USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 802 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 84 TYR OH : rot -99:sc= -0.26 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.619 USER MOD Set 2.1: A 49 HIS : no HD1:sc= -0.0834 K(o=-0.19,f=-1.2) USER MOD Set 2.2: A 80 MET CE :methyl -106:sc= -0.103 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -6.11! C(o=-6.1!,f=-12!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc=-0.00946 (180deg=-0.00946) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 15 HIS : no HD1:sc= -0.551 K(o=-0.55,f=-1.8) USER MOD Single : A 16 ASN : amide:sc= 0.328 X(o=0.33,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.015) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 32 MET CE :methyl -109:sc= -0.904 (180deg=-3.62!) USER MOD Single : A 34 LYS NZ :NH3+ -112:sc= -0.125 (180deg=-0.326) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 82:sc= 0.38 USER MOD Single : A 42 ASN : amide:sc= -0.539 K(o=-0.54,f=-2.2!) USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= -0.271 (180deg=-0.36) USER MOD Single : A 52 GLN : amide:sc= -3.67! K(o=-3.7!,f=-1.3) USER MOD Single : A 53 ASN : amide:sc= -0.926 K(o=-0.93,f=-0.33) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 141:sc= 0.122 (180deg=-0.332) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -35:sc= 0.587 USER MOD Single : A 69 THR OG1 : rot -80:sc= -2.13! USER MOD Single : A 71 SER OG : rot 77:sc= -0.572 USER MOD Single : A 75 GLN : amide:sc= 0.273 K(o=0.27,f=-2.3!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.22) USER MOD Single : A 91 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0373) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.620 6.429 1.434 1.00 0.00 N ATOM 2 CA MET A 1 -7.465 7.621 0.551 1.00 0.00 C ATOM 3 C MET A 1 -8.369 7.492 -0.679 1.00 0.00 C ATOM 4 O MET A 1 -9.125 8.388 -1.000 1.00 0.00 O ATOM 5 CB MET A 1 -5.995 7.616 0.131 1.00 0.00 C ATOM 6 CG MET A 1 -5.156 8.312 1.205 1.00 0.00 C ATOM 7 SD MET A 1 -4.011 9.474 0.420 1.00 0.00 S ATOM 8 CE MET A 1 -5.111 10.911 0.422 1.00 0.00 C ATOM 0 H1 MET A 1 -7.002 6.529 2.264 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.609 6.354 1.746 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.357 5.571 0.908 1.00 0.00 H new ATOM 0 HA MET A 1 -7.744 8.545 1.057 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.649 6.592 -0.009 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.877 8.126 -0.825 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.805 8.841 1.903 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.601 7.573 1.783 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.599 11.762 -0.027 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.008 10.683 -0.153 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.389 11.155 1.447 1.00 0.00 H new ATOM 20 N LEU A 2 -8.294 6.388 -1.372 1.00 0.00 N ATOM 21 CA LEU A 2 -9.149 6.212 -2.579 1.00 0.00 C ATOM 22 C LEU A 2 -10.539 5.750 -2.204 1.00 0.00 C ATOM 23 O LEU A 2 -10.765 5.100 -1.203 1.00 0.00 O ATOM 24 CB LEU A 2 -8.452 5.174 -3.442 1.00 0.00 C ATOM 25 CG LEU A 2 -9.124 5.155 -4.814 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.080 4.915 -5.910 1.00 0.00 C ATOM 27 CD2 LEU A 2 -10.148 4.034 -4.826 1.00 0.00 C ATOM 0 H LEU A 2 -7.680 5.603 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.272 7.156 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.393 5.413 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.514 4.191 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.609 6.113 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.570 4.903 -6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.338 5.713 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.588 3.957 -5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.641 4.002 -5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.649 3.083 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.891 4.211 -4.048 1.00 0.00 H new ATOM 39 N THR A 3 -11.471 6.122 -3.016 1.00 0.00 N ATOM 40 CA THR A 3 -12.882 5.775 -2.772 1.00 0.00 C ATOM 41 C THR A 3 -13.435 5.001 -3.978 1.00 0.00 C ATOM 42 O THR A 3 -12.809 4.920 -5.016 1.00 0.00 O ATOM 43 CB THR A 3 -13.529 7.152 -2.550 1.00 0.00 C ATOM 44 OG1 THR A 3 -14.085 7.198 -1.243 1.00 0.00 O ATOM 45 CG2 THR A 3 -14.627 7.460 -3.576 1.00 0.00 C ATOM 0 H THR A 3 -11.309 6.668 -3.862 1.00 0.00 H new ATOM 0 HA THR A 3 -13.068 5.116 -1.924 1.00 0.00 H new ATOM 0 HB THR A 3 -12.750 7.904 -2.671 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.498 8.074 -1.094 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.050 8.444 -3.372 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.201 7.448 -4.579 1.00 0.00 H new ATOM 0 HG23 THR A 3 -15.412 6.707 -3.506 1.00 0.00 H new ATOM 53 N GLY A 4 -14.589 4.424 -3.832 1.00 0.00 N ATOM 54 CA GLY A 4 -15.197 3.631 -4.945 1.00 0.00 C ATOM 55 C GLY A 4 -15.069 4.358 -6.293 1.00 0.00 C ATOM 56 O GLY A 4 -14.371 3.914 -7.183 1.00 0.00 O ATOM 0 H GLY A 4 -15.149 4.465 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.710 2.658 -5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.249 3.447 -4.729 1.00 0.00 H new ATOM 60 N LYS A 5 -15.761 5.451 -6.463 1.00 0.00 N ATOM 61 CA LYS A 5 -15.705 6.181 -7.770 1.00 0.00 C ATOM 62 C LYS A 5 -14.261 6.468 -8.211 1.00 0.00 C ATOM 63 O LYS A 5 -13.974 6.515 -9.392 1.00 0.00 O ATOM 64 CB LYS A 5 -16.472 7.486 -7.541 1.00 0.00 C ATOM 65 CG LYS A 5 -15.904 8.222 -6.327 1.00 0.00 C ATOM 66 CD LYS A 5 -16.518 9.621 -6.249 1.00 0.00 C ATOM 67 CE LYS A 5 -17.987 9.509 -5.836 1.00 0.00 C ATOM 68 NZ LYS A 5 -18.495 10.909 -5.825 1.00 0.00 N ATOM 0 H LYS A 5 -16.364 5.873 -5.756 1.00 0.00 H new ATOM 0 HA LYS A 5 -16.141 5.581 -8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.401 8.119 -8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -17.530 7.273 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.122 7.666 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.819 8.293 -6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.972 10.230 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.437 10.120 -7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.548 8.892 -6.538 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.086 9.046 -4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.498 10.912 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.947 11.472 -5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.395 11.322 -6.774 1.00 0.00 H new ATOM 82 N GLN A 6 -13.345 6.660 -7.296 1.00 0.00 N ATOM 83 CA GLN A 6 -11.944 6.941 -7.713 1.00 0.00 C ATOM 84 C GLN A 6 -11.305 5.664 -8.263 1.00 0.00 C ATOM 85 O GLN A 6 -10.529 5.694 -9.195 1.00 0.00 O ATOM 86 CB GLN A 6 -11.250 7.393 -6.433 1.00 0.00 C ATOM 87 CG GLN A 6 -11.953 8.639 -5.889 1.00 0.00 C ATOM 88 CD GLN A 6 -11.247 9.113 -4.616 1.00 0.00 C ATOM 89 OE1 GLN A 6 -10.140 8.702 -4.333 1.00 0.00 O ATOM 90 NE2 GLN A 6 -11.844 9.969 -3.832 1.00 0.00 N ATOM 0 H GLN A 6 -13.507 6.634 -6.289 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.873 7.693 -8.499 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.274 6.595 -5.691 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.201 7.611 -6.632 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.943 9.431 -6.638 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.998 8.415 -5.675 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.774 10.315 -4.069 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.381 10.292 -2.983 1.00 0.00 H new ATOM 99 N LYS A 7 -11.639 4.542 -7.691 1.00 0.00 N ATOM 100 CA LYS A 7 -11.070 3.248 -8.164 1.00 0.00 C ATOM 101 C LYS A 7 -11.485 2.981 -9.611 1.00 0.00 C ATOM 102 O LYS A 7 -10.677 2.614 -10.432 1.00 0.00 O ATOM 103 CB LYS A 7 -11.679 2.199 -7.224 1.00 0.00 C ATOM 104 CG LYS A 7 -11.440 0.799 -7.789 1.00 0.00 C ATOM 105 CD LYS A 7 -12.650 0.360 -8.611 1.00 0.00 C ATOM 106 CE LYS A 7 -12.175 -0.094 -9.991 1.00 0.00 C ATOM 107 NZ LYS A 7 -13.382 -0.668 -10.648 1.00 0.00 N ATOM 0 H LYS A 7 -12.288 4.464 -6.908 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.980 3.238 -8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.233 2.282 -6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.748 2.377 -7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.545 0.796 -8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.265 0.094 -6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.173 -0.452 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.358 1.183 -8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.774 0.742 -10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.380 -0.835 -9.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.133 -1.001 -11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.738 -1.466 -10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.119 0.062 -10.718 1.00 0.00 H new ATOM 121 N ARG A 8 -12.739 3.132 -9.927 1.00 0.00 N ATOM 122 CA ARG A 8 -13.180 2.851 -11.320 1.00 0.00 C ATOM 123 C ARG A 8 -12.400 3.711 -12.321 1.00 0.00 C ATOM 124 O ARG A 8 -11.803 3.206 -13.252 1.00 0.00 O ATOM 125 CB ARG A 8 -14.666 3.205 -11.352 1.00 0.00 C ATOM 126 CG ARG A 8 -15.381 2.309 -12.365 1.00 0.00 C ATOM 127 CD ARG A 8 -16.798 2.834 -12.598 1.00 0.00 C ATOM 128 NE ARG A 8 -17.624 2.193 -11.537 1.00 0.00 N ATOM 129 CZ ARG A 8 -18.554 1.337 -11.865 1.00 0.00 C ATOM 130 NH1 ARG A 8 -18.357 0.507 -12.853 1.00 0.00 N ATOM 131 NH2 ARG A 8 -19.678 1.310 -11.203 1.00 0.00 N ATOM 0 H ARG A 8 -13.473 3.435 -9.287 1.00 0.00 H new ATOM 0 HA ARG A 8 -13.003 1.812 -11.598 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.103 3.074 -10.362 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.796 4.253 -11.622 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -14.829 2.292 -13.305 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -15.417 1.283 -11.998 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -16.834 3.921 -12.524 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -17.158 2.570 -13.592 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.463 2.422 -10.556 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -17.477 0.527 -13.368 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -19.083 -0.162 -13.110 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -19.830 1.957 -10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.405 0.642 -11.459 1.00 0.00 H new ATOM 145 N TYR A 9 -12.399 5.003 -12.139 1.00 0.00 N ATOM 146 CA TYR A 9 -11.656 5.888 -13.086 1.00 0.00 C ATOM 147 C TYR A 9 -10.193 5.475 -13.162 1.00 0.00 C ATOM 148 O TYR A 9 -9.640 5.246 -14.221 1.00 0.00 O ATOM 149 CB TYR A 9 -11.734 7.285 -12.471 1.00 0.00 C ATOM 150 CG TYR A 9 -13.027 7.952 -12.880 1.00 0.00 C ATOM 151 CD1 TYR A 9 -14.238 7.553 -12.300 1.00 0.00 C ATOM 152 CD2 TYR A 9 -13.014 8.969 -13.842 1.00 0.00 C ATOM 153 CE1 TYR A 9 -15.435 8.174 -12.682 1.00 0.00 C ATOM 154 CE2 TYR A 9 -14.210 9.588 -14.224 1.00 0.00 C ATOM 155 CZ TYR A 9 -15.420 9.190 -13.645 1.00 0.00 C ATOM 156 OH TYR A 9 -16.600 9.800 -14.023 1.00 0.00 O ATOM 0 H TYR A 9 -12.878 5.485 -11.378 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.076 5.837 -14.090 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -11.676 7.218 -11.385 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.885 7.885 -12.799 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -14.249 6.767 -11.559 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -12.080 9.276 -14.290 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -16.369 7.869 -12.233 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.199 10.373 -14.966 1.00 0.00 H new ATOM 0 HH TYR A 9 -16.413 10.484 -14.699 1.00 0.00 H new ATOM 166 N LEU A 10 -9.561 5.417 -12.032 1.00 0.00 N ATOM 167 CA LEU A 10 -8.122 5.069 -11.994 1.00 0.00 C ATOM 168 C LEU A 10 -7.874 3.611 -12.370 1.00 0.00 C ATOM 169 O LEU A 10 -6.895 3.291 -13.014 1.00 0.00 O ATOM 170 CB LEU A 10 -7.708 5.331 -10.551 1.00 0.00 C ATOM 171 CG LEU A 10 -6.539 6.291 -10.564 1.00 0.00 C ATOM 172 CD1 LEU A 10 -6.343 6.900 -9.184 1.00 0.00 C ATOM 173 CD2 LEU A 10 -5.296 5.509 -10.942 1.00 0.00 C ATOM 0 H LEU A 10 -9.985 5.598 -11.122 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.549 5.654 -12.714 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.540 5.752 -9.987 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.429 4.399 -10.060 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.727 7.093 -11.277 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.499 7.589 -9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.244 7.440 -8.893 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.146 6.108 -8.462 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.436 6.179 -10.959 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.127 4.719 -10.210 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.431 5.066 -11.929 1.00 0.00 H new ATOM 185 N ARG A 11 -8.735 2.720 -11.973 1.00 0.00 N ATOM 186 CA ARG A 11 -8.521 1.285 -12.315 1.00 0.00 C ATOM 187 C ARG A 11 -8.256 1.147 -13.819 1.00 0.00 C ATOM 188 O ARG A 11 -7.445 0.353 -14.250 1.00 0.00 O ATOM 189 CB ARG A 11 -9.825 0.583 -11.921 1.00 0.00 C ATOM 190 CG ARG A 11 -9.860 -0.837 -12.496 1.00 0.00 C ATOM 191 CD ARG A 11 -10.559 -0.815 -13.856 1.00 0.00 C ATOM 192 NE ARG A 11 -11.218 -2.144 -13.976 1.00 0.00 N ATOM 193 CZ ARG A 11 -11.991 -2.399 -14.997 1.00 0.00 C ATOM 194 NH1 ARG A 11 -12.786 -1.475 -15.460 1.00 0.00 N ATOM 195 NH2 ARG A 11 -11.968 -3.579 -15.553 1.00 0.00 N ATOM 0 H ARG A 11 -9.575 2.919 -11.429 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.664 0.852 -11.799 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.912 0.545 -10.835 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.678 1.153 -12.289 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.846 -1.224 -12.602 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.387 -1.505 -11.814 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.289 -0.007 -13.911 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.845 -0.655 -14.664 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.066 -2.855 -13.261 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.804 -0.553 -15.025 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.390 -1.674 -16.258 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.346 -4.302 -15.190 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.572 -3.779 -16.351 1.00 0.00 H new ATOM 209 N SER A 12 -8.933 1.927 -14.614 1.00 0.00 N ATOM 210 CA SER A 12 -8.720 1.856 -16.086 1.00 0.00 C ATOM 211 C SER A 12 -7.387 2.515 -16.445 1.00 0.00 C ATOM 212 O SER A 12 -6.685 2.074 -17.334 1.00 0.00 O ATOM 213 CB SER A 12 -9.886 2.634 -16.694 1.00 0.00 C ATOM 214 OG SER A 12 -11.084 2.306 -16.002 1.00 0.00 O ATOM 0 H SER A 12 -9.625 2.611 -14.308 1.00 0.00 H new ATOM 0 HA SER A 12 -8.684 0.831 -16.455 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.697 3.705 -16.628 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.986 2.393 -17.752 1.00 0.00 H new ATOM 0 HG SER A 12 -11.833 2.805 -16.390 1.00 0.00 H new ATOM 220 N LEU A 13 -7.034 3.573 -15.764 1.00 0.00 N ATOM 221 CA LEU A 13 -5.750 4.261 -16.071 1.00 0.00 C ATOM 222 C LEU A 13 -4.579 3.301 -15.952 1.00 0.00 C ATOM 223 O LEU A 13 -3.766 3.235 -16.833 1.00 0.00 O ATOM 224 CB LEU A 13 -5.640 5.363 -15.010 1.00 0.00 C ATOM 225 CG LEU A 13 -6.531 6.585 -15.327 1.00 0.00 C ATOM 226 CD1 LEU A 13 -5.657 7.720 -15.862 1.00 0.00 C ATOM 227 CD2 LEU A 13 -7.620 6.265 -16.365 1.00 0.00 C ATOM 0 H LEU A 13 -7.580 3.989 -15.009 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.729 4.652 -17.088 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.920 4.956 -14.038 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.602 5.685 -14.933 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.028 6.875 -14.401 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.281 8.585 -16.087 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.916 7.993 -15.111 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.150 7.392 -16.770 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.218 7.157 -16.552 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.152 5.940 -17.295 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.262 5.471 -15.985 1.00 0.00 H new ATOM 239 N ALA A 14 -4.489 2.566 -14.876 1.00 0.00 N ATOM 240 CA ALA A 14 -3.346 1.613 -14.701 1.00 0.00 C ATOM 241 C ALA A 14 -3.548 0.345 -15.544 1.00 0.00 C ATOM 242 O ALA A 14 -2.667 -0.485 -15.646 1.00 0.00 O ATOM 243 CB ALA A 14 -3.377 1.254 -13.217 1.00 0.00 C ATOM 0 H ALA A 14 -5.158 2.582 -14.106 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.400 2.052 -15.018 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.570 0.556 -12.995 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.249 2.158 -12.621 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.334 0.792 -12.974 1.00 0.00 H new ATOM 249 N HIS A 15 -4.704 0.172 -16.126 1.00 0.00 N ATOM 250 CA HIS A 15 -4.960 -1.061 -16.932 1.00 0.00 C ATOM 251 C HIS A 15 -4.134 -1.079 -18.223 1.00 0.00 C ATOM 252 O HIS A 15 -3.548 -2.083 -18.577 1.00 0.00 O ATOM 253 CB HIS A 15 -6.453 -1.011 -17.259 1.00 0.00 C ATOM 254 CG HIS A 15 -7.045 -2.386 -17.109 1.00 0.00 C ATOM 255 ND1 HIS A 15 -6.794 -3.402 -18.019 1.00 0.00 N ATOM 256 CD2 HIS A 15 -7.877 -2.929 -16.161 1.00 0.00 C ATOM 257 CE1 HIS A 15 -7.462 -4.493 -17.603 1.00 0.00 C ATOM 258 NE2 HIS A 15 -8.139 -4.260 -16.475 1.00 0.00 N ATOM 0 H HIS A 15 -5.483 0.829 -16.080 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.677 -1.959 -16.383 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.959 -0.311 -16.594 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.602 -0.648 -18.276 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -8.269 -2.404 -15.302 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.452 -5.442 -18.118 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.722 -4.916 -15.956 1.00 0.00 H new ATOM 266 N ASN A 16 -4.091 0.009 -18.941 1.00 0.00 N ATOM 267 CA ASN A 16 -3.313 0.024 -20.216 1.00 0.00 C ATOM 268 C ASN A 16 -1.832 0.321 -19.957 1.00 0.00 C ATOM 269 O ASN A 16 -1.042 0.403 -20.877 1.00 0.00 O ATOM 270 CB ASN A 16 -3.944 1.142 -21.048 1.00 0.00 C ATOM 271 CG ASN A 16 -3.956 0.737 -22.523 1.00 0.00 C ATOM 272 OD1 ASN A 16 -4.896 1.029 -23.236 1.00 0.00 O ATOM 273 ND2 ASN A 16 -2.946 0.073 -23.015 1.00 0.00 N ATOM 0 H ASN A 16 -4.557 0.885 -18.704 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.348 -0.941 -20.721 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.960 1.336 -20.705 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.382 2.067 -20.919 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.946 -0.201 -23.998 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.157 -0.172 -22.417 1.00 0.00 H new ATOM 280 N ILE A 17 -1.445 0.496 -18.723 1.00 0.00 N ATOM 281 CA ILE A 17 -0.024 0.797 -18.427 1.00 0.00 C ATOM 282 C ILE A 17 0.732 -0.491 -18.098 1.00 0.00 C ATOM 283 O ILE A 17 0.146 -1.541 -17.926 1.00 0.00 O ATOM 284 CB ILE A 17 -0.020 1.726 -17.216 1.00 0.00 C ATOM 285 CG1 ILE A 17 -1.298 2.589 -17.182 1.00 0.00 C ATOM 286 CG2 ILE A 17 1.206 2.607 -17.329 1.00 0.00 C ATOM 287 CD1 ILE A 17 -1.147 3.782 -16.234 1.00 0.00 C ATOM 0 H ILE A 17 -2.056 0.443 -17.908 1.00 0.00 H new ATOM 0 HA ILE A 17 0.465 1.260 -19.284 1.00 0.00 H new ATOM 0 HB ILE A 17 0.003 1.145 -16.294 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.522 2.948 -18.187 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.143 1.977 -16.866 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.245 3.288 -16.479 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.101 1.985 -17.337 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.156 3.183 -18.253 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.067 4.367 -16.236 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.948 3.422 -15.225 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.318 4.408 -16.566 1.00 0.00 H new ATOM 299 N ASP A 18 2.029 -0.416 -18.013 1.00 0.00 N ATOM 300 CA ASP A 18 2.830 -1.634 -17.700 1.00 0.00 C ATOM 301 C ASP A 18 3.430 -1.568 -16.283 1.00 0.00 C ATOM 302 O ASP A 18 3.803 -0.508 -15.819 1.00 0.00 O ATOM 303 CB ASP A 18 3.942 -1.652 -18.748 1.00 0.00 C ATOM 304 CG ASP A 18 3.821 -2.917 -19.600 1.00 0.00 C ATOM 305 OD1 ASP A 18 2.708 -3.256 -19.966 1.00 0.00 O ATOM 306 OD2 ASP A 18 4.842 -3.525 -19.870 1.00 0.00 O ATOM 0 H ASP A 18 2.572 0.437 -18.147 1.00 0.00 H new ATOM 0 HA ASP A 18 2.215 -2.533 -17.726 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.874 -0.767 -19.381 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.916 -1.621 -18.260 1.00 0.00 H new ATOM 311 N PRO A 19 3.534 -2.719 -15.654 1.00 0.00 N ATOM 312 CA PRO A 19 4.130 -2.802 -14.295 1.00 0.00 C ATOM 313 C PRO A 19 5.659 -2.707 -14.392 1.00 0.00 C ATOM 314 O PRO A 19 6.276 -3.333 -15.230 1.00 0.00 O ATOM 315 CB PRO A 19 3.689 -4.176 -13.795 1.00 0.00 C ATOM 316 CG PRO A 19 3.420 -4.986 -15.020 1.00 0.00 C ATOM 317 CD PRO A 19 3.108 -4.036 -16.147 1.00 0.00 C ATOM 0 HA PRO A 19 3.816 -1.999 -13.628 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.464 -4.637 -13.183 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.797 -4.098 -13.173 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.285 -5.601 -15.268 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.584 -5.665 -14.852 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.643 -4.311 -17.056 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.045 -4.044 -16.388 1.00 0.00 H new ATOM 325 N ILE A 20 6.276 -1.943 -13.529 1.00 0.00 N ATOM 326 CA ILE A 20 7.771 -1.834 -13.569 1.00 0.00 C ATOM 327 C ILE A 20 8.377 -2.566 -12.362 1.00 0.00 C ATOM 328 O ILE A 20 9.540 -2.921 -12.357 1.00 0.00 O ATOM 329 CB ILE A 20 8.140 -0.332 -13.616 1.00 0.00 C ATOM 330 CG1 ILE A 20 7.851 0.377 -12.284 1.00 0.00 C ATOM 331 CG2 ILE A 20 7.387 0.350 -14.762 1.00 0.00 C ATOM 332 CD1 ILE A 20 6.353 0.629 -12.081 1.00 0.00 C ATOM 0 H ILE A 20 5.817 -1.393 -12.803 1.00 0.00 H new ATOM 0 HA ILE A 20 8.184 -2.313 -14.457 1.00 0.00 H new ATOM 0 HB ILE A 20 9.213 -0.257 -13.790 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.232 -0.228 -11.461 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.386 1.326 -12.255 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.650 1.407 -14.792 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.661 -0.119 -15.707 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.313 0.247 -14.604 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.195 1.132 -11.127 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.977 1.257 -12.889 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.821 -0.322 -12.082 1.00 0.00 H new ATOM 344 N PHE A 21 7.576 -2.855 -11.369 1.00 0.00 N ATOM 345 CA PHE A 21 8.069 -3.635 -10.189 1.00 0.00 C ATOM 346 C PHE A 21 7.376 -5.004 -10.213 1.00 0.00 C ATOM 347 O PHE A 21 6.188 -5.098 -10.447 1.00 0.00 O ATOM 348 CB PHE A 21 7.679 -2.871 -8.901 1.00 0.00 C ATOM 349 CG PHE A 21 6.539 -1.895 -9.130 1.00 0.00 C ATOM 350 CD1 PHE A 21 5.280 -2.350 -9.532 1.00 0.00 C ATOM 351 CD2 PHE A 21 6.755 -0.530 -8.948 1.00 0.00 C ATOM 352 CE1 PHE A 21 4.250 -1.433 -9.755 1.00 0.00 C ATOM 353 CE2 PHE A 21 5.720 0.383 -9.163 1.00 0.00 C ATOM 354 CZ PHE A 21 4.468 -0.068 -9.567 1.00 0.00 C ATOM 0 H PHE A 21 6.594 -2.583 -11.323 1.00 0.00 H new ATOM 0 HA PHE A 21 9.151 -3.763 -10.219 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.392 -3.586 -8.130 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.547 -2.330 -8.526 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.104 -3.407 -9.670 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.728 -0.177 -8.639 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.280 -1.783 -10.075 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.892 1.439 -9.016 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.667 0.637 -9.735 1.00 0.00 H new ATOM 364 N GLN A 22 8.101 -6.071 -10.008 1.00 0.00 N ATOM 365 CA GLN A 22 7.454 -7.418 -10.059 1.00 0.00 C ATOM 366 C GLN A 22 7.729 -8.220 -8.783 1.00 0.00 C ATOM 367 O GLN A 22 8.858 -8.360 -8.356 1.00 0.00 O ATOM 368 CB GLN A 22 8.086 -8.107 -11.268 1.00 0.00 C ATOM 369 CG GLN A 22 7.318 -9.392 -11.585 1.00 0.00 C ATOM 370 CD GLN A 22 7.696 -9.882 -12.984 1.00 0.00 C ATOM 371 OE1 GLN A 22 8.042 -11.033 -13.164 1.00 0.00 O ATOM 372 NE2 GLN A 22 7.647 -9.051 -13.989 1.00 0.00 N ATOM 0 H GLN A 22 9.102 -6.072 -9.810 1.00 0.00 H new ATOM 0 HA GLN A 22 6.370 -7.340 -10.139 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.070 -7.439 -12.130 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.131 -8.337 -11.063 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.549 -10.158 -10.845 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.245 -9.210 -11.530 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.357 -8.085 -13.838 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.899 -9.368 -14.925 1.00 0.00 H new ATOM 381 N ILE A 23 6.700 -8.762 -8.185 1.00 0.00 N ATOM 382 CA ILE A 23 6.891 -9.572 -6.949 1.00 0.00 C ATOM 383 C ILE A 23 7.153 -11.032 -7.329 1.00 0.00 C ATOM 384 O ILE A 23 6.610 -11.536 -8.288 1.00 0.00 O ATOM 385 CB ILE A 23 5.583 -9.366 -6.133 1.00 0.00 C ATOM 386 CG1 ILE A 23 5.943 -8.672 -4.825 1.00 0.00 C ATOM 387 CG2 ILE A 23 4.852 -10.686 -5.802 1.00 0.00 C ATOM 388 CD1 ILE A 23 4.679 -8.125 -4.166 1.00 0.00 C ATOM 0 H ILE A 23 5.734 -8.677 -8.501 1.00 0.00 H new ATOM 0 HA ILE A 23 7.752 -9.273 -6.352 1.00 0.00 H new ATOM 0 HB ILE A 23 4.907 -8.771 -6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.439 -9.374 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.646 -7.861 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.949 -10.469 -5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.583 -11.195 -6.728 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.508 -11.327 -5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.941 -7.630 -3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.201 -7.409 -4.834 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.991 -8.945 -3.961 1.00 0.00 H new ATOM 400 N GLY A 24 7.982 -11.709 -6.583 1.00 0.00 N ATOM 401 CA GLY A 24 8.270 -13.134 -6.901 1.00 0.00 C ATOM 402 C GLY A 24 7.009 -13.959 -6.659 1.00 0.00 C ATOM 403 O GLY A 24 5.927 -13.424 -6.516 1.00 0.00 O ATOM 0 H GLY A 24 8.471 -11.337 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.591 -13.231 -7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.086 -13.502 -6.279 1.00 0.00 H new ATOM 407 N LYS A 25 7.128 -15.255 -6.613 1.00 0.00 N ATOM 408 CA LYS A 25 5.915 -16.095 -6.386 1.00 0.00 C ATOM 409 C LYS A 25 5.706 -16.330 -4.887 1.00 0.00 C ATOM 410 O LYS A 25 4.613 -16.620 -4.444 1.00 0.00 O ATOM 411 CB LYS A 25 6.182 -17.425 -7.101 1.00 0.00 C ATOM 412 CG LYS A 25 6.729 -17.180 -8.514 1.00 0.00 C ATOM 413 CD LYS A 25 8.095 -17.855 -8.656 1.00 0.00 C ATOM 414 CE LYS A 25 8.167 -18.586 -9.998 1.00 0.00 C ATOM 415 NZ LYS A 25 9.617 -18.842 -10.220 1.00 0.00 N ATOM 0 H LYS A 25 8.003 -15.768 -6.721 1.00 0.00 H new ATOM 0 HA LYS A 25 5.016 -15.611 -6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.896 -18.016 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.261 -18.005 -7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.037 -17.576 -9.257 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.819 -16.110 -8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.889 -17.110 -8.593 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.252 -18.558 -7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.601 -19.517 -9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.746 -17.980 -10.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.747 -19.341 -11.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.129 -17.937 -10.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.989 -19.426 -9.444 1.00 0.00 H new ATOM 429 N GLY A 26 6.743 -16.206 -4.104 1.00 0.00 N ATOM 430 CA GLY A 26 6.599 -16.422 -2.634 1.00 0.00 C ATOM 431 C GLY A 26 5.446 -15.567 -2.103 1.00 0.00 C ATOM 432 O GLY A 26 4.669 -15.997 -1.274 1.00 0.00 O ATOM 0 H GLY A 26 7.683 -15.965 -4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.410 -17.475 -2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.526 -16.159 -2.124 1.00 0.00 H new ATOM 436 N GLY A 27 5.333 -14.355 -2.574 1.00 0.00 N ATOM 437 CA GLY A 27 4.239 -13.465 -2.103 1.00 0.00 C ATOM 438 C GLY A 27 4.712 -12.022 -2.222 1.00 0.00 C ATOM 439 O GLY A 27 5.218 -11.612 -3.248 1.00 0.00 O ATOM 0 H GLY A 27 5.956 -13.943 -3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.340 -13.620 -2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.980 -13.696 -1.070 1.00 0.00 H new ATOM 443 N ILE A 28 4.576 -11.249 -1.183 1.00 0.00 N ATOM 444 CA ILE A 28 5.051 -9.843 -1.259 1.00 0.00 C ATOM 445 C ILE A 28 6.368 -9.714 -0.489 1.00 0.00 C ATOM 446 O ILE A 28 6.421 -9.916 0.708 1.00 0.00 O ATOM 447 CB ILE A 28 3.945 -9.007 -0.605 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.733 -8.976 -1.533 1.00 0.00 C ATOM 449 CG2 ILE A 28 4.439 -7.574 -0.371 1.00 0.00 C ATOM 450 CD1 ILE A 28 1.601 -8.189 -0.879 1.00 0.00 C ATOM 0 H ILE A 28 4.161 -11.526 -0.294 1.00 0.00 H new ATOM 0 HA ILE A 28 5.239 -9.513 -2.281 1.00 0.00 H new ATOM 0 HB ILE A 28 3.674 -9.451 0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.004 -8.519 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.404 -9.992 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.647 -6.987 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.310 -7.592 0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.712 -7.123 -1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.739 -8.170 -1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.323 -8.665 0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.932 -7.169 -0.685 1.00 0.00 H new ATOM 462 N ASN A 29 7.429 -9.379 -1.165 1.00 0.00 N ATOM 463 CA ASN A 29 8.739 -9.239 -0.467 1.00 0.00 C ATOM 464 C ASN A 29 9.108 -7.760 -0.321 1.00 0.00 C ATOM 465 O ASN A 29 8.971 -6.987 -1.249 1.00 0.00 O ATOM 466 CB ASN A 29 9.745 -9.956 -1.370 1.00 0.00 C ATOM 467 CG ASN A 29 10.580 -10.929 -0.534 1.00 0.00 C ATOM 468 OD1 ASN A 29 11.318 -10.517 0.339 1.00 0.00 O ATOM 469 ND2 ASN A 29 10.493 -12.209 -0.765 1.00 0.00 N ATOM 0 H ASN A 29 7.448 -9.196 -2.168 1.00 0.00 H new ATOM 0 HA ASN A 29 8.718 -9.660 0.538 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.221 -10.495 -2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.395 -9.229 -1.858 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.045 -12.866 -0.213 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.873 -12.554 -1.498 1.00 0.00 H new ATOM 476 N GLU A 30 9.577 -7.351 0.833 1.00 0.00 N ATOM 477 CA GLU A 30 9.946 -5.914 1.002 1.00 0.00 C ATOM 478 C GLU A 30 10.972 -5.520 -0.053 1.00 0.00 C ATOM 479 O GLU A 30 10.889 -4.462 -0.630 1.00 0.00 O ATOM 480 CB GLU A 30 10.550 -5.776 2.401 1.00 0.00 C ATOM 481 CG GLU A 30 11.058 -4.336 2.588 1.00 0.00 C ATOM 482 CD GLU A 30 11.461 -4.122 4.048 1.00 0.00 C ATOM 483 OE1 GLU A 30 11.025 -4.897 4.883 1.00 0.00 O ATOM 484 OE2 GLU A 30 12.199 -3.186 4.307 1.00 0.00 O ATOM 0 H GLU A 30 9.718 -7.941 1.653 1.00 0.00 H new ATOM 0 HA GLU A 30 9.078 -5.265 0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.803 -6.013 3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.369 -6.484 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.910 -4.152 1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.281 -3.626 2.306 1.00 0.00 H new ATOM 491 N ASN A 31 11.938 -6.364 -0.321 1.00 0.00 N ATOM 492 CA ASN A 31 12.956 -6.019 -1.360 1.00 0.00 C ATOM 493 C ASN A 31 12.230 -5.571 -2.628 1.00 0.00 C ATOM 494 O ASN A 31 12.588 -4.597 -3.266 1.00 0.00 O ATOM 495 CB ASN A 31 13.735 -7.312 -1.609 1.00 0.00 C ATOM 496 CG ASN A 31 14.947 -7.365 -0.679 1.00 0.00 C ATOM 497 OD1 ASN A 31 14.882 -6.926 0.452 1.00 0.00 O ATOM 498 ND2 ASN A 31 16.061 -7.890 -1.110 1.00 0.00 N ATOM 0 H ASN A 31 12.065 -7.270 0.131 1.00 0.00 H new ATOM 0 HA ASN A 31 13.622 -5.213 -1.054 1.00 0.00 H new ATOM 0 HB2 ASN A 31 13.092 -8.175 -1.436 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.059 -7.359 -2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 31 16.876 -7.931 -0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 31 16.117 -8.259 -2.059 1.00 0.00 H new ATOM 505 N MET A 32 11.177 -6.255 -2.967 1.00 0.00 N ATOM 506 CA MET A 32 10.397 -5.852 -4.156 1.00 0.00 C ATOM 507 C MET A 32 9.691 -4.535 -3.852 1.00 0.00 C ATOM 508 O MET A 32 9.589 -3.667 -4.695 1.00 0.00 O ATOM 509 CB MET A 32 9.386 -6.974 -4.380 1.00 0.00 C ATOM 510 CG MET A 32 9.644 -7.617 -5.743 1.00 0.00 C ATOM 511 SD MET A 32 10.167 -9.337 -5.515 1.00 0.00 S ATOM 512 CE MET A 32 11.123 -9.484 -7.043 1.00 0.00 C ATOM 0 H MET A 32 10.826 -7.074 -2.471 1.00 0.00 H new ATOM 0 HA MET A 32 11.014 -5.703 -5.042 1.00 0.00 H new ATOM 0 HB2 MET A 32 9.472 -7.720 -3.590 1.00 0.00 H new ATOM 0 HB3 MET A 32 8.371 -6.579 -4.337 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.740 -7.579 -6.351 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.413 -7.061 -6.279 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.595 -10.134 -7.741 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.249 -8.498 -7.490 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.102 -9.909 -6.820 1.00 0.00 H new ATOM 522 N ILE A 33 9.216 -4.367 -2.641 1.00 0.00 N ATOM 523 CA ILE A 33 8.542 -3.087 -2.303 1.00 0.00 C ATOM 524 C ILE A 33 9.583 -1.979 -2.218 1.00 0.00 C ATOM 525 O ILE A 33 9.305 -0.838 -2.502 1.00 0.00 O ATOM 526 CB ILE A 33 7.871 -3.275 -0.950 1.00 0.00 C ATOM 527 CG1 ILE A 33 6.786 -4.344 -1.073 1.00 0.00 C ATOM 528 CG2 ILE A 33 7.235 -1.939 -0.528 1.00 0.00 C ATOM 529 CD1 ILE A 33 6.126 -4.555 0.285 1.00 0.00 C ATOM 0 H ILE A 33 9.267 -5.052 -1.887 1.00 0.00 H new ATOM 0 HA ILE A 33 7.807 -2.815 -3.060 1.00 0.00 H new ATOM 0 HB ILE A 33 8.602 -3.588 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.041 -4.039 -1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.220 -5.279 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.749 -2.057 0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.009 -1.175 -0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.496 -1.638 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.352 -5.317 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.875 -4.879 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.678 -3.620 0.621 1.00 0.00 H new ATOM 541 N LYS A 34 10.793 -2.305 -1.842 1.00 0.00 N ATOM 542 CA LYS A 34 11.844 -1.256 -1.761 1.00 0.00 C ATOM 543 C LYS A 34 11.890 -0.536 -3.109 1.00 0.00 C ATOM 544 O LYS A 34 11.955 0.678 -3.192 1.00 0.00 O ATOM 545 CB LYS A 34 13.149 -2.004 -1.498 1.00 0.00 C ATOM 546 CG LYS A 34 13.164 -2.504 -0.052 1.00 0.00 C ATOM 547 CD LYS A 34 14.249 -1.764 0.733 1.00 0.00 C ATOM 548 CE LYS A 34 13.627 -0.570 1.462 1.00 0.00 C ATOM 549 NZ LYS A 34 13.809 0.581 0.534 1.00 0.00 N ATOM 0 H LYS A 34 11.094 -3.246 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 34 11.662 -0.517 -0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.245 -2.844 -2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.000 -1.347 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.191 -2.341 0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.352 -3.577 -0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.717 -2.438 1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.033 -1.423 0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.572 -0.743 1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.120 -0.389 2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.488 1.254 0.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.170 0.237 -0.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.896 1.057 0.388 1.00 0.00 H new ATOM 563 N GLN A 35 11.811 -1.297 -4.170 1.00 0.00 N ATOM 564 CA GLN A 35 11.803 -0.693 -5.528 1.00 0.00 C ATOM 565 C GLN A 35 10.424 -0.084 -5.794 1.00 0.00 C ATOM 566 O GLN A 35 10.306 1.058 -6.189 1.00 0.00 O ATOM 567 CB GLN A 35 12.079 -1.851 -6.486 1.00 0.00 C ATOM 568 CG GLN A 35 13.553 -1.833 -6.892 1.00 0.00 C ATOM 569 CD GLN A 35 13.779 -2.823 -8.037 1.00 0.00 C ATOM 570 OE1 GLN A 35 13.420 -2.556 -9.167 1.00 0.00 O ATOM 571 NE2 GLN A 35 14.362 -3.963 -7.790 1.00 0.00 N ATOM 0 H GLN A 35 11.752 -2.315 -4.150 1.00 0.00 H new ATOM 0 HA GLN A 35 12.542 0.099 -5.645 1.00 0.00 H new ATOM 0 HB2 GLN A 35 11.833 -2.799 -6.008 1.00 0.00 H new ATOM 0 HB3 GLN A 35 11.446 -1.766 -7.369 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.844 -0.829 -7.202 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.179 -2.097 -6.040 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.663 -4.187 -6.842 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.517 -4.631 -8.545 1.00 0.00 H new ATOM 580 N ILE A 36 9.372 -0.833 -5.553 1.00 0.00 N ATOM 581 CA ILE A 36 8.000 -0.280 -5.767 1.00 0.00 C ATOM 582 C ILE A 36 7.872 1.040 -5.006 1.00 0.00 C ATOM 583 O ILE A 36 7.315 2.007 -5.486 1.00 0.00 O ATOM 584 CB ILE A 36 7.046 -1.297 -5.156 1.00 0.00 C ATOM 585 CG1 ILE A 36 7.139 -2.611 -5.920 1.00 0.00 C ATOM 586 CG2 ILE A 36 5.611 -0.770 -5.238 1.00 0.00 C ATOM 587 CD1 ILE A 36 6.641 -3.744 -5.033 1.00 0.00 C ATOM 0 H ILE A 36 9.406 -1.796 -5.220 1.00 0.00 H new ATOM 0 HA ILE A 36 7.790 -0.103 -6.822 1.00 0.00 H new ATOM 0 HB ILE A 36 7.318 -1.460 -4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.543 -2.558 -6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.169 -2.797 -6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.930 -1.500 -4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.537 0.170 -4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.343 -0.604 -6.282 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.706 -4.687 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.256 -3.800 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.604 -3.558 -4.752 1.00 0.00 H new ATOM 599 N ASP A 37 8.385 1.059 -3.802 1.00 0.00 N ATOM 600 CA ASP A 37 8.311 2.277 -2.954 1.00 0.00 C ATOM 601 C ASP A 37 8.808 3.496 -3.733 1.00 0.00 C ATOM 602 O ASP A 37 8.101 4.468 -3.909 1.00 0.00 O ATOM 603 CB ASP A 37 9.244 1.993 -1.775 1.00 0.00 C ATOM 604 CG ASP A 37 8.416 1.568 -0.560 1.00 0.00 C ATOM 605 OD1 ASP A 37 7.296 2.034 -0.437 1.00 0.00 O ATOM 606 OD2 ASP A 37 8.918 0.783 0.229 1.00 0.00 O ATOM 0 H ASP A 37 8.859 0.267 -3.368 1.00 0.00 H new ATOM 0 HA ASP A 37 7.292 2.493 -2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.952 1.207 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.828 2.882 -1.537 1.00 0.00 H new ATOM 611 N ASP A 38 10.025 3.443 -4.209 1.00 0.00 N ATOM 612 CA ASP A 38 10.575 4.591 -4.986 1.00 0.00 C ATOM 613 C ASP A 38 9.829 4.722 -6.315 1.00 0.00 C ATOM 614 O ASP A 38 9.562 5.809 -6.790 1.00 0.00 O ATOM 615 CB ASP A 38 12.044 4.238 -5.229 1.00 0.00 C ATOM 616 CG ASP A 38 12.805 5.490 -5.672 1.00 0.00 C ATOM 617 OD1 ASP A 38 12.280 6.577 -5.490 1.00 0.00 O ATOM 618 OD2 ASP A 38 13.901 5.341 -6.187 1.00 0.00 O ATOM 0 H ASP A 38 10.661 2.654 -4.093 1.00 0.00 H new ATOM 0 HA ASP A 38 10.468 5.540 -4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.487 3.834 -4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.121 3.464 -5.992 1.00 0.00 H new ATOM 623 N THR A 39 9.489 3.615 -6.910 1.00 0.00 N ATOM 624 CA THR A 39 8.754 3.647 -8.206 1.00 0.00 C ATOM 625 C THR A 39 7.400 4.340 -8.042 1.00 0.00 C ATOM 626 O THR A 39 7.067 5.254 -8.770 1.00 0.00 O ATOM 627 CB THR A 39 8.545 2.193 -8.558 1.00 0.00 C ATOM 628 OG1 THR A 39 9.789 1.509 -8.514 1.00 0.00 O ATOM 629 CG2 THR A 39 7.967 2.119 -9.957 1.00 0.00 C ATOM 0 H THR A 39 9.690 2.681 -6.552 1.00 0.00 H new ATOM 0 HA THR A 39 9.301 4.195 -8.973 1.00 0.00 H new ATOM 0 HB THR A 39 7.863 1.727 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.000 1.273 -7.586 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.808 1.076 -10.230 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.016 2.650 -9.986 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.661 2.578 -10.662 1.00 0.00 H new ATOM 637 N LEU A 40 6.611 3.906 -7.094 1.00 0.00 N ATOM 638 CA LEU A 40 5.272 4.533 -6.888 1.00 0.00 C ATOM 639 C LEU A 40 5.427 5.906 -6.229 1.00 0.00 C ATOM 640 O LEU A 40 4.657 6.812 -6.473 1.00 0.00 O ATOM 641 CB LEU A 40 4.508 3.567 -5.972 1.00 0.00 C ATOM 642 CG LEU A 40 5.142 3.542 -4.577 1.00 0.00 C ATOM 643 CD1 LEU A 40 4.558 4.673 -3.728 1.00 0.00 C ATOM 644 CD2 LEU A 40 4.845 2.198 -3.906 1.00 0.00 C ATOM 0 H LEU A 40 6.836 3.145 -6.454 1.00 0.00 H new ATOM 0 HA LEU A 40 4.743 4.694 -7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.464 3.873 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.517 2.565 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 40 6.220 3.675 -4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.010 4.654 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.768 5.631 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.480 4.541 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.296 2.179 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.767 2.066 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.261 1.391 -4.509 1.00 0.00 H new ATOM 656 N GLU A 41 6.421 6.065 -5.400 1.00 0.00 N ATOM 657 CA GLU A 41 6.627 7.379 -4.732 1.00 0.00 C ATOM 658 C GLU A 41 6.883 8.462 -5.784 1.00 0.00 C ATOM 659 O GLU A 41 6.699 9.637 -5.537 1.00 0.00 O ATOM 660 CB GLU A 41 7.855 7.174 -3.843 1.00 0.00 C ATOM 661 CG GLU A 41 8.276 8.510 -3.228 1.00 0.00 C ATOM 662 CD GLU A 41 9.157 8.252 -2.004 1.00 0.00 C ATOM 663 OE1 GLU A 41 10.310 7.901 -2.193 1.00 0.00 O ATOM 664 OE2 GLU A 41 8.664 8.408 -0.899 1.00 0.00 O ATOM 0 H GLU A 41 7.099 5.342 -5.157 1.00 0.00 H new ATOM 0 HA GLU A 41 5.761 7.702 -4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.630 6.455 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.675 6.758 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.819 9.105 -3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.395 9.084 -2.941 1.00 0.00 H new ATOM 671 N ASN A 42 7.301 8.073 -6.958 1.00 0.00 N ATOM 672 CA ASN A 42 7.563 9.077 -8.028 1.00 0.00 C ATOM 673 C ASN A 42 6.313 9.263 -8.895 1.00 0.00 C ATOM 674 O ASN A 42 5.958 10.366 -9.261 1.00 0.00 O ATOM 675 CB ASN A 42 8.707 8.488 -8.853 1.00 0.00 C ATOM 676 CG ASN A 42 9.046 9.436 -10.005 1.00 0.00 C ATOM 677 OD1 ASN A 42 8.261 9.610 -10.915 1.00 0.00 O ATOM 678 ND2 ASN A 42 10.191 10.062 -10.001 1.00 0.00 N ATOM 0 H ASN A 42 7.472 7.103 -7.222 1.00 0.00 H new ATOM 0 HA ASN A 42 7.817 10.057 -7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.583 8.336 -8.223 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.422 7.511 -9.244 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.427 10.698 -10.763 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.850 9.915 -9.236 1.00 0.00 H new ATOM 685 N ARG A 43 5.645 8.190 -9.227 1.00 0.00 N ATOM 686 CA ARG A 43 4.419 8.300 -10.071 1.00 0.00 C ATOM 687 C ARG A 43 3.164 8.304 -9.189 1.00 0.00 C ATOM 688 O ARG A 43 3.243 8.182 -7.984 1.00 0.00 O ATOM 689 CB ARG A 43 4.445 7.058 -10.965 1.00 0.00 C ATOM 690 CG ARG A 43 4.560 7.484 -12.432 1.00 0.00 C ATOM 691 CD ARG A 43 5.267 6.387 -13.233 1.00 0.00 C ATOM 692 NE ARG A 43 6.449 7.058 -13.845 1.00 0.00 N ATOM 693 CZ ARG A 43 7.008 6.555 -14.914 1.00 0.00 C ATOM 694 NH1 ARG A 43 6.328 6.459 -16.024 1.00 0.00 N ATOM 695 NH2 ARG A 43 8.247 6.146 -14.871 1.00 0.00 N ATOM 0 H ARG A 43 5.896 7.241 -8.950 1.00 0.00 H new ATOM 0 HA ARG A 43 4.398 9.222 -10.652 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.286 6.420 -10.694 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.539 6.471 -10.816 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.569 7.669 -12.846 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.116 8.418 -12.507 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.571 5.562 -12.589 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.610 5.970 -13.997 1.00 0.00 H new ATOM 0 HE ARG A 43 6.822 7.911 -13.429 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.359 6.777 -16.058 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.765 6.066 -16.858 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.778 6.219 -14.003 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.684 5.753 -15.705 1.00 0.00 H new ATOM 709 N GLU A 44 2.007 8.445 -9.782 1.00 0.00 N ATOM 710 CA GLU A 44 0.751 8.459 -8.975 1.00 0.00 C ATOM 711 C GLU A 44 -0.005 7.137 -9.140 1.00 0.00 C ATOM 712 O GLU A 44 -0.622 6.644 -8.216 1.00 0.00 O ATOM 713 CB GLU A 44 -0.069 9.621 -9.541 1.00 0.00 C ATOM 714 CG GLU A 44 0.362 10.925 -8.864 1.00 0.00 C ATOM 715 CD GLU A 44 1.850 11.167 -9.125 1.00 0.00 C ATOM 716 OE1 GLU A 44 2.221 11.254 -10.284 1.00 0.00 O ATOM 717 OE2 GLU A 44 2.592 11.262 -8.162 1.00 0.00 O ATOM 0 H GLU A 44 1.878 8.551 -10.788 1.00 0.00 H new ATOM 0 HA GLU A 44 0.948 8.578 -7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.077 9.692 -10.619 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.132 9.446 -9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.226 11.758 -9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.174 10.870 -7.792 1.00 0.00 H new ATOM 724 N LEU A 45 0.042 6.556 -10.307 1.00 0.00 N ATOM 725 CA LEU A 45 -0.667 5.263 -10.530 1.00 0.00 C ATOM 726 C LEU A 45 0.349 4.131 -10.654 1.00 0.00 C ATOM 727 O LEU A 45 1.292 4.215 -11.416 1.00 0.00 O ATOM 728 CB LEU A 45 -1.424 5.446 -11.845 1.00 0.00 C ATOM 729 CG LEU A 45 -2.185 4.161 -12.197 1.00 0.00 C ATOM 730 CD1 LEU A 45 -3.063 3.730 -11.021 1.00 0.00 C ATOM 731 CD2 LEU A 45 -3.079 4.433 -13.409 1.00 0.00 C ATOM 0 H LEU A 45 0.542 6.921 -11.118 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.337 5.009 -9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.121 6.279 -11.759 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.726 5.695 -12.644 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.470 3.369 -12.420 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.598 2.817 -11.282 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.437 3.546 -10.148 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.780 4.519 -10.794 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.625 3.526 -13.669 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.786 5.227 -13.169 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.463 4.740 -14.254 1.00 0.00 H new ATOM 743 N ILE A 46 0.174 3.073 -9.913 1.00 0.00 N ATOM 744 CA ILE A 46 1.153 1.950 -10.003 1.00 0.00 C ATOM 745 C ILE A 46 0.458 0.615 -10.276 1.00 0.00 C ATOM 746 O ILE A 46 -0.369 0.152 -9.515 1.00 0.00 O ATOM 747 CB ILE A 46 1.910 1.891 -8.665 1.00 0.00 C ATOM 748 CG1 ILE A 46 1.021 2.343 -7.497 1.00 0.00 C ATOM 749 CG2 ILE A 46 3.147 2.790 -8.747 1.00 0.00 C ATOM 750 CD1 ILE A 46 1.555 1.742 -6.194 1.00 0.00 C ATOM 0 H ILE A 46 -0.594 2.936 -9.256 1.00 0.00 H new ATOM 0 HA ILE A 46 1.836 2.125 -10.834 1.00 0.00 H new ATOM 0 HB ILE A 46 2.206 0.858 -8.482 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.011 3.431 -7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.008 2.024 -7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.688 2.752 -7.801 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.797 2.443 -9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.838 3.816 -8.948 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.927 2.060 -5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.542 0.654 -6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.577 2.083 -6.028 1.00 0.00 H new ATOM 762 N LYS A 47 0.849 -0.020 -11.341 1.00 0.00 N ATOM 763 CA LYS A 47 0.294 -1.363 -11.691 1.00 0.00 C ATOM 764 C LYS A 47 1.408 -2.362 -11.391 1.00 0.00 C ATOM 765 O LYS A 47 2.426 -2.346 -12.041 1.00 0.00 O ATOM 766 CB LYS A 47 -0.033 -1.379 -13.208 1.00 0.00 C ATOM 767 CG LYS A 47 0.839 -0.394 -14.003 1.00 0.00 C ATOM 768 CD LYS A 47 0.237 1.016 -13.924 1.00 0.00 C ATOM 769 CE LYS A 47 1.255 2.038 -14.437 1.00 0.00 C ATOM 770 NZ LYS A 47 2.000 2.491 -13.232 1.00 0.00 N ATOM 0 H LYS A 47 1.542 0.337 -11.999 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.613 -1.601 -11.134 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.113 -2.386 -13.598 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.084 -1.130 -13.354 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.853 -0.389 -13.604 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.907 -0.712 -15.043 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.675 1.067 -14.518 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.039 1.247 -12.895 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.927 1.590 -15.169 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.759 2.874 -14.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.759 3.142 -13.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.349 2.981 -12.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.413 1.668 -12.749 1.00 0.00 H new ATOM 784 N VAL A 48 1.286 -3.173 -10.378 1.00 0.00 N ATOM 785 CA VAL A 48 2.411 -4.080 -10.041 1.00 0.00 C ATOM 786 C VAL A 48 2.158 -5.506 -10.535 1.00 0.00 C ATOM 787 O VAL A 48 1.051 -5.983 -10.530 1.00 0.00 O ATOM 788 CB VAL A 48 2.445 -4.092 -8.508 1.00 0.00 C ATOM 789 CG1 VAL A 48 3.702 -4.801 -8.059 1.00 0.00 C ATOM 790 CG2 VAL A 48 2.430 -2.673 -7.922 1.00 0.00 C ATOM 0 H VAL A 48 0.465 -3.245 -9.777 1.00 0.00 H new ATOM 0 HA VAL A 48 3.338 -3.742 -10.504 1.00 0.00 H new ATOM 0 HB VAL A 48 1.554 -4.608 -8.150 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.741 -4.818 -6.970 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.698 -5.823 -8.438 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.575 -4.274 -8.445 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.455 -2.728 -6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.302 -2.123 -8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.523 -2.158 -8.238 1.00 0.00 H new ATOM 800 N HIS A 49 3.191 -6.201 -10.931 1.00 0.00 N ATOM 801 CA HIS A 49 3.017 -7.609 -11.396 1.00 0.00 C ATOM 802 C HIS A 49 3.405 -8.578 -10.269 1.00 0.00 C ATOM 803 O HIS A 49 4.570 -8.777 -9.984 1.00 0.00 O ATOM 804 CB HIS A 49 3.973 -7.748 -12.581 1.00 0.00 C ATOM 805 CG HIS A 49 3.639 -8.992 -13.358 1.00 0.00 C ATOM 806 ND1 HIS A 49 3.998 -10.256 -12.919 1.00 0.00 N ATOM 807 CD2 HIS A 49 2.984 -9.180 -14.549 1.00 0.00 C ATOM 808 CE1 HIS A 49 3.560 -11.142 -13.832 1.00 0.00 C ATOM 809 NE2 HIS A 49 2.935 -10.538 -14.847 1.00 0.00 N ATOM 0 H HIS A 49 4.150 -5.854 -10.953 1.00 0.00 H new ATOM 0 HA HIS A 49 1.989 -7.838 -11.675 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.897 -6.873 -13.227 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.003 -7.794 -12.227 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.569 -8.393 -15.162 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.697 -12.210 -13.754 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.513 -10.978 -15.665 1.00 0.00 H new ATOM 817 N VAL A 50 2.439 -9.177 -9.623 1.00 0.00 N ATOM 818 CA VAL A 50 2.751 -10.128 -8.509 1.00 0.00 C ATOM 819 C VAL A 50 2.666 -11.565 -9.001 1.00 0.00 C ATOM 820 O VAL A 50 1.809 -11.919 -9.786 1.00 0.00 O ATOM 821 CB VAL A 50 1.690 -9.846 -7.441 1.00 0.00 C ATOM 822 CG1 VAL A 50 1.816 -10.853 -6.294 1.00 0.00 C ATOM 823 CG2 VAL A 50 1.887 -8.431 -6.896 1.00 0.00 C ATOM 0 H VAL A 50 1.446 -9.050 -9.817 1.00 0.00 H new ATOM 0 HA VAL A 50 3.760 -9.996 -8.119 1.00 0.00 H new ATOM 0 HB VAL A 50 0.700 -9.938 -7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.057 -10.643 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.675 -11.863 -6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.806 -10.771 -5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.134 -8.226 -6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.880 -8.346 -6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.788 -7.711 -7.708 1.00 0.00 H new ATOM 833 N LEU A 51 3.576 -12.389 -8.568 1.00 0.00 N ATOM 834 CA LEU A 51 3.577 -13.792 -9.036 1.00 0.00 C ATOM 835 C LEU A 51 2.917 -14.747 -8.034 1.00 0.00 C ATOM 836 O LEU A 51 3.254 -15.913 -7.970 1.00 0.00 O ATOM 837 CB LEU A 51 5.053 -14.125 -9.193 1.00 0.00 C ATOM 838 CG LEU A 51 5.453 -14.109 -10.672 1.00 0.00 C ATOM 839 CD1 LEU A 51 4.545 -15.047 -11.476 1.00 0.00 C ATOM 840 CD2 LEU A 51 5.324 -12.684 -11.208 1.00 0.00 C ATOM 0 H LEU A 51 4.317 -12.148 -7.910 1.00 0.00 H new ATOM 0 HA LEU A 51 3.004 -13.906 -9.956 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.655 -13.404 -8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.258 -15.107 -8.766 1.00 0.00 H new ATOM 0 HG LEU A 51 6.484 -14.450 -10.771 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.839 -15.027 -12.525 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.640 -16.063 -11.092 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.510 -14.719 -11.383 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.607 -12.664 -12.260 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.292 -12.348 -11.103 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.980 -12.022 -10.643 1.00 0.00 H new ATOM 852 N GLN A 52 1.979 -14.283 -7.262 1.00 0.00 N ATOM 853 CA GLN A 52 1.313 -15.192 -6.281 1.00 0.00 C ATOM 854 C GLN A 52 0.554 -16.314 -7.004 1.00 0.00 C ATOM 855 O GLN A 52 0.160 -17.286 -6.396 1.00 0.00 O ATOM 856 CB GLN A 52 0.339 -14.309 -5.499 1.00 0.00 C ATOM 857 CG GLN A 52 0.628 -14.429 -3.998 1.00 0.00 C ATOM 858 CD GLN A 52 0.613 -15.903 -3.575 1.00 0.00 C ATOM 859 OE1 GLN A 52 1.572 -16.396 -3.016 1.00 0.00 O ATOM 860 NE2 GLN A 52 -0.441 -16.631 -3.821 1.00 0.00 N ATOM 0 H GLN A 52 1.643 -13.320 -7.264 1.00 0.00 H new ATOM 0 HA GLN A 52 2.040 -15.674 -5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.438 -13.271 -5.817 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.688 -14.610 -5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.598 -13.987 -3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.118 -13.872 -3.430 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.247 -16.219 -4.290 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.459 -17.613 -3.544 1.00 0.00 H new ATOM 869 N ASN A 53 0.352 -16.183 -8.294 1.00 0.00 N ATOM 870 CA ASN A 53 -0.377 -17.237 -9.079 1.00 0.00 C ATOM 871 C ASN A 53 -1.847 -17.325 -8.648 1.00 0.00 C ATOM 872 O ASN A 53 -2.742 -17.122 -9.444 1.00 0.00 O ATOM 873 CB ASN A 53 0.347 -18.565 -8.802 1.00 0.00 C ATOM 874 CG ASN A 53 1.859 -18.379 -8.965 1.00 0.00 C ATOM 875 OD1 ASN A 53 2.321 -17.947 -10.003 1.00 0.00 O ATOM 876 ND2 ASN A 53 2.654 -18.687 -7.977 1.00 0.00 N ATOM 0 H ASN A 53 0.664 -15.383 -8.844 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.375 -16.999 -10.143 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.121 -18.909 -7.793 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.010 -19.334 -9.488 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.662 -18.565 -8.076 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.268 -19.050 -7.105 1.00 0.00 H new ATOM 883 N ASN A 54 -2.108 -17.630 -7.406 1.00 0.00 N ATOM 884 CA ASN A 54 -3.527 -17.733 -6.950 1.00 0.00 C ATOM 885 C ASN A 54 -4.253 -16.403 -7.176 1.00 0.00 C ATOM 886 O ASN A 54 -3.662 -15.343 -7.112 1.00 0.00 O ATOM 887 CB ASN A 54 -3.449 -18.058 -5.459 1.00 0.00 C ATOM 888 CG ASN A 54 -3.917 -19.494 -5.223 1.00 0.00 C ATOM 889 OD1 ASN A 54 -3.112 -20.388 -5.053 1.00 0.00 O ATOM 890 ND2 ASN A 54 -5.196 -19.756 -5.204 1.00 0.00 N ATOM 0 H ASN A 54 -1.405 -17.812 -6.689 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.081 -18.494 -7.500 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.426 -17.935 -5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.070 -17.364 -4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.519 -20.711 -5.046 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.872 -19.006 -5.347 1.00 0.00 H new ATOM 897 N PHE A 55 -5.528 -16.454 -7.447 1.00 0.00 N ATOM 898 CA PHE A 55 -6.293 -15.196 -7.687 1.00 0.00 C ATOM 899 C PHE A 55 -6.752 -14.578 -6.362 1.00 0.00 C ATOM 900 O PHE A 55 -6.472 -13.431 -6.074 1.00 0.00 O ATOM 901 CB PHE A 55 -7.499 -15.624 -8.525 1.00 0.00 C ATOM 902 CG PHE A 55 -7.137 -15.576 -9.990 1.00 0.00 C ATOM 903 CD1 PHE A 55 -7.237 -14.370 -10.694 1.00 0.00 C ATOM 904 CD2 PHE A 55 -6.704 -16.735 -10.645 1.00 0.00 C ATOM 905 CE1 PHE A 55 -6.902 -14.323 -12.052 1.00 0.00 C ATOM 906 CE2 PHE A 55 -6.369 -16.687 -12.003 1.00 0.00 C ATOM 907 CZ PHE A 55 -6.468 -15.481 -12.707 1.00 0.00 C ATOM 0 H PHE A 55 -6.074 -17.313 -7.513 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.689 -14.440 -8.189 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.808 -16.632 -8.249 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.345 -14.966 -8.327 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.573 -13.476 -10.189 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.628 -17.666 -10.103 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.978 -13.392 -12.595 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.034 -17.581 -12.508 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.210 -15.444 -13.755 1.00 0.00 H new ATOM 917 N ASP A 56 -7.462 -15.321 -5.555 1.00 0.00 N ATOM 918 CA ASP A 56 -7.939 -14.757 -4.258 1.00 0.00 C ATOM 919 C ASP A 56 -6.765 -14.462 -3.331 1.00 0.00 C ATOM 920 O ASP A 56 -6.860 -13.675 -2.409 1.00 0.00 O ATOM 921 CB ASP A 56 -8.851 -15.828 -3.662 1.00 0.00 C ATOM 922 CG ASP A 56 -10.296 -15.566 -4.094 1.00 0.00 C ATOM 923 OD1 ASP A 56 -10.683 -16.068 -5.136 1.00 0.00 O ATOM 924 OD2 ASP A 56 -10.990 -14.866 -3.375 1.00 0.00 O ATOM 0 H ASP A 56 -7.731 -16.288 -5.736 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.465 -13.812 -4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.534 -16.817 -3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.778 -15.819 -2.574 1.00 0.00 H new ATOM 929 N ASP A 57 -5.660 -15.073 -3.586 1.00 0.00 N ATOM 930 CA ASP A 57 -4.459 -14.827 -2.740 1.00 0.00 C ATOM 931 C ASP A 57 -3.800 -13.521 -3.180 1.00 0.00 C ATOM 932 O ASP A 57 -3.392 -12.715 -2.369 1.00 0.00 O ATOM 933 CB ASP A 57 -3.532 -16.015 -2.991 1.00 0.00 C ATOM 934 CG ASP A 57 -2.422 -16.028 -1.938 1.00 0.00 C ATOM 935 OD1 ASP A 57 -1.918 -14.962 -1.623 1.00 0.00 O ATOM 936 OD2 ASP A 57 -2.096 -17.104 -1.463 1.00 0.00 O ATOM 0 H ASP A 57 -5.526 -15.739 -4.347 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.700 -14.736 -1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.097 -16.946 -2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.100 -15.948 -3.989 1.00 0.00 H new ATOM 941 N LYS A 58 -3.717 -13.298 -4.465 1.00 0.00 N ATOM 942 CA LYS A 58 -3.107 -12.034 -4.964 1.00 0.00 C ATOM 943 C LYS A 58 -3.829 -10.845 -4.330 1.00 0.00 C ATOM 944 O LYS A 58 -3.229 -9.845 -3.992 1.00 0.00 O ATOM 945 CB LYS A 58 -3.330 -12.056 -6.475 1.00 0.00 C ATOM 946 CG LYS A 58 -2.007 -12.356 -7.181 1.00 0.00 C ATOM 947 CD LYS A 58 -2.234 -12.393 -8.693 1.00 0.00 C ATOM 948 CE LYS A 58 -1.984 -13.810 -9.211 1.00 0.00 C ATOM 949 NZ LYS A 58 -3.178 -14.132 -10.041 1.00 0.00 N ATOM 0 H LYS A 58 -4.045 -13.937 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.049 -11.946 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.072 -12.812 -6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.723 -11.096 -6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.268 -11.594 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.608 -13.311 -6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.253 -12.083 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.565 -11.690 -9.189 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.068 -13.859 -9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.872 -14.517 -8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.881 -14.662 -10.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.842 -14.709 -9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.646 -13.250 -10.333 1.00 0.00 H new ATOM 963 N LYS A 59 -5.115 -10.962 -4.149 1.00 0.00 N ATOM 964 CA LYS A 59 -5.881 -9.857 -3.514 1.00 0.00 C ATOM 965 C LYS A 59 -5.394 -9.683 -2.074 1.00 0.00 C ATOM 966 O LYS A 59 -5.100 -8.589 -1.630 1.00 0.00 O ATOM 967 CB LYS A 59 -7.339 -10.321 -3.552 1.00 0.00 C ATOM 968 CG LYS A 59 -8.227 -9.303 -2.833 1.00 0.00 C ATOM 969 CD LYS A 59 -9.501 -9.993 -2.342 1.00 0.00 C ATOM 970 CE LYS A 59 -9.632 -9.807 -0.829 1.00 0.00 C ATOM 971 NZ LYS A 59 -10.317 -8.496 -0.662 1.00 0.00 N ATOM 0 H LYS A 59 -5.668 -11.777 -4.414 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.758 -8.898 -4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.666 -10.437 -4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.432 -11.298 -3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.690 -8.867 -1.991 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.481 -8.485 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.372 -9.575 -2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.470 -11.055 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.210 -10.615 -0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.655 -9.807 -0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.443 -8.297 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.740 -7.746 -1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.247 -8.528 -1.127 1.00 0.00 H new ATOM 985 N GLU A 60 -5.279 -10.765 -1.347 1.00 0.00 N ATOM 986 CA GLU A 60 -4.783 -10.667 0.056 1.00 0.00 C ATOM 987 C GLU A 60 -3.443 -9.928 0.064 1.00 0.00 C ATOM 988 O GLU A 60 -3.179 -9.094 0.912 1.00 0.00 O ATOM 989 CB GLU A 60 -4.602 -12.115 0.513 1.00 0.00 C ATOM 990 CG GLU A 60 -5.077 -12.260 1.960 1.00 0.00 C ATOM 991 CD GLU A 60 -4.780 -13.679 2.452 1.00 0.00 C ATOM 992 OE1 GLU A 60 -5.329 -14.608 1.881 1.00 0.00 O ATOM 993 OE2 GLU A 60 -4.011 -13.812 3.388 1.00 0.00 O ATOM 0 H GLU A 60 -5.506 -11.708 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.463 -10.122 0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.168 -12.785 -0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.554 -12.404 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.574 -11.530 2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.146 -12.056 2.026 1.00 0.00 H new ATOM 1000 N LEU A 61 -2.598 -10.215 -0.891 1.00 0.00 N ATOM 1001 CA LEU A 61 -1.287 -9.515 -0.947 1.00 0.00 C ATOM 1002 C LEU A 61 -1.527 -8.008 -0.981 1.00 0.00 C ATOM 1003 O LEU A 61 -0.847 -7.253 -0.321 1.00 0.00 O ATOM 1004 CB LEU A 61 -0.618 -9.994 -2.234 1.00 0.00 C ATOM 1005 CG LEU A 61 0.275 -11.194 -1.915 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -0.602 -12.403 -1.592 1.00 0.00 C ATOM 1007 CD2 LEU A 61 1.162 -11.512 -3.122 1.00 0.00 C ATOM 0 H LEU A 61 -2.760 -10.900 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.659 -9.727 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.373 -10.272 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.026 -9.190 -2.672 1.00 0.00 H new ATOM 0 HG LEU A 61 0.906 -10.960 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.031 -13.261 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.231 -12.177 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.232 -12.635 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.797 -12.367 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.535 -11.747 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.786 -10.649 -3.353 1.00 0.00 H new ATOM 1019 N ALA A 62 -2.513 -7.563 -1.719 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.800 -6.102 -1.746 1.00 0.00 C ATOM 1021 C ALA A 62 -3.060 -5.634 -0.319 1.00 0.00 C ATOM 1022 O ALA A 62 -2.783 -4.512 0.042 1.00 0.00 O ATOM 1023 CB ALA A 62 -4.051 -5.936 -2.601 1.00 0.00 C ATOM 0 H ALA A 62 -3.123 -8.142 -2.296 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.975 -5.518 -2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.314 -4.880 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.860 -6.318 -3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.875 -6.491 -2.152 1.00 0.00 H new ATOM 1029 N GLU A 63 -3.567 -6.505 0.511 1.00 0.00 N ATOM 1030 CA GLU A 63 -3.803 -6.111 1.926 1.00 0.00 C ATOM 1031 C GLU A 63 -2.472 -5.698 2.526 1.00 0.00 C ATOM 1032 O GLU A 63 -2.361 -4.760 3.290 1.00 0.00 O ATOM 1033 CB GLU A 63 -4.352 -7.364 2.614 1.00 0.00 C ATOM 1034 CG GLU A 63 -5.376 -6.960 3.676 1.00 0.00 C ATOM 1035 CD GLU A 63 -4.678 -6.797 5.029 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -4.187 -5.712 5.293 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -4.647 -7.761 5.778 1.00 0.00 O ATOM 0 H GLU A 63 -3.825 -7.463 0.272 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.498 -5.279 2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.816 -8.021 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.538 -7.925 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.861 -6.026 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.158 -7.716 3.748 1.00 0.00 H new ATOM 1044 N THR A 64 -1.464 -6.398 2.140 1.00 0.00 N ATOM 1045 CA THR A 64 -0.088 -6.094 2.621 1.00 0.00 C ATOM 1046 C THR A 64 0.568 -5.067 1.692 1.00 0.00 C ATOM 1047 O THR A 64 1.268 -4.176 2.130 1.00 0.00 O ATOM 1048 CB THR A 64 0.660 -7.429 2.555 1.00 0.00 C ATOM 1049 OG1 THR A 64 0.037 -8.361 3.429 1.00 0.00 O ATOM 1050 CG2 THR A 64 2.115 -7.222 2.978 1.00 0.00 C ATOM 0 H THR A 64 -1.526 -7.188 1.497 1.00 0.00 H new ATOM 0 HA THR A 64 -0.080 -5.674 3.627 1.00 0.00 H new ATOM 0 HB THR A 64 0.633 -7.812 1.535 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.513 -9.217 3.387 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.646 -8.173 2.931 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.591 -6.507 2.307 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.146 -6.839 3.998 1.00 0.00 H new ATOM 1058 N LEU A 65 0.341 -5.185 0.410 1.00 0.00 N ATOM 1059 CA LEU A 65 0.945 -4.216 -0.547 1.00 0.00 C ATOM 1060 C LEU A 65 0.269 -2.854 -0.395 1.00 0.00 C ATOM 1061 O LEU A 65 0.920 -1.846 -0.218 1.00 0.00 O ATOM 1062 CB LEU A 65 0.660 -4.798 -1.933 1.00 0.00 C ATOM 1063 CG LEU A 65 1.944 -5.375 -2.529 1.00 0.00 C ATOM 1064 CD1 LEU A 65 1.659 -5.916 -3.931 1.00 0.00 C ATOM 1065 CD2 LEU A 65 3.008 -4.284 -2.611 1.00 0.00 C ATOM 0 H LEU A 65 -0.237 -5.911 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 65 2.012 -4.072 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.100 -5.576 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.261 -4.023 -2.587 1.00 0.00 H new ATOM 0 HG LEU A 65 2.304 -6.184 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.575 -6.327 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.903 -6.699 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.296 -5.108 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.922 -4.698 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.649 -3.472 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.214 -3.901 -1.612 1.00 0.00 H new ATOM 1077 N SER A 66 -1.035 -2.820 -0.453 1.00 0.00 N ATOM 1078 CA SER A 66 -1.753 -1.522 -0.302 1.00 0.00 C ATOM 1079 C SER A 66 -1.437 -0.896 1.059 1.00 0.00 C ATOM 1080 O SER A 66 -1.102 0.269 1.151 1.00 0.00 O ATOM 1081 CB SER A 66 -3.236 -1.876 -0.398 1.00 0.00 C ATOM 1082 OG SER A 66 -3.950 -0.761 -0.912 1.00 0.00 O ATOM 0 H SER A 66 -1.633 -3.633 -0.598 1.00 0.00 H new ATOM 0 HA SER A 66 -1.457 -0.797 -1.060 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.374 -2.742 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.621 -2.148 0.585 1.00 0.00 H new ATOM 0 HG SER A 66 -3.549 0.068 -0.576 1.00 0.00 H new ATOM 1088 N GLU A 67 -1.543 -1.653 2.120 1.00 0.00 N ATOM 1089 CA GLU A 67 -1.248 -1.084 3.467 1.00 0.00 C ATOM 1090 C GLU A 67 0.210 -0.617 3.539 1.00 0.00 C ATOM 1091 O GLU A 67 0.526 0.360 4.189 1.00 0.00 O ATOM 1092 CB GLU A 67 -1.499 -2.232 4.447 1.00 0.00 C ATOM 1093 CG GLU A 67 -3.003 -2.495 4.548 1.00 0.00 C ATOM 1094 CD GLU A 67 -3.655 -1.423 5.424 1.00 0.00 C ATOM 1095 OE1 GLU A 67 -3.081 -1.094 6.448 1.00 0.00 O ATOM 1096 OE2 GLU A 67 -4.717 -0.950 5.054 1.00 0.00 O ATOM 0 H GLU A 67 -1.819 -2.635 2.112 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.867 -0.216 3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.983 -3.131 4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.096 -1.982 5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.451 -2.489 3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.182 -3.483 4.972 1.00 0.00 H new ATOM 1103 N ALA A 68 1.099 -1.305 2.875 1.00 0.00 N ATOM 1104 CA ALA A 68 2.535 -0.894 2.909 1.00 0.00 C ATOM 1105 C ALA A 68 2.799 0.199 1.870 1.00 0.00 C ATOM 1106 O ALA A 68 3.598 1.091 2.082 1.00 0.00 O ATOM 1107 CB ALA A 68 3.319 -2.161 2.565 1.00 0.00 C ATOM 0 H ALA A 68 0.896 -2.131 2.312 1.00 0.00 H new ATOM 0 HA ALA A 68 2.824 -0.486 3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.387 -1.941 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.105 -2.933 3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.025 -2.513 1.576 1.00 0.00 H new ATOM 1113 N THR A 69 2.134 0.139 0.749 1.00 0.00 N ATOM 1114 CA THR A 69 2.348 1.175 -0.304 1.00 0.00 C ATOM 1115 C THR A 69 1.608 2.469 0.053 1.00 0.00 C ATOM 1116 O THR A 69 1.628 3.425 -0.699 1.00 0.00 O ATOM 1117 CB THR A 69 1.763 0.568 -1.583 1.00 0.00 C ATOM 1118 OG1 THR A 69 0.408 0.208 -1.355 1.00 0.00 O ATOM 1119 CG2 THR A 69 2.569 -0.674 -1.973 1.00 0.00 C ATOM 0 H THR A 69 1.451 -0.582 0.516 1.00 0.00 H new ATOM 0 HA THR A 69 3.402 1.432 -0.412 1.00 0.00 H new ATOM 0 HB THR A 69 1.813 1.297 -2.391 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.373 -0.647 -0.878 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.153 -1.107 -2.883 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.608 -0.394 -2.146 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.520 -1.407 -1.168 1.00 0.00 H new ATOM 1127 N ARG A 70 0.944 2.516 1.181 1.00 0.00 N ATOM 1128 CA ARG A 70 0.201 3.757 1.549 1.00 0.00 C ATOM 1129 C ARG A 70 -0.702 4.169 0.386 1.00 0.00 C ATOM 1130 O ARG A 70 -1.020 5.328 0.202 1.00 0.00 O ATOM 1131 CB ARG A 70 1.280 4.811 1.797 1.00 0.00 C ATOM 1132 CG ARG A 70 0.631 6.094 2.320 1.00 0.00 C ATOM 1133 CD ARG A 70 1.676 6.931 3.063 1.00 0.00 C ATOM 1134 NE ARG A 70 1.010 7.345 4.328 1.00 0.00 N ATOM 1135 CZ ARG A 70 1.446 6.895 5.473 1.00 0.00 C ATOM 1136 NH1 ARG A 70 0.968 5.783 5.962 1.00 0.00 N ATOM 1137 NH2 ARG A 70 2.357 7.558 6.130 1.00 0.00 N ATOM 0 H ARG A 70 0.885 1.755 1.857 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.434 3.625 2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.008 4.439 2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.822 5.016 0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.214 6.666 1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.196 5.850 2.987 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.577 6.351 3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.979 7.797 2.475 1.00 0.00 H new ATOM 0 HE ARG A 70 0.213 7.981 4.300 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.254 5.266 5.449 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.309 5.431 6.857 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.729 8.428 5.749 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.698 7.206 7.025 1.00 0.00 H new ATOM 1151 N SER A 71 -1.100 3.215 -0.408 1.00 0.00 N ATOM 1152 CA SER A 71 -1.967 3.517 -1.577 1.00 0.00 C ATOM 1153 C SER A 71 -3.271 2.712 -1.485 1.00 0.00 C ATOM 1154 O SER A 71 -3.528 2.049 -0.500 1.00 0.00 O ATOM 1155 CB SER A 71 -1.138 3.071 -2.776 1.00 0.00 C ATOM 1156 OG SER A 71 0.178 3.596 -2.656 1.00 0.00 O ATOM 0 H SER A 71 -0.859 2.230 -0.295 1.00 0.00 H new ATOM 0 HA SER A 71 -2.253 4.567 -1.639 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.105 1.983 -2.826 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.598 3.419 -3.701 1.00 0.00 H new ATOM 0 HG SER A 71 0.680 3.074 -1.996 1.00 0.00 H new ATOM 1162 N GLU A 72 -4.098 2.766 -2.496 1.00 0.00 N ATOM 1163 CA GLU A 72 -5.381 2.003 -2.443 1.00 0.00 C ATOM 1164 C GLU A 72 -5.585 1.178 -3.722 1.00 0.00 C ATOM 1165 O GLU A 72 -5.536 1.696 -4.819 1.00 0.00 O ATOM 1166 CB GLU A 72 -6.470 3.071 -2.324 1.00 0.00 C ATOM 1167 CG GLU A 72 -7.218 2.893 -1.001 1.00 0.00 C ATOM 1168 CD GLU A 72 -7.872 1.510 -0.963 1.00 0.00 C ATOM 1169 OE1 GLU A 72 -8.425 1.109 -1.974 1.00 0.00 O ATOM 1170 OE2 GLU A 72 -7.807 0.874 0.077 1.00 0.00 O ATOM 0 H GLU A 72 -3.943 3.301 -3.350 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.396 1.297 -1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.026 4.065 -2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.165 2.992 -3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.528 3.003 -0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.977 3.668 -0.893 1.00 0.00 H new ATOM 1177 N LEU A 73 -5.810 -0.105 -3.588 1.00 0.00 N ATOM 1178 CA LEU A 73 -6.008 -0.965 -4.781 1.00 0.00 C ATOM 1179 C LEU A 73 -7.229 -0.559 -5.600 1.00 0.00 C ATOM 1180 O LEU A 73 -8.345 -0.879 -5.237 1.00 0.00 O ATOM 1181 CB LEU A 73 -6.301 -2.352 -4.198 1.00 0.00 C ATOM 1182 CG LEU A 73 -5.355 -3.401 -4.758 1.00 0.00 C ATOM 1183 CD1 LEU A 73 -5.992 -4.775 -4.551 1.00 0.00 C ATOM 1184 CD2 LEU A 73 -5.140 -3.223 -6.264 1.00 0.00 C ATOM 0 H LEU A 73 -5.864 -0.592 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.139 -0.905 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.208 -2.319 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.330 -2.632 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.397 -3.303 -4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.330 -5.546 -4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.153 -4.945 -3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.948 -4.815 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.458 -3.992 -6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.095 -3.312 -6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.713 -2.239 -6.457 1.00 0.00 H new ATOM 1196 N VAL A 74 -7.045 0.059 -6.733 1.00 0.00 N ATOM 1197 CA VAL A 74 -8.241 0.354 -7.558 1.00 0.00 C ATOM 1198 C VAL A 74 -8.677 -0.983 -8.171 1.00 0.00 C ATOM 1199 O VAL A 74 -9.840 -1.213 -8.426 1.00 0.00 O ATOM 1200 CB VAL A 74 -7.841 1.391 -8.618 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -7.640 2.742 -7.950 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -6.544 1.005 -9.300 1.00 0.00 C ATOM 0 H VAL A 74 -6.148 0.363 -7.112 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.072 0.774 -6.992 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.637 1.436 -9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.356 3.480 -8.700 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.568 3.052 -7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.852 2.664 -7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.287 1.758 -10.045 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.748 0.941 -8.558 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.663 0.038 -9.788 1.00 0.00 H new ATOM 1212 N GLN A 75 -7.747 -1.907 -8.351 1.00 0.00 N ATOM 1213 CA GLN A 75 -8.133 -3.256 -8.881 1.00 0.00 C ATOM 1214 C GLN A 75 -6.953 -4.165 -9.122 1.00 0.00 C ATOM 1215 O GLN A 75 -5.819 -3.794 -9.048 1.00 0.00 O ATOM 1216 CB GLN A 75 -8.921 -3.016 -10.174 1.00 0.00 C ATOM 1217 CG GLN A 75 -10.384 -3.402 -9.951 1.00 0.00 C ATOM 1218 CD GLN A 75 -10.622 -4.824 -10.462 1.00 0.00 C ATOM 1219 OE1 GLN A 75 -10.203 -5.782 -9.843 1.00 0.00 O ATOM 1220 NE2 GLN A 75 -11.284 -5.005 -11.572 1.00 0.00 N ATOM 0 H GLN A 75 -6.754 -1.783 -8.155 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.735 -3.776 -8.136 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -8.850 -1.969 -10.468 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.497 -3.605 -10.987 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.630 -3.340 -8.891 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.039 -2.703 -10.472 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.636 -4.202 -12.093 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.449 -5.950 -11.919 1.00 0.00 H new ATOM 1229 N VAL A 76 -7.255 -5.399 -9.346 1.00 0.00 N ATOM 1230 CA VAL A 76 -6.207 -6.415 -9.552 1.00 0.00 C ATOM 1231 C VAL A 76 -6.440 -7.123 -10.901 1.00 0.00 C ATOM 1232 O VAL A 76 -7.504 -7.656 -11.151 1.00 0.00 O ATOM 1233 CB VAL A 76 -6.416 -7.323 -8.335 1.00 0.00 C ATOM 1234 CG1 VAL A 76 -6.102 -8.789 -8.664 1.00 0.00 C ATOM 1235 CG2 VAL A 76 -5.498 -6.865 -7.201 1.00 0.00 C ATOM 0 H VAL A 76 -8.209 -5.756 -9.396 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.184 -6.044 -9.612 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.463 -7.253 -8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.261 -9.403 -7.778 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.758 -9.131 -9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.064 -8.876 -8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.643 -7.508 -6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.460 -6.924 -7.527 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.736 -5.835 -6.934 1.00 0.00 H new ATOM 1245 N ILE A 77 -5.465 -7.131 -11.766 1.00 0.00 N ATOM 1246 CA ILE A 77 -5.644 -7.797 -13.080 1.00 0.00 C ATOM 1247 C ILE A 77 -4.779 -9.070 -13.146 1.00 0.00 C ATOM 1248 O ILE A 77 -3.592 -9.013 -13.399 1.00 0.00 O ATOM 1249 CB ILE A 77 -5.193 -6.727 -14.089 1.00 0.00 C ATOM 1250 CG1 ILE A 77 -6.390 -5.841 -14.441 1.00 0.00 C ATOM 1251 CG2 ILE A 77 -4.653 -7.369 -15.366 1.00 0.00 C ATOM 1252 CD1 ILE A 77 -6.805 -5.024 -13.215 1.00 0.00 C ATOM 0 H ILE A 77 -4.551 -6.703 -11.617 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.664 -8.129 -13.275 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.397 -6.135 -13.637 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.132 -5.174 -15.264 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.224 -6.457 -14.779 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.342 -6.590 -16.061 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.799 -8.001 -15.123 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.433 -7.975 -15.826 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.658 -4.394 -13.469 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.081 -5.699 -12.405 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.972 -4.397 -12.897 1.00 0.00 H new ATOM 1264 N GLY A 78 -5.372 -10.215 -12.925 1.00 0.00 N ATOM 1265 CA GLY A 78 -4.597 -11.492 -12.981 1.00 0.00 C ATOM 1266 C GLY A 78 -3.324 -11.375 -12.139 1.00 0.00 C ATOM 1267 O GLY A 78 -3.375 -11.236 -10.933 1.00 0.00 O ATOM 0 H GLY A 78 -6.363 -10.321 -12.707 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.210 -12.315 -12.614 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.338 -11.724 -14.014 1.00 0.00 H new ATOM 1271 N SER A 79 -2.181 -11.432 -12.767 1.00 0.00 N ATOM 1272 CA SER A 79 -0.902 -11.325 -12.004 1.00 0.00 C ATOM 1273 C SER A 79 -0.489 -9.859 -11.857 1.00 0.00 C ATOM 1274 O SER A 79 0.639 -9.557 -11.522 1.00 0.00 O ATOM 1275 CB SER A 79 0.125 -12.089 -12.841 1.00 0.00 C ATOM 1276 OG SER A 79 -0.506 -13.196 -13.468 1.00 0.00 O ATOM 0 H SER A 79 -2.076 -11.548 -13.775 1.00 0.00 H new ATOM 0 HA SER A 79 -0.991 -11.730 -10.996 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.560 -11.430 -13.593 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.943 -12.433 -12.208 1.00 0.00 H new ATOM 0 HG SER A 79 0.151 -13.685 -14.006 1.00 0.00 H new ATOM 1282 N MET A 80 -1.388 -8.945 -12.102 1.00 0.00 N ATOM 1283 CA MET A 80 -1.031 -7.508 -11.971 1.00 0.00 C ATOM 1284 C MET A 80 -1.937 -6.827 -10.941 1.00 0.00 C ATOM 1285 O MET A 80 -3.125 -7.068 -10.893 1.00 0.00 O ATOM 1286 CB MET A 80 -1.261 -6.914 -13.362 1.00 0.00 C ATOM 1287 CG MET A 80 -0.169 -7.410 -14.312 1.00 0.00 C ATOM 1288 SD MET A 80 -0.862 -8.656 -15.428 1.00 0.00 S ATOM 1289 CE MET A 80 0.216 -8.314 -16.840 1.00 0.00 C ATOM 0 H MET A 80 -2.350 -9.132 -12.386 1.00 0.00 H new ATOM 0 HA MET A 80 -0.005 -7.368 -11.632 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.243 -7.204 -13.736 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.248 -5.825 -13.312 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.235 -6.576 -14.886 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.658 -7.835 -13.743 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.348 -7.785 -17.609 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.055 -7.697 -16.517 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.592 -9.253 -17.247 1.00 0.00 H new ATOM 1299 N ILE A 81 -1.391 -5.974 -10.122 1.00 0.00 N ATOM 1300 CA ILE A 81 -2.225 -5.276 -9.109 1.00 0.00 C ATOM 1301 C ILE A 81 -2.328 -3.793 -9.476 1.00 0.00 C ATOM 1302 O ILE A 81 -1.356 -3.157 -9.826 1.00 0.00 O ATOM 1303 CB ILE A 81 -1.487 -5.463 -7.783 1.00 0.00 C ATOM 1304 CG1 ILE A 81 -1.415 -6.955 -7.450 1.00 0.00 C ATOM 1305 CG2 ILE A 81 -2.242 -4.732 -6.669 1.00 0.00 C ATOM 1306 CD1 ILE A 81 -0.643 -7.150 -6.146 1.00 0.00 C ATOM 0 H ILE A 81 -0.401 -5.730 -10.111 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.241 -5.668 -9.053 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.479 -5.056 -7.867 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.420 -7.366 -7.355 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.925 -7.496 -8.260 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.715 -4.866 -5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -2.300 -3.669 -6.905 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.249 -5.140 -6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.592 -8.213 -5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.366 -6.754 -6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.152 -6.622 -5.339 1.00 0.00 H new ATOM 1318 N VAL A 82 -3.507 -3.255 -9.417 1.00 0.00 N ATOM 1319 CA VAL A 82 -3.717 -1.821 -9.779 1.00 0.00 C ATOM 1320 C VAL A 82 -3.934 -0.990 -8.514 1.00 0.00 C ATOM 1321 O VAL A 82 -4.935 -1.115 -7.841 1.00 0.00 O ATOM 1322 CB VAL A 82 -4.976 -1.830 -10.668 1.00 0.00 C ATOM 1323 CG1 VAL A 82 -5.129 -0.471 -11.344 1.00 0.00 C ATOM 1324 CG2 VAL A 82 -4.805 -2.893 -11.758 1.00 0.00 C ATOM 0 H VAL A 82 -4.351 -3.750 -9.130 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.863 -1.380 -10.293 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.852 -2.045 -10.057 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.019 -0.476 -11.973 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.226 0.304 -10.584 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.251 -0.269 -11.958 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.690 -2.908 -12.393 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.929 -2.657 -12.362 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.674 -3.871 -11.295 1.00 0.00 H new ATOM 1334 N ILE A 83 -2.993 -0.151 -8.176 1.00 0.00 N ATOM 1335 CA ILE A 83 -3.138 0.669 -6.937 1.00 0.00 C ATOM 1336 C ILE A 83 -2.846 2.142 -7.206 1.00 0.00 C ATOM 1337 O ILE A 83 -2.149 2.494 -8.137 1.00 0.00 O ATOM 1338 CB ILE A 83 -2.087 0.097 -5.987 1.00 0.00 C ATOM 1339 CG1 ILE A 83 -2.354 -1.393 -5.770 1.00 0.00 C ATOM 1340 CG2 ILE A 83 -2.143 0.829 -4.650 1.00 0.00 C ATOM 1341 CD1 ILE A 83 -1.183 -2.033 -5.025 1.00 0.00 C ATOM 0 H ILE A 83 -2.132 0.003 -8.701 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.151 0.626 -6.538 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.097 0.229 -6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.274 -1.526 -5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.499 -1.888 -6.730 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.391 0.416 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.946 1.889 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.132 0.705 -4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.383 -3.094 -4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.271 -1.915 -5.610 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.058 -1.547 -4.057 1.00 0.00 H new ATOM 1353 N TYR A 84 -3.366 3.002 -6.378 1.00 0.00 N ATOM 1354 CA TYR A 84 -3.117 4.455 -6.553 1.00 0.00 C ATOM 1355 C TYR A 84 -2.477 5.029 -5.284 1.00 0.00 C ATOM 1356 O TYR A 84 -3.099 5.120 -4.245 1.00 0.00 O ATOM 1357 CB TYR A 84 -4.503 5.063 -6.790 1.00 0.00 C ATOM 1358 CG TYR A 84 -4.430 6.574 -6.699 1.00 0.00 C ATOM 1359 CD1 TYR A 84 -3.619 7.293 -7.584 1.00 0.00 C ATOM 1360 CD2 TYR A 84 -5.176 7.250 -5.726 1.00 0.00 C ATOM 1361 CE1 TYR A 84 -3.553 8.688 -7.496 1.00 0.00 C ATOM 1362 CE2 TYR A 84 -5.109 8.645 -5.637 1.00 0.00 C ATOM 1363 CZ TYR A 84 -4.297 9.364 -6.523 1.00 0.00 C ATOM 1364 OH TYR A 84 -4.232 10.740 -6.435 1.00 0.00 O ATOM 0 H TYR A 84 -3.956 2.758 -5.583 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.436 4.671 -7.376 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.876 4.767 -7.771 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.208 4.680 -6.052 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.044 6.771 -8.335 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.803 6.695 -5.044 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.927 9.243 -8.179 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.683 9.167 -4.886 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.606 10.993 -5.725 1.00 0.00 H new ATOM 1374 N ARG A 85 -1.242 5.421 -5.373 1.00 0.00 N ATOM 1375 CA ARG A 85 -0.548 6.003 -4.188 1.00 0.00 C ATOM 1376 C ARG A 85 -0.985 7.457 -3.988 1.00 0.00 C ATOM 1377 O ARG A 85 -1.231 8.165 -4.943 1.00 0.00 O ATOM 1378 CB ARG A 85 0.949 5.908 -4.497 1.00 0.00 C ATOM 1379 CG ARG A 85 1.307 6.834 -5.663 1.00 0.00 C ATOM 1380 CD ARG A 85 1.634 8.231 -5.126 1.00 0.00 C ATOM 1381 NE ARG A 85 3.121 8.319 -5.154 1.00 0.00 N ATOM 1382 CZ ARG A 85 3.742 9.131 -4.340 1.00 0.00 C ATOM 1383 NH1 ARG A 85 3.970 8.774 -3.106 1.00 0.00 N ATOM 1384 NH2 ARG A 85 4.134 10.303 -4.761 1.00 0.00 N ATOM 0 H ARG A 85 -0.676 5.365 -6.220 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.789 5.474 -3.266 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.528 6.181 -3.615 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.212 4.880 -4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.161 6.434 -6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.476 6.889 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.181 9.007 -5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.250 8.364 -4.115 1.00 0.00 H new ATOM 0 HE ARG A 85 3.654 7.746 -5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.663 7.859 -2.775 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.455 9.410 -2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.955 10.585 -5.725 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.619 10.937 -4.126 1.00 0.00 H new ATOM 1398 N GLU A 86 -1.126 7.875 -2.749 1.00 0.00 N ATOM 1399 CA GLU A 86 -1.578 9.274 -2.432 1.00 0.00 C ATOM 1400 C GLU A 86 -0.999 10.309 -3.416 1.00 0.00 C ATOM 1401 O GLU A 86 -0.112 10.025 -4.195 1.00 0.00 O ATOM 1402 CB GLU A 86 -1.064 9.535 -1.009 1.00 0.00 C ATOM 1403 CG GLU A 86 0.454 9.756 -1.028 1.00 0.00 C ATOM 1404 CD GLU A 86 1.078 9.221 0.264 1.00 0.00 C ATOM 1405 OE1 GLU A 86 0.330 8.843 1.151 1.00 0.00 O ATOM 1406 OE2 GLU A 86 2.296 9.199 0.344 1.00 0.00 O ATOM 0 H GLU A 86 -0.944 7.296 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.661 9.369 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.561 10.409 -0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.308 8.690 -0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.892 9.252 -1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.674 10.818 -1.135 1.00 0.00 H new ATOM 1413 N SER A 87 -1.485 11.516 -3.371 1.00 0.00 N ATOM 1414 CA SER A 87 -0.969 12.552 -4.294 1.00 0.00 C ATOM 1415 C SER A 87 0.158 13.328 -3.639 1.00 0.00 C ATOM 1416 O SER A 87 0.147 13.591 -2.453 1.00 0.00 O ATOM 1417 CB SER A 87 -2.154 13.470 -4.575 1.00 0.00 C ATOM 1418 OG SER A 87 -3.168 12.737 -5.250 1.00 0.00 O ATOM 0 H SER A 87 -2.218 11.827 -2.733 1.00 0.00 H new ATOM 0 HA SER A 87 -0.567 12.117 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.543 13.876 -3.641 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.836 14.317 -5.183 1.00 0.00 H new ATOM 0 HG SER A 87 -3.931 13.325 -5.430 1.00 0.00 H new ATOM 1424 N LYS A 88 1.119 13.718 -4.411 1.00 0.00 N ATOM 1425 CA LYS A 88 2.238 14.499 -3.858 1.00 0.00 C ATOM 1426 C LYS A 88 2.688 15.460 -4.946 1.00 0.00 C ATOM 1427 O LYS A 88 2.821 16.651 -4.741 1.00 0.00 O ATOM 1428 CB LYS A 88 3.333 13.485 -3.528 1.00 0.00 C ATOM 1429 CG LYS A 88 4.190 14.014 -2.377 1.00 0.00 C ATOM 1430 CD LYS A 88 4.370 12.915 -1.330 1.00 0.00 C ATOM 1431 CE LYS A 88 5.622 12.098 -1.659 1.00 0.00 C ATOM 1432 NZ LYS A 88 6.405 12.071 -0.392 1.00 0.00 N ATOM 0 H LYS A 88 1.176 13.526 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 88 1.981 15.071 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.887 12.529 -3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.954 13.307 -4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.161 14.337 -2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.715 14.886 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.460 13.355 -0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.494 12.267 -1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.362 11.091 -1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.193 12.557 -2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.280 11.528 -0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.643 13.043 -0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.839 11.623 0.356 1.00 0.00 H new ATOM 1446 N GLU A 89 2.867 14.938 -6.129 1.00 0.00 N ATOM 1447 CA GLU A 89 3.246 15.792 -7.276 1.00 0.00 C ATOM 1448 C GLU A 89 2.008 15.969 -8.154 1.00 0.00 C ATOM 1449 O GLU A 89 1.401 15.010 -8.584 1.00 0.00 O ATOM 1450 CB GLU A 89 4.334 15.015 -8.016 1.00 0.00 C ATOM 1451 CG GLU A 89 5.710 15.504 -7.562 1.00 0.00 C ATOM 1452 CD GLU A 89 6.777 14.995 -8.532 1.00 0.00 C ATOM 1453 OE1 GLU A 89 6.780 15.444 -9.666 1.00 0.00 O ATOM 1454 OE2 GLU A 89 7.572 14.165 -8.124 1.00 0.00 O ATOM 0 H GLU A 89 2.764 13.947 -6.346 1.00 0.00 H new ATOM 0 HA GLU A 89 3.607 16.779 -6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.232 13.948 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.225 15.151 -9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.727 16.593 -7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.920 15.147 -6.554 1.00 0.00 H new ATOM 1461 N ASN A 90 1.620 17.184 -8.389 1.00 0.00 N ATOM 1462 CA ASN A 90 0.402 17.458 -9.211 1.00 0.00 C ATOM 1463 C ASN A 90 0.504 16.830 -10.602 1.00 0.00 C ATOM 1464 O ASN A 90 0.799 17.488 -11.580 1.00 0.00 O ATOM 1465 CB ASN A 90 0.330 18.983 -9.314 1.00 0.00 C ATOM 1466 CG ASN A 90 -1.050 19.397 -9.831 1.00 0.00 C ATOM 1467 OD1 ASN A 90 -1.428 19.050 -10.932 1.00 0.00 O ATOM 1468 ND2 ASN A 90 -1.823 20.131 -9.077 1.00 0.00 N ATOM 0 H ASN A 90 2.098 18.017 -8.044 1.00 0.00 H new ATOM 0 HA ASN A 90 -0.490 17.028 -8.755 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.514 19.433 -8.338 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.106 19.349 -9.986 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.744 20.413 -9.413 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.506 20.422 -8.152 1.00 0.00 H new ATOM 1475 N LYS A 91 0.217 15.566 -10.693 1.00 0.00 N ATOM 1476 CA LYS A 91 0.239 14.870 -12.005 1.00 0.00 C ATOM 1477 C LYS A 91 -1.192 14.841 -12.530 1.00 0.00 C ATOM 1478 O LYS A 91 -2.121 14.987 -11.765 1.00 0.00 O ATOM 1479 CB LYS A 91 0.747 13.457 -11.713 1.00 0.00 C ATOM 1480 CG LYS A 91 1.971 13.165 -12.583 1.00 0.00 C ATOM 1481 CD LYS A 91 1.533 12.984 -14.038 1.00 0.00 C ATOM 1482 CE LYS A 91 2.630 12.252 -14.814 1.00 0.00 C ATOM 1483 NZ LYS A 91 3.690 13.274 -15.039 1.00 0.00 N ATOM 0 H LYS A 91 -0.036 14.976 -9.901 1.00 0.00 H new ATOM 0 HA LYS A 91 0.872 15.353 -12.749 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.006 13.363 -10.658 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.038 12.728 -11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.688 13.983 -12.507 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.475 12.266 -12.230 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.603 12.418 -14.081 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.337 13.955 -14.493 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.014 11.403 -14.249 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.252 11.861 -15.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.898 13.341 -16.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.361 14.197 -14.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.552 12.999 -14.527 1.00 0.00 H new ATOM 1497 N GLU A 92 -1.393 14.685 -13.811 1.00 0.00 N ATOM 1498 CA GLU A 92 -2.792 14.673 -14.334 1.00 0.00 C ATOM 1499 C GLU A 92 -3.530 13.454 -13.770 1.00 0.00 C ATOM 1500 O GLU A 92 -3.728 12.458 -14.437 1.00 0.00 O ATOM 1501 CB GLU A 92 -2.651 14.567 -15.853 1.00 0.00 C ATOM 1502 CG GLU A 92 -3.965 14.978 -16.518 1.00 0.00 C ATOM 1503 CD GLU A 92 -4.207 14.107 -17.752 1.00 0.00 C ATOM 1504 OE1 GLU A 92 -3.236 13.744 -18.397 1.00 0.00 O ATOM 1505 OE2 GLU A 92 -5.358 13.818 -18.031 1.00 0.00 O ATOM 0 H GLU A 92 -0.660 14.567 -14.511 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.358 15.560 -14.049 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.840 15.208 -16.199 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.393 13.546 -16.134 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.791 14.868 -15.815 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.927 16.029 -16.804 1.00 0.00 H new ATOM 1512 N ILE A 93 -3.908 13.535 -12.522 1.00 0.00 N ATOM 1513 CA ILE A 93 -4.605 12.408 -11.850 1.00 0.00 C ATOM 1514 C ILE A 93 -6.079 12.760 -11.603 1.00 0.00 C ATOM 1515 O ILE A 93 -6.413 13.873 -11.246 1.00 0.00 O ATOM 1516 CB ILE A 93 -3.829 12.251 -10.521 1.00 0.00 C ATOM 1517 CG1 ILE A 93 -2.587 11.384 -10.757 1.00 0.00 C ATOM 1518 CG2 ILE A 93 -4.700 11.596 -9.437 1.00 0.00 C ATOM 1519 CD1 ILE A 93 -3.006 9.962 -11.154 1.00 0.00 C ATOM 0 H ILE A 93 -3.758 14.353 -11.931 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.616 11.490 -12.438 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.541 13.245 -10.177 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.971 11.823 -11.542 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.978 11.353 -9.854 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.124 11.501 -8.516 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.579 12.214 -9.253 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.016 10.608 -9.772 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.117 9.354 -11.320 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.603 9.522 -10.355 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.596 9.999 -12.070 1.00 0.00 H new ATOM 1531 N GLU A 94 -6.954 11.805 -11.754 1.00 0.00 N ATOM 1532 CA GLU A 94 -8.400 12.065 -11.489 1.00 0.00 C ATOM 1533 C GLU A 94 -8.805 11.370 -10.210 1.00 0.00 C ATOM 1534 O GLU A 94 -8.252 10.348 -9.851 1.00 0.00 O ATOM 1535 CB GLU A 94 -9.196 11.451 -12.638 1.00 0.00 C ATOM 1536 CG GLU A 94 -8.690 10.040 -12.945 1.00 0.00 C ATOM 1537 CD GLU A 94 -7.775 10.078 -14.171 1.00 0.00 C ATOM 1538 OE1 GLU A 94 -6.608 10.393 -14.004 1.00 0.00 O ATOM 1539 OE2 GLU A 94 -8.257 9.794 -15.255 1.00 0.00 O ATOM 0 H GLU A 94 -6.732 10.854 -12.050 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.585 13.136 -11.403 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.254 11.416 -12.378 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.107 12.077 -13.526 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.148 9.642 -12.087 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.532 9.373 -13.128 1.00 0.00 H new ATOM 1546 N LEU A 95 -9.780 11.886 -9.529 1.00 0.00 N ATOM 1547 CA LEU A 95 -10.219 11.209 -8.293 1.00 0.00 C ATOM 1548 C LEU A 95 -11.482 11.871 -7.732 1.00 0.00 C ATOM 1549 O LEU A 95 -11.456 12.441 -6.660 1.00 0.00 O ATOM 1550 CB LEU A 95 -9.046 11.348 -7.318 1.00 0.00 C ATOM 1551 CG LEU A 95 -8.810 10.020 -6.603 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -7.869 9.159 -7.442 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -8.176 10.282 -5.235 1.00 0.00 C ATOM 0 H LEU A 95 -10.286 12.738 -9.772 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.474 10.164 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.147 11.647 -7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.257 12.131 -6.590 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.760 9.503 -6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.697 8.209 -6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.318 8.974 -8.418 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.919 9.678 -7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.008 9.334 -4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.224 10.797 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.844 10.902 -4.637 1.00 0.00 H new ATOM 1565 N PRO A 96 -12.555 11.769 -8.475 1.00 0.00 N ATOM 1566 CA PRO A 96 -13.842 12.364 -8.035 1.00 0.00 C ATOM 1567 C PRO A 96 -14.400 11.603 -6.830 1.00 0.00 C ATOM 1568 O PRO A 96 -14.010 10.463 -6.641 1.00 0.00 O ATOM 1569 CB PRO A 96 -14.747 12.200 -9.253 1.00 0.00 C ATOM 1570 CG PRO A 96 -14.164 11.053 -10.006 1.00 0.00 C ATOM 1571 CD PRO A 96 -12.678 11.099 -9.776 1.00 0.00 C ATOM 0 HA PRO A 96 -13.748 13.403 -7.718 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -15.776 11.997 -8.957 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -14.762 13.105 -9.860 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -14.581 10.108 -9.657 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -14.394 11.130 -11.069 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.244 10.100 -9.756 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -12.167 11.653 -10.563 1.00 0.00 H new TER 1579 PRO A 96