.00 0.00 H new ATOM 692 N LEU A 63 -0.419 -13.926 -24.962 1.00 0.00 N ATOM 693 CA LEU A 63 -1.555 -13.742 -24.075 1.00 0.00 C ATOM 694 C LEU A 63 -1.601 -14.893 -23.068 1.00 0.00 C ATOM 695 O LEU A 63 -2.678 -15.316 -22.651 1.00 0.00 O ATOM 696 CB LEU A 63 -2.844 -13.580 -24.882 1.00 0.00 C ATOM 697 CG LEU A 63 -2.795 -14.070 -26.331 1.00 0.00 C ATOM 698 CD1 LEU A 63 -4.186 -14.480 -26.818 1.00 0.00 C ATOM 699 CD2 LEU A 63 -2.154 -13.022 -27.243 1.00 0.00 C ATOM 0 H LEU A 63 -0.344 -14.857 -25.372 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.446 -12.821 -23.503 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.642 -14.114 -24.366 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.117 -12.525 -24.885 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.165 -14.959 -26.370 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.123 -14.824 -27.850 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.569 -15.284 -26.190 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.858 -13.624 -26.761 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.132 -13.395 -28.267 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.737 -12.102 -27.205 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.136 -12.821 -26.908 1.00 0.00 H new ATOM 711 N ARG A 64 -0.418 -15.368 -22.705 1.00 0.00 N ATOM 712 CA ARG A 64 -0.310 -16.462 -21.755 1.00 0.00 C ATOM 713 C ARG A 64 0.284 -15.962 -20.437 1.00 0.00 C ATOM 714 O ARG A 64 1.496 -15.778 -20.328 1.00 0.00 O ATOM 715 CB ARG A 64 0.567 -17.587 -22.308 1.00 0.00 C ATOM 716 CG ARG A 64 -0.245 -18.870 -22.502 1.00 0.00 C ATOM 717 CD ARG A 64 0.364 -20.029 -21.710 1.00 0.00 C ATOM 718 NE ARG A 64 -0.642 -21.099 -21.525 1.00 0.00 N ATOM 719 CZ ARG A 64 -0.336 -22.395 -21.303 1.00 0.00 C ATOM 720 NH1 ARG A 64 0.952 -22.793 -21.236 1.00 0.00 N ATOM 721 NH2 ARG A 64 -1.316 -23.266 -21.151 1.00 0.00 N ATOM 0 H ARG A 64 0.474 -15.015 -23.052 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.313 -16.851 -21.581 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.002 -17.280 -23.259 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.395 -17.776 -21.625 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.273 -18.706 -22.181 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.279 -19.127 -23.561 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.233 -20.423 -22.236 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.712 -19.674 -20.740 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.628 -20.841 -21.568 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.703 -22.113 -21.353 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.175 -23.774 -21.068 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.286 -22.956 -21.202 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.103 -24.249 -20.983 1.00 0.00 H new ATOM 734 N PHE A 65 -0.596 -15.758 -19.467 1.00 0.00 N ATOM 735 CA PHE A 65 -0.173 -15.284 -18.161 1.00 0.00 C ATOM 736 C PHE A 65 -0.191 -16.417 -17.133 1.00 0.00 C ATOM 737 O PHE A 65 -1.251 -16.956 -16.818 1.00 0.00 O ATOM 738 CB PHE A 65 -1.171 -14.206 -17.732 1.00 0.00 C ATOM 739 CG PHE A 65 -1.933 -14.540 -16.447 1.00 0.00 C ATOM 740 CD1 PHE A 65 -3.073 -15.278 -16.505 1.00 0.00 C ATOM 741 CD2 PHE A 65 -1.469 -14.098 -15.247 1.00 0.00 C ATOM 742 CE1 PHE A 65 -3.780 -15.587 -15.313 1.00 0.00 C ATOM 743 CE2 PHE A 65 -2.175 -14.407 -14.055 1.00 0.00 C ATOM 744 CZ PHE A 65 -3.316 -15.145 -14.113 1.00 0.00 C ATOM 0 H PHE A 65 -1.600 -15.913 -19.560 1.00 0.00 H new ATOM 0 HA PHE A 65 0.845 -14.898 -18.217 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.637 -13.266 -17.592 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.888 -14.048 -18.537 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.441 -15.629 -17.458 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.563 -13.512 -15.201 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.686 -16.173 -15.359 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.806 -14.056 -13.102 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.854 -15.380 -13.206 1.00 0.00 H new ATOM 754 N LEU A 66 0.994 -16.746 -16.641 1.00 0.00 N ATOM 755 CA LEU A 66 1.127 -17.806 -15.656 1.00 0.00 C ATOM 756 C LEU A 66 2.470 -17.662 -14.937 1.00 0.00 C ATOM 757 O LEU A 66 3.236 -16.744 -15.223 1.00 0.00 O ATOM 758 CB LEU A 66 0.922 -19.174 -16.309 1.00 0.00 C ATOM 759 CG LEU A 66 2.105 -19.717 -17.113 1.00 0.00 C ATOM 760 CD1 LEU A 66 3.119 -20.407 -16.197 1.00 0.00 C ATOM 761 CD2 LEU A 66 1.628 -20.639 -18.236 1.00 0.00 C ATOM 0 H LEU A 66 1.871 -16.297 -16.906 1.00 0.00 H new ATOM 0 HA LEU A 66 0.348 -17.722 -14.898 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.678 -19.894 -15.528 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.057 -19.114 -16.969 1.00 0.00 H new ATOM 0 HG LEU A 66 2.614 -18.875 -17.582 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.950 -20.784 -16.793 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.493 -19.692 -15.464 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.637 -21.237 -15.681 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.489 -21.011 -18.792 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.081 -21.480 -17.809 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.974 -20.085 -18.909 1.00 0.00 H new ATOM 773 N TYR A 67 2.715 -18.585 -14.019 1.00 0.00 N ATOM 774 CA TYR A 67 3.953 -18.573 -13.257 1.00 0.00 C ATOM 775 C TYR A 67 4.777 -19.833 -13.531 1.00 0.00 C ATOM 776 O TYR A 67 6.001 -19.767 -13.639 1.00 0.00 O ATOM 777 CB TYR A 67 3.541 -18.558 -11.784 1.00 0.00 C ATOM 778 CG TYR A 67 4.710 -18.721 -10.810 1.00 0.00 C ATOM 779 CD1 TYR A 67 5.354 -19.936 -10.701 1.00 0.00 C ATOM 780 CD2 TYR A 67 5.120 -17.651 -10.040 1.00 0.00 C ATOM 781 CE1 TYR A 67 6.454 -20.089 -9.784 1.00 0.00 C ATOM 782 CE2 TYR A 67 6.220 -17.804 -9.123 1.00 0.00 C ATOM 783 CZ TYR A 67 6.832 -19.016 -9.040 1.00 0.00 C ATOM 784 OH TYR A 67 7.871 -19.160 -8.174 1.00 0.00 O ATOM 0 H TYR A 67 2.078 -19.346 -13.785 1.00 0.00 H new ATOM 0 HA TYR A 67 4.563 -17.712 -13.529 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.031 -17.619 -11.569 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.822 -19.359 -11.610 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.033 -20.773 -11.304 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.616 -16.700 -10.125 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.967 -21.035 -9.690 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.551 -16.975 -8.515 1.00 0.00 H new ATOM 0 HH TYR A 67 8.031 -18.311 -7.711 1.00 0.00 H new ATOM 794 N ASP A 68 4.074 -20.951 -13.636 1.00 0.00 N ATOM 795 CA ASP A 68 4.725 -22.223 -13.896 1.00 0.00 C ATOM 796 C ASP A 68 4.105 -22.865 -15.139 1.00 0.00 C ATOM 797 O ASP A 68 4.756 -22.974 -16.176 1.00 0.00 O ATOM 798 CB ASP A 68 4.538 -23.187 -12.723 1.00 0.00 C ATOM 799 CG ASP A 68 5.810 -23.902 -12.264 1.00 0.00 C ATOM 800 OD1 ASP A 68 6.930 -23.500 -12.612 1.00 0.00 O ATOM 801 OD2 ASP A 68 5.616 -24.928 -11.506 1.00 0.00 O ATOM 0 H ASP A 68 3.059 -21.002 -13.546 1.00 0.00 H new ATOM 0 HA ASP A 68 5.788 -22.033 -14.042 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.126 -22.633 -11.879 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.799 -23.937 -13.003 1.00 0.00 H new ATOM 807 N GLY A 69 2.852 -23.272 -14.993 1.00 0.00 N ATOM 808 CA GLY A 69 2.137 -23.900 -16.090 1.00 0.00 C ATOM 809 C GLY A 69 0.676 -24.160 -15.715 1.00 0.00 C ATOM 810 O GLY A 69 0.100 -25.172 -16.112 1.00 0.00 O ATOM 0 H GLY A 69 2.314 -23.179 -14.131 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.182 -23.260 -16.971 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.621 -24.840 -16.354 1.00 0.00 H new ATOM 814 N ILE A 70 0.119 -23.228 -14.956 1.00 0.00 N ATOM 815 CA ILE A 70 -1.263 -23.343 -14.523 1.00 0.00 C ATOM 816 C ILE A 70 -1.812 -21.951 -14.208 1.00 0.00 C ATOM 817 O ILE A 70 -2.421 -21.742 -13.160 1.00 0.00 O ATOM 818 CB ILE A 70 -1.379 -24.328 -13.357 1.00 0.00 C ATOM 819 CG1 ILE A 70 -0.066 -24.411 -12.577 1.00 0.00 C ATOM 820 CG2 ILE A 70 -1.844 -25.702 -13.844 1.00 0.00 C ATOM 821 CD1 ILE A 70 -0.306 -24.218 -11.078 1.00 0.00 C ATOM 0 H ILE A 70 0.600 -22.390 -14.630 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.879 -23.756 -15.322 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.139 -23.956 -12.670 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.405 -25.378 -12.752 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.625 -23.650 -12.939 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.918 -26.383 -12.996 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.820 -25.608 -14.320 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.126 -26.095 -14.563 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.643 -24.282 -10.546 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.754 -23.240 -10.904 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.978 -24.995 -10.714 1.00 0.00 H new ATOM 833 N ARG A 71 -1.578 -21.034 -15.135 1.00 0.00 N ATOM 834 CA ARG A 71 -2.041 -19.666 -14.970 1.00 0.00 C ATOM 835 C ARG A 71 -1.898 -19.230 -13.510 1.00 0.00 C ATOM 836 O ARG A 71 -2.839 -18.701 -12.921 1.00 0.00 O ATOM 837 CB ARG A 71 -3.504 -19.526 -15.395 1.00 0.00 C ATOM 838 CG ARG A 71 -4.415 -20.391 -14.522 1.00 0.00 C ATOM 839 CD ARG A 71 -4.505 -21.817 -15.068 1.00 0.00 C ATOM 840 NE ARG A 71 -4.530 -22.786 -13.949 1.00 0.00 N ATOM 841 CZ ARG A 71 -4.539 -24.127 -14.110 1.00 0.00 C ATOM 842 NH1 ARG A 71 -4.524 -24.669 -15.346 1.00 0.00 N ATOM 843 NH2 ARG A 71 -4.561 -24.899 -13.039 1.00 0.00 N ATOM 0 H ARG A 71 -1.074 -21.211 -16.004 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.426 -19.028 -15.605 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.809 -18.482 -15.322 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.612 -19.817 -16.440 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.033 -20.412 -13.501 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.411 -19.950 -14.481 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.403 -21.927 -15.675 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.654 -22.021 -15.718 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.541 -22.418 -12.998 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.506 -24.065 -16.168 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.531 -25.683 -15.458 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.571 -24.481 -12.109 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.568 -25.914 -13.142 1.00 0.00 H new ATOM 856 N ILE A 72 -0.712 -19.468 -12.969 1.00 0.00 N ATOM 857 CA ILE A 72 -0.433 -19.106 -11.589 1.00 0.00 C ATOM 858 C ILE A 72 0.460 -17.865 -11.563 1.00 0.00 C ATOM 859 O ILE A 72 1.015 -17.473 -12.588 1.00 0.00 O ATOM 860 CB ILE A 72 0.149 -20.300 -10.830 1.00 0.00 C ATOM 861 CG1 ILE A 72 0.973 -21.193 -11.760 1.00 0.00 C ATOM 862 CG2 ILE A 72 -0.951 -21.082 -10.110 1.00 0.00 C ATOM 863 CD1 ILE A 72 1.950 -22.060 -10.964 1.00 0.00 C ATOM 0 H ILE A 72 0.066 -19.907 -13.461 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.355 -18.846 -11.069 1.00 0.00 H new ATOM 0 HB ILE A 72 0.827 -19.920 -10.065 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.307 -21.830 -12.342 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.524 -20.575 -12.469 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.510 -21.925 -9.579 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.456 -20.429 -9.398 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.673 -21.450 -10.839 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.523 -22.685 -11.649 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.630 -21.420 -10.402 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.394 -22.694 -10.273 1.00 0.00 H new ATOM 875 N GLN A 73 0.572 -17.280 -10.379 1.00 0.00 N ATOM 876 CA GLN A 73 1.389 -16.091 -10.206 1.00 0.00 C ATOM 877 C GLN A 73 2.296 -16.244 -8.983 1.00 0.00 C ATOM 878 O GLN A 73 2.278 -17.278 -8.318 1.00 0.00 O ATOM 879 CB GLN A 73 0.517 -14.839 -10.088 1.00 0.00 C ATOM 880 CG GLN A 73 -0.411 -14.702 -11.297 1.00 0.00 C ATOM 881 CD GLN A 73 -1.870 -14.930 -10.897 1.00 0.00 C ATOM 882 OE1 GLN A 73 -2.687 -14.024 -10.888 1.00 0.00 O ATOM 883 NE2 GLN A 73 -2.151 -16.188 -10.569 1.00 0.00 N ATOM 0 H GLN A 73 0.110 -17.608 -9.530 1.00 0.00 H new ATOM 0 HA GLN A 73 2.018 -15.974 -11.089 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.075 -14.889 -9.174 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.151 -13.956 -10.010 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.301 -13.709 -11.734 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.124 -15.421 -12.064 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.419 -16.898 -10.598 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.098 -16.443 -10.289 1.00 0.00 H new ATOM 892 N ALA A 74 3.067 -15.198 -8.724 1.00 0.00 N ATOM 893 CA ALA A 74 3.979 -15.203 -7.593 1.00 0.00 C ATOM 894 C ALA A 74 3.305 -14.530 -6.396 1.00 0.00 C ATOM 895 O ALA A 74 2.501 -15.151 -5.702 1.00 0.00 O ATOM 896 CB ALA A 74 5.287 -14.514 -7.989 1.00 0.00 C ATOM 0 H ALA A 74 3.079 -14.342 -9.278 1.00 0.00 H new ATOM 0 HA ALA A 74 4.223 -16.225 -7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.971 -14.518 -7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.741 -15.048 -8.824 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.081 -13.485 -8.285 1.00 0.00 H new ATOM 902 N ASP A 75 3.656 -13.269 -6.192 1.00 0.00 N ATOM 903 CA ASP A 75 3.095 -12.505 -5.091 1.00 0.00 C ATOM 904 C ASP A 75 1.777 -11.869 -5.537 1.00 0.00 C ATOM 905 O ASP A 75 1.530 -10.693 -5.274 1.00 0.00 O ATOM 906 CB ASP A 75 4.040 -11.381 -4.661 1.00 0.00 C ATOM 907 CG ASP A 75 5.490 -11.544 -5.123 1.00 0.00 C ATOM 908 OD1 ASP A 75 6.195 -10.555 -5.375 1.00 0.00 O ATOM 909 OD2 ASP A 75 5.896 -12.764 -5.223 1.00 0.00 O ATOM 0 H ASP A 75 4.322 -12.757 -6.771 1.00 0.00 H new ATOM 0 HA ASP A 75 2.940 -13.185 -4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.656 -10.436 -5.046 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.027 -11.311 -3.573 1.00 0.00 H new ATOM 915 N GLN A 76 0.963 -12.675 -6.203 1.00 0.00 N ATOM 916 CA GLN A 76 -0.323 -12.206 -6.688 1.00 0.00 C ATOM 917 C GLN A 76 -1.292 -12.012 -5.520 1.00 0.00 C ATOM 918 O GLN A 76 -2.423 -11.568 -5.714 1.00 0.00 O ATOM 919 CB GLN A 76 -0.902 -13.170 -7.726 1.00 0.00 C ATOM 920 CG GLN A 76 -2.417 -12.994 -7.853 1.00 0.00 C ATOM 921 CD GLN A 76 -3.153 -13.775 -6.763 1.00 0.00 C ATOM 922 OE1 GLN A 76 -2.576 -14.562 -6.031 1.00 0.00 O ATOM 923 NE2 GLN A 76 -4.456 -13.515 -6.697 1.00 0.00 N ATOM 0 H GLN A 76 1.170 -13.650 -6.418 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.176 -11.243 -7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.430 -12.996 -8.693 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.674 -14.197 -7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.671 -11.936 -7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.745 -13.335 -8.835 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.875 -12.844 -7.341 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.036 -13.986 -6.003 1.00 0.00 H new ATOM 932 N THR A 77 -0.814 -12.354 -4.333 1.00 0.00 N ATOM 933 CA THR A 77 -1.623 -12.223 -3.133 1.00 0.00 C ATOM 934 C THR A 77 -1.451 -10.831 -2.523 1.00 0.00 C ATOM 935 O THR A 77 -0.358 -10.268 -2.551 1.00 0.00 O ATOM 936 CB THR A 77 -1.241 -13.356 -2.179 1.00 0.00 C ATOM 937 OG1 THR A 77 -0.752 -14.383 -3.037 1.00 0.00 O ATOM 938 CG2 THR A 77 -2.459 -13.986 -1.500 1.00 0.00 C ATOM 0 H THR A 77 0.124 -12.722 -4.176 1.00 0.00 H new ATOM 0 HA THR A 77 -2.685 -12.315 -3.360 1.00 0.00 H new ATOM 0 HB THR A 77 -0.559 -12.975 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.480 -15.156 -2.500 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.132 -14.784 -0.834 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.988 -13.227 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.126 -14.396 -2.258 1.00 0.00 H new ATOM 946 N PRO A 78 -2.577 -10.302 -1.973 1.00 0.00 N ATOM 947 CA PRO A 78 -2.561 -8.986 -1.357 1.00 0.00 C ATOM 948 C PRO A 78 -1.871 -9.027 0.008 1.00 0.00 C ATOM 949 O PRO A 78 -1.486 -7.990 0.545 1.00 0.00 O ATOM 950 CB PRO A 78 -4.021 -8.574 -1.272 1.00 0.00 C ATOM 951 CG PRO A 78 -4.825 -9.856 -1.413 1.00 0.00 C ATOM 952 CD PRO A 78 -3.889 -10.939 -1.922 1.00 0.00 C ATOM 0 HA PRO A 78 -1.988 -8.259 -1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.233 -8.082 -0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.274 -7.866 -2.061 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.256 -10.144 -0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.655 -9.712 -2.105 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.884 -11.803 -1.257 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.194 -11.296 -2.906 1.00 0.00 H new ATOM 960 N GLU A 79 -1.736 -10.237 0.530 1.00 0.00 N ATOM 961 CA GLU A 79 -1.099 -10.428 1.822 1.00 0.00 C ATOM 962 C GLU A 79 0.379 -10.777 1.639 1.00 0.00 C ATOM 963 O GLU A 79 1.199 -10.504 2.515 1.00 0.00 O ATOM 964 CB GLU A 79 -1.820 -11.505 2.635 1.00 0.00 C ATOM 965 CG GLU A 79 -3.223 -11.043 3.034 1.00 0.00 C ATOM 966 CD GLU A 79 -3.863 -12.022 4.021 1.00 0.00 C ATOM 967 OE1 GLU A 79 -3.147 -12.768 4.705 1.00 0.00 O ATOM 968 OE2 GLU A 79 -5.152 -11.990 4.063 1.00 0.00 O ATOM 0 H GLU A 79 -2.057 -11.095 0.082 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.165 -9.493 2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.888 -12.423 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.242 -11.739 3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.169 -10.051 3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.848 -10.957 2.145 1.00 0.00 H new ATOM 976 N ASP A 80 0.676 -11.376 0.495 1.00 0.00 N ATOM 977 CA ASP A 80 2.041 -11.765 0.186 1.00 0.00 C ATOM 978 C ASP A 80 2.839 -10.527 -0.227 1.00 0.00 C ATOM 979 O ASP A 80 3.938 -10.297 0.274 1.00 0.00 O ATOM 980 CB ASP A 80 2.080 -12.762 -0.974 1.00 0.00 C ATOM 981 CG ASP A 80 3.419 -13.477 -1.167 1.00 0.00 C ATOM 982 OD1 ASP A 80 4.311 -12.984 -1.874 1.00 0.00 O ATOM 983 OD2 ASP A 80 3.530 -14.603 -0.548 1.00 0.00 O ATOM 0 H ASP A 80 -0.006 -11.601 -0.229 1.00 0.00 H new ATOM 0 HA ASP A 80 2.469 -12.229 1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.305 -13.511 -0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.831 -12.235 -1.895 1.00 0.00 H new ATOM 989 N LEU A 81 2.254 -9.762 -1.137 1.00 0.00 N ATOM 990 CA LEU A 81 2.897 -8.553 -1.623 1.00 0.00 C ATOM 991 C LEU A 81 3.271 -7.666 -0.434 1.00 0.00 C ATOM 992 O LEU A 81 4.367 -7.109 -0.391 1.00 0.00 O ATOM 993 CB LEU A 81 2.011 -7.854 -2.657 1.00 0.00 C ATOM 994 CG LEU A 81 0.717 -7.236 -2.124 1.00 0.00 C ATOM 995 CD1 LEU A 81 0.966 -5.829 -1.578 1.00 0.00 C ATOM 996 CD2 LEU A 81 -0.379 -7.251 -3.192 1.00 0.00 C ATOM 0 H LEU A 81 1.342 -9.956 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 81 3.823 -8.797 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.596 -7.068 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.753 -8.576 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 81 0.364 -7.846 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.030 -5.412 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.691 -5.877 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.355 -5.193 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.288 -6.806 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.050 -6.678 -4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.581 -8.279 -3.492 1.00 0.00 H new ATOM 1008 N ASP A 82 2.339 -7.562 0.502 1.00 0.00 N ATOM 1009 CA ASP A 82 2.557 -6.752 1.689 1.00 0.00 C ATOM 1010 C ASP A 82 3.644 -7.400 2.550 1.00 0.00 C ATOM 1011 O ASP A 82 4.287 -6.726 3.354 1.00 0.00 O ATOM 1012 CB ASP A 82 1.283 -6.654 2.530 1.00 0.00 C ATOM 1013 CG ASP A 82 0.925 -5.242 2.998 1.00 0.00 C ATOM 1014 OD1 ASP A 82 -0.023 -4.623 2.492 1.00 0.00 O ATOM 1015 OD2 ASP A 82 1.676 -4.771 3.935 1.00 0.00 O ATOM 0 H ASP A 82 1.431 -8.025 0.463 1.00 0.00 H new ATOM 0 HA ASP A 82 2.854 -5.754 1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.450 -7.050 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 82 1.393 -7.294 3.406 1.00 0.00 H new ATOM 1021 N MET A 83 3.815 -8.698 2.352 1.00 0.00 N ATOM 1022 CA MET A 83 4.813 -9.444 3.101 1.00 0.00 C ATOM 1023 C MET A 83 6.116 -9.564 2.309 1.00 0.00 C ATOM 1024 O MET A 83 7.046 -8.785 2.514 1.00 0.00 O ATOM 1025 CB MET A 83 4.276 -10.842 3.415 1.00 0.00 C ATOM 1026 CG MET A 83 3.919 -10.971 4.897 1.00 0.00 C ATOM 1027 SD MET A 83 2.149 -10.876 5.109 1.00 0.00 S ATOM 1028 CE MET A 83 1.655 -12.371 4.269 1.00 0.00 C ATOM 0 H MET A 83 3.280 -9.253 1.684 1.00 0.00 H new ATOM 0 HA MET A 83 5.021 -8.908 4.027 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.394 -11.042 2.806 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.023 -11.590 3.151 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.290 -11.918 5.288 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.405 -10.179 5.467 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.573 -12.373 4.135 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.142 -12.419 3.295 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.948 -13.236 4.864 1.00 0.00 H new ATOM 1038 N GLU A 84 6.143 -10.546 1.419 1.00 0.00 N ATOM 1039 CA GLU A 84 7.317 -10.778 0.595 1.00 0.00 C ATOM 1040 C GLU A 84 7.619 -9.544 -0.257 1.00 0.00 C ATOM 1041 O GLU A 84 6.756 -8.688 -0.445 1.00 0.00 O ATOM 1042 CB GLU A 84 7.136 -12.019 -0.281 1.00 0.00 C ATOM 1043 CG GLU A 84 8.489 -12.592 -0.706 1.00 0.00 C ATOM 1044 CD GLU A 84 8.565 -14.092 -0.413 1.00 0.00 C ATOM 1045 OE1 GLU A 84 7.554 -14.799 -0.533 1.00 0.00 O ATOM 1046 OE2 GLU A 84 9.727 -14.519 -0.050 1.00 0.00 O ATOM 0 H GLU A 84 5.370 -11.190 1.251 1.00 0.00 H new ATOM 0 HA GLU A 84 8.168 -10.959 1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.572 -12.775 0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.552 -11.763 -1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.644 -12.417 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.290 -12.074 -0.178 1.00 0.00 H new ATOM 1054 N ASP A 85 8.847 -9.492 -0.752 1.00 0.00 N ATOM 1055 CA ASP A 85 9.274 -8.377 -1.580 1.00 0.00 C ATOM 1056 C ASP A 85 10.066 -8.909 -2.776 1.00 0.00 C ATOM 1057 O ASP A 85 11.296 -8.934 -2.749 1.00 0.00 O ATOM 1058 CB ASP A 85 10.181 -7.425 -0.798 1.00 0.00 C ATOM 1059 CG ASP A 85 10.742 -7.992 0.507 1.00 0.00 C ATOM 1060 OD1 ASP A 85 11.964 -8.048 0.707 1.00 0.00 O ATOM 1061 OD2 ASP A 85 9.854 -8.394 1.353 1.00 0.00 O ATOM 0 H ASP A 85 9.560 -10.204 -0.595 1.00 0.00 H new ATOM 0 HA ASP A 85 8.384 -7.840 -1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 85 11.014 -7.134 -1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.621 -6.518 -0.571 1.00 0.00 H new ATOM 1067 N ASN A 86 9.329 -9.323 -3.796 1.00 0.00 N ATOM 1068 CA ASN A 86 9.948 -9.853 -4.999 1.00 0.00 C ATOM 1069 C ASN A 86 8.861 -10.176 -6.027 1.00 0.00 C ATOM 1070 O ASN A 86 8.342 -11.291 -6.059 1.00 0.00 O ATOM 1071 CB ASN A 86 10.714 -11.144 -4.701 1.00 0.00 C ATOM 1072 CG ASN A 86 12.153 -11.057 -5.213 1.00 0.00 C ATOM 1073 OD1 ASN A 86 12.773 -10.007 -5.224 1.00 0.00 O ATOM 1074 ND2 ASN A 86 12.648 -12.217 -5.635 1.00 0.00 N ATOM 0 H ASN A 86 8.309 -9.302 -3.814 1.00 0.00 H new ATOM 0 HA ASN A 86 10.640 -9.102 -5.381 1.00 0.00 H new ATOM 0 HB2 ASN A 86 10.717 -11.330 -3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 86 10.208 -11.988 -5.169 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.601 -12.264 -5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.075 -13.060 -5.598 1.00 0.00 H new ATOM 1081 N ASP A 87 8.548 -9.179 -6.842 1.00 0.00 N ATOM 1082 CA ASP A 87 7.532 -9.342 -7.868 1.00 0.00 C ATOM 1083 C ASP A 87 8.149 -10.034 -9.085 1.00 0.00 C ATOM 1084 O ASP A 87 9.048 -9.490 -9.723 1.00 0.00 O ATOM 1085 CB ASP A 87 6.984 -7.988 -8.321 1.00 0.00 C ATOM 1086 CG ASP A 87 6.415 -7.113 -7.202 1.00 0.00 C ATOM 1087 OD1 ASP A 87 6.084 -7.604 -6.113 1.00 0.00 O ATOM 1088 OD2 ASP A 87 6.316 -5.859 -7.488 1.00 0.00 O ATOM 0 H ASP A 87 8.980 -8.256 -6.813 1.00 0.00 H new ATOM 0 HA ASP A 87 6.721 -9.936 -7.448 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.782 -7.439 -8.821 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.202 -8.159 -9.061 1.00 0.00 H new ATOM 1094 N ILE A 88 7.641 -11.224 -9.370 1.00 0.00 N ATOM 1095 CA ILE A 88 8.131 -11.996 -10.499 1.00 0.00 C ATOM 1096 C ILE A 88 7.029 -12.941 -10.982 1.00 0.00 C ATOM 1097 O ILE A 88 6.354 -13.578 -10.175 1.00 0.00 O ATOM 1098 CB ILE A 88 9.435 -12.709 -10.135 1.00 0.00 C ATOM 1099 CG1 ILE A 88 9.163 -14.125 -9.624 1.00 0.00 C ATOM 1100 CG2 ILE A 88 10.250 -11.885 -9.136 1.00 0.00 C ATOM 1101 CD1 ILE A 88 8.749 -15.051 -10.769 1.00 0.00 C ATOM 0 H ILE A 88 6.895 -11.672 -8.838 1.00 0.00 H new ATOM 0 HA ILE A 88 8.376 -11.338 -11.333 1.00 0.00 H new ATOM 0 HB ILE A 88 10.036 -12.804 -11.040 1.00 0.00 H new ATOM 0 HG12 ILE A 88 10.056 -14.518 -9.139 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.376 -14.099 -8.870 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.172 -12.414 -8.894 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.492 -10.917 -9.575 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.668 -11.736 -8.227 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.562 -16.051 -10.378 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.842 -14.668 -11.237 1.00 0.00 H new ATOM 0 HD13 ILE A 88 9.548 -15.094 -11.509 1.00 0.00 H new ATOM 1113 N ILE A 89 6.880 -13.001 -12.297 1.00 0.00 N ATOM 1114 CA ILE A 89 5.871 -13.857 -12.898 1.00 0.00 C ATOM 1115 C ILE A 89 6.327 -14.270 -14.299 1.00 0.00 C ATOM 1116 O ILE A 89 7.393 -13.860 -14.754 1.00 0.00 O ATOM 1117 CB ILE A 89 4.503 -13.171 -12.874 1.00 0.00 C ATOM 1118 CG1 ILE A 89 4.319 -12.361 -11.589 1.00 0.00 C ATOM 1119 CG2 ILE A 89 3.377 -14.187 -13.078 1.00 0.00 C ATOM 1120 CD1 ILE A 89 2.993 -11.597 -11.609 1.00 0.00 C ATOM 0 H ILE A 89 7.441 -12.471 -12.963 1.00 0.00 H new ATOM 0 HA ILE A 89 5.753 -14.772 -12.318 1.00 0.00 H new ATOM 0 HB ILE A 89 4.458 -12.469 -13.706 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.346 -13.028 -10.727 1.00 0.00 H new ATOM 0 HG13 ILE A 89 5.146 -11.660 -11.475 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.416 -13.674 -13.057 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.503 -14.681 -14.041 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.409 -14.930 -12.282 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.886 -11.029 -10.685 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.980 -10.914 -12.458 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.168 -12.303 -11.698 1.00 0.00 H new ATOM 1132 N GLU A 90 5.496 -15.077 -14.942 1.00 0.00 N ATOM 1133 CA GLU A 90 5.801 -15.551 -16.282 1.00 0.00 C ATOM 1134 C GLU A 90 4.704 -15.122 -17.259 1.00 0.00 C ATOM 1135 O GLU A 90 3.521 -15.161 -16.924 1.00 0.00 O ATOM 1136 CB GLU A 90 5.987 -17.069 -16.298 1.00 0.00 C ATOM 1137 CG GLU A 90 5.864 -17.622 -17.719 1.00 0.00 C ATOM 1138 CD GLU A 90 6.413 -19.048 -17.802 1.00 0.00 C ATOM 1139 OE1 GLU A 90 7.453 -19.276 -18.438 1.00 0.00 O ATOM 1140 OE2 GLU A 90 5.718 -19.936 -17.176 1.00 0.00 O ATOM 0 H GLU A 90 4.612 -15.415 -14.561 1.00 0.00 H new ATOM 0 HA GLU A 90 6.741 -15.100 -16.601 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.965 -17.323 -15.888 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.241 -17.537 -15.656 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.819 -17.612 -18.028 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.407 -16.979 -18.412 1.00 0.00 H new ATOM 1148 N ALA A 91 5.136 -14.724 -18.446 1.00 0.00 N ATOM 1149 CA ALA A 91 4.205 -14.289 -19.474 1.00 0.00 C ATOM 1150 C ALA A 91 4.520 -15.016 -20.782 1.00 0.00 C ATOM 1151 O ALA A 91 5.376 -14.578 -21.549 1.00 0.00 O ATOM 1152 CB ALA A 91 4.279 -12.767 -19.619 1.00 0.00 C ATOM 0 H ALA A 91 6.118 -14.693 -18.719 1.00 0.00 H new ATOM 0 HA ALA A 91 3.181 -14.540 -19.196 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.581 -12.441 -20.390 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.017 -12.298 -18.670 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.291 -12.477 -19.900 1.00 0.00 H new ATOM 1158 N HIS A 92 3.811 -16.114 -20.998 1.00 0.00 N ATOM 1159 CA HIS A 92 4.005 -16.906 -22.200 1.00 0.00 C ATOM 1160 C HIS A 92 3.163 -16.325 -23.338 1.00 0.00 C ATOM 1161 O HIS A 92 2.475 -15.322 -23.157 1.00 0.00 O ATOM 1162 CB HIS A 92 3.703 -18.382 -21.934 1.00 0.00 C ATOM 1163 CG HIS A 92 4.882 -19.299 -22.151 1.00 0.00 C ATOM 1164 ND1 HIS A 92 5.246 -19.770 -23.401 1.00 0.00 N ATOM 1165 CD2 HIS A 92 5.776 -19.827 -21.266 1.00 0.00 C ATOM 1166 CE1 HIS A 92 6.311 -20.545 -23.262 1.00 0.00 C ATOM 1167 NE2 HIS A 92 6.638 -20.580 -21.938 1.00 0.00 N ATOM 0 H HIS A 92 3.101 -16.474 -20.360 1.00 0.00 H new ATOM 0 HA HIS A 92 5.050 -16.859 -22.506 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.355 -18.492 -20.907 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.886 -18.698 -22.583 1.00 0.00 H new ATOM 0 HD2 HIS A 92 5.781 -19.660 -20.199 1.00 0.00 H new ATOM 0 HE1 HIS A 92 6.830 -21.059 -24.058 1.00 0.00 H new ATOM 0 HE2 HIS A 92 7.416 -21.099 -21.532 1.00 0.00 H new ATOM 1175 N ARG A 93 3.246 -16.980 -24.487 1.00 0.00 N ATOM 1176 CA ARG A 93 2.501 -16.541 -25.654 1.00 0.00 C ATOM 1177 C ARG A 93 1.535 -17.637 -26.110 1.00 0.00 C ATOM 1178 O ARG A 93 1.807 -18.823 -25.932 1.00 0.00 O ATOM 1179 CB ARG A 93 3.442 -16.189 -26.808 1.00 0.00 C ATOM 1180 CG ARG A 93 4.752 -16.973 -26.707 1.00 0.00 C ATOM 1181 CD ARG A 93 5.651 -16.399 -25.610 1.00 0.00 C ATOM 1182 NE ARG A 93 7.041 -16.285 -26.104 1.00 0.00 N ATOM 1183 CZ ARG A 93 7.782 -17.330 -26.531 1.00 0.00 C ATOM 1184 NH1 ARG A 93 7.269 -18.579 -26.527 1.00 0.00 N ATOM 1185 NH2 ARG A 93 9.014 -17.112 -26.952 1.00 0.00 N ATOM 0 H ARG A 93 3.818 -17.812 -24.634 1.00 0.00 H new ATOM 0 HA ARG A 93 1.940 -15.650 -25.373 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.955 -16.408 -27.758 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.652 -15.120 -26.797 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.538 -18.021 -26.495 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.274 -16.941 -27.663 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.284 -15.420 -25.303 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.620 -17.041 -24.730 1.00 0.00 H new ATOM 0 HE ARG A 93 7.467 -15.358 -26.123 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.316 -18.738 -26.200 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.834 -19.364 -26.851 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.393 -16.165 -26.951 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.587 -17.891 -27.278 1.00 0.00 H new ATOM 1198 N GLU A 94 0.426 -17.200 -26.688 1.00 0.00 N ATOM 1199 CA GLU A 94 -0.583 -18.128 -27.171 1.00 0.00 C ATOM 1200 C GLU A 94 -1.431 -17.471 -28.262 1.00 0.00 C ATOM 1201 O GLU A 94 -2.548 -17.027 -28.001 1.00 0.00 O ATOM 1202 CB GLU A 94 -1.460 -18.631 -26.022 1.00 0.00 C ATOM 1203 CG GLU A 94 -2.776 -19.207 -26.549 1.00 0.00 C ATOM 1204 CD GLU A 94 -3.154 -20.485 -25.798 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -3.657 -20.414 -24.667 1.00 0.00 O ATOM 1206 OE2 GLU A 94 -2.909 -21.582 -26.431 1.00 0.00 O ATOM 0 H GLU A 94 0.204 -16.215 -26.833 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.077 -18.991 -27.603 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.924 -19.395 -25.458 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.667 -17.813 -25.333 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.570 -18.468 -26.440 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.683 -19.420 -27.614 1.00 0.00 H new ATOM 1214 N GLN A 95 -0.868 -17.430 -29.460 1.00 0.00 N ATOM 1215 CA GLN A 95 -1.558 -16.835 -30.591 1.00 0.00 C ATOM 1216 C GLN A 95 -1.127 -17.513 -31.893 1.00 0.00 C ATOM 1217 O GLN A 95 0.066 -17.641 -32.165 1.00 0.00 O ATOM 1218 CB GLN A 95 -1.313 -15.326 -30.652 1.00 0.00 C ATOM 1219 CG GLN A 95 -1.977 -14.711 -31.885 1.00 0.00 C ATOM 1220 CD GLN A 95 -1.025 -13.747 -32.597 1.00 0.00 C ATOM 1221 OE1 GLN A 95 -0.721 -12.667 -32.117 1.00 0.00 O ATOM 1222 NE2 GLN A 95 -0.574 -14.195 -33.765 1.00 0.00 N ATOM 0 H GLN A 95 0.059 -17.799 -29.672 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.629 -16.991 -30.460 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.704 -14.854 -29.751 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.241 -15.129 -30.676 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.280 -15.501 -32.571 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.882 -14.181 -31.589 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.868 -15.109 -34.109 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.066 -13.625 -34.317 1.00 0.00 H new ATOM 1231 N ILE A 96 -2.121 -17.930 -32.664 1.00 0.00 N ATOM 1232 CA ILE A 96 -1.860 -18.592 -33.930 1.00 0.00 C ATOM 1233 C ILE A 96 -1.952 -17.569 -35.064 1.00 0.00 C ATOM 1234 O ILE A 96 -2.806 -16.684 -35.039 1.00 0.00 O ATOM 1235 CB ILE A 96 -2.789 -19.794 -34.109 1.00 0.00 C ATOM 1236 CG1 ILE A 96 -2.544 -20.843 -33.023 1.00 0.00 C ATOM 1237 CG2 ILE A 96 -2.660 -20.383 -35.515 1.00 0.00 C ATOM 1238 CD1 ILE A 96 -3.543 -20.688 -31.875 1.00 0.00 C ATOM 0 H ILE A 96 -3.109 -17.822 -32.435 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.848 -18.997 -33.946 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.817 -19.450 -33.998 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.629 -21.842 -33.451 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.528 -20.746 -32.641 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.331 -21.236 -35.615 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.924 -19.625 -36.253 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.633 -20.708 -35.680 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.346 -21.446 -31.117 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.439 -19.697 -31.433 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.557 -20.810 -32.256 1.00 0.00 H new TER 1250 ILE A 96