USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot 128:sc= 1.4 USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 168:sc=-0.000818 (180deg=-0.166) USER MOD Single : A 1 MET N :NH3+ -168:sc= 1.06 (180deg=0.66) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 12 THR OG1 : rot 74:sc= 0.296 USER MOD Single : A 13 ASN : amide:sc= -0.0618 K(o=-0.062,f=-1.5!) USER MOD Single : A 14 ASN : amide:sc= -0.0535 K(o=-0.054,f=-1.4!) USER MOD Single : A 16 THR OG1 : rot -98:sc= 0.0863 USER MOD Single : A 22 GLN : amide:sc= -0.0707 X(o=-0.071,f=-0.13) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 1.13 (180deg=1.13) USER MOD Single : A 25 SER OG : rot 77:sc= 1.17 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -39:sc= 1.24 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 47 SER OG : rot 65:sc= 1.23 USER MOD Single : A 51 SER OG : rot 95:sc= 1.23 USER MOD Single : A 52 HIS : no HE2:sc= -0.3 K(o=-0.3,f=-1.1) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.052 K(o=0.052,f=-3.7!) USER MOD Single : A 61 SER OG : rot -48:sc= 1.23 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= 0.38 K(o=0.38,f=-1.6) USER MOD Single : A 70 SER OG : rot -30:sc= 0.702 USER MOD Single : A 77 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 78 MET CE :methyl -162:sc= -0.0734 (180deg=-0.467) USER MOD Single : A 82 TYR OH : rot 28:sc= 1.27 USER MOD Single : A 84 THR OG1 : rot 70:sc= 0.787 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.502 13.982 -0.434 1.00 0.00 N0 ATOM 2 CA MET A 1 4.740 14.257 -1.646 1.00 0.00 C0 ATOM 3 C MET A 1 5.275 15.486 -2.367 1.00 0.00 C0 ATOM 4 O MET A 1 5.063 15.656 -3.568 1.00 0.00 O0 ATOM 5 CB MET A 1 3.261 14.438 -1.310 1.00 0.00 C0 ATOM 6 CG MET A 1 2.578 13.186 -0.777 1.00 0.00 C0 ATOM 7 SD MET A 1 0.852 13.470 -0.335 1.00 0.00 S0 ATOM 8 CE MET A 1 0.115 13.660 -1.954 1.00 0.00 C0 ATOM 0 H1 MET A 1 5.254 13.038 -0.075 1.00 0.00 H new ATOM 0 H2 MET A 1 6.519 14.015 -0.648 1.00 0.00 H new ATOM 0 H3 MET A 1 5.277 14.697 0.287 1.00 0.00 H new ATOM 0 HA MET A 1 4.849 13.403 -2.315 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.164 15.233 -0.570 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.736 14.770 -2.205 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.631 12.399 -1.530 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.119 12.827 0.099 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.971 13.629 -1.865 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.417 14.616 -2.381 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.449 12.851 -2.603 1.00 0.00 H new ATOM 20 N ALA A 2 5.971 16.343 -1.627 1.00 0.00 N0 ATOM 21 CA ALA A 2 6.514 17.575 -2.189 1.00 0.00 C0 ATOM 22 C ALA A 2 7.581 17.281 -3.235 1.00 0.00 C0 ATOM 23 O ALA A 2 7.803 18.075 -4.149 1.00 0.00 O0 ATOM 24 CB ALA A 2 7.083 18.455 -1.085 1.00 0.00 C0 ATOM 0 H ALA A 2 6.172 16.207 -0.636 1.00 0.00 H new ATOM 0 HA ALA A 2 5.700 18.108 -2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.484 19.370 -1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.294 18.706 -0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.879 17.920 -0.567 1.00 0.00 H new ATOM 30 N GLU A 3 8.239 16.136 -3.095 1.00 0.00 N0 ATOM 31 CA GLU A 3 9.323 15.760 -3.995 1.00 0.00 C0 ATOM 32 C GLU A 3 8.799 15.462 -5.394 1.00 0.00 C0 ATOM 33 O GLU A 3 9.572 15.335 -6.343 1.00 0.00 O0 ATOM 34 CB GLU A 3 10.071 14.541 -3.451 1.00 0.00 C0 ATOM 35 CG GLU A 3 9.249 13.260 -3.422 1.00 0.00 C0 ATOM 36 CD GLU A 3 8.461 13.098 -2.152 1.00 0.00 C0 ATOM 37 OE1 GLU A 3 8.045 14.091 -1.603 1.00 0.00 O0 ATOM 38 OE2 GLU A 3 8.275 11.982 -1.729 1.00 0.00 O1- ATOM 0 H GLU A 3 8.040 15.451 -2.366 1.00 0.00 H new ATOM 0 HA GLU A 3 10.010 16.604 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.960 14.374 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.413 14.761 -2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.565 13.254 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.914 12.405 -3.542 1.00 0.00 H new ATOM 45 N TYR A 4 7.480 15.353 -5.515 1.00 0.00 N0 ATOM 46 CA TYR A 4 6.841 15.191 -6.816 1.00 0.00 C0 ATOM 47 C TYR A 4 7.216 16.328 -7.759 1.00 0.00 C0 ATOM 48 O TYR A 4 7.346 16.128 -8.966 1.00 0.00 O0 ATOM 49 CB TYR A 4 5.321 15.112 -6.659 1.00 0.00 C0 ATOM 50 CG TYR A 4 4.577 15.004 -7.972 1.00 0.00 C0 ATOM 51 CD1 TYR A 4 4.678 13.849 -8.734 1.00 0.00 C0 ATOM 52 CD2 TYR A 4 3.794 16.060 -8.415 1.00 0.00 C0 ATOM 53 CE1 TYR A 4 3.998 13.750 -9.933 1.00 0.00 C0 ATOM 54 CE2 TYR A 4 3.115 15.961 -9.613 1.00 0.00 C0 ATOM 55 CZ TYR A 4 3.215 14.812 -10.370 1.00 0.00 C0 ATOM 56 OH TYR A 4 2.538 14.714 -11.565 1.00 0.00 O0 ATOM 0 H TYR A 4 6.832 15.374 -4.727 1.00 0.00 H new ATOM 0 HA TYR A 4 7.199 14.258 -7.251 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.073 14.250 -6.040 1.00 0.00 H new ATOM 0 HB3 TYR A 4 4.973 15.997 -6.127 1.00 0.00 H new ATOM 0 HD1 TYR A 4 5.288 13.027 -8.390 1.00 0.00 H new ATOM 0 HD2 TYR A 4 3.716 16.960 -7.823 1.00 0.00 H new ATOM 0 HE1 TYR A 4 4.075 12.852 -10.528 1.00 0.00 H new ATOM 0 HE2 TYR A 4 2.505 16.783 -9.958 1.00 0.00 H new ATOM 0 HH TYR A 4 2.036 15.540 -11.725 1.00 0.00 H new ATOM 66 N GLY A 5 7.389 17.521 -7.200 1.00 0.00 N0 ATOM 67 CA GLY A 5 7.732 18.696 -7.992 1.00 0.00 C0 ATOM 68 C GLY A 5 8.973 18.445 -8.840 1.00 0.00 C0 ATOM 69 O GLY A 5 9.017 18.809 -10.015 1.00 0.00 O0 ATOM 0 H GLY A 5 7.297 17.700 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.894 18.960 -8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.905 19.545 -7.331 1.00 0.00 H new ATOM 73 N THR A 6 9.979 17.824 -8.236 1.00 0.00 N0 ATOM 74 CA THR A 6 11.197 17.463 -8.953 1.00 0.00 C0 ATOM 75 C THR A 6 10.914 16.427 -10.034 1.00 0.00 C0 ATOM 76 O THR A 6 11.391 16.548 -11.162 1.00 0.00 O0 ATOM 77 CB THR A 6 12.269 16.922 -7.988 1.00 0.00 C0 ATOM 78 OG1 THR A 6 12.620 17.940 -7.042 1.00 0.00 O0 ATOM 79 CG2 THR A 6 13.512 16.497 -8.755 1.00 0.00 C0 ATOM 0 H THR A 6 9.976 17.560 -7.251 1.00 0.00 H new ATOM 0 HA THR A 6 11.573 18.370 -9.426 1.00 0.00 H new ATOM 0 HB THR A 6 11.863 16.055 -7.466 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.301 17.595 -6.427 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.258 16.118 -8.057 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.250 15.714 -9.467 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.919 17.354 -9.291 1.00 0.00 H new ATOM 87 N LEU A 7 10.135 15.410 -9.683 1.00 0.00 N0 ATOM 88 CA LEU A 7 9.749 14.376 -10.636 1.00 0.00 C0 ATOM 89 C LEU A 7 9.005 14.972 -11.825 1.00 0.00 C0 ATOM 90 O LEU A 7 9.327 14.684 -12.978 1.00 0.00 O0 ATOM 91 CB LEU A 7 8.867 13.326 -9.949 1.00 0.00 C0 ATOM 92 CG LEU A 7 8.195 12.310 -10.881 1.00 0.00 C0 ATOM 93 CD1 LEU A 7 9.254 11.610 -11.721 1.00 0.00 C0 ATOM 94 CD2 LEU A 7 7.402 11.308 -10.054 1.00 0.00 C0 ATOM 0 H LEU A 7 9.758 15.279 -8.744 1.00 0.00 H new ATOM 0 HA LEU A 7 10.660 13.902 -11.002 1.00 0.00 H new ATOM 0 HB2 LEU A 7 9.477 12.782 -9.227 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.091 13.843 -9.385 1.00 0.00 H new ATOM 0 HG LEU A 7 7.507 12.822 -11.554 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.775 10.888 -12.383 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.792 12.347 -12.317 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.954 11.092 -11.066 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.925 10.586 -10.717 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.074 10.786 -9.373 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.639 11.833 -9.480 1.00 0.00 H new ATOM 106 N LEU A 8 8.011 15.805 -11.536 1.00 0.00 N0 ATOM 107 CA LEU A 8 7.203 16.423 -12.582 1.00 0.00 C0 ATOM 108 C LEU A 8 8.075 17.156 -13.593 1.00 0.00 C0 ATOM 109 O LEU A 8 7.851 17.066 -14.800 1.00 0.00 O0 ATOM 110 CB LEU A 8 6.195 17.399 -11.964 1.00 0.00 C0 ATOM 111 CG LEU A 8 5.249 18.094 -12.952 1.00 0.00 C0 ATOM 112 CD1 LEU A 8 4.419 17.048 -13.683 1.00 0.00 C0 ATOM 113 CD2 LEU A 8 4.360 19.074 -12.202 1.00 0.00 C0 ATOM 0 H LEU A 8 7.745 16.068 -10.587 1.00 0.00 H new ATOM 0 HA LEU A 8 6.667 15.630 -13.103 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.594 16.857 -11.234 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.746 18.164 -11.418 1.00 0.00 H new ATOM 0 HG LEU A 8 5.826 18.651 -13.690 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.747 17.542 -14.385 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.080 16.374 -14.227 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.834 16.478 -12.961 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.688 19.567 -12.905 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.774 18.537 -11.456 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.980 19.822 -11.707 1.00 0.00 H new ATOM 125 N GLN A 9 9.071 17.880 -13.093 1.00 0.00 N0 ATOM 126 CA GLN A 9 10.014 18.584 -13.953 1.00 0.00 C0 ATOM 127 C GLN A 9 10.823 17.608 -14.798 1.00 0.00 C0 ATOM 128 O GLN A 9 11.031 17.829 -15.990 1.00 0.00 O0 ATOM 129 CB GLN A 9 10.954 19.456 -13.117 1.00 0.00 C0 ATOM 130 CG GLN A 9 10.282 20.658 -12.476 1.00 0.00 C0 ATOM 131 CD GLN A 9 11.219 21.428 -11.564 1.00 0.00 C0 ATOM 132 OE1 GLN A 9 12.290 20.937 -11.196 1.00 0.00 O0 ATOM 133 NE2 GLN A 9 10.821 22.640 -11.195 1.00 0.00 N0 ATOM 0 H GLN A 9 9.246 17.994 -12.095 1.00 0.00 H new ATOM 0 HA GLN A 9 9.439 19.223 -14.624 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.400 18.843 -12.334 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.769 19.805 -13.752 1.00 0.00 H new ATOM 0 HG2 GLN A 9 9.912 21.323 -13.257 1.00 0.00 H new ATOM 0 HG3 GLN A 9 9.416 20.324 -11.904 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.927 23.005 -11.524 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.409 23.205 -10.583 1.00 0.00 H new ATOM 142 N ASP A 10 11.278 16.528 -14.171 1.00 0.00 N0 ATOM 143 CA ASP A 10 12.055 15.509 -14.868 1.00 0.00 C0 ATOM 144 C ASP A 10 11.205 14.777 -15.898 1.00 0.00 C0 ATOM 145 O ASP A 10 11.690 14.410 -16.969 1.00 0.00 O0 ATOM 146 CB ASP A 10 12.638 14.504 -13.870 1.00 0.00 C0 ATOM 147 CG ASP A 10 13.776 15.083 -13.042 1.00 0.00 C0 ATOM 148 OD1 ASP A 10 14.257 16.138 -13.385 1.00 0.00 O0 ATOM 149 OD2 ASP A 10 14.154 14.467 -12.076 1.00 0.00 O1- ATOM 0 H ASP A 10 11.122 16.336 -13.181 1.00 0.00 H new ATOM 0 HA ASP A 10 12.870 16.012 -15.388 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.847 14.162 -13.202 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.998 13.629 -14.412 1.00 0.00 H new ATOM 154 N LEU A 11 9.935 14.567 -15.568 1.00 0.00 N0 ATOM 155 CA LEU A 11 8.994 13.954 -16.498 1.00 0.00 C0 ATOM 156 C LEU A 11 8.806 14.816 -17.740 1.00 0.00 C0 ATOM 157 O LEU A 11 8.727 14.305 -18.857 1.00 0.00 O0 ATOM 158 CB LEU A 11 7.640 13.732 -15.812 1.00 0.00 C0 ATOM 159 CG LEU A 11 7.606 12.624 -14.752 1.00 0.00 C0 ATOM 160 CD1 LEU A 11 6.264 12.651 -14.032 1.00 0.00 C0 ATOM 161 CD2 LEU A 11 7.841 11.276 -15.418 1.00 0.00 C0 ATOM 0 H LEU A 11 9.534 14.812 -14.663 1.00 0.00 H new ATOM 0 HA LEU A 11 9.406 12.993 -16.806 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.333 14.667 -15.344 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.899 13.500 -16.577 1.00 0.00 H new ATOM 0 HG LEU A 11 8.395 12.787 -14.018 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.239 11.864 -13.279 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.129 13.619 -13.550 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.462 12.490 -14.752 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.817 10.489 -14.665 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.061 11.095 -16.157 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.814 11.278 -15.910 1.00 0.00 H new ATOM 173 N THR A 12 8.734 16.128 -17.538 1.00 0.00 N0 ATOM 174 CA THR A 12 8.628 17.069 -18.646 1.00 0.00 C0 ATOM 175 C THR A 12 9.887 17.054 -19.504 1.00 0.00 C0 ATOM 176 O THR A 12 9.814 17.114 -20.731 1.00 0.00 O0 ATOM 177 CB THR A 12 8.365 18.499 -18.137 1.00 0.00 C0 ATOM 178 OG1 THR A 12 7.134 18.529 -17.406 1.00 0.00 O0 ATOM 179 CG2 THR A 12 8.284 19.473 -19.302 1.00 0.00 C0 ATOM 0 H THR A 12 8.747 16.563 -16.616 1.00 0.00 H new ATOM 0 HA THR A 12 7.783 16.753 -19.258 1.00 0.00 H new ATOM 0 HB THR A 12 9.188 18.795 -17.487 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.259 18.093 -16.537 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.098 20.478 -18.924 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.225 19.461 -19.852 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.471 19.179 -19.966 1.00 0.00 H new ATOM 187 N ASN A 13 11.040 16.974 -18.850 1.00 0.00 N0 ATOM 188 CA ASN A 13 12.320 16.992 -19.549 1.00 0.00 C0 ATOM 189 C ASN A 13 12.510 15.731 -20.384 1.00 0.00 C0 ATOM 190 O ASN A 13 13.053 15.782 -21.487 1.00 0.00 O0 ATOM 191 CB ASN A 13 13.464 17.157 -18.565 1.00 0.00 C0 ATOM 192 CG ASN A 13 13.537 18.546 -17.994 1.00 0.00 C0 ATOM 193 OD1 ASN A 13 13.032 19.504 -18.590 1.00 0.00 O0 ATOM 194 ND2 ASN A 13 14.157 18.674 -16.848 1.00 0.00 N0 ATOM 0 H ASN A 13 11.115 16.896 -17.836 1.00 0.00 H new ATOM 0 HA ASN A 13 12.319 17.846 -20.226 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.347 16.440 -17.753 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.405 16.923 -19.064 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.238 19.592 -16.412 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.559 17.855 -16.391 1.00 0.00 H new ATOM 201 N ASN A 14 12.058 14.602 -19.850 1.00 0.00 N0 ATOM 202 CA ASN A 14 12.281 13.310 -20.489 1.00 0.00 C0 ATOM 203 C ASN A 14 11.122 12.942 -21.406 1.00 0.00 C0 ATOM 204 O ASN A 14 11.324 12.596 -22.570 1.00 0.00 O0 ATOM 205 CB ASN A 14 12.501 12.230 -19.447 1.00 0.00 C0 ATOM 206 CG ASN A 14 13.830 12.357 -18.754 1.00 0.00 C0 ATOM 207 OD1 ASN A 14 14.762 12.972 -19.282 1.00 0.00 O0 ATOM 208 ND2 ASN A 14 13.932 11.789 -17.579 1.00 0.00 N0 ATOM 0 H ASN A 14 11.535 14.555 -18.976 1.00 0.00 H new ATOM 0 HA ASN A 14 13.180 13.389 -21.100 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.703 12.277 -18.706 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.436 11.252 -19.924 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.808 11.844 -17.060 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.135 11.291 -17.182 1.00 0.00 H new ATOM 215 N ILE A 15 9.906 13.018 -20.874 1.00 0.00 N0 ATOM 216 CA ILE A 15 8.725 12.559 -21.597 1.00 0.00 C0 ATOM 217 C ILE A 15 7.916 13.735 -22.131 1.00 0.00 C0 ATOM 218 O ILE A 15 7.663 14.704 -21.416 1.00 0.00 O0 ATOM 219 CB ILE A 15 7.832 11.690 -20.692 1.00 0.00 C0 ATOM 220 CG1 ILE A 15 8.612 10.477 -20.179 1.00 0.00 C0 ATOM 221 CG2 ILE A 15 6.585 11.247 -21.443 1.00 0.00 C0 ATOM 222 CD1 ILE A 15 7.908 9.721 -19.075 1.00 0.00 C0 ATOM 0 H ILE A 15 9.713 13.393 -19.945 1.00 0.00 H new ATOM 0 HA ILE A 15 9.071 11.959 -22.439 1.00 0.00 H new ATOM 0 HB ILE A 15 7.522 12.287 -19.834 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.797 9.798 -21.011 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.585 10.809 -19.816 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.965 10.634 -20.789 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.021 12.124 -21.761 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.875 10.665 -22.318 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.522 8.876 -18.764 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.747 10.384 -18.225 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.947 9.357 -19.439 1.00 0.00 H new ATOM 234 N THR A 16 7.512 13.642 -23.394 1.00 0.00 N0 ATOM 235 CA THR A 16 6.738 14.701 -24.029 1.00 0.00 C0 ATOM 236 C THR A 16 5.363 14.838 -23.390 1.00 0.00 C0 ATOM 237 O THR A 16 4.858 13.901 -22.772 1.00 0.00 O0 ATOM 238 CB THR A 16 6.583 14.445 -25.540 1.00 0.00 C0 ATOM 239 OG1 THR A 16 5.812 13.255 -25.749 1.00 0.00 O0 ATOM 240 CG2 THR A 16 7.946 14.282 -26.195 1.00 0.00 C0 ATOM 0 H THR A 16 7.708 12.843 -23.998 1.00 0.00 H new ATOM 0 HA THR A 16 7.286 15.632 -23.884 1.00 0.00 H new ATOM 0 HB THR A 16 6.075 15.299 -25.988 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.414 12.502 -25.926 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.818 14.102 -27.262 1.00 0.00 H new ATOM 0 HG22 THR A 16 8.531 15.190 -26.048 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.467 13.437 -25.745 1.00 0.00 H new ATOM 248 N LEU A 17 4.758 16.011 -23.543 1.00 0.00 N0 ATOM 249 CA LEU A 17 3.484 16.307 -22.898 1.00 0.00 C0 ATOM 250 C LEU A 17 2.391 15.360 -23.378 1.00 0.00 C0 ATOM 251 O LEU A 17 1.549 14.922 -22.595 1.00 0.00 O0 ATOM 252 CB LEU A 17 3.072 17.758 -23.180 1.00 0.00 C0 ATOM 253 CG LEU A 17 3.937 18.836 -22.516 1.00 0.00 C0 ATOM 254 CD1 LEU A 17 3.506 20.210 -23.011 1.00 0.00 C0 ATOM 255 CD2 LEU A 17 3.806 18.734 -21.004 1.00 0.00 C0 ATOM 0 H LEU A 17 5.130 16.773 -24.109 1.00 0.00 H new ATOM 0 HA LEU A 17 3.612 16.169 -21.824 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.089 17.918 -24.258 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.041 17.894 -22.853 1.00 0.00 H new ATOM 0 HG LEU A 17 4.984 18.688 -22.781 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.121 20.976 -22.539 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.629 20.262 -24.093 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.459 20.377 -22.756 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.421 19.501 -20.533 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.764 18.879 -20.718 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.139 17.749 -20.676 1.00 0.00 H new ATOM 267 N GLU A 18 2.411 15.048 -24.669 1.00 0.00 N0 ATOM 268 CA GLU A 18 1.425 14.147 -25.254 1.00 0.00 C0 ATOM 269 C GLU A 18 1.586 12.730 -24.717 1.00 0.00 C0 ATOM 270 O GLU A 18 0.606 12.071 -24.371 1.00 0.00 O0 ATOM 271 CB GLU A 18 1.546 14.141 -26.779 1.00 0.00 C0 ATOM 272 CG GLU A 18 1.113 15.438 -27.449 1.00 0.00 C0 ATOM 273 CD GLU A 18 1.313 15.422 -28.939 1.00 0.00 C0 ATOM 274 OE1 GLU A 18 1.919 14.499 -29.428 1.00 0.00 O0 ATOM 275 OE2 GLU A 18 0.860 16.334 -29.589 1.00 0.00 O1- ATOM 0 H GLU A 18 3.100 15.406 -25.331 1.00 0.00 H new ATOM 0 HA GLU A 18 0.436 14.510 -24.975 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.582 13.935 -27.048 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.945 13.323 -27.176 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.061 15.620 -27.231 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.676 16.268 -27.021 1.00 0.00 H new ATOM 282 N ASP A 19 2.830 12.265 -24.651 1.00 0.00 N0 ATOM 283 CA ASP A 19 3.121 10.918 -24.176 1.00 0.00 C0 ATOM 284 C ASP A 19 2.848 10.790 -22.683 1.00 0.00 C0 ATOM 285 O ASP A 19 2.313 9.781 -22.224 1.00 0.00 O0 ATOM 286 CB ASP A 19 4.577 10.549 -24.469 1.00 0.00 C0 ATOM 287 CG ASP A 19 4.838 10.299 -25.948 1.00 0.00 C0 ATOM 288 OD1 ASP A 19 3.895 10.072 -26.668 1.00 0.00 O0 ATOM 289 OD2 ASP A 19 5.978 10.337 -26.344 1.00 0.00 O1- ATOM 0 H ASP A 19 3.653 12.803 -24.921 1.00 0.00 H new ATOM 0 HA ASP A 19 2.463 10.230 -24.708 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.227 11.352 -24.121 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.841 9.656 -23.902 1.00 0.00 H new ATOM 294 N LEU A 20 3.221 11.818 -21.928 1.00 0.00 N0 ATOM 295 CA LEU A 20 3.058 11.803 -20.479 1.00 0.00 C0 ATOM 296 C LEU A 20 1.586 11.746 -20.091 1.00 0.00 C0 ATOM 297 O LEU A 20 1.202 11.006 -19.186 1.00 0.00 O0 ATOM 298 CB LEU A 20 3.708 13.047 -19.861 1.00 0.00 C0 ATOM 299 CG LEU A 20 3.695 13.112 -18.327 1.00 0.00 C0 ATOM 300 CD1 LEU A 20 4.432 11.905 -17.762 1.00 0.00 C0 ATOM 301 CD2 LEU A 20 4.342 14.411 -17.869 1.00 0.00 C0 ATOM 0 H LEU A 20 3.639 12.673 -22.296 1.00 0.00 H new ATOM 0 HA LEU A 20 3.549 10.909 -20.096 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.743 13.100 -20.200 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.200 13.930 -20.248 1.00 0.00 H new ATOM 0 HG LEU A 20 2.668 13.091 -17.961 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.423 11.950 -16.673 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.938 10.991 -18.091 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.463 11.909 -18.117 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.333 14.458 -16.780 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.371 14.450 -18.225 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.786 15.257 -18.273 1.00 0.00 H new ATOM 313 N GLU A 21 0.767 12.531 -20.781 1.00 0.00 N0 ATOM 314 CA GLU A 21 -0.675 12.518 -20.558 1.00 0.00 C0 ATOM 315 C GLU A 21 -1.283 11.184 -20.971 1.00 0.00 C0 ATOM 316 O GLU A 21 -2.235 10.708 -20.353 1.00 0.00 O0 ATOM 317 CB GLU A 21 -1.344 13.656 -21.331 1.00 0.00 C0 ATOM 318 CG GLU A 21 -1.044 15.046 -20.788 1.00 0.00 C0 ATOM 319 CD GLU A 21 -1.571 15.257 -19.396 1.00 0.00 C0 ATOM 320 OE1 GLU A 21 -2.667 14.828 -19.124 1.00 0.00 O0 ATOM 321 OE2 GLU A 21 -0.877 15.846 -18.601 1.00 0.00 O1- ATOM 0 H GLU A 21 1.076 13.185 -21.500 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.849 12.659 -19.491 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.024 13.609 -22.372 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.423 13.500 -21.322 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.034 15.207 -20.791 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.479 15.792 -21.453 1.00 0.00 H new ATOM 328 N GLN A 22 -0.730 10.586 -22.020 1.00 0.00 N0 ATOM 329 CA GLN A 22 -1.173 9.274 -22.476 1.00 0.00 C0 ATOM 330 C GLN A 22 -0.848 8.195 -21.450 1.00 0.00 C0 ATOM 331 O GLN A 22 -1.644 7.285 -21.220 1.00 0.00 O0 ATOM 332 CB GLN A 22 -0.527 8.927 -23.820 1.00 0.00 C0 ATOM 333 CG GLN A 22 -1.017 7.624 -24.429 1.00 0.00 C0 ATOM 334 CD GLN A 22 -2.494 7.665 -24.770 1.00 0.00 C0 ATOM 335 OE1 GLN A 22 -2.971 8.599 -25.422 1.00 0.00 O0 ATOM 336 NE2 GLN A 22 -3.230 6.651 -24.331 1.00 0.00 N0 ATOM 0 H GLN A 22 0.027 10.990 -22.571 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.255 9.314 -22.601 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.719 9.738 -24.523 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.553 8.869 -23.687 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.444 7.410 -25.331 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.830 6.807 -23.732 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.795 5.900 -23.796 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.230 6.623 -24.529 1.00 0.00 H new ATOM 345 N LEU A 23 0.325 8.304 -20.836 1.00 0.00 N0 ATOM 346 CA LEU A 23 0.736 7.366 -19.798 1.00 0.00 C0 ATOM 347 C LEU A 23 -0.184 7.448 -18.587 1.00 0.00 C0 ATOM 348 O LEU A 23 -0.585 6.426 -18.030 1.00 0.00 O0 ATOM 349 CB LEU A 23 2.181 7.649 -19.370 1.00 0.00 C0 ATOM 350 CG LEU A 23 3.259 7.330 -20.414 1.00 0.00 C0 ATOM 351 CD1 LEU A 23 4.602 7.869 -19.939 1.00 0.00 C0 ATOM 352 CD2 LEU A 23 3.321 5.826 -20.636 1.00 0.00 C0 ATOM 0 H LEU A 23 1.009 9.033 -21.039 1.00 0.00 H new ATOM 0 HA LEU A 23 0.672 6.360 -20.212 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.261 8.702 -19.102 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.393 7.074 -18.469 1.00 0.00 H new ATOM 0 HG LEU A 23 3.013 7.808 -21.362 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.368 7.642 -20.681 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.534 8.949 -19.806 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.866 7.402 -18.990 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.087 5.599 -21.378 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.567 5.329 -19.697 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.354 5.471 -20.992 1.00 0.00 H new ATOM 364 N LYS A 24 -0.516 8.670 -18.183 1.00 0.00 N0 ATOM 365 CA LYS A 24 -1.440 8.887 -17.077 1.00 0.00 C0 ATOM 366 C LYS A 24 -2.840 8.397 -17.424 1.00 0.00 C0 ATOM 367 O LYS A 24 -3.530 7.816 -16.586 1.00 0.00 O0 ATOM 368 CB LYS A 24 -1.482 10.367 -16.695 1.00 0.00 C0 ATOM 369 CG LYS A 24 -0.222 10.874 -16.004 1.00 0.00 C0 ATOM 370 CD LYS A 24 -0.419 12.281 -15.460 1.00 0.00 C0 ATOM 371 CE LYS A 24 -0.548 13.297 -16.585 1.00 0.00 C0 ATOM 372 NZ LYS A 24 -0.700 14.684 -16.067 1.00 0.00 N1+ ATOM 0 H LYS A 24 -0.158 9.526 -18.606 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.078 8.312 -16.225 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.651 10.958 -17.595 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.335 10.536 -16.038 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.045 10.201 -15.189 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.610 10.867 -16.708 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.313 12.310 -14.837 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.423 12.547 -14.822 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.333 13.243 -17.225 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.408 13.045 -17.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.785 15.345 -16.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.554 14.742 -15.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.133 14.935 -15.497 1.00 0.00 H new ATOM 386 N SER A 25 -3.253 8.633 -18.664 1.00 0.00 N0 ATOM 387 CA SER A 25 -4.560 8.188 -19.135 1.00 0.00 C0 ATOM 388 C SER A 25 -4.657 6.668 -19.134 1.00 0.00 C0 ATOM 389 O SER A 25 -5.696 6.102 -18.792 1.00 0.00 O0 ATOM 390 CB SER A 25 -4.822 8.719 -20.530 1.00 0.00 C0 ATOM 391 OG SER A 25 -4.919 10.117 -20.526 1.00 0.00 O0 ATOM 0 H SER A 25 -2.701 9.131 -19.363 1.00 0.00 H new ATOM 0 HA SER A 25 -5.314 8.580 -18.452 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.018 8.409 -21.198 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.744 8.288 -20.920 1.00 0.00 H new ATOM 0 HG SER A 25 -4.022 10.507 -20.465 1.00 0.00 H new ATOM 397 N ALA A 26 -3.568 6.010 -19.516 1.00 0.00 N0 ATOM 398 CA ALA A 26 -3.520 4.553 -19.536 1.00 0.00 C0 ATOM 399 C ALA A 26 -3.762 3.976 -18.147 1.00 0.00 C0 ATOM 400 O ALA A 26 -4.455 2.970 -17.995 1.00 0.00 O0 ATOM 401 CB ALA A 26 -2.183 4.074 -20.082 1.00 0.00 C0 ATOM 0 H ALA A 26 -2.705 6.464 -19.816 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.315 4.199 -20.192 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.163 2.984 -20.091 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.050 4.447 -21.097 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.377 4.447 -19.450 1.00 0.00 H new ATOM 407 N CYS A 27 -3.186 4.618 -17.137 1.00 0.00 N0 ATOM 408 CA CYS A 27 -3.421 4.233 -15.750 1.00 0.00 C0 ATOM 409 C CYS A 27 -4.832 4.601 -15.308 1.00 0.00 C0 ATOM 410 O CYS A 27 -5.510 3.816 -14.646 1.00 0.00 O0 ATOM 411 CB CYS A 27 -2.410 4.908 -14.824 1.00 0.00 C0 ATOM 412 SG CYS A 27 -0.718 4.296 -15.007 1.00 0.00 S0 ATOM 0 H CYS A 27 -2.552 5.409 -17.253 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.303 3.151 -15.687 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.419 5.981 -15.014 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.727 4.765 -13.791 1.00 0.00 H new ATOM 0 HG CYS A 27 0.064 4.929 -14.184 1.00 0.00 H new ATOM 418 N LYS A 28 -5.268 5.801 -15.679 1.00 0.00 N0 ATOM 419 CA LYS A 28 -6.599 6.276 -15.321 1.00 0.00 C0 ATOM 420 C LYS A 28 -7.679 5.349 -15.863 1.00 0.00 C0 ATOM 421 O LYS A 28 -8.733 5.181 -15.247 1.00 0.00 O0 ATOM 422 CB LYS A 28 -6.817 7.698 -15.840 1.00 0.00 C0 ATOM 423 CG LYS A 28 -8.137 8.328 -15.414 1.00 0.00 C0 ATOM 424 CD LYS A 28 -8.241 9.769 -15.891 1.00 0.00 C0 ATOM 425 CE LYS A 28 -9.572 10.389 -15.492 1.00 0.00 C0 ATOM 426 NZ LYS A 28 -9.692 11.797 -15.961 1.00 0.00 N1+ ATOM 0 H LYS A 28 -4.718 6.462 -16.228 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.670 6.281 -14.233 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.999 8.328 -15.492 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.769 7.686 -16.929 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.967 7.748 -15.818 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.225 8.295 -14.328 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.424 10.354 -15.469 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.131 9.804 -16.975 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.387 9.797 -15.908 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.676 10.358 -14.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.613 12.183 -15.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.929 12.368 -15.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.618 11.825 -16.998 1.00 0.00 H new ATOM 440 N GLU A 29 -7.412 4.748 -17.017 1.00 0.00 N0 ATOM 441 CA GLU A 29 -8.347 3.811 -17.628 1.00 0.00 C0 ATOM 442 C GLU A 29 -8.787 2.746 -16.632 1.00 0.00 C0 ATOM 443 O GLU A 29 -9.946 2.332 -16.621 1.00 0.00 O0 ATOM 444 CB GLU A 29 -7.713 3.146 -18.852 1.00 0.00 C0 ATOM 445 CG GLU A 29 -8.636 2.196 -19.600 1.00 0.00 C0 ATOM 446 CD GLU A 29 -8.002 1.612 -20.831 1.00 0.00 C0 ATOM 447 OE1 GLU A 29 -6.876 1.946 -21.112 1.00 0.00 O0 ATOM 448 OE2 GLU A 29 -8.645 0.830 -21.493 1.00 0.00 O1- ATOM 0 H GLU A 29 -6.554 4.893 -17.549 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.226 4.374 -17.941 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.377 3.923 -19.539 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.827 2.597 -18.534 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.935 1.387 -18.933 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.544 2.728 -19.883 1.00 0.00 H new ATOM 455 N ASP A 30 -7.855 2.304 -15.794 1.00 0.00 N0 ATOM 456 CA ASP A 30 -8.110 1.201 -14.875 1.00 0.00 C0 ATOM 457 C ASP A 30 -8.551 1.711 -13.509 1.00 0.00 C0 ATOM 458 O ASP A 30 -9.368 1.085 -12.835 1.00 0.00 O0 ATOM 459 CB ASP A 30 -6.861 0.330 -14.722 1.00 0.00 C0 ATOM 460 CG ASP A 30 -6.468 -0.374 -16.014 1.00 0.00 C0 ATOM 461 OD1 ASP A 30 -7.306 -1.023 -16.593 1.00 0.00 O0 ATOM 462 OD2 ASP A 30 -5.334 -0.253 -16.410 1.00 0.00 O1- ATOM 0 H ASP A 30 -6.914 2.694 -15.733 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.916 0.601 -15.296 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.031 0.950 -14.385 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.037 -0.416 -13.947 1.00 0.00 H new ATOM 467 N ILE A 31 -8.004 2.854 -13.106 1.00 0.00 N0 ATOM 468 CA ILE A 31 -8.333 3.447 -11.816 1.00 0.00 C0 ATOM 469 C ILE A 31 -9.694 4.130 -11.854 1.00 0.00 C0 ATOM 470 O ILE A 31 -9.968 4.942 -12.738 1.00 0.00 O0 ATOM 471 CB ILE A 31 -7.260 4.465 -11.390 1.00 0.00 C0 ATOM 472 CG1 ILE A 31 -5.913 3.767 -11.183 1.00 0.00 C0 ATOM 473 CG2 ILE A 31 -7.687 5.190 -10.122 1.00 0.00 C0 ATOM 474 CD1 ILE A 31 -4.756 4.718 -10.983 1.00 0.00 C0 ATOM 0 H ILE A 31 -7.330 3.388 -13.655 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.367 2.638 -11.087 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.147 5.202 -12.185 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.985 3.110 -10.316 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.706 3.135 -12.046 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.917 5.906 -9.835 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -8.624 5.718 -10.302 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.827 4.467 -9.319 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.837 4.149 -10.843 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.656 5.359 -11.859 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.939 5.334 -10.102 1.00 0.00 H new ATOM 486 N PRO A 32 -10.546 3.797 -10.890 1.00 0.00 N0 ATOM 487 CA PRO A 32 -11.861 4.415 -10.782 1.00 0.00 C0 ATOM 488 C PRO A 32 -11.761 5.934 -10.817 1.00 0.00 C0 ATOM 489 O PRO A 32 -10.914 6.526 -10.148 1.00 0.00 O0 ATOM 490 CB PRO A 32 -12.368 3.913 -9.425 1.00 0.00 C0 ATOM 491 CG PRO A 32 -11.712 2.585 -9.259 1.00 0.00 C0 ATOM 492 CD PRO A 32 -10.329 2.776 -9.824 1.00 0.00 C0 ATOM 0 HA PRO A 32 -12.527 4.158 -11.605 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -12.095 4.596 -8.620 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -13.454 3.825 -9.413 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -11.675 2.288 -8.211 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.255 1.804 -9.792 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -9.627 3.125 -9.067 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.926 1.848 -10.229 1.00 0.00 H new ATOM 500 N SER A 33 -12.630 6.561 -11.603 1.00 0.00 N0 ATOM 501 CA SER A 33 -12.538 7.993 -11.857 1.00 0.00 C0 ATOM 502 C SER A 33 -12.738 8.793 -10.576 1.00 0.00 C0 ATOM 503 O SER A 33 -12.165 9.870 -10.410 1.00 0.00 O0 ATOM 504 CB SER A 33 -13.569 8.409 -12.888 1.00 0.00 C0 ATOM 505 OG SER A 33 -14.869 8.266 -12.384 1.00 0.00 O0 ATOM 0 H SER A 33 -13.407 6.099 -12.075 1.00 0.00 H new ATOM 0 HA SER A 33 -11.539 8.202 -12.240 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.400 9.446 -13.179 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.455 7.803 -13.787 1.00 0.00 H new ATOM 0 HG SER A 33 -15.516 8.542 -13.066 1.00 0.00 H new ATOM 511 N GLU A 34 -13.554 8.261 -9.673 1.00 0.00 N0 ATOM 512 CA GLU A 34 -13.808 8.910 -8.392 1.00 0.00 C0 ATOM 513 C GLU A 34 -12.595 8.813 -7.474 1.00 0.00 C0 ATOM 514 O GLU A 34 -12.516 9.504 -6.459 1.00 0.00 O0 ATOM 515 CB GLU A 34 -15.027 8.286 -7.710 1.00 0.00 C0 ATOM 516 CG GLU A 34 -14.873 6.808 -7.377 1.00 0.00 C0 ATOM 517 CD GLU A 34 -15.218 5.909 -8.532 1.00 0.00 C0 ATOM 518 OE1 GLU A 34 -15.135 6.354 -9.652 1.00 0.00 O0 ATOM 519 OE2 GLU A 34 -15.567 4.777 -8.295 1.00 0.00 O1- ATOM 0 H GLU A 34 -14.052 7.380 -9.805 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.007 9.964 -8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.234 8.834 -6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.895 8.412 -8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.846 6.616 -7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.513 6.563 -6.529 1.00 0.00 H new ATOM 526 N LYS A 35 -11.651 7.951 -7.840 1.00 0.00 N0 ATOM 527 CA LYS A 35 -10.410 7.812 -7.088 1.00 0.00 C0 ATOM 528 C LYS A 35 -9.275 8.578 -7.753 1.00 0.00 C0 ATOM 529 O LYS A 35 -8.314 8.979 -7.095 1.00 0.00 O0 ATOM 530 CB LYS A 35 -10.035 6.335 -6.944 1.00 0.00 C0 ATOM 531 CG LYS A 35 -11.062 5.495 -6.196 1.00 0.00 C0 ATOM 532 CD LYS A 35 -11.228 5.973 -4.761 1.00 0.00 C0 ATOM 533 CE LYS A 35 -12.193 5.086 -3.989 1.00 0.00 C0 ATOM 534 NZ LYS A 35 -12.399 5.567 -2.596 1.00 0.00 N1+ ATOM 0 H LYS A 35 -11.723 7.339 -8.653 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.571 8.235 -6.096 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.891 5.911 -7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.079 6.264 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.021 5.545 -6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.752 4.450 -6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.258 5.978 -4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.593 7.000 -4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.151 5.055 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.810 4.066 -3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.063 4.935 -2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.489 5.572 -2.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.789 6.531 -2.616 1.00 0.00 H new ATOM 548 N SER A 36 -9.391 8.779 -9.061 1.00 0.00 N0 ATOM 549 CA SER A 36 -8.385 9.519 -9.814 1.00 0.00 C0 ATOM 550 C SER A 36 -8.339 10.981 -9.385 1.00 0.00 C0 ATOM 551 O SER A 36 -7.343 11.670 -9.598 1.00 0.00 O0 ATOM 552 CB SER A 36 -8.673 9.430 -11.300 1.00 0.00 C0 ATOM 553 OG SER A 36 -9.799 10.191 -11.640 1.00 0.00 O0 ATOM 0 H SER A 36 -10.172 8.440 -9.622 1.00 0.00 H new ATOM 0 HA SER A 36 -7.414 9.070 -9.606 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.809 9.782 -11.863 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.835 8.389 -11.581 1.00 0.00 H new ATOM 0 HG SER A 36 -10.478 10.102 -10.939 1.00 0.00 H new ATOM 559 N GLU A 37 -9.426 11.447 -8.777 1.00 0.00 N0 ATOM 560 CA GLU A 37 -9.504 12.822 -8.298 1.00 0.00 C0 ATOM 561 C GLU A 37 -8.570 13.048 -7.116 1.00 0.00 C0 ATOM 562 O GLU A 37 -8.240 14.185 -6.781 1.00 0.00 O0 ATOM 563 CB GLU A 37 -10.940 13.166 -7.898 1.00 0.00 C0 ATOM 564 CG GLU A 37 -11.920 13.224 -9.062 1.00 0.00 C0 ATOM 565 CD GLU A 37 -13.317 13.574 -8.633 1.00 0.00 C0 ATOM 566 OE1 GLU A 37 -13.550 13.669 -7.452 1.00 0.00 O0 ATOM 567 OE2 GLU A 37 -14.154 13.748 -9.488 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.264 10.892 -8.605 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.192 13.476 -9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.291 12.426 -7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.942 14.130 -7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.573 13.960 -9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.932 12.259 -9.569 1.00 0.00 H new ATOM 574 N GLU A 38 -8.146 11.956 -6.486 1.00 0.00 N0 ATOM 575 CA GLU A 38 -7.293 12.035 -5.307 1.00 0.00 C0 ATOM 576 C GLU A 38 -5.837 11.764 -5.661 1.00 0.00 C0 ATOM 577 O GLU A 38 -5.002 11.557 -4.780 1.00 0.00 O0 ATOM 578 CB GLU A 38 -7.764 11.041 -4.242 1.00 0.00 C0 ATOM 579 CG GLU A 38 -9.157 11.317 -3.696 1.00 0.00 C0 ATOM 580 CD GLU A 38 -9.564 10.352 -2.617 1.00 0.00 C0 ATOM 581 OE1 GLU A 38 -8.805 9.459 -2.328 1.00 0.00 O0 ATOM 582 OE2 GLU A 38 -10.636 10.509 -2.082 1.00 0.00 O1- ATOM 0 H GLU A 38 -8.380 11.006 -6.774 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.366 13.047 -4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.746 10.037 -4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.054 11.050 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.192 12.332 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.878 11.267 -4.512 1.00 0.00 H new ATOM 589 N ILE A 39 -5.538 11.767 -6.955 1.00 0.00 N0 ATOM 590 CA ILE A 39 -4.175 11.552 -7.427 1.00 0.00 C0 ATOM 591 C ILE A 39 -3.488 12.872 -7.749 1.00 0.00 C0 ATOM 592 O ILE A 39 -3.934 13.617 -8.622 1.00 0.00 O0 ATOM 593 CB ILE A 39 -4.161 10.647 -8.672 1.00 0.00 C0 ATOM 594 CG1 ILE A 39 -4.716 9.262 -8.332 1.00 0.00 C0 ATOM 595 CG2 ILE A 39 -2.753 10.537 -9.234 1.00 0.00 C0 ATOM 596 CD1 ILE A 39 -4.833 8.341 -9.526 1.00 0.00 C0 ATOM 0 H ILE A 39 -6.222 11.916 -7.697 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.628 11.060 -6.623 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.799 11.095 -9.433 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.071 8.796 -7.587 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.699 9.377 -7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.762 9.894 -10.114 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.394 11.528 -9.513 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.092 10.111 -8.479 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.233 7.379 -9.206 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.502 8.785 -10.264 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.849 8.194 -9.970 1.00 0.00 H new ATOM 608 N THR A 40 -2.401 13.157 -7.040 1.00 0.00 N0 ATOM 609 CA THR A 40 -1.624 14.367 -7.281 1.00 0.00 C0 ATOM 610 C THR A 40 -0.159 14.039 -7.534 1.00 0.00 C0 ATOM 611 O THR A 40 0.593 14.866 -8.052 1.00 0.00 O0 ATOM 612 CB THR A 40 -1.739 15.345 -6.098 1.00 0.00 C0 ATOM 613 OG1 THR A 40 -1.208 14.733 -4.915 1.00 0.00 O0 ATOM 614 CG2 THR A 40 -3.192 15.724 -5.858 1.00 0.00 C0 ATOM 0 H THR A 40 -2.038 12.565 -6.293 1.00 0.00 H new ATOM 0 HA THR A 40 -2.035 14.842 -8.171 1.00 0.00 H new ATOM 0 HB THR A 40 -1.173 16.246 -6.335 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.280 15.357 -4.163 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.254 16.416 -5.018 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.596 16.201 -6.751 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.769 14.827 -5.633 1.00 0.00 H new ATOM 622 N THR A 41 0.243 12.827 -7.166 1.00 0.00 N0 ATOM 623 CA THR A 41 1.639 12.418 -7.272 1.00 0.00 C0 ATOM 624 C THR A 41 1.771 11.103 -8.029 1.00 0.00 C0 ATOM 625 O THR A 41 0.776 10.434 -8.310 1.00 0.00 O0 ATOM 626 CB THR A 41 2.283 12.281 -5.881 1.00 0.00 C0 ATOM 627 OG1 THR A 41 1.660 11.207 -5.165 1.00 0.00 O0 ATOM 628 CG2 THR A 41 2.124 13.570 -5.090 1.00 0.00 C0 ATOM 0 H THR A 41 -0.379 12.110 -6.791 1.00 0.00 H new ATOM 0 HA THR A 41 2.162 13.196 -7.827 1.00 0.00 H new ATOM 0 HB THR A 41 3.345 12.073 -6.010 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.348 10.592 -4.834 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.585 13.454 -4.109 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.608 14.387 -5.625 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.064 13.794 -4.968 1.00 0.00 H new ATOM 636 N GLY A 42 3.006 10.736 -8.356 1.00 0.00 N0 ATOM 637 CA GLY A 42 3.283 9.444 -8.972 1.00 0.00 C0 ATOM 638 C GLY A 42 3.051 8.304 -7.988 1.00 0.00 C0 ATOM 639 O GLY A 42 2.653 7.205 -8.378 1.00 0.00 O0 ATOM 0 H GLY A 42 3.831 11.316 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.644 9.310 -9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.314 9.420 -9.324 1.00 0.00 H new ATOM 643 N SER A 43 3.300 8.571 -6.711 1.00 0.00 N0 ATOM 644 CA SER A 43 3.040 7.595 -5.659 1.00 0.00 C0 ATOM 645 C SER A 43 1.547 7.352 -5.489 1.00 0.00 C0 ATOM 646 O SER A 43 1.124 6.255 -5.122 1.00 0.00 O0 ATOM 647 CB SER A 43 3.637 8.070 -4.347 1.00 0.00 C0 ATOM 648 OG SER A 43 2.973 9.212 -3.879 1.00 0.00 O0 ATOM 0 H SER A 43 3.682 9.456 -6.379 1.00 0.00 H new ATOM 0 HA SER A 43 3.508 6.655 -5.950 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.570 7.275 -3.604 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.696 8.290 -4.483 1.00 0.00 H new ATOM 0 HG SER A 43 3.374 9.499 -3.032 1.00 0.00 H new ATOM 654 N ALA A 44 0.750 8.381 -5.759 1.00 0.00 N0 ATOM 655 CA ALA A 44 -0.701 8.253 -5.733 1.00 0.00 C0 ATOM 656 C ALA A 44 -1.195 7.350 -6.856 1.00 0.00 C0 ATOM 657 O ALA A 44 -2.048 6.489 -6.643 1.00 0.00 O0 ATOM 658 CB ALA A 44 -1.355 9.624 -5.831 1.00 0.00 C0 ATOM 0 H ALA A 44 1.086 9.314 -5.999 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.981 7.795 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.439 9.512 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.038 10.240 -4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.057 10.103 -6.764 1.00 0.00 H new ATOM 664 N TRP A 45 -0.653 7.552 -8.052 1.00 0.00 N0 ATOM 665 CA TRP A 45 -0.925 6.663 -9.176 1.00 0.00 C0 ATOM 666 C TRP A 45 -0.704 5.206 -8.792 1.00 0.00 C0 ATOM 667 O TRP A 45 -1.586 4.366 -8.971 1.00 0.00 O0 ATOM 668 CB TRP A 45 -0.033 7.022 -10.367 1.00 0.00 C0 ATOM 669 CG TRP A 45 -0.524 8.203 -11.147 1.00 0.00 C0 ATOM 670 CD1 TRP A 45 0.061 9.431 -11.222 1.00 0.00 C0 ATOM 671 CD2 TRP A 45 -1.711 8.274 -11.975 1.00 0.00 C0 ATOM 672 NE1 TRP A 45 -0.676 10.258 -12.032 1.00 0.00 N0 ATOM 673 CE2 TRP A 45 -1.763 9.566 -12.504 1.00 0.00 C0 ATOM 674 CE3 TRP A 45 -2.718 7.357 -12.304 1.00 0.00 C0 ATOM 675 CZ2 TRP A 45 -2.785 9.973 -13.345 1.00 0.00 C0 ATOM 676 CZ3 TRP A 45 -3.741 7.765 -13.150 1.00 0.00 C0 ATOM 677 CH2 TRP A 45 -3.774 9.040 -13.658 1.00 0.00 C0 ATOM 0 H TRP A 45 -0.022 8.324 -8.268 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.971 6.792 -9.456 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.975 7.228 -10.007 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.036 6.161 -11.032 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.973 9.713 -10.717 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -0.452 11.229 -12.248 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.699 6.353 -11.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -2.815 10.976 -13.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -4.523 7.068 -13.412 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -4.583 9.327 -14.314 1.00 0.00 H new ATOM 688 N PHE A 46 0.480 4.911 -8.264 1.00 0.00 N0 ATOM 689 CA PHE A 46 0.800 3.566 -7.804 1.00 0.00 C0 ATOM 690 C PHE A 46 -0.173 3.107 -6.725 1.00 0.00 C0 ATOM 691 O PHE A 46 -0.708 2.000 -6.788 1.00 0.00 O0 ATOM 692 CB PHE A 46 2.230 3.512 -7.264 1.00 0.00 C0 ATOM 693 CG PHE A 46 2.555 2.239 -6.533 1.00 0.00 C0 ATOM 694 CD1 PHE A 46 2.832 1.074 -7.231 1.00 0.00 C0 ATOM 695 CD2 PHE A 46 2.582 2.206 -5.147 1.00 0.00 C0 ATOM 696 CE1 PHE A 46 3.131 -0.097 -6.560 1.00 0.00 C0 ATOM 697 CE2 PHE A 46 2.882 1.038 -4.474 1.00 0.00 C0 ATOM 698 CZ PHE A 46 3.155 -0.116 -5.182 1.00 0.00 C0 ATOM 0 H PHE A 46 1.234 5.587 -8.144 1.00 0.00 H new ATOM 0 HA PHE A 46 0.712 2.894 -8.658 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.927 3.631 -8.094 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.387 4.356 -6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.814 1.081 -8.311 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.366 3.104 -4.587 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.346 -0.998 -7.116 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.903 1.027 -3.394 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.387 -1.031 -4.657 1.00 0.00 H new ATOM 708 N SER A 47 -0.398 3.963 -5.735 1.00 0.00 N0 ATOM 709 CA SER A 47 -1.198 3.599 -4.572 1.00 0.00 C0 ATOM 710 C SER A 47 -2.532 2.994 -4.989 1.00 0.00 C0 ATOM 711 O SER A 47 -2.967 1.984 -4.437 1.00 0.00 O0 ATOM 712 CB SER A 47 -1.435 4.815 -3.698 1.00 0.00 C0 ATOM 713 OG SER A 47 -0.238 5.263 -3.125 1.00 0.00 O0 ATOM 0 H SER A 47 -0.036 4.917 -5.715 1.00 0.00 H new ATOM 0 HA SER A 47 -0.645 2.850 -4.005 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.879 5.614 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.149 4.569 -2.912 1.00 0.00 H new ATOM 0 HG SER A 47 0.365 5.578 -3.831 1.00 0.00 H new ATOM 719 N PHE A 48 -3.178 3.618 -5.968 1.00 0.00 N0 ATOM 720 CA PHE A 48 -4.505 3.195 -6.402 1.00 0.00 C0 ATOM 721 C PHE A 48 -4.422 1.990 -7.330 1.00 0.00 C0 ATOM 722 O PHE A 48 -5.325 1.154 -7.361 1.00 0.00 O0 ATOM 723 CB PHE A 48 -5.225 4.342 -7.113 1.00 0.00 C0 ATOM 724 CG PHE A 48 -5.740 5.403 -6.182 1.00 0.00 C0 ATOM 725 CD1 PHE A 48 -5.189 6.675 -6.184 1.00 0.00 C0 ATOM 726 CD2 PHE A 48 -6.777 5.131 -5.301 1.00 0.00 C0 ATOM 727 CE1 PHE A 48 -5.661 7.652 -5.328 1.00 0.00 C0 ATOM 728 CE2 PHE A 48 -7.252 6.105 -4.446 1.00 0.00 C0 ATOM 729 CZ PHE A 48 -6.693 7.368 -4.460 1.00 0.00 C0 ATOM 0 H PHE A 48 -2.804 4.419 -6.477 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.069 2.911 -5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.542 4.800 -7.828 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.060 3.936 -7.684 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.381 6.905 -6.863 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.218 4.145 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.221 8.638 -5.339 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.060 5.880 -3.766 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.064 8.131 -3.792 1.00 0.00 H new ATOM 739 N LEU A 49 -3.332 1.905 -8.085 1.00 0.00 N0 ATOM 740 CA LEU A 49 -3.048 0.722 -8.891 1.00 0.00 C0 ATOM 741 C LEU A 49 -2.848 -0.506 -8.014 1.00 0.00 C0 ATOM 742 O LEU A 49 -3.279 -1.606 -8.361 1.00 0.00 O0 ATOM 743 CB LEU A 49 -1.798 0.954 -9.750 1.00 0.00 C0 ATOM 744 CG LEU A 49 -1.963 1.944 -10.910 1.00 0.00 C0 ATOM 745 CD1 LEU A 49 -0.604 2.223 -11.537 1.00 0.00 C0 ATOM 746 CD2 LEU A 49 -2.930 1.370 -11.935 1.00 0.00 C0 ATOM 0 H LEU A 49 -2.630 2.641 -8.156 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.906 0.545 -9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.996 1.311 -9.103 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.476 -0.005 -10.157 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.372 2.885 -10.541 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.721 2.926 -12.361 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.062 2.650 -10.787 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.178 1.292 -11.912 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.047 2.074 -12.759 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.539 0.427 -12.316 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.898 1.198 -11.465 1.00 0.00 H new ATOM 758 N GLU A 50 -2.191 -0.314 -6.875 1.00 0.00 N0 ATOM 759 CA GLU A 50 -2.005 -1.387 -5.906 1.00 0.00 C0 ATOM 760 C GLU A 50 -3.296 -1.678 -5.151 1.00 0.00 C0 ATOM 761 O GLU A 50 -3.704 -2.833 -5.019 1.00 0.00 O0 ATOM 762 CB GLU A 50 -0.895 -1.028 -4.917 1.00 0.00 C0 ATOM 763 CG GLU A 50 -0.565 -2.125 -3.915 1.00 0.00 C0 ATOM 764 CD GLU A 50 0.563 -1.755 -2.993 1.00 0.00 C0 ATOM 765 OE1 GLU A 50 0.492 -0.714 -2.385 1.00 0.00 O0 ATOM 766 OE2 GLU A 50 1.497 -2.516 -2.894 1.00 0.00 O1- ATOM 0 H GLU A 50 -1.778 0.577 -6.600 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.718 -2.284 -6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.007 -0.781 -5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.188 -0.131 -4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.453 -2.349 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.303 -3.036 -4.454 1.00 0.00 H new ATOM 773 N SER A 51 -3.938 -0.624 -4.657 1.00 0.00 N0 ATOM 774 CA SER A 51 -5.100 -0.771 -3.790 1.00 0.00 C0 ATOM 775 C SER A 51 -6.237 -1.485 -4.510 1.00 0.00 C0 ATOM 776 O SER A 51 -6.928 -2.320 -3.926 1.00 0.00 O0 ATOM 777 CB SER A 51 -5.568 0.589 -3.309 1.00 0.00 C0 ATOM 778 OG SER A 51 -4.604 1.190 -2.489 1.00 0.00 O0 ATOM 0 H SER A 51 -3.672 0.343 -4.843 1.00 0.00 H new ATOM 0 HA SER A 51 -4.806 -1.376 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.773 1.231 -4.166 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.503 0.482 -2.759 1.00 0.00 H new ATOM 0 HG SER A 51 -4.039 1.782 -3.028 1.00 0.00 H new ATOM 784 N HIS A 52 -6.427 -1.151 -5.782 1.00 0.00 N0 ATOM 785 CA HIS A 52 -7.547 -1.677 -6.553 1.00 0.00 C0 ATOM 786 C HIS A 52 -7.113 -2.846 -7.429 1.00 0.00 C0 ATOM 787 O HIS A 52 -7.864 -3.300 -8.291 1.00 0.00 O0 ATOM 788 CB HIS A 52 -8.166 -0.580 -7.425 1.00 0.00 C0 ATOM 789 CG HIS A 52 -8.780 0.538 -6.642 1.00 0.00 C0 ATOM 790 ND1 HIS A 52 -9.942 0.387 -5.915 1.00 0.00 N0 ATOM 791 CD2 HIS A 52 -8.394 1.824 -6.471 1.00 0.00 C0 ATOM 792 CE1 HIS A 52 -10.244 1.532 -5.330 1.00 0.00 C0 ATOM 793 NE2 HIS A 52 -9.321 2.420 -5.652 1.00 0.00 N0 ATOM 0 H HIS A 52 -5.819 -0.518 -6.301 1.00 0.00 H new ATOM 0 HA HIS A 52 -8.294 -2.034 -5.844 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.397 -0.172 -8.081 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -8.928 -1.024 -8.065 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -10.484 -0.474 -5.841 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.520 2.293 -6.899 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -11.100 1.712 -4.696 1.00 0.00 H new ATOM 801 N ASN A 53 -5.896 -3.327 -7.202 1.00 0.00 N0 ATOM 802 CA ASN A 53 -5.362 -4.449 -7.964 1.00 0.00 C0 ATOM 803 C ASN A 53 -5.403 -4.167 -9.461 1.00 0.00 C0 ATOM 804 O ASN A 53 -5.734 -5.044 -10.259 1.00 0.00 O0 ATOM 805 CB ASN A 53 -6.118 -5.724 -7.640 1.00 0.00 C0 ATOM 806 CG ASN A 53 -5.958 -6.143 -6.205 1.00 0.00 C0 ATOM 807 OD1 ASN A 53 -4.852 -6.097 -5.653 1.00 0.00 O0 ATOM 808 ND2 ASN A 53 -7.039 -6.549 -5.591 1.00 0.00 N0 ATOM 0 H ASN A 53 -5.260 -2.957 -6.496 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.319 -4.583 -7.676 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.176 -5.579 -7.856 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.767 -6.525 -8.290 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.991 -6.845 -4.616 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.930 -6.570 -6.087 1.00 0.00 H new ATOM 815 N LYS A 54 -5.066 -2.937 -9.835 1.00 0.00 N0 ATOM 816 CA LYS A 54 -5.056 -2.540 -11.239 1.00 0.00 C0 ATOM 817 C LYS A 54 -3.633 -2.460 -11.777 1.00 0.00 C0 ATOM 818 O LYS A 54 -3.423 -2.243 -12.971 1.00 0.00 O0 ATOM 819 CB LYS A 54 -5.763 -1.196 -11.419 1.00 0.00 C0 ATOM 820 CG LYS A 54 -7.217 -1.185 -10.966 1.00 0.00 C0 ATOM 821 CD LYS A 54 -8.051 -2.180 -11.759 1.00 0.00 C0 ATOM 822 CE LYS A 54 -9.518 -2.116 -11.360 1.00 0.00 C0 ATOM 823 NZ LYS A 54 -10.339 -3.113 -12.100 1.00 0.00 N1+ ATOM 0 H LYS A 54 -4.796 -2.198 -9.186 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.592 -3.301 -11.806 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.216 -0.434 -10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.721 -0.915 -12.471 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.271 -1.426 -9.904 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.630 -0.184 -11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.953 -1.972 -12.824 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.671 -3.188 -11.595 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.611 -2.293 -10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.903 -1.115 -11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.332 -3.037 -11.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.271 -2.929 -13.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.988 -4.071 -11.897 1.00 0.00 H new ATOM 837 N LEU A 55 -2.659 -2.636 -10.891 1.00 0.00 N0 ATOM 838 CA LEU A 55 -1.254 -2.572 -11.274 1.00 0.00 C0 ATOM 839 C LEU A 55 -0.872 -3.750 -12.162 1.00 0.00 C0 ATOM 840 O LEU A 55 -0.534 -4.827 -11.670 1.00 0.00 O0 ATOM 841 CB LEU A 55 -0.364 -2.556 -10.024 1.00 0.00 C0 ATOM 842 CG LEU A 55 1.141 -2.405 -10.282 1.00 0.00 C0 ATOM 843 CD1 LEU A 55 1.413 -1.052 -10.926 1.00 0.00 C0 ATOM 844 CD2 LEU A 55 1.897 -2.549 -8.970 1.00 0.00 C0 ATOM 0 H LEU A 55 -2.817 -2.824 -9.901 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.102 -1.652 -11.838 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.688 -1.738 -9.380 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.528 -3.481 -9.471 1.00 0.00 H new ATOM 0 HG LEU A 55 1.483 -3.184 -10.963 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.482 -0.945 -11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.874 -0.984 -11.871 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.078 -0.258 -10.259 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.966 -2.442 -9.153 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.569 -1.777 -8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.699 -3.532 -8.542 1.00 0.00 H new ATOM 856 N ASP A 56 -0.925 -3.538 -13.472 1.00 0.00 N0 ATOM 857 CA ASP A 56 -0.498 -4.551 -14.431 1.00 0.00 C0 ATOM 858 C ASP A 56 -0.005 -3.914 -15.723 1.00 0.00 C0 ATOM 859 O ASP A 56 -0.110 -2.702 -15.908 1.00 0.00 O0 ATOM 860 CB ASP A 56 -1.645 -5.518 -14.736 1.00 0.00 C0 ATOM 861 CG ASP A 56 -1.160 -6.909 -15.118 1.00 0.00 C0 ATOM 862 OD1 ASP A 56 -0.001 -7.050 -15.429 1.00 0.00 O0 ATOM 863 OD2 ASP A 56 -1.954 -7.820 -15.096 1.00 0.00 O1- ATOM 0 H ASP A 56 -1.260 -2.672 -13.895 1.00 0.00 H new ATOM 0 HA ASP A 56 0.327 -5.104 -13.982 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.293 -5.592 -13.863 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.249 -5.113 -15.548 1.00 0.00 H new ATOM 868 N LYS A 57 0.534 -4.737 -16.615 1.00 0.00 N0 ATOM 869 CA LYS A 57 1.081 -4.251 -17.876 1.00 0.00 C0 ATOM 870 C LYS A 57 -0.012 -3.670 -18.763 1.00 0.00 C0 ATOM 871 O LYS A 57 -1.127 -4.190 -18.812 1.00 0.00 O0 ATOM 872 CB LYS A 57 1.815 -5.374 -18.611 1.00 0.00 C0 ATOM 873 CG LYS A 57 3.090 -5.846 -17.926 1.00 0.00 C0 ATOM 874 CD LYS A 57 3.791 -6.921 -18.744 1.00 0.00 C0 ATOM 875 CE LYS A 57 5.068 -7.390 -18.064 1.00 0.00 C0 ATOM 876 NZ LYS A 57 5.769 -8.436 -18.857 1.00 0.00 N1+ ATOM 0 H LYS A 57 0.604 -5.747 -16.488 1.00 0.00 H new ATOM 0 HA LYS A 57 1.791 -3.457 -17.647 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.140 -6.223 -18.719 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.062 -5.033 -19.616 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.762 -5.000 -17.781 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.851 -6.237 -16.937 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.120 -7.768 -18.886 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.026 -6.531 -19.734 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.734 -6.540 -17.917 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.829 -7.783 -17.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.634 -8.728 -18.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.144 -9.258 -18.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.020 -8.054 -19.791 1.00 0.00 H new ATOM 890 N ASP A 58 0.313 -2.590 -19.465 1.00 0.00 N0 ATOM 891 CA ASP A 58 1.675 -2.071 -19.484 1.00 0.00 C0 ATOM 892 C ASP A 58 1.870 -0.993 -18.426 1.00 0.00 C0 ATOM 893 O ASP A 58 2.938 -0.388 -18.331 1.00 0.00 O0 ATOM 894 CB ASP A 58 2.014 -1.504 -20.865 1.00 0.00 C0 ATOM 895 CG ASP A 58 2.059 -2.572 -21.950 1.00 0.00 C0 ATOM 896 OD1 ASP A 58 2.363 -3.698 -21.634 1.00 0.00 O0 ATOM 897 OD2 ASP A 58 1.787 -2.253 -23.083 1.00 0.00 O1- ATOM 0 H ASP A 58 -0.349 -2.057 -20.029 1.00 0.00 H new ATOM 0 HA ASP A 58 2.347 -2.900 -19.261 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.274 -0.751 -21.134 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.979 -1.000 -20.818 1.00 0.00 H new ATOM 902 N ASN A 59 0.832 -0.759 -17.629 1.00 0.00 N0 ATOM 903 CA ASN A 59 0.841 0.330 -16.660 1.00 0.00 C0 ATOM 904 C ASN A 59 1.885 0.094 -15.576 1.00 0.00 C0 ATOM 905 O ASN A 59 2.432 1.040 -15.009 1.00 0.00 O0 ATOM 906 CB ASN A 59 -0.534 0.510 -16.046 1.00 0.00 C0 ATOM 907 CG ASN A 59 -1.512 1.144 -16.996 1.00 0.00 C0 ATOM 908 OD1 ASN A 59 -1.120 1.867 -17.920 1.00 0.00 O0 ATOM 909 ND2 ASN A 59 -2.779 0.888 -16.787 1.00 0.00 N0 ATOM 0 H ASN A 59 -0.026 -1.310 -17.636 1.00 0.00 H new ATOM 0 HA ASN A 59 1.107 1.246 -17.188 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.917 -0.460 -15.730 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.451 1.127 -15.151 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.488 1.291 -17.399 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.057 0.286 -16.012 1.00 0.00 H new ATOM 916 N LEU A 60 2.158 -1.176 -15.292 1.00 0.00 N0 ATOM 917 CA LEU A 60 3.239 -1.542 -14.384 1.00 0.00 C0 ATOM 918 C LEU A 60 4.575 -0.994 -14.868 1.00 0.00 C0 ATOM 919 O LEU A 60 5.323 -0.388 -14.101 1.00 0.00 O0 ATOM 920 CB LEU A 60 3.323 -3.067 -14.249 1.00 0.00 C0 ATOM 921 CG LEU A 60 4.489 -3.597 -13.404 1.00 0.00 C0 ATOM 922 CD1 LEU A 60 4.368 -3.064 -11.982 1.00 0.00 C0 ATOM 923 CD2 LEU A 60 4.478 -5.119 -13.420 1.00 0.00 C0 ATOM 0 H LEU A 60 1.645 -1.969 -15.678 1.00 0.00 H new ATOM 0 HA LEU A 60 3.021 -1.103 -13.410 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.390 -3.427 -13.814 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.396 -3.498 -15.247 1.00 0.00 H new ATOM 0 HG LEU A 60 5.437 -3.256 -13.821 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.196 -3.440 -11.381 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.397 -1.974 -11.998 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.425 -3.396 -11.548 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.306 -5.495 -12.820 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.537 -5.480 -13.006 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.583 -5.473 -14.446 1.00 0.00 H new ATOM 935 N SER A 61 4.870 -1.211 -16.146 1.00 0.00 N0 ATOM 936 CA SER A 61 6.123 -0.751 -16.731 1.00 0.00 C0 ATOM 937 C SER A 61 6.132 0.764 -16.892 1.00 0.00 C0 ATOM 938 O SER A 61 7.193 1.388 -16.926 1.00 0.00 O0 ATOM 939 CB SER A 61 6.344 -1.413 -18.077 1.00 0.00 C0 ATOM 940 OG SER A 61 5.413 -0.956 -19.021 1.00 0.00 O0 ATOM 0 H SER A 61 4.257 -1.703 -16.796 1.00 0.00 H new ATOM 0 HA SER A 61 6.932 -1.028 -16.055 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.355 -1.204 -18.427 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.260 -2.495 -17.972 1.00 0.00 H new ATOM 0 HG SER A 61 4.514 -0.982 -18.633 1.00 0.00 H new ATOM 946 N TYR A 62 4.944 1.350 -16.993 1.00 0.00 N0 ATOM 947 CA TYR A 62 4.812 2.796 -17.126 1.00 0.00 C0 ATOM 948 C TYR A 62 5.178 3.505 -15.829 1.00 0.00 C0 ATOM 949 O TYR A 62 6.029 4.394 -15.814 1.00 0.00 O0 ATOM 950 CB TYR A 62 3.390 3.167 -17.551 1.00 0.00 C0 ATOM 951 CG TYR A 62 3.042 2.740 -18.961 1.00 0.00 C0 ATOM 952 CD1 TYR A 62 4.041 2.308 -19.820 1.00 0.00 C0 ATOM 953 CD2 TYR A 62 1.725 2.781 -19.392 1.00 0.00 C0 ATOM 954 CE1 TYR A 62 3.724 1.919 -21.107 1.00 0.00 C0 ATOM 955 CE2 TYR A 62 1.408 2.390 -20.678 1.00 0.00 C0 ATOM 956 CZ TYR A 62 2.402 1.960 -21.534 1.00 0.00 C0 ATOM 957 OH TYR A 62 2.086 1.573 -22.816 1.00 0.00 O0 ATOM 0 H TYR A 62 4.058 0.845 -16.985 1.00 0.00 H new ATOM 0 HA TYR A 62 5.507 3.125 -17.898 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.683 2.710 -16.858 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.266 4.247 -17.467 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.067 2.276 -19.483 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.948 3.118 -18.723 1.00 0.00 H new ATOM 0 HE1 TYR A 62 4.500 1.584 -21.779 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.382 2.421 -21.014 1.00 0.00 H new ATOM 0 HH TYR A 62 1.120 1.660 -22.955 1.00 0.00 H new ATOM 967 N ILE A 63 4.528 3.107 -14.740 1.00 0.00 N0 ATOM 968 CA ILE A 63 4.796 3.691 -13.431 1.00 0.00 C0 ATOM 969 C ILE A 63 6.193 3.330 -12.942 1.00 0.00 C0 ATOM 970 O ILE A 63 6.805 4.075 -12.177 1.00 0.00 O0 ATOM 971 CB ILE A 63 3.754 3.226 -12.398 1.00 0.00 C0 ATOM 972 CG1 ILE A 63 3.805 4.113 -11.151 1.00 0.00 C0 ATOM 973 CG2 ILE A 63 3.986 1.769 -12.028 1.00 0.00 C0 ATOM 974 CD1 ILE A 63 3.413 5.551 -11.408 1.00 0.00 C0 ATOM 0 H ILE A 63 3.811 2.381 -14.738 1.00 0.00 H new ATOM 0 HA ILE A 63 4.731 4.774 -13.540 1.00 0.00 H new ATOM 0 HB ILE A 63 2.763 3.314 -12.842 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.143 3.696 -10.392 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.815 4.089 -10.741 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.241 1.456 -11.297 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.901 1.149 -12.920 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.983 1.656 -11.601 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.474 6.116 -10.478 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.090 5.987 -12.143 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.392 5.587 -11.789 1.00 0.00 H new ATOM 986 N GLU A 64 6.692 2.183 -13.388 1.00 0.00 N0 ATOM 987 CA GLU A 64 8.066 1.784 -13.108 1.00 0.00 C0 ATOM 988 C GLU A 64 9.059 2.781 -13.691 1.00 0.00 C0 ATOM 989 O GLU A 64 9.961 3.251 -12.997 1.00 0.00 O0 ATOM 990 CB GLU A 64 8.342 0.387 -13.668 1.00 0.00 C0 ATOM 991 CG GLU A 64 9.746 -0.134 -13.396 1.00 0.00 C0 ATOM 992 CD GLU A 64 10.009 -1.468 -14.037 1.00 0.00 C0 ATOM 993 OE1 GLU A 64 9.149 -1.952 -14.734 1.00 0.00 O0 ATOM 994 OE2 GLU A 64 11.073 -2.004 -13.831 1.00 0.00 O1- ATOM 0 H GLU A 64 6.164 1.512 -13.946 1.00 0.00 H new ATOM 0 HA GLU A 64 8.193 1.766 -12.026 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.620 -0.311 -13.243 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.175 0.401 -14.745 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.474 0.590 -13.763 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.895 -0.218 -12.319 1.00 0.00 H new ATOM 1001 N HIS A 65 8.888 3.100 -14.969 1.00 0.00 N0 ATOM 1002 CA HIS A 65 9.753 4.063 -15.640 1.00 0.00 C0 ATOM 1003 C HIS A 65 9.662 5.436 -14.986 1.00 0.00 C0 ATOM 1004 O HIS A 65 10.664 6.136 -14.847 1.00 0.00 O0 ATOM 1005 CB HIS A 65 9.390 4.173 -17.125 1.00 0.00 C0 ATOM 1006 CG HIS A 65 10.266 5.116 -17.890 1.00 0.00 C0 ATOM 1007 ND1 HIS A 65 11.639 4.992 -17.924 1.00 0.00 N0 ATOM 1008 CD2 HIS A 65 9.965 6.196 -18.648 1.00 0.00 C0 ATOM 1009 CE1 HIS A 65 12.145 5.958 -18.672 1.00 0.00 C0 ATOM 1010 NE2 HIS A 65 11.151 6.700 -19.123 1.00 0.00 N0 ATOM 0 H HIS A 65 8.158 2.705 -15.562 1.00 0.00 H new ATOM 0 HA HIS A 65 10.778 3.703 -15.549 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.452 3.184 -17.579 1.00 0.00 H new ATOM 0 HB3 HIS A 65 8.354 4.500 -17.214 1.00 0.00 H new ATOM 0 HD1 HIS A 65 12.179 4.270 -17.448 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.978 6.588 -18.843 1.00 0.00 H new ATOM 0 HE1 HIS A 65 13.194 6.113 -18.879 1.00 0.00 H new ATOM 1018 N ILE A 66 8.453 5.815 -14.586 1.00 0.00 N0 ATOM 1019 CA ILE A 66 8.243 7.063 -13.861 1.00 0.00 C0 ATOM 1020 C ILE A 66 9.023 7.079 -12.553 1.00 0.00 C0 ATOM 1021 O ILE A 66 9.632 8.086 -12.194 1.00 0.00 O0 ATOM 1022 CB ILE A 66 6.747 7.284 -13.571 1.00 0.00 C0 ATOM 1023 CG1 ILE A 66 5.989 7.578 -14.868 1.00 0.00 C0 ATOM 1024 CG2 ILE A 66 6.561 8.417 -12.574 1.00 0.00 C0 ATOM 1025 CD1 ILE A 66 4.485 7.541 -14.719 1.00 0.00 C0 ATOM 0 H ILE A 66 7.603 5.276 -14.752 1.00 0.00 H new ATOM 0 HA ILE A 66 8.607 7.872 -14.495 1.00 0.00 H new ATOM 0 HB ILE A 66 6.340 6.372 -13.134 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.284 8.561 -15.235 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.288 6.852 -15.625 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.498 8.560 -12.380 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.070 8.169 -11.642 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.982 9.335 -12.984 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.019 7.759 -15.680 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.177 6.551 -14.382 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.173 8.286 -13.987 1.00 0.00 H new ATOM 1037 N PHE A 67 9.000 5.955 -11.843 1.00 0.00 N0 ATOM 1038 CA PHE A 67 9.740 5.823 -10.594 1.00 0.00 C0 ATOM 1039 C PHE A 67 11.242 5.768 -10.847 1.00 0.00 C0 ATOM 1040 O PHE A 67 12.035 6.249 -10.037 1.00 0.00 O0 ATOM 1041 CB PHE A 67 9.298 4.567 -9.841 1.00 0.00 C0 ATOM 1042 CG PHE A 67 7.940 4.686 -9.210 1.00 0.00 C0 ATOM 1043 CD1 PHE A 67 7.375 5.931 -8.974 1.00 0.00 C0 ATOM 1044 CD2 PHE A 67 7.225 3.554 -8.850 1.00 0.00 C0 ATOM 1045 CE1 PHE A 67 6.126 6.041 -8.394 1.00 0.00 C0 ATOM 1046 CE2 PHE A 67 5.976 3.661 -8.271 1.00 0.00 C0 ATOM 1047 CZ PHE A 67 5.425 4.907 -8.042 1.00 0.00 C0 ATOM 0 H PHE A 67 8.476 5.122 -12.112 1.00 0.00 H new ATOM 0 HA PHE A 67 9.524 6.701 -9.986 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.295 3.723 -10.531 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.030 4.343 -9.066 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.918 6.824 -9.247 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.650 2.577 -9.025 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.698 7.017 -8.216 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.430 2.770 -7.997 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.448 4.993 -7.589 1.00 0.00 H new ATOM 1057 N GLU A 68 11.626 5.179 -11.973 1.00 0.00 N0 ATOM 1058 CA GLU A 68 13.005 5.243 -12.439 1.00 0.00 C0 ATOM 1059 C GLU A 68 13.452 6.685 -12.644 1.00 0.00 C0 ATOM 1060 O GLU A 68 14.538 7.075 -12.215 1.00 0.00 O0 ATOM 1061 CB GLU A 68 13.164 4.459 -13.745 1.00 0.00 C0 ATOM 1062 CG GLU A 68 14.579 4.454 -14.307 1.00 0.00 C0 ATOM 1063 CD GLU A 68 14.677 3.763 -15.638 1.00 0.00 C0 ATOM 1064 OE1 GLU A 68 13.656 3.512 -16.232 1.00 0.00 O0 ATOM 1065 OE2 GLU A 68 15.775 3.489 -16.064 1.00 0.00 O1- ATOM 0 H GLU A 68 11.000 4.651 -12.581 1.00 0.00 H new ATOM 0 HA GLU A 68 13.636 4.794 -11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.849 3.429 -13.577 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.491 4.880 -14.492 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.927 5.482 -14.410 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.245 3.962 -13.598 1.00 0.00 H new ATOM 1072 N ILE A 69 12.608 7.472 -13.301 1.00 0.00 N0 ATOM 1073 CA ILE A 69 12.877 8.892 -13.496 1.00 0.00 C0 ATOM 1074 C ILE A 69 12.945 9.627 -12.163 1.00 0.00 C0 ATOM 1075 O ILE A 69 13.791 10.499 -11.966 1.00 0.00 O0 ATOM 1076 CB ILE A 69 11.802 9.539 -14.387 1.00 0.00 C0 ATOM 1077 CG1 ILE A 69 11.910 9.014 -15.821 1.00 0.00 C0 ATOM 1078 CG2 ILE A 69 11.929 11.054 -14.360 1.00 0.00 C0 ATOM 1079 CD1 ILE A 69 10.735 9.385 -16.697 1.00 0.00 C0 ATOM 0 H ILE A 69 11.730 7.150 -13.708 1.00 0.00 H new ATOM 0 HA ILE A 69 13.844 8.974 -13.992 1.00 0.00 H new ATOM 0 HB ILE A 69 10.821 9.271 -13.996 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.824 9.401 -16.272 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.003 7.928 -15.794 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.161 11.495 -14.996 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.803 11.411 -13.338 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.914 11.343 -14.727 1.00 0.00 H new ATOM 0 HD11 ILE A 69 10.884 8.978 -17.697 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.820 8.975 -16.271 1.00 0.00 H new ATOM 0 HD13 ILE A 69 10.653 10.470 -16.756 1.00 0.00 H new ATOM 1091 N SER A 70 12.047 9.271 -11.251 1.00 0.00 N0 ATOM 1092 CA SER A 70 12.008 9.891 -9.932 1.00 0.00 C0 ATOM 1093 C SER A 70 13.249 9.542 -9.122 1.00 0.00 C0 ATOM 1094 O SER A 70 13.632 10.273 -8.209 1.00 0.00 O0 ATOM 1095 CB SER A 70 10.764 9.449 -9.185 1.00 0.00 C0 ATOM 1096 OG SER A 70 10.897 8.132 -8.724 1.00 0.00 O0 ATOM 0 H SER A 70 11.336 8.556 -11.401 1.00 0.00 H new ATOM 0 HA SER A 70 11.983 10.972 -10.069 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.585 10.117 -8.342 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.896 9.523 -9.840 1.00 0.00 H new ATOM 0 HG SER A 70 11.472 7.628 -9.336 1.00 0.00 H new ATOM 1102 N ARG A 71 13.875 8.419 -9.460 1.00 0.00 N0 ATOM 1103 CA ARG A 71 15.051 7.950 -8.738 1.00 0.00 C0 ATOM 1104 C ARG A 71 14.724 7.667 -7.278 1.00 0.00 C0 ATOM 1105 O ARG A 71 15.449 8.091 -6.377 1.00 0.00 O0 ATOM 1106 CB ARG A 71 16.171 8.978 -8.815 1.00 0.00 C0 ATOM 1107 CG ARG A 71 16.627 9.322 -10.223 1.00 0.00 C0 ATOM 1108 CD ARG A 71 17.656 10.394 -10.221 1.00 0.00 C0 ATOM 1109 NE ARG A 71 17.139 11.640 -9.678 1.00 0.00 N0 ATOM 1110 CZ ARG A 71 16.377 12.515 -10.362 1.00 0.00 C0 ATOM 1111 NH1 ARG A 71 16.053 12.267 -11.612 1.00 0.00 N1+ ATOM 1112 NH2 ARG A 71 15.956 13.623 -9.778 1.00 0.00 N0 ATOM 0 H ARG A 71 13.586 7.817 -10.231 1.00 0.00 H new ATOM 0 HA ARG A 71 15.378 7.023 -9.210 1.00 0.00 H new ATOM 0 HB2 ARG A 71 15.840 9.892 -8.322 1.00 0.00 H new ATOM 0 HB3 ARG A 71 17.027 8.605 -8.253 1.00 0.00 H new ATOM 0 HG2 ARG A 71 17.031 8.431 -10.703 1.00 0.00 H new ATOM 0 HG3 ARG A 71 15.770 9.642 -10.815 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.516 10.071 -9.634 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.009 10.560 -11.239 1.00 0.00 H new ATOM 0 HE ARG A 71 17.370 11.867 -8.711 1.00 0.00 H new ATOM 0 HH11 ARG A 71 16.379 11.412 -12.063 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.476 12.929 -12.130 1.00 0.00 H new ATOM 0 HH21 ARG A 71 16.208 13.816 -8.809 1.00 0.00 H new ATOM 0 HH22 ARG A 71 15.379 14.285 -10.297 1.00 0.00 H new ATOM 1126 N ARG A 72 13.631 6.947 -7.050 1.00 0.00 N0 ATOM 1127 CA ARG A 72 13.141 6.705 -5.698 1.00 0.00 C0 ATOM 1128 C ARG A 72 12.953 5.217 -5.439 1.00 0.00 C0 ATOM 1129 O ARG A 72 11.895 4.656 -5.726 1.00 0.00 O0 ATOM 1130 CB ARG A 72 11.822 7.429 -5.469 1.00 0.00 C0 ATOM 1131 CG ARG A 72 11.281 7.338 -4.051 1.00 0.00 C0 ATOM 1132 CD ARG A 72 12.072 8.167 -3.107 1.00 0.00 C0 ATOM 1133 NE ARG A 72 11.530 8.120 -1.758 1.00 0.00 N0 ATOM 1134 CZ ARG A 72 10.573 8.945 -1.289 1.00 0.00 C0 ATOM 1135 NH1 ARG A 72 10.064 9.872 -2.070 1.00 0.00 N1+ ATOM 1136 NH2 ARG A 72 10.146 8.821 -0.044 1.00 0.00 N0 ATOM 0 H ARG A 72 13.067 6.520 -7.785 1.00 0.00 H new ATOM 0 HA ARG A 72 13.889 7.089 -5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.952 8.480 -5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.077 7.023 -6.153 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.241 7.663 -4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.295 6.299 -3.722 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.105 7.819 -3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.088 9.199 -3.456 1.00 0.00 H new ATOM 0 HE ARG A 72 11.900 7.413 -1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.393 9.967 -3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.340 10.496 -1.715 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.541 8.101 0.561 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.422 9.445 0.311 1.00 0.00 H new ATOM 1150 N PRO A 73 13.985 4.580 -4.896 1.00 0.00 N0 ATOM 1151 CA PRO A 73 13.948 3.146 -4.634 1.00 0.00 C0 ATOM 1152 C PRO A 73 12.748 2.773 -3.774 1.00 0.00 C0 ATOM 1153 O PRO A 73 12.195 1.681 -3.903 1.00 0.00 O0 ATOM 1154 CB PRO A 73 15.270 2.896 -3.899 1.00 0.00 C0 ATOM 1155 CG PRO A 73 16.186 3.948 -4.428 1.00 0.00 C0 ATOM 1156 CD PRO A 73 15.311 5.162 -4.584 1.00 0.00 C0 ATOM 0 HA PRO A 73 13.844 2.545 -5.537 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.148 2.980 -2.819 1.00 0.00 H new ATOM 0 HB3 PRO A 73 15.654 1.896 -4.099 1.00 0.00 H new ATOM 0 HG2 PRO A 73 17.011 4.138 -3.742 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.626 3.650 -5.380 1.00 0.00 H new ATOM 0 HD2 PRO A 73 15.285 5.760 -3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 73 15.664 5.814 -5.383 1.00 0.00 H new ATOM 1164 N ASP A 74 12.351 3.687 -2.895 1.00 0.00 N0 ATOM 1165 CA ASP A 74 11.224 3.449 -1.999 1.00 0.00 C0 ATOM 1166 C ASP A 74 9.980 3.038 -2.776 1.00 0.00 C0 ATOM 1167 O ASP A 74 9.191 2.214 -2.313 1.00 0.00 O0 ATOM 1168 CB ASP A 74 10.924 4.699 -1.170 1.00 0.00 C0 ATOM 1169 CG ASP A 74 11.997 4.990 -0.128 1.00 0.00 C0 ATOM 1170 OD1 ASP A 74 12.743 4.095 0.194 1.00 0.00 O0 ATOM 1171 OD2 ASP A 74 12.060 6.103 0.336 1.00 0.00 O1- ATOM 0 H ASP A 74 12.793 4.600 -2.784 1.00 0.00 H new ATOM 0 HA ASP A 74 11.500 2.633 -1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.829 5.557 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.963 4.576 -0.670 1.00 0.00 H new ATOM 1176 N LEU A 75 9.810 3.616 -3.960 1.00 0.00 N0 ATOM 1177 CA LEU A 75 8.642 3.339 -4.788 1.00 0.00 C0 ATOM 1178 C LEU A 75 8.988 2.391 -5.929 1.00 0.00 C0 ATOM 1179 O LEU A 75 8.185 1.535 -6.302 1.00 0.00 O0 ATOM 1180 CB LEU A 75 8.072 4.645 -5.355 1.00 0.00 C0 ATOM 1181 CG LEU A 75 7.600 5.671 -4.318 1.00 0.00 C0 ATOM 1182 CD1 LEU A 75 7.183 6.954 -5.024 1.00 0.00 C0 ATOM 1183 CD2 LEU A 75 6.444 5.088 -3.518 1.00 0.00 C0 ATOM 0 H LEU A 75 10.467 4.280 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 75 7.892 2.860 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.834 5.111 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.232 4.401 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 75 8.412 5.906 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.848 7.683 -4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.032 7.359 -5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.370 6.740 -5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.108 5.817 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.621 4.847 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.774 4.182 -3.009 1.00 0.00 H new ATOM 1195 N LEU A 76 10.186 2.548 -6.480 1.00 0.00 N0 ATOM 1196 CA LEU A 76 10.624 1.736 -7.609 1.00 0.00 C0 ATOM 1197 C LEU A 76 10.733 0.266 -7.221 1.00 0.00 C0 ATOM 1198 O LEU A 76 10.306 -0.616 -7.965 1.00 0.00 O0 ATOM 1199 CB LEU A 76 11.978 2.235 -8.129 1.00 0.00 C0 ATOM 1200 CG LEU A 76 12.539 1.490 -9.346 1.00 0.00 C0 ATOM 1201 CD1 LEU A 76 11.555 1.595 -10.504 1.00 0.00 C0 ATOM 1202 CD2 LEU A 76 13.891 2.077 -9.723 1.00 0.00 C0 ATOM 0 H LEU A 76 10.873 3.232 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 76 9.877 1.830 -8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.882 3.290 -8.385 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.704 2.169 -7.319 1.00 0.00 H new ATOM 0 HG LEU A 76 12.677 0.436 -9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.954 1.065 -11.369 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.603 1.151 -10.214 1.00 0.00 H new ATOM 0 HD13 LEU A 76 11.403 2.644 -10.759 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.289 1.547 -10.588 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.774 3.133 -9.967 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.580 1.972 -8.885 1.00 0.00 H new ATOM 1214 N THR A 77 11.307 0.009 -6.050 1.00 0.00 N0 ATOM 1215 CA THR A 77 11.456 -1.352 -5.552 1.00 0.00 C0 ATOM 1216 C THR A 77 10.128 -2.098 -5.582 1.00 0.00 C0 ATOM 1217 O THR A 77 10.074 -3.276 -5.935 1.00 0.00 O0 ATOM 1218 CB THR A 77 12.021 -1.360 -4.119 1.00 0.00 C0 ATOM 1219 OG1 THR A 77 13.315 -0.742 -4.110 1.00 0.00 O0 ATOM 1220 CG2 THR A 77 12.139 -2.785 -3.600 1.00 0.00 C0 ATOM 0 H THR A 77 11.677 0.728 -5.428 1.00 0.00 H new ATOM 0 HA THR A 77 12.159 -1.861 -6.211 1.00 0.00 H new ATOM 0 HB THR A 77 11.341 -0.805 -3.473 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.212 0.233 -4.119 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.540 -2.771 -2.586 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.155 -3.253 -3.594 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.807 -3.354 -4.247 1.00 0.00 H new ATOM 1228 N MET A 78 9.057 -1.405 -5.209 1.00 0.00 N0 ATOM 1229 CA MET A 78 7.742 -2.027 -5.098 1.00 0.00 C0 ATOM 1230 C MET A 78 7.287 -2.594 -6.436 1.00 0.00 C0 ATOM 1231 O MET A 78 6.894 -3.757 -6.527 1.00 0.00 O0 ATOM 1232 CB MET A 78 6.724 -1.017 -4.573 1.00 0.00 C0 ATOM 1233 CG MET A 78 6.918 -0.628 -3.114 1.00 0.00 C0 ATOM 1234 SD MET A 78 6.675 -2.015 -1.987 1.00 0.00 S0 ATOM 1235 CE MET A 78 4.925 -2.328 -2.208 1.00 0.00 C0 ATOM 0 H MET A 78 9.074 -0.412 -4.978 1.00 0.00 H new ATOM 0 HA MET A 78 7.816 -2.854 -4.392 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.774 -0.117 -5.186 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.723 -1.431 -4.696 1.00 0.00 H new ATOM 0 HG2 MET A 78 7.923 -0.227 -2.979 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.220 0.169 -2.859 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.553 -2.921 -1.373 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.388 -1.380 -2.248 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.768 -2.873 -3.139 1.00 0.00 H new ATOM 1245 N VAL A 79 7.344 -1.766 -7.475 1.00 0.00 N0 ATOM 1246 CA VAL A 79 6.843 -2.150 -8.789 1.00 0.00 C0 ATOM 1247 C VAL A 79 7.792 -3.124 -9.476 1.00 0.00 C0 ATOM 1248 O VAL A 79 7.376 -3.923 -10.316 1.00 0.00 O0 ATOM 1249 CB VAL A 79 6.660 -0.904 -9.676 1.00 0.00 C0 ATOM 1250 CG1 VAL A 79 5.606 0.020 -9.083 1.00 0.00 C0 ATOM 1251 CG2 VAL A 79 7.987 -0.180 -9.832 1.00 0.00 C0 ATOM 0 H VAL A 79 7.733 -0.824 -7.431 1.00 0.00 H new ATOM 0 HA VAL A 79 5.881 -2.642 -8.647 1.00 0.00 H new ATOM 0 HB VAL A 79 6.318 -1.218 -10.662 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.489 0.895 -9.722 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.655 -0.509 -9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.918 0.336 -8.088 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.850 0.700 -10.460 1.00 0.00 H new ATOM 0 HG22 VAL A 79 8.351 0.127 -8.852 1.00 0.00 H new ATOM 0 HG23 VAL A 79 8.713 -0.847 -10.296 1.00 0.00 H new ATOM 1261 N VAL A 80 9.068 -3.053 -9.115 1.00 0.00 N0 ATOM 1262 CA VAL A 80 10.051 -4.025 -9.579 1.00 0.00 C0 ATOM 1263 C VAL A 80 9.789 -5.402 -8.980 1.00 0.00 C0 ATOM 1264 O VAL A 80 9.895 -6.418 -9.666 1.00 0.00 O0 ATOM 1265 CB VAL A 80 11.473 -3.568 -9.205 1.00 0.00 C0 ATOM 1266 CG1 VAL A 80 12.471 -4.694 -9.429 1.00 0.00 C0 ATOM 1267 CG2 VAL A 80 11.852 -2.340 -10.017 1.00 0.00 C0 ATOM 0 H VAL A 80 9.447 -2.331 -8.502 1.00 0.00 H new ATOM 0 HA VAL A 80 9.963 -4.093 -10.663 1.00 0.00 H new ATOM 0 HB VAL A 80 11.494 -3.306 -8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 80 13.471 -4.353 -9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.200 -5.549 -8.810 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.459 -4.988 -10.479 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.859 -2.022 -9.747 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.820 -2.582 -11.079 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.149 -1.534 -9.807 1.00 0.00 H new ATOM 1277 N ASP A 81 9.448 -5.427 -7.697 1.00 0.00 N0 ATOM 1278 CA ASP A 81 9.075 -6.668 -7.027 1.00 0.00 C0 ATOM 1279 C ASP A 81 7.820 -7.272 -7.646 1.00 0.00 C0 ATOM 1280 O ASP A 81 7.729 -8.485 -7.832 1.00 0.00 O0 ATOM 1281 CB ASP A 81 8.848 -6.425 -5.533 1.00 0.00 C0 ATOM 1282 CG ASP A 81 10.144 -6.197 -4.767 1.00 0.00 C0 ATOM 1283 OD1 ASP A 81 11.187 -6.492 -5.302 1.00 0.00 O0 ATOM 1284 OD2 ASP A 81 10.080 -5.730 -3.656 1.00 0.00 O1- ATOM 0 H ASP A 81 9.422 -4.601 -7.099 1.00 0.00 H new ATOM 0 HA ASP A 81 9.897 -7.372 -7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.199 -5.559 -5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.325 -7.281 -5.106 1.00 0.00 H new ATOM 1289 N TYR A 82 6.853 -6.417 -7.962 1.00 0.00 N0 ATOM 1290 CA TYR A 82 5.622 -6.857 -8.607 1.00 0.00 C0 ATOM 1291 C TYR A 82 5.894 -7.393 -10.007 1.00 0.00 C0 ATOM 1292 O TYR A 82 5.299 -8.385 -10.430 1.00 0.00 O0 ATOM 1293 CB TYR A 82 4.608 -5.712 -8.665 1.00 0.00 C0 ATOM 1294 CG TYR A 82 3.848 -5.503 -7.375 1.00 0.00 C0 ATOM 1295 CD1 TYR A 82 3.919 -4.283 -6.719 1.00 0.00 C0 ATOM 1296 CD2 TYR A 82 3.082 -6.531 -6.846 1.00 0.00 C0 ATOM 1297 CE1 TYR A 82 3.225 -4.092 -5.539 1.00 0.00 C0 ATOM 1298 CE2 TYR A 82 2.388 -6.340 -5.668 1.00 0.00 C0 ATOM 1299 CZ TYR A 82 2.457 -5.126 -5.014 1.00 0.00 C0 ATOM 1300 OH TYR A 82 1.767 -4.936 -3.840 1.00 0.00 O0 ATOM 0 H TYR A 82 6.899 -5.414 -7.781 1.00 0.00 H new ATOM 0 HA TYR A 82 5.204 -7.667 -8.010 1.00 0.00 H new ATOM 0 HB2 TYR A 82 5.130 -4.790 -8.922 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.897 -5.910 -9.467 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.516 -3.483 -7.130 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.028 -7.482 -7.356 1.00 0.00 H new ATOM 0 HE1 TYR A 82 3.279 -3.143 -5.026 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.791 -7.141 -5.258 1.00 0.00 H new ATOM 0 HH TYR A 82 1.545 -3.987 -3.741 1.00 0.00 H new ATOM 1310 N ARG A 83 6.798 -6.732 -10.723 1.00 0.00 N0 ATOM 1311 CA ARG A 83 7.220 -7.194 -12.039 1.00 0.00 C0 ATOM 1312 C ARG A 83 7.920 -8.545 -11.950 1.00 0.00 C0 ATOM 1313 O ARG A 83 7.704 -9.422 -12.786 1.00 0.00 O0 ATOM 1314 CB ARG A 83 8.155 -6.184 -12.687 1.00 0.00 C0 ATOM 1315 CG ARG A 83 8.627 -6.553 -14.084 1.00 0.00 C0 ATOM 1316 CD ARG A 83 9.343 -5.427 -14.738 1.00 0.00 C0 ATOM 1317 NE ARG A 83 9.920 -5.819 -16.013 1.00 0.00 N0 ATOM 1318 CZ ARG A 83 10.373 -4.958 -16.945 1.00 0.00 C0 ATOM 1319 NH1 ARG A 83 10.309 -3.663 -16.729 1.00 0.00 N1+ ATOM 1320 NH2 ARG A 83 10.882 -5.415 -18.076 1.00 0.00 N0 ATOM 0 H ARG A 83 7.253 -5.873 -10.413 1.00 0.00 H new ATOM 0 HA ARG A 83 6.324 -7.302 -12.651 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.649 -5.220 -12.733 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.028 -6.056 -12.047 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.286 -7.420 -14.028 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.770 -6.842 -14.693 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.652 -4.598 -14.892 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.132 -5.066 -14.078 1.00 0.00 H new ATOM 0 HE ARG A 83 9.987 -6.816 -16.217 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.917 -3.310 -15.856 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.652 -3.011 -17.434 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.932 -6.420 -18.243 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.225 -4.763 -18.781 1.00 0.00 H new ATOM 1334 N THR A 84 8.760 -8.704 -10.933 1.00 0.00 N0 ATOM 1335 CA THR A 84 9.436 -9.972 -10.689 1.00 0.00 C0 ATOM 1336 C THR A 84 8.433 -11.100 -10.482 1.00 0.00 C0 ATOM 1337 O THR A 84 8.616 -12.207 -10.987 1.00 0.00 O0 ATOM 1338 CB THR A 84 10.369 -9.878 -9.467 1.00 0.00 C0 ATOM 1339 OG1 THR A 84 11.378 -8.891 -9.709 1.00 0.00 O0 ATOM 1340 CG2 THR A 84 11.031 -11.220 -9.198 1.00 0.00 C0 ATOM 0 H THR A 84 8.989 -7.969 -10.264 1.00 0.00 H new ATOM 0 HA THR A 84 10.035 -10.193 -11.572 1.00 0.00 H new ATOM 0 HB THR A 84 9.777 -9.596 -8.596 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.972 -7.999 -9.700 1.00 0.00 H new ATOM 0 HG21 THR A 84 11.687 -11.135 -8.331 1.00 0.00 H new ATOM 0 HG22 THR A 84 10.265 -11.971 -9.002 1.00 0.00 H new ATOM 0 HG23 THR A 84 11.616 -11.518 -10.068 1.00 0.00 H new ATOM 1348 N ARG A 85 7.372 -10.812 -9.736 1.00 0.00 N0 ATOM 1349 CA ARG A 85 6.311 -11.785 -9.505 1.00 0.00 C0 ATOM 1350 C ARG A 85 5.623 -12.169 -10.809 1.00 0.00 C0 ATOM 1351 O ARG A 85 5.288 -13.334 -11.025 1.00 0.00 O0 ATOM 1352 CB ARG A 85 5.278 -11.230 -8.535 1.00 0.00 C0 ATOM 1353 CG ARG A 85 5.751 -11.113 -7.095 1.00 0.00 C0 ATOM 1354 CD ARG A 85 4.714 -10.505 -6.223 1.00 0.00 C0 ATOM 1355 NE ARG A 85 5.159 -10.400 -4.843 1.00 0.00 N0 ATOM 1356 CZ ARG A 85 4.422 -9.887 -3.838 1.00 0.00 C0 ATOM 1357 NH1 ARG A 85 3.209 -9.438 -4.075 1.00 0.00 N1+ ATOM 1358 NH2 ARG A 85 4.919 -9.835 -2.614 1.00 0.00 N0 ATOM 0 H ARG A 85 7.224 -9.911 -9.281 1.00 0.00 H new ATOM 0 HA ARG A 85 6.770 -12.675 -9.075 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.968 -10.244 -8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.396 -11.869 -8.562 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.011 -12.101 -6.716 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.657 -10.509 -7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.459 -9.514 -6.599 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.805 -11.106 -6.267 1.00 0.00 H new ATOM 0 HE ARG A 85 6.095 -10.738 -4.620 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.826 -9.478 -5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.651 -9.050 -3.314 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.860 -10.183 -2.430 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.361 -9.447 -1.853 1.00 0.00 H new ATOM 1372 N VAL A 86 5.414 -11.183 -11.675 1.00 0.00 N0 ATOM 1373 CA VAL A 86 4.850 -11.431 -12.997 1.00 0.00 C0 ATOM 1374 C VAL A 86 5.780 -12.295 -13.838 1.00 0.00 C0 ATOM 1375 O VAL A 86 5.333 -13.197 -14.548 1.00 0.00 O0 ATOM 1376 CB VAL A 86 4.592 -10.100 -13.725 1.00 0.00 C0 ATOM 1377 CG1 VAL A 86 4.229 -10.351 -15.181 1.00 0.00 C0 ATOM 1378 CG2 VAL A 86 3.487 -9.329 -13.019 1.00 0.00 C0 ATOM 0 H VAL A 86 5.627 -10.204 -11.485 1.00 0.00 H new ATOM 0 HA VAL A 86 3.908 -11.962 -12.862 1.00 0.00 H new ATOM 0 HB VAL A 86 5.503 -9.502 -13.702 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.050 -9.399 -15.681 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.049 -10.872 -15.676 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.328 -10.962 -15.231 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.310 -8.388 -13.540 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.572 -9.922 -13.019 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.786 -9.124 -11.991 1.00 0.00 H new ATOM 1388 N LEU A 87 7.076 -12.016 -13.755 1.00 0.00 N0 ATOM 1389 CA LEU A 87 8.074 -12.786 -14.487 1.00 0.00 C0 ATOM 1390 C LEU A 87 8.115 -14.232 -14.010 1.00 0.00 C0 ATOM 1391 O LEU A 87 8.307 -15.153 -14.803 1.00 0.00 O0 ATOM 1392 CB LEU A 87 9.461 -12.148 -14.325 1.00 0.00 C0 ATOM 1393 CG LEU A 87 9.657 -10.796 -15.022 1.00 0.00 C0 ATOM 1394 CD1 LEU A 87 10.992 -10.197 -14.602 1.00 0.00 C0 ATOM 1395 CD2 LEU A 87 9.593 -10.989 -16.530 1.00 0.00 C0 ATOM 0 H LEU A 87 7.460 -11.261 -13.187 1.00 0.00 H new ATOM 0 HA LEU A 87 7.793 -12.780 -15.540 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.659 -12.019 -13.261 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.208 -12.844 -14.707 1.00 0.00 H new ATOM 0 HG LEU A 87 8.865 -10.107 -14.730 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.132 -9.236 -15.097 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.002 -10.053 -13.522 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.799 -10.872 -14.886 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.732 -10.028 -17.026 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.379 -11.676 -16.843 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.622 -11.401 -16.803 1.00 0.00 H new ATOM 1407 N LYS A 88 7.933 -14.425 -12.707 1.00 0.00 N0 ATOM 1408 CA LYS A 88 7.959 -15.759 -12.120 1.00 0.00 C0 ATOM 1409 C LYS A 88 6.634 -16.479 -12.331 1.00 0.00 C0 ATOM 1410 O LYS A 88 6.599 -17.699 -12.496 1.00 0.00 O0 ATOM 1411 CB LYS A 88 8.283 -15.679 -10.626 1.00 0.00 C0 ATOM 1412 CG LYS A 88 9.723 -15.293 -10.316 1.00 0.00 C0 ATOM 1413 CD LYS A 88 9.972 -15.250 -8.815 1.00 0.00 C0 ATOM 1414 CE LYS A 88 11.430 -14.951 -8.503 1.00 0.00 C0 ATOM 1415 NZ LYS A 88 11.682 -14.882 -7.038 1.00 0.00 N1+ ATOM 0 H LYS A 88 7.766 -13.673 -12.038 1.00 0.00 H new ATOM 0 HA LYS A 88 8.740 -16.330 -12.622 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.616 -14.953 -10.160 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.072 -16.645 -10.168 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.402 -16.009 -10.779 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.942 -14.318 -10.751 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.338 -14.489 -8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.692 -16.205 -8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.061 -15.723 -8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.713 -14.005 -8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.687 -14.676 -6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.099 -14.129 -6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.436 -15.793 -6.600 1.00 0.00 H new ATOM 1429 N ILE A 89 5.545 -15.719 -12.324 1.00 0.00 N0 ATOM 1430 CA ILE A 89 4.208 -16.294 -12.418 1.00 0.00 C0 ATOM 1431 C ILE A 89 3.495 -15.827 -13.682 1.00 0.00 C0 ATOM 1432 O ILE A 89 2.815 -14.801 -13.678 1.00 0.00 O0 ATOM 1433 CB ILE A 89 3.363 -15.924 -11.186 1.00 0.00 C0 ATOM 1434 CG1 ILE A 89 4.061 -16.383 -9.903 1.00 0.00 C0 ATOM 1435 CG2 ILE A 89 1.975 -16.539 -11.288 1.00 0.00 C0 ATOM 1436 CD1 ILE A 89 3.409 -15.875 -8.637 1.00 0.00 C0 ATOM 0 H ILE A 89 5.562 -14.702 -12.254 1.00 0.00 H new ATOM 0 HA ILE A 89 4.323 -17.377 -12.459 1.00 0.00 H new ATOM 0 HB ILE A 89 3.257 -14.840 -11.152 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.078 -17.473 -9.880 1.00 0.00 H new ATOM 0 HG13 ILE A 89 5.098 -16.049 -9.925 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.391 -16.267 -10.409 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.477 -16.167 -12.183 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.061 -17.624 -11.345 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.960 -16.242 -7.771 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.416 -14.785 -8.636 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.380 -16.231 -8.590 1.00 0.00 H new ATOM 1448 N SER A 90 3.658 -16.585 -14.760 1.00 0.00 N0 ATOM 1449 CA SER A 90 3.013 -16.262 -16.028 1.00 0.00 C0 ATOM 1450 C SER A 90 2.958 -17.478 -16.944 1.00 0.00 C0 ATOM 1451 O SER A 90 2.111 -18.313 -16.782 1.00 0.00 O0 ATOM 1452 CB SER A 90 3.754 -15.132 -16.716 1.00 0.00 C0 ATOM 1453 OG SER A 90 3.176 -14.836 -17.958 1.00 0.00 O0 ATOM 0 H SER A 90 4.232 -17.428 -14.782 1.00 0.00 H new ATOM 0 HA SER A 90 1.991 -15.948 -15.816 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.740 -14.245 -16.083 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.799 -15.408 -16.854 1.00 0.00 H new ATOM 0 HG SER A 90 3.670 -14.103 -18.382 1.00 0.00 H new TER 1459 SER A 90