USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 MET CE :methyl 167:sc= -0.0115 (180deg=-0.239) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 59 ASN : amide:sc= 0.499 K(o=1.7,f=-5!) USER MOD Set 2.2: A 61 SER OG : rot -89:sc= 1.19 USER MOD Set 3.1: A 41 THR OG1 : rot 126:sc= 0.684 USER MOD Set 3.2: A 43 SER OG : rot 180:sc= 0.391 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0319 (180deg=-0.348) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.612 (180deg=0.452) USER MOD Single : A 4 TYR OH : rot 165:sc= 0 USER MOD Single : A 6 THR OG1 : rot 82:sc= 0.873 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 12 THR OG1 : rot 86:sc= 1.57 USER MOD Single : A 13 ASN : amide:sc=-0.00231 K(o=-0.0023,f=-0.68) USER MOD Single : A 14 ASN : amide:sc= 1.13 K(o=1.1,f=-5.1!) USER MOD Single : A 16 THR OG1 : rot -77:sc= 0.999 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 2.26 (180deg=2.18) USER MOD Single : A 25 SER OG : rot 79:sc= 0.97 USER MOD Single : A 27 CYS SG : rot -73:sc= 0.144 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -44:sc= 0.704 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -49:sc= 1.24 USER MOD Single : A 52 HIS : no HD1:sc= -0.089 X(o=-0.089,f=0.015) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 154:sc= 1.23 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 70 SER OG : rot 100:sc= -0.355 USER MOD Single : A 77 THR OG1 : rot 90:sc= 1.31 USER MOD Single : A 84 THR OG1 : rot 73:sc= 0.0374 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.156 -1.780 -1.540 1.00 0.00 N0 ATOM 2 CA MET A 1 3.918 -1.000 -2.749 1.00 0.00 C0 ATOM 3 C MET A 1 4.470 0.414 -2.610 1.00 0.00 C0 ATOM 4 O MET A 1 4.595 1.141 -3.596 1.00 0.00 O0 ATOM 5 CB MET A 1 2.425 -0.961 -3.066 1.00 0.00 C0 ATOM 6 CG MET A 1 1.836 -2.299 -3.492 1.00 0.00 C0 ATOM 7 SD MET A 1 2.615 -2.960 -4.978 1.00 0.00 S0 ATOM 8 CE MET A 1 2.085 -1.761 -6.199 1.00 0.00 C0 ATOM 0 H1 MET A 1 3.862 -2.765 -1.699 1.00 0.00 H new ATOM 0 H2 MET A 1 5.169 -1.754 -1.304 1.00 0.00 H new ATOM 0 H3 MET A 1 3.607 -1.378 -0.754 1.00 0.00 H new ATOM 0 HA MET A 1 4.442 -1.484 -3.573 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.889 -0.606 -2.186 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.254 -0.233 -3.859 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.947 -3.016 -2.679 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.767 -2.181 -3.669 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.253 -2.161 -7.199 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.024 -1.551 -6.066 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.655 -0.840 -6.076 1.00 0.00 H new ATOM 20 N ALA A 2 4.798 0.797 -1.381 1.00 0.00 N0 ATOM 21 CA ALA A 2 5.367 2.113 -1.115 1.00 0.00 C0 ATOM 22 C ALA A 2 6.733 2.266 -1.772 1.00 0.00 C0 ATOM 23 O ALA A 2 7.181 3.380 -2.043 1.00 0.00 O0 ATOM 24 CB ALA A 2 5.472 2.352 0.384 1.00 0.00 C0 ATOM 0 H ALA A 2 4.679 0.214 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 2 4.700 2.860 -1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.899 3.338 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.480 2.297 0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.113 1.592 0.830 1.00 0.00 H new ATOM 30 N GLU A 3 7.391 1.140 -2.026 1.00 0.00 N0 ATOM 31 CA GLU A 3 8.682 1.143 -2.704 1.00 0.00 C0 ATOM 32 C GLU A 3 8.538 1.560 -4.162 1.00 0.00 C0 ATOM 33 O GLU A 3 9.524 1.867 -4.830 1.00 0.00 O0 ATOM 34 CB GLU A 3 9.331 -0.240 -2.621 1.00 0.00 C0 ATOM 35 CG GLU A 3 8.605 -1.324 -3.404 1.00 0.00 C0 ATOM 36 CD GLU A 3 7.493 -1.966 -2.622 1.00 0.00 C0 ATOM 37 OE1 GLU A 3 7.004 -1.349 -1.706 1.00 0.00 O0 ATOM 38 OE2 GLU A 3 7.131 -3.074 -2.941 1.00 0.00 O1- ATOM 0 H GLU A 3 7.051 0.212 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 3 9.320 1.869 -2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.356 -0.169 -2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.386 -0.540 -1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.197 -0.893 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.321 -2.090 -3.704 1.00 0.00 H new ATOM 45 N TYR A 4 7.302 1.569 -4.650 1.00 0.00 N0 ATOM 46 CA TYR A 4 7.011 2.061 -5.991 1.00 0.00 C0 ATOM 47 C TYR A 4 6.420 3.464 -5.948 1.00 0.00 C0 ATOM 48 O TYR A 4 6.769 4.321 -6.761 1.00 0.00 O0 ATOM 49 CB TYR A 4 6.060 1.107 -6.717 1.00 0.00 C0 ATOM 50 CG TYR A 4 6.573 -0.313 -6.810 1.00 0.00 C0 ATOM 51 CD1 TYR A 4 5.901 -1.337 -6.158 1.00 0.00 C0 ATOM 52 CD2 TYR A 4 7.713 -0.590 -7.547 1.00 0.00 C0 ATOM 53 CE1 TYR A 4 6.370 -2.635 -6.243 1.00 0.00 C0 ATOM 54 CE2 TYR A 4 8.182 -1.888 -7.633 1.00 0.00 C0 ATOM 55 CZ TYR A 4 7.515 -2.907 -6.984 1.00 0.00 C0 ATOM 56 OH TYR A 4 7.982 -4.198 -7.069 1.00 0.00 O0 ATOM 0 H TYR A 4 6.485 1.241 -4.136 1.00 0.00 H new ATOM 0 HA TYR A 4 7.951 2.107 -6.541 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.100 1.103 -6.201 1.00 0.00 H new ATOM 0 HB3 TYR A 4 5.880 1.485 -7.723 1.00 0.00 H new ATOM 0 HD1 TYR A 4 5.012 -1.120 -5.584 1.00 0.00 H new ATOM 0 HD2 TYR A 4 8.235 0.208 -8.054 1.00 0.00 H new ATOM 0 HE1 TYR A 4 5.849 -3.434 -5.736 1.00 0.00 H new ATOM 0 HE2 TYR A 4 9.070 -2.104 -8.208 1.00 0.00 H new ATOM 0 HH TYR A 4 8.631 -4.264 -7.800 1.00 0.00 H new ATOM 66 N GLY A 5 5.524 3.694 -4.995 1.00 0.00 N0 ATOM 67 CA GLY A 5 4.841 4.977 -4.877 1.00 0.00 C0 ATOM 68 C GLY A 5 5.828 6.102 -4.590 1.00 0.00 C0 ATOM 69 O GLY A 5 5.705 7.201 -5.130 1.00 0.00 O0 ATOM 0 H GLY A 5 5.253 3.007 -4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.300 5.190 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.101 4.926 -4.078 1.00 0.00 H new ATOM 73 N THR A 6 6.806 5.820 -3.737 1.00 0.00 N0 ATOM 74 CA THR A 6 7.836 6.796 -3.403 1.00 0.00 C0 ATOM 75 C THR A 6 8.589 7.250 -4.646 1.00 0.00 C0 ATOM 76 O THR A 6 8.816 8.444 -4.846 1.00 0.00 O0 ATOM 77 CB THR A 6 8.830 6.225 -2.375 1.00 0.00 C0 ATOM 78 OG1 THR A 6 8.134 5.893 -1.166 1.00 0.00 O0 ATOM 79 CG2 THR A 6 9.920 7.239 -2.067 1.00 0.00 C0 ATOM 0 H THR A 6 6.907 4.922 -3.264 1.00 0.00 H new ATOM 0 HA THR A 6 7.333 7.658 -2.964 1.00 0.00 H new ATOM 0 HB THR A 6 9.289 5.330 -2.795 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.709 5.015 -1.264 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.613 6.818 -1.339 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.459 7.483 -2.982 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.470 8.144 -1.659 1.00 0.00 H new ATOM 87 N LEU A 7 8.974 6.291 -5.481 1.00 0.00 N0 ATOM 88 CA LEU A 7 9.733 6.587 -6.691 1.00 0.00 C0 ATOM 89 C LEU A 7 8.885 7.357 -7.696 1.00 0.00 C0 ATOM 90 O LEU A 7 9.388 8.226 -8.410 1.00 0.00 O0 ATOM 91 CB LEU A 7 10.240 5.289 -7.329 1.00 0.00 C0 ATOM 92 CG LEU A 7 11.291 4.517 -6.521 1.00 0.00 C0 ATOM 93 CD1 LEU A 7 11.566 3.177 -7.192 1.00 0.00 C0 ATOM 94 CD2 LEU A 7 12.561 5.347 -6.416 1.00 0.00 C0 ATOM 0 H LEU A 7 8.773 5.301 -5.342 1.00 0.00 H new ATOM 0 HA LEU A 7 10.584 7.208 -6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 7 9.387 4.633 -7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.662 5.526 -8.306 1.00 0.00 H new ATOM 0 HG LEU A 7 10.920 4.327 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 7 12.313 2.629 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.645 2.596 -7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.938 3.346 -8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.308 4.798 -5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.948 5.549 -7.415 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.339 6.290 -5.916 1.00 0.00 H new ATOM 106 N LEU A 8 7.597 7.035 -7.748 1.00 0.00 N0 ATOM 107 CA LEU A 8 6.661 7.751 -8.606 1.00 0.00 C0 ATOM 108 C LEU A 8 6.432 9.172 -8.104 1.00 0.00 C0 ATOM 109 O LEU A 8 6.315 10.108 -8.895 1.00 0.00 O0 ATOM 110 CB LEU A 8 5.324 7.003 -8.673 1.00 0.00 C0 ATOM 111 CG LEU A 8 5.341 5.678 -9.445 1.00 0.00 C0 ATOM 112 CD1 LEU A 8 4.002 4.973 -9.275 1.00 0.00 C0 ATOM 113 CD2 LEU A 8 5.633 5.950 -10.913 1.00 0.00 C0 ATOM 0 H LEU A 8 7.177 6.281 -7.205 1.00 0.00 H new ATOM 0 HA LEU A 8 7.095 7.804 -9.604 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.988 6.805 -7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.584 7.659 -9.131 1.00 0.00 H new ATOM 0 HG LEU A 8 6.124 5.028 -9.053 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.014 4.031 -9.824 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.827 4.775 -8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.205 5.608 -9.662 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.645 5.008 -11.462 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.860 6.599 -11.323 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.604 6.437 -11.007 1.00 0.00 H new ATOM 125 N GLN A 9 6.368 9.325 -6.786 1.00 0.00 N0 ATOM 126 CA GLN A 9 6.155 10.632 -6.176 1.00 0.00 C0 ATOM 127 C GLN A 9 7.243 11.616 -6.587 1.00 0.00 C0 ATOM 128 O GLN A 9 6.984 12.805 -6.764 1.00 0.00 O0 ATOM 129 CB GLN A 9 6.107 10.511 -4.651 1.00 0.00 C0 ATOM 130 CG GLN A 9 5.824 11.818 -3.931 1.00 0.00 C0 ATOM 131 CD GLN A 9 5.677 11.633 -2.432 1.00 0.00 C0 ATOM 132 OE1 GLN A 9 5.411 10.528 -1.953 1.00 0.00 O0 ATOM 133 NE2 GLN A 9 5.850 12.717 -1.685 1.00 0.00 N0 ATOM 0 H GLN A 9 6.461 8.559 -6.119 1.00 0.00 H new ATOM 0 HA GLN A 9 5.198 11.013 -6.532 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.340 9.786 -4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.059 10.114 -4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.632 12.522 -4.130 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.911 12.260 -4.331 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.069 13.610 -2.126 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.764 12.656 -0.670 1.00 0.00 H new ATOM 142 N ASP A 10 8.464 11.111 -6.736 1.00 0.00 N0 ATOM 143 CA ASP A 10 9.604 11.954 -7.078 1.00 0.00 C0 ATOM 144 C ASP A 10 9.506 12.458 -8.511 1.00 0.00 C0 ATOM 145 O ASP A 10 10.263 13.338 -8.922 1.00 0.00 O0 ATOM 146 CB ASP A 10 10.914 11.185 -6.888 1.00 0.00 C0 ATOM 147 CG ASP A 10 11.264 10.963 -5.423 1.00 0.00 C0 ATOM 148 OD1 ASP A 10 10.712 11.642 -4.591 1.00 0.00 O0 ATOM 149 OD2 ASP A 10 12.081 10.115 -5.150 1.00 0.00 O1- ATOM 0 H ASP A 10 8.689 10.122 -6.625 1.00 0.00 H new ATOM 0 HA ASP A 10 9.593 12.814 -6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.839 10.220 -7.389 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.724 11.732 -7.371 1.00 0.00 H new ATOM 154 N LEU A 11 8.571 11.896 -9.269 1.00 0.00 N0 ATOM 155 CA LEU A 11 8.394 12.266 -10.667 1.00 0.00 C0 ATOM 156 C LEU A 11 7.508 13.497 -10.804 1.00 0.00 C0 ATOM 157 O LEU A 11 7.337 14.033 -11.899 1.00 0.00 O0 ATOM 158 CB LEU A 11 7.781 11.098 -11.451 1.00 0.00 C0 ATOM 159 CG LEU A 11 8.618 9.813 -11.493 1.00 0.00 C0 ATOM 160 CD1 LEU A 11 7.849 8.730 -12.237 1.00 0.00 C0 ATOM 161 CD2 LEU A 11 9.953 10.098 -12.165 1.00 0.00 C0 ATOM 0 H LEU A 11 7.923 11.181 -8.937 1.00 0.00 H new ATOM 0 HA LEU A 11 9.376 12.502 -11.077 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.809 10.863 -11.016 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.601 11.426 -12.475 1.00 0.00 H new ATOM 0 HG LEU A 11 8.812 9.461 -10.480 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.444 7.817 -12.267 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.908 8.534 -11.723 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.644 9.063 -13.254 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.548 9.185 -12.195 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.780 10.452 -13.181 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.489 10.862 -11.601 1.00 0.00 H new ATOM 173 N THR A 12 6.945 13.941 -9.686 1.00 0.00 N0 ATOM 174 CA THR A 12 6.034 15.081 -9.686 1.00 0.00 C0 ATOM 175 C THR A 12 6.650 16.278 -10.398 1.00 0.00 C0 ATOM 176 O THR A 12 5.981 16.964 -11.170 1.00 0.00 O0 ATOM 177 CB THR A 12 5.642 15.478 -8.250 1.00 0.00 C0 ATOM 178 OG1 THR A 12 4.961 14.386 -7.619 1.00 0.00 O0 ATOM 179 CG2 THR A 12 4.734 16.697 -8.264 1.00 0.00 C0 ATOM 0 H THR A 12 7.103 13.529 -8.767 1.00 0.00 H new ATOM 0 HA THR A 12 5.136 14.777 -10.225 1.00 0.00 H new ATOM 0 HB THR A 12 6.548 15.719 -7.695 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.617 13.780 -7.217 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.467 16.963 -7.241 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.254 17.533 -8.733 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.829 16.470 -8.828 1.00 0.00 H new ATOM 187 N ASN A 13 7.929 16.524 -10.133 1.00 0.00 N0 ATOM 188 CA ASN A 13 8.627 17.662 -10.720 1.00 0.00 C0 ATOM 189 C ASN A 13 9.435 17.242 -11.941 1.00 0.00 C0 ATOM 190 O ASN A 13 10.275 17.997 -12.431 1.00 0.00 O0 ATOM 191 CB ASN A 13 9.522 18.327 -9.690 1.00 0.00 C0 ATOM 192 CG ASN A 13 8.742 19.001 -8.596 1.00 0.00 C0 ATOM 193 OD1 ASN A 13 7.692 19.603 -8.845 1.00 0.00 O0 ATOM 194 ND2 ASN A 13 9.235 18.911 -7.387 1.00 0.00 N0 ATOM 0 H ASN A 13 8.503 15.950 -9.515 1.00 0.00 H new ATOM 0 HA ASN A 13 7.878 18.384 -11.046 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.183 17.579 -9.252 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.156 19.062 -10.185 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.749 19.348 -6.604 1.00 0.00 H new ATOM 0 HD22 ASN A 13 10.105 18.404 -7.228 1.00 0.00 H new ATOM 201 N ASN A 14 9.176 16.034 -12.428 1.00 0.00 N0 ATOM 202 CA ASN A 14 9.887 15.506 -13.587 1.00 0.00 C0 ATOM 203 C ASN A 14 8.920 15.129 -14.702 1.00 0.00 C0 ATOM 204 O ASN A 14 9.320 14.559 -15.717 1.00 0.00 O0 ATOM 205 CB ASN A 14 10.739 14.313 -13.194 1.00 0.00 C0 ATOM 206 CG ASN A 14 11.911 14.699 -12.334 1.00 0.00 C0 ATOM 207 OD1 ASN A 14 12.907 15.241 -12.828 1.00 0.00 O0 ATOM 208 ND2 ASN A 14 11.812 14.431 -11.057 1.00 0.00 N0 ATOM 0 H ASN A 14 8.478 15.401 -12.038 1.00 0.00 H new ATOM 0 HA ASN A 14 10.543 16.291 -13.963 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.122 13.591 -12.659 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.101 13.817 -14.095 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.576 14.670 -10.425 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.971 13.983 -10.694 1.00 0.00 H new ATOM 215 N ILE A 15 7.646 15.452 -14.508 1.00 0.00 N0 ATOM 216 CA ILE A 15 6.627 15.189 -15.517 1.00 0.00 C0 ATOM 217 C ILE A 15 6.006 16.485 -16.024 1.00 0.00 C0 ATOM 218 O ILE A 15 5.461 17.269 -15.246 1.00 0.00 O0 ATOM 219 CB ILE A 15 5.522 14.275 -14.955 1.00 0.00 C0 ATOM 220 CG1 ILE A 15 6.101 12.912 -14.569 1.00 0.00 C0 ATOM 221 CG2 ILE A 15 4.400 14.112 -15.971 1.00 0.00 C0 ATOM 222 CD1 ILE A 15 5.138 12.033 -13.805 1.00 0.00 C0 ATOM 0 H ILE A 15 7.294 15.897 -13.660 1.00 0.00 H new ATOM 0 HA ILE A 15 7.117 14.686 -16.350 1.00 0.00 H new ATOM 0 HB ILE A 15 5.110 14.739 -14.059 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.413 12.391 -15.474 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.995 13.066 -13.965 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.627 13.463 -15.559 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.971 15.088 -16.199 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.797 13.668 -16.884 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.621 11.085 -13.567 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.844 12.532 -12.882 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.253 11.847 -14.414 1.00 0.00 H new ATOM 234 N THR A 16 6.092 16.704 -17.331 1.00 0.00 N0 ATOM 235 CA THR A 16 5.552 17.912 -17.943 1.00 0.00 C0 ATOM 236 C THR A 16 4.077 17.744 -18.285 1.00 0.00 C0 ATOM 237 O THR A 16 3.525 16.649 -18.174 1.00 0.00 O0 ATOM 238 CB THR A 16 6.338 18.290 -19.212 1.00 0.00 C0 ATOM 239 OG1 THR A 16 6.147 17.282 -20.213 1.00 0.00 O0 ATOM 240 CG2 THR A 16 7.821 18.418 -18.902 1.00 0.00 C0 ATOM 0 H THR A 16 6.531 16.059 -17.988 1.00 0.00 H new ATOM 0 HA THR A 16 5.653 18.716 -17.214 1.00 0.00 H new ATOM 0 HB THR A 16 5.970 19.249 -19.578 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.701 16.502 -20.002 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.361 18.686 -19.810 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.970 19.193 -18.150 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.197 17.468 -18.523 1.00 0.00 H new ATOM 248 N LEU A 17 3.443 18.835 -18.702 1.00 0.00 N0 ATOM 249 CA LEU A 17 2.030 18.811 -19.061 1.00 0.00 C0 ATOM 250 C LEU A 17 1.776 17.870 -20.231 1.00 0.00 C0 ATOM 251 O LEU A 17 0.768 17.163 -20.265 1.00 0.00 O0 ATOM 252 CB LEU A 17 1.550 20.223 -19.418 1.00 0.00 C0 ATOM 253 CG LEU A 17 1.488 21.219 -18.252 1.00 0.00 C0 ATOM 254 CD1 LEU A 17 1.165 22.607 -18.788 1.00 0.00 C0 ATOM 255 CD2 LEU A 17 0.439 20.763 -17.250 1.00 0.00 C0 ATOM 0 H LEU A 17 3.887 19.748 -18.800 1.00 0.00 H new ATOM 0 HA LEU A 17 1.471 18.446 -18.199 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.211 20.629 -20.184 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.557 20.148 -19.861 1.00 0.00 H new ATOM 0 HG LEU A 17 2.452 21.261 -17.745 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.121 23.315 -17.961 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.940 22.916 -19.489 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.202 22.585 -19.299 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.395 21.470 -16.422 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.534 20.715 -17.738 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.703 19.776 -16.870 1.00 0.00 H new ATOM 267 N GLU A 18 2.695 17.863 -21.190 1.00 0.00 N0 ATOM 268 CA GLU A 18 2.602 16.966 -22.335 1.00 0.00 C0 ATOM 269 C GLU A 18 2.760 15.513 -21.910 1.00 0.00 C0 ATOM 270 O GLU A 18 2.097 14.623 -22.444 1.00 0.00 O0 ATOM 271 CB GLU A 18 3.664 17.321 -23.379 1.00 0.00 C0 ATOM 272 CG GLU A 18 3.431 18.649 -24.086 1.00 0.00 C0 ATOM 273 CD GLU A 18 4.501 18.971 -25.092 1.00 0.00 C0 ATOM 274 OE1 GLU A 18 5.450 18.229 -25.181 1.00 0.00 O0 ATOM 275 OE2 GLU A 18 4.370 19.960 -25.772 1.00 0.00 O1- ATOM 0 H GLU A 18 3.515 18.470 -21.197 1.00 0.00 H new ATOM 0 HA GLU A 18 1.612 17.089 -22.775 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.639 17.348 -22.893 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.702 16.528 -24.125 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.464 18.623 -24.588 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.384 19.447 -23.344 1.00 0.00 H new ATOM 282 N ASP A 19 3.643 15.276 -20.945 1.00 0.00 N0 ATOM 283 CA ASP A 19 3.855 13.935 -20.413 1.00 0.00 C0 ATOM 284 C ASP A 19 2.630 13.444 -19.653 1.00 0.00 C0 ATOM 285 O ASP A 19 2.297 12.260 -19.692 1.00 0.00 O0 ATOM 286 CB ASP A 19 5.078 13.911 -19.491 1.00 0.00 C0 ATOM 287 CG ASP A 19 6.390 14.089 -20.243 1.00 0.00 C0 ATOM 288 OD1 ASP A 19 6.545 13.485 -21.279 1.00 0.00 O0 ATOM 289 OD2 ASP A 19 7.224 14.827 -19.776 1.00 0.00 O1- ATOM 0 H ASP A 19 4.224 15.996 -20.515 1.00 0.00 H new ATOM 0 HA ASP A 19 4.029 13.268 -21.257 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.981 14.702 -18.747 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.100 12.965 -18.950 1.00 0.00 H new ATOM 294 N LEU A 20 1.962 14.361 -18.962 1.00 0.00 N0 ATOM 295 CA LEU A 20 0.706 14.049 -18.289 1.00 0.00 C0 ATOM 296 C LEU A 20 -0.362 13.621 -19.285 1.00 0.00 C0 ATOM 297 O LEU A 20 -1.120 12.684 -19.034 1.00 0.00 O0 ATOM 298 CB LEU A 20 0.214 15.265 -17.494 1.00 0.00 C0 ATOM 299 CG LEU A 20 1.024 15.610 -16.236 1.00 0.00 C0 ATOM 300 CD1 LEU A 20 0.532 16.931 -15.662 1.00 0.00 C0 ATOM 301 CD2 LEU A 20 0.886 14.486 -15.220 1.00 0.00 C0 ATOM 0 H LEU A 20 2.269 15.327 -18.853 1.00 0.00 H new ATOM 0 HA LEU A 20 0.891 13.220 -17.606 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.216 16.132 -18.154 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.821 15.090 -17.201 1.00 0.00 H new ATOM 0 HG LEU A 20 2.079 15.717 -16.489 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.107 17.176 -14.769 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.659 17.720 -16.403 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.523 16.844 -15.402 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.461 14.730 -14.327 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.164 14.363 -14.954 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.262 13.558 -15.651 1.00 0.00 H new ATOM 313 N GLU A 21 -0.418 14.312 -20.418 1.00 0.00 N0 ATOM 314 CA GLU A 21 -1.398 14.008 -21.455 1.00 0.00 C0 ATOM 315 C GLU A 21 -1.126 12.649 -22.087 1.00 0.00 C0 ATOM 316 O GLU A 21 -2.052 11.942 -22.484 1.00 0.00 O0 ATOM 317 CB GLU A 21 -1.389 15.094 -22.533 1.00 0.00 C0 ATOM 318 CG GLU A 21 -1.954 16.433 -22.081 1.00 0.00 C0 ATOM 319 CD GLU A 21 -3.391 16.345 -21.647 1.00 0.00 C0 ATOM 320 OE1 GLU A 21 -4.172 15.756 -22.355 1.00 0.00 O0 ATOM 321 OE2 GLU A 21 -3.708 16.868 -20.604 1.00 0.00 O1- ATOM 0 H GLU A 21 0.205 15.088 -20.642 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.381 13.978 -20.986 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.364 15.242 -22.874 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.962 14.742 -23.391 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.353 16.815 -21.256 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.869 17.151 -22.896 1.00 0.00 H new ATOM 328 N GLN A 22 0.150 12.290 -22.179 1.00 0.00 N0 ATOM 329 CA GLN A 22 0.542 10.973 -22.669 1.00 0.00 C0 ATOM 330 C GLN A 22 0.056 9.871 -21.735 1.00 0.00 C0 ATOM 331 O GLN A 22 -0.451 8.844 -22.184 1.00 0.00 O0 ATOM 332 CB GLN A 22 2.062 10.890 -22.828 1.00 0.00 C0 ATOM 333 CG GLN A 22 2.614 11.724 -23.972 1.00 0.00 C0 ATOM 334 CD GLN A 22 4.130 11.714 -24.016 1.00 0.00 C0 ATOM 335 OE1 GLN A 22 4.757 10.652 -24.056 1.00 0.00 O0 ATOM 336 NE2 GLN A 22 4.730 12.900 -24.008 1.00 0.00 N0 ATOM 0 H GLN A 22 0.931 12.893 -21.921 1.00 0.00 H new ATOM 0 HA GLN A 22 0.074 10.828 -23.643 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.532 11.212 -21.899 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.344 9.849 -22.983 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.223 11.344 -24.916 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.263 12.751 -23.872 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.172 13.753 -23.974 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.748 12.957 -24.036 1.00 0.00 H new ATOM 345 N LEU A 23 0.214 10.093 -20.435 1.00 0.00 N0 ATOM 346 CA LEU A 23 -0.246 9.138 -19.434 1.00 0.00 C0 ATOM 347 C LEU A 23 -1.767 9.112 -19.355 1.00 0.00 C0 ATOM 348 O LEU A 23 -2.370 8.055 -19.167 1.00 0.00 O0 ATOM 349 CB LEU A 23 0.336 9.489 -18.058 1.00 0.00 C0 ATOM 350 CG LEU A 23 1.850 9.290 -17.907 1.00 0.00 C0 ATOM 351 CD1 LEU A 23 2.302 9.842 -16.561 1.00 0.00 C0 ATOM 352 CD2 LEU A 23 2.183 7.811 -18.032 1.00 0.00 C0 ATOM 0 H LEU A 23 0.658 10.927 -20.049 1.00 0.00 H new ATOM 0 HA LEU A 23 0.101 8.149 -19.733 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.101 10.531 -17.839 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.169 8.884 -17.305 1.00 0.00 H new ATOM 0 HG LEU A 23 2.378 9.828 -18.695 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.377 9.701 -16.453 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.068 10.905 -16.507 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.784 9.315 -15.759 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.258 7.670 -17.925 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.664 7.254 -17.252 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.865 7.448 -19.009 1.00 0.00 H new ATOM 364 N LYS A 24 -2.383 10.280 -19.502 1.00 0.00 N0 ATOM 365 CA LYS A 24 -3.837 10.382 -19.524 1.00 0.00 C0 ATOM 366 C LYS A 24 -4.422 9.664 -20.732 1.00 0.00 C0 ATOM 367 O LYS A 24 -5.481 9.044 -20.645 1.00 0.00 O0 ATOM 368 CB LYS A 24 -4.271 11.849 -19.523 1.00 0.00 C0 ATOM 369 CG LYS A 24 -4.076 12.562 -18.191 1.00 0.00 C0 ATOM 370 CD LYS A 24 -4.156 14.072 -18.356 1.00 0.00 C0 ATOM 371 CE LYS A 24 -5.575 14.521 -18.672 1.00 0.00 C0 ATOM 372 NZ LYS A 24 -5.682 16.002 -18.772 1.00 0.00 N1+ ATOM 0 H LYS A 24 -1.897 11.170 -19.608 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.218 9.899 -18.624 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.711 12.381 -20.292 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.324 11.904 -19.800 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.836 12.230 -17.484 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.108 12.291 -17.769 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.814 14.558 -17.442 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.486 14.388 -19.155 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.897 14.070 -19.611 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.251 14.160 -17.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.678 16.270 -18.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.319 16.436 -17.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.123 16.336 -19.583 1.00 0.00 H new ATOM 386 N SER A 25 -3.726 9.751 -21.860 1.00 0.00 N0 ATOM 387 CA SER A 25 -4.121 9.027 -23.063 1.00 0.00 C0 ATOM 388 C SER A 25 -3.941 7.525 -22.886 1.00 0.00 C0 ATOM 389 O SER A 25 -4.790 6.736 -23.302 1.00 0.00 O0 ATOM 390 CB SER A 25 -3.310 9.506 -24.251 1.00 0.00 C0 ATOM 391 OG SER A 25 -3.590 10.848 -24.542 1.00 0.00 O0 ATOM 0 H SER A 25 -2.884 10.317 -21.967 1.00 0.00 H new ATOM 0 HA SER A 25 -5.177 9.226 -23.243 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.247 9.390 -24.041 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.532 8.888 -25.121 1.00 0.00 H new ATOM 0 HG SER A 25 -3.111 11.426 -23.912 1.00 0.00 H new ATOM 397 N ALA A 26 -2.832 7.135 -22.267 1.00 0.00 N0 ATOM 398 CA ALA A 26 -2.561 5.730 -21.993 1.00 0.00 C0 ATOM 399 C ALA A 26 -3.655 5.115 -21.131 1.00 0.00 C0 ATOM 400 O ALA A 26 -4.059 3.971 -21.344 1.00 0.00 O0 ATOM 401 CB ALA A 26 -1.206 5.574 -21.319 1.00 0.00 C0 ATOM 0 H ALA A 26 -2.105 7.774 -21.945 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.545 5.199 -22.945 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.018 4.519 -21.121 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.427 5.965 -21.973 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.201 6.126 -20.379 1.00 0.00 H new ATOM 407 N CYS A 27 -4.134 5.880 -20.156 1.00 0.00 N0 ATOM 408 CA CYS A 27 -5.235 5.442 -19.307 1.00 0.00 C0 ATOM 409 C CYS A 27 -6.518 6.196 -19.634 1.00 0.00 C0 ATOM 410 O CYS A 27 -7.284 6.553 -18.739 1.00 0.00 O0 ATOM 411 CB CYS A 27 -4.891 5.646 -17.832 1.00 0.00 C0 ATOM 412 SG CYS A 27 -3.479 4.671 -17.260 1.00 0.00 S0 ATOM 0 H CYS A 27 -3.776 6.809 -19.934 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.393 4.381 -19.499 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.682 6.702 -17.662 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.762 5.392 -17.228 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.828 3.423 -17.154 1.00 0.00 H new ATOM 418 N LYS A 28 -6.745 6.436 -20.921 1.00 0.00 N0 ATOM 419 CA LYS A 28 -7.931 7.158 -21.367 1.00 0.00 C0 ATOM 420 C LYS A 28 -9.206 6.446 -20.930 1.00 0.00 C0 ATOM 421 O LYS A 28 -10.152 7.079 -20.462 1.00 0.00 O0 ATOM 422 CB LYS A 28 -7.916 7.323 -22.887 1.00 0.00 C0 ATOM 423 CG LYS A 28 -9.104 8.094 -23.448 1.00 0.00 C0 ATOM 424 CD LYS A 28 -8.989 8.268 -24.954 1.00 0.00 C0 ATOM 425 CE LYS A 28 -10.193 9.007 -25.521 1.00 0.00 C0 ATOM 426 NZ LYS A 28 -10.093 9.185 -26.995 1.00 0.00 N1+ ATOM 0 H LYS A 28 -6.123 6.141 -21.674 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.916 8.144 -20.903 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.998 7.834 -23.176 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.889 6.335 -23.347 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.028 7.566 -23.210 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.164 9.072 -22.970 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.078 8.818 -25.190 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.903 7.291 -25.429 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.102 8.455 -25.283 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.278 9.983 -25.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.932 9.692 -27.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.239 9.734 -27.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.038 8.254 -27.454 1.00 0.00 H new ATOM 440 N GLU A 29 -9.224 5.127 -21.086 1.00 0.00 N0 ATOM 441 CA GLU A 29 -10.396 4.331 -20.744 1.00 0.00 C0 ATOM 442 C GLU A 29 -10.324 3.833 -19.306 1.00 0.00 C0 ATOM 443 O GLU A 29 -11.350 3.590 -18.671 1.00 0.00 O0 ATOM 444 CB GLU A 29 -10.533 3.144 -21.699 1.00 0.00 C0 ATOM 445 CG GLU A 29 -10.813 3.529 -23.145 1.00 0.00 C0 ATOM 446 CD GLU A 29 -10.919 2.339 -24.057 1.00 0.00 C0 ATOM 447 OE1 GLU A 29 -10.685 1.245 -23.605 1.00 0.00 O0 ATOM 448 OE2 GLU A 29 -11.235 2.525 -25.209 1.00 0.00 O1- ATOM 0 H GLU A 29 -8.439 4.586 -21.448 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.273 4.972 -20.842 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.615 2.557 -21.663 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.338 2.500 -21.345 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.741 4.099 -23.191 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.018 4.184 -23.502 1.00 0.00 H new ATOM 455 N ASP A 30 -9.105 3.682 -18.798 1.00 0.00 N0 ATOM 456 CA ASP A 30 -8.894 3.137 -17.464 1.00 0.00 C0 ATOM 457 C ASP A 30 -9.247 4.157 -16.389 1.00 0.00 C0 ATOM 458 O ASP A 30 -9.832 3.813 -15.361 1.00 0.00 O0 ATOM 459 CB ASP A 30 -7.440 2.688 -17.291 1.00 0.00 C0 ATOM 460 CG ASP A 30 -7.099 1.455 -18.117 1.00 0.00 C0 ATOM 461 OD1 ASP A 30 -8.005 0.825 -18.610 1.00 0.00 O0 ATOM 462 OD2 ASP A 30 -5.936 1.154 -18.246 1.00 0.00 O1- ATOM 0 H ASP A 30 -8.248 3.930 -19.292 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.552 2.275 -17.352 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.776 3.505 -17.575 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.253 2.477 -16.238 1.00 0.00 H new ATOM 467 N ILE A 31 -8.889 5.413 -16.631 1.00 0.00 N0 ATOM 468 CA ILE A 31 -9.178 6.487 -15.690 1.00 0.00 C0 ATOM 469 C ILE A 31 -10.243 7.428 -16.237 1.00 0.00 C0 ATOM 470 O ILE A 31 -10.089 7.994 -17.319 1.00 0.00 O0 ATOM 471 CB ILE A 31 -7.904 7.288 -15.364 1.00 0.00 C0 ATOM 472 CG1 ILE A 31 -6.852 6.380 -14.722 1.00 0.00 C0 ATOM 473 CG2 ILE A 31 -8.230 8.459 -14.449 1.00 0.00 C0 ATOM 474 CD1 ILE A 31 -5.509 7.045 -14.524 1.00 0.00 C0 ATOM 0 H ILE A 31 -8.397 5.712 -17.473 1.00 0.00 H new ATOM 0 HA ILE A 31 -9.554 6.025 -14.777 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.496 7.683 -16.294 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.223 6.037 -13.756 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.720 5.495 -15.345 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.318 9.014 -14.229 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -8.945 9.117 -14.942 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.661 8.086 -13.520 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.817 6.339 -14.065 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.115 7.363 -15.489 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.625 7.913 -13.875 1.00 0.00 H new ATOM 486 N PRO A 32 -11.324 7.591 -15.483 1.00 0.00 N0 ATOM 487 CA PRO A 32 -12.407 8.485 -15.877 1.00 0.00 C0 ATOM 488 C PRO A 32 -11.886 9.888 -16.163 1.00 0.00 C0 ATOM 489 O PRO A 32 -10.968 10.367 -15.497 1.00 0.00 O0 ATOM 490 CB PRO A 32 -13.334 8.464 -14.658 1.00 0.00 C0 ATOM 491 CG PRO A 32 -13.096 7.129 -14.040 1.00 0.00 C0 ATOM 492 CD PRO A 32 -11.618 6.894 -14.215 1.00 0.00 C0 ATOM 0 HA PRO A 32 -12.908 8.178 -16.795 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -13.098 9.271 -13.965 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.377 8.588 -14.949 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.378 7.123 -12.987 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -13.683 6.353 -14.532 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.042 7.304 -13.385 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -11.381 5.832 -14.273 1.00 0.00 H new ATOM 500 N SER A 33 -12.479 10.543 -17.156 1.00 0.00 N0 ATOM 501 CA SER A 33 -11.989 11.835 -17.621 1.00 0.00 C0 ATOM 502 C SER A 33 -12.096 12.890 -16.528 1.00 0.00 C0 ATOM 503 O SER A 33 -11.299 13.827 -16.476 1.00 0.00 O0 ATOM 504 CB SER A 33 -12.768 12.279 -18.843 1.00 0.00 C0 ATOM 505 OG SER A 33 -14.104 12.547 -18.517 1.00 0.00 O0 ATOM 0 H SER A 33 -13.300 10.200 -17.654 1.00 0.00 H new ATOM 0 HA SER A 33 -10.937 11.721 -17.884 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.308 13.171 -19.268 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.725 11.503 -19.608 1.00 0.00 H new ATOM 0 HG SER A 33 -14.586 12.833 -19.321 1.00 0.00 H new ATOM 511 N GLU A 34 -13.086 12.733 -15.655 1.00 0.00 N0 ATOM 512 CA GLU A 34 -13.274 13.650 -14.537 1.00 0.00 C0 ATOM 513 C GLU A 34 -12.251 13.395 -13.438 1.00 0.00 C0 ATOM 514 O GLU A 34 -12.081 14.212 -12.533 1.00 0.00 O0 ATOM 515 CB GLU A 34 -14.689 13.516 -13.970 1.00 0.00 C0 ATOM 516 CG GLU A 34 -15.015 12.137 -13.411 1.00 0.00 C0 ATOM 517 CD GLU A 34 -15.494 11.177 -14.464 1.00 0.00 C0 ATOM 518 OE1 GLU A 34 -15.166 11.369 -15.610 1.00 0.00 O0 ATOM 519 OE2 GLU A 34 -16.190 10.250 -14.122 1.00 0.00 O1- ATOM 0 H GLU A 34 -13.771 11.979 -15.701 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.132 14.664 -14.910 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.822 14.256 -13.180 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.406 13.755 -14.755 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.127 11.727 -12.929 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.780 12.234 -12.640 1.00 0.00 H new ATOM 526 N LYS A 35 -11.568 12.258 -13.524 1.00 0.00 N0 ATOM 527 CA LYS A 35 -10.524 11.917 -12.565 1.00 0.00 C0 ATOM 528 C LYS A 35 -9.139 12.159 -13.151 1.00 0.00 C0 ATOM 529 O LYS A 35 -8.179 12.403 -12.420 1.00 0.00 O0 ATOM 530 CB LYS A 35 -10.660 10.460 -12.119 1.00 0.00 C0 ATOM 531 CG LYS A 35 -11.949 10.149 -11.371 1.00 0.00 C0 ATOM 532 CD LYS A 35 -12.073 10.992 -10.111 1.00 0.00 C0 ATOM 533 CE LYS A 35 -13.338 10.651 -9.337 1.00 0.00 C0 ATOM 534 NZ LYS A 35 -13.500 11.505 -8.129 1.00 0.00 N1+ ATOM 0 H LYS A 35 -11.719 11.557 -14.249 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.645 12.564 -11.696 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.600 9.817 -12.997 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.814 10.208 -11.480 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.804 10.335 -12.021 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.973 9.092 -11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.202 10.831 -9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.082 12.049 -10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.205 10.774 -9.987 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.309 9.603 -9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.374 11.240 -7.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.686 11.369 -7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.554 12.504 -8.414 1.00 0.00 H new ATOM 548 N SER A 36 -9.041 12.089 -14.474 1.00 0.00 N0 ATOM 549 CA SER A 36 -7.782 12.342 -15.164 1.00 0.00 C0 ATOM 550 C SER A 36 -7.358 13.798 -15.021 1.00 0.00 C0 ATOM 551 O SER A 36 -6.188 14.134 -15.200 1.00 0.00 O0 ATOM 552 CB SER A 36 -7.910 11.985 -16.632 1.00 0.00 C0 ATOM 553 OG SER A 36 -8.744 12.893 -17.299 1.00 0.00 O0 ATOM 0 H SER A 36 -9.820 11.859 -15.091 1.00 0.00 H new ATOM 0 HA SER A 36 -7.016 11.717 -14.705 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.924 11.983 -17.097 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.312 10.977 -16.731 1.00 0.00 H new ATOM 0 HG SER A 36 -9.542 13.063 -16.757 1.00 0.00 H new ATOM 559 N GLU A 37 -8.317 14.658 -14.697 1.00 0.00 N0 ATOM 560 CA GLU A 37 -8.035 16.072 -14.474 1.00 0.00 C0 ATOM 561 C GLU A 37 -7.701 16.342 -13.012 1.00 0.00 C0 ATOM 562 O GLU A 37 -7.331 17.458 -12.646 1.00 0.00 O0 ATOM 563 CB GLU A 37 -9.229 16.928 -14.901 1.00 0.00 C0 ATOM 564 CG GLU A 37 -9.584 16.821 -16.377 1.00 0.00 C0 ATOM 565 CD GLU A 37 -8.473 17.282 -17.280 1.00 0.00 C0 ATOM 566 OE1 GLU A 37 -7.773 18.194 -16.911 1.00 0.00 O0 ATOM 567 OE2 GLU A 37 -8.326 16.722 -18.341 1.00 0.00 O1- ATOM 0 H GLU A 37 -9.297 14.401 -14.583 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.169 16.339 -15.080 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.098 16.639 -14.309 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.015 17.971 -14.666 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.831 15.786 -16.612 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.477 17.414 -16.575 1.00 0.00 H new ATOM 574 N GLU A 38 -7.833 15.314 -12.180 1.00 0.00 N0 ATOM 575 CA GLU A 38 -7.499 15.426 -10.766 1.00 0.00 C0 ATOM 576 C GLU A 38 -6.112 14.862 -10.481 1.00 0.00 C0 ATOM 577 O GLU A 38 -5.617 14.947 -9.357 1.00 0.00 O0 ATOM 578 CB GLU A 38 -8.540 14.699 -9.912 1.00 0.00 C0 ATOM 579 CG GLU A 38 -9.943 15.285 -9.998 1.00 0.00 C0 ATOM 580 CD GLU A 38 -10.941 14.538 -9.158 1.00 0.00 C0 ATOM 581 OE1 GLU A 38 -10.574 13.547 -8.574 1.00 0.00 O0 ATOM 582 OE2 GLU A 38 -12.073 14.960 -9.100 1.00 0.00 O1- ATOM 0 H GLU A 38 -8.169 14.393 -12.462 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.500 16.485 -10.507 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.577 13.653 -10.217 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.215 14.716 -8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.916 16.327 -9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.272 15.277 -11.037 1.00 0.00 H new ATOM 589 N ILE A 39 -5.491 14.288 -11.504 1.00 0.00 N0 ATOM 590 CA ILE A 39 -4.191 13.646 -11.349 1.00 0.00 C0 ATOM 591 C ILE A 39 -3.099 14.436 -12.058 1.00 0.00 C0 ATOM 592 O ILE A 39 -3.018 14.439 -13.287 1.00 0.00 O0 ATOM 593 CB ILE A 39 -4.221 12.207 -11.896 1.00 0.00 C0 ATOM 594 CG1 ILE A 39 -5.271 11.376 -11.155 1.00 0.00 C0 ATOM 595 CG2 ILE A 39 -2.848 11.564 -11.776 1.00 0.00 C0 ATOM 596 CD1 ILE A 39 -5.538 10.027 -11.783 1.00 0.00 C0 ATOM 0 H ILE A 39 -5.867 14.254 -12.451 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.968 13.618 -10.282 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.492 12.243 -12.951 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.944 11.229 -10.126 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.204 11.939 -11.115 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.887 10.547 -12.167 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.123 12.145 -12.346 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.549 11.538 -10.728 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.293 9.498 -11.201 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.897 10.165 -12.803 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.617 9.444 -11.798 1.00 0.00 H new ATOM 608 N THR A 40 -2.259 15.106 -11.276 1.00 0.00 N0 ATOM 609 CA THR A 40 -1.187 15.926 -11.829 1.00 0.00 C0 ATOM 610 C THR A 40 0.161 15.551 -11.227 1.00 0.00 C0 ATOM 611 O THR A 40 1.206 15.755 -11.845 1.00 0.00 O0 ATOM 612 CB THR A 40 -1.458 17.425 -11.594 1.00 0.00 C0 ATOM 613 OG1 THR A 40 -1.505 17.690 -10.187 1.00 0.00 O0 ATOM 614 CG2 THR A 40 -2.780 17.832 -12.227 1.00 0.00 C0 ATOM 0 H THR A 40 -2.300 15.097 -10.257 1.00 0.00 H new ATOM 0 HA THR A 40 -1.157 15.736 -12.902 1.00 0.00 H new ATOM 0 HB THR A 40 -0.654 18.001 -12.052 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.676 18.644 -10.039 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.956 18.893 -12.052 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.743 17.643 -13.300 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.589 17.252 -11.784 1.00 0.00 H new ATOM 622 N THR A 41 0.130 15.000 -10.018 1.00 0.00 N0 ATOM 623 CA THR A 41 1.352 14.630 -9.314 1.00 0.00 C0 ATOM 624 C THR A 41 1.668 13.151 -9.497 1.00 0.00 C0 ATOM 625 O THR A 41 0.811 12.371 -9.913 1.00 0.00 O0 ATOM 626 CB THR A 41 1.246 14.954 -7.812 1.00 0.00 C0 ATOM 627 OG1 THR A 41 0.285 14.085 -7.200 1.00 0.00 O0 ATOM 628 CG2 THR A 41 0.819 16.400 -7.607 1.00 0.00 C0 ATOM 0 H THR A 41 -0.729 14.800 -9.505 1.00 0.00 H new ATOM 0 HA THR A 41 2.163 15.217 -9.745 1.00 0.00 H new ATOM 0 HB THR A 41 2.224 14.806 -7.354 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.694 13.634 -6.432 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.749 16.611 -6.540 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.554 17.064 -8.061 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.153 16.562 -8.073 1.00 0.00 H new ATOM 636 N GLY A 42 2.902 12.772 -9.185 1.00 0.00 N0 ATOM 637 CA GLY A 42 3.317 11.377 -9.262 1.00 0.00 C0 ATOM 638 C GLY A 42 2.626 10.537 -8.196 1.00 0.00 C0 ATOM 639 O GLY A 42 2.313 9.366 -8.420 1.00 0.00 O0 ATOM 0 H GLY A 42 3.633 13.412 -8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.084 10.979 -10.250 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.398 11.309 -9.138 1.00 0.00 H new ATOM 643 N SER A 43 2.390 11.139 -7.035 1.00 0.00 N0 ATOM 644 CA SER A 43 1.681 10.467 -5.953 1.00 0.00 C0 ATOM 645 C SER A 43 0.214 10.259 -6.303 1.00 0.00 C0 ATOM 646 O SER A 43 -0.409 9.293 -5.859 1.00 0.00 O0 ATOM 647 CB SER A 43 1.797 11.273 -4.674 1.00 0.00 C0 ATOM 648 OG SER A 43 1.127 12.499 -4.790 1.00 0.00 O0 ATOM 0 H SER A 43 2.680 12.093 -6.819 1.00 0.00 H new ATOM 0 HA SER A 43 2.139 9.489 -5.806 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.381 10.704 -3.843 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.848 11.449 -4.445 1.00 0.00 H new ATOM 0 HG SER A 43 1.215 13.000 -3.952 1.00 0.00 H new ATOM 654 N ALA A 44 -0.335 11.169 -7.100 1.00 0.00 N0 ATOM 655 CA ALA A 44 -1.716 11.056 -7.556 1.00 0.00 C0 ATOM 656 C ALA A 44 -1.894 9.860 -8.482 1.00 0.00 C0 ATOM 657 O ALA A 44 -2.869 9.117 -8.372 1.00 0.00 O0 ATOM 658 CB ALA A 44 -2.149 12.336 -8.256 1.00 0.00 C0 ATOM 0 H ALA A 44 0.156 11.994 -7.444 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.348 10.902 -6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.182 12.236 -8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.071 13.174 -7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.505 12.516 -9.117 1.00 0.00 H new ATOM 664 N TRP A 45 -0.944 9.677 -9.394 1.00 0.00 N0 ATOM 665 CA TRP A 45 -0.947 8.522 -10.282 1.00 0.00 C0 ATOM 666 C TRP A 45 -0.954 7.220 -9.492 1.00 0.00 C0 ATOM 667 O TRP A 45 -1.763 6.329 -9.750 1.00 0.00 O0 ATOM 668 CB TRP A 45 0.271 8.556 -11.207 1.00 0.00 C0 ATOM 669 CG TRP A 45 0.165 9.576 -12.299 1.00 0.00 C0 ATOM 670 CD1 TRP A 45 0.897 10.719 -12.421 1.00 0.00 C0 ATOM 671 CD2 TRP A 45 -0.730 9.550 -13.437 1.00 0.00 C0 ATOM 672 NE1 TRP A 45 0.520 11.404 -13.550 1.00 0.00 N0 ATOM 673 CE2 TRP A 45 -0.474 10.702 -14.184 1.00 0.00 C0 ATOM 674 CE3 TRP A 45 -1.714 8.653 -13.874 1.00 0.00 C0 ATOM 675 CZ2 TRP A 45 -1.166 10.989 -15.350 1.00 0.00 C0 ATOM 676 CZ3 TRP A 45 -2.406 8.941 -15.045 1.00 0.00 C0 ATOM 677 CH2 TRP A 45 -2.139 10.078 -15.762 1.00 0.00 C0 ATOM 0 H TRP A 45 -0.162 10.316 -9.537 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.856 8.568 -10.882 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.162 8.762 -10.614 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.406 7.571 -11.653 1.00 0.00 H new ATOM 0 HD1 TRP A 45 1.663 11.040 -11.730 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.915 12.290 -13.866 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -1.930 7.756 -13.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.960 11.884 -15.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -3.166 8.258 -15.395 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -2.695 10.273 -16.667 1.00 0.00 H new ATOM 688 N PHE A 46 -0.046 7.114 -8.527 1.00 0.00 N0 ATOM 689 CA PHE A 46 0.069 5.912 -7.710 1.00 0.00 C0 ATOM 690 C PHE A 46 -1.168 5.713 -6.845 1.00 0.00 C0 ATOM 691 O PHE A 46 -1.781 4.646 -6.856 1.00 0.00 O0 ATOM 692 CB PHE A 46 1.312 5.985 -6.823 1.00 0.00 C0 ATOM 693 CG PHE A 46 1.471 4.808 -5.904 1.00 0.00 C0 ATOM 694 CD1 PHE A 46 1.923 3.590 -6.387 1.00 0.00 C0 ATOM 695 CD2 PHE A 46 1.169 4.916 -4.555 1.00 0.00 C0 ATOM 696 CE1 PHE A 46 2.070 2.505 -5.543 1.00 0.00 C0 ATOM 697 CE2 PHE A 46 1.316 3.835 -3.708 1.00 0.00 C0 ATOM 698 CZ PHE A 46 1.766 2.627 -4.203 1.00 0.00 C0 ATOM 0 H PHE A 46 0.622 7.848 -8.292 1.00 0.00 H new ATOM 0 HA PHE A 46 0.159 5.061 -8.385 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.195 6.061 -7.457 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.268 6.896 -6.227 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.163 3.487 -7.435 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.814 5.857 -4.162 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.423 1.562 -5.933 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.079 3.934 -2.659 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.880 1.780 -3.543 1.00 0.00 H new ATOM 708 N SER A 47 -1.532 6.748 -6.095 1.00 0.00 N0 ATOM 709 CA SER A 47 -2.599 6.642 -5.107 1.00 0.00 C0 ATOM 710 C SER A 47 -3.915 6.239 -5.759 1.00 0.00 C0 ATOM 711 O SER A 47 -4.606 5.338 -5.282 1.00 0.00 O0 ATOM 712 CB SER A 47 -2.768 7.960 -4.377 1.00 0.00 C0 ATOM 713 OG SER A 47 -3.799 7.882 -3.431 1.00 0.00 O0 ATOM 0 H SER A 47 -1.103 7.671 -6.153 1.00 0.00 H new ATOM 0 HA SER A 47 -2.320 5.867 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.835 8.228 -3.882 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.987 8.751 -5.094 1.00 0.00 H new ATOM 0 HG SER A 47 -3.888 8.743 -2.972 1.00 0.00 H new ATOM 719 N PHE A 48 -4.258 6.912 -6.852 1.00 0.00 N0 ATOM 720 CA PHE A 48 -5.510 6.649 -7.553 1.00 0.00 C0 ATOM 721 C PHE A 48 -5.592 5.196 -8.006 1.00 0.00 C0 ATOM 722 O PHE A 48 -6.549 4.490 -7.689 1.00 0.00 O0 ATOM 723 CB PHE A 48 -5.650 7.574 -8.762 1.00 0.00 C0 ATOM 724 CG PHE A 48 -6.939 7.401 -9.512 1.00 0.00 C0 ATOM 725 CD1 PHE A 48 -8.066 8.129 -9.158 1.00 0.00 C0 ATOM 726 CD2 PHE A 48 -7.030 6.511 -10.571 1.00 0.00 C0 ATOM 727 CE1 PHE A 48 -9.255 7.970 -9.847 1.00 0.00 C0 ATOM 728 CE2 PHE A 48 -8.216 6.352 -11.262 1.00 0.00 C0 ATOM 729 CZ PHE A 48 -9.329 7.082 -10.898 1.00 0.00 C0 ATOM 0 H PHE A 48 -3.686 7.645 -7.272 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.327 6.841 -6.857 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.571 8.608 -8.427 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.818 7.395 -9.443 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -8.014 8.827 -8.336 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.163 5.935 -10.859 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.125 8.542 -9.561 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.272 5.657 -12.087 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.257 6.957 -11.436 1.00 0.00 H new ATOM 739 N LEU A 49 -4.584 4.756 -8.751 1.00 0.00 N0 ATOM 740 CA LEU A 49 -4.565 3.403 -9.292 1.00 0.00 C0 ATOM 741 C LEU A 49 -4.521 2.364 -8.179 1.00 0.00 C0 ATOM 742 O LEU A 49 -5.121 1.296 -8.290 1.00 0.00 O0 ATOM 743 CB LEU A 49 -3.357 3.219 -10.219 1.00 0.00 C0 ATOM 744 CG LEU A 49 -3.400 4.010 -11.534 1.00 0.00 C0 ATOM 745 CD1 LEU A 49 -2.058 3.892 -12.242 1.00 0.00 C0 ATOM 746 CD2 LEU A 49 -4.528 3.480 -12.407 1.00 0.00 C0 ATOM 0 H LEU A 49 -3.768 5.318 -8.994 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.484 3.259 -9.861 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.457 3.505 -9.674 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.263 2.159 -10.457 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.589 5.064 -11.330 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.089 4.454 -13.176 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.272 4.294 -11.602 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.850 2.844 -12.456 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.560 4.041 -13.341 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.356 2.425 -12.623 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.477 3.593 -11.883 1.00 0.00 H new ATOM 758 N GLU A 50 -3.806 2.685 -7.105 1.00 0.00 N0 ATOM 759 CA GLU A 50 -3.753 1.819 -5.934 1.00 0.00 C0 ATOM 760 C GLU A 50 -5.140 1.608 -5.342 1.00 0.00 C0 ATOM 761 O GLU A 50 -5.539 0.478 -5.057 1.00 0.00 O0 ATOM 762 CB GLU A 50 -2.821 2.411 -4.875 1.00 0.00 C0 ATOM 763 CG GLU A 50 -2.664 1.556 -3.626 1.00 0.00 C0 ATOM 764 CD GLU A 50 -1.821 2.213 -2.568 1.00 0.00 C0 ATOM 765 OE1 GLU A 50 -1.631 3.402 -2.642 1.00 0.00 O0 ATOM 766 OE2 GLU A 50 -1.367 1.523 -1.686 1.00 0.00 O1- ATOM 0 H GLU A 50 -3.255 3.539 -7.022 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.365 0.852 -6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.838 2.567 -5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.198 3.391 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.650 1.339 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.215 0.601 -3.900 1.00 0.00 H new ATOM 773 N SER A 51 -5.873 2.701 -5.159 1.00 0.00 N0 ATOM 774 CA SER A 51 -7.171 2.652 -4.497 1.00 0.00 C0 ATOM 775 C SER A 51 -8.188 1.888 -5.334 1.00 0.00 C0 ATOM 776 O SER A 51 -9.162 1.351 -4.808 1.00 0.00 O0 ATOM 777 CB SER A 51 -7.675 4.057 -4.231 1.00 0.00 C0 ATOM 778 OG SER A 51 -8.008 4.705 -5.428 1.00 0.00 O0 ATOM 0 H SER A 51 -5.589 3.633 -5.461 1.00 0.00 H new ATOM 0 HA SER A 51 -7.045 2.128 -3.550 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.548 4.017 -3.580 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.910 4.628 -3.704 1.00 0.00 H new ATOM 0 HG SER A 51 -7.273 4.607 -6.069 1.00 0.00 H new ATOM 784 N HIS A 52 -7.955 1.841 -6.642 1.00 0.00 N0 ATOM 785 CA HIS A 52 -8.833 1.116 -7.552 1.00 0.00 C0 ATOM 786 C HIS A 52 -8.259 -0.251 -7.900 1.00 0.00 C0 ATOM 787 O HIS A 52 -8.685 -0.886 -8.864 1.00 0.00 O0 ATOM 788 CB HIS A 52 -9.066 1.920 -8.835 1.00 0.00 C0 ATOM 789 CG HIS A 52 -9.912 3.139 -8.635 1.00 0.00 C0 ATOM 790 ND1 HIS A 52 -11.280 3.076 -8.474 1.00 0.00 N0 ATOM 791 CD2 HIS A 52 -9.586 4.451 -8.573 1.00 0.00 C0 ATOM 792 CE1 HIS A 52 -11.758 4.298 -8.320 1.00 0.00 C0 ATOM 793 NE2 HIS A 52 -10.752 5.150 -8.376 1.00 0.00 N0 ATOM 0 H HIS A 52 -7.164 2.298 -7.096 1.00 0.00 H new ATOM 0 HA HIS A 52 -9.786 0.972 -7.043 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.102 2.221 -9.245 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.541 1.276 -9.576 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.595 4.870 -8.662 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -12.796 4.556 -8.173 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -10.828 6.163 -8.287 1.00 0.00 H new ATOM 801 N ASN A 53 -7.290 -0.700 -7.108 1.00 0.00 N0 ATOM 802 CA ASN A 53 -6.758 -2.050 -7.240 1.00 0.00 C0 ATOM 803 C ASN A 53 -6.229 -2.299 -8.647 1.00 0.00 C0 ATOM 804 O ASN A 53 -6.413 -3.379 -9.207 1.00 0.00 O0 ATOM 805 CB ASN A 53 -7.813 -3.079 -6.876 1.00 0.00 C0 ATOM 806 CG ASN A 53 -8.243 -2.981 -5.439 1.00 0.00 C0 ATOM 807 OD1 ASN A 53 -7.414 -2.800 -4.540 1.00 0.00 O0 ATOM 808 ND2 ASN A 53 -9.525 -3.098 -5.205 1.00 0.00 N0 ATOM 0 H ASN A 53 -6.858 -0.147 -6.368 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.924 -2.150 -6.546 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.682 -2.948 -7.521 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.422 -4.078 -7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.876 -3.041 -4.249 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.173 -3.247 -5.978 1.00 0.00 H new ATOM 815 N LYS A 54 -5.571 -1.293 -9.212 1.00 0.00 N0 ATOM 816 CA LYS A 54 -4.975 -1.416 -10.538 1.00 0.00 C0 ATOM 817 C LYS A 54 -3.490 -1.736 -10.447 1.00 0.00 C0 ATOM 818 O LYS A 54 -2.855 -2.071 -11.447 1.00 0.00 O0 ATOM 819 CB LYS A 54 -5.189 -0.132 -11.342 1.00 0.00 C0 ATOM 820 CG LYS A 54 -6.650 0.250 -11.541 1.00 0.00 C0 ATOM 821 CD LYS A 54 -7.401 -0.820 -12.318 1.00 0.00 C0 ATOM 822 CE LYS A 54 -8.841 -0.406 -12.581 1.00 0.00 C0 ATOM 823 NZ LYS A 54 -9.597 -1.457 -13.316 1.00 0.00 N1+ ATOM 0 H LYS A 54 -5.436 -0.382 -8.773 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.469 -2.241 -11.051 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.677 0.688 -10.837 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.720 -0.247 -12.319 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.125 0.398 -10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.710 1.199 -12.074 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.895 -1.006 -13.266 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.386 -1.756 -11.759 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.337 -0.198 -11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.853 0.519 -13.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.573 -1.135 -13.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.139 -1.638 -14.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.608 -2.333 -12.755 1.00 0.00 H new ATOM 837 N LEU A 55 -2.940 -1.632 -9.242 1.00 0.00 N0 ATOM 838 CA LEU A 55 -1.519 -1.878 -9.024 1.00 0.00 C0 ATOM 839 C LEU A 55 -1.301 -3.097 -8.138 1.00 0.00 C0 ATOM 840 O LEU A 55 -2.108 -3.388 -7.255 1.00 0.00 O0 ATOM 841 CB LEU A 55 -0.861 -0.649 -8.385 1.00 0.00 C0 ATOM 842 CG LEU A 55 -1.048 0.674 -9.138 1.00 0.00 C0 ATOM 843 CD1 LEU A 55 -0.365 1.797 -8.371 1.00 0.00 C0 ATOM 844 CD2 LEU A 55 -0.475 0.544 -10.542 1.00 0.00 C0 ATOM 0 H LEU A 55 -3.457 -1.379 -8.400 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.060 -2.072 -9.993 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.258 -0.531 -7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.207 -0.842 -8.287 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.109 0.909 -9.219 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.498 2.737 -8.907 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.806 1.880 -7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.699 1.580 -8.279 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.608 1.484 -11.078 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.587 0.308 -10.481 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.994 -0.253 -11.074 1.00 0.00 H new ATOM 856 N ASP A 56 -0.204 -3.808 -8.378 1.00 0.00 N0 ATOM 857 CA ASP A 56 0.170 -4.944 -7.544 1.00 0.00 C0 ATOM 858 C ASP A 56 1.675 -5.181 -7.581 1.00 0.00 C0 ATOM 859 O ASP A 56 2.401 -4.513 -8.317 1.00 0.00 O0 ATOM 860 CB ASP A 56 -0.562 -6.209 -8.000 1.00 0.00 C0 ATOM 861 CG ASP A 56 -0.806 -7.193 -6.863 1.00 0.00 C0 ATOM 862 OD1 ASP A 56 -0.150 -7.081 -5.855 1.00 0.00 O0 ATOM 863 OD2 ASP A 56 -1.646 -8.047 -7.016 1.00 0.00 O1- ATOM 0 H ASP A 56 0.442 -3.617 -9.144 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.120 -4.712 -6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.518 -5.930 -8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.021 -6.699 -8.780 1.00 0.00 H new ATOM 868 N LYS A 57 2.138 -6.137 -6.782 1.00 0.00 N0 ATOM 869 CA LYS A 57 3.553 -6.486 -6.744 1.00 0.00 C0 ATOM 870 C LYS A 57 4.024 -7.020 -8.091 1.00 0.00 C0 ATOM 871 O LYS A 57 5.158 -6.778 -8.503 1.00 0.00 O0 ATOM 872 CB LYS A 57 3.821 -7.517 -5.646 1.00 0.00 C0 ATOM 873 CG LYS A 57 3.695 -6.974 -4.229 1.00 0.00 C0 ATOM 874 CD LYS A 57 3.944 -8.062 -3.196 1.00 0.00 C0 ATOM 875 CE LYS A 57 3.788 -7.528 -1.780 1.00 0.00 C0 ATOM 876 NZ LYS A 57 3.952 -8.600 -0.760 1.00 0.00 N1+ ATOM 0 H LYS A 57 1.552 -6.684 -6.151 1.00 0.00 H new ATOM 0 HA LYS A 57 4.115 -5.579 -6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.126 -8.348 -5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.825 -7.920 -5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.407 -6.162 -4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.699 -6.554 -4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.246 -8.884 -3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.948 -8.466 -3.326 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.525 -6.744 -1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.805 -7.071 -1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.838 -8.195 0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.233 -9.336 -0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.900 -9.019 -0.847 1.00 0.00 H new ATOM 890 N ASP A 58 3.146 -7.747 -8.773 1.00 0.00 N0 ATOM 891 CA ASP A 58 3.444 -8.253 -10.108 1.00 0.00 C0 ATOM 892 C ASP A 58 2.953 -7.292 -11.183 1.00 0.00 C0 ATOM 893 O ASP A 58 3.579 -7.150 -12.234 1.00 0.00 O0 ATOM 894 CB ASP A 58 2.804 -9.629 -10.315 1.00 0.00 C0 ATOM 895 CG ASP A 58 3.377 -10.694 -9.388 1.00 0.00 C0 ATOM 896 OD1 ASP A 58 4.575 -10.856 -9.371 1.00 0.00 O0 ATOM 897 OD2 ASP A 58 2.613 -11.334 -8.708 1.00 0.00 O1- ATOM 0 H ASP A 58 2.222 -7.999 -8.423 1.00 0.00 H new ATOM 0 HA ASP A 58 4.527 -8.344 -10.193 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.729 -9.553 -10.152 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.948 -9.939 -11.350 1.00 0.00 H new ATOM 902 N ASN A 59 1.831 -6.634 -10.915 1.00 0.00 N0 ATOM 903 CA ASN A 59 1.239 -5.706 -11.871 1.00 0.00 C0 ATOM 904 C ASN A 59 1.882 -4.329 -11.771 1.00 0.00 C0 ATOM 905 O ASN A 59 1.366 -3.439 -11.093 1.00 0.00 O0 ATOM 906 CB ASN A 59 -0.261 -5.611 -11.664 1.00 0.00 C0 ATOM 907 CG ASN A 59 -0.938 -4.773 -12.714 1.00 0.00 C0 ATOM 908 OD1 ASN A 59 -0.273 -4.102 -13.512 1.00 0.00 O0 ATOM 909 ND2 ASN A 59 -2.246 -4.797 -12.728 1.00 0.00 N0 ATOM 0 H ASN A 59 1.312 -6.726 -10.042 1.00 0.00 H new ATOM 0 HA ASN A 59 1.426 -6.092 -12.873 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.689 -6.613 -11.672 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.462 -5.187 -10.680 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.759 -4.247 -13.417 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.753 -5.366 -12.050 1.00 0.00 H new ATOM 916 N LEU A 60 3.011 -4.158 -12.450 1.00 0.00 N0 ATOM 917 CA LEU A 60 3.653 -2.853 -12.553 1.00 0.00 C0 ATOM 918 C LEU A 60 3.428 -2.235 -13.926 1.00 0.00 C0 ATOM 919 O LEU A 60 4.226 -1.420 -14.390 1.00 0.00 O0 ATOM 920 CB LEU A 60 5.157 -2.980 -12.284 1.00 0.00 C0 ATOM 921 CG LEU A 60 5.542 -3.645 -10.956 1.00 0.00 C0 ATOM 922 CD1 LEU A 60 7.059 -3.724 -10.847 1.00 0.00 C0 ATOM 923 CD2 LEU A 60 4.951 -2.852 -9.801 1.00 0.00 C0 ATOM 0 H LEU A 60 3.501 -4.908 -12.938 1.00 0.00 H new ATOM 0 HA LEU A 60 3.204 -2.200 -11.804 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.606 -3.549 -13.098 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.598 -1.983 -12.311 1.00 0.00 H new ATOM 0 HG LEU A 60 5.142 -4.658 -10.917 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.332 -4.196 -9.903 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.453 -4.313 -11.675 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.479 -2.719 -10.884 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.225 -3.325 -8.858 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.339 -1.834 -9.823 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.865 -2.829 -9.894 1.00 0.00 H new ATOM 935 N SER A 61 2.335 -2.627 -14.575 1.00 0.00 N0 ATOM 936 CA SER A 61 2.094 -2.257 -15.964 1.00 0.00 C0 ATOM 937 C SER A 61 1.847 -0.760 -16.100 1.00 0.00 C0 ATOM 938 O SER A 61 2.096 -0.174 -17.154 1.00 0.00 O0 ATOM 939 CB SER A 61 0.907 -3.026 -16.510 1.00 0.00 C0 ATOM 940 OG SER A 61 -0.275 -2.656 -15.856 1.00 0.00 O0 ATOM 0 H SER A 61 1.602 -3.202 -14.159 1.00 0.00 H new ATOM 0 HA SER A 61 2.985 -2.510 -16.539 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.809 -2.839 -17.579 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.075 -4.096 -16.388 1.00 0.00 H new ATOM 0 HG SER A 61 -0.407 -3.228 -15.071 1.00 0.00 H new ATOM 946 N TYR A 62 1.358 -0.146 -15.029 1.00 0.00 N0 ATOM 947 CA TYR A 62 1.141 1.296 -15.004 1.00 0.00 C0 ATOM 948 C TYR A 62 2.338 2.022 -14.404 1.00 0.00 C0 ATOM 949 O TYR A 62 2.715 3.100 -14.863 1.00 0.00 O0 ATOM 950 CB TYR A 62 -0.130 1.633 -14.221 1.00 0.00 C0 ATOM 951 CG TYR A 62 -1.391 1.054 -14.825 1.00 0.00 C0 ATOM 952 CD1 TYR A 62 -2.026 -0.016 -14.212 1.00 0.00 C0 ATOM 953 CD2 TYR A 62 -1.911 1.593 -15.992 1.00 0.00 C0 ATOM 954 CE1 TYR A 62 -3.177 -0.543 -14.764 1.00 0.00 C0 ATOM 955 CE2 TYR A 62 -3.061 1.065 -16.544 1.00 0.00 C0 ATOM 956 CZ TYR A 62 -3.694 0.001 -15.934 1.00 0.00 C0 ATOM 957 OH TYR A 62 -4.841 -0.525 -16.483 1.00 0.00 O0 ATOM 0 H TYR A 62 1.104 -0.625 -14.165 1.00 0.00 H new ATOM 0 HA TYR A 62 1.020 1.634 -16.033 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.025 1.265 -13.200 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.232 2.717 -14.160 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.621 -0.437 -13.304 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.416 2.426 -16.469 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.674 -1.375 -14.288 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.465 1.485 -17.453 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.297 0.164 -17.010 1.00 0.00 H new ATOM 967 N ILE A 63 2.933 1.424 -13.378 1.00 0.00 N0 ATOM 968 CA ILE A 63 4.035 2.053 -12.659 1.00 0.00 C0 ATOM 969 C ILE A 63 5.257 2.214 -13.556 1.00 0.00 C0 ATOM 970 O ILE A 63 5.817 3.305 -13.666 1.00 0.00 O0 ATOM 971 CB ILE A 63 4.418 1.233 -11.413 1.00 0.00 C0 ATOM 972 CG1 ILE A 63 3.295 1.288 -10.374 1.00 0.00 C0 ATOM 973 CG2 ILE A 63 5.722 1.742 -10.820 1.00 0.00 C0 ATOM 974 CD1 ILE A 63 3.430 0.258 -9.275 1.00 0.00 C0 ATOM 0 H ILE A 63 2.671 0.504 -13.025 1.00 0.00 H new ATOM 0 HA ILE A 63 3.696 3.040 -12.346 1.00 0.00 H new ATOM 0 HB ILE A 63 4.561 0.195 -11.712 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.274 2.282 -9.927 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.339 1.145 -10.878 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.977 1.151 -9.940 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.517 1.653 -11.560 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.608 2.788 -10.534 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.598 0.359 -8.578 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.420 -0.741 -9.710 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.369 0.413 -8.744 1.00 0.00 H new ATOM 986 N GLU A 64 5.664 1.123 -14.194 1.00 0.00 N0 ATOM 987 CA GLU A 64 6.814 1.144 -15.090 1.00 0.00 C0 ATOM 988 C GLU A 64 6.570 2.067 -16.277 1.00 0.00 C0 ATOM 989 O GLU A 64 7.482 2.752 -16.741 1.00 0.00 O0 ATOM 990 CB GLU A 64 7.130 -0.268 -15.586 1.00 0.00 C0 ATOM 991 CG GLU A 64 7.665 -1.207 -14.513 1.00 0.00 C0 ATOM 992 CD GLU A 64 7.880 -2.607 -15.015 1.00 0.00 C0 ATOM 993 OE1 GLU A 64 7.510 -2.881 -16.132 1.00 0.00 O0 ATOM 994 OE2 GLU A 64 8.413 -3.404 -14.280 1.00 0.00 O1- ATOM 0 H GLU A 64 5.214 0.212 -14.107 1.00 0.00 H new ATOM 0 HA GLU A 64 7.667 1.525 -14.528 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.225 -0.701 -16.012 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.862 -0.202 -16.391 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.608 -0.815 -14.131 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.967 -1.230 -13.676 1.00 0.00 H new ATOM 1001 N HIS A 65 5.334 2.080 -16.765 1.00 0.00 N0 ATOM 1002 CA HIS A 65 4.970 2.912 -17.906 1.00 0.00 C0 ATOM 1003 C HIS A 65 5.207 4.387 -17.610 1.00 0.00 C0 ATOM 1004 O HIS A 65 5.706 5.128 -18.457 1.00 0.00 O0 ATOM 1005 CB HIS A 65 3.504 2.693 -18.291 1.00 0.00 C0 ATOM 1006 CG HIS A 65 3.077 3.463 -19.500 1.00 0.00 C0 ATOM 1007 ND1 HIS A 65 3.564 3.197 -20.762 1.00 0.00 N0 ATOM 1008 CD2 HIS A 65 2.209 4.493 -19.641 1.00 0.00 C0 ATOM 1009 CE1 HIS A 65 3.013 4.030 -21.628 1.00 0.00 C0 ATOM 1010 NE2 HIS A 65 2.189 4.827 -20.973 1.00 0.00 N0 ATOM 0 H HIS A 65 4.567 1.523 -16.388 1.00 0.00 H new ATOM 0 HA HIS A 65 5.606 2.618 -18.741 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.340 1.631 -18.472 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.871 2.975 -17.450 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.639 4.964 -18.853 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.204 4.054 -22.691 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.628 5.571 -21.389 1.00 0.00 H new ATOM 1018 N ILE A 66 4.847 4.809 -16.402 1.00 0.00 N0 ATOM 1019 CA ILE A 66 5.030 6.195 -15.989 1.00 0.00 C0 ATOM 1020 C ILE A 66 6.492 6.610 -16.085 1.00 0.00 C0 ATOM 1021 O ILE A 66 6.804 7.734 -16.479 1.00 0.00 O0 ATOM 1022 CB ILE A 66 4.529 6.409 -14.549 1.00 0.00 C0 ATOM 1023 CG1 ILE A 66 3.005 6.272 -14.487 1.00 0.00 C0 ATOM 1024 CG2 ILE A 66 4.965 7.770 -14.030 1.00 0.00 C0 ATOM 1025 CD1 ILE A 66 2.457 6.162 -13.083 1.00 0.00 C0 ATOM 0 H ILE A 66 4.426 4.210 -15.692 1.00 0.00 H new ATOM 0 HA ILE A 66 4.444 6.816 -16.667 1.00 0.00 H new ATOM 0 HB ILE A 66 4.970 5.642 -13.912 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.552 7.134 -14.977 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.706 5.390 -15.053 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.602 7.904 -13.011 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.053 7.831 -14.039 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.553 8.552 -14.668 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.372 6.068 -13.122 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.880 5.284 -12.595 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.724 7.055 -12.517 1.00 0.00 H new ATOM 1037 N PHE A 67 7.386 5.697 -15.722 1.00 0.00 N0 ATOM 1038 CA PHE A 67 8.819 5.954 -15.803 1.00 0.00 C0 ATOM 1039 C PHE A 67 9.286 6.017 -17.251 1.00 0.00 C0 ATOM 1040 O PHE A 67 10.229 6.740 -17.578 1.00 0.00 O0 ATOM 1041 CB PHE A 67 9.599 4.868 -15.057 1.00 0.00 C0 ATOM 1042 CG PHE A 67 9.484 4.958 -13.563 1.00 0.00 C0 ATOM 1043 CD1 PHE A 67 8.643 4.104 -12.865 1.00 0.00 C0 ATOM 1044 CD2 PHE A 67 10.216 5.897 -12.851 1.00 0.00 C0 ATOM 1045 CE1 PHE A 67 8.536 4.186 -11.490 1.00 0.00 C0 ATOM 1046 CE2 PHE A 67 10.113 5.980 -11.476 1.00 0.00 C0 ATOM 1047 CZ PHE A 67 9.271 5.124 -10.795 1.00 0.00 C0 ATOM 0 H PHE A 67 7.143 4.772 -15.368 1.00 0.00 H new ATOM 0 HA PHE A 67 9.010 6.920 -15.336 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.243 3.890 -15.381 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.651 4.933 -15.336 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.065 3.367 -13.402 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.874 6.571 -13.378 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.877 3.515 -10.959 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.691 6.714 -10.934 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.188 5.188 -9.720 1.00 0.00 H new ATOM 1057 N GLU A 68 8.623 5.258 -18.117 1.00 0.00 N0 ATOM 1058 CA GLU A 68 8.911 5.294 -19.545 1.00 0.00 C0 ATOM 1059 C GLU A 68 8.527 6.637 -20.151 1.00 0.00 C0 ATOM 1060 O GLU A 68 9.240 7.172 -21.000 1.00 0.00 O0 ATOM 1061 CB GLU A 68 8.170 4.166 -20.267 1.00 0.00 C0 ATOM 1062 CG GLU A 68 8.681 2.769 -19.944 1.00 0.00 C0 ATOM 1063 CD GLU A 68 7.844 1.683 -20.559 1.00 0.00 C0 ATOM 1064 OE1 GLU A 68 6.742 1.965 -20.964 1.00 0.00 O0 ATOM 1065 OE2 GLU A 68 8.306 0.568 -20.624 1.00 0.00 O1- ATOM 0 H GLU A 68 7.881 4.609 -17.854 1.00 0.00 H new ATOM 0 HA GLU A 68 9.985 5.156 -19.672 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.112 4.221 -20.011 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.246 4.328 -21.342 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.708 2.673 -20.297 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.702 2.636 -18.862 1.00 0.00 H new ATOM 1072 N ILE A 69 7.395 7.177 -19.712 1.00 0.00 N0 ATOM 1073 CA ILE A 69 6.908 8.453 -20.220 1.00 0.00 C0 ATOM 1074 C ILE A 69 7.673 9.619 -19.607 1.00 0.00 C0 ATOM 1075 O ILE A 69 8.025 10.575 -20.299 1.00 0.00 O0 ATOM 1076 CB ILE A 69 5.404 8.620 -19.935 1.00 0.00 C0 ATOM 1077 CG1 ILE A 69 4.600 7.534 -20.656 1.00 0.00 C0 ATOM 1078 CG2 ILE A 69 4.932 10.003 -20.355 1.00 0.00 C0 ATOM 1079 CD1 ILE A 69 4.784 7.533 -22.156 1.00 0.00 C0 ATOM 0 H ILE A 69 6.797 6.750 -19.005 1.00 0.00 H new ATOM 0 HA ILE A 69 7.070 8.455 -21.298 1.00 0.00 H new ATOM 0 HB ILE A 69 5.241 8.514 -18.862 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.890 6.559 -20.263 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.542 7.667 -20.429 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.867 10.103 -20.146 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.484 10.760 -19.798 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.107 10.139 -21.422 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.184 6.737 -22.596 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.466 8.493 -22.562 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.835 7.368 -22.394 1.00 0.00 H new ATOM 1091 N SER A 70 7.928 9.535 -18.306 1.00 0.00 N0 ATOM 1092 CA SER A 70 8.676 10.570 -17.603 1.00 0.00 C0 ATOM 1093 C SER A 70 10.167 10.471 -17.902 1.00 0.00 C0 ATOM 1094 O SER A 70 10.931 11.391 -17.608 1.00 0.00 O0 ATOM 1095 CB SER A 70 8.442 10.459 -16.109 1.00 0.00 C0 ATOM 1096 OG SER A 70 8.998 9.278 -15.600 1.00 0.00 O0 ATOM 0 H SER A 70 7.627 8.759 -17.716 1.00 0.00 H new ATOM 0 HA SER A 70 8.321 11.539 -17.954 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.881 11.319 -15.604 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.372 10.480 -15.902 1.00 0.00 H new ATOM 0 HG SER A 70 9.861 9.477 -15.180 1.00 0.00 H new ATOM 1102 N ARG A 71 10.574 9.351 -18.488 1.00 0.00 N0 ATOM 1103 CA ARG A 71 11.947 9.183 -18.950 1.00 0.00 C0 ATOM 1104 C ARG A 71 12.932 9.257 -17.790 1.00 0.00 C0 ATOM 1105 O ARG A 71 13.870 10.053 -17.810 1.00 0.00 O0 ATOM 1106 CB ARG A 71 12.299 10.248 -19.979 1.00 0.00 C0 ATOM 1107 CG ARG A 71 11.434 10.240 -21.229 1.00 0.00 C0 ATOM 1108 CD ARG A 71 11.733 11.397 -22.111 1.00 0.00 C0 ATOM 1109 NE ARG A 71 11.459 12.665 -21.455 1.00 0.00 N0 ATOM 1110 CZ ARG A 71 10.233 13.209 -21.327 1.00 0.00 C0 ATOM 1111 NH1 ARG A 71 9.182 12.586 -21.812 1.00 0.00 N1+ ATOM 1112 NH2 ARG A 71 10.087 14.370 -20.711 1.00 0.00 N0 ATOM 0 H ARG A 71 9.972 8.545 -18.655 1.00 0.00 H new ATOM 0 HA ARG A 71 12.020 8.197 -19.409 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.222 11.228 -19.508 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.340 10.117 -20.274 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.596 9.312 -21.778 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.382 10.262 -20.944 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.780 11.363 -22.412 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.137 11.323 -23.021 1.00 0.00 H new ATOM 0 HE ARG A 71 12.249 13.178 -21.065 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.294 11.690 -22.286 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.254 12.999 -21.714 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.902 14.853 -20.333 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.159 14.783 -20.614 1.00 0.00 H new ATOM 1126 N ARG A 72 12.711 8.423 -16.780 1.00 0.00 N0 ATOM 1127 CA ARG A 72 13.608 8.356 -15.633 1.00 0.00 C0 ATOM 1128 C ARG A 72 13.991 6.915 -15.317 1.00 0.00 C0 ATOM 1129 O ARG A 72 13.472 6.316 -14.375 1.00 0.00 O0 ATOM 1130 CB ARG A 72 12.960 8.984 -14.409 1.00 0.00 C0 ATOM 1131 CG ARG A 72 12.714 10.481 -14.513 1.00 0.00 C0 ATOM 1132 CD ARG A 72 13.987 11.247 -14.521 1.00 0.00 C0 ATOM 1133 NE ARG A 72 13.756 12.682 -14.560 1.00 0.00 N0 ATOM 1134 CZ ARG A 72 13.630 13.407 -15.688 1.00 0.00 C0 ATOM 1135 NH1 ARG A 72 13.716 12.818 -16.860 1.00 0.00 N1+ ATOM 1136 NH2 ARG A 72 13.421 14.710 -15.617 1.00 0.00 N0 ATOM 0 H ARG A 72 11.918 7.784 -16.733 1.00 0.00 H new ATOM 0 HA ARG A 72 14.510 8.911 -15.890 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.008 8.486 -14.224 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.593 8.794 -13.542 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.154 10.696 -15.423 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.098 10.808 -13.675 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.567 10.997 -13.633 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.583 10.952 -15.384 1.00 0.00 H new ATOM 0 HE ARG A 72 13.684 13.175 -13.670 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.878 11.812 -16.915 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.621 13.367 -17.715 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.355 15.167 -14.708 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.326 15.259 -16.472 1.00 0.00 H new ATOM 1150 N PRO A 73 14.904 6.364 -16.110 1.00 0.00 N0 ATOM 1151 CA PRO A 73 15.334 4.981 -15.937 1.00 0.00 C0 ATOM 1152 C PRO A 73 16.203 4.825 -14.696 1.00 0.00 C0 ATOM 1153 O PRO A 73 16.428 3.712 -14.220 1.00 0.00 O0 ATOM 1154 CB PRO A 73 16.125 4.705 -17.219 1.00 0.00 C0 ATOM 1155 CG PRO A 73 16.635 6.044 -17.631 1.00 0.00 C0 ATOM 1156 CD PRO A 73 15.516 6.990 -17.291 1.00 0.00 C0 ATOM 0 HA PRO A 73 14.507 4.286 -15.790 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.942 4.006 -17.040 1.00 0.00 H new ATOM 0 HB3 PRO A 73 15.492 4.265 -17.990 1.00 0.00 H new ATOM 0 HG2 PRO A 73 17.550 6.302 -17.098 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.868 6.070 -18.695 1.00 0.00 H new ATOM 0 HD2 PRO A 73 15.886 7.991 -17.071 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.805 7.086 -18.111 1.00 0.00 H new ATOM 1164 N ASP A 74 16.689 5.947 -14.174 1.00 0.00 N0 ATOM 1165 CA ASP A 74 17.472 5.943 -12.945 1.00 0.00 C0 ATOM 1166 C ASP A 74 16.631 5.495 -11.757 1.00 0.00 C0 ATOM 1167 O ASP A 74 17.155 4.963 -10.779 1.00 0.00 O0 ATOM 1168 CB ASP A 74 18.049 7.335 -12.673 1.00 0.00 C0 ATOM 1169 CG ASP A 74 19.158 7.717 -13.644 1.00 0.00 C0 ATOM 1170 OD1 ASP A 74 19.660 6.846 -14.314 1.00 0.00 O0 ATOM 1171 OD2 ASP A 74 19.493 8.876 -13.706 1.00 0.00 O1- ATOM 0 H ASP A 74 16.554 6.871 -14.584 1.00 0.00 H new ATOM 0 HA ASP A 74 18.290 5.234 -13.076 1.00 0.00 H new ATOM 0 HB2 ASP A 74 17.249 8.073 -12.735 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.437 7.369 -11.655 1.00 0.00 H new ATOM 1176 N LEU A 75 15.324 5.713 -11.848 1.00 0.00 N0 ATOM 1177 CA LEU A 75 14.401 5.288 -10.802 1.00 0.00 C0 ATOM 1178 C LEU A 75 13.698 3.991 -11.182 1.00 0.00 C0 ATOM 1179 O LEU A 75 13.374 3.174 -10.321 1.00 0.00 O0 ATOM 1180 CB LEU A 75 13.361 6.382 -10.536 1.00 0.00 C0 ATOM 1181 CG LEU A 75 13.921 7.738 -10.087 1.00 0.00 C0 ATOM 1182 CD1 LEU A 75 12.776 8.726 -9.905 1.00 0.00 C0 ATOM 1183 CD2 LEU A 75 14.703 7.562 -8.794 1.00 0.00 C0 ATOM 0 H LEU A 75 14.879 6.182 -12.637 1.00 0.00 H new ATOM 0 HA LEU A 75 14.980 5.112 -9.896 1.00 0.00 H new ATOM 0 HB2 LEU A 75 12.779 6.533 -11.445 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.671 6.024 -9.772 1.00 0.00 H new ATOM 0 HG LEU A 75 14.597 8.132 -10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.174 9.689 -9.586 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.246 8.847 -10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.087 8.350 -9.149 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.101 8.526 -8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.044 7.168 -8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.526 6.866 -8.958 1.00 0.00 H new ATOM 1195 N LEU A 76 13.464 3.809 -12.478 1.00 0.00 N0 ATOM 1196 CA LEU A 76 12.898 2.564 -12.986 1.00 0.00 C0 ATOM 1197 C LEU A 76 13.794 1.377 -12.655 1.00 0.00 C0 ATOM 1198 O LEU A 76 13.309 0.293 -12.334 1.00 0.00 O0 ATOM 1199 CB LEU A 76 12.699 2.655 -14.504 1.00 0.00 C0 ATOM 1200 CG LEU A 76 12.028 1.441 -15.160 1.00 0.00 C0 ATOM 1201 CD1 LEU A 76 10.658 1.217 -14.534 1.00 0.00 C0 ATOM 1202 CD2 LEU A 76 11.913 1.673 -16.659 1.00 0.00 C0 ATOM 0 H LEU A 76 13.658 4.508 -13.195 1.00 0.00 H new ATOM 0 HA LEU A 76 11.933 2.412 -12.502 1.00 0.00 H new ATOM 0 HB2 LEU A 76 12.100 3.540 -14.721 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.672 2.806 -14.971 1.00 0.00 H new ATOM 0 HG LEU A 76 12.631 0.548 -14.995 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.182 0.355 -15.000 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.772 1.035 -13.465 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.039 2.101 -14.688 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.436 0.811 -17.125 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.313 2.564 -16.844 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.908 1.811 -17.083 1.00 0.00 H new ATOM 1214 N THR A 77 15.103 1.589 -12.736 1.00 0.00 N0 ATOM 1215 CA THR A 77 16.070 0.572 -12.339 1.00 0.00 C0 ATOM 1216 C THR A 77 15.743 0.010 -10.962 1.00 0.00 C0 ATOM 1217 O THR A 77 15.775 -1.202 -10.752 1.00 0.00 O0 ATOM 1218 CB THR A 77 17.502 1.139 -12.340 1.00 0.00 C0 ATOM 1219 OG1 THR A 77 17.850 1.562 -13.665 1.00 0.00 O0 ATOM 1220 CG2 THR A 77 18.492 0.085 -11.871 1.00 0.00 C0 ATOM 0 H THR A 77 15.519 2.457 -13.073 1.00 0.00 H new ATOM 0 HA THR A 77 16.010 -0.234 -13.070 1.00 0.00 H new ATOM 0 HB THR A 77 17.542 1.989 -11.658 1.00 0.00 H new ATOM 0 HG1 THR A 77 17.598 2.502 -13.785 1.00 0.00 H new ATOM 0 HG21 THR A 77 19.499 0.503 -11.878 1.00 0.00 H new ATOM 0 HG22 THR A 77 18.237 -0.229 -10.859 1.00 0.00 H new ATOM 0 HG23 THR A 77 18.452 -0.775 -12.539 1.00 0.00 H new ATOM 1228 N MET A 78 15.429 0.899 -10.025 1.00 0.00 N0 ATOM 1229 CA MET A 78 15.057 0.490 -8.676 1.00 0.00 C0 ATOM 1230 C MET A 78 13.756 -0.303 -8.679 1.00 0.00 C0 ATOM 1231 O MET A 78 13.617 -1.288 -7.954 1.00 0.00 O0 ATOM 1232 CB MET A 78 14.934 1.713 -7.769 1.00 0.00 C0 ATOM 1233 CG MET A 78 16.253 2.413 -7.474 1.00 0.00 C0 ATOM 1234 SD MET A 78 16.041 3.909 -6.487 1.00 0.00 S0 ATOM 1235 CE MET A 78 15.550 3.209 -4.914 1.00 0.00 C0 ATOM 0 H MET A 78 15.425 1.908 -10.176 1.00 0.00 H new ATOM 0 HA MET A 78 15.843 -0.159 -8.290 1.00 0.00 H new ATOM 0 HB2 MET A 78 14.254 2.427 -8.233 1.00 0.00 H new ATOM 0 HB3 MET A 78 14.481 1.407 -6.826 1.00 0.00 H new ATOM 0 HG2 MET A 78 16.915 1.726 -6.947 1.00 0.00 H new ATOM 0 HG3 MET A 78 16.742 2.669 -8.414 1.00 0.00 H new ATOM 0 HE1 MET A 78 15.605 3.976 -4.141 1.00 0.00 H new ATOM 0 HE2 MET A 78 14.528 2.837 -4.984 1.00 0.00 H new ATOM 0 HE3 MET A 78 16.218 2.387 -4.657 1.00 0.00 H new ATOM 1245 N VAL A 79 12.806 0.133 -9.499 1.00 0.00 N0 ATOM 1246 CA VAL A 79 11.546 -0.583 -9.660 1.00 0.00 C0 ATOM 1247 C VAL A 79 11.780 -2.010 -10.140 1.00 0.00 C0 ATOM 1248 O VAL A 79 11.144 -2.948 -9.660 1.00 0.00 O0 ATOM 1249 CB VAL A 79 10.639 0.150 -10.666 1.00 0.00 C0 ATOM 1250 CG1 VAL A 79 9.429 -0.703 -11.013 1.00 0.00 C0 ATOM 1251 CG2 VAL A 79 10.207 1.491 -10.091 1.00 0.00 C0 ATOM 0 H VAL A 79 12.885 0.979 -10.063 1.00 0.00 H new ATOM 0 HA VAL A 79 11.059 -0.618 -8.686 1.00 0.00 H new ATOM 0 HB VAL A 79 11.200 0.328 -11.584 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.800 -0.169 -11.725 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.761 -1.642 -11.455 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.858 -0.910 -10.108 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.566 2.004 -10.807 1.00 0.00 H new ATOM 0 HG22 VAL A 79 9.658 1.329 -9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.087 2.101 -9.890 1.00 0.00 H new ATOM 1261 N VAL A 80 12.698 -2.167 -11.087 1.00 0.00 N0 ATOM 1262 CA VAL A 80 13.059 -3.486 -11.593 1.00 0.00 C0 ATOM 1263 C VAL A 80 13.668 -4.349 -10.496 1.00 0.00 C0 ATOM 1264 O VAL A 80 13.364 -5.537 -10.386 1.00 0.00 O0 ATOM 1265 CB VAL A 80 14.061 -3.357 -12.756 1.00 0.00 C0 ATOM 1266 CG1 VAL A 80 14.599 -4.723 -13.150 1.00 0.00 C0 ATOM 1267 CG2 VAL A 80 13.393 -2.677 -13.942 1.00 0.00 C0 ATOM 0 H VAL A 80 13.206 -1.396 -11.520 1.00 0.00 H new ATOM 0 HA VAL A 80 12.147 -3.965 -11.948 1.00 0.00 H new ATOM 0 HB VAL A 80 14.902 -2.745 -12.432 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.305 -4.612 -13.973 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.104 -5.175 -12.296 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.774 -5.362 -13.464 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.107 -2.589 -14.761 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.539 -3.270 -14.268 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.054 -1.684 -13.648 1.00 0.00 H new ATOM 1277 N ASP A 81 14.530 -3.745 -9.685 1.00 0.00 N0 ATOM 1278 CA ASP A 81 15.115 -4.432 -8.540 1.00 0.00 C0 ATOM 1279 C ASP A 81 14.044 -4.844 -7.538 1.00 0.00 C0 ATOM 1280 O ASP A 81 14.098 -5.936 -6.972 1.00 0.00 O0 ATOM 1281 CB ASP A 81 16.149 -3.539 -7.850 1.00 0.00 C0 ATOM 1282 CG ASP A 81 17.434 -3.389 -8.656 1.00 0.00 C0 ATOM 1283 OD1 ASP A 81 17.640 -4.164 -9.558 1.00 0.00 O0 ATOM 1284 OD2 ASP A 81 18.195 -2.499 -8.359 1.00 0.00 O1- ATOM 0 H ASP A 81 14.839 -2.780 -9.800 1.00 0.00 H new ATOM 0 HA ASP A 81 15.607 -5.331 -8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 81 15.715 -2.554 -7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.386 -3.956 -6.871 1.00 0.00 H new ATOM 1289 N TYR A 82 13.070 -3.965 -7.325 1.00 0.00 N0 ATOM 1290 CA TYR A 82 11.953 -4.259 -6.436 1.00 0.00 C0 ATOM 1291 C TYR A 82 11.039 -5.322 -7.032 1.00 0.00 C0 ATOM 1292 O TYR A 82 10.473 -6.143 -6.310 1.00 0.00 O0 ATOM 1293 CB TYR A 82 11.160 -2.986 -6.134 1.00 0.00 C0 ATOM 1294 CG TYR A 82 11.886 -2.015 -5.230 1.00 0.00 C0 ATOM 1295 CD1 TYR A 82 11.903 -0.661 -5.538 1.00 0.00 C0 ATOM 1296 CD2 TYR A 82 12.533 -2.476 -4.093 1.00 0.00 C0 ATOM 1297 CE1 TYR A 82 12.566 0.226 -4.713 1.00 0.00 C0 ATOM 1298 CE2 TYR A 82 13.196 -1.588 -3.269 1.00 0.00 C0 ATOM 1299 CZ TYR A 82 13.214 -0.242 -3.575 1.00 0.00 C0 ATOM 1300 OH TYR A 82 13.874 0.642 -2.753 1.00 0.00 O0 ATOM 0 H TYR A 82 13.032 -3.042 -7.757 1.00 0.00 H new ATOM 0 HA TYR A 82 12.361 -4.649 -5.504 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.922 -2.486 -7.073 1.00 0.00 H new ATOM 0 HB3 TYR A 82 10.212 -3.261 -5.670 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.398 -0.302 -6.422 1.00 0.00 H new ATOM 0 HD2 TYR A 82 12.518 -3.529 -3.852 1.00 0.00 H new ATOM 0 HE1 TYR A 82 12.581 1.279 -4.951 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.701 -1.947 -2.384 1.00 0.00 H new ATOM 0 HH TYR A 82 14.272 0.155 -2.002 1.00 0.00 H new ATOM 1310 N ARG A 83 10.900 -5.302 -8.353 1.00 0.00 N0 ATOM 1311 CA ARG A 83 10.149 -6.333 -9.060 1.00 0.00 C0 ATOM 1312 C ARG A 83 10.771 -7.708 -8.851 1.00 0.00 C0 ATOM 1313 O ARG A 83 10.067 -8.686 -8.600 1.00 0.00 O0 ATOM 1314 CB ARG A 83 10.092 -6.027 -10.550 1.00 0.00 C0 ATOM 1315 CG ARG A 83 9.291 -7.020 -11.377 1.00 0.00 C0 ATOM 1316 CD ARG A 83 9.133 -6.563 -12.781 1.00 0.00 C0 ATOM 1317 NE ARG A 83 8.469 -7.561 -13.604 1.00 0.00 N0 ATOM 1318 CZ ARG A 83 7.953 -7.325 -14.825 1.00 0.00 C0 ATOM 1319 NH1 ARG A 83 8.032 -6.123 -15.352 1.00 0.00 N1+ ATOM 1320 NH2 ARG A 83 7.366 -8.302 -15.495 1.00 0.00 N0 ATOM 0 H ARG A 83 11.298 -4.582 -8.956 1.00 0.00 H new ATOM 0 HA ARG A 83 9.138 -6.339 -8.653 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.664 -5.034 -10.686 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.110 -5.991 -10.938 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.788 -7.990 -11.364 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.308 -7.160 -10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.558 -5.637 -12.799 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.113 -6.338 -13.202 1.00 0.00 H new ATOM 0 HE ARG A 83 8.388 -8.507 -13.230 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.484 -5.369 -14.836 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.641 -5.945 -16.277 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.304 -9.235 -15.087 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.975 -8.123 -16.420 1.00 0.00 H new ATOM 1334 N THR A 84 12.094 -7.777 -8.956 1.00 0.00 N0 ATOM 1335 CA THR A 84 12.822 -9.005 -8.669 1.00 0.00 C0 ATOM 1336 C THR A 84 12.690 -9.394 -7.201 1.00 0.00 C0 ATOM 1337 O THR A 84 12.537 -10.569 -6.872 1.00 0.00 O0 ATOM 1338 CB THR A 84 14.311 -8.866 -9.035 1.00 0.00 C0 ATOM 1339 OG1 THR A 84 14.437 -8.598 -10.437 1.00 0.00 O0 ATOM 1340 CG2 THR A 84 15.066 -10.143 -8.696 1.00 0.00 C0 ATOM 0 H THR A 84 12.684 -6.994 -9.238 1.00 0.00 H new ATOM 0 HA THR A 84 12.381 -9.791 -9.281 1.00 0.00 H new ATOM 0 HB THR A 84 14.736 -8.043 -8.461 1.00 0.00 H new ATOM 0 HG1 THR A 84 14.160 -7.676 -10.620 1.00 0.00 H new ATOM 0 HG21 THR A 84 16.117 -10.026 -8.962 1.00 0.00 H new ATOM 0 HG22 THR A 84 14.982 -10.343 -7.628 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.641 -10.976 -9.255 1.00 0.00 H new ATOM 1348 N ARG A 85 12.752 -8.398 -6.324 1.00 0.00 N0 ATOM 1349 CA ARG A 85 12.603 -8.629 -4.892 1.00 0.00 C0 ATOM 1350 C ARG A 85 11.317 -9.384 -4.586 1.00 0.00 C0 ATOM 1351 O ARG A 85 11.346 -10.465 -3.998 1.00 0.00 O0 ATOM 1352 CB ARG A 85 12.605 -7.309 -4.133 1.00 0.00 C0 ATOM 1353 CG ARG A 85 12.467 -7.438 -2.625 1.00 0.00 C0 ATOM 1354 CD ARG A 85 12.487 -6.112 -1.956 1.00 0.00 C0 ATOM 1355 NE ARG A 85 12.316 -6.228 -0.518 1.00 0.00 N0 ATOM 1356 CZ ARG A 85 12.245 -5.183 0.331 1.00 0.00 C0 ATOM 1357 NH1 ARG A 85 12.330 -3.955 -0.129 1.00 0.00 N1+ ATOM 1358 NH2 ARG A 85 12.089 -5.393 1.626 1.00 0.00 N0 ATOM 0 H ARG A 85 12.904 -7.422 -6.580 1.00 0.00 H new ATOM 0 HA ARG A 85 13.450 -9.234 -4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.532 -6.781 -4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.789 -6.691 -4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.535 -7.951 -2.387 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.278 -8.054 -2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.431 -5.612 -2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.695 -5.486 -2.367 1.00 0.00 H new ATOM 0 HE ARG A 85 12.245 -7.166 -0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.450 -3.792 -1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.276 -3.165 0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.022 -6.346 1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.035 -4.602 2.268 1.00 0.00 H new ATOM 1372 N VAL A 86 10.189 -8.809 -4.990 1.00 0.00 N0 ATOM 1373 CA VAL A 86 8.884 -9.380 -4.678 1.00 0.00 C0 ATOM 1374 C VAL A 86 8.644 -10.665 -5.458 1.00 0.00 C0 ATOM 1375 O VAL A 86 7.862 -11.520 -5.039 1.00 0.00 O0 ATOM 1376 CB VAL A 86 7.768 -8.369 -5.002 1.00 0.00 C0 ATOM 1377 CG1 VAL A 86 7.955 -7.092 -4.196 1.00 0.00 C0 ATOM 1378 CG2 VAL A 86 7.757 -8.070 -6.493 1.00 0.00 C0 ATOM 0 H VAL A 86 10.152 -7.947 -5.535 1.00 0.00 H new ATOM 0 HA VAL A 86 8.870 -9.612 -3.613 1.00 0.00 H new ATOM 0 HB VAL A 86 6.807 -8.803 -4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.158 -6.389 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.923 -7.325 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.919 -6.645 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.965 -7.354 -6.715 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.719 -7.650 -6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.579 -8.991 -7.048 1.00 0.00 H new ATOM 1388 N LEU A 87 9.320 -10.797 -6.594 1.00 0.00 N0 ATOM 1389 CA LEU A 87 9.303 -12.040 -7.356 1.00 0.00 C0 ATOM 1390 C LEU A 87 9.915 -13.184 -6.558 1.00 0.00 C0 ATOM 1391 O LEU A 87 9.347 -14.273 -6.480 1.00 0.00 O0 ATOM 1392 CB LEU A 87 10.065 -11.863 -8.675 1.00 0.00 C0 ATOM 1393 CG LEU A 87 10.173 -13.115 -9.555 1.00 0.00 C0 ATOM 1394 CD1 LEU A 87 8.778 -13.579 -9.950 1.00 0.00 C0 ATOM 1395 CD2 LEU A 87 11.014 -12.803 -10.783 1.00 0.00 C0 ATOM 0 H LEU A 87 9.887 -10.057 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 87 8.263 -12.288 -7.569 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.578 -11.077 -9.252 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.072 -11.514 -8.447 1.00 0.00 H new ATOM 0 HG LEU A 87 10.659 -13.918 -9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.854 -14.469 -10.575 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.205 -13.814 -9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.275 -12.787 -10.505 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.090 -13.693 -11.408 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.544 -12.000 -11.351 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.011 -12.492 -10.472 1.00 0.00 H new ATOM 1407 N LYS A 88 11.077 -12.930 -5.966 1.00 0.00 N0 ATOM 1408 CA LYS A 88 11.754 -13.929 -5.148 1.00 0.00 C0 ATOM 1409 C LYS A 88 10.969 -14.225 -3.877 1.00 0.00 C0 ATOM 1410 O LYS A 88 10.945 -15.360 -3.401 1.00 0.00 O0 ATOM 1411 CB LYS A 88 13.168 -13.463 -4.796 1.00 0.00 C0 ATOM 1412 CG LYS A 88 14.143 -13.469 -5.966 1.00 0.00 C0 ATOM 1413 CD LYS A 88 15.524 -12.997 -5.538 1.00 0.00 C0 ATOM 1414 CE LYS A 88 16.520 -13.083 -6.684 1.00 0.00 C0 ATOM 1415 NZ LYS A 88 17.869 -12.595 -6.288 1.00 0.00 N1+ ATOM 0 H LYS A 88 11.570 -12.040 -6.038 1.00 0.00 H new ATOM 0 HA LYS A 88 11.818 -14.848 -5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.114 -12.453 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.562 -14.103 -4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.212 -14.475 -6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.766 -12.824 -6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.464 -11.968 -5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.875 -13.603 -4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.594 -14.116 -7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.155 -12.496 -7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.517 -12.671 -7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.804 -11.601 -5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 18.229 -13.171 -5.501 1.00 0.00 H new ATOM 1429 N ILE A 89 10.326 -13.198 -3.333 1.00 0.00 N0 ATOM 1430 CA ILE A 89 9.504 -13.354 -2.139 1.00 0.00 C0 ATOM 1431 C ILE A 89 8.289 -14.229 -2.417 1.00 0.00 C0 ATOM 1432 O ILE A 89 7.973 -15.133 -1.643 1.00 0.00 O0 ATOM 1433 CB ILE A 89 9.041 -11.986 -1.608 1.00 0.00 C0 ATOM 1434 CG1 ILE A 89 10.231 -11.193 -1.063 1.00 0.00 C0 ATOM 1435 CG2 ILE A 89 7.980 -12.164 -0.532 1.00 0.00 C0 ATOM 1436 CD1 ILE A 89 9.921 -9.740 -0.782 1.00 0.00 C0 ATOM 0 H ILE A 89 10.358 -12.247 -3.701 1.00 0.00 H new ATOM 0 HA ILE A 89 10.120 -13.840 -1.383 1.00 0.00 H new ATOM 0 HB ILE A 89 8.603 -11.425 -2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 89 10.579 -11.665 -0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.051 -11.248 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 89 7.664 -11.187 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.122 -12.690 -0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.393 -12.743 0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 89 10.813 -9.245 -0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 89 9.602 -9.251 -1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 89 9.124 -9.675 -0.042 1.00 0.00 H new ATOM 1448 N SER A 90 7.611 -13.957 -3.527 1.00 0.00 N0 ATOM 1449 CA SER A 90 6.425 -14.716 -3.906 1.00 0.00 C0 ATOM 1450 C SER A 90 6.766 -16.178 -4.162 1.00 0.00 C0 ATOM 1451 O SER A 90 6.894 -16.935 -3.239 1.00 0.00 O0 ATOM 1452 CB SER A 90 5.793 -14.111 -5.145 1.00 0.00 C0 ATOM 1453 OG SER A 90 4.700 -14.875 -5.574 1.00 0.00 O0 ATOM 0 H SER A 90 7.863 -13.216 -4.181 1.00 0.00 H new ATOM 0 HA SER A 90 5.717 -14.670 -3.079 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.468 -13.093 -4.932 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.534 -14.049 -5.942 1.00 0.00 H new ATOM 0 HG SER A 90 4.308 -14.465 -6.373 1.00 0.00 H new TER 1459 SER A 90