USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 887 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 104 GLN : amide:sc= 0.762 K(o=1.5,f=-0.49) USER MOD Set 1.2: A 106 TYR OH : rot 76:sc= 0.781 USER MOD Set 2.1: A 54 ASN : amide:sc= -0.301 K(o=0.62,f=-2.2!) USER MOD Set 2.2: A 56 TYR OH : rot -81:sc= 0.922 USER MOD Set 3.1: A 49 LYS NZ :NH3+ -173:sc= -0.421! (180deg=-2.03!) USER MOD Set 3.2: A 73 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 2 THR OG1 : rot 52:sc= 0.0458! USER MOD Single : A 6 GLN : amide:sc= -0.892 K(o=-0.89,f=-2.3!) USER MOD Single : A 8 LYS NZ :NH3+ -129:sc= 0.074 (180deg=-0.233) USER MOD Single : A 9 HIS : no HE2:sc= -6.42! C(o=-6.4!,f=-7.3!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -84:sc= 0.0459 USER MOD Single : A 13 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.2!) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -88:sc= 0.841 USER MOD Single : A 27 SER OG : rot 45:sc= 1.2 USER MOD Single : A 39 GLN : amide:sc= -0.161 K(o=-0.16,f=-1) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -66:sc= 1.07 USER MOD Single : A 48 ASN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 170:sc= -0.473 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 57 TYR OH : rot 175:sc= 0.023 USER MOD Single : A 58 SER OG : rot 173:sc= -2.01! USER MOD Single : A 60 THR OG1 : rot 124:sc= 0.967 USER MOD Single : A 62 HIS : no HD1:sc= -3.39! C(o=-3.4!,f=-6.7!) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc=-0.00105 (180deg=-0.249) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.8!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 64:sc= -1.58! USER MOD Single : A 74 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.62) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -3.73! C(o=-3.7!,f=-3.2!) USER MOD Single : A 86 ASN : amide:sc= -0.759 K(o=-0.76,f=-1.5!) USER MOD Single : A 87 HIS : no HD1:sc= -3.31! C(o=-3.3!,f=-6.7!) USER MOD Single : A 89 MET CE :methyl -165:sc= 0 (180deg=-0.467) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.346 USER MOD Single : A 95 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-0.67) USER MOD Single : A 96 ASN : amide:sc= -3.95! C(o=-4!,f=-4.5!) USER MOD Single : A 97 THR OG1 : rot 160:sc= -0.304 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -12.795 -8.337 19.111 1.00 0.00 N ATOM 21 CA THR A 2 -11.697 -7.382 18.769 1.00 0.00 C ATOM 22 C THR A 2 -12.090 -6.542 17.552 1.00 0.00 C ATOM 23 O THR A 2 -13.241 -6.476 17.167 1.00 0.00 O ATOM 24 CB THR A 2 -10.422 -8.165 18.450 1.00 0.00 C ATOM 25 OG1 THR A 2 -9.403 -7.260 18.046 1.00 0.00 O ATOM 26 CG2 THR A 2 -10.700 -9.161 17.322 1.00 0.00 C ATOM 0 HA THR A 2 -11.524 -6.722 19.619 1.00 0.00 H new ATOM 0 HB THR A 2 -10.096 -8.708 19.337 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.314 -6.548 18.714 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.791 -9.718 17.096 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.482 -9.854 17.633 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.026 -8.622 16.432 1.00 0.00 H new ATOM 34 N LEU A 3 -11.130 -5.894 16.954 1.00 0.00 N ATOM 35 CA LEU A 3 -11.411 -5.043 15.763 1.00 0.00 C ATOM 36 C LEU A 3 -11.939 -5.911 14.620 1.00 0.00 C ATOM 37 O LEU A 3 -12.839 -5.525 13.900 1.00 0.00 O ATOM 38 CB LEU A 3 -10.112 -4.365 15.321 1.00 0.00 C ATOM 39 CG LEU A 3 -9.660 -3.356 16.390 1.00 0.00 C ATOM 40 CD1 LEU A 3 -8.246 -2.858 16.065 1.00 0.00 C ATOM 41 CD2 LEU A 3 -10.633 -2.160 16.448 1.00 0.00 C ATOM 0 H LEU A 3 -10.152 -5.918 17.242 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.158 -4.292 16.019 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.336 -5.114 15.164 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.262 -3.857 14.369 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.657 -3.852 17.361 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.929 -2.143 16.824 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.557 -3.703 16.051 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.246 -2.374 15.088 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.299 -1.455 17.210 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.656 -1.662 15.478 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.633 -2.516 16.697 1.00 0.00 H new ATOM 53 N GLU A 4 -11.373 -7.071 14.436 1.00 0.00 N ATOM 54 CA GLU A 4 -11.826 -7.958 13.328 1.00 0.00 C ATOM 55 C GLU A 4 -13.317 -8.256 13.489 1.00 0.00 C ATOM 56 O GLU A 4 -14.080 -8.185 12.545 1.00 0.00 O ATOM 57 CB GLU A 4 -11.039 -9.269 13.383 1.00 0.00 C ATOM 58 CG GLU A 4 -9.551 -8.988 13.165 1.00 0.00 C ATOM 59 CD GLU A 4 -9.333 -8.461 11.748 1.00 0.00 C ATOM 60 OE1 GLU A 4 -9.786 -9.112 10.823 1.00 0.00 O ATOM 61 OE2 GLU A 4 -8.717 -7.417 11.612 1.00 0.00 O ATOM 0 H GLU A 4 -10.614 -7.444 15.007 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.656 -7.464 12.371 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.190 -9.754 14.347 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.405 -9.956 12.620 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.197 -8.259 13.894 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.972 -9.899 13.319 1.00 0.00 H new ATOM 68 N LEU A 5 -13.739 -8.595 14.675 1.00 0.00 N ATOM 69 CA LEU A 5 -15.181 -8.900 14.893 1.00 0.00 C ATOM 70 C LEU A 5 -16.016 -7.644 14.621 1.00 0.00 C ATOM 71 O LEU A 5 -17.059 -7.704 14.002 1.00 0.00 O ATOM 72 CB LEU A 5 -15.382 -9.348 16.346 1.00 0.00 C ATOM 73 CG LEU A 5 -16.860 -9.684 16.606 1.00 0.00 C ATOM 74 CD1 LEU A 5 -17.313 -10.830 15.685 1.00 0.00 C ATOM 75 CD2 LEU A 5 -17.027 -10.106 18.071 1.00 0.00 C ATOM 0 H LEU A 5 -13.148 -8.674 15.503 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.498 -9.694 14.217 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.763 -10.221 16.553 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.057 -8.559 17.024 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.471 -8.805 16.400 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.361 -11.059 15.878 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.193 -10.529 14.644 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.706 -11.714 15.879 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -18.073 -10.346 18.264 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.411 -10.983 18.270 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.716 -9.289 18.723 1.00 0.00 H new ATOM 87 N GLN A 6 -15.569 -6.511 15.092 1.00 0.00 N ATOM 88 CA GLN A 6 -16.339 -5.254 14.874 1.00 0.00 C ATOM 89 C GLN A 6 -16.374 -4.919 13.382 1.00 0.00 C ATOM 90 O GLN A 6 -17.379 -4.484 12.858 1.00 0.00 O ATOM 91 CB GLN A 6 -15.667 -4.108 15.635 1.00 0.00 C ATOM 92 CG GLN A 6 -15.791 -4.352 17.141 1.00 0.00 C ATOM 93 CD GLN A 6 -15.104 -3.216 17.901 1.00 0.00 C ATOM 94 OE1 GLN A 6 -15.330 -2.056 17.618 1.00 0.00 O ATOM 95 NE2 GLN A 6 -14.269 -3.502 18.862 1.00 0.00 N ATOM 0 H GLN A 6 -14.702 -6.402 15.619 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.358 -5.389 15.237 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.617 -4.037 15.353 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.133 -3.159 15.370 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.842 -4.411 17.425 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.336 -5.307 17.404 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.079 -4.476 19.100 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.806 -2.752 19.376 1.00 0.00 H new ATOM 104 N LEU A 7 -15.280 -5.109 12.697 1.00 0.00 N ATOM 105 CA LEU A 7 -15.250 -4.790 11.241 1.00 0.00 C ATOM 106 C LEU A 7 -16.252 -5.677 10.498 1.00 0.00 C ATOM 107 O LEU A 7 -16.993 -5.217 9.652 1.00 0.00 O ATOM 108 CB LEU A 7 -13.837 -5.047 10.705 1.00 0.00 C ATOM 109 CG LEU A 7 -13.774 -4.784 9.191 1.00 0.00 C ATOM 110 CD1 LEU A 7 -14.224 -3.347 8.880 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.333 -4.995 8.704 1.00 0.00 C ATOM 0 H LEU A 7 -14.407 -5.471 13.081 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.519 -3.745 11.087 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.124 -4.404 11.221 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.545 -6.077 10.913 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.442 -5.476 8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.174 -3.175 7.805 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.249 -3.204 9.223 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.568 -2.642 9.391 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.281 -4.810 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.669 -4.305 9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.025 -6.020 8.911 1.00 0.00 H new ATOM 123 N LYS A 8 -16.281 -6.945 10.804 1.00 0.00 N ATOM 124 CA LYS A 8 -17.237 -7.852 10.111 1.00 0.00 C ATOM 125 C LYS A 8 -18.663 -7.422 10.446 1.00 0.00 C ATOM 126 O LYS A 8 -19.534 -7.401 9.599 1.00 0.00 O ATOM 127 CB LYS A 8 -17.021 -9.289 10.590 1.00 0.00 C ATOM 128 CG LYS A 8 -15.658 -9.793 10.114 1.00 0.00 C ATOM 129 CD LYS A 8 -15.441 -11.221 10.620 1.00 0.00 C ATOM 130 CE LYS A 8 -14.049 -11.704 10.211 1.00 0.00 C ATOM 131 NZ LYS A 8 -13.982 -11.830 8.727 1.00 0.00 N ATOM 0 H LYS A 8 -15.686 -7.391 11.502 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.074 -7.800 9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.075 -9.332 11.678 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.812 -9.933 10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.609 -9.769 9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.867 -9.140 10.483 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.544 -11.253 11.705 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.202 -11.883 10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.292 -11.003 10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.834 -12.665 10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.616 -12.770 8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.934 -11.709 8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.349 -11.098 8.345 1.00 0.00 H new ATOM 145 N HIS A 9 -18.906 -7.085 11.682 1.00 0.00 N ATOM 146 CA HIS A 9 -20.274 -6.661 12.086 1.00 0.00 C ATOM 147 C HIS A 9 -20.631 -5.347 11.391 1.00 0.00 C ATOM 148 O HIS A 9 -21.735 -5.163 10.921 1.00 0.00 O ATOM 149 CB HIS A 9 -20.309 -6.455 13.603 1.00 0.00 C ATOM 150 CG HIS A 9 -20.280 -7.790 14.293 1.00 0.00 C ATOM 151 ND1 HIS A 9 -20.931 -8.018 15.495 1.00 0.00 N ATOM 152 CD2 HIS A 9 -19.679 -8.978 13.961 1.00 0.00 C ATOM 153 CE1 HIS A 9 -20.710 -9.299 15.840 1.00 0.00 C ATOM 154 NE2 HIS A 9 -19.951 -9.930 14.938 1.00 0.00 N ATOM 0 H HIS A 9 -18.214 -7.085 12.431 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.992 -7.429 11.799 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.457 -5.853 13.918 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -21.208 -5.908 13.885 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -21.478 -7.338 16.022 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -19.085 -9.148 13.075 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -21.098 -9.761 16.736 1.00 0.00 H new ATOM 162 N TYR A 10 -19.708 -4.426 11.333 1.00 0.00 N ATOM 163 CA TYR A 10 -20.001 -3.119 10.679 1.00 0.00 C ATOM 164 C TYR A 10 -20.332 -3.338 9.198 1.00 0.00 C ATOM 165 O TYR A 10 -21.301 -2.815 8.688 1.00 0.00 O ATOM 166 CB TYR A 10 -18.776 -2.210 10.791 1.00 0.00 C ATOM 167 CG TYR A 10 -19.040 -0.921 10.051 1.00 0.00 C ATOM 168 CD1 TYR A 10 -18.883 -0.865 8.660 1.00 0.00 C ATOM 169 CD2 TYR A 10 -19.451 0.219 10.754 1.00 0.00 C ATOM 170 CE1 TYR A 10 -19.133 0.330 7.974 1.00 0.00 C ATOM 171 CE2 TYR A 10 -19.701 1.413 10.068 1.00 0.00 C ATOM 172 CZ TYR A 10 -19.542 1.469 8.679 1.00 0.00 C ATOM 173 OH TYR A 10 -19.788 2.646 8.003 1.00 0.00 O ATOM 0 H TYR A 10 -18.765 -4.522 11.710 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.854 -2.655 11.174 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -18.558 -2.003 11.839 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.900 -2.708 10.375 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -18.569 -1.744 8.116 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -19.575 0.176 11.826 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.010 0.373 6.902 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -20.017 2.292 10.611 1.00 0.00 H new ATOM 0 HH TYR A 10 -20.064 3.338 8.640 1.00 0.00 H new ATOM 183 N ILE A 11 -19.527 -4.093 8.497 1.00 0.00 N ATOM 184 CA ILE A 11 -19.795 -4.322 7.047 1.00 0.00 C ATOM 185 C ILE A 11 -21.117 -5.073 6.880 1.00 0.00 C ATOM 186 O ILE A 11 -21.921 -4.753 6.027 1.00 0.00 O ATOM 187 CB ILE A 11 -18.660 -5.155 6.441 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.370 -4.331 6.433 1.00 0.00 C ATOM 189 CG2 ILE A 11 -19.022 -5.545 5.003 1.00 0.00 C ATOM 190 CD1 ILE A 11 -16.183 -5.230 6.077 1.00 0.00 C ATOM 0 H ILE A 11 -18.698 -4.560 8.865 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.856 -3.361 6.537 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.514 -6.056 7.037 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.451 -3.518 5.712 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -17.213 -3.875 7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.215 -6.137 4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -19.941 -6.131 5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -19.168 -4.644 4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.267 -4.639 6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.096 -6.028 6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.339 -5.665 5.090 1.00 0.00 H new ATOM 202 N THR A 12 -21.340 -6.076 7.679 1.00 0.00 N ATOM 203 CA THR A 12 -22.600 -6.858 7.562 1.00 0.00 C ATOM 204 C THR A 12 -23.789 -5.972 7.939 1.00 0.00 C ATOM 205 O THR A 12 -24.869 -6.108 7.401 1.00 0.00 O ATOM 206 CB THR A 12 -22.533 -8.061 8.509 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.284 -7.604 9.830 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.406 -9.010 8.073 1.00 0.00 C ATOM 0 H THR A 12 -20.702 -6.389 8.411 1.00 0.00 H new ATOM 0 HA THR A 12 -22.724 -7.206 6.536 1.00 0.00 H new ATOM 0 HB THR A 12 -23.481 -8.597 8.478 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.321 -7.468 9.953 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.365 -9.862 8.751 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.598 -9.362 7.059 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.454 -8.480 8.099 1.00 0.00 H new ATOM 216 N ASN A 13 -23.602 -5.075 8.869 1.00 0.00 N ATOM 217 CA ASN A 13 -24.724 -4.188 9.290 1.00 0.00 C ATOM 218 C ASN A 13 -25.129 -3.259 8.139 1.00 0.00 C ATOM 219 O ASN A 13 -26.279 -3.192 7.755 1.00 0.00 O ATOM 220 CB ASN A 13 -24.260 -3.333 10.473 1.00 0.00 C ATOM 221 CG ASN A 13 -24.185 -4.192 11.736 1.00 0.00 C ATOM 222 OD1 ASN A 13 -24.788 -5.244 11.806 1.00 0.00 O ATOM 223 ND2 ASN A 13 -23.463 -3.783 12.744 1.00 0.00 N ATOM 0 H ASN A 13 -22.720 -4.918 9.356 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.579 -4.803 9.571 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.283 -2.899 10.259 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -24.950 -2.504 10.627 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.405 -4.347 13.592 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -22.957 -2.899 12.684 1.00 0.00 H new ATOM 230 N LEU A 14 -24.190 -2.529 7.600 1.00 0.00 N ATOM 231 CA LEU A 14 -24.508 -1.587 6.486 1.00 0.00 C ATOM 232 C LEU A 14 -24.975 -2.359 5.252 1.00 0.00 C ATOM 233 O LEU A 14 -25.904 -1.963 4.577 1.00 0.00 O ATOM 234 CB LEU A 14 -23.253 -0.768 6.146 1.00 0.00 C ATOM 235 CG LEU A 14 -23.130 0.440 7.095 1.00 0.00 C ATOM 236 CD1 LEU A 14 -24.213 1.494 6.773 1.00 0.00 C ATOM 237 CD2 LEU A 14 -23.273 -0.028 8.552 1.00 0.00 C ATOM 0 H LEU A 14 -23.211 -2.544 7.884 1.00 0.00 H new ATOM 0 HA LEU A 14 -25.310 -0.919 6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -22.366 -1.397 6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -23.304 -0.424 5.113 1.00 0.00 H new ATOM 0 HG LEU A 14 -22.150 0.896 6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -24.111 2.340 7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -24.092 1.838 5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -25.201 1.049 6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -23.185 0.829 9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -24.247 -0.497 8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -22.488 -0.748 8.781 1.00 0.00 H new ATOM 249 N PHE A 15 -24.333 -3.449 4.939 1.00 0.00 N ATOM 250 CA PHE A 15 -24.733 -4.235 3.736 1.00 0.00 C ATOM 251 C PHE A 15 -25.771 -5.287 4.137 1.00 0.00 C ATOM 252 O PHE A 15 -26.277 -6.021 3.311 1.00 0.00 O ATOM 253 CB PHE A 15 -23.491 -4.908 3.141 1.00 0.00 C ATOM 254 CG PHE A 15 -22.676 -3.891 2.379 1.00 0.00 C ATOM 255 CD1 PHE A 15 -22.953 -3.640 1.030 1.00 0.00 C ATOM 256 CD2 PHE A 15 -21.644 -3.200 3.022 1.00 0.00 C ATOM 257 CE1 PHE A 15 -22.195 -2.698 0.325 1.00 0.00 C ATOM 258 CE2 PHE A 15 -20.887 -2.258 2.318 1.00 0.00 C ATOM 259 CZ PHE A 15 -21.162 -2.007 0.969 1.00 0.00 C ATOM 0 H PHE A 15 -23.547 -3.831 5.464 1.00 0.00 H new ATOM 0 HA PHE A 15 -25.174 -3.576 2.988 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -22.889 -5.349 3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -23.788 -5.720 2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -23.751 -4.173 0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.431 -3.394 4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -22.407 -2.504 -0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -20.090 -1.724 2.815 1.00 0.00 H new ATOM 0 HZ PHE A 15 -20.577 -1.280 0.425 1.00 0.00 H new ATOM 269 N ASN A 16 -26.109 -5.350 5.399 1.00 0.00 N ATOM 270 CA ASN A 16 -27.134 -6.334 5.855 1.00 0.00 C ATOM 271 C ASN A 16 -26.789 -7.729 5.332 1.00 0.00 C ATOM 272 O ASN A 16 -27.614 -8.400 4.741 1.00 0.00 O ATOM 273 CB ASN A 16 -28.506 -5.910 5.327 1.00 0.00 C ATOM 274 CG ASN A 16 -28.911 -4.580 5.967 1.00 0.00 C ATOM 275 OD1 ASN A 16 -28.727 -4.379 7.153 1.00 0.00 O ATOM 276 ND2 ASN A 16 -29.456 -3.654 5.227 1.00 0.00 N ATOM 0 H ASN A 16 -25.718 -4.761 6.134 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.151 -6.361 6.945 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.475 -5.809 4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -29.248 -6.676 5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -29.727 -2.763 5.643 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -29.611 -3.821 4.233 1.00 0.00 H new ATOM 283 N LEU A 17 -25.576 -8.171 5.538 1.00 0.00 N ATOM 284 CA LEU A 17 -25.166 -9.523 5.051 1.00 0.00 C ATOM 285 C LEU A 17 -25.261 -10.536 6.214 1.00 0.00 C ATOM 286 O LEU A 17 -24.748 -10.282 7.285 1.00 0.00 O ATOM 287 CB LEU A 17 -23.721 -9.449 4.555 1.00 0.00 C ATOM 288 CG LEU A 17 -23.577 -8.263 3.594 1.00 0.00 C ATOM 289 CD1 LEU A 17 -22.125 -8.157 3.119 1.00 0.00 C ATOM 290 CD2 LEU A 17 -24.502 -8.454 2.382 1.00 0.00 C ATOM 0 H LEU A 17 -24.847 -7.651 6.026 1.00 0.00 H new ATOM 0 HA LEU A 17 -25.821 -9.843 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.040 -9.334 5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.449 -10.376 4.050 1.00 0.00 H new ATOM 0 HG LEU A 17 -23.856 -7.347 4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.026 -7.313 2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -21.471 -8.007 3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -21.843 -9.075 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.393 -7.607 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.233 -9.373 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.536 -8.518 2.720 1.00 0.00 H new ATOM 302 N PRO A 18 -25.898 -11.680 6.025 1.00 0.00 N ATOM 303 CA PRO A 18 -26.019 -12.705 7.108 1.00 0.00 C ATOM 304 C PRO A 18 -24.682 -13.008 7.798 1.00 0.00 C ATOM 305 O PRO A 18 -23.664 -13.198 7.163 1.00 0.00 O ATOM 306 CB PRO A 18 -26.521 -13.958 6.369 1.00 0.00 C ATOM 307 CG PRO A 18 -27.255 -13.440 5.175 1.00 0.00 C ATOM 308 CD PRO A 18 -26.588 -12.115 4.792 1.00 0.00 C ATOM 0 HA PRO A 18 -26.679 -12.361 7.904 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -25.691 -14.600 6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -27.175 -14.555 7.005 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -27.205 -14.151 4.351 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -28.310 -13.291 5.404 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.885 -12.247 3.969 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -27.324 -11.379 4.468 1.00 0.00 H new ATOM 316 N ARG A 19 -24.694 -13.055 9.105 1.00 0.00 N ATOM 317 CA ARG A 19 -23.452 -13.350 9.871 1.00 0.00 C ATOM 318 C ARG A 19 -23.302 -14.866 10.029 1.00 0.00 C ATOM 319 O ARG A 19 -22.254 -15.363 10.391 1.00 0.00 O ATOM 320 CB ARG A 19 -23.550 -12.700 11.259 1.00 0.00 C ATOM 321 CG ARG A 19 -22.154 -12.625 11.907 1.00 0.00 C ATOM 322 CD ARG A 19 -21.440 -11.343 11.464 1.00 0.00 C ATOM 323 NE ARG A 19 -20.111 -11.253 12.137 1.00 0.00 N ATOM 324 CZ ARG A 19 -19.058 -11.814 11.601 1.00 0.00 C ATOM 325 NH1 ARG A 19 -19.161 -12.475 10.478 1.00 0.00 N ATOM 326 NH2 ARG A 19 -17.900 -11.716 12.190 1.00 0.00 N ATOM 0 H ARG A 19 -25.523 -12.899 9.679 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.588 -12.952 9.339 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -23.973 -11.699 11.172 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -24.223 -13.277 11.893 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -22.246 -12.643 12.993 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -21.564 -13.497 11.623 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -21.312 -11.341 10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -22.046 -10.472 11.714 1.00 0.00 H new ATOM 0 HE ARG A 19 -20.023 -10.751 13.020 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -20.066 -12.555 10.015 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -18.336 -12.910 10.065 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -17.816 -11.203 13.067 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -17.078 -12.153 11.774 1.00 0.00 H new ATOM 340 N ASP A 20 -24.352 -15.602 9.775 1.00 0.00 N ATOM 341 CA ASP A 20 -24.287 -17.085 9.927 1.00 0.00 C ATOM 342 C ASP A 20 -23.454 -17.685 8.795 1.00 0.00 C ATOM 343 O ASP A 20 -23.272 -18.885 8.719 1.00 0.00 O ATOM 344 CB ASP A 20 -25.705 -17.662 9.876 1.00 0.00 C ATOM 345 CG ASP A 20 -26.461 -17.285 11.152 1.00 0.00 C ATOM 346 OD1 ASP A 20 -25.816 -16.869 12.100 1.00 0.00 O ATOM 347 OD2 ASP A 20 -27.674 -17.420 11.159 1.00 0.00 O ATOM 0 H ASP A 20 -25.254 -15.239 9.468 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.824 -17.330 10.883 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -26.233 -17.279 9.002 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.663 -18.746 9.773 1.00 0.00 H new ATOM 352 N GLU A 21 -22.941 -16.861 7.919 1.00 0.00 N ATOM 353 CA GLU A 21 -22.106 -17.374 6.788 1.00 0.00 C ATOM 354 C GLU A 21 -20.632 -17.106 7.085 1.00 0.00 C ATOM 355 O GLU A 21 -20.206 -15.975 7.213 1.00 0.00 O ATOM 356 CB GLU A 21 -22.505 -16.658 5.497 1.00 0.00 C ATOM 357 CG GLU A 21 -21.696 -17.228 4.329 1.00 0.00 C ATOM 358 CD GLU A 21 -22.168 -16.589 3.022 1.00 0.00 C ATOM 359 OE1 GLU A 21 -22.906 -15.620 3.093 1.00 0.00 O ATOM 360 OE2 GLU A 21 -21.787 -17.082 1.974 1.00 0.00 O ATOM 0 H GLU A 21 -23.064 -15.849 7.937 1.00 0.00 H new ATOM 0 HA GLU A 21 -22.265 -18.446 6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.572 -16.786 5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -22.324 -15.587 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.634 -17.033 4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.818 -18.310 4.282 1.00 0.00 H new ATOM 367 N LYS A 22 -19.850 -18.144 7.197 1.00 0.00 N ATOM 368 CA LYS A 22 -18.402 -17.963 7.489 1.00 0.00 C ATOM 369 C LYS A 22 -17.666 -17.616 6.198 1.00 0.00 C ATOM 370 O LYS A 22 -17.957 -18.140 5.140 1.00 0.00 O ATOM 371 CB LYS A 22 -17.833 -19.259 8.072 1.00 0.00 C ATOM 372 CG LYS A 22 -18.606 -19.655 9.339 1.00 0.00 C ATOM 373 CD LYS A 22 -18.378 -18.621 10.448 1.00 0.00 C ATOM 374 CE LYS A 22 -18.811 -19.207 11.794 1.00 0.00 C ATOM 375 NZ LYS A 22 -18.491 -18.236 12.879 1.00 0.00 N ATOM 0 H LYS A 22 -20.154 -19.113 7.098 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.272 -17.156 8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.898 -20.058 7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.777 -19.127 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -19.670 -19.729 9.115 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.282 -20.639 9.678 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.326 -18.338 10.485 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.944 -17.714 10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.880 -19.420 11.784 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.299 -20.153 11.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.784 -18.631 13.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.467 -18.054 12.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.999 -17.345 12.708 1.00 0.00 H new ATOM 389 N TRP A 23 -16.711 -16.727 6.279 1.00 0.00 N ATOM 390 CA TRP A 23 -15.941 -16.318 5.068 1.00 0.00 C ATOM 391 C TRP A 23 -14.600 -17.048 5.056 1.00 0.00 C ATOM 392 O TRP A 23 -14.198 -17.640 6.038 1.00 0.00 O ATOM 393 CB TRP A 23 -15.692 -14.803 5.110 1.00 0.00 C ATOM 394 CG TRP A 23 -16.981 -14.065 5.343 1.00 0.00 C ATOM 395 CD1 TRP A 23 -18.226 -14.574 5.170 1.00 0.00 C ATOM 396 CD2 TRP A 23 -17.168 -12.684 5.775 1.00 0.00 C ATOM 397 NE1 TRP A 23 -19.157 -13.601 5.479 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.556 -12.419 5.855 1.00 0.00 C ATOM 399 CE3 TRP A 23 -16.277 -11.646 6.102 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -19.042 -11.172 6.248 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -16.763 -10.389 6.498 1.00 0.00 C ATOM 402 CH2 TRP A 23 -18.143 -10.153 6.569 1.00 0.00 C ATOM 0 H TRP A 23 -16.429 -16.262 7.142 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.507 -16.571 4.171 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -14.982 -14.567 5.903 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.243 -14.476 4.172 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.453 -15.578 4.843 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -20.166 -13.740 5.434 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -15.212 -11.817 6.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -20.106 -10.996 6.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -16.070 -9.600 6.749 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -18.511 -9.184 6.872 1.00 0.00 H new ATOM 413 N GLU A 24 -13.906 -17.014 3.946 1.00 0.00 N ATOM 414 CA GLU A 24 -12.585 -17.708 3.846 1.00 0.00 C ATOM 415 C GLU A 24 -11.483 -16.656 3.820 1.00 0.00 C ATOM 416 O GLU A 24 -11.454 -15.785 2.975 1.00 0.00 O ATOM 417 CB GLU A 24 -12.539 -18.530 2.557 1.00 0.00 C ATOM 418 CG GLU A 24 -11.217 -19.298 2.483 1.00 0.00 C ATOM 419 CD GLU A 24 -11.213 -20.192 1.241 1.00 0.00 C ATOM 420 OE1 GLU A 24 -12.086 -20.017 0.407 1.00 0.00 O ATOM 421 OE2 GLU A 24 -10.340 -21.037 1.145 1.00 0.00 O ATOM 0 H GLU A 24 -14.201 -16.531 3.097 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.445 -18.372 4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.377 -19.226 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.639 -17.874 1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.381 -18.600 2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.085 -19.903 3.380 1.00 0.00 H new ATOM 428 N CYS A 25 -10.585 -16.725 4.762 1.00 0.00 N ATOM 429 CA CYS A 25 -9.485 -15.722 4.832 1.00 0.00 C ATOM 430 C CYS A 25 -8.303 -16.167 3.972 1.00 0.00 C ATOM 431 O CYS A 25 -7.905 -17.315 3.987 1.00 0.00 O ATOM 432 CB CYS A 25 -9.035 -15.580 6.291 1.00 0.00 C ATOM 433 SG CYS A 25 -10.477 -15.703 7.376 1.00 0.00 S ATOM 0 H CYS A 25 -10.565 -17.438 5.492 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.846 -14.765 4.457 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.312 -16.358 6.538 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.536 -14.622 6.438 1.00 0.00 H new ATOM 0 HG CYS A 25 -11.008 -14.526 7.527 1.00 0.00 H new ATOM 439 N GLU A 26 -7.730 -15.249 3.236 1.00 0.00 N ATOM 440 CA GLU A 26 -6.553 -15.576 2.375 1.00 0.00 C ATOM 441 C GLU A 26 -5.312 -14.928 2.979 1.00 0.00 C ATOM 442 O GLU A 26 -5.230 -13.719 3.112 1.00 0.00 O ATOM 443 CB GLU A 26 -6.776 -15.033 0.961 1.00 0.00 C ATOM 444 CG GLU A 26 -7.888 -15.833 0.282 1.00 0.00 C ATOM 445 CD GLU A 26 -8.179 -15.243 -1.100 1.00 0.00 C ATOM 446 OE1 GLU A 26 -7.490 -14.312 -1.482 1.00 0.00 O ATOM 447 OE2 GLU A 26 -9.083 -15.736 -1.755 1.00 0.00 O ATOM 0 H GLU A 26 -8.031 -14.275 3.195 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.424 -16.657 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.045 -13.978 1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.855 -15.105 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.591 -16.878 0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.790 -15.812 0.894 1.00 0.00 H new ATOM 454 N SER A 27 -4.349 -15.731 3.354 1.00 0.00 N ATOM 455 CA SER A 27 -3.099 -15.193 3.965 1.00 0.00 C ATOM 456 C SER A 27 -2.032 -15.034 2.886 1.00 0.00 C ATOM 457 O SER A 27 -1.442 -15.994 2.431 1.00 0.00 O ATOM 458 CB SER A 27 -2.595 -16.170 5.028 1.00 0.00 C ATOM 459 OG SER A 27 -2.262 -17.406 4.407 1.00 0.00 O ATOM 0 H SER A 27 -4.377 -16.746 3.261 1.00 0.00 H new ATOM 0 HA SER A 27 -3.305 -14.225 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.723 -15.757 5.534 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.361 -16.326 5.788 1.00 0.00 H new ATOM 0 HG SER A 27 -1.748 -17.234 3.590 1.00 0.00 H new ATOM 465 N ILE A 28 -1.775 -13.822 2.479 1.00 0.00 N ATOM 466 CA ILE A 28 -0.740 -13.579 1.434 1.00 0.00 C ATOM 467 C ILE A 28 -0.031 -12.257 1.729 1.00 0.00 C ATOM 468 O ILE A 28 -0.639 -11.299 2.170 1.00 0.00 O ATOM 469 CB ILE A 28 -1.403 -13.519 0.059 1.00 0.00 C ATOM 470 CG1 ILE A 28 -0.327 -13.311 -1.009 1.00 0.00 C ATOM 471 CG2 ILE A 28 -2.406 -12.365 0.016 1.00 0.00 C ATOM 472 CD1 ILE A 28 -0.934 -13.502 -2.399 1.00 0.00 C ATOM 0 H ILE A 28 -2.240 -12.984 2.827 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.012 -14.390 1.441 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.931 -14.453 -0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.097 -12.311 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.489 -14.017 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.875 -12.327 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.170 -12.519 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.888 -11.425 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.164 -13.353 -3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.336 -14.511 -2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.735 -12.778 -2.549 1.00 0.00 H new ATOM 484 N GLU A 29 1.257 -12.204 1.503 1.00 0.00 N ATOM 485 CA GLU A 29 2.037 -10.957 1.778 1.00 0.00 C ATOM 486 C GLU A 29 2.393 -10.261 0.465 1.00 0.00 C ATOM 487 O GLU A 29 2.891 -10.872 -0.460 1.00 0.00 O ATOM 488 CB GLU A 29 3.323 -11.333 2.519 1.00 0.00 C ATOM 489 CG GLU A 29 4.104 -10.065 2.862 1.00 0.00 C ATOM 490 CD GLU A 29 5.353 -10.433 3.666 1.00 0.00 C ATOM 491 OE1 GLU A 29 6.314 -10.877 3.060 1.00 0.00 O ATOM 492 OE2 GLU A 29 5.327 -10.263 4.874 1.00 0.00 O ATOM 0 H GLU A 29 1.808 -12.980 1.136 1.00 0.00 H new ATOM 0 HA GLU A 29 1.437 -10.279 2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.083 -11.882 3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.932 -11.992 1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.388 -9.543 1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.477 -9.384 3.437 1.00 0.00 H new ATOM 499 N GLU A 30 2.148 -8.976 0.382 1.00 0.00 N ATOM 500 CA GLU A 30 2.478 -8.219 -0.866 1.00 0.00 C ATOM 501 C GLU A 30 2.896 -6.789 -0.513 1.00 0.00 C ATOM 502 O GLU A 30 2.672 -6.311 0.584 1.00 0.00 O ATOM 503 CB GLU A 30 1.265 -8.184 -1.804 1.00 0.00 C ATOM 504 CG GLU A 30 1.074 -9.560 -2.448 1.00 0.00 C ATOM 505 CD GLU A 30 -0.158 -9.541 -3.355 1.00 0.00 C ATOM 506 OE1 GLU A 30 -0.797 -8.505 -3.434 1.00 0.00 O ATOM 507 OE2 GLU A 30 -0.440 -10.563 -3.959 1.00 0.00 O ATOM 0 H GLU A 30 1.732 -8.417 1.127 1.00 0.00 H new ATOM 0 HA GLU A 30 3.302 -8.722 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.370 -7.904 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.410 -7.427 -2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.959 -9.827 -3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.957 -10.320 -1.676 1.00 0.00 H new ATOM 514 N VAL A 31 3.511 -6.113 -1.444 1.00 0.00 N ATOM 515 CA VAL A 31 3.971 -4.717 -1.200 1.00 0.00 C ATOM 516 C VAL A 31 2.769 -3.793 -0.992 1.00 0.00 C ATOM 517 O VAL A 31 1.742 -3.930 -1.627 1.00 0.00 O ATOM 518 CB VAL A 31 4.786 -4.239 -2.406 1.00 0.00 C ATOM 519 CG1 VAL A 31 5.448 -2.896 -2.087 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.870 -5.274 -2.718 1.00 0.00 C ATOM 0 H VAL A 31 3.717 -6.474 -2.376 1.00 0.00 H new ATOM 0 HA VAL A 31 4.590 -4.694 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 31 4.126 -4.119 -3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.026 -2.562 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.680 -2.158 -1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.110 -3.011 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.455 -4.941 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.525 -5.387 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.403 -6.232 -2.947 1.00 0.00 H new ATOM 530 N ALA A 32 2.897 -2.855 -0.094 1.00 0.00 N ATOM 531 CA ALA A 32 1.779 -1.908 0.181 1.00 0.00 C ATOM 532 C ALA A 32 1.444 -1.123 -1.090 1.00 0.00 C ATOM 533 O ALA A 32 0.299 -0.815 -1.356 1.00 0.00 O ATOM 534 CB ALA A 32 2.211 -0.932 1.279 1.00 0.00 C ATOM 0 H ALA A 32 3.736 -2.703 0.466 1.00 0.00 H new ATOM 0 HA ALA A 32 0.899 -2.465 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.399 -0.235 1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.453 -1.488 2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.089 -0.377 0.948 1.00 0.00 H new ATOM 540 N ASP A 33 2.437 -0.783 -1.868 1.00 0.00 N ATOM 541 CA ASP A 33 2.180 -0.002 -3.113 1.00 0.00 C ATOM 542 C ASP A 33 1.449 -0.882 -4.134 1.00 0.00 C ATOM 543 O ASP A 33 0.956 -0.403 -5.134 1.00 0.00 O ATOM 544 CB ASP A 33 3.518 0.457 -3.701 1.00 0.00 C ATOM 545 CG ASP A 33 3.271 1.471 -4.820 1.00 0.00 C ATOM 546 OD1 ASP A 33 2.121 1.663 -5.177 1.00 0.00 O ATOM 547 OD2 ASP A 33 4.238 2.042 -5.298 1.00 0.00 O ATOM 0 H ASP A 33 3.416 -1.013 -1.695 1.00 0.00 H new ATOM 0 HA ASP A 33 1.562 0.865 -2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.134 0.905 -2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.068 -0.400 -4.089 1.00 0.00 H new ATOM 552 N ASP A 34 1.376 -2.165 -3.889 1.00 0.00 N ATOM 553 CA ASP A 34 0.674 -3.077 -4.846 1.00 0.00 C ATOM 554 C ASP A 34 -0.785 -3.252 -4.416 1.00 0.00 C ATOM 555 O ASP A 34 -1.567 -3.890 -5.093 1.00 0.00 O ATOM 556 CB ASP A 34 1.368 -4.442 -4.846 1.00 0.00 C ATOM 557 CG ASP A 34 2.747 -4.313 -5.495 1.00 0.00 C ATOM 558 OD1 ASP A 34 3.016 -3.266 -6.062 1.00 0.00 O ATOM 559 OD2 ASP A 34 3.508 -5.262 -5.417 1.00 0.00 O ATOM 0 H ASP A 34 1.772 -2.622 -3.068 1.00 0.00 H new ATOM 0 HA ASP A 34 0.707 -2.646 -5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.468 -4.811 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.765 -5.169 -5.390 1.00 0.00 H new ATOM 564 N ILE A 35 -1.152 -2.695 -3.290 1.00 0.00 N ATOM 565 CA ILE A 35 -2.559 -2.825 -2.789 1.00 0.00 C ATOM 566 C ILE A 35 -3.098 -1.450 -2.392 1.00 0.00 C ATOM 567 O ILE A 35 -4.285 -1.199 -2.454 1.00 0.00 O ATOM 568 CB ILE A 35 -2.562 -3.741 -1.565 1.00 0.00 C ATOM 569 CG1 ILE A 35 -1.457 -3.298 -0.598 1.00 0.00 C ATOM 570 CG2 ILE A 35 -2.305 -5.183 -2.006 1.00 0.00 C ATOM 571 CD1 ILE A 35 -1.613 -4.023 0.738 1.00 0.00 C ATOM 0 H ILE A 35 -0.533 -2.150 -2.689 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.190 -3.243 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.530 -3.682 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.478 -3.514 -1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.507 -2.220 -0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.307 -5.836 -1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.088 -5.497 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.337 -5.244 -2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.825 -3.703 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.585 -3.785 1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.541 -5.099 0.579 1.00 0.00 H new ATOM 583 N LEU A 36 -2.231 -0.563 -1.974 1.00 0.00 N ATOM 584 CA LEU A 36 -2.673 0.803 -1.553 1.00 0.00 C ATOM 585 C LEU A 36 -2.242 1.831 -2.622 1.00 0.00 C ATOM 586 O LEU A 36 -1.066 2.090 -2.780 1.00 0.00 O ATOM 587 CB LEU A 36 -2.006 1.148 -0.214 1.00 0.00 C ATOM 588 CG LEU A 36 -2.701 0.380 0.934 1.00 0.00 C ATOM 589 CD1 LEU A 36 -1.739 0.227 2.115 1.00 0.00 C ATOM 590 CD2 LEU A 36 -3.949 1.139 1.409 1.00 0.00 C ATOM 0 H LEU A 36 -1.227 -0.728 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.757 0.827 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.948 0.889 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.066 2.221 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.993 -0.602 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.235 -0.315 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.856 -0.326 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.440 1.213 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.426 0.585 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.660 2.127 1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.648 1.245 0.579 1.00 0.00 H new ATOM 602 N PRO A 37 -3.171 2.422 -3.352 1.00 0.00 N ATOM 603 CA PRO A 37 -2.831 3.431 -4.404 1.00 0.00 C ATOM 604 C PRO A 37 -1.906 4.541 -3.888 1.00 0.00 C ATOM 605 O PRO A 37 -1.921 4.897 -2.726 1.00 0.00 O ATOM 606 CB PRO A 37 -4.195 4.016 -4.816 1.00 0.00 C ATOM 607 CG PRO A 37 -5.196 2.960 -4.474 1.00 0.00 C ATOM 608 CD PRO A 37 -4.628 2.192 -3.277 1.00 0.00 C ATOM 0 HA PRO A 37 -2.286 2.972 -5.229 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.403 4.943 -4.282 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.218 4.250 -5.880 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.160 3.405 -4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.360 2.293 -5.320 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.041 2.559 -2.337 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.866 1.130 -3.337 1.00 0.00 H new ATOM 616 N ASP A 38 -1.094 5.081 -4.758 1.00 0.00 N ATOM 617 CA ASP A 38 -0.155 6.162 -4.346 1.00 0.00 C ATOM 618 C ASP A 38 -0.920 7.233 -3.570 1.00 0.00 C ATOM 619 O ASP A 38 -0.337 8.103 -2.953 1.00 0.00 O ATOM 620 CB ASP A 38 0.470 6.784 -5.597 1.00 0.00 C ATOM 621 CG ASP A 38 1.466 5.802 -6.216 1.00 0.00 C ATOM 622 OD1 ASP A 38 1.841 4.860 -5.538 1.00 0.00 O ATOM 623 OD2 ASP A 38 1.836 6.008 -7.361 1.00 0.00 O ATOM 0 H ASP A 38 -1.042 4.817 -5.742 1.00 0.00 H new ATOM 0 HA ASP A 38 0.628 5.748 -3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.308 7.032 -6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.975 7.715 -5.339 1.00 0.00 H new ATOM 628 N GLN A 39 -2.222 7.182 -3.606 1.00 0.00 N ATOM 629 CA GLN A 39 -3.035 8.198 -2.880 1.00 0.00 C ATOM 630 C GLN A 39 -2.874 8.024 -1.365 1.00 0.00 C ATOM 631 O GLN A 39 -2.782 8.989 -0.633 1.00 0.00 O ATOM 632 CB GLN A 39 -4.506 8.020 -3.265 1.00 0.00 C ATOM 633 CG GLN A 39 -5.357 9.127 -2.632 1.00 0.00 C ATOM 634 CD GLN A 39 -4.959 10.482 -3.223 1.00 0.00 C ATOM 635 OE1 GLN A 39 -4.663 10.581 -4.397 1.00 0.00 O ATOM 636 NE2 GLN A 39 -4.944 11.535 -2.455 1.00 0.00 N ATOM 0 H GLN A 39 -2.761 6.477 -4.109 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.695 9.197 -3.153 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.611 8.046 -4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.861 7.044 -2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.415 8.936 -2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.216 9.135 -1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.193 11.451 -1.469 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.684 12.443 -2.840 1.00 0.00 H new ATOM 645 N TYR A 40 -2.857 6.803 -0.886 1.00 0.00 N ATOM 646 CA TYR A 40 -2.724 6.566 0.589 1.00 0.00 C ATOM 647 C TYR A 40 -1.305 6.106 0.929 1.00 0.00 C ATOM 648 O TYR A 40 -0.998 5.832 2.072 1.00 0.00 O ATOM 649 CB TYR A 40 -3.716 5.483 1.013 1.00 0.00 C ATOM 650 CG TYR A 40 -5.124 5.987 0.806 1.00 0.00 C ATOM 651 CD1 TYR A 40 -5.752 5.828 -0.435 1.00 0.00 C ATOM 652 CD2 TYR A 40 -5.801 6.617 1.856 1.00 0.00 C ATOM 653 CE1 TYR A 40 -7.056 6.299 -0.626 1.00 0.00 C ATOM 654 CE2 TYR A 40 -7.105 7.088 1.667 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.733 6.929 0.426 1.00 0.00 C ATOM 656 OH TYR A 40 -9.019 7.395 0.239 1.00 0.00 O ATOM 0 H TYR A 40 -2.930 5.958 -1.453 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.932 7.496 1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.553 4.576 0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.561 5.222 2.060 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.230 5.342 -1.246 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.317 6.740 2.813 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.540 6.177 -1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.627 7.574 2.478 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.343 7.804 1.069 1.00 0.00 H new ATOM 666 N VAL A 41 -0.438 6.021 -0.048 1.00 0.00 N ATOM 667 CA VAL A 41 0.971 5.582 0.215 1.00 0.00 C ATOM 668 C VAL A 41 1.917 6.769 0.031 1.00 0.00 C ATOM 669 O VAL A 41 3.082 6.707 0.369 1.00 0.00 O ATOM 670 CB VAL A 41 1.351 4.471 -0.762 1.00 0.00 C ATOM 671 CG1 VAL A 41 2.730 3.924 -0.404 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.318 3.347 -0.681 1.00 0.00 C ATOM 0 H VAL A 41 -0.645 6.238 -1.023 1.00 0.00 H new ATOM 0 HA VAL A 41 1.050 5.209 1.236 1.00 0.00 H new ATOM 0 HB VAL A 41 1.374 4.871 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.999 3.131 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.466 4.726 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.711 3.524 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.588 2.554 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.294 2.947 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.666 3.738 -0.940 1.00 0.00 H new ATOM 682 N ARG A 42 1.425 7.853 -0.503 1.00 0.00 N ATOM 683 CA ARG A 42 2.293 9.048 -0.707 1.00 0.00 C ATOM 684 C ARG A 42 3.025 9.363 0.598 1.00 0.00 C ATOM 685 O ARG A 42 3.979 10.112 0.626 1.00 0.00 O ATOM 686 CB ARG A 42 1.421 10.240 -1.116 1.00 0.00 C ATOM 687 CG ARG A 42 2.307 11.452 -1.417 1.00 0.00 C ATOM 688 CD ARG A 42 1.449 12.590 -1.973 1.00 0.00 C ATOM 689 NE ARG A 42 0.477 13.039 -0.935 1.00 0.00 N ATOM 690 CZ ARG A 42 -0.439 13.918 -1.235 1.00 0.00 C ATOM 691 NH1 ARG A 42 -0.489 14.424 -2.438 1.00 0.00 N ATOM 692 NH2 ARG A 42 -1.301 14.296 -0.333 1.00 0.00 N ATOM 0 H ARG A 42 0.458 7.963 -0.807 1.00 0.00 H new ATOM 0 HA ARG A 42 3.023 8.850 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.828 9.984 -1.994 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.720 10.480 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.816 11.777 -0.510 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.080 11.181 -2.136 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.084 13.423 -2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.917 12.256 -2.863 1.00 0.00 H new ATOM 0 HE ARG A 42 0.528 12.659 0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.188 14.132 -3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.205 15.111 -2.673 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.259 13.904 0.608 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.017 14.983 -0.568 1.00 0.00 H new ATOM 706 N LEU A 43 2.580 8.790 1.683 1.00 0.00 N ATOM 707 CA LEU A 43 3.240 9.050 2.992 1.00 0.00 C ATOM 708 C LEU A 43 4.727 8.699 2.886 1.00 0.00 C ATOM 709 O LEU A 43 5.572 9.567 2.789 1.00 0.00 O ATOM 710 CB LEU A 43 2.590 8.171 4.063 1.00 0.00 C ATOM 711 CG LEU A 43 1.070 8.370 4.047 1.00 0.00 C ATOM 712 CD1 LEU A 43 0.428 7.441 5.082 1.00 0.00 C ATOM 713 CD2 LEU A 43 0.732 9.830 4.385 1.00 0.00 C ATOM 0 H LEU A 43 1.785 8.151 1.718 1.00 0.00 H new ATOM 0 HA LEU A 43 3.129 10.101 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.831 7.123 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.989 8.424 5.045 1.00 0.00 H new ATOM 0 HG LEU A 43 0.684 8.136 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.653 7.579 5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.663 6.405 4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.817 7.676 6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.349 9.965 4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.116 10.072 5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.189 10.489 3.647 1.00 0.00 H new ATOM 725 N GLY A 44 5.056 7.430 2.895 1.00 0.00 N ATOM 726 CA GLY A 44 6.492 7.018 2.788 1.00 0.00 C ATOM 727 C GLY A 44 6.754 5.805 3.686 1.00 0.00 C ATOM 728 O GLY A 44 7.171 4.761 3.221 1.00 0.00 O ATOM 0 H GLY A 44 4.391 6.660 2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.734 6.775 1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.139 7.845 3.080 1.00 0.00 H new ATOM 732 N PRO A 45 6.513 5.939 4.965 1.00 0.00 N ATOM 733 CA PRO A 45 6.731 4.831 5.945 1.00 0.00 C ATOM 734 C PRO A 45 6.044 3.532 5.502 1.00 0.00 C ATOM 735 O PRO A 45 6.588 2.452 5.631 1.00 0.00 O ATOM 736 CB PRO A 45 6.100 5.363 7.244 1.00 0.00 C ATOM 737 CG PRO A 45 6.130 6.854 7.113 1.00 0.00 C ATOM 738 CD PRO A 45 6.007 7.157 5.617 1.00 0.00 C ATOM 0 HA PRO A 45 7.786 4.578 6.050 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.080 4.999 7.364 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.661 5.033 8.118 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.312 7.310 7.670 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.057 7.261 7.517 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.974 7.361 5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.593 8.032 5.337 1.00 0.00 H new ATOM 746 N LEU A 46 4.853 3.635 4.976 1.00 0.00 N ATOM 747 CA LEU A 46 4.122 2.418 4.517 1.00 0.00 C ATOM 748 C LEU A 46 4.477 2.148 3.054 1.00 0.00 C ATOM 749 O LEU A 46 4.097 1.144 2.484 1.00 0.00 O ATOM 750 CB LEU A 46 2.613 2.662 4.634 1.00 0.00 C ATOM 751 CG LEU A 46 2.244 2.985 6.089 1.00 0.00 C ATOM 752 CD1 LEU A 46 0.748 3.303 6.169 1.00 0.00 C ATOM 753 CD2 LEU A 46 2.567 1.782 6.995 1.00 0.00 C ATOM 0 H LEU A 46 4.353 4.514 4.844 1.00 0.00 H new ATOM 0 HA LEU A 46 4.403 1.562 5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.318 3.486 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.067 1.780 4.299 1.00 0.00 H new ATOM 0 HG LEU A 46 2.822 3.845 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.480 3.533 7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.524 4.161 5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.174 2.441 5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.302 2.021 8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.996 0.914 6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.632 1.559 6.937 1.00 0.00 H new ATOM 765 N SER A 47 5.196 3.049 2.439 1.00 0.00 N ATOM 766 CA SER A 47 5.572 2.865 1.008 1.00 0.00 C ATOM 767 C SER A 47 6.706 1.848 0.870 1.00 0.00 C ATOM 768 O SER A 47 7.542 1.704 1.739 1.00 0.00 O ATOM 769 CB SER A 47 6.020 4.208 0.429 1.00 0.00 C ATOM 770 OG SER A 47 7.384 4.432 0.763 1.00 0.00 O ATOM 0 H SER A 47 5.540 3.908 2.869 1.00 0.00 H new ATOM 0 HA SER A 47 4.705 2.492 0.463 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.894 4.211 -0.654 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.400 5.013 0.824 1.00 0.00 H new ATOM 0 HG SER A 47 7.470 4.535 1.734 1.00 0.00 H new ATOM 776 N ASN A 48 6.732 1.152 -0.236 1.00 0.00 N ATOM 777 CA ASN A 48 7.799 0.141 -0.479 1.00 0.00 C ATOM 778 C ASN A 48 7.935 -0.786 0.729 1.00 0.00 C ATOM 779 O ASN A 48 8.831 -1.604 0.793 1.00 0.00 O ATOM 780 CB ASN A 48 9.128 0.856 -0.728 1.00 0.00 C ATOM 781 CG ASN A 48 9.022 1.713 -1.993 1.00 0.00 C ATOM 782 OD1 ASN A 48 9.694 2.718 -2.114 1.00 0.00 O ATOM 783 ND2 ASN A 48 8.201 1.360 -2.946 1.00 0.00 N ATOM 0 H ASN A 48 6.050 1.243 -0.989 1.00 0.00 H new ATOM 0 HA ASN A 48 7.532 -0.455 -1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.381 1.482 0.127 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.930 0.126 -0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.125 1.928 -3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.636 0.517 -2.846 1.00 0.00 H new ATOM 790 N LYS A 49 7.056 -0.674 1.690 1.00 0.00 N ATOM 791 CA LYS A 49 7.144 -1.560 2.889 1.00 0.00 C ATOM 792 C LYS A 49 6.290 -2.803 2.651 1.00 0.00 C ATOM 793 O LYS A 49 5.190 -2.727 2.138 1.00 0.00 O ATOM 794 CB LYS A 49 6.637 -0.807 4.126 1.00 0.00 C ATOM 795 CG LYS A 49 6.885 -1.637 5.399 1.00 0.00 C ATOM 796 CD LYS A 49 8.354 -1.518 5.838 1.00 0.00 C ATOM 797 CE LYS A 49 8.523 -2.130 7.229 1.00 0.00 C ATOM 798 NZ LYS A 49 8.329 -3.605 7.146 1.00 0.00 N ATOM 0 H LYS A 49 6.283 -0.009 1.697 1.00 0.00 H new ATOM 0 HA LYS A 49 8.180 -1.855 3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.143 0.155 4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.572 -0.599 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.230 -1.292 6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.638 -2.682 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.000 -2.028 5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.657 -0.471 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.515 -1.904 7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.801 -1.695 7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.325 -4.009 8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.422 -3.810 6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.104 -4.027 6.596 1.00 0.00 H new ATOM 812 N ILE A 50 6.789 -3.948 3.019 1.00 0.00 N ATOM 813 CA ILE A 50 6.012 -5.200 2.813 1.00 0.00 C ATOM 814 C ILE A 50 4.956 -5.325 3.912 1.00 0.00 C ATOM 815 O ILE A 50 5.267 -5.325 5.086 1.00 0.00 O ATOM 816 CB ILE A 50 6.965 -6.395 2.878 1.00 0.00 C ATOM 817 CG1 ILE A 50 8.156 -6.157 1.939 1.00 0.00 C ATOM 818 CG2 ILE A 50 6.225 -7.667 2.469 1.00 0.00 C ATOM 819 CD1 ILE A 50 7.664 -5.806 0.530 1.00 0.00 C ATOM 0 H ILE A 50 7.703 -4.071 3.454 1.00 0.00 H new ATOM 0 HA ILE A 50 5.520 -5.177 1.840 1.00 0.00 H new ATOM 0 HB ILE A 50 7.332 -6.509 3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.777 -5.349 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.781 -7.049 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.907 -8.516 2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.388 -7.835 3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.851 -7.559 1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.520 -5.640 -0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.063 -6.627 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.058 -4.901 0.571 1.00 0.00 H new ATOM 831 N LEU A 51 3.705 -5.433 3.530 1.00 0.00 N ATOM 832 CA LEU A 51 2.601 -5.559 4.534 1.00 0.00 C ATOM 833 C LEU A 51 1.881 -6.891 4.335 1.00 0.00 C ATOM 834 O LEU A 51 1.615 -7.310 3.222 1.00 0.00 O ATOM 835 CB LEU A 51 1.607 -4.409 4.349 1.00 0.00 C ATOM 836 CG LEU A 51 2.327 -3.063 4.520 1.00 0.00 C ATOM 837 CD1 LEU A 51 1.335 -1.924 4.270 1.00 0.00 C ATOM 838 CD2 LEU A 51 2.897 -2.949 5.946 1.00 0.00 C ATOM 0 H LEU A 51 3.400 -5.439 2.557 1.00 0.00 H new ATOM 0 HA LEU A 51 3.019 -5.519 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.153 -4.465 3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.799 -4.494 5.076 1.00 0.00 H new ATOM 0 HG LEU A 51 3.147 -2.999 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.842 -0.967 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.941 -2.001 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.515 -1.992 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.406 -1.992 6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.084 -3.015 6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.605 -3.759 6.121 1.00 0.00 H new ATOM 850 N GLN A 52 1.562 -7.561 5.410 1.00 0.00 N ATOM 851 CA GLN A 52 0.857 -8.862 5.287 1.00 0.00 C ATOM 852 C GLN A 52 -0.571 -8.612 4.808 1.00 0.00 C ATOM 853 O GLN A 52 -1.409 -8.121 5.540 1.00 0.00 O ATOM 854 CB GLN A 52 0.844 -9.564 6.647 1.00 0.00 C ATOM 855 CG GLN A 52 2.269 -9.994 7.000 1.00 0.00 C ATOM 856 CD GLN A 52 2.284 -10.664 8.374 1.00 0.00 C ATOM 857 OE1 GLN A 52 2.014 -11.844 8.491 1.00 0.00 O ATOM 858 NE2 GLN A 52 2.599 -9.959 9.427 1.00 0.00 N ATOM 0 H GLN A 52 1.760 -7.261 6.365 1.00 0.00 H new ATOM 0 HA GLN A 52 1.371 -9.499 4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.452 -8.894 7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.186 -10.432 6.616 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.648 -10.683 6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.930 -9.127 7.001 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.826 -8.969 9.329 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.619 -10.398 10.347 1.00 0.00 H new ATOM 867 N THR A 53 -0.851 -8.933 3.572 1.00 0.00 N ATOM 868 CA THR A 53 -2.220 -8.701 3.031 1.00 0.00 C ATOM 869 C THR A 53 -3.133 -9.861 3.421 1.00 0.00 C ATOM 870 O THR A 53 -2.838 -11.014 3.179 1.00 0.00 O ATOM 871 CB THR A 53 -2.156 -8.583 1.502 1.00 0.00 C ATOM 872 OG1 THR A 53 -1.510 -7.366 1.153 1.00 0.00 O ATOM 873 CG2 THR A 53 -3.574 -8.590 0.918 1.00 0.00 C ATOM 0 H THR A 53 -0.189 -9.346 2.915 1.00 0.00 H new ATOM 0 HA THR A 53 -2.620 -7.776 3.447 1.00 0.00 H new ATOM 0 HB THR A 53 -1.598 -9.428 1.099 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.322 -7.359 0.191 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.521 -8.506 -0.167 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.073 -9.521 1.186 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.137 -7.748 1.320 1.00 0.00 H new ATOM 881 N ASN A 54 -4.256 -9.546 4.012 1.00 0.00 N ATOM 882 CA ASN A 54 -5.238 -10.593 4.420 1.00 0.00 C ATOM 883 C ASN A 54 -6.606 -10.200 3.873 1.00 0.00 C ATOM 884 O ASN A 54 -7.187 -9.215 4.284 1.00 0.00 O ATOM 885 CB ASN A 54 -5.297 -10.674 5.950 1.00 0.00 C ATOM 886 CG ASN A 54 -5.995 -11.972 6.365 1.00 0.00 C ATOM 887 OD1 ASN A 54 -7.132 -11.953 6.793 1.00 0.00 O ATOM 888 ND2 ASN A 54 -5.357 -13.106 6.254 1.00 0.00 N ATOM 0 H ASN A 54 -4.538 -8.591 4.233 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.940 -11.565 4.028 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.290 -10.641 6.366 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.835 -9.815 6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.813 -13.977 6.527 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.403 -13.121 5.895 1.00 0.00 H new ATOM 895 N THR A 55 -7.120 -10.959 2.938 1.00 0.00 N ATOM 896 CA THR A 55 -8.456 -10.636 2.336 1.00 0.00 C ATOM 897 C THR A 55 -9.434 -11.771 2.620 1.00 0.00 C ATOM 898 O THR A 55 -9.056 -12.924 2.701 1.00 0.00 O ATOM 899 CB THR A 55 -8.305 -10.458 0.815 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.342 -11.380 0.326 1.00 0.00 O ATOM 901 CG2 THR A 55 -7.858 -9.030 0.497 1.00 0.00 C ATOM 0 H THR A 55 -6.671 -11.794 2.562 1.00 0.00 H new ATOM 0 HA THR A 55 -8.836 -9.713 2.775 1.00 0.00 H new ATOM 0 HB THR A 55 -9.266 -10.644 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.246 -11.269 -0.643 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.754 -8.913 -0.582 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.602 -8.325 0.868 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.900 -8.833 0.978 1.00 0.00 H new ATOM 909 N TYR A 56 -10.695 -11.444 2.764 1.00 0.00 N ATOM 910 CA TYR A 56 -11.730 -12.497 3.038 1.00 0.00 C ATOM 911 C TYR A 56 -12.673 -12.584 1.836 1.00 0.00 C ATOM 912 O TYR A 56 -13.190 -11.587 1.371 1.00 0.00 O ATOM 913 CB TYR A 56 -12.525 -12.125 4.297 1.00 0.00 C ATOM 914 CG TYR A 56 -11.564 -11.845 5.430 1.00 0.00 C ATOM 915 CD1 TYR A 56 -10.804 -10.668 5.421 1.00 0.00 C ATOM 916 CD2 TYR A 56 -11.423 -12.760 6.482 1.00 0.00 C ATOM 917 CE1 TYR A 56 -9.907 -10.406 6.462 1.00 0.00 C ATOM 918 CE2 TYR A 56 -10.524 -12.495 7.523 1.00 0.00 C ATOM 919 CZ TYR A 56 -9.766 -11.319 7.513 1.00 0.00 C ATOM 920 OH TYR A 56 -8.881 -11.059 8.538 1.00 0.00 O ATOM 0 H TYR A 56 -11.056 -10.492 2.704 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.246 -13.461 3.198 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -13.144 -11.248 4.105 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.199 -12.937 4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.911 -9.963 4.610 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -12.007 -13.669 6.490 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.323 -9.498 6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -10.416 -13.199 8.334 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.975 -11.307 8.259 1.00 0.00 H new ATOM 930 N TYR A 57 -12.892 -13.772 1.324 1.00 0.00 N ATOM 931 CA TYR A 57 -13.793 -13.949 0.139 1.00 0.00 C ATOM 932 C TYR A 57 -14.970 -14.850 0.513 1.00 0.00 C ATOM 933 O TYR A 57 -14.798 -15.920 1.065 1.00 0.00 O ATOM 934 CB TYR A 57 -13.000 -14.588 -1.004 1.00 0.00 C ATOM 935 CG TYR A 57 -12.032 -13.572 -1.565 1.00 0.00 C ATOM 936 CD1 TYR A 57 -10.742 -13.459 -1.034 1.00 0.00 C ATOM 937 CD2 TYR A 57 -12.431 -12.738 -2.617 1.00 0.00 C ATOM 938 CE1 TYR A 57 -9.850 -12.511 -1.555 1.00 0.00 C ATOM 939 CE2 TYR A 57 -11.541 -11.790 -3.136 1.00 0.00 C ATOM 940 CZ TYR A 57 -10.250 -11.678 -2.606 1.00 0.00 C ATOM 941 OH TYR A 57 -9.372 -10.742 -3.117 1.00 0.00 O ATOM 0 H TYR A 57 -12.481 -14.635 1.680 1.00 0.00 H new ATOM 0 HA TYR A 57 -14.174 -12.978 -0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.459 -15.463 -0.643 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -13.678 -14.932 -1.785 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -10.434 -14.102 -0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.426 -12.826 -3.028 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.855 -12.424 -1.145 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.850 -11.145 -3.945 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.779 -10.300 -3.891 1.00 0.00 H new ATOM 951 N SER A 58 -16.170 -14.417 0.216 1.00 0.00 N ATOM 952 CA SER A 58 -17.385 -15.227 0.546 1.00 0.00 C ATOM 953 C SER A 58 -18.347 -15.223 -0.642 1.00 0.00 C ATOM 954 O SER A 58 -18.263 -14.389 -1.521 1.00 0.00 O ATOM 955 CB SER A 58 -18.085 -14.621 1.758 1.00 0.00 C ATOM 956 OG SER A 58 -17.125 -14.377 2.772 1.00 0.00 O ATOM 0 H SER A 58 -16.362 -13.528 -0.246 1.00 0.00 H new ATOM 0 HA SER A 58 -17.084 -16.251 0.767 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.583 -13.692 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.856 -15.298 2.125 1.00 0.00 H new ATOM 0 HG SER A 58 -17.543 -13.880 3.506 1.00 0.00 H new ATOM 962 N ASP A 59 -19.261 -16.152 -0.670 1.00 0.00 N ATOM 963 CA ASP A 59 -20.237 -16.211 -1.794 1.00 0.00 C ATOM 964 C ASP A 59 -21.050 -14.914 -1.833 1.00 0.00 C ATOM 965 O ASP A 59 -21.249 -14.324 -2.877 1.00 0.00 O ATOM 966 CB ASP A 59 -21.183 -17.393 -1.573 1.00 0.00 C ATOM 967 CG ASP A 59 -20.433 -18.704 -1.809 1.00 0.00 C ATOM 968 OD1 ASP A 59 -19.361 -18.653 -2.389 1.00 0.00 O ATOM 969 OD2 ASP A 59 -20.942 -19.736 -1.404 1.00 0.00 O ATOM 0 H ASP A 59 -19.375 -16.876 0.040 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.704 -16.334 -2.737 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.581 -17.368 -0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -22.034 -17.322 -2.251 1.00 0.00 H new ATOM 974 N THR A 60 -21.520 -14.468 -0.700 1.00 0.00 N ATOM 975 CA THR A 60 -22.321 -13.211 -0.663 1.00 0.00 C ATOM 976 C THR A 60 -21.447 -12.036 -1.113 1.00 0.00 C ATOM 977 O THR A 60 -21.871 -11.186 -1.870 1.00 0.00 O ATOM 978 CB THR A 60 -22.814 -12.966 0.768 1.00 0.00 C ATOM 979 OG1 THR A 60 -23.405 -14.154 1.274 1.00 0.00 O ATOM 980 CG2 THR A 60 -23.850 -11.840 0.774 1.00 0.00 C ATOM 0 H THR A 60 -21.384 -14.921 0.204 1.00 0.00 H new ATOM 0 HA THR A 60 -23.177 -13.302 -1.332 1.00 0.00 H new ATOM 0 HB THR A 60 -21.969 -12.681 1.395 1.00 0.00 H new ATOM 0 HG1 THR A 60 -22.956 -14.414 2.105 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.197 -11.670 1.793 1.00 0.00 H new ATOM 0 HG22 THR A 60 -23.397 -10.927 0.388 1.00 0.00 H new ATOM 0 HG23 THR A 60 -24.695 -12.120 0.145 1.00 0.00 H new ATOM 988 N LEU A 61 -20.231 -11.976 -0.641 1.00 0.00 N ATOM 989 CA LEU A 61 -19.330 -10.853 -1.024 1.00 0.00 C ATOM 990 C LEU A 61 -19.078 -10.877 -2.535 1.00 0.00 C ATOM 991 O LEU A 61 -19.064 -9.849 -3.184 1.00 0.00 O ATOM 992 CB LEU A 61 -17.998 -11.001 -0.288 1.00 0.00 C ATOM 993 CG LEU A 61 -18.206 -10.768 1.216 1.00 0.00 C ATOM 994 CD1 LEU A 61 -16.924 -11.145 1.966 1.00 0.00 C ATOM 995 CD2 LEU A 61 -18.560 -9.291 1.494 1.00 0.00 C ATOM 0 H LEU A 61 -19.822 -12.660 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 61 -19.800 -9.908 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.587 -11.996 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.274 -10.286 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 61 -19.032 -11.390 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -17.066 -10.982 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -16.693 -12.195 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -16.100 -10.527 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -18.703 -9.147 2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -17.749 -8.651 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -19.478 -9.031 0.967 1.00 0.00 H new ATOM 1007 N HIS A 62 -18.876 -12.034 -3.103 1.00 0.00 N ATOM 1008 CA HIS A 62 -18.625 -12.104 -4.569 1.00 0.00 C ATOM 1009 C HIS A 62 -19.810 -11.482 -5.307 1.00 0.00 C ATOM 1010 O HIS A 62 -19.645 -10.757 -6.268 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.476 -13.565 -4.992 1.00 0.00 C ATOM 1012 CG HIS A 62 -17.181 -14.116 -4.464 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -17.140 -15.132 -3.521 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -15.874 -13.802 -4.734 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -15.845 -15.390 -3.261 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -15.031 -14.607 -3.973 1.00 0.00 N ATOM 0 H HIS A 62 -18.874 -12.931 -2.617 1.00 0.00 H new ATOM 0 HA HIS A 62 -17.711 -11.562 -4.812 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -19.313 -14.151 -4.612 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -18.499 -13.643 -6.079 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -15.548 -13.045 -5.432 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -15.505 -16.139 -2.561 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -14.011 -14.600 -3.962 1.00 0.00 H new ATOM 1024 N LYS A 63 -21.002 -11.761 -4.863 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.204 -11.187 -5.530 1.00 0.00 C ATOM 1026 C LYS A 63 -22.172 -9.663 -5.400 1.00 0.00 C ATOM 1027 O LYS A 63 -22.478 -8.946 -6.332 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.461 -11.736 -4.855 1.00 0.00 C ATOM 1029 CG LYS A 63 -23.574 -13.234 -5.143 1.00 0.00 C ATOM 1030 CD LYS A 63 -24.793 -13.806 -4.416 1.00 0.00 C ATOM 1031 CE LYS A 63 -24.858 -15.318 -4.644 1.00 0.00 C ATOM 1032 NZ LYS A 63 -25.168 -15.593 -6.075 1.00 0.00 N ATOM 0 H LYS A 63 -21.197 -12.364 -4.064 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.210 -11.460 -6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.416 -11.563 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -24.344 -11.215 -5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -23.666 -13.402 -6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -22.669 -13.747 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -24.728 -13.590 -3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -25.704 -13.332 -4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -23.908 -15.778 -4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -25.622 -15.760 -4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -25.461 -16.585 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -25.938 -14.968 -6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -24.322 -15.418 -6.653 1.00 0.00 H new ATOM 1046 N SER A 64 -21.800 -9.162 -4.252 1.00 0.00 N ATOM 1047 CA SER A 64 -21.744 -7.684 -4.064 1.00 0.00 C ATOM 1048 C SER A 64 -20.440 -7.152 -4.664 1.00 0.00 C ATOM 1049 O SER A 64 -20.227 -5.958 -4.755 1.00 0.00 O ATOM 1050 CB SER A 64 -21.788 -7.355 -2.571 1.00 0.00 C ATOM 1051 OG SER A 64 -23.025 -7.799 -2.027 1.00 0.00 O ATOM 0 H SER A 64 -21.533 -9.713 -3.436 1.00 0.00 H new ATOM 0 HA SER A 64 -22.596 -7.219 -4.561 1.00 0.00 H new ATOM 0 HB2 SER A 64 -20.957 -7.838 -2.056 1.00 0.00 H new ATOM 0 HB3 SER A 64 -21.676 -6.281 -2.420 1.00 0.00 H new ATOM 0 HG SER A 64 -23.055 -7.591 -1.070 1.00 0.00 H new ATOM 1057 N ASN A 65 -19.566 -8.031 -5.072 1.00 0.00 N ATOM 1058 CA ASN A 65 -18.275 -7.584 -5.665 1.00 0.00 C ATOM 1059 C ASN A 65 -17.545 -6.676 -4.676 1.00 0.00 C ATOM 1060 O ASN A 65 -17.026 -5.639 -5.041 1.00 0.00 O ATOM 1061 CB ASN A 65 -18.536 -6.825 -6.970 1.00 0.00 C ATOM 1062 CG ASN A 65 -17.233 -6.723 -7.766 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -16.434 -7.639 -7.762 1.00 0.00 O ATOM 1064 ND2 ASN A 65 -16.985 -5.645 -8.456 1.00 0.00 N ATOM 0 H ASN A 65 -19.691 -9.042 -5.020 1.00 0.00 H new ATOM 0 HA ASN A 65 -17.657 -8.456 -5.879 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.295 -7.340 -7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.922 -5.829 -6.754 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.121 -5.570 -8.992 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.655 -4.876 -8.460 1.00 0.00 H new ATOM 1071 N ILE A 66 -17.503 -7.061 -3.425 1.00 0.00 N ATOM 1072 CA ILE A 66 -16.809 -6.235 -2.388 1.00 0.00 C ATOM 1073 C ILE A 66 -15.561 -6.970 -1.908 1.00 0.00 C ATOM 1074 O ILE A 66 -15.594 -8.149 -1.613 1.00 0.00 O ATOM 1075 CB ILE A 66 -17.756 -5.995 -1.212 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -18.934 -5.141 -1.689 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.005 -5.266 -0.095 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -19.996 -5.063 -0.592 1.00 0.00 C ATOM 0 H ILE A 66 -17.924 -7.921 -3.074 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.519 -5.275 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.126 -6.947 -0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -18.589 -4.139 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -19.364 -5.571 -2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -17.679 -5.094 0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.163 -5.874 0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.638 -4.310 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.832 -4.454 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.351 -6.066 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.564 -4.613 0.302 1.00 0.00 H new ATOM 1090 N TYR A 67 -14.447 -6.279 -1.852 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.168 -6.925 -1.419 1.00 0.00 C ATOM 1092 C TYR A 67 -12.769 -6.432 -0.014 1.00 0.00 C ATOM 1093 O TYR A 67 -12.312 -5.317 0.136 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.066 -6.539 -2.408 1.00 0.00 C ATOM 1095 CG TYR A 67 -12.322 -7.231 -3.727 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -13.399 -6.830 -4.530 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -11.493 -8.282 -4.145 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -13.646 -7.478 -5.747 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -11.740 -8.927 -5.363 1.00 0.00 C ATOM 1100 CZ TYR A 67 -12.816 -8.525 -6.163 1.00 0.00 C ATOM 1101 OH TYR A 67 -13.060 -9.165 -7.363 1.00 0.00 O ATOM 0 H TYR A 67 -14.369 -5.290 -2.089 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.302 -8.006 -1.393 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.048 -5.458 -2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.091 -6.826 -2.015 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.039 -6.021 -4.210 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -10.664 -8.594 -3.527 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -14.477 -7.170 -6.364 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -11.100 -9.735 -5.685 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.390 -9.867 -7.502 1.00 0.00 H new ATOM 1111 N PRO A 68 -12.921 -7.245 1.016 1.00 0.00 N ATOM 1112 CA PRO A 68 -12.542 -6.844 2.403 1.00 0.00 C ATOM 1113 C PRO A 68 -11.030 -6.961 2.612 1.00 0.00 C ATOM 1114 O PRO A 68 -10.449 -8.023 2.429 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.301 -7.838 3.282 1.00 0.00 C ATOM 1116 CG PRO A 68 -13.389 -9.076 2.451 1.00 0.00 C ATOM 1117 CD PRO A 68 -13.461 -8.621 0.988 1.00 0.00 C ATOM 0 HA PRO A 68 -12.789 -5.807 2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.774 -8.024 4.218 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.291 -7.463 3.543 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.521 -9.715 2.615 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.270 -9.660 2.718 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.871 -9.268 0.339 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.484 -8.641 0.613 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.392 -5.866 2.968 1.00 0.00 N ATOM 1126 CA PHE A 69 -8.905 -5.857 3.159 1.00 0.00 C ATOM 1127 C PHE A 69 -8.521 -5.554 4.610 1.00 0.00 C ATOM 1128 O PHE A 69 -9.076 -4.689 5.264 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.297 -4.768 2.237 1.00 0.00 C ATOM 1130 CG PHE A 69 -7.721 -5.390 0.985 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -8.566 -5.865 -0.023 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -6.332 -5.498 0.846 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -8.019 -6.447 -1.172 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -5.785 -6.077 -0.300 1.00 0.00 C ATOM 1135 CZ PHE A 69 -6.628 -6.554 -1.312 1.00 0.00 C ATOM 0 H PHE A 69 -10.846 -4.968 3.136 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.519 -6.845 2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.064 -4.042 1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.517 -4.225 2.772 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.637 -5.783 0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.682 -5.132 1.627 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.669 -6.814 -1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.713 -6.157 -0.406 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.207 -7.004 -2.199 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.520 -6.251 5.079 1.00 0.00 N ATOM 1146 CA ILE A 70 -6.989 -6.034 6.451 1.00 0.00 C ATOM 1147 C ILE A 70 -5.481 -6.285 6.385 1.00 0.00 C ATOM 1148 O ILE A 70 -5.042 -7.329 5.944 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.646 -7.006 7.432 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -9.172 -6.838 7.355 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -7.160 -6.700 8.855 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.861 -7.691 8.427 1.00 0.00 C ATOM 0 H ILE A 70 -7.038 -6.980 4.552 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.202 -5.023 6.798 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.378 -8.031 7.176 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.436 -5.789 7.491 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.526 -7.130 6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.627 -7.392 9.556 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.077 -6.813 8.902 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.430 -5.678 9.120 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.941 -7.560 8.358 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.612 -8.741 8.272 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.520 -7.380 9.414 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.684 -5.327 6.786 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.194 -5.491 6.711 1.00 0.00 C ATOM 1166 C LEU A 71 -2.619 -5.631 8.118 1.00 0.00 C ATOM 1167 O LEU A 71 -3.106 -5.035 9.059 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.600 -4.253 6.032 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.362 -3.968 4.729 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -2.775 -2.731 4.048 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.250 -5.170 3.784 1.00 0.00 C ATOM 0 H LEU A 71 -4.999 -4.434 7.164 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.947 -6.385 6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.664 -3.393 6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.543 -4.413 5.820 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.412 -3.791 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.318 -2.532 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.864 -1.872 4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.723 -2.906 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.793 -4.960 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.201 -5.355 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.677 -6.051 4.264 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.583 -6.428 8.268 1.00 0.00 N ATOM 1184 CA TYR A 72 -0.959 -6.629 9.615 1.00 0.00 C ATOM 1185 C TYR A 72 0.544 -6.399 9.553 1.00 0.00 C ATOM 1186 O TYR A 72 1.208 -6.736 8.589 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.225 -8.050 10.109 1.00 0.00 C ATOM 1188 CG TYR A 72 -2.693 -8.218 10.420 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -3.184 -7.838 11.675 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.561 -8.760 9.464 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -4.541 -7.999 11.975 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -4.920 -8.923 9.766 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.409 -8.542 11.022 1.00 0.00 C ATOM 1194 OH TYR A 72 -6.745 -8.706 11.324 1.00 0.00 O ATOM 0 H TYR A 72 -1.143 -6.949 7.510 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.402 -5.909 10.303 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.920 -8.771 9.351 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.630 -8.252 10.999 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.514 -7.420 12.412 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.184 -9.052 8.495 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.919 -7.704 12.943 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.590 -9.342 9.030 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.157 -7.829 11.471 1.00 0.00 H new ATOM 1204 N TYR A 73 1.078 -5.830 10.599 1.00 0.00 N ATOM 1205 CA TYR A 73 2.539 -5.572 10.651 1.00 0.00 C ATOM 1206 C TYR A 73 2.936 -5.284 12.098 1.00 0.00 C ATOM 1207 O TYR A 73 2.923 -4.153 12.542 1.00 0.00 O ATOM 1208 CB TYR A 73 2.884 -4.370 9.772 1.00 0.00 C ATOM 1209 CG TYR A 73 4.383 -4.178 9.754 1.00 0.00 C ATOM 1210 CD1 TYR A 73 5.184 -5.021 8.975 1.00 0.00 C ATOM 1211 CD2 TYR A 73 4.969 -3.161 10.516 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.573 -4.847 8.959 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.358 -2.987 10.500 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.160 -3.829 9.721 1.00 0.00 C ATOM 1215 OH TYR A 73 8.529 -3.658 9.706 1.00 0.00 O ATOM 0 H TYR A 73 0.558 -5.532 11.424 1.00 0.00 H new ATOM 0 HA TYR A 73 3.081 -6.443 10.284 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.514 -4.528 8.759 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.396 -3.474 10.154 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.731 -5.805 8.387 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.350 -2.511 11.116 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.192 -5.498 8.359 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.811 -2.203 11.089 1.00 0.00 H new ATOM 0 HH TYR A 73 8.771 -2.908 10.288 1.00 0.00 H new ATOM 1225 N GLN A 74 3.279 -6.307 12.833 1.00 0.00 N ATOM 1226 CA GLN A 74 3.678 -6.131 14.253 1.00 0.00 C ATOM 1227 C GLN A 74 2.556 -5.457 15.039 1.00 0.00 C ATOM 1228 O GLN A 74 1.732 -4.748 14.499 1.00 0.00 O ATOM 1229 CB GLN A 74 4.956 -5.287 14.347 1.00 0.00 C ATOM 1230 CG GLN A 74 6.103 -6.001 13.623 1.00 0.00 C ATOM 1231 CD GLN A 74 6.411 -7.326 14.324 1.00 0.00 C ATOM 1232 OE1 GLN A 74 5.860 -8.352 13.979 1.00 0.00 O ATOM 1233 NE2 GLN A 74 7.270 -7.346 15.305 1.00 0.00 N ATOM 0 H GLN A 74 3.299 -7.271 12.501 1.00 0.00 H new ATOM 0 HA GLN A 74 3.870 -7.115 14.681 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.788 -4.306 13.903 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.219 -5.124 15.392 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.832 -6.183 12.583 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.990 -5.368 13.615 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.733 -6.485 15.595 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.479 -8.223 15.782 1.00 0.00 H new ATOM 1242 N LYS A 75 2.534 -5.699 16.317 1.00 0.00 N ATOM 1243 CA LYS A 75 1.491 -5.109 17.209 1.00 0.00 C ATOM 1244 C LYS A 75 0.095 -5.552 16.767 1.00 0.00 C ATOM 1245 O LYS A 75 -0.447 -6.512 17.275 1.00 0.00 O ATOM 1246 CB LYS A 75 1.564 -3.579 17.177 1.00 0.00 C ATOM 1247 CG LYS A 75 2.958 -3.118 17.605 1.00 0.00 C ATOM 1248 CD LYS A 75 2.992 -1.588 17.706 1.00 0.00 C ATOM 1249 CE LYS A 75 2.834 -0.962 16.315 1.00 0.00 C ATOM 1250 NZ LYS A 75 3.303 0.451 16.350 1.00 0.00 N ATOM 0 H LYS A 75 3.210 -6.295 16.795 1.00 0.00 H new ATOM 0 HA LYS A 75 1.677 -5.460 18.224 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.343 -3.216 16.173 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.811 -3.156 17.842 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.218 -3.561 18.566 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.701 -3.461 16.885 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.193 -1.242 18.362 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.933 -1.267 18.153 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.408 -1.529 15.582 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.790 -1.002 16.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.196 0.876 15.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.737 0.988 17.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.304 0.478 16.630 1.00 0.00 H new ATOM 1264 N GLN A 76 -0.505 -4.846 15.839 1.00 0.00 N ATOM 1265 CA GLN A 76 -1.883 -5.213 15.386 1.00 0.00 C ATOM 1266 C GLN A 76 -2.035 -4.898 13.891 1.00 0.00 C ATOM 1267 O GLN A 76 -1.091 -4.988 13.117 1.00 0.00 O ATOM 1268 CB GLN A 76 -2.917 -4.388 16.174 1.00 0.00 C ATOM 1269 CG GLN A 76 -2.775 -4.634 17.679 1.00 0.00 C ATOM 1270 CD GLN A 76 -2.998 -6.117 17.986 1.00 0.00 C ATOM 1271 OE1 GLN A 76 -3.874 -6.741 17.420 1.00 0.00 O ATOM 1272 NE2 GLN A 76 -2.245 -6.708 18.872 1.00 0.00 N ATOM 0 H GLN A 76 -0.100 -4.032 15.376 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.045 -6.277 15.558 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.783 -3.328 15.960 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.924 -4.653 15.851 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.784 -4.329 18.015 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.497 -4.028 18.226 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.510 -6.184 19.347 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.391 -7.694 19.090 1.00 0.00 H new ATOM 1281 N LEU A 77 -3.225 -4.534 13.484 1.00 0.00 N ATOM 1282 CA LEU A 77 -3.475 -4.211 12.053 1.00 0.00 C ATOM 1283 C LEU A 77 -3.033 -2.781 11.752 1.00 0.00 C ATOM 1284 O LEU A 77 -2.928 -1.954 12.636 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.968 -4.373 11.739 1.00 0.00 C ATOM 1286 CG LEU A 77 -5.836 -3.537 12.723 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -6.238 -2.202 12.073 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -7.107 -4.324 13.089 1.00 0.00 C ATOM 0 H LEU A 77 -4.040 -4.447 14.091 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.900 -4.895 11.429 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.165 -4.056 10.715 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.246 -5.425 11.806 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.253 -3.338 13.623 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.845 -1.626 12.771 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.341 -1.636 11.819 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.813 -2.397 11.167 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.713 -3.736 13.778 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.681 -4.529 12.185 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.828 -5.265 13.563 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.774 -2.486 10.502 1.00 0.00 N ATOM 1301 CA ILE A 78 -2.338 -1.108 10.115 1.00 0.00 C ATOM 1302 C ILE A 78 -3.476 -0.398 9.378 1.00 0.00 C ATOM 1303 O ILE A 78 -3.545 0.816 9.355 1.00 0.00 O ATOM 1304 CB ILE A 78 -1.132 -1.216 9.183 1.00 0.00 C ATOM 1305 CG1 ILE A 78 -0.003 -2.002 9.872 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.639 0.181 8.811 1.00 0.00 C ATOM 1307 CD1 ILE A 78 0.354 -1.369 11.226 1.00 0.00 C ATOM 0 H ILE A 78 -2.846 -3.146 9.727 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.074 -0.542 11.008 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.429 -1.744 8.277 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.312 -3.037 10.019 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.878 -2.020 9.230 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.221 0.098 8.146 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.437 0.726 8.306 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.349 0.717 9.715 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.154 -1.941 11.695 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.684 -0.342 11.072 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.523 -1.374 11.873 1.00 0.00 H new ATOM 1319 N ALA A 79 -4.372 -1.137 8.775 1.00 0.00 N ATOM 1320 CA ALA A 79 -5.496 -0.480 8.048 1.00 0.00 C ATOM 1321 C ALA A 79 -6.605 -1.491 7.739 1.00 0.00 C ATOM 1322 O ALA A 79 -6.352 -2.650 7.471 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.972 0.105 6.736 1.00 0.00 C ATOM 0 H ALA A 79 -4.374 -2.157 8.755 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.906 0.310 8.677 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.790 0.587 6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.196 0.840 6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.557 -0.694 6.122 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.834 -1.040 7.752 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.994 -1.933 7.436 1.00 0.00 C ATOM 1331 C ILE A 80 -9.919 -1.213 6.455 1.00 0.00 C ATOM 1332 O ILE A 80 -9.971 0.001 6.422 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.771 -2.248 8.720 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -9.951 -0.955 9.520 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -9.018 -3.294 9.562 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -10.944 -1.191 10.659 1.00 0.00 C ATOM 0 H ILE A 80 -8.088 -0.077 7.971 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.630 -2.862 6.998 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.747 -2.660 8.462 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.992 -0.628 9.922 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.312 -0.159 8.868 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.583 -3.506 10.470 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.902 -4.211 8.984 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.035 -2.907 9.829 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.071 -0.270 11.228 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.905 -1.498 10.246 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.565 -1.974 11.316 1.00 0.00 H new ATOM 1348 N GLY A 81 -10.659 -1.940 5.665 1.00 0.00 N ATOM 1349 CA GLY A 81 -11.581 -1.268 4.709 1.00 0.00 C ATOM 1350 C GLY A 81 -12.092 -2.261 3.671 1.00 0.00 C ATOM 1351 O GLY A 81 -11.668 -3.399 3.612 1.00 0.00 O ATOM 0 H GLY A 81 -10.666 -2.960 5.640 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.422 -0.834 5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.064 -0.447 4.212 1.00 0.00 H new ATOM 1355 N PHE A 82 -13.000 -1.823 2.839 1.00 0.00 N ATOM 1356 CA PHE A 82 -13.557 -2.709 1.775 1.00 0.00 C ATOM 1357 C PHE A 82 -13.718 -1.892 0.493 1.00 0.00 C ATOM 1358 O PHE A 82 -13.967 -0.703 0.535 1.00 0.00 O ATOM 1359 CB PHE A 82 -14.920 -3.261 2.214 1.00 0.00 C ATOM 1360 CG PHE A 82 -15.914 -2.134 2.386 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -16.695 -1.714 1.300 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -16.062 -1.514 3.633 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -17.622 -0.675 1.464 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -16.990 -0.477 3.796 1.00 0.00 C ATOM 1365 CZ PHE A 82 -17.769 -0.058 2.711 1.00 0.00 C ATOM 0 H PHE A 82 -13.384 -0.878 2.852 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.881 -3.546 1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.289 -3.970 1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -14.814 -3.807 3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.583 -2.191 0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -15.460 -1.836 4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -18.223 -0.351 0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.104 -0.001 4.759 1.00 0.00 H new ATOM 0 HZ PHE A 82 -18.484 0.742 2.837 1.00 0.00 H new ATOM 1375 N ILE A 83 -13.573 -2.519 -0.646 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.710 -1.785 -1.941 1.00 0.00 C ATOM 1377 C ILE A 83 -15.080 -2.088 -2.540 1.00 0.00 C ATOM 1378 O ILE A 83 -15.444 -3.231 -2.733 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.612 -2.245 -2.903 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -11.241 -1.994 -2.265 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -12.722 -1.461 -4.212 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -10.142 -2.577 -3.157 1.00 0.00 C ATOM 0 H ILE A 83 -13.364 -3.513 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.614 -0.712 -1.773 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.727 -3.309 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -11.083 -0.924 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -11.200 -2.451 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.941 -1.787 -4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -13.698 -1.640 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.605 -0.396 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.169 -2.397 -2.700 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.296 -3.650 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -10.177 -2.100 -4.136 1.00 0.00 H new ATOM 1394 N ASP A 84 -15.847 -1.067 -2.821 1.00 0.00 N ATOM 1395 CA ASP A 84 -17.210 -1.273 -3.395 1.00 0.00 C ATOM 1396 C ASP A 84 -17.139 -1.319 -4.923 1.00 0.00 C ATOM 1397 O ASP A 84 -16.746 -0.370 -5.574 1.00 0.00 O ATOM 1398 CB ASP A 84 -18.116 -0.121 -2.962 1.00 0.00 C ATOM 1399 CG ASP A 84 -19.527 -0.344 -3.508 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -19.701 -1.265 -4.289 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -20.411 0.410 -3.134 1.00 0.00 O ATOM 0 H ASP A 84 -15.585 -0.092 -2.676 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.612 -2.219 -3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -18.142 -0.055 -1.874 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.719 0.825 -3.329 1.00 0.00 H new ATOM 1406 N GLU A 85 -17.527 -2.424 -5.491 1.00 0.00 N ATOM 1407 CA GLU A 85 -17.507 -2.575 -6.974 1.00 0.00 C ATOM 1408 C GLU A 85 -16.105 -2.246 -7.501 1.00 0.00 C ATOM 1409 O GLU A 85 -15.944 -1.533 -8.471 1.00 0.00 O ATOM 1410 CB GLU A 85 -18.539 -1.633 -7.606 1.00 0.00 C ATOM 1411 CG GLU A 85 -18.802 -2.056 -9.056 1.00 0.00 C ATOM 1412 CD GLU A 85 -19.912 -1.187 -9.650 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -20.586 -0.516 -8.887 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -20.073 -1.212 -10.860 1.00 0.00 O ATOM 0 H GLU A 85 -17.863 -3.243 -4.984 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.759 -3.602 -7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.467 -1.659 -7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -18.175 -0.606 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.891 -1.954 -9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.090 -3.107 -9.093 1.00 0.00 H new ATOM 1421 N ASN A 86 -15.092 -2.765 -6.863 1.00 0.00 N ATOM 1422 CA ASN A 86 -13.696 -2.500 -7.316 1.00 0.00 C ATOM 1423 C ASN A 86 -13.453 -0.991 -7.401 1.00 0.00 C ATOM 1424 O ASN A 86 -12.712 -0.521 -8.240 1.00 0.00 O ATOM 1425 CB ASN A 86 -13.463 -3.143 -8.689 1.00 0.00 C ATOM 1426 CG ASN A 86 -13.407 -4.664 -8.537 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -13.234 -5.172 -7.446 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -13.543 -5.417 -9.594 1.00 0.00 N ATOM 0 H ASN A 86 -15.172 -3.365 -6.042 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.001 -2.932 -6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.264 -2.865 -9.374 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.532 -2.776 -9.121 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -13.504 -6.432 -9.505 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.688 -4.990 -10.509 1.00 0.00 H new ATOM 1435 N HIS A 87 -14.067 -0.227 -6.538 1.00 0.00 N ATOM 1436 CA HIS A 87 -13.862 1.249 -6.574 1.00 0.00 C ATOM 1437 C HIS A 87 -14.235 1.857 -5.218 1.00 0.00 C ATOM 1438 O HIS A 87 -14.810 1.205 -4.370 1.00 0.00 O ATOM 1439 CB HIS A 87 -14.737 1.863 -7.667 1.00 0.00 C ATOM 1440 CG HIS A 87 -14.520 3.350 -7.704 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -15.250 4.223 -6.910 1.00 0.00 N ATOM 1442 CD2 HIS A 87 -13.660 4.135 -8.431 1.00 0.00 C ATOM 1443 CE1 HIS A 87 -14.818 5.470 -7.176 1.00 0.00 C ATOM 1444 NE2 HIS A 87 -13.850 5.473 -8.096 1.00 0.00 N ATOM 0 H HIS A 87 -14.700 -0.561 -5.811 1.00 0.00 H new ATOM 0 HA HIS A 87 -12.814 1.460 -6.788 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -14.491 1.424 -8.634 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -15.787 1.642 -7.474 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -12.945 3.770 -9.153 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -15.207 6.360 -6.703 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -13.356 6.282 -8.473 1.00 0.00 H new ATOM 1452 N ASP A 88 -13.907 3.106 -5.014 1.00 0.00 N ATOM 1453 CA ASP A 88 -14.236 3.776 -3.721 1.00 0.00 C ATOM 1454 C ASP A 88 -13.647 2.974 -2.563 1.00 0.00 C ATOM 1455 O ASP A 88 -14.189 1.969 -2.147 1.00 0.00 O ATOM 1456 CB ASP A 88 -15.754 3.872 -3.560 1.00 0.00 C ATOM 1457 CG ASP A 88 -16.082 4.707 -2.319 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -15.161 5.027 -1.585 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -17.248 5.010 -2.124 1.00 0.00 O ATOM 0 H ASP A 88 -13.422 3.694 -5.692 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.811 4.780 -3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -16.197 4.328 -4.446 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.185 2.875 -3.465 1.00 0.00 H new ATOM 1464 N MET A 89 -12.536 3.415 -2.034 1.00 0.00 N ATOM 1465 CA MET A 89 -11.903 2.683 -0.900 1.00 0.00 C ATOM 1466 C MET A 89 -12.450 3.223 0.422 1.00 0.00 C ATOM 1467 O MET A 89 -12.198 4.352 0.797 1.00 0.00 O ATOM 1468 CB MET A 89 -10.388 2.892 -0.947 1.00 0.00 C ATOM 1469 CG MET A 89 -9.815 2.210 -2.192 1.00 0.00 C ATOM 1470 SD MET A 89 -8.024 2.466 -2.255 1.00 0.00 S ATOM 1471 CE MET A 89 -7.549 1.026 -1.267 1.00 0.00 C ATOM 0 H MET A 89 -12.040 4.252 -2.340 1.00 0.00 H new ATOM 0 HA MET A 89 -12.128 1.620 -0.979 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.158 3.957 -0.965 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.926 2.481 -0.049 1.00 0.00 H new ATOM 0 HG2 MET A 89 -10.039 1.144 -2.171 1.00 0.00 H new ATOM 0 HG3 MET A 89 -10.282 2.616 -3.089 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.510 1.127 -0.952 1.00 0.00 H new ATOM 0 HE2 MET A 89 -8.190 0.960 -0.388 1.00 0.00 H new ATOM 0 HE3 MET A 89 -7.660 0.122 -1.865 1.00 0.00 H new ATOM 1481 N ASP A 90 -13.194 2.419 1.135 1.00 0.00 N ATOM 1482 CA ASP A 90 -13.764 2.866 2.444 1.00 0.00 C ATOM 1483 C ASP A 90 -12.873 2.358 3.576 1.00 0.00 C ATOM 1484 O ASP A 90 -12.778 1.171 3.815 1.00 0.00 O ATOM 1485 CB ASP A 90 -15.173 2.289 2.609 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.871 2.974 3.785 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -15.177 3.542 4.611 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -17.089 2.918 3.839 1.00 0.00 O ATOM 0 H ASP A 90 -13.434 1.465 0.866 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.812 3.955 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -15.748 2.438 1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -15.119 1.214 2.780 1.00 0.00 H new ATOM 1493 N PHE A 91 -12.214 3.249 4.275 1.00 0.00 N ATOM 1494 CA PHE A 91 -11.318 2.822 5.395 1.00 0.00 C ATOM 1495 C PHE A 91 -12.030 3.023 6.733 1.00 0.00 C ATOM 1496 O PHE A 91 -12.229 4.133 7.187 1.00 0.00 O ATOM 1497 CB PHE A 91 -10.039 3.663 5.369 1.00 0.00 C ATOM 1498 CG PHE A 91 -9.172 3.217 4.217 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -8.333 2.106 4.365 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -9.210 3.910 3.001 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.532 1.688 3.296 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -8.410 3.490 1.932 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.571 2.379 2.080 1.00 0.00 C ATOM 0 H PHE A 91 -12.258 4.256 4.118 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.068 1.768 5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.287 4.719 5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.499 3.553 6.309 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.304 1.572 5.303 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.856 4.768 2.888 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.884 0.832 3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.440 4.023 0.993 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.954 2.055 1.255 1.00 0.00 H new ATOM 1513 N LEU A 92 -12.400 1.947 7.371 1.00 0.00 N ATOM 1514 CA LEU A 92 -13.083 2.050 8.689 1.00 0.00 C ATOM 1515 C LEU A 92 -12.126 2.672 9.705 1.00 0.00 C ATOM 1516 O LEU A 92 -12.500 3.516 10.495 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.488 0.639 9.146 1.00 0.00 C ATOM 1518 CG LEU A 92 -14.873 0.278 8.586 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -15.964 1.136 9.268 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -14.887 0.510 7.066 1.00 0.00 C ATOM 0 H LEU A 92 -12.257 0.995 7.033 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.971 2.677 8.606 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -12.750 -0.087 8.806 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.504 0.592 10.235 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.081 -0.772 8.790 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.941 0.871 8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.954 0.951 10.342 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -15.767 2.191 9.080 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -15.869 0.254 6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -14.672 1.558 6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.130 -0.117 6.595 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.893 2.260 9.682 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.898 2.820 10.636 1.00 0.00 C ATOM 1534 C TYR A 93 -8.518 2.747 9.991 1.00 0.00 C ATOM 1535 O TYR A 93 -8.055 1.687 9.609 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.913 2.000 11.933 1.00 0.00 C ATOM 1537 CG TYR A 93 -9.240 2.776 13.039 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -9.972 3.711 13.780 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -7.888 2.558 13.328 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -9.353 4.428 14.810 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -7.268 3.276 14.358 1.00 0.00 C ATOM 1542 CZ TYR A 93 -8.001 4.212 15.099 1.00 0.00 C ATOM 1543 OH TYR A 93 -7.390 4.919 16.114 1.00 0.00 O ATOM 0 H TYR A 93 -10.528 1.556 9.041 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.143 3.856 10.872 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.940 1.766 12.214 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.400 1.050 11.779 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.015 3.879 13.557 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.323 1.836 12.757 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.919 5.148 15.382 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.225 3.108 14.581 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.451 4.647 16.183 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.866 3.873 9.858 1.00 0.00 N ATOM 1554 CA LEU A 94 -6.509 3.907 9.234 1.00 0.00 C ATOM 1555 C LEU A 94 -5.487 4.334 10.281 1.00 0.00 C ATOM 1556 O LEU A 94 -5.577 5.407 10.848 1.00 0.00 O ATOM 1557 CB LEU A 94 -6.518 4.916 8.081 1.00 0.00 C ATOM 1558 CG LEU A 94 -5.156 4.940 7.370 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -4.819 3.552 6.795 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -5.210 5.970 6.237 1.00 0.00 C ATOM 0 H LEU A 94 -8.220 4.781 10.159 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.246 2.920 8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.301 4.655 7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.752 5.910 8.463 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.381 5.210 8.087 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.851 3.590 6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.781 2.822 7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.586 3.259 6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.249 5.997 5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.991 5.692 5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.428 6.955 6.650 1.00 0.00 H new ATOM 1572 N HIS A 95 -4.513 3.499 10.540 1.00 0.00 N ATOM 1573 CA HIS A 95 -3.463 3.834 11.552 1.00 0.00 C ATOM 1574 C HIS A 95 -2.091 3.784 10.885 1.00 0.00 C ATOM 1575 O HIS A 95 -1.634 2.742 10.458 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.509 2.814 12.690 1.00 0.00 C ATOM 1577 CG HIS A 95 -2.679 3.312 13.841 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -1.298 3.199 13.859 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -3.020 3.940 15.014 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -0.861 3.745 15.008 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -1.870 4.212 15.750 1.00 0.00 N ATOM 0 H HIS A 95 -4.399 2.591 10.090 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.644 4.832 11.951 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.539 2.657 13.011 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.132 1.851 12.345 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.027 4.185 15.319 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.178 3.799 15.296 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -1.810 4.669 16.660 1.00 0.00 H new ATOM 1589 N ASN A 96 -1.429 4.906 10.792 1.00 0.00 N ATOM 1590 CA ASN A 96 -0.081 4.938 10.154 1.00 0.00 C ATOM 1591 C ASN A 96 0.994 4.848 11.238 1.00 0.00 C ATOM 1592 O ASN A 96 0.801 5.284 12.357 1.00 0.00 O ATOM 1593 CB ASN A 96 0.076 6.236 9.360 1.00 0.00 C ATOM 1594 CG ASN A 96 -0.798 6.165 8.107 1.00 0.00 C ATOM 1595 OD1 ASN A 96 -1.233 5.100 7.716 1.00 0.00 O ATOM 1596 ND2 ASN A 96 -1.072 7.261 7.453 1.00 0.00 N ATOM 0 H ASN A 96 -1.766 5.807 11.132 1.00 0.00 H new ATOM 0 HA ASN A 96 0.027 4.093 9.475 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.214 7.089 9.973 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.120 6.383 9.083 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.651 7.223 6.614 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.707 8.155 7.781 1.00 0.00 H new ATOM 1603 N THR A 97 2.113 4.260 10.905 1.00 0.00 N ATOM 1604 CA THR A 97 3.231 4.087 11.884 1.00 0.00 C ATOM 1605 C THR A 97 3.334 5.285 12.835 1.00 0.00 C ATOM 1606 O THR A 97 3.310 5.128 14.039 1.00 0.00 O ATOM 1607 CB THR A 97 4.543 3.951 11.109 1.00 0.00 C ATOM 1608 OG1 THR A 97 4.788 5.150 10.386 1.00 0.00 O ATOM 1609 CG2 THR A 97 4.447 2.776 10.134 1.00 0.00 C ATOM 0 H THR A 97 2.304 3.884 9.976 1.00 0.00 H new ATOM 0 HA THR A 97 3.035 3.196 12.480 1.00 0.00 H new ATOM 0 HB THR A 97 5.360 3.771 11.808 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.739 5.205 10.157 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.383 2.682 9.584 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.259 1.857 10.689 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.630 2.950 9.433 1.00 0.00 H new ATOM 1617 N VAL A 98 3.463 6.479 12.312 1.00 0.00 N ATOM 1618 CA VAL A 98 3.581 7.677 13.204 1.00 0.00 C ATOM 1619 C VAL A 98 2.873 8.871 12.565 1.00 0.00 C ATOM 1620 O VAL A 98 3.412 9.957 12.488 1.00 0.00 O ATOM 1621 CB VAL A 98 5.062 8.008 13.406 1.00 0.00 C ATOM 1622 CG1 VAL A 98 5.228 8.934 14.616 1.00 0.00 C ATOM 1623 CG2 VAL A 98 5.834 6.709 13.646 1.00 0.00 C ATOM 0 H VAL A 98 3.492 6.677 11.312 1.00 0.00 H new ATOM 0 HA VAL A 98 3.117 7.461 14.166 1.00 0.00 H new ATOM 0 HB VAL A 98 5.448 8.510 12.519 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.284 9.166 14.755 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.673 9.857 14.447 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.845 8.439 15.508 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.890 6.935 13.791 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.444 6.213 14.535 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.719 6.052 12.784 1.00 0.00 H new ATOM 1633 N MET A 99 1.667 8.677 12.119 1.00 0.00 N ATOM 1634 CA MET A 99 0.910 9.799 11.492 1.00 0.00 C ATOM 1635 C MET A 99 -0.529 9.350 11.218 1.00 0.00 C ATOM 1636 O MET A 99 -0.958 9.310 10.084 1.00 0.00 O ATOM 1637 CB MET A 99 1.574 10.195 10.166 1.00 0.00 C ATOM 1638 CG MET A 99 0.819 11.380 9.526 1.00 0.00 C ATOM 1639 SD MET A 99 2.000 12.483 8.707 1.00 0.00 S ATOM 1640 CE MET A 99 2.477 13.417 10.183 1.00 0.00 C ATOM 0 H MET A 99 1.168 7.788 12.160 1.00 0.00 H new ATOM 0 HA MET A 99 0.909 10.654 12.168 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.615 10.468 10.339 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.577 9.345 9.484 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.089 11.012 8.805 1.00 0.00 H new ATOM 0 HG3 MET A 99 0.265 11.926 10.290 1.00 0.00 H new ATOM 0 HE1 MET A 99 3.215 14.172 9.913 1.00 0.00 H new ATOM 0 HE2 MET A 99 1.598 13.904 10.605 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.905 12.738 10.920 1.00 0.00 H new ATOM 1650 N PRO A 100 -1.272 9.011 12.245 1.00 0.00 N ATOM 1651 CA PRO A 100 -2.685 8.553 12.085 1.00 0.00 C ATOM 1652 C PRO A 100 -3.549 9.610 11.386 1.00 0.00 C ATOM 1653 O PRO A 100 -3.731 10.707 11.879 1.00 0.00 O ATOM 1654 CB PRO A 100 -3.166 8.289 13.530 1.00 0.00 C ATOM 1655 CG PRO A 100 -2.192 9.009 14.412 1.00 0.00 C ATOM 1656 CD PRO A 100 -0.863 9.025 13.659 1.00 0.00 C ATOM 0 HA PRO A 100 -2.762 7.667 11.455 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.180 8.659 13.680 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.181 7.222 13.750 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.533 10.023 14.621 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.089 8.503 15.372 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.276 9.912 13.899 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.249 8.159 13.908 1.00 0.00 H new ATOM 1664 N LEU A 101 -4.072 9.283 10.235 1.00 0.00 N ATOM 1665 CA LEU A 101 -4.915 10.256 9.483 1.00 0.00 C ATOM 1666 C LEU A 101 -6.375 10.096 9.909 1.00 0.00 C ATOM 1667 O LEU A 101 -6.940 10.948 10.566 1.00 0.00 O ATOM 1668 CB LEU A 101 -4.808 9.963 7.984 1.00 0.00 C ATOM 1669 CG LEU A 101 -3.335 9.860 7.569 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -3.251 9.543 6.072 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -2.617 11.185 7.857 1.00 0.00 C ATOM 0 H LEU A 101 -3.950 8.378 9.781 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.574 11.270 9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.325 9.033 7.750 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.299 10.753 7.416 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.854 9.065 8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.205 9.469 5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.753 8.596 5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.735 10.338 5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.571 11.104 7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.094 11.987 7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.675 11.406 8.923 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.995 9.011 9.518 1.00 0.00 N ATOM 1684 CA LEU A 102 -8.429 8.777 9.870 1.00 0.00 C ATOM 1685 C LEU A 102 -8.528 7.794 11.034 1.00 0.00 C ATOM 1686 O LEU A 102 -7.984 6.709 10.995 1.00 0.00 O ATOM 1687 CB LEU A 102 -9.151 8.198 8.643 1.00 0.00 C ATOM 1688 CG LEU A 102 -10.675 8.057 8.919 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -11.474 8.429 7.664 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -11.014 6.606 9.300 1.00 0.00 C ATOM 0 H LEU A 102 -6.565 8.270 8.965 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.892 9.719 10.166 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.991 8.846 7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.730 7.224 8.393 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.936 8.726 9.739 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.540 8.327 7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.255 9.460 7.385 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.196 7.765 6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.084 6.520 9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.737 5.941 8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.462 6.327 10.198 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.230 8.169 12.068 1.00 0.00 N ATOM 1703 CA ASP A 103 -9.384 7.264 13.244 1.00 0.00 C ATOM 1704 C ASP A 103 -10.699 7.584 13.960 1.00 0.00 C ATOM 1705 O ASP A 103 -10.736 8.365 14.889 1.00 0.00 O ATOM 1706 CB ASP A 103 -8.204 7.467 14.201 1.00 0.00 C ATOM 1707 CG ASP A 103 -8.159 8.922 14.673 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -8.937 9.715 14.167 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -7.340 9.223 15.526 1.00 0.00 O ATOM 0 H ASP A 103 -9.706 9.067 12.150 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.400 6.226 12.911 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.301 6.801 15.058 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.271 7.209 13.701 1.00 0.00 H new ATOM 1714 N GLN A 104 -11.786 6.983 13.532 1.00 0.00 N ATOM 1715 CA GLN A 104 -13.107 7.246 14.184 1.00 0.00 C ATOM 1716 C GLN A 104 -13.473 6.063 15.085 1.00 0.00 C ATOM 1717 O GLN A 104 -13.717 4.962 14.623 1.00 0.00 O ATOM 1718 CB GLN A 104 -14.169 7.405 13.095 1.00 0.00 C ATOM 1719 CG GLN A 104 -13.896 8.684 12.299 1.00 0.00 C ATOM 1720 CD GLN A 104 -14.826 8.741 11.084 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -15.951 9.187 11.184 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -14.397 8.308 9.930 1.00 0.00 N ATOM 0 H GLN A 104 -11.813 6.320 12.757 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.053 8.154 14.785 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -14.156 6.541 12.431 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -15.162 7.448 13.543 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -14.053 9.558 12.931 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -12.856 8.708 11.975 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -13.452 7.933 9.845 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -15.007 8.344 9.113 1.00 0.00 H new ATOM 1731 N ARG A 105 -13.519 6.286 16.371 1.00 0.00 N ATOM 1732 CA ARG A 105 -13.865 5.186 17.317 1.00 0.00 C ATOM 1733 C ARG A 105 -15.384 5.041 17.411 1.00 0.00 C ATOM 1734 O ARG A 105 -15.914 3.948 17.424 1.00 0.00 O ATOM 1735 CB ARG A 105 -13.303 5.525 18.696 1.00 0.00 C ATOM 1736 CG ARG A 105 -11.775 5.559 18.626 1.00 0.00 C ATOM 1737 CD ARG A 105 -11.214 6.028 19.968 1.00 0.00 C ATOM 1738 NE ARG A 105 -11.567 5.037 21.024 1.00 0.00 N ATOM 1739 CZ ARG A 105 -10.805 3.996 21.236 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -9.732 3.808 20.516 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -11.124 3.139 22.165 1.00 0.00 N ATOM 0 H ARG A 105 -13.331 7.188 16.809 1.00 0.00 H new ATOM 0 HA ARG A 105 -13.438 4.249 16.959 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.685 6.490 19.029 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -13.628 4.784 19.426 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.389 4.569 18.385 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.452 6.230 17.830 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.131 6.138 19.904 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.619 7.007 20.222 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.408 5.172 21.585 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -9.485 4.475 19.785 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -9.141 2.994 20.685 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -11.966 3.282 22.723 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.532 2.326 22.333 1.00 0.00 H new ATOM 1755 N TYR A 106 -16.089 6.138 17.481 1.00 0.00 N ATOM 1756 CA TYR A 106 -17.572 6.059 17.580 1.00 0.00 C ATOM 1757 C TYR A 106 -18.120 5.364 16.335 1.00 0.00 C ATOM 1758 O TYR A 106 -18.968 4.498 16.415 1.00 0.00 O ATOM 1759 CB TYR A 106 -18.153 7.472 17.680 1.00 0.00 C ATOM 1760 CG TYR A 106 -17.881 8.227 16.402 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -16.684 8.938 16.249 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -18.827 8.218 15.369 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -16.435 9.642 15.063 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -18.576 8.921 14.184 1.00 0.00 C ATOM 1765 CZ TYR A 106 -17.381 9.632 14.033 1.00 0.00 C ATOM 1766 OH TYR A 106 -17.137 10.327 12.866 1.00 0.00 O ATOM 0 H TYR A 106 -15.702 7.082 17.474 1.00 0.00 H new ATOM 0 HA TYR A 106 -17.853 5.492 18.468 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.226 7.422 17.862 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -17.710 7.998 18.526 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -15.953 8.944 17.044 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -19.750 7.669 15.486 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -15.513 10.192 14.945 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -19.305 8.914 13.387 1.00 0.00 H new ATOM 0 HH TYR A 106 -16.495 9.830 12.317 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.637 5.736 15.182 1.00 0.00 N ATOM 1777 CA LEU A 107 -18.123 5.096 13.933 1.00 0.00 C ATOM 1778 C LEU A 107 -17.781 3.607 13.971 1.00 0.00 C ATOM 1779 O LEU A 107 -18.586 2.765 13.629 1.00 0.00 O ATOM 1780 CB LEU A 107 -17.423 5.748 12.733 1.00 0.00 C ATOM 1781 CG LEU A 107 -17.887 5.103 11.418 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -19.411 5.243 11.265 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -17.184 5.801 10.247 1.00 0.00 C ATOM 0 H LEU A 107 -16.926 6.456 15.053 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.202 5.223 13.843 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.639 6.816 12.716 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -16.343 5.643 12.834 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.634 4.043 11.426 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -19.727 4.782 10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.907 4.747 12.099 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -19.680 6.299 11.258 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.506 5.351 9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -17.440 6.860 10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -16.105 5.689 10.351 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.584 3.279 14.377 1.00 0.00 N ATOM 1796 CA LEU A 108 -16.183 1.845 14.427 1.00 0.00 C ATOM 1797 C LEU A 108 -17.067 1.105 15.442 1.00 0.00 C ATOM 1798 O LEU A 108 -17.561 0.026 15.184 1.00 0.00 O ATOM 1799 CB LEU A 108 -14.706 1.764 14.852 1.00 0.00 C ATOM 1800 CG LEU A 108 -14.049 0.488 14.298 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -14.859 -0.744 14.712 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -13.952 0.559 12.759 1.00 0.00 C ATOM 0 H LEU A 108 -15.868 3.941 14.676 1.00 0.00 H new ATOM 0 HA LEU A 108 -16.308 1.381 13.448 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.170 2.641 14.490 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.635 1.773 15.940 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.043 0.408 14.711 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -14.385 -1.641 14.315 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.898 -0.805 15.800 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -15.872 -0.663 14.317 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.485 -0.351 12.382 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.952 0.656 12.336 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -13.351 1.422 12.472 1.00 0.00 H new