USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 596 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 Single : A 1 HIS : no HD1:sc= -0.0821 X(o=-0.082,f=0) USER MOD Single : A 1 HIS N :NH3+ 151:sc= -0.107 (180deg=-0.366) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -70:sc= 0.0558 USER MOD Single : A 9 TYR OH : rot 41:sc= 0.27 USER MOD Single : A 10 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.26) USER MOD Single : A 17 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00397 USER MOD Single : A 20 GLN :FLIP amide:sc= -1.05 F(o=-2.8,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= -0.0287 (180deg=-0.309) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.17 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.17) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS :FLIP no HE2:sc= -0.932 F(o=-1.6,f=-0.93) USER MOD Single : A 38 THR OG1 : rot -40:sc= 0.12 USER MOD Single : A 39 ASN : amide:sc= -3.65! C(o=-3.6!,f=-6.2!) USER MOD Single : A 40 LYS NZ :NH3+ -158:sc=-0.00575 (180deg=-0.159) USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0507) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0331 USER MOD Single : A 60 SER OG : rot -6:sc= 0.192! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.695 X(o=-0.69,f=-0.4) USER MOD Single : A 68 TYR OH : rot 30:sc= -0.685 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -6.900 1.615 3.661 1.00 24.35 N ATOM 2 CA HIS A 1 -5.521 1.270 3.989 1.00 63.43 C ATOM 3 C HIS A 1 -5.145 -0.085 3.397 1.00 62.52 C ATOM 4 O HIS A 1 -4.301 -0.798 3.940 1.00 71.01 O ATOM 5 CB HIS A 1 -5.324 1.249 5.505 1.00 42.32 C ATOM 6 CG HIS A 1 -5.129 2.609 6.102 1.00 63.03 C ATOM 7 ND1 HIS A 1 -4.022 2.950 6.850 1.00 13.54 N ATOM 8 CD2 HIS A 1 -5.906 3.716 6.055 1.00 11.04 C ATOM 9 CE1 HIS A 1 -4.128 4.208 7.240 1.00 14.23 C ATOM 10 NE2 HIS A 1 -5.263 4.696 6.771 1.00 65.24 N ATOM 0 H1 HIS A 1 -7.294 2.220 4.410 1.00 24.35 H new ATOM 0 H2 HIS A 1 -6.924 2.125 2.755 1.00 24.35 H new ATOM 0 H3 HIS A 1 -7.466 0.746 3.584 1.00 24.35 H new ATOM 0 HA HIS A 1 -4.870 2.030 3.556 1.00 63.43 H new ATOM 0 HB2 HIS A 1 -6.190 0.778 5.969 1.00 42.32 H new ATOM 0 HB3 HIS A 1 -4.459 0.629 5.742 1.00 42.32 H new ATOM 0 HD2 HIS A 1 -6.855 3.811 5.549 1.00 11.04 H new ATOM 0 HE1 HIS A 1 -3.409 4.746 7.840 1.00 14.23 H new ATOM 0 HE2 HIS A 1 -5.606 5.646 6.917 1.00 65.24 H new ATOM 18 N MET A 2 -5.777 -0.435 2.281 1.00 12.53 N ATOM 19 CA MET A 2 -5.508 -1.704 1.616 1.00 32.10 C ATOM 20 C MET A 2 -5.468 -1.527 0.102 1.00 51.55 C ATOM 21 O MET A 2 -6.289 -0.808 -0.471 1.00 64.55 O ATOM 22 CB MET A 2 -6.572 -2.737 1.992 1.00 13.11 C ATOM 23 CG MET A 2 -6.318 -3.412 3.330 1.00 63.31 C ATOM 24 SD MET A 2 -6.974 -5.090 3.397 1.00 61.52 S ATOM 25 CE MET A 2 -7.252 -5.275 5.156 1.00 31.35 C ATOM 0 H MET A 2 -6.479 0.143 1.819 1.00 12.53 H new ATOM 0 HA MET A 2 -4.533 -2.060 1.948 1.00 32.10 H new ATOM 0 HB2 MET A 2 -7.546 -2.249 2.020 1.00 13.11 H new ATOM 0 HB3 MET A 2 -6.619 -3.498 1.213 1.00 13.11 H new ATOM 0 HG2 MET A 2 -5.245 -3.438 3.522 1.00 63.31 H new ATOM 0 HG3 MET A 2 -6.770 -2.817 4.124 1.00 63.31 H new ATOM 0 HE1 MET A 2 -7.658 -6.266 5.358 1.00 31.35 H new ATOM 0 HE2 MET A 2 -6.308 -5.155 5.688 1.00 31.35 H new ATOM 0 HE3 MET A 2 -7.959 -4.517 5.494 1.00 31.35 H new ATOM 35 N LEU A 3 -4.509 -2.184 -0.541 1.00 54.04 N ATOM 36 CA LEU A 3 -4.362 -2.098 -1.990 1.00 73.43 C ATOM 37 C LEU A 3 -5.611 -2.617 -2.696 1.00 32.00 C ATOM 38 O LEU A 3 -6.260 -3.550 -2.225 1.00 31.34 O ATOM 39 CB LEU A 3 -3.138 -2.894 -2.446 1.00 43.32 C ATOM 40 CG LEU A 3 -3.328 -4.406 -2.572 1.00 50.42 C ATOM 41 CD1 LEU A 3 -2.102 -5.047 -3.203 1.00 22.34 C ATOM 42 CD2 LEU A 3 -3.615 -5.022 -1.211 1.00 23.41 C ATOM 0 H LEU A 3 -3.822 -2.782 -0.082 1.00 54.04 H new ATOM 0 HA LEU A 3 -4.226 -1.049 -2.255 1.00 73.43 H new ATOM 0 HB2 LEU A 3 -2.818 -2.507 -3.413 1.00 43.32 H new ATOM 0 HB3 LEU A 3 -2.326 -2.708 -1.743 1.00 43.32 H new ATOM 0 HG LEU A 3 -4.184 -4.593 -3.220 1.00 50.42 H new ATOM 0 HD11 LEU A 3 -2.255 -6.123 -3.285 1.00 22.34 H new ATOM 0 HD12 LEU A 3 -1.942 -4.627 -4.196 1.00 22.34 H new ATOM 0 HD13 LEU A 3 -1.228 -4.851 -2.581 1.00 22.34 H new ATOM 0 HD21 LEU A 3 -3.748 -6.098 -1.319 1.00 23.41 H new ATOM 0 HD22 LEU A 3 -2.780 -4.825 -0.539 1.00 23.41 H new ATOM 0 HD23 LEU A 3 -4.524 -4.584 -0.798 1.00 23.41 H new ATOM 54 N ALA A 4 -5.941 -2.007 -3.830 1.00 5.44 N ATOM 55 CA ALA A 4 -7.109 -2.409 -4.603 1.00 23.33 C ATOM 56 C ALA A 4 -6.859 -3.727 -5.328 1.00 73.31 C ATOM 57 O ALA A 4 -5.715 -4.097 -5.591 1.00 5.35 O ATOM 58 CB ALA A 4 -7.485 -1.321 -5.597 1.00 1.53 C ATOM 0 H ALA A 4 -5.415 -1.232 -4.234 1.00 5.44 H new ATOM 0 HA ALA A 4 -7.939 -2.556 -3.912 1.00 23.33 H new ATOM 0 HB1 ALA A 4 -8.359 -1.635 -6.167 1.00 1.53 H new ATOM 0 HB2 ALA A 4 -7.714 -0.401 -5.060 1.00 1.53 H new ATOM 0 HB3 ALA A 4 -6.652 -1.146 -6.277 1.00 1.53 H new ATOM 64 N LYS A 5 -7.938 -4.434 -5.649 1.00 42.34 N ATOM 65 CA LYS A 5 -7.837 -5.711 -6.345 1.00 70.03 C ATOM 66 C LYS A 5 -8.217 -5.562 -7.815 1.00 15.52 C ATOM 67 O LYS A 5 -9.036 -4.714 -8.170 1.00 21.13 O ATOM 68 CB LYS A 5 -8.739 -6.752 -5.677 1.00 43.43 C ATOM 69 CG LYS A 5 -8.393 -8.183 -6.047 1.00 63.53 C ATOM 70 CD LYS A 5 -7.014 -8.573 -5.540 1.00 51.25 C ATOM 71 CE LYS A 5 -6.788 -10.074 -5.637 1.00 13.12 C ATOM 72 NZ LYS A 5 -7.239 -10.783 -4.407 1.00 54.43 N ATOM 0 H LYS A 5 -8.893 -4.144 -5.438 1.00 42.34 H new ATOM 0 HA LYS A 5 -6.801 -6.046 -6.288 1.00 70.03 H new ATOM 0 HB2 LYS A 5 -8.671 -6.639 -4.595 1.00 43.43 H new ATOM 0 HB3 LYS A 5 -9.775 -6.554 -5.954 1.00 43.43 H new ATOM 0 HG2 LYS A 5 -9.140 -8.858 -5.629 1.00 63.53 H new ATOM 0 HG3 LYS A 5 -8.429 -8.299 -7.130 1.00 63.53 H new ATOM 0 HD2 LYS A 5 -6.252 -8.051 -6.118 1.00 51.25 H new ATOM 0 HD3 LYS A 5 -6.902 -8.253 -4.504 1.00 51.25 H new ATOM 0 HE2 LYS A 5 -7.325 -10.467 -6.500 1.00 13.12 H new ATOM 0 HE3 LYS A 5 -5.729 -10.272 -5.803 1.00 13.12 H new ATOM 0 HZ1 LYS A 5 -7.068 -11.803 -4.512 1.00 54.43 H new ATOM 0 HZ2 LYS A 5 -6.709 -10.426 -3.586 1.00 54.43 H new ATOM 0 HZ3 LYS A 5 -8.255 -10.615 -4.262 1.00 54.43 H new ATOM 86 N GLU A 6 -7.619 -6.391 -8.664 1.00 21.12 N ATOM 87 CA GLU A 6 -7.897 -6.350 -10.095 1.00 22.23 C ATOM 88 C GLU A 6 -8.658 -7.597 -10.537 1.00 42.20 C ATOM 89 O GLU A 6 -8.514 -8.667 -9.946 1.00 34.03 O ATOM 90 CB GLU A 6 -6.593 -6.227 -10.887 1.00 33.24 C ATOM 91 CG GLU A 6 -6.153 -4.791 -11.114 1.00 65.00 C ATOM 92 CD GLU A 6 -4.653 -4.664 -11.301 1.00 52.34 C ATOM 93 OE1 GLU A 6 -3.949 -4.420 -10.299 1.00 33.12 O ATOM 94 OE2 GLU A 6 -4.184 -4.807 -12.450 1.00 22.15 O ATOM 0 H GLU A 6 -6.939 -7.099 -8.386 1.00 21.12 H new ATOM 0 HA GLU A 6 -8.518 -5.477 -10.294 1.00 22.23 H new ATOM 0 HB2 GLU A 6 -5.804 -6.761 -10.357 1.00 33.24 H new ATOM 0 HB3 GLU A 6 -6.716 -6.717 -11.853 1.00 33.24 H new ATOM 0 HG2 GLU A 6 -6.660 -4.394 -11.993 1.00 65.00 H new ATOM 0 HG3 GLU A 6 -6.463 -4.181 -10.265 1.00 65.00 H new ATOM 101 N ASP A 7 -9.467 -7.449 -11.580 1.00 72.40 N ATOM 102 CA ASP A 7 -10.251 -8.562 -12.103 1.00 30.52 C ATOM 103 C ASP A 7 -9.929 -8.811 -13.573 1.00 44.10 C ATOM 104 O ASP A 7 -9.385 -7.942 -14.255 1.00 42.02 O ATOM 105 CB ASP A 7 -11.746 -8.285 -11.936 1.00 3.54 C ATOM 106 CG ASP A 7 -12.082 -7.733 -10.564 1.00 50.42 C ATOM 107 OD1 ASP A 7 -12.199 -8.535 -9.615 1.00 11.13 O ATOM 108 OD2 ASP A 7 -12.229 -6.498 -10.441 1.00 20.44 O ATOM 0 H ASP A 7 -9.597 -6.570 -12.080 1.00 72.40 H new ATOM 0 HA ASP A 7 -9.989 -9.455 -11.536 1.00 30.52 H new ATOM 0 HB2 ASP A 7 -12.069 -7.576 -12.699 1.00 3.54 H new ATOM 0 HB3 ASP A 7 -12.304 -9.207 -12.100 1.00 3.54 H new ATOM 113 N TYR A 8 -10.266 -10.002 -14.054 1.00 53.02 N ATOM 114 CA TYR A 8 -10.010 -10.366 -15.443 1.00 23.24 C ATOM 115 C TYR A 8 -10.770 -9.449 -16.396 1.00 21.31 C ATOM 116 O TYR A 8 -10.332 -9.203 -17.520 1.00 1.21 O ATOM 117 CB TYR A 8 -10.407 -11.822 -15.692 1.00 34.13 C ATOM 118 CG TYR A 8 -9.854 -12.785 -14.666 1.00 23.11 C ATOM 119 CD1 TYR A 8 -10.641 -13.806 -14.146 1.00 41.55 C ATOM 120 CD2 TYR A 8 -8.544 -12.674 -14.215 1.00 71.24 C ATOM 121 CE1 TYR A 8 -10.140 -14.687 -13.209 1.00 23.45 C ATOM 122 CE2 TYR A 8 -8.034 -13.552 -13.279 1.00 31.30 C ATOM 123 CZ TYR A 8 -8.836 -14.557 -12.778 1.00 43.04 C ATOM 124 OH TYR A 8 -8.332 -15.433 -11.844 1.00 42.13 O ATOM 0 H TYR A 8 -10.717 -10.732 -13.503 1.00 53.02 H new ATOM 0 HA TYR A 8 -8.943 -10.250 -15.631 1.00 23.24 H new ATOM 0 HB2 TYR A 8 -11.494 -11.897 -15.699 1.00 34.13 H new ATOM 0 HB3 TYR A 8 -10.060 -12.120 -16.681 1.00 34.13 H new ATOM 0 HD1 TYR A 8 -11.662 -13.912 -14.481 1.00 41.55 H new ATOM 0 HD2 TYR A 8 -7.914 -11.887 -14.603 1.00 71.24 H new ATOM 0 HE1 TYR A 8 -10.766 -15.474 -12.815 1.00 23.45 H new ATOM 0 HE2 TYR A 8 -7.013 -13.453 -12.941 1.00 31.30 H new ATOM 0 HH TYR A 8 -8.757 -15.266 -10.977 1.00 42.13 H new ATOM 134 N TYR A 9 -11.911 -8.947 -15.938 1.00 51.32 N ATOM 135 CA TYR A 9 -12.735 -8.058 -16.749 1.00 63.15 C ATOM 136 C TYR A 9 -11.907 -6.902 -17.303 1.00 61.52 C ATOM 137 O TYR A 9 -12.012 -6.558 -18.480 1.00 33.10 O ATOM 138 CB TYR A 9 -13.902 -7.514 -15.923 1.00 64.44 C ATOM 139 CG TYR A 9 -14.735 -8.593 -15.269 1.00 22.11 C ATOM 140 CD1 TYR A 9 -14.636 -8.844 -13.906 1.00 62.31 C ATOM 141 CD2 TYR A 9 -15.622 -9.361 -16.014 1.00 1.33 C ATOM 142 CE1 TYR A 9 -15.395 -9.829 -13.304 1.00 65.44 C ATOM 143 CE2 TYR A 9 -16.386 -10.347 -15.420 1.00 43.01 C ATOM 144 CZ TYR A 9 -16.268 -10.578 -14.065 1.00 51.24 C ATOM 145 OH TYR A 9 -17.027 -11.559 -13.469 1.00 63.14 O ATOM 0 H TYR A 9 -12.287 -9.140 -15.010 1.00 51.32 H new ATOM 0 HA TYR A 9 -13.129 -8.633 -17.587 1.00 63.15 H new ATOM 0 HB2 TYR A 9 -13.512 -6.850 -15.152 1.00 64.44 H new ATOM 0 HB3 TYR A 9 -14.543 -6.912 -16.567 1.00 64.44 H new ATOM 0 HD1 TYR A 9 -13.954 -8.259 -13.307 1.00 62.31 H new ATOM 0 HD2 TYR A 9 -15.716 -9.184 -17.075 1.00 1.33 H new ATOM 0 HE1 TYR A 9 -15.305 -10.011 -12.243 1.00 65.44 H new ATOM 0 HE2 TYR A 9 -17.072 -10.934 -16.013 1.00 43.01 H new ATOM 0 HH TYR A 9 -17.357 -11.237 -12.604 1.00 63.14 H new ATOM 155 N GLN A 10 -11.083 -6.309 -16.445 1.00 53.14 N ATOM 156 CA GLN A 10 -10.237 -5.192 -16.848 1.00 40.11 C ATOM 157 C GLN A 10 -9.086 -5.670 -17.728 1.00 35.04 C ATOM 158 O GLN A 10 -8.750 -5.033 -18.727 1.00 33.44 O ATOM 159 CB GLN A 10 -9.687 -4.471 -15.616 1.00 32.10 C ATOM 160 CG GLN A 10 -10.721 -3.618 -14.899 1.00 2.14 C ATOM 161 CD GLN A 10 -11.542 -4.411 -13.902 1.00 34.51 C ATOM 162 OE1 GLN A 10 -12.731 -4.654 -14.113 1.00 60.00 O ATOM 163 NE2 GLN A 10 -10.912 -4.821 -12.807 1.00 62.14 N ATOM 0 H GLN A 10 -10.983 -6.583 -15.468 1.00 53.14 H new ATOM 0 HA GLN A 10 -10.847 -4.497 -17.425 1.00 40.11 H new ATOM 0 HB2 GLN A 10 -9.291 -5.210 -14.919 1.00 32.10 H new ATOM 0 HB3 GLN A 10 -8.852 -3.838 -15.918 1.00 32.10 H new ATOM 0 HG2 GLN A 10 -10.217 -2.802 -14.381 1.00 2.14 H new ATOM 0 HG3 GLN A 10 -11.387 -3.166 -15.634 1.00 2.14 H new ATOM 0 HE21 GLN A 10 -9.926 -4.598 -12.672 1.00 62.14 H new ATOM 0 HE22 GLN A 10 -11.414 -5.359 -12.101 1.00 62.14 H new ATOM 172 N ILE A 11 -8.487 -6.794 -17.350 1.00 2.25 N ATOM 173 CA ILE A 11 -7.374 -7.357 -18.105 1.00 15.03 C ATOM 174 C ILE A 11 -7.778 -7.644 -19.547 1.00 14.31 C ATOM 175 O ILE A 11 -6.931 -7.721 -20.437 1.00 65.30 O ATOM 176 CB ILE A 11 -6.857 -8.657 -17.460 1.00 53.32 C ATOM 177 CG1 ILE A 11 -6.416 -8.396 -16.018 1.00 72.35 C ATOM 178 CG2 ILE A 11 -5.709 -9.232 -18.276 1.00 3.53 C ATOM 179 CD1 ILE A 11 -6.304 -9.653 -15.185 1.00 22.44 C ATOM 0 H ILE A 11 -8.753 -7.333 -16.526 1.00 2.25 H new ATOM 0 HA ILE A 11 -6.577 -6.614 -18.094 1.00 15.03 H new ATOM 0 HB ILE A 11 -7.667 -9.386 -17.445 1.00 53.32 H new ATOM 0 HG12 ILE A 11 -5.451 -7.889 -16.028 1.00 72.35 H new ATOM 0 HG13 ILE A 11 -7.128 -7.719 -15.546 1.00 72.35 H new ATOM 0 HG21 ILE A 11 -5.354 -10.150 -17.808 1.00 3.53 H new ATOM 0 HG22 ILE A 11 -6.054 -9.450 -19.287 1.00 3.53 H new ATOM 0 HG23 ILE A 11 -4.895 -8.508 -18.319 1.00 3.53 H new ATOM 0 HD11 ILE A 11 -5.987 -9.393 -14.175 1.00 22.44 H new ATOM 0 HD12 ILE A 11 -7.273 -10.150 -15.145 1.00 22.44 H new ATOM 0 HD13 ILE A 11 -5.571 -10.323 -15.634 1.00 22.44 H new ATOM 191 N LEU A 12 -9.078 -7.798 -19.772 1.00 35.54 N ATOM 192 CA LEU A 12 -9.597 -8.075 -21.107 1.00 45.31 C ATOM 193 C LEU A 12 -10.315 -6.855 -21.675 1.00 61.15 C ATOM 194 O LEU A 12 -10.546 -6.763 -22.880 1.00 64.44 O ATOM 195 CB LEU A 12 -10.550 -9.270 -21.068 1.00 61.35 C ATOM 196 CG LEU A 12 -9.912 -10.645 -21.273 1.00 44.32 C ATOM 197 CD1 LEU A 12 -10.923 -11.748 -21.004 1.00 63.31 C ATOM 198 CD2 LEU A 12 -9.348 -10.767 -22.682 1.00 14.44 C ATOM 0 H LEU A 12 -9.793 -7.736 -19.047 1.00 35.54 H new ATOM 0 HA LEU A 12 -8.754 -8.313 -21.756 1.00 45.31 H new ATOM 0 HB2 LEU A 12 -11.062 -9.269 -20.106 1.00 61.35 H new ATOM 0 HB3 LEU A 12 -11.311 -9.127 -21.835 1.00 61.35 H new ATOM 0 HG LEU A 12 -9.091 -10.753 -20.564 1.00 44.32 H new ATOM 0 HD11 LEU A 12 -10.451 -12.719 -21.155 1.00 63.31 H new ATOM 0 HD12 LEU A 12 -11.278 -11.673 -19.976 1.00 63.31 H new ATOM 0 HD13 LEU A 12 -11.766 -11.644 -21.688 1.00 63.31 H new ATOM 0 HD21 LEU A 12 -8.898 -11.752 -22.810 1.00 14.44 H new ATOM 0 HD22 LEU A 12 -10.151 -10.638 -23.408 1.00 14.44 H new ATOM 0 HD23 LEU A 12 -8.591 -9.999 -22.839 1.00 14.44 H new ATOM 210 N GLY A 13 -10.665 -5.918 -20.799 1.00 24.52 N ATOM 211 CA GLY A 13 -11.351 -4.716 -21.232 1.00 51.35 C ATOM 212 C GLY A 13 -12.826 -4.952 -21.492 1.00 43.52 C ATOM 213 O GLY A 13 -13.445 -4.242 -22.285 1.00 14.24 O ATOM 0 H GLY A 13 -10.485 -5.971 -19.796 1.00 24.52 H new ATOM 0 HA2 GLY A 13 -11.238 -3.943 -20.472 1.00 51.35 H new ATOM 0 HA3 GLY A 13 -10.881 -4.340 -22.141 1.00 51.35 H new ATOM 217 N VAL A 14 -13.390 -5.953 -20.824 1.00 50.32 N ATOM 218 CA VAL A 14 -14.801 -6.281 -20.987 1.00 72.11 C ATOM 219 C VAL A 14 -15.585 -5.983 -19.714 1.00 53.31 C ATOM 220 O VAL A 14 -15.050 -6.005 -18.606 1.00 23.32 O ATOM 221 CB VAL A 14 -14.993 -7.763 -21.360 1.00 33.12 C ATOM 222 CG1 VAL A 14 -14.270 -8.085 -22.658 1.00 64.53 C ATOM 223 CG2 VAL A 14 -14.509 -8.663 -20.233 1.00 12.45 C ATOM 0 H VAL A 14 -12.891 -6.551 -20.165 1.00 50.32 H new ATOM 0 HA VAL A 14 -15.179 -5.658 -21.797 1.00 72.11 H new ATOM 0 HB VAL A 14 -16.057 -7.947 -21.510 1.00 33.12 H new ATOM 0 HG11 VAL A 14 -14.417 -9.136 -22.905 1.00 64.53 H new ATOM 0 HG12 VAL A 14 -14.669 -7.464 -23.460 1.00 64.53 H new ATOM 0 HG13 VAL A 14 -13.205 -7.886 -22.540 1.00 64.53 H new ATOM 0 HG21 VAL A 14 -14.652 -9.706 -20.514 1.00 12.45 H new ATOM 0 HG22 VAL A 14 -13.451 -8.479 -20.049 1.00 12.45 H new ATOM 0 HG23 VAL A 14 -15.077 -8.450 -19.328 1.00 12.45 H new ATOM 233 N PRO A 15 -16.886 -5.697 -19.874 1.00 0.42 N ATOM 234 CA PRO A 15 -17.773 -5.389 -18.748 1.00 21.12 C ATOM 235 C PRO A 15 -18.048 -6.610 -17.876 1.00 42.23 C ATOM 236 O PRO A 15 -17.616 -7.719 -18.191 1.00 43.20 O ATOM 237 CB PRO A 15 -19.060 -4.917 -19.429 1.00 31.42 C ATOM 238 CG PRO A 15 -19.039 -5.566 -20.770 1.00 32.45 C ATOM 239 CD PRO A 15 -17.591 -5.652 -21.166 1.00 11.32 C ATOM 0 HA PRO A 15 -17.336 -4.652 -18.075 1.00 21.12 H new ATOM 0 HB2 PRO A 15 -19.941 -5.213 -18.860 1.00 31.42 H new ATOM 0 HB3 PRO A 15 -19.087 -3.831 -19.515 1.00 31.42 H new ATOM 0 HG2 PRO A 15 -19.492 -6.556 -20.731 1.00 32.45 H new ATOM 0 HG3 PRO A 15 -19.608 -4.983 -21.495 1.00 32.45 H new ATOM 0 HD2 PRO A 15 -17.390 -6.541 -21.764 1.00 11.32 H new ATOM 0 HD3 PRO A 15 -17.285 -4.791 -21.761 1.00 11.32 H new ATOM 247 N ARG A 16 -18.769 -6.398 -16.780 1.00 71.43 N ATOM 248 CA ARG A 16 -19.101 -7.482 -15.863 1.00 42.01 C ATOM 249 C ARG A 16 -20.258 -8.317 -16.404 1.00 13.44 C ATOM 250 O ARG A 16 -20.585 -9.370 -15.858 1.00 2.41 O ATOM 251 CB ARG A 16 -19.462 -6.921 -14.486 1.00 42.15 C ATOM 252 CG ARG A 16 -18.398 -6.005 -13.904 1.00 23.42 C ATOM 253 CD ARG A 16 -17.249 -6.799 -13.302 1.00 24.21 C ATOM 254 NE ARG A 16 -17.526 -7.207 -11.927 1.00 42.42 N ATOM 255 CZ ARG A 16 -17.588 -6.358 -10.907 1.00 55.45 C ATOM 256 NH1 ARG A 16 -17.395 -5.061 -11.107 1.00 71.21 N ATOM 257 NH2 ARG A 16 -17.846 -6.805 -9.685 1.00 5.10 N ATOM 0 H ARG A 16 -19.134 -5.486 -16.505 1.00 71.43 H new ATOM 0 HA ARG A 16 -18.226 -8.125 -15.768 1.00 42.01 H new ATOM 0 HB2 ARG A 16 -20.401 -6.372 -14.561 1.00 42.15 H new ATOM 0 HB3 ARG A 16 -19.632 -7.750 -13.798 1.00 42.15 H new ATOM 0 HG2 ARG A 16 -18.017 -5.346 -14.684 1.00 23.42 H new ATOM 0 HG3 ARG A 16 -18.843 -5.369 -13.139 1.00 23.42 H new ATOM 0 HD2 ARG A 16 -17.061 -7.683 -13.911 1.00 24.21 H new ATOM 0 HD3 ARG A 16 -16.341 -6.197 -13.325 1.00 24.21 H new ATOM 0 HE ARG A 16 -17.680 -8.198 -11.740 1.00 42.42 H new ATOM 0 HH11 ARG A 16 -17.198 -4.713 -12.046 1.00 71.21 H new ATOM 0 HH12 ARG A 16 -17.443 -4.411 -10.322 1.00 71.21 H new ATOM 0 HH21 ARG A 16 -17.997 -7.801 -9.528 1.00 5.10 H new ATOM 0 HH22 ARG A 16 -17.893 -6.152 -8.903 1.00 5.10 H new ATOM 271 N ASN A 17 -20.875 -7.838 -17.479 1.00 42.42 N ATOM 272 CA ASN A 17 -21.997 -8.539 -18.093 1.00 4.11 C ATOM 273 C ASN A 17 -21.623 -9.055 -19.479 1.00 62.11 C ATOM 274 O ASN A 17 -22.458 -9.613 -20.191 1.00 5.22 O ATOM 275 CB ASN A 17 -23.211 -7.613 -18.192 1.00 31.55 C ATOM 276 CG ASN A 17 -23.791 -7.274 -16.832 1.00 72.11 C ATOM 277 OD1 ASN A 17 -23.676 -8.051 -15.884 1.00 70.11 O ATOM 278 ND2 ASN A 17 -24.419 -6.108 -16.731 1.00 74.53 N ATOM 0 H ASN A 17 -20.617 -6.967 -17.943 1.00 42.42 H new ATOM 0 HA ASN A 17 -22.249 -9.392 -17.463 1.00 4.11 H new ATOM 0 HB2 ASN A 17 -22.923 -6.693 -18.701 1.00 31.55 H new ATOM 0 HB3 ASN A 17 -23.978 -8.088 -18.803 1.00 31.55 H new ATOM 0 HD21 ASN A 17 -24.830 -5.825 -15.841 1.00 74.53 H new ATOM 0 HD22 ASN A 17 -24.490 -5.495 -17.543 1.00 74.53 H new ATOM 285 N ALA A 18 -20.362 -8.865 -19.855 1.00 73.40 N ATOM 286 CA ALA A 18 -19.877 -9.314 -21.154 1.00 42.02 C ATOM 287 C ALA A 18 -20.177 -10.793 -21.372 1.00 34.13 C ATOM 288 O ALA A 18 -20.406 -11.537 -20.418 1.00 0.32 O ATOM 289 CB ALA A 18 -18.383 -9.053 -21.278 1.00 60.21 C ATOM 0 H ALA A 18 -19.659 -8.403 -19.278 1.00 73.40 H new ATOM 0 HA ALA A 18 -20.400 -8.747 -21.925 1.00 42.02 H new ATOM 0 HB1 ALA A 18 -18.034 -9.393 -22.253 1.00 60.21 H new ATOM 0 HB2 ALA A 18 -18.191 -7.985 -21.176 1.00 60.21 H new ATOM 0 HB3 ALA A 18 -17.853 -9.594 -20.494 1.00 60.21 H new ATOM 295 N SER A 19 -20.176 -11.213 -22.633 1.00 33.22 N ATOM 296 CA SER A 19 -20.453 -12.603 -22.976 1.00 35.13 C ATOM 297 C SER A 19 -19.181 -13.317 -23.423 1.00 11.44 C ATOM 298 O SER A 19 -18.148 -12.685 -23.641 1.00 63.13 O ATOM 299 CB SER A 19 -21.508 -12.677 -24.081 1.00 74.13 C ATOM 300 OG SER A 19 -21.446 -11.538 -24.922 1.00 73.45 O ATOM 0 H SER A 19 -19.986 -10.611 -23.434 1.00 33.22 H new ATOM 0 HA SER A 19 -20.834 -13.102 -22.085 1.00 35.13 H new ATOM 0 HB2 SER A 19 -21.356 -13.579 -24.673 1.00 74.13 H new ATOM 0 HB3 SER A 19 -22.500 -12.751 -23.636 1.00 74.13 H new ATOM 0 HG SER A 19 -22.129 -11.610 -25.621 1.00 73.45 H new ATOM 306 N GLN A 20 -19.266 -14.636 -23.556 1.00 21.33 N ATOM 307 CA GLN A 20 -18.121 -15.436 -23.976 1.00 34.34 C ATOM 308 C GLN A 20 -17.692 -15.071 -25.393 1.00 14.32 C ATOM 309 O GLN A 20 -16.530 -15.238 -25.764 1.00 14.51 O ATOM 310 CB GLN A 20 -18.459 -16.926 -23.901 1.00 21.34 C ATOM 311 CG GLN A 20 -19.181 -17.323 -22.623 1.00 51.01 C ATOM 312 CD GLN A 20 -18.566 -16.698 -21.387 1.00 3.04 C ATOM 313 OE1 GLN A 20 -17.518 -17.325 -20.865 1.00 64.54 O flip ATOM 314 NE2 GLN A 20 -19.027 -15.662 -20.905 1.00 33.43 N flip ATOM 0 H GLN A 20 -20.115 -15.174 -23.379 1.00 21.33 H new ATOM 0 HA GLN A 20 -17.293 -15.223 -23.299 1.00 34.34 H new ATOM 0 HB2 GLN A 20 -19.079 -17.193 -24.757 1.00 21.34 H new ATOM 0 HB3 GLN A 20 -17.538 -17.503 -23.983 1.00 21.34 H new ATOM 0 HG2 GLN A 20 -20.227 -17.025 -22.694 1.00 51.01 H new ATOM 0 HG3 GLN A 20 -19.165 -18.408 -22.523 1.00 51.01 H new ATOM 0 HE21 GLN A 20 -19.834 -15.213 -21.338 1.00 33.43 H new ATOM 0 HE22 GLN A 20 -18.602 -15.253 -20.073 1.00 33.43 H new ATOM 323 N LYS A 21 -18.638 -14.572 -26.182 1.00 0.44 N ATOM 324 CA LYS A 21 -18.359 -14.181 -27.558 1.00 60.15 C ATOM 325 C LYS A 21 -17.648 -12.833 -27.608 1.00 43.41 C ATOM 326 O LYS A 21 -16.700 -12.649 -28.371 1.00 53.14 O ATOM 327 CB LYS A 21 -19.658 -14.114 -28.365 1.00 31.34 C ATOM 328 CG LYS A 21 -20.420 -15.428 -28.399 1.00 55.44 C ATOM 329 CD LYS A 21 -21.654 -15.333 -29.282 1.00 22.11 C ATOM 330 CE LYS A 21 -22.277 -16.700 -29.516 1.00 75.53 C ATOM 331 NZ LYS A 21 -21.392 -17.582 -30.327 1.00 35.11 N ATOM 0 H LYS A 21 -19.605 -14.429 -25.891 1.00 0.44 H new ATOM 0 HA LYS A 21 -17.704 -14.934 -27.997 1.00 60.15 H new ATOM 0 HB2 LYS A 21 -20.300 -13.342 -27.941 1.00 31.34 H new ATOM 0 HB3 LYS A 21 -19.427 -13.811 -29.386 1.00 31.34 H new ATOM 0 HG2 LYS A 21 -19.767 -16.219 -28.768 1.00 55.44 H new ATOM 0 HG3 LYS A 21 -20.716 -15.705 -27.387 1.00 55.44 H new ATOM 0 HD2 LYS A 21 -22.386 -14.673 -28.817 1.00 22.11 H new ATOM 0 HD3 LYS A 21 -21.385 -14.886 -30.239 1.00 22.11 H new ATOM 0 HE2 LYS A 21 -22.482 -17.175 -28.556 1.00 75.53 H new ATOM 0 HE3 LYS A 21 -23.234 -16.581 -30.023 1.00 75.53 H new ATOM 0 HZ1 LYS A 21 -21.947 -18.376 -30.707 1.00 35.11 H new ATOM 0 HZ2 LYS A 21 -20.985 -17.037 -31.113 1.00 35.11 H new ATOM 0 HZ3 LYS A 21 -20.626 -17.950 -29.728 1.00 35.11 H new ATOM 345 N GLU A 22 -18.111 -11.894 -26.788 1.00 44.15 N ATOM 346 CA GLU A 22 -17.517 -10.563 -26.740 1.00 0.12 C ATOM 347 C GLU A 22 -16.094 -10.621 -26.191 1.00 71.55 C ATOM 348 O GLU A 22 -15.232 -9.836 -26.588 1.00 72.50 O ATOM 349 CB GLU A 22 -18.370 -9.631 -25.876 1.00 60.05 C ATOM 350 CG GLU A 22 -17.776 -8.242 -25.710 1.00 30.43 C ATOM 351 CD GLU A 22 -17.494 -7.565 -27.037 1.00 31.32 C ATOM 352 OE1 GLU A 22 -18.463 -7.205 -27.737 1.00 61.14 O ATOM 353 OE2 GLU A 22 -16.304 -7.395 -27.374 1.00 63.44 O ATOM 0 H GLU A 22 -18.894 -12.030 -26.149 1.00 44.15 H new ATOM 0 HA GLU A 22 -17.480 -10.173 -27.757 1.00 0.12 H new ATOM 0 HB2 GLU A 22 -19.361 -9.542 -26.321 1.00 60.05 H new ATOM 0 HB3 GLU A 22 -18.502 -10.081 -24.892 1.00 60.05 H new ATOM 0 HG2 GLU A 22 -18.462 -7.625 -25.130 1.00 30.43 H new ATOM 0 HG3 GLU A 22 -16.850 -8.313 -25.139 1.00 30.43 H new ATOM 360 N ILE A 23 -15.857 -11.556 -25.278 1.00 24.34 N ATOM 361 CA ILE A 23 -14.539 -11.718 -24.675 1.00 52.13 C ATOM 362 C ILE A 23 -13.521 -12.203 -25.702 1.00 32.13 C ATOM 363 O ILE A 23 -12.345 -11.843 -25.645 1.00 12.12 O ATOM 364 CB ILE A 23 -14.576 -12.709 -23.497 1.00 74.55 C ATOM 365 CG1 ILE A 23 -15.509 -12.195 -22.399 1.00 32.50 C ATOM 366 CG2 ILE A 23 -13.175 -12.933 -22.949 1.00 12.35 C ATOM 367 CD1 ILE A 23 -16.175 -13.299 -21.607 1.00 11.44 C ATOM 0 H ILE A 23 -16.560 -12.213 -24.939 1.00 24.34 H new ATOM 0 HA ILE A 23 -14.239 -10.738 -24.304 1.00 52.13 H new ATOM 0 HB ILE A 23 -14.961 -13.664 -23.856 1.00 74.55 H new ATOM 0 HG12 ILE A 23 -14.941 -11.562 -21.718 1.00 32.50 H new ATOM 0 HG13 ILE A 23 -16.278 -11.568 -22.851 1.00 32.50 H new ATOM 0 HG21 ILE A 23 -13.218 -13.636 -22.117 1.00 12.35 H new ATOM 0 HG22 ILE A 23 -12.538 -13.339 -23.735 1.00 12.35 H new ATOM 0 HG23 ILE A 23 -12.764 -11.985 -22.602 1.00 12.35 H new ATOM 0 HD11 ILE A 23 -16.822 -12.862 -20.846 1.00 11.44 H new ATOM 0 HD12 ILE A 23 -16.771 -13.919 -22.277 1.00 11.44 H new ATOM 0 HD13 ILE A 23 -15.413 -13.913 -21.126 1.00 11.44 H new ATOM 379 N LYS A 24 -13.981 -13.022 -26.642 1.00 12.32 N ATOM 380 CA LYS A 24 -13.113 -13.555 -27.685 1.00 23.05 C ATOM 381 C LYS A 24 -12.537 -12.431 -28.540 1.00 63.42 C ATOM 382 O LYS A 24 -11.364 -12.460 -28.914 1.00 70.43 O ATOM 383 CB LYS A 24 -13.885 -14.538 -28.567 1.00 54.22 C ATOM 384 CG LYS A 24 -13.964 -15.941 -27.991 1.00 13.24 C ATOM 385 CD LYS A 24 -14.861 -16.838 -28.827 1.00 64.05 C ATOM 386 CE LYS A 24 -14.099 -17.462 -29.986 1.00 64.24 C ATOM 387 NZ LYS A 24 -14.685 -18.768 -30.397 1.00 30.03 N ATOM 0 H LYS A 24 -14.951 -13.331 -26.703 1.00 12.32 H new ATOM 0 HA LYS A 24 -12.288 -14.080 -27.203 1.00 23.05 H new ATOM 0 HB2 LYS A 24 -14.896 -14.160 -28.719 1.00 54.22 H new ATOM 0 HB3 LYS A 24 -13.411 -14.583 -29.547 1.00 54.22 H new ATOM 0 HG2 LYS A 24 -12.964 -16.371 -27.940 1.00 13.24 H new ATOM 0 HG3 LYS A 24 -14.344 -15.895 -26.970 1.00 13.24 H new ATOM 0 HD2 LYS A 24 -15.278 -17.625 -28.199 1.00 64.05 H new ATOM 0 HD3 LYS A 24 -15.700 -16.259 -29.212 1.00 64.05 H new ATOM 0 HE2 LYS A 24 -14.105 -16.778 -30.835 1.00 64.24 H new ATOM 0 HE3 LYS A 24 -13.057 -17.606 -29.700 1.00 64.24 H new ATOM 0 HZ1 LYS A 24 -14.137 -19.160 -31.189 1.00 30.03 H new ATOM 0 HZ2 LYS A 24 -14.656 -19.429 -29.595 1.00 30.03 H new ATOM 0 HZ3 LYS A 24 -15.672 -18.628 -30.694 1.00 30.03 H new ATOM 401 N LYS A 25 -13.368 -11.441 -28.846 1.00 71.10 N ATOM 402 CA LYS A 25 -12.941 -10.306 -29.655 1.00 55.42 C ATOM 403 C LYS A 25 -12.006 -9.396 -28.865 1.00 52.55 C ATOM 404 O LYS A 25 -10.946 -9.006 -29.354 1.00 22.05 O ATOM 405 CB LYS A 25 -14.157 -9.511 -30.137 1.00 14.23 C ATOM 406 CG LYS A 25 -14.906 -10.176 -31.279 1.00 22.34 C ATOM 407 CD LYS A 25 -16.312 -9.619 -31.423 1.00 71.32 C ATOM 408 CE LYS A 25 -16.332 -8.378 -32.303 1.00 34.45 C ATOM 409 NZ LYS A 25 -17.721 -7.920 -32.583 1.00 13.01 N ATOM 0 H LYS A 25 -14.342 -11.402 -28.546 1.00 71.10 H new ATOM 0 HA LYS A 25 -12.400 -10.691 -30.520 1.00 55.42 H new ATOM 0 HB2 LYS A 25 -14.841 -9.367 -29.301 1.00 14.23 H new ATOM 0 HB3 LYS A 25 -13.830 -8.521 -30.456 1.00 14.23 H new ATOM 0 HG2 LYS A 25 -14.358 -10.028 -32.210 1.00 22.34 H new ATOM 0 HG3 LYS A 25 -14.956 -11.251 -31.106 1.00 22.34 H new ATOM 0 HD2 LYS A 25 -16.964 -10.380 -31.851 1.00 71.32 H new ATOM 0 HD3 LYS A 25 -16.710 -9.375 -30.438 1.00 71.32 H new ATOM 0 HE2 LYS A 25 -15.777 -7.577 -31.814 1.00 34.45 H new ATOM 0 HE3 LYS A 25 -15.823 -8.591 -33.243 1.00 34.45 H new ATOM 0 HZ1 LYS A 25 -17.692 -7.073 -33.185 1.00 13.01 H new ATOM 0 HZ2 LYS A 25 -18.243 -8.675 -33.072 1.00 13.01 H new ATOM 0 HZ3 LYS A 25 -18.199 -7.692 -31.688 1.00 13.01 H new ATOM 423 N ALA A 26 -12.406 -9.062 -27.643 1.00 2.42 N ATOM 424 CA ALA A 26 -11.601 -8.201 -26.785 1.00 14.43 C ATOM 425 C ALA A 26 -10.260 -8.849 -26.458 1.00 74.14 C ATOM 426 O ALA A 26 -9.258 -8.161 -26.265 1.00 62.13 O ATOM 427 CB ALA A 26 -12.358 -7.876 -25.505 1.00 41.42 C ATOM 0 H ALA A 26 -13.282 -9.374 -27.225 1.00 2.42 H new ATOM 0 HA ALA A 26 -11.405 -7.274 -27.324 1.00 14.43 H new ATOM 0 HB1 ALA A 26 -11.745 -7.232 -24.873 1.00 41.42 H new ATOM 0 HB2 ALA A 26 -13.288 -7.363 -25.752 1.00 41.42 H new ATOM 0 HB3 ALA A 26 -12.584 -8.799 -24.971 1.00 41.42 H new ATOM 433 N TYR A 27 -10.250 -10.176 -26.398 1.00 4.02 N ATOM 434 CA TYR A 27 -9.032 -10.917 -26.092 1.00 21.24 C ATOM 435 C TYR A 27 -8.065 -10.888 -27.271 1.00 41.33 C ATOM 436 O TYR A 27 -6.848 -10.851 -27.090 1.00 64.12 O ATOM 437 CB TYR A 27 -9.368 -12.365 -25.730 1.00 13.24 C ATOM 438 CG TYR A 27 -8.153 -13.255 -25.603 1.00 70.40 C ATOM 439 CD1 TYR A 27 -7.079 -12.888 -24.802 1.00 45.34 C ATOM 440 CD2 TYR A 27 -8.079 -14.464 -26.285 1.00 4.25 C ATOM 441 CE1 TYR A 27 -5.966 -13.698 -24.684 1.00 43.31 C ATOM 442 CE2 TYR A 27 -6.971 -15.281 -26.171 1.00 44.20 C ATOM 443 CZ TYR A 27 -5.917 -14.893 -25.370 1.00 23.41 C ATOM 444 OH TYR A 27 -4.810 -15.704 -25.255 1.00 55.24 O ATOM 0 H TYR A 27 -11.071 -10.760 -26.557 1.00 4.02 H new ATOM 0 HA TYR A 27 -8.551 -10.438 -25.239 1.00 21.24 H new ATOM 0 HB2 TYR A 27 -9.917 -12.377 -24.788 1.00 13.24 H new ATOM 0 HB3 TYR A 27 -10.031 -12.776 -26.491 1.00 13.24 H new ATOM 0 HD1 TYR A 27 -7.115 -11.953 -24.262 1.00 45.34 H new ATOM 0 HD2 TYR A 27 -8.902 -14.770 -26.915 1.00 4.25 H new ATOM 0 HE1 TYR A 27 -5.139 -13.397 -24.058 1.00 43.31 H new ATOM 0 HE2 TYR A 27 -6.930 -16.218 -26.706 1.00 44.20 H new ATOM 0 HH TYR A 27 -4.936 -16.508 -25.801 1.00 55.24 H new ATOM 454 N TYR A 28 -8.616 -10.903 -28.480 1.00 31.33 N ATOM 455 CA TYR A 28 -7.804 -10.880 -29.691 1.00 20.25 C ATOM 456 C TYR A 28 -7.238 -9.486 -29.940 1.00 42.32 C ATOM 457 O TYR A 28 -6.047 -9.327 -30.209 1.00 75.04 O ATOM 458 CB TYR A 28 -8.633 -11.329 -30.895 1.00 34.13 C ATOM 459 CG TYR A 28 -7.887 -11.252 -32.207 1.00 43.42 C ATOM 460 CD1 TYR A 28 -8.363 -10.475 -33.256 1.00 14.33 C ATOM 461 CD2 TYR A 28 -6.703 -11.955 -32.398 1.00 54.41 C ATOM 462 CE1 TYR A 28 -7.685 -10.402 -34.457 1.00 3.34 C ATOM 463 CE2 TYR A 28 -6.017 -11.886 -33.595 1.00 72.32 C ATOM 464 CZ TYR A 28 -6.512 -11.109 -34.621 1.00 71.05 C ATOM 465 OH TYR A 28 -5.832 -11.038 -35.816 1.00 13.32 O ATOM 0 H TYR A 28 -9.622 -10.931 -28.647 1.00 31.33 H new ATOM 0 HA TYR A 28 -6.972 -11.571 -29.554 1.00 20.25 H new ATOM 0 HB2 TYR A 28 -8.964 -12.355 -30.735 1.00 34.13 H new ATOM 0 HB3 TYR A 28 -9.529 -10.711 -30.959 1.00 34.13 H new ATOM 0 HD1 TYR A 28 -9.280 -9.918 -33.130 1.00 14.33 H new ATOM 0 HD2 TYR A 28 -6.313 -12.565 -31.597 1.00 54.41 H new ATOM 0 HE1 TYR A 28 -8.071 -9.795 -35.263 1.00 3.34 H new ATOM 0 HE2 TYR A 28 -5.098 -12.438 -33.727 1.00 72.32 H new ATOM 0 HH TYR A 28 -5.026 -11.593 -35.767 1.00 13.32 H new ATOM 475 N GLN A 29 -8.100 -8.479 -29.848 1.00 14.21 N ATOM 476 CA GLN A 29 -7.687 -7.097 -30.064 1.00 20.23 C ATOM 477 C GLN A 29 -6.601 -6.693 -29.072 1.00 42.14 C ATOM 478 O GLN A 29 -5.705 -5.913 -29.400 1.00 73.23 O ATOM 479 CB GLN A 29 -8.887 -6.158 -29.935 1.00 11.51 C ATOM 480 CG GLN A 29 -9.320 -5.917 -28.498 1.00 30.24 C ATOM 481 CD GLN A 29 -10.465 -4.929 -28.390 1.00 61.24 C ATOM 482 OE1 GLN A 29 -10.312 -3.843 -27.832 1.00 12.35 O ATOM 483 NE2 GLN A 29 -11.621 -5.302 -28.927 1.00 41.22 N ATOM 0 H GLN A 29 -9.089 -8.594 -29.625 1.00 14.21 H new ATOM 0 HA GLN A 29 -7.280 -7.019 -31.072 1.00 20.23 H new ATOM 0 HB2 GLN A 29 -8.641 -5.202 -30.397 1.00 11.51 H new ATOM 0 HB3 GLN A 29 -9.725 -6.575 -30.493 1.00 11.51 H new ATOM 0 HG2 GLN A 29 -9.619 -6.864 -28.049 1.00 30.24 H new ATOM 0 HG3 GLN A 29 -8.471 -5.547 -27.924 1.00 30.24 H new ATOM 0 HE21 GLN A 29 -11.703 -6.212 -29.380 1.00 41.22 H new ATOM 0 HE22 GLN A 29 -12.427 -4.678 -28.886 1.00 41.22 H new ATOM 492 N LEU A 30 -6.686 -7.227 -27.859 1.00 42.01 N ATOM 493 CA LEU A 30 -5.710 -6.922 -26.819 1.00 1.44 C ATOM 494 C LEU A 30 -4.377 -7.606 -27.105 1.00 1.24 C ATOM 495 O LEU A 30 -3.313 -7.012 -26.929 1.00 72.52 O ATOM 496 CB LEU A 30 -6.238 -7.360 -25.452 1.00 13.03 C ATOM 497 CG LEU A 30 -6.598 -6.236 -24.479 1.00 72.13 C ATOM 498 CD1 LEU A 30 -7.511 -5.222 -25.150 1.00 54.12 C ATOM 499 CD2 LEU A 30 -7.255 -6.803 -23.229 1.00 2.31 C ATOM 0 H LEU A 30 -7.421 -7.873 -27.571 1.00 42.01 H new ATOM 0 HA LEU A 30 -5.550 -5.844 -26.811 1.00 1.44 H new ATOM 0 HB2 LEU A 30 -7.124 -7.976 -25.607 1.00 13.03 H new ATOM 0 HB3 LEU A 30 -5.487 -7.994 -24.981 1.00 13.03 H new ATOM 0 HG LEU A 30 -5.680 -5.728 -24.184 1.00 72.13 H new ATOM 0 HD11 LEU A 30 -7.757 -4.430 -24.443 1.00 54.12 H new ATOM 0 HD12 LEU A 30 -7.005 -4.793 -26.015 1.00 54.12 H new ATOM 0 HD13 LEU A 30 -8.427 -5.716 -25.474 1.00 54.12 H new ATOM 0 HD21 LEU A 30 -7.504 -5.989 -22.548 1.00 2.31 H new ATOM 0 HD22 LEU A 30 -8.165 -7.336 -23.506 1.00 2.31 H new ATOM 0 HD23 LEU A 30 -6.567 -7.490 -22.736 1.00 2.31 H new ATOM 511 N ALA A 31 -4.443 -8.857 -27.548 1.00 10.02 N ATOM 512 CA ALA A 31 -3.242 -9.620 -27.862 1.00 62.43 C ATOM 513 C ALA A 31 -2.400 -8.909 -28.916 1.00 24.30 C ATOM 514 O ALA A 31 -1.171 -8.900 -28.841 1.00 3.41 O ATOM 515 CB ALA A 31 -3.614 -11.018 -28.336 1.00 5.20 C ATOM 0 H ALA A 31 -5.316 -9.363 -27.697 1.00 10.02 H new ATOM 0 HA ALA A 31 -2.646 -9.703 -26.953 1.00 62.43 H new ATOM 0 HB1 ALA A 31 -2.707 -11.577 -28.567 1.00 5.20 H new ATOM 0 HB2 ALA A 31 -4.168 -11.533 -27.551 1.00 5.20 H new ATOM 0 HB3 ALA A 31 -4.234 -10.946 -29.230 1.00 5.20 H new ATOM 521 N LYS A 32 -3.068 -8.315 -29.899 1.00 1.14 N ATOM 522 CA LYS A 32 -2.382 -7.600 -30.968 1.00 63.33 C ATOM 523 C LYS A 32 -1.587 -6.422 -30.413 1.00 73.33 C ATOM 524 O LYS A 32 -0.639 -5.949 -31.040 1.00 20.11 O ATOM 525 CB LYS A 32 -3.390 -7.105 -32.007 1.00 51.33 C ATOM 526 CG LYS A 32 -3.969 -8.213 -32.870 1.00 12.14 C ATOM 527 CD LYS A 32 -5.410 -7.924 -33.255 1.00 73.12 C ATOM 528 CE LYS A 32 -5.528 -6.626 -34.040 1.00 31.35 C ATOM 529 NZ LYS A 32 -6.729 -6.617 -34.919 1.00 75.04 N ATOM 0 H LYS A 32 -4.085 -8.315 -29.977 1.00 1.14 H new ATOM 0 HA LYS A 32 -1.687 -8.291 -31.445 1.00 63.33 H new ATOM 0 HB2 LYS A 32 -4.204 -6.592 -31.495 1.00 51.33 H new ATOM 0 HB3 LYS A 32 -2.905 -6.371 -32.650 1.00 51.33 H new ATOM 0 HG2 LYS A 32 -3.366 -8.326 -33.771 1.00 12.14 H new ATOM 0 HG3 LYS A 32 -3.918 -9.159 -32.331 1.00 12.14 H new ATOM 0 HD2 LYS A 32 -5.800 -8.748 -33.852 1.00 73.12 H new ATOM 0 HD3 LYS A 32 -6.023 -7.863 -32.356 1.00 73.12 H new ATOM 0 HE2 LYS A 32 -5.579 -5.786 -33.347 1.00 31.35 H new ATOM 0 HE3 LYS A 32 -4.633 -6.486 -34.646 1.00 31.35 H new ATOM 0 HZ1 LYS A 32 -6.774 -5.716 -35.437 1.00 75.04 H new ATOM 0 HZ2 LYS A 32 -6.669 -7.403 -35.597 1.00 75.04 H new ATOM 0 HZ3 LYS A 32 -7.585 -6.725 -34.338 1.00 75.04 H new ATOM 543 N LYS A 33 -1.979 -5.954 -29.233 1.00 52.34 N ATOM 544 CA LYS A 33 -1.303 -4.833 -28.592 1.00 4.24 C ATOM 545 C LYS A 33 -0.007 -5.288 -27.926 1.00 55.35 C ATOM 546 O LYS A 33 0.985 -4.560 -27.916 1.00 44.33 O ATOM 547 CB LYS A 33 -2.220 -4.183 -27.554 1.00 14.12 C ATOM 548 CG LYS A 33 -3.642 -3.972 -28.046 1.00 43.52 C ATOM 549 CD LYS A 33 -4.364 -2.914 -27.228 1.00 43.24 C ATOM 550 CE LYS A 33 -4.252 -1.540 -27.871 1.00 52.13 C ATOM 551 NZ LYS A 33 -4.294 -0.449 -26.859 1.00 15.31 N ATOM 0 H LYS A 33 -2.762 -6.334 -28.701 1.00 52.34 H new ATOM 0 HA LYS A 33 -1.059 -4.101 -29.362 1.00 4.24 H new ATOM 0 HB2 LYS A 33 -2.242 -4.806 -26.660 1.00 14.12 H new ATOM 0 HB3 LYS A 33 -1.799 -3.221 -27.261 1.00 14.12 H new ATOM 0 HG2 LYS A 33 -3.625 -3.674 -29.094 1.00 43.52 H new ATOM 0 HG3 LYS A 33 -4.190 -4.912 -27.991 1.00 43.52 H new ATOM 0 HD2 LYS A 33 -5.415 -3.185 -27.127 1.00 43.24 H new ATOM 0 HD3 LYS A 33 -3.945 -2.882 -26.222 1.00 43.24 H new ATOM 0 HE2 LYS A 33 -3.321 -1.477 -28.434 1.00 52.13 H new ATOM 0 HE3 LYS A 33 -5.065 -1.405 -28.584 1.00 52.13 H new ATOM 0 HZ1 LYS A 33 -4.215 0.471 -27.337 1.00 15.31 H new ATOM 0 HZ2 LYS A 33 -5.193 -0.493 -26.339 1.00 15.31 H new ATOM 0 HZ3 LYS A 33 -3.503 -0.562 -26.193 1.00 15.31 H new ATOM 565 N TYR A 34 -0.024 -6.495 -27.373 1.00 74.35 N ATOM 566 CA TYR A 34 1.149 -7.047 -26.706 1.00 14.45 C ATOM 567 C TYR A 34 1.813 -8.117 -27.566 1.00 51.01 C ATOM 568 O TYR A 34 2.542 -8.972 -27.062 1.00 13.13 O ATOM 569 CB TYR A 34 0.759 -7.636 -25.349 1.00 71.30 C ATOM 570 CG TYR A 34 0.112 -6.636 -24.417 1.00 61.44 C ATOM 571 CD1 TYR A 34 0.876 -5.892 -23.526 1.00 61.45 C ATOM 572 CD2 TYR A 34 -1.263 -6.436 -24.427 1.00 63.21 C ATOM 573 CE1 TYR A 34 0.289 -4.978 -22.673 1.00 25.11 C ATOM 574 CE2 TYR A 34 -1.858 -5.523 -23.578 1.00 64.12 C ATOM 575 CZ TYR A 34 -1.077 -4.797 -22.703 1.00 15.21 C ATOM 576 OH TYR A 34 -1.667 -3.887 -21.855 1.00 25.34 O ATOM 0 H TYR A 34 -0.837 -7.110 -27.373 1.00 74.35 H new ATOM 0 HA TYR A 34 1.863 -6.237 -26.552 1.00 14.45 H new ATOM 0 HB2 TYR A 34 0.073 -8.468 -25.507 1.00 71.30 H new ATOM 0 HB3 TYR A 34 1.649 -8.043 -24.870 1.00 71.30 H new ATOM 0 HD1 TYR A 34 1.947 -6.031 -23.500 1.00 61.45 H new ATOM 0 HD2 TYR A 34 -1.877 -7.004 -25.110 1.00 63.21 H new ATOM 0 HE1 TYR A 34 0.897 -4.408 -21.986 1.00 25.11 H new ATOM 0 HE2 TYR A 34 -2.928 -5.379 -23.599 1.00 64.12 H new ATOM 0 HH TYR A 34 -2.636 -3.881 -22.004 1.00 25.34 H new ATOM 586 N HIS A 35 1.556 -8.063 -28.869 1.00 51.12 N ATOM 587 CA HIS A 35 2.129 -9.026 -29.802 1.00 63.51 C ATOM 588 C HIS A 35 3.653 -8.946 -29.798 1.00 31.42 C ATOM 589 O HIS A 35 4.245 -7.956 -29.368 1.00 65.34 O ATOM 590 CB HIS A 35 1.598 -8.779 -31.214 1.00 71.33 C ATOM 591 CG HIS A 35 0.595 -9.797 -31.664 1.00 24.22 C ATOM 592 ND1 HIS A 35 -0.191 -10.639 -30.953 1.00 62.44 N flip ATOM 593 CD2 HIS A 35 0.312 -10.039 -32.991 1.00 54.32 C flip ATOM 594 CE1 HIS A 35 -0.929 -11.366 -31.855 1.00 3.41 C flip ATOM 595 NE2 HIS A 35 -0.607 -10.985 -33.078 1.00 1.40 N flip ATOM 0 H HIS A 35 0.955 -7.362 -29.303 1.00 51.12 H new ATOM 0 HA HIS A 35 1.834 -10.025 -29.481 1.00 63.51 H new ATOM 0 HB2 HIS A 35 1.142 -7.790 -31.254 1.00 71.33 H new ATOM 0 HB3 HIS A 35 2.435 -8.773 -31.912 1.00 71.33 H new ATOM 0 HD1 HIS A 35 -0.228 -10.719 -29.937 1.00 62.44 H new ATOM 0 HD2 HIS A 35 0.770 -9.534 -33.829 1.00 54.32 H new ATOM 0 HE1 HIS A 35 -1.655 -12.126 -31.605 1.00 3.41 H new ATOM 603 N PRO A 36 4.303 -10.013 -30.286 1.00 45.11 N ATOM 604 CA PRO A 36 5.766 -10.087 -30.349 1.00 61.41 C ATOM 605 C PRO A 36 6.351 -9.134 -31.385 1.00 41.40 C ATOM 606 O PRO A 36 7.552 -8.863 -31.386 1.00 22.53 O ATOM 607 CB PRO A 36 6.030 -11.541 -30.751 1.00 3.42 C ATOM 608 CG PRO A 36 4.796 -11.965 -31.470 1.00 25.23 C ATOM 609 CD PRO A 36 3.661 -11.228 -30.815 1.00 23.03 C ATOM 0 HA PRO A 36 6.230 -9.800 -29.405 1.00 61.41 H new ATOM 0 HB2 PRO A 36 6.909 -11.622 -31.391 1.00 3.42 H new ATOM 0 HB3 PRO A 36 6.214 -12.166 -29.877 1.00 3.42 H new ATOM 0 HG2 PRO A 36 4.859 -11.721 -32.531 1.00 25.23 H new ATOM 0 HG3 PRO A 36 4.654 -13.043 -31.399 1.00 25.23 H new ATOM 0 HD2 PRO A 36 2.873 -10.988 -31.529 1.00 23.03 H new ATOM 0 HD3 PRO A 36 3.203 -11.819 -30.021 1.00 23.03 H new ATOM 617 N ASP A 37 5.495 -8.626 -32.265 1.00 61.31 N ATOM 618 CA ASP A 37 5.927 -7.701 -33.306 1.00 1.30 C ATOM 619 C ASP A 37 6.283 -6.342 -32.711 1.00 52.32 C ATOM 620 O ASP A 37 7.024 -5.563 -33.312 1.00 55.14 O ATOM 621 CB ASP A 37 4.832 -7.539 -34.361 1.00 14.31 C ATOM 622 CG ASP A 37 5.375 -7.048 -35.689 1.00 34.32 C ATOM 623 OD1 ASP A 37 4.561 -6.721 -36.579 1.00 22.45 O ATOM 624 OD2 ASP A 37 6.613 -6.991 -35.838 1.00 11.30 O ATOM 0 H ASP A 37 4.498 -8.839 -32.278 1.00 61.31 H new ATOM 0 HA ASP A 37 6.817 -8.115 -33.779 1.00 1.30 H new ATOM 0 HB2 ASP A 37 4.329 -8.495 -34.508 1.00 14.31 H new ATOM 0 HB3 ASP A 37 4.082 -6.837 -33.997 1.00 14.31 H new ATOM 629 N THR A 38 5.749 -6.062 -31.526 1.00 42.11 N ATOM 630 CA THR A 38 6.008 -4.797 -30.851 1.00 1.42 C ATOM 631 C THR A 38 6.883 -5.000 -29.619 1.00 42.43 C ATOM 632 O THR A 38 7.064 -4.085 -28.817 1.00 51.42 O ATOM 633 CB THR A 38 4.697 -4.108 -30.427 1.00 42.51 C ATOM 634 OG1 THR A 38 4.141 -4.772 -29.287 1.00 10.41 O ATOM 635 CG2 THR A 38 3.689 -4.115 -31.566 1.00 42.14 C ATOM 0 H THR A 38 5.134 -6.695 -31.014 1.00 42.11 H new ATOM 0 HA THR A 38 6.531 -4.160 -31.564 1.00 1.42 H new ATOM 0 HB THR A 38 4.923 -3.073 -30.170 1.00 42.51 H new ATOM 0 HG1 THR A 38 4.246 -5.741 -29.389 1.00 10.41 H new ATOM 0 HG21 THR A 38 2.771 -3.623 -31.243 1.00 42.14 H new ATOM 0 HG22 THR A 38 4.104 -3.583 -32.422 1.00 42.14 H new ATOM 0 HG23 THR A 38 3.468 -5.144 -31.850 1.00 42.14 H new ATOM 643 N ASN A 39 7.425 -6.205 -29.476 1.00 41.23 N ATOM 644 CA ASN A 39 8.282 -6.528 -28.341 1.00 43.44 C ATOM 645 C ASN A 39 9.746 -6.244 -28.667 1.00 73.42 C ATOM 646 O ASN A 39 10.647 -6.649 -27.932 1.00 13.41 O ATOM 647 CB ASN A 39 8.111 -7.996 -27.947 1.00 72.04 C ATOM 648 CG ASN A 39 6.997 -8.198 -26.939 1.00 13.45 C ATOM 649 OD1 ASN A 39 7.158 -8.921 -25.955 1.00 51.33 O ATOM 650 ND2 ASN A 39 5.858 -7.557 -27.179 1.00 24.34 N ATOM 0 H ASN A 39 7.286 -6.974 -30.132 1.00 41.23 H new ATOM 0 HA ASN A 39 7.986 -5.897 -27.503 1.00 43.44 H new ATOM 0 HB2 ASN A 39 7.902 -8.587 -28.839 1.00 72.04 H new ATOM 0 HB3 ASN A 39 9.047 -8.369 -27.530 1.00 72.04 H new ATOM 0 HD21 ASN A 39 5.073 -7.654 -26.535 1.00 24.34 H new ATOM 0 HD22 ASN A 39 5.769 -6.968 -28.007 1.00 24.34 H new ATOM 657 N LYS A 40 9.975 -5.546 -29.774 1.00 62.53 N ATOM 658 CA LYS A 40 11.328 -5.206 -30.198 1.00 62.42 C ATOM 659 C LYS A 40 11.991 -4.265 -29.198 1.00 42.41 C ATOM 660 O LYS A 40 13.175 -4.405 -28.889 1.00 73.14 O ATOM 661 CB LYS A 40 11.303 -4.559 -31.585 1.00 32.32 C ATOM 662 CG LYS A 40 11.378 -5.560 -32.725 1.00 31.33 C ATOM 663 CD LYS A 40 10.011 -6.137 -33.051 1.00 75.12 C ATOM 664 CE LYS A 40 10.003 -7.654 -32.934 1.00 51.40 C ATOM 665 NZ LYS A 40 10.944 -8.289 -33.897 1.00 60.04 N ATOM 0 H LYS A 40 9.241 -5.205 -30.394 1.00 62.53 H new ATOM 0 HA LYS A 40 11.910 -6.127 -30.244 1.00 62.42 H new ATOM 0 HB2 LYS A 40 10.390 -3.973 -31.687 1.00 32.32 H new ATOM 0 HB3 LYS A 40 12.139 -3.864 -31.667 1.00 32.32 H new ATOM 0 HG2 LYS A 40 11.790 -5.075 -33.610 1.00 31.33 H new ATOM 0 HG3 LYS A 40 12.060 -6.367 -32.458 1.00 31.33 H new ATOM 0 HD2 LYS A 40 9.267 -5.715 -32.376 1.00 75.12 H new ATOM 0 HD3 LYS A 40 9.725 -5.848 -34.062 1.00 75.12 H new ATOM 0 HE2 LYS A 40 10.274 -7.941 -31.918 1.00 51.40 H new ATOM 0 HE3 LYS A 40 8.994 -8.027 -33.112 1.00 51.40 H new ATOM 0 HZ1 LYS A 40 10.660 -9.276 -34.061 1.00 60.04 H new ATOM 0 HZ2 LYS A 40 10.923 -7.769 -34.797 1.00 60.04 H new ATOM 0 HZ3 LYS A 40 11.908 -8.267 -33.507 1.00 60.04 H new ATOM 679 N ASP A 41 11.221 -3.307 -28.695 1.00 1.54 N ATOM 680 CA ASP A 41 11.733 -2.343 -27.727 1.00 63.20 C ATOM 681 C ASP A 41 10.976 -2.444 -26.407 1.00 11.13 C ATOM 682 O ASP A 41 11.088 -1.569 -25.547 1.00 73.52 O ATOM 683 CB ASP A 41 11.626 -0.923 -28.284 1.00 10.32 C ATOM 684 CG ASP A 41 10.192 -0.437 -28.360 1.00 33.44 C ATOM 685 OD1 ASP A 41 9.970 0.782 -28.211 1.00 11.33 O ATOM 686 OD2 ASP A 41 9.291 -1.277 -28.567 1.00 31.41 O ATOM 0 H ASP A 41 10.240 -3.177 -28.941 1.00 1.54 H new ATOM 0 HA ASP A 41 12.782 -2.574 -27.542 1.00 63.20 H new ATOM 0 HB2 ASP A 41 12.203 -0.245 -27.656 1.00 10.32 H new ATOM 0 HB3 ASP A 41 12.070 -0.892 -29.279 1.00 10.32 H new ATOM 691 N ASP A 42 10.205 -3.515 -26.253 1.00 52.42 N ATOM 692 CA ASP A 42 9.428 -3.730 -25.038 1.00 4.23 C ATOM 693 C ASP A 42 9.499 -5.189 -24.599 1.00 70.21 C ATOM 694 O ASP A 42 8.598 -5.986 -24.861 1.00 14.12 O ATOM 695 CB ASP A 42 7.971 -3.321 -25.259 1.00 3.34 C ATOM 696 CG ASP A 42 7.327 -2.773 -24.001 1.00 13.35 C ATOM 697 OD1 ASP A 42 7.986 -2.792 -22.940 1.00 54.01 O ATOM 698 OD2 ASP A 42 6.163 -2.325 -24.076 1.00 70.32 O ATOM 0 H ASP A 42 10.101 -4.248 -26.955 1.00 52.42 H new ATOM 0 HA ASP A 42 9.855 -3.111 -24.249 1.00 4.23 H new ATOM 0 HB2 ASP A 42 7.923 -2.568 -26.046 1.00 3.34 H new ATOM 0 HB3 ASP A 42 7.403 -4.184 -25.608 1.00 3.34 H new ATOM 703 N PRO A 43 10.596 -5.550 -23.916 1.00 52.15 N ATOM 704 CA PRO A 43 10.811 -6.915 -23.428 1.00 33.14 C ATOM 705 C PRO A 43 9.863 -7.279 -22.290 1.00 24.15 C ATOM 706 O PRO A 43 9.811 -8.430 -21.855 1.00 4.11 O ATOM 707 CB PRO A 43 12.258 -6.890 -22.931 1.00 64.20 C ATOM 708 CG PRO A 43 12.519 -5.463 -22.593 1.00 53.24 C ATOM 709 CD PRO A 43 11.710 -4.653 -23.569 1.00 4.52 C ATOM 0 HA PRO A 43 10.625 -7.659 -24.202 1.00 33.14 H new ATOM 0 HB2 PRO A 43 12.389 -7.533 -22.061 1.00 64.20 H new ATOM 0 HB3 PRO A 43 12.946 -7.247 -23.697 1.00 64.20 H new ATOM 0 HG2 PRO A 43 12.225 -5.245 -21.566 1.00 53.24 H new ATOM 0 HG3 PRO A 43 13.580 -5.230 -22.677 1.00 53.24 H new ATOM 0 HD2 PRO A 43 11.354 -3.724 -23.123 1.00 4.52 H new ATOM 0 HD3 PRO A 43 12.295 -4.381 -24.447 1.00 4.52 H new ATOM 717 N LYS A 44 9.115 -6.292 -21.810 1.00 54.44 N ATOM 718 CA LYS A 44 8.167 -6.507 -20.724 1.00 31.45 C ATOM 719 C LYS A 44 6.771 -6.796 -21.268 1.00 25.13 C ATOM 720 O LYS A 44 5.934 -7.377 -20.578 1.00 11.52 O ATOM 721 CB LYS A 44 8.125 -5.284 -19.806 1.00 12.35 C ATOM 722 CG LYS A 44 9.237 -5.260 -18.772 1.00 23.43 C ATOM 723 CD LYS A 44 9.321 -3.914 -18.072 1.00 55.14 C ATOM 724 CE LYS A 44 10.508 -3.851 -17.124 1.00 41.21 C ATOM 725 NZ LYS A 44 11.801 -3.766 -17.859 1.00 14.12 N ATOM 0 H LYS A 44 9.147 -5.333 -22.157 1.00 54.44 H new ATOM 0 HA LYS A 44 8.500 -7.372 -20.151 1.00 31.45 H new ATOM 0 HB2 LYS A 44 8.187 -4.382 -20.414 1.00 12.35 H new ATOM 0 HB3 LYS A 44 7.163 -5.258 -19.293 1.00 12.35 H new ATOM 0 HG2 LYS A 44 9.066 -6.044 -18.035 1.00 23.43 H new ATOM 0 HG3 LYS A 44 10.189 -5.479 -19.255 1.00 23.43 H new ATOM 0 HD2 LYS A 44 9.405 -3.121 -18.815 1.00 55.14 H new ATOM 0 HD3 LYS A 44 8.401 -3.734 -17.517 1.00 55.14 H new ATOM 0 HE2 LYS A 44 10.405 -2.985 -16.470 1.00 41.21 H new ATOM 0 HE3 LYS A 44 10.510 -4.735 -16.486 1.00 41.21 H new ATOM 0 HZ1 LYS A 44 12.573 -3.589 -17.185 1.00 14.12 H new ATOM 0 HZ2 LYS A 44 11.976 -4.661 -18.358 1.00 14.12 H new ATOM 0 HZ3 LYS A 44 11.758 -2.988 -18.548 1.00 14.12 H new ATOM 739 N ALA A 45 6.529 -6.388 -22.509 1.00 64.22 N ATOM 740 CA ALA A 45 5.237 -6.607 -23.147 1.00 12.54 C ATOM 741 C ALA A 45 4.868 -8.086 -23.148 1.00 65.34 C ATOM 742 O ALA A 45 3.706 -8.448 -22.963 1.00 43.11 O ATOM 743 CB ALA A 45 5.250 -6.062 -24.567 1.00 63.34 C ATOM 0 H ALA A 45 7.211 -5.904 -23.093 1.00 64.22 H new ATOM 0 HA ALA A 45 4.481 -6.072 -22.572 1.00 12.54 H new ATOM 0 HB1 ALA A 45 4.279 -6.233 -25.031 1.00 63.34 H new ATOM 0 HB2 ALA A 45 5.458 -4.992 -24.544 1.00 63.34 H new ATOM 0 HB3 ALA A 45 6.022 -6.570 -25.145 1.00 63.34 H new ATOM 749 N LYS A 46 5.865 -8.939 -23.360 1.00 23.04 N ATOM 750 CA LYS A 46 5.647 -10.380 -23.385 1.00 63.53 C ATOM 751 C LYS A 46 5.037 -10.862 -22.073 1.00 11.21 C ATOM 752 O LYS A 46 4.205 -11.768 -22.061 1.00 73.12 O ATOM 753 CB LYS A 46 6.966 -11.112 -23.645 1.00 41.12 C ATOM 754 CG LYS A 46 7.982 -10.951 -22.527 1.00 53.44 C ATOM 755 CD LYS A 46 9.335 -11.520 -22.917 1.00 44.05 C ATOM 756 CE LYS A 46 10.043 -10.632 -23.930 1.00 73.30 C ATOM 757 NZ LYS A 46 10.876 -11.425 -24.876 1.00 54.14 N ATOM 0 H LYS A 46 6.832 -8.656 -23.517 1.00 23.04 H new ATOM 0 HA LYS A 46 4.949 -10.602 -24.193 1.00 63.53 H new ATOM 0 HB2 LYS A 46 6.761 -12.173 -23.788 1.00 41.12 H new ATOM 0 HB3 LYS A 46 7.400 -10.743 -24.574 1.00 41.12 H new ATOM 0 HG2 LYS A 46 8.088 -9.895 -22.280 1.00 53.44 H new ATOM 0 HG3 LYS A 46 7.620 -11.453 -21.630 1.00 53.44 H new ATOM 0 HD2 LYS A 46 9.956 -11.626 -22.028 1.00 44.05 H new ATOM 0 HD3 LYS A 46 9.204 -12.518 -23.335 1.00 44.05 H new ATOM 0 HE2 LYS A 46 9.304 -10.059 -24.490 1.00 73.30 H new ATOM 0 HE3 LYS A 46 10.673 -9.914 -23.406 1.00 73.30 H new ATOM 0 HZ1 LYS A 46 11.342 -10.784 -25.550 1.00 54.14 H new ATOM 0 HZ2 LYS A 46 11.598 -11.953 -24.345 1.00 54.14 H new ATOM 0 HZ3 LYS A 46 10.271 -12.093 -25.395 1.00 54.14 H new ATOM 771 N GLU A 47 5.455 -10.248 -20.970 1.00 65.24 N ATOM 772 CA GLU A 47 4.948 -10.615 -19.653 1.00 64.04 C ATOM 773 C GLU A 47 3.484 -10.213 -19.503 1.00 30.11 C ATOM 774 O GLU A 47 2.686 -10.940 -18.911 1.00 21.05 O ATOM 775 CB GLU A 47 5.786 -9.953 -18.557 1.00 54.43 C ATOM 776 CG GLU A 47 5.377 -10.357 -17.151 1.00 21.41 C ATOM 777 CD GLU A 47 6.452 -10.060 -16.123 1.00 35.10 C ATOM 778 OE1 GLU A 47 6.473 -8.928 -15.596 1.00 73.14 O ATOM 779 OE2 GLU A 47 7.271 -10.961 -15.845 1.00 42.51 O ATOM 0 H GLU A 47 6.143 -9.495 -20.963 1.00 65.24 H new ATOM 0 HA GLU A 47 5.021 -11.698 -19.552 1.00 64.04 H new ATOM 0 HB2 GLU A 47 6.835 -10.209 -18.709 1.00 54.43 H new ATOM 0 HB3 GLU A 47 5.705 -8.870 -18.653 1.00 54.43 H new ATOM 0 HG2 GLU A 47 4.462 -9.831 -16.877 1.00 21.41 H new ATOM 0 HG3 GLU A 47 5.149 -11.423 -17.135 1.00 21.41 H new ATOM 786 N LYS A 48 3.137 -9.050 -20.043 1.00 45.41 N ATOM 787 CA LYS A 48 1.770 -8.549 -19.971 1.00 31.01 C ATOM 788 C LYS A 48 0.844 -9.363 -20.869 1.00 63.32 C ATOM 789 O LYS A 48 -0.324 -9.574 -20.545 1.00 34.23 O ATOM 790 CB LYS A 48 1.723 -7.074 -20.376 1.00 11.14 C ATOM 791 CG LYS A 48 2.693 -6.199 -19.601 1.00 23.44 C ATOM 792 CD LYS A 48 2.364 -6.180 -18.117 1.00 65.42 C ATOM 793 CE LYS A 48 3.359 -5.334 -17.337 1.00 32.53 C ATOM 794 NZ LYS A 48 3.452 -5.760 -15.913 1.00 32.52 N ATOM 0 H LYS A 48 3.785 -8.436 -20.536 1.00 45.41 H new ATOM 0 HA LYS A 48 1.428 -8.648 -18.941 1.00 31.01 H new ATOM 0 HB2 LYS A 48 1.943 -6.991 -21.440 1.00 11.14 H new ATOM 0 HB3 LYS A 48 0.711 -6.698 -20.229 1.00 11.14 H new ATOM 0 HG2 LYS A 48 3.709 -6.566 -19.745 1.00 23.44 H new ATOM 0 HG3 LYS A 48 2.662 -5.183 -19.994 1.00 23.44 H new ATOM 0 HD2 LYS A 48 1.358 -5.787 -17.971 1.00 65.42 H new ATOM 0 HD3 LYS A 48 2.368 -7.199 -17.729 1.00 65.42 H new ATOM 0 HE2 LYS A 48 4.342 -5.407 -17.803 1.00 32.53 H new ATOM 0 HE3 LYS A 48 3.061 -4.287 -17.384 1.00 32.53 H new ATOM 0 HZ1 LYS A 48 4.140 -5.160 -15.415 1.00 32.52 H new ATOM 0 HZ2 LYS A 48 2.520 -5.666 -15.461 1.00 32.52 H new ATOM 0 HZ3 LYS A 48 3.761 -6.752 -15.867 1.00 32.52 H new ATOM 808 N PHE A 49 1.375 -9.820 -21.999 1.00 13.30 N ATOM 809 CA PHE A 49 0.596 -10.612 -22.944 1.00 11.51 C ATOM 810 C PHE A 49 0.113 -11.907 -22.299 1.00 75.20 C ATOM 811 O PHE A 49 -0.968 -12.405 -22.615 1.00 61.22 O ATOM 812 CB PHE A 49 1.431 -10.928 -24.187 1.00 14.43 C ATOM 813 CG PHE A 49 0.771 -11.903 -25.119 1.00 64.04 C ATOM 814 CD1 PHE A 49 -0.028 -11.456 -26.159 1.00 15.24 C ATOM 815 CD2 PHE A 49 0.951 -13.267 -24.957 1.00 21.25 C ATOM 816 CE1 PHE A 49 -0.636 -12.351 -27.019 1.00 53.30 C ATOM 817 CE2 PHE A 49 0.346 -14.167 -25.814 1.00 3.31 C ATOM 818 CZ PHE A 49 -0.449 -13.708 -26.846 1.00 34.14 C ATOM 0 H PHE A 49 2.341 -9.655 -22.282 1.00 13.30 H new ATOM 0 HA PHE A 49 -0.275 -10.027 -23.239 1.00 11.51 H new ATOM 0 HB2 PHE A 49 1.632 -10.002 -24.725 1.00 14.43 H new ATOM 0 HB3 PHE A 49 2.395 -11.331 -23.875 1.00 14.43 H new ATOM 0 HD1 PHE A 49 -0.177 -10.396 -26.299 1.00 15.24 H new ATOM 0 HD2 PHE A 49 1.571 -13.631 -24.152 1.00 21.25 H new ATOM 0 HE1 PHE A 49 -1.257 -11.989 -27.825 1.00 53.30 H new ATOM 0 HE2 PHE A 49 0.495 -15.228 -25.677 1.00 3.31 H new ATOM 0 HZ PHE A 49 -0.923 -14.409 -27.516 1.00 34.14 H new ATOM 828 N SER A 50 0.921 -12.448 -21.394 1.00 24.24 N ATOM 829 CA SER A 50 0.579 -13.688 -20.707 1.00 24.23 C ATOM 830 C SER A 50 -0.664 -13.505 -19.841 1.00 43.14 C ATOM 831 O SER A 50 -1.459 -14.429 -19.677 1.00 31.45 O ATOM 832 CB SER A 50 1.752 -14.157 -19.843 1.00 35.44 C ATOM 833 OG SER A 50 1.610 -15.522 -19.488 1.00 74.13 O ATOM 0 H SER A 50 1.818 -12.047 -21.119 1.00 24.24 H new ATOM 0 HA SER A 50 0.366 -14.446 -21.461 1.00 24.23 H new ATOM 0 HB2 SER A 50 2.687 -14.014 -20.385 1.00 35.44 H new ATOM 0 HB3 SER A 50 1.810 -13.548 -18.941 1.00 35.44 H new ATOM 0 HG SER A 50 2.372 -15.798 -18.938 1.00 74.13 H new ATOM 839 N GLN A 51 -0.823 -12.305 -19.292 1.00 23.33 N ATOM 840 CA GLN A 51 -1.968 -12.000 -18.443 1.00 31.44 C ATOM 841 C GLN A 51 -3.268 -12.066 -19.238 1.00 1.52 C ATOM 842 O GLN A 51 -4.322 -12.407 -18.699 1.00 4.33 O ATOM 843 CB GLN A 51 -1.810 -10.615 -17.814 1.00 44.24 C ATOM 844 CG GLN A 51 -0.591 -10.491 -16.915 1.00 4.53 C ATOM 845 CD GLN A 51 -0.509 -11.600 -15.885 1.00 75.53 C ATOM 846 OE1 GLN A 51 0.263 -12.547 -16.036 1.00 24.23 O ATOM 847 NE2 GLN A 51 -1.309 -11.490 -14.831 1.00 0.12 N ATOM 0 H GLN A 51 -0.174 -11.529 -19.420 1.00 23.33 H new ATOM 0 HA GLN A 51 -2.010 -12.747 -17.651 1.00 31.44 H new ATOM 0 HB2 GLN A 51 -1.743 -9.870 -18.607 1.00 44.24 H new ATOM 0 HB3 GLN A 51 -2.704 -10.384 -17.234 1.00 44.24 H new ATOM 0 HG2 GLN A 51 0.310 -10.503 -17.528 1.00 4.53 H new ATOM 0 HG3 GLN A 51 -0.617 -9.528 -16.405 1.00 4.53 H new ATOM 0 HE21 GLN A 51 -1.933 -10.688 -14.746 1.00 0.12 H new ATOM 0 HE22 GLN A 51 -1.299 -12.208 -14.106 1.00 0.12 H new ATOM 856 N LEU A 52 -3.187 -11.736 -20.522 1.00 62.02 N ATOM 857 CA LEU A 52 -4.357 -11.757 -21.393 1.00 12.43 C ATOM 858 C LEU A 52 -4.936 -13.164 -21.494 1.00 62.30 C ATOM 859 O LEU A 52 -6.130 -13.372 -21.283 1.00 53.21 O ATOM 860 CB LEU A 52 -3.990 -11.242 -22.786 1.00 33.32 C ATOM 861 CG LEU A 52 -3.321 -9.869 -22.839 1.00 44.32 C ATOM 862 CD1 LEU A 52 -2.651 -9.653 -24.188 1.00 22.45 C ATOM 863 CD2 LEU A 52 -4.336 -8.769 -22.565 1.00 31.25 C ATOM 0 H LEU A 52 -2.323 -11.451 -20.983 1.00 62.02 H new ATOM 0 HA LEU A 52 -5.114 -11.104 -20.959 1.00 12.43 H new ATOM 0 HB2 LEU A 52 -3.325 -11.966 -23.256 1.00 33.32 H new ATOM 0 HB3 LEU A 52 -4.898 -11.205 -23.389 1.00 33.32 H new ATOM 0 HG LEU A 52 -2.555 -9.830 -22.065 1.00 44.32 H new ATOM 0 HD11 LEU A 52 -2.180 -8.670 -24.207 1.00 22.45 H new ATOM 0 HD12 LEU A 52 -1.894 -10.421 -24.345 1.00 22.45 H new ATOM 0 HD13 LEU A 52 -3.398 -9.713 -24.979 1.00 22.45 H new ATOM 0 HD21 LEU A 52 -3.841 -7.799 -22.607 1.00 31.25 H new ATOM 0 HD22 LEU A 52 -5.125 -8.807 -23.316 1.00 31.25 H new ATOM 0 HD23 LEU A 52 -4.770 -8.913 -21.575 1.00 31.25 H new ATOM 875 N ALA A 53 -4.080 -14.129 -21.816 1.00 42.52 N ATOM 876 CA ALA A 53 -4.505 -15.517 -21.941 1.00 21.20 C ATOM 877 C ALA A 53 -4.937 -16.083 -20.592 1.00 44.51 C ATOM 878 O ALA A 53 -5.866 -16.885 -20.515 1.00 14.24 O ATOM 879 CB ALA A 53 -3.386 -16.360 -22.535 1.00 74.22 C ATOM 0 H ALA A 53 -3.088 -13.974 -21.995 1.00 42.52 H new ATOM 0 HA ALA A 53 -5.364 -15.549 -22.611 1.00 21.20 H new ATOM 0 HB1 ALA A 53 -3.717 -17.395 -22.623 1.00 74.22 H new ATOM 0 HB2 ALA A 53 -3.127 -15.977 -23.522 1.00 74.22 H new ATOM 0 HB3 ALA A 53 -2.511 -16.313 -21.886 1.00 74.22 H new ATOM 885 N GLU A 54 -4.255 -15.659 -19.532 1.00 64.15 N ATOM 886 CA GLU A 54 -4.568 -16.126 -18.187 1.00 0.51 C ATOM 887 C GLU A 54 -5.988 -15.730 -17.791 1.00 24.12 C ATOM 888 O GLU A 54 -6.771 -16.563 -17.336 1.00 11.21 O ATOM 889 CB GLU A 54 -3.568 -15.555 -17.179 1.00 41.44 C ATOM 890 CG GLU A 54 -2.261 -16.327 -17.115 1.00 2.30 C ATOM 891 CD GLU A 54 -2.466 -17.795 -16.798 1.00 22.31 C ATOM 892 OE1 GLU A 54 -3.556 -18.149 -16.303 1.00 20.52 O ATOM 893 OE2 GLU A 54 -1.535 -18.590 -17.046 1.00 31.53 O ATOM 0 H GLU A 54 -3.483 -14.994 -19.579 1.00 64.15 H new ATOM 0 HA GLU A 54 -4.497 -17.214 -18.182 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -3.355 -14.518 -17.438 1.00 41.44 H new ATOM 0 HB3 GLU A 54 -4.025 -15.549 -16.190 1.00 41.44 H new ATOM 0 HG2 GLU A 54 -1.741 -16.234 -18.069 1.00 2.30 H new ATOM 0 HG3 GLU A 54 -1.617 -15.882 -16.357 1.00 2.30 H new ATOM 900 N ALA A 55 -6.311 -14.453 -17.967 1.00 23.00 N ATOM 901 CA ALA A 55 -7.635 -13.947 -17.630 1.00 13.32 C ATOM 902 C ALA A 55 -8.682 -14.443 -18.622 1.00 23.12 C ATOM 903 O ALA A 55 -9.773 -14.858 -18.232 1.00 14.02 O ATOM 904 CB ALA A 55 -7.624 -12.426 -17.588 1.00 51.24 C ATOM 0 H ALA A 55 -5.673 -13.750 -18.341 1.00 23.00 H new ATOM 0 HA ALA A 55 -7.900 -14.325 -16.643 1.00 13.32 H new ATOM 0 HB1 ALA A 55 -8.620 -12.062 -17.335 1.00 51.24 H new ATOM 0 HB2 ALA A 55 -6.912 -12.088 -16.835 1.00 51.24 H new ATOM 0 HB3 ALA A 55 -7.332 -12.037 -18.564 1.00 51.24 H new ATOM 910 N TYR A 56 -8.342 -14.397 -19.905 1.00 70.11 N ATOM 911 CA TYR A 56 -9.254 -14.839 -20.953 1.00 61.44 C ATOM 912 C TYR A 56 -9.667 -16.292 -20.738 1.00 74.15 C ATOM 913 O TYR A 56 -10.758 -16.703 -21.133 1.00 13.42 O ATOM 914 CB TYR A 56 -8.600 -14.681 -22.327 1.00 71.52 C ATOM 915 CG TYR A 56 -9.316 -15.430 -23.428 1.00 74.33 C ATOM 916 CD1 TYR A 56 -10.427 -14.884 -24.058 1.00 54.34 C ATOM 917 CD2 TYR A 56 -8.881 -16.684 -23.839 1.00 70.23 C ATOM 918 CE1 TYR A 56 -11.085 -15.565 -25.064 1.00 52.22 C ATOM 919 CE2 TYR A 56 -9.532 -17.372 -24.845 1.00 43.14 C ATOM 920 CZ TYR A 56 -10.633 -16.808 -25.454 1.00 75.33 C ATOM 921 OH TYR A 56 -11.285 -17.489 -26.457 1.00 31.30 O ATOM 0 H TYR A 56 -7.442 -14.058 -20.244 1.00 70.11 H new ATOM 0 HA TYR A 56 -10.147 -14.216 -20.909 1.00 61.44 H new ATOM 0 HB2 TYR A 56 -8.564 -13.622 -22.583 1.00 71.52 H new ATOM 0 HB3 TYR A 56 -7.569 -15.031 -22.272 1.00 71.52 H new ATOM 0 HD1 TYR A 56 -10.783 -13.910 -23.756 1.00 54.34 H new ATOM 0 HD2 TYR A 56 -8.019 -17.129 -23.364 1.00 70.23 H new ATOM 0 HE1 TYR A 56 -11.948 -15.126 -25.542 1.00 52.22 H new ATOM 0 HE2 TYR A 56 -9.181 -18.346 -25.153 1.00 43.14 H new ATOM 0 HH TYR A 56 -10.840 -18.348 -26.612 1.00 31.30 H new ATOM 931 N GLU A 57 -8.787 -17.064 -20.110 1.00 21.45 N ATOM 932 CA GLU A 57 -9.060 -18.472 -19.842 1.00 0.41 C ATOM 933 C GLU A 57 -10.282 -18.627 -18.942 1.00 12.05 C ATOM 934 O GLU A 57 -11.134 -19.485 -19.174 1.00 63.13 O ATOM 935 CB GLU A 57 -7.845 -19.135 -19.190 1.00 0.21 C ATOM 936 CG GLU A 57 -6.878 -19.749 -20.188 1.00 73.52 C ATOM 937 CD GLU A 57 -7.301 -21.137 -20.631 1.00 51.45 C ATOM 938 OE1 GLU A 57 -6.862 -22.120 -19.999 1.00 74.20 O ATOM 939 OE2 GLU A 57 -8.070 -21.239 -21.610 1.00 42.21 O ATOM 0 H GLU A 57 -7.879 -16.739 -19.777 1.00 21.45 H new ATOM 0 HA GLU A 57 -9.266 -18.963 -20.793 1.00 0.41 H new ATOM 0 HB2 GLU A 57 -7.315 -18.394 -18.592 1.00 0.21 H new ATOM 0 HB3 GLU A 57 -8.189 -19.911 -18.505 1.00 0.21 H new ATOM 0 HG2 GLU A 57 -6.802 -19.100 -21.061 1.00 73.52 H new ATOM 0 HG3 GLU A 57 -5.885 -19.801 -19.742 1.00 73.52 H new ATOM 946 N VAL A 58 -10.361 -17.791 -17.911 1.00 52.43 N ATOM 947 CA VAL A 58 -11.478 -17.834 -16.976 1.00 14.35 C ATOM 948 C VAL A 58 -12.739 -17.244 -17.597 1.00 73.15 C ATOM 949 O VAL A 58 -13.829 -17.805 -17.470 1.00 4.34 O ATOM 950 CB VAL A 58 -11.154 -17.070 -15.678 1.00 44.11 C ATOM 951 CG1 VAL A 58 -12.304 -17.183 -14.690 1.00 11.25 C ATOM 952 CG2 VAL A 58 -9.861 -17.587 -15.065 1.00 43.35 C ATOM 0 H VAL A 58 -9.664 -17.076 -17.703 1.00 52.43 H new ATOM 0 HA VAL A 58 -11.650 -18.884 -16.738 1.00 14.35 H new ATOM 0 HB VAL A 58 -11.019 -16.016 -15.921 1.00 44.11 H new ATOM 0 HG11 VAL A 58 -12.056 -16.637 -13.780 1.00 11.25 H new ATOM 0 HG12 VAL A 58 -13.206 -16.761 -15.132 1.00 11.25 H new ATOM 0 HG13 VAL A 58 -12.475 -18.232 -14.449 1.00 11.25 H new ATOM 0 HG21 VAL A 58 -9.647 -17.036 -14.149 1.00 43.35 H new ATOM 0 HG22 VAL A 58 -9.966 -18.647 -14.835 1.00 43.35 H new ATOM 0 HG23 VAL A 58 -9.042 -17.448 -15.771 1.00 43.35 H new ATOM 962 N LEU A 59 -12.585 -16.110 -18.272 1.00 2.03 N ATOM 963 CA LEU A 59 -13.711 -15.443 -18.915 1.00 73.03 C ATOM 964 C LEU A 59 -14.153 -16.202 -20.162 1.00 53.14 C ATOM 965 O LEU A 59 -15.182 -15.887 -20.761 1.00 44.22 O ATOM 966 CB LEU A 59 -13.336 -14.007 -19.285 1.00 2.13 C ATOM 967 CG LEU A 59 -13.778 -12.923 -18.301 1.00 22.34 C ATOM 968 CD1 LEU A 59 -13.329 -13.269 -16.889 1.00 45.53 C ATOM 969 CD2 LEU A 59 -13.230 -11.567 -18.720 1.00 13.33 C ATOM 0 H LEU A 59 -11.691 -15.633 -18.388 1.00 2.03 H new ATOM 0 HA LEU A 59 -14.541 -15.424 -18.209 1.00 73.03 H new ATOM 0 HB2 LEU A 59 -12.253 -13.952 -19.393 1.00 2.13 H new ATOM 0 HB3 LEU A 59 -13.765 -13.781 -20.261 1.00 2.13 H new ATOM 0 HG LEU A 59 -14.867 -12.871 -18.312 1.00 22.34 H new ATOM 0 HD11 LEU A 59 -13.652 -12.487 -16.202 1.00 45.53 H new ATOM 0 HD12 LEU A 59 -13.770 -14.220 -16.590 1.00 45.53 H new ATOM 0 HD13 LEU A 59 -12.242 -13.349 -16.862 1.00 45.53 H new ATOM 0 HD21 LEU A 59 -13.555 -10.808 -18.008 1.00 13.33 H new ATOM 0 HD22 LEU A 59 -12.141 -11.605 -18.739 1.00 13.33 H new ATOM 0 HD23 LEU A 59 -13.602 -11.316 -19.713 1.00 13.33 H new ATOM 981 N SER A 60 -13.370 -17.205 -20.547 1.00 53.22 N ATOM 982 CA SER A 60 -13.680 -18.008 -21.724 1.00 70.30 C ATOM 983 C SER A 60 -14.849 -18.949 -21.447 1.00 62.03 C ATOM 984 O SER A 60 -15.426 -19.527 -22.368 1.00 55.33 O ATOM 985 CB SER A 60 -12.453 -18.814 -22.155 1.00 20.12 C ATOM 986 OG SER A 60 -12.808 -19.829 -23.079 1.00 4.55 O ATOM 0 H SER A 60 -12.517 -17.481 -20.061 1.00 53.22 H new ATOM 0 HA SER A 60 -13.964 -17.332 -22.531 1.00 70.30 H new ATOM 0 HB2 SER A 60 -11.717 -18.149 -22.606 1.00 20.12 H new ATOM 0 HB3 SER A 60 -11.983 -19.263 -21.280 1.00 20.12 H new ATOM 0 HG SER A 60 -13.783 -19.859 -23.174 1.00 4.55 H new ATOM 992 N ASP A 61 -15.191 -19.097 -20.172 1.00 73.54 N ATOM 993 CA ASP A 61 -16.292 -19.967 -19.773 1.00 4.05 C ATOM 994 C ASP A 61 -17.137 -19.309 -18.687 1.00 13.22 C ATOM 995 O ASP A 61 -16.609 -18.802 -17.698 1.00 21.33 O ATOM 996 CB ASP A 61 -15.754 -21.309 -19.274 1.00 61.21 C ATOM 997 CG ASP A 61 -16.648 -22.471 -19.661 1.00 12.22 C ATOM 998 OD1 ASP A 61 -16.216 -23.632 -19.501 1.00 42.33 O ATOM 999 OD2 ASP A 61 -17.781 -22.219 -20.122 1.00 43.02 O ATOM 0 H ASP A 61 -14.723 -18.627 -19.398 1.00 73.54 H new ATOM 0 HA ASP A 61 -16.922 -20.139 -20.646 1.00 4.05 H new ATOM 0 HB2 ASP A 61 -14.756 -21.471 -19.681 1.00 61.21 H new ATOM 0 HB3 ASP A 61 -15.654 -21.277 -18.189 1.00 61.21 H new ATOM 1004 N GLU A 62 -18.453 -19.320 -18.880 1.00 45.20 N ATOM 1005 CA GLU A 62 -19.370 -18.722 -17.918 1.00 13.25 C ATOM 1006 C GLU A 62 -19.137 -19.287 -16.519 1.00 63.04 C ATOM 1007 O GLU A 62 -19.127 -18.550 -15.533 1.00 64.03 O ATOM 1008 CB GLU A 62 -20.820 -18.965 -18.342 1.00 60.43 C ATOM 1009 CG GLU A 62 -21.129 -20.422 -18.643 1.00 73.35 C ATOM 1010 CD GLU A 62 -22.544 -20.625 -19.151 1.00 64.43 C ATOM 1011 OE1 GLU A 62 -22.723 -20.723 -20.384 1.00 4.55 O ATOM 1012 OE2 GLU A 62 -23.471 -20.687 -18.317 1.00 40.04 O ATOM 0 H GLU A 62 -18.907 -19.736 -19.693 1.00 45.20 H new ATOM 0 HA GLU A 62 -19.181 -17.649 -17.894 1.00 13.25 H new ATOM 0 HB2 GLU A 62 -21.484 -18.617 -17.551 1.00 60.43 H new ATOM 0 HB3 GLU A 62 -21.037 -18.366 -19.227 1.00 60.43 H new ATOM 0 HG2 GLU A 62 -20.423 -20.793 -19.386 1.00 73.35 H new ATOM 0 HG3 GLU A 62 -20.982 -21.015 -17.740 1.00 73.35 H new ATOM 1019 N VAL A 63 -18.950 -20.601 -16.442 1.00 42.22 N ATOM 1020 CA VAL A 63 -18.716 -21.266 -15.166 1.00 62.11 C ATOM 1021 C VAL A 63 -17.478 -20.707 -14.473 1.00 53.45 C ATOM 1022 O VAL A 63 -17.531 -20.306 -13.310 1.00 54.15 O ATOM 1023 CB VAL A 63 -18.546 -22.786 -15.348 1.00 44.03 C ATOM 1024 CG1 VAL A 63 -18.481 -23.482 -13.997 1.00 71.04 C ATOM 1025 CG2 VAL A 63 -19.676 -23.351 -16.195 1.00 14.42 C ATOM 0 H VAL A 63 -18.956 -21.226 -17.248 1.00 42.22 H new ATOM 0 HA VAL A 63 -19.592 -21.077 -14.546 1.00 62.11 H new ATOM 0 HB VAL A 63 -17.606 -22.969 -15.869 1.00 44.03 H new ATOM 0 HG11 VAL A 63 -18.361 -24.555 -14.146 1.00 71.04 H new ATOM 0 HG12 VAL A 63 -17.633 -23.097 -13.430 1.00 71.04 H new ATOM 0 HG13 VAL A 63 -19.402 -23.293 -13.446 1.00 71.04 H new ATOM 0 HG21 VAL A 63 -19.540 -24.426 -16.313 1.00 14.42 H new ATOM 0 HG22 VAL A 63 -20.630 -23.158 -15.704 1.00 14.42 H new ATOM 0 HG23 VAL A 63 -19.669 -22.874 -17.175 1.00 14.42 H new ATOM 1035 N LYS A 64 -16.363 -20.681 -15.196 1.00 34.31 N ATOM 1036 CA LYS A 64 -15.111 -20.169 -14.653 1.00 22.20 C ATOM 1037 C LYS A 64 -15.243 -18.697 -14.275 1.00 61.32 C ATOM 1038 O LYS A 64 -14.830 -18.286 -13.191 1.00 14.23 O ATOM 1039 CB LYS A 64 -13.980 -20.346 -15.669 1.00 74.42 C ATOM 1040 CG LYS A 64 -13.533 -21.788 -15.836 1.00 24.12 C ATOM 1041 CD LYS A 64 -12.067 -21.875 -16.227 1.00 70.15 C ATOM 1042 CE LYS A 64 -11.159 -21.443 -15.087 1.00 4.51 C ATOM 1043 NZ LYS A 64 -9.733 -21.779 -15.355 1.00 20.41 N ATOM 0 H LYS A 64 -16.301 -21.009 -16.160 1.00 34.31 H new ATOM 0 HA LYS A 64 -14.875 -20.737 -13.753 1.00 22.20 H new ATOM 0 HB2 LYS A 64 -14.307 -19.962 -16.635 1.00 74.42 H new ATOM 0 HB3 LYS A 64 -13.126 -19.743 -15.359 1.00 74.42 H new ATOM 0 HG2 LYS A 64 -13.695 -22.330 -14.905 1.00 24.12 H new ATOM 0 HG3 LYS A 64 -14.143 -22.273 -16.598 1.00 24.12 H new ATOM 0 HD2 LYS A 64 -11.827 -22.898 -16.517 1.00 70.15 H new ATOM 0 HD3 LYS A 64 -11.884 -21.246 -17.098 1.00 70.15 H new ATOM 0 HE2 LYS A 64 -11.256 -20.368 -14.933 1.00 4.51 H new ATOM 0 HE3 LYS A 64 -11.479 -21.927 -14.164 1.00 4.51 H new ATOM 0 HZ1 LYS A 64 -9.147 -21.468 -14.554 1.00 20.41 H new ATOM 0 HZ2 LYS A 64 -9.636 -22.807 -15.477 1.00 20.41 H new ATOM 0 HZ3 LYS A 64 -9.420 -21.297 -16.221 1.00 20.41 H new ATOM 1057 N ARG A 65 -15.822 -17.910 -15.176 1.00 4.43 N ATOM 1058 CA ARG A 65 -16.008 -16.484 -14.936 1.00 52.30 C ATOM 1059 C ARG A 65 -16.863 -16.248 -13.694 1.00 71.42 C ATOM 1060 O ARG A 65 -16.526 -15.427 -12.842 1.00 14.54 O ATOM 1061 CB ARG A 65 -16.661 -15.822 -16.151 1.00 12.22 C ATOM 1062 CG ARG A 65 -16.859 -14.323 -15.995 1.00 13.14 C ATOM 1063 CD ARG A 65 -18.135 -13.856 -16.677 1.00 53.42 C ATOM 1064 NE ARG A 65 -18.743 -12.723 -15.984 1.00 53.23 N ATOM 1065 CZ ARG A 65 -19.299 -12.810 -14.781 1.00 4.43 C ATOM 1066 NH1 ARG A 65 -19.322 -13.970 -14.140 1.00 32.10 N ATOM 1067 NH2 ARG A 65 -19.832 -11.734 -14.215 1.00 45.25 N ATOM 0 H ARG A 65 -16.170 -18.235 -16.078 1.00 4.43 H new ATOM 0 HA ARG A 65 -15.027 -16.038 -14.771 1.00 52.30 H new ATOM 0 HB2 ARG A 65 -16.045 -16.009 -17.031 1.00 12.22 H new ATOM 0 HB3 ARG A 65 -17.628 -16.291 -16.333 1.00 12.22 H new ATOM 0 HG2 ARG A 65 -16.897 -14.068 -14.936 1.00 13.14 H new ATOM 0 HG3 ARG A 65 -16.004 -13.796 -16.419 1.00 13.14 H new ATOM 0 HD2 ARG A 65 -17.914 -13.575 -17.707 1.00 53.42 H new ATOM 0 HD3 ARG A 65 -18.847 -14.680 -16.718 1.00 53.42 H new ATOM 0 HE ARG A 65 -18.740 -11.815 -16.449 1.00 53.23 H new ATOM 0 HH11 ARG A 65 -18.912 -14.799 -14.571 1.00 32.10 H new ATOM 0 HH12 ARG A 65 -19.750 -14.034 -13.216 1.00 32.10 H new ATOM 0 HH21 ARG A 65 -19.815 -10.839 -14.704 1.00 45.25 H new ATOM 0 HH22 ARG A 65 -20.259 -11.802 -13.291 1.00 45.25 H new ATOM 1081 N LYS A 66 -17.971 -16.975 -13.599 1.00 75.01 N ATOM 1082 CA LYS A 66 -18.875 -16.847 -12.462 1.00 75.22 C ATOM 1083 C LYS A 66 -18.183 -17.261 -11.167 1.00 52.24 C ATOM 1084 O LYS A 66 -18.335 -16.607 -10.136 1.00 51.42 O ATOM 1085 CB LYS A 66 -20.126 -17.702 -12.680 1.00 21.10 C ATOM 1086 CG LYS A 66 -21.055 -17.159 -13.751 1.00 53.44 C ATOM 1087 CD LYS A 66 -21.774 -15.904 -13.283 1.00 25.34 C ATOM 1088 CE LYS A 66 -22.238 -15.056 -14.457 1.00 34.53 C ATOM 1089 NZ LYS A 66 -23.585 -15.470 -14.941 1.00 3.24 N ATOM 0 H LYS A 66 -18.265 -17.659 -14.296 1.00 75.01 H new ATOM 0 HA LYS A 66 -19.167 -15.800 -12.378 1.00 75.22 H new ATOM 0 HB2 LYS A 66 -19.822 -18.713 -12.953 1.00 21.10 H new ATOM 0 HB3 LYS A 66 -20.673 -17.777 -11.740 1.00 21.10 H new ATOM 0 HG2 LYS A 66 -20.483 -16.937 -14.652 1.00 53.44 H new ATOM 0 HG3 LYS A 66 -21.788 -17.921 -14.019 1.00 53.44 H new ATOM 0 HD2 LYS A 66 -22.633 -16.182 -12.672 1.00 25.34 H new ATOM 0 HD3 LYS A 66 -21.109 -15.317 -12.650 1.00 25.34 H new ATOM 0 HE2 LYS A 66 -22.265 -14.008 -14.160 1.00 34.53 H new ATOM 0 HE3 LYS A 66 -21.518 -15.138 -15.271 1.00 34.53 H new ATOM 0 HZ1 LYS A 66 -23.866 -14.869 -15.741 1.00 3.24 H new ATOM 0 HZ2 LYS A 66 -23.553 -16.463 -15.248 1.00 3.24 H new ATOM 0 HZ3 LYS A 66 -24.277 -15.368 -14.171 1.00 3.24 H new ATOM 1103 N GLN A 67 -17.422 -18.349 -11.230 1.00 15.11 N ATOM 1104 CA GLN A 67 -16.707 -18.848 -10.062 1.00 3.03 C ATOM 1105 C GLN A 67 -15.748 -17.793 -9.519 1.00 61.31 C ATOM 1106 O GLN A 67 -15.592 -17.647 -8.307 1.00 11.34 O ATOM 1107 CB GLN A 67 -15.936 -20.121 -10.415 1.00 70.21 C ATOM 1108 CG GLN A 67 -16.801 -21.371 -10.433 1.00 54.12 C ATOM 1109 CD GLN A 67 -17.533 -21.593 -9.124 1.00 70.12 C ATOM 1110 OE1 GLN A 67 -16.988 -22.176 -8.186 1.00 51.22 O ATOM 1111 NE2 GLN A 67 -18.775 -21.128 -9.054 1.00 20.54 N ATOM 0 H GLN A 67 -17.285 -18.901 -12.077 1.00 15.11 H new ATOM 0 HA GLN A 67 -17.441 -19.078 -9.289 1.00 3.03 H new ATOM 0 HB2 GLN A 67 -15.473 -19.996 -11.394 1.00 70.21 H new ATOM 0 HB3 GLN A 67 -15.129 -20.258 -9.696 1.00 70.21 H new ATOM 0 HG2 GLN A 67 -17.527 -21.294 -11.242 1.00 54.12 H new ATOM 0 HG3 GLN A 67 -16.176 -22.238 -10.647 1.00 54.12 H new ATOM 0 HE21 GLN A 67 -19.187 -20.651 -9.856 1.00 20.54 H new ATOM 0 HE22 GLN A 67 -19.317 -21.248 -8.198 1.00 20.54 H new ATOM 1120 N TYR A 68 -15.108 -17.061 -10.424 1.00 62.52 N ATOM 1121 CA TYR A 68 -14.162 -16.022 -10.036 1.00 41.13 C ATOM 1122 C TYR A 68 -14.889 -14.814 -9.453 1.00 22.25 C ATOM 1123 O TYR A 68 -14.418 -14.193 -8.500 1.00 21.15 O ATOM 1124 CB TYR A 68 -13.322 -15.593 -11.240 1.00 43.42 C ATOM 1125 CG TYR A 68 -12.390 -14.439 -10.947 1.00 45.45 C ATOM 1126 CD1 TYR A 68 -11.273 -14.610 -10.138 1.00 71.10 C ATOM 1127 CD2 TYR A 68 -12.625 -13.177 -11.479 1.00 54.02 C ATOM 1128 CE1 TYR A 68 -10.419 -13.559 -9.867 1.00 41.32 C ATOM 1129 CE2 TYR A 68 -11.776 -12.120 -11.215 1.00 22.21 C ATOM 1130 CZ TYR A 68 -10.674 -12.316 -10.408 1.00 52.13 C ATOM 1131 OH TYR A 68 -9.826 -11.265 -10.142 1.00 34.55 O ATOM 0 H TYR A 68 -15.227 -17.168 -11.431 1.00 62.52 H new ATOM 0 HA TYR A 68 -13.504 -16.432 -9.270 1.00 41.13 H new ATOM 0 HB2 TYR A 68 -12.735 -16.444 -11.585 1.00 43.42 H new ATOM 0 HB3 TYR A 68 -13.988 -15.313 -12.056 1.00 43.42 H new ATOM 0 HD1 TYR A 68 -11.069 -15.582 -9.714 1.00 71.10 H new ATOM 0 HD2 TYR A 68 -13.487 -13.020 -12.110 1.00 54.02 H new ATOM 0 HE1 TYR A 68 -9.556 -13.709 -9.235 1.00 41.32 H new ATOM 0 HE2 TYR A 68 -11.973 -11.146 -11.638 1.00 22.21 H new ATOM 0 HH TYR A 68 -8.918 -11.605 -9.998 1.00 34.55 H new ATOM 1141 N ASP A 69 -16.039 -14.488 -10.031 1.00 71.02 N ATOM 1142 CA ASP A 69 -16.834 -13.356 -9.569 1.00 22.12 C ATOM 1143 C ASP A 69 -17.371 -13.607 -8.163 1.00 60.33 C ATOM 1144 O ASP A 69 -17.588 -12.671 -7.395 1.00 32.24 O ATOM 1145 CB ASP A 69 -17.993 -13.092 -10.531 1.00 45.24 C ATOM 1146 CG ASP A 69 -18.605 -11.719 -10.337 1.00 40.41 C ATOM 1147 OD1 ASP A 69 -19.654 -11.626 -9.666 1.00 31.14 O ATOM 1148 OD2 ASP A 69 -18.035 -10.736 -10.856 1.00 23.43 O ATOM 0 H ASP A 69 -16.442 -14.992 -10.821 1.00 71.02 H new ATOM 0 HA ASP A 69 -16.189 -12.478 -9.541 1.00 22.12 H new ATOM 0 HB2 ASP A 69 -17.638 -13.187 -11.557 1.00 45.24 H new ATOM 0 HB3 ASP A 69 -18.761 -13.852 -10.388 1.00 45.24 H new ATOM 1153 N ALA A 70 -17.584 -14.877 -7.835 1.00 61.40 N ATOM 1154 CA ALA A 70 -18.095 -15.252 -6.522 1.00 42.22 C ATOM 1155 C ALA A 70 -17.159 -14.780 -5.414 1.00 71.52 C ATOM 1156 O ALA A 70 -17.607 -14.331 -4.359 1.00 34.40 O ATOM 1157 CB ALA A 70 -18.293 -16.758 -6.443 1.00 31.30 C ATOM 0 H ALA A 70 -17.411 -15.664 -8.461 1.00 61.40 H new ATOM 0 HA ALA A 70 -19.059 -14.763 -6.381 1.00 42.22 H new ATOM 0 HB1 ALA A 70 -18.675 -17.024 -5.457 1.00 31.30 H new ATOM 0 HB2 ALA A 70 -19.006 -17.072 -7.205 1.00 31.30 H new ATOM 0 HB3 ALA A 70 -17.340 -17.260 -6.610 1.00 31.30 H new ATOM 1163 N TYR A 71 -15.858 -14.886 -5.660 1.00 71.32 N ATOM 1164 CA TYR A 71 -14.859 -14.474 -4.682 1.00 11.44 C ATOM 1165 C TYR A 71 -14.341 -13.072 -4.990 1.00 21.22 C ATOM 1166 O TYR A 71 -13.218 -12.720 -4.630 1.00 54.12 O ATOM 1167 CB TYR A 71 -13.696 -15.466 -4.660 1.00 24.42 C ATOM 1168 CG TYR A 71 -13.942 -16.668 -3.776 1.00 25.12 C ATOM 1169 CD1 TYR A 71 -13.842 -16.570 -2.393 1.00 63.03 C ATOM 1170 CD2 TYR A 71 -14.273 -17.902 -4.323 1.00 4.44 C ATOM 1171 CE1 TYR A 71 -14.065 -17.665 -1.582 1.00 23.45 C ATOM 1172 CE2 TYR A 71 -14.499 -19.002 -3.519 1.00 2.14 C ATOM 1173 CZ TYR A 71 -14.394 -18.879 -2.149 1.00 5.12 C ATOM 1174 OH TYR A 71 -14.617 -19.973 -1.345 1.00 3.14 O ATOM 0 H TYR A 71 -15.471 -15.254 -6.529 1.00 71.32 H new ATOM 0 HA TYR A 71 -15.333 -14.459 -3.701 1.00 11.44 H new ATOM 0 HB2 TYR A 71 -13.501 -15.807 -5.677 1.00 24.42 H new ATOM 0 HB3 TYR A 71 -12.797 -14.952 -4.318 1.00 24.42 H new ATOM 0 HD1 TYR A 71 -13.586 -15.621 -1.945 1.00 63.03 H new ATOM 0 HD2 TYR A 71 -14.355 -18.002 -5.395 1.00 4.44 H new ATOM 0 HE1 TYR A 71 -13.982 -17.572 -0.509 1.00 23.45 H new ATOM 0 HE2 TYR A 71 -14.757 -19.953 -3.960 1.00 2.14 H new ATOM 0 HH TYR A 71 -14.839 -20.748 -1.902 1.00 3.14 H new ATOM 1184 N GLY A 72 -15.169 -12.276 -5.659 1.00 12.21 N ATOM 1185 CA GLY A 72 -14.779 -10.922 -6.005 1.00 4.54 C ATOM 1186 C GLY A 72 -14.462 -10.080 -4.784 1.00 52.02 C ATOM 1187 O GLY A 72 -14.375 -10.597 -3.671 1.00 22.43 O ATOM 0 H GLY A 72 -16.103 -12.545 -5.968 1.00 12.21 H new ATOM 0 HA2 GLY A 72 -13.906 -10.954 -6.657 1.00 4.54 H new ATOM 0 HA3 GLY A 72 -15.582 -10.449 -6.570 1.00 4.54 H new ATOM 1191 N SER A 73 -14.288 -8.779 -4.993 1.00 53.14 N ATOM 1192 CA SER A 73 -13.974 -7.865 -3.902 1.00 1.52 C ATOM 1193 C SER A 73 -15.214 -7.574 -3.062 1.00 53.14 C ATOM 1194 O SER A 73 -16.320 -7.990 -3.406 1.00 4.31 O ATOM 1195 CB SER A 73 -13.399 -6.558 -4.452 1.00 51.04 C ATOM 1196 OG SER A 73 -12.344 -6.809 -5.365 1.00 35.32 O ATOM 0 H SER A 73 -14.359 -8.334 -5.908 1.00 53.14 H new ATOM 0 HA SER A 73 -13.229 -8.342 -3.265 1.00 1.52 H new ATOM 0 HB2 SER A 73 -14.187 -5.991 -4.948 1.00 51.04 H new ATOM 0 HB3 SER A 73 -13.034 -5.943 -3.629 1.00 51.04 H new ATOM 0 HG SER A 73 -11.995 -5.958 -5.703 1.00 35.32 H new TER 1202 SER A 73