USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 GLN : amide:sc= -2.22 K(o=-3.2,f=-5.2!) USER MOD Set 1.2: A 11 TYR OH : rot 77:sc= -0.962 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 9 SER OG : rot 72:sc= 1.06 USER MOD Single : A 10 GLN : amide:sc= -2.66! C(o=-2.7!,f=-2.8!) USER MOD Single : A 12 ASN : amide:sc= -2.54! C(o=-2.5!,f=-2.2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -121:sc= -2.4! (180deg=-6.31!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 9:sc= 0.565! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -165:sc= -2.69! USER MOD Single : A 40 SER OG : rot 170:sc= -0.467 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -150:sc= -1.42 USER MOD Single : A 46 MET CE :methyl -146:sc= -4.24! (180deg=-8.46!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 38:sc= 1.18 USER MOD Single : A 58 LYS NZ :NH3+ -118:sc= -2.08! (180deg=-3.09!) USER MOD Single : A 59 MET CE :methyl -124:sc= -2.23 (180deg=-7.72!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -9.47! C(o=-9.5!,f=-15!) USER MOD Single : A 67 SER OG : rot 109:sc= -3.03! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -170:sc= -4.9! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc=-0.00127 X(o=-0.0013,f=-0.16) USER MOD Single : A 80 THR OG1 : rot 89:sc= 0.00246 USER MOD Single : A 82 ASN : amide:sc= -3.14! C(o=-3.1!,f=-5!) USER MOD Single : A 86 THR OG1 : rot -5:sc= 1.08 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 0 -9.416 -12.080 -7.774 1.00 0.00 N ATOM 9 CA PRO A 0 -9.998 -11.493 -6.579 1.00 0.00 C ATOM 10 C PRO A 0 -10.905 -10.313 -6.933 1.00 0.00 C ATOM 11 O PRO A 0 -11.332 -10.176 -8.078 1.00 0.00 O ATOM 12 CB PRO A 0 -8.810 -11.093 -5.718 1.00 0.00 C ATOM 13 CG PRO A 0 -7.615 -11.043 -6.656 1.00 0.00 C ATOM 14 CD PRO A 0 -8.007 -11.737 -7.950 1.00 0.00 C ATOM 0 H2 PRO A 0 -9.941 -11.767 -8.591 1.00 0.00 H new ATOM 0 H3 PRO A 0 -9.511 -13.095 -7.729 1.00 0.00 H new ATOM 0 HA PRO A 0 -10.646 -12.186 -6.043 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -8.978 -10.125 -5.247 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -8.648 -11.814 -4.917 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -7.325 -10.010 -6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.754 -11.536 -6.204 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -7.863 -11.083 -8.810 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -7.401 -12.627 -8.122 1.00 0.00 H new ATOM 22 N MET A 1 -11.171 -9.490 -5.929 1.00 0.00 N ATOM 23 CA MET A 1 -12.019 -8.326 -6.121 1.00 0.00 C ATOM 24 C MET A 1 -11.318 -7.273 -6.981 1.00 0.00 C ATOM 25 O MET A 1 -11.963 -6.574 -7.761 1.00 0.00 O ATOM 26 CB MET A 1 -12.372 -7.722 -4.760 1.00 0.00 C ATOM 27 CG MET A 1 -13.475 -8.528 -4.072 1.00 0.00 C ATOM 28 SD MET A 1 -14.039 -7.669 -2.612 1.00 0.00 S ATOM 29 CE MET A 1 -13.904 -8.980 -1.409 1.00 0.00 C ATOM 0 H MET A 1 -10.814 -9.606 -4.981 1.00 0.00 H new ATOM 0 HA MET A 1 -12.927 -8.642 -6.635 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.485 -7.699 -4.127 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.698 -6.690 -4.890 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.308 -8.680 -4.759 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.100 -9.515 -3.801 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.220 -8.612 -0.433 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.541 -9.813 -1.706 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.869 -9.317 -1.352 1.00 0.00 H new ATOM 39 N GLU A 2 -10.007 -7.192 -6.810 1.00 0.00 N ATOM 40 CA GLU A 2 -9.211 -6.236 -7.561 1.00 0.00 C ATOM 41 C GLU A 2 -9.739 -4.817 -7.340 1.00 0.00 C ATOM 42 O GLU A 2 -10.843 -4.487 -7.771 1.00 0.00 O ATOM 43 CB GLU A 2 -9.192 -6.588 -9.050 1.00 0.00 C ATOM 44 CG GLU A 2 -9.257 -8.103 -9.256 1.00 0.00 C ATOM 45 CD GLU A 2 -9.271 -8.453 -10.745 1.00 0.00 C ATOM 46 OE1 GLU A 2 -10.092 -7.843 -11.464 1.00 0.00 O ATOM 47 OE2 GLU A 2 -8.462 -9.324 -11.131 1.00 0.00 O ATOM 0 H GLU A 2 -9.475 -7.773 -6.162 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.184 -6.282 -7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.036 -6.113 -9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.286 -6.193 -9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.401 -8.576 -8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.151 -8.501 -8.777 1.00 0.00 H new ATOM 54 N PHE A 3 -8.926 -4.015 -6.669 1.00 0.00 N ATOM 55 CA PHE A 3 -9.297 -2.639 -6.386 1.00 0.00 C ATOM 56 C PHE A 3 -8.475 -1.664 -7.232 1.00 0.00 C ATOM 57 O PHE A 3 -7.248 -1.742 -7.258 1.00 0.00 O ATOM 58 CB PHE A 3 -8.997 -2.390 -4.907 1.00 0.00 C ATOM 59 CG PHE A 3 -9.875 -3.199 -3.949 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.594 -4.507 -3.710 1.00 0.00 C ATOM 61 CD2 PHE A 3 -10.936 -2.608 -3.337 1.00 0.00 C ATOM 62 CE1 PHE A 3 -10.408 -5.258 -2.821 1.00 0.00 C ATOM 63 CE2 PHE A 3 -11.751 -3.358 -2.449 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.470 -4.667 -2.209 1.00 0.00 C ATOM 0 H PHE A 3 -8.011 -4.292 -6.313 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.350 -2.482 -6.620 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.951 -2.628 -4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.127 -1.329 -4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -8.751 -4.976 -4.196 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -11.158 -1.568 -3.527 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.184 -6.297 -2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.594 -2.889 -1.964 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.090 -5.237 -1.533 1.00 0.00 H new ATOM 74 N THR A 4 -9.185 -0.768 -7.902 1.00 0.00 N ATOM 75 CA THR A 4 -8.536 0.221 -8.746 1.00 0.00 C ATOM 76 C THR A 4 -8.004 1.378 -7.899 1.00 0.00 C ATOM 77 O THR A 4 -8.452 1.586 -6.773 1.00 0.00 O ATOM 78 CB THR A 4 -9.539 0.661 -9.815 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.482 1.455 -9.100 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.369 -0.506 -10.355 1.00 0.00 C ATOM 0 H THR A 4 -10.203 -0.706 -7.878 1.00 0.00 H new ATOM 0 HA THR A 4 -7.665 -0.199 -9.250 1.00 0.00 H new ATOM 0 HB THR A 4 -9.007 1.139 -10.637 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.168 1.783 -9.718 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.064 -0.139 -11.110 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.707 -1.248 -10.801 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.928 -0.963 -9.539 1.00 0.00 H new ATOM 88 N ALA A 5 -7.054 2.102 -8.474 1.00 0.00 N ATOM 89 CA ALA A 5 -6.456 3.233 -7.786 1.00 0.00 C ATOM 90 C ALA A 5 -7.561 4.178 -7.310 1.00 0.00 C ATOM 91 O ALA A 5 -7.403 4.867 -6.304 1.00 0.00 O ATOM 92 CB ALA A 5 -5.457 3.926 -8.716 1.00 0.00 C ATOM 0 H ALA A 5 -6.684 1.927 -9.408 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.906 2.900 -6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.008 4.775 -8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.676 3.221 -9.002 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.974 4.277 -9.609 1.00 0.00 H new ATOM 98 N GLU A 6 -8.656 4.179 -8.056 1.00 0.00 N ATOM 99 CA GLU A 6 -9.788 5.028 -7.723 1.00 0.00 C ATOM 100 C GLU A 6 -10.496 4.502 -6.473 1.00 0.00 C ATOM 101 O GLU A 6 -10.803 5.267 -5.560 1.00 0.00 O ATOM 102 CB GLU A 6 -10.759 5.134 -8.900 1.00 0.00 C ATOM 103 CG GLU A 6 -10.284 6.180 -9.910 1.00 0.00 C ATOM 104 CD GLU A 6 -9.902 5.526 -11.239 1.00 0.00 C ATOM 105 OE1 GLU A 6 -9.408 4.379 -11.185 1.00 0.00 O ATOM 106 OE2 GLU A 6 -10.114 6.186 -12.279 1.00 0.00 O ATOM 0 H GLU A 6 -8.784 3.606 -8.890 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.416 6.030 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.849 4.165 -9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.751 5.400 -8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.072 6.915 -10.076 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.426 6.718 -9.506 1.00 0.00 H new ATOM 113 N GLN A 7 -10.735 3.199 -6.472 1.00 0.00 N ATOM 114 CA GLN A 7 -11.401 2.561 -5.349 1.00 0.00 C ATOM 115 C GLN A 7 -10.451 2.461 -4.154 1.00 0.00 C ATOM 116 O GLN A 7 -10.881 2.545 -3.005 1.00 0.00 O ATOM 117 CB GLN A 7 -11.937 1.182 -5.740 1.00 0.00 C ATOM 118 CG GLN A 7 -13.443 1.088 -5.490 1.00 0.00 C ATOM 119 CD GLN A 7 -13.805 -0.235 -4.814 1.00 0.00 C ATOM 120 OE1 GLN A 7 -12.995 -1.138 -4.683 1.00 0.00 O ATOM 121 NE2 GLN A 7 -15.065 -0.301 -4.392 1.00 0.00 N ATOM 0 H GLN A 7 -10.479 2.567 -7.231 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.253 3.177 -5.060 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.727 0.991 -6.792 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -11.421 0.412 -5.167 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.764 1.920 -4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.978 1.176 -6.435 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.692 0.491 -4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.404 -1.144 -3.928 1.00 0.00 H new ATOM 130 N LEU A 8 -9.175 2.284 -4.467 1.00 0.00 N ATOM 131 CA LEU A 8 -8.160 2.172 -3.433 1.00 0.00 C ATOM 132 C LEU A 8 -7.833 3.565 -2.892 1.00 0.00 C ATOM 133 O LEU A 8 -7.371 3.703 -1.761 1.00 0.00 O ATOM 134 CB LEU A 8 -6.939 1.415 -3.961 1.00 0.00 C ATOM 135 CG LEU A 8 -5.702 1.427 -3.061 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.809 0.361 -1.969 1.00 0.00 C ATOM 137 CD2 LEU A 8 -4.423 1.276 -3.886 1.00 0.00 C ATOM 0 H LEU A 8 -8.821 2.215 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.533 1.584 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.227 0.378 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.665 1.837 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.651 2.395 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.917 0.391 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.689 0.555 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.897 -0.623 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.558 1.288 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.450 0.332 -4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.348 2.101 -4.595 1.00 0.00 H new ATOM 149 N SER A 9 -8.087 4.563 -3.726 1.00 0.00 N ATOM 150 CA SER A 9 -7.825 5.941 -3.345 1.00 0.00 C ATOM 151 C SER A 9 -8.960 6.464 -2.463 1.00 0.00 C ATOM 152 O SER A 9 -8.926 7.610 -2.016 1.00 0.00 O ATOM 153 CB SER A 9 -7.658 6.831 -4.578 1.00 0.00 C ATOM 154 OG SER A 9 -6.356 6.719 -5.145 1.00 0.00 O ATOM 0 H SER A 9 -8.471 4.445 -4.663 1.00 0.00 H new ATOM 0 HA SER A 9 -6.892 5.969 -2.781 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.403 6.559 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.846 7.869 -4.304 1.00 0.00 H new ATOM 0 HG SER A 9 -6.263 5.846 -5.580 1.00 0.00 H new ATOM 160 N GLN A 10 -9.939 5.600 -2.238 1.00 0.00 N ATOM 161 CA GLN A 10 -11.082 5.961 -1.417 1.00 0.00 C ATOM 162 C GLN A 10 -11.132 5.087 -0.162 1.00 0.00 C ATOM 163 O GLN A 10 -12.181 4.955 0.466 1.00 0.00 O ATOM 164 CB GLN A 10 -12.385 5.852 -2.212 1.00 0.00 C ATOM 165 CG GLN A 10 -12.453 4.528 -2.975 1.00 0.00 C ATOM 166 CD GLN A 10 -13.750 4.424 -3.779 1.00 0.00 C ATOM 167 OE1 GLN A 10 -13.830 4.817 -4.931 1.00 0.00 O ATOM 168 NE2 GLN A 10 -14.759 3.874 -3.109 1.00 0.00 N ATOM 0 H GLN A 10 -9.964 4.651 -2.610 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.968 7.000 -1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.236 5.930 -1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.458 6.684 -2.913 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.598 4.447 -3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.388 3.696 -2.273 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.624 3.566 -2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.668 3.760 -3.558 1.00 0.00 H new ATOM 177 N TYR A 11 -9.984 4.512 0.166 1.00 0.00 N ATOM 178 CA TYR A 11 -9.883 3.655 1.334 1.00 0.00 C ATOM 179 C TYR A 11 -8.604 3.949 2.121 1.00 0.00 C ATOM 180 O TYR A 11 -7.833 3.039 2.422 1.00 0.00 O ATOM 181 CB TYR A 11 -9.821 2.222 0.801 1.00 0.00 C ATOM 182 CG TYR A 11 -11.082 1.781 0.055 1.00 0.00 C ATOM 183 CD1 TYR A 11 -12.328 2.108 0.551 1.00 0.00 C ATOM 184 CD2 TYR A 11 -10.974 1.056 -1.115 1.00 0.00 C ATOM 185 CE1 TYR A 11 -13.514 1.693 -0.151 1.00 0.00 C ATOM 186 CE2 TYR A 11 -12.160 0.641 -1.817 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.372 0.980 -1.301 1.00 0.00 C ATOM 188 OH TYR A 11 -14.493 0.588 -1.964 1.00 0.00 O ATOM 0 H TYR A 11 -9.116 4.623 -0.357 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.728 3.817 2.003 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.965 2.131 0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.648 1.542 1.635 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.413 2.675 1.466 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.999 0.800 -1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.495 1.942 0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -12.089 0.073 -2.733 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.871 1.352 -2.448 1.00 0.00 H new ATOM 198 N ASN A 12 -8.419 5.223 2.433 1.00 0.00 N ATOM 199 CA ASN A 12 -7.247 5.648 3.179 1.00 0.00 C ATOM 200 C ASN A 12 -7.670 6.074 4.586 1.00 0.00 C ATOM 201 O ASN A 12 -6.887 6.678 5.318 1.00 0.00 O ATOM 202 CB ASN A 12 -6.570 6.844 2.507 1.00 0.00 C ATOM 203 CG ASN A 12 -7.323 8.141 2.809 1.00 0.00 C ATOM 204 OD1 ASN A 12 -7.419 8.584 3.942 1.00 0.00 O ATOM 205 ND2 ASN A 12 -7.849 8.724 1.735 1.00 0.00 N ATOM 0 H ASN A 12 -9.061 5.975 2.183 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.549 4.812 3.215 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.541 6.927 2.856 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.529 6.685 1.429 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -8.370 9.596 1.832 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -7.731 8.299 0.815 1.00 0.00 H new ATOM 212 N GLY A 13 -8.908 5.743 4.922 1.00 0.00 N ATOM 213 CA GLY A 13 -9.445 6.083 6.229 1.00 0.00 C ATOM 214 C GLY A 13 -9.721 7.585 6.334 1.00 0.00 C ATOM 215 O GLY A 13 -8.795 8.380 6.486 1.00 0.00 O ATOM 0 H GLY A 13 -9.555 5.243 4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.366 5.527 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.740 5.784 7.005 1.00 0.00 H new ATOM 219 N THR A 14 -10.998 7.927 6.249 1.00 0.00 N ATOM 220 CA THR A 14 -11.407 9.319 6.333 1.00 0.00 C ATOM 221 C THR A 14 -12.918 9.444 6.130 1.00 0.00 C ATOM 222 O THR A 14 -13.607 10.067 6.936 1.00 0.00 O ATOM 223 CB THR A 14 -10.589 10.114 5.314 1.00 0.00 C ATOM 224 OG1 THR A 14 -10.095 11.225 6.056 1.00 0.00 O ATOM 225 CG2 THR A 14 -11.462 10.749 4.230 1.00 0.00 C ATOM 0 H THR A 14 -11.763 7.264 6.123 1.00 0.00 H new ATOM 0 HA THR A 14 -11.209 9.731 7.323 1.00 0.00 H new ATOM 0 HB THR A 14 -9.852 9.458 4.849 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.551 11.793 5.471 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.832 11.301 3.533 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.000 9.968 3.692 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.177 11.430 4.691 1.00 0.00 H new ATOM 293 N PRO A 19 -13.353 1.505 4.206 1.00 0.00 N ATOM 294 CA PRO A 19 -12.302 0.605 4.650 1.00 0.00 C ATOM 295 C PRO A 19 -10.921 1.157 4.293 1.00 0.00 C ATOM 296 O PRO A 19 -10.798 2.017 3.422 1.00 0.00 O ATOM 297 CB PRO A 19 -12.607 -0.720 3.971 1.00 0.00 C ATOM 298 CG PRO A 19 -13.538 -0.392 2.816 1.00 0.00 C ATOM 299 CD PRO A 19 -14.054 1.023 3.020 1.00 0.00 C ATOM 0 HA PRO A 19 -12.279 0.486 5.733 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.693 -1.195 3.613 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.077 -1.416 4.666 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.010 -0.472 1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.367 -1.099 2.781 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.844 1.650 2.154 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.134 1.033 3.167 1.00 0.00 H new ATOM 307 N ILE A 20 -9.915 0.639 4.982 1.00 0.00 N ATOM 308 CA ILE A 20 -8.547 1.068 4.748 1.00 0.00 C ATOM 309 C ILE A 20 -7.805 -0.013 3.960 1.00 0.00 C ATOM 310 O ILE A 20 -7.592 -1.116 4.462 1.00 0.00 O ATOM 311 CB ILE A 20 -7.870 1.441 6.068 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.806 2.269 6.951 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.539 2.154 5.820 1.00 0.00 C ATOM 314 CD1 ILE A 20 -9.089 1.553 8.273 1.00 0.00 C ATOM 0 H ILE A 20 -10.020 -0.075 5.703 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.530 1.973 4.141 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.648 0.521 6.608 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.358 3.243 7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.743 2.451 6.424 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.079 2.408 6.775 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.873 1.497 5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.715 3.065 5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.757 2.163 8.882 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.559 0.590 8.072 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.153 1.395 8.809 1.00 0.00 H new ATOM 326 N TYR A 21 -7.431 0.341 2.740 1.00 0.00 N ATOM 327 CA TYR A 21 -6.718 -0.585 1.877 1.00 0.00 C ATOM 328 C TYR A 21 -5.474 0.072 1.276 1.00 0.00 C ATOM 329 O TYR A 21 -5.533 1.209 0.809 1.00 0.00 O ATOM 330 CB TYR A 21 -7.687 -0.943 0.749 1.00 0.00 C ATOM 331 CG TYR A 21 -8.914 -1.733 1.209 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.836 -2.539 2.326 1.00 0.00 C ATOM 333 CD2 TYR A 21 -10.098 -1.638 0.507 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.991 -3.282 2.759 1.00 0.00 C ATOM 335 CE2 TYR A 21 -11.253 -2.381 0.940 1.00 0.00 C ATOM 336 CZ TYR A 21 -11.143 -3.167 2.045 1.00 0.00 C ATOM 337 OH TYR A 21 -12.233 -3.868 2.454 1.00 0.00 O ATOM 0 H TYR A 21 -7.608 1.257 2.328 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.391 -1.459 2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.020 -0.025 0.265 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.154 -1.525 -0.003 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.909 -2.613 2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.159 -1.007 -0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.944 -3.917 3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.186 -2.316 0.400 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.983 -3.688 1.850 1.00 0.00 H new ATOM 347 N VAL A 22 -4.377 -0.670 1.308 1.00 0.00 N ATOM 348 CA VAL A 22 -3.121 -0.174 0.772 1.00 0.00 C ATOM 349 C VAL A 22 -2.730 -1.004 -0.452 1.00 0.00 C ATOM 350 O VAL A 22 -3.313 -2.058 -0.704 1.00 0.00 O ATOM 351 CB VAL A 22 -2.049 -0.175 1.864 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.803 0.589 1.410 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.598 0.398 3.172 1.00 0.00 C ATOM 0 H VAL A 22 -4.332 -1.612 1.697 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.228 0.859 0.442 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.759 -1.209 2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.057 0.573 2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.392 0.118 0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.071 1.621 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.816 0.386 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.930 1.423 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.440 -0.206 3.509 1.00 0.00 H new ATOM 363 N ALA A 23 -1.745 -0.499 -1.180 1.00 0.00 N ATOM 364 CA ALA A 23 -1.268 -1.181 -2.371 1.00 0.00 C ATOM 365 C ALA A 23 0.239 -1.413 -2.252 1.00 0.00 C ATOM 366 O ALA A 23 0.965 -0.556 -1.750 1.00 0.00 O ATOM 367 CB ALA A 23 -1.637 -0.363 -3.610 1.00 0.00 C ATOM 0 H ALA A 23 -1.264 0.375 -0.968 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.744 -2.156 -2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.279 -0.875 -4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.720 -0.253 -3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.175 0.622 -3.546 1.00 0.00 H new ATOM 373 N ILE A 24 0.666 -2.576 -2.723 1.00 0.00 N ATOM 374 CA ILE A 24 2.074 -2.931 -2.676 1.00 0.00 C ATOM 375 C ILE A 24 2.389 -3.901 -3.816 1.00 0.00 C ATOM 376 O ILE A 24 1.901 -5.029 -3.829 1.00 0.00 O ATOM 377 CB ILE A 24 2.445 -3.468 -1.292 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.351 -2.367 -0.233 1.00 0.00 C ATOM 379 CG2 ILE A 24 3.826 -4.127 -1.312 1.00 0.00 C ATOM 380 CD1 ILE A 24 2.810 -2.879 1.133 1.00 0.00 C ATOM 0 H ILE A 24 0.061 -3.284 -3.139 1.00 0.00 H new ATOM 0 HA ILE A 24 2.695 -2.048 -2.827 1.00 0.00 H new ATOM 0 HB ILE A 24 1.724 -4.239 -1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.965 -1.517 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.323 -2.010 -0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.066 -4.500 -0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.823 -4.956 -2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.574 -3.395 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.733 -2.077 1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.179 -3.713 1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.846 -3.213 1.067 1.00 0.00 H new ATOM 392 N LYS A 25 3.204 -3.425 -4.747 1.00 0.00 N ATOM 393 CA LYS A 25 3.590 -4.236 -5.889 1.00 0.00 C ATOM 394 C LYS A 25 2.371 -4.460 -6.785 1.00 0.00 C ATOM 395 O LYS A 25 2.391 -5.323 -7.661 1.00 0.00 O ATOM 396 CB LYS A 25 4.258 -5.532 -5.424 1.00 0.00 C ATOM 397 CG LYS A 25 5.650 -5.256 -4.851 1.00 0.00 C ATOM 398 CD LYS A 25 6.675 -5.058 -5.970 1.00 0.00 C ATOM 399 CE LYS A 25 6.723 -6.279 -6.892 1.00 0.00 C ATOM 400 NZ LYS A 25 5.780 -6.113 -8.021 1.00 0.00 N ATOM 0 H LYS A 25 3.607 -2.488 -4.733 1.00 0.00 H new ATOM 0 HA LYS A 25 4.337 -3.717 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.638 -6.014 -4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.336 -6.226 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.618 -4.367 -4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.957 -6.087 -4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.420 -4.170 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.661 -4.885 -5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.735 -6.415 -7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.471 -7.178 -6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.090 -6.891 -8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.281 -5.206 -7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.306 -6.126 -8.918 1.00 0.00 H new ATOM 414 N GLY A 26 1.339 -3.668 -6.535 1.00 0.00 N ATOM 415 CA GLY A 26 0.113 -3.769 -7.309 1.00 0.00 C ATOM 416 C GLY A 26 -0.909 -4.661 -6.603 1.00 0.00 C ATOM 417 O GLY A 26 -1.916 -5.047 -7.195 1.00 0.00 O ATOM 0 H GLY A 26 1.326 -2.953 -5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.309 -2.775 -7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.334 -4.174 -8.296 1.00 0.00 H new ATOM 421 N ARG A 27 -0.615 -4.964 -5.347 1.00 0.00 N ATOM 422 CA ARG A 27 -1.496 -5.804 -4.553 1.00 0.00 C ATOM 423 C ARG A 27 -2.139 -4.987 -3.430 1.00 0.00 C ATOM 424 O ARG A 27 -1.452 -4.253 -2.721 1.00 0.00 O ATOM 425 CB ARG A 27 -0.734 -6.982 -3.945 1.00 0.00 C ATOM 426 CG ARG A 27 -1.647 -8.199 -3.778 1.00 0.00 C ATOM 427 CD ARG A 27 -0.926 -9.328 -3.039 1.00 0.00 C ATOM 428 NE ARG A 27 -0.581 -10.412 -3.984 1.00 0.00 N ATOM 429 CZ ARG A 27 -1.474 -11.257 -4.518 1.00 0.00 C ATOM 430 NH1 ARG A 27 -2.771 -11.147 -4.201 1.00 0.00 N ATOM 431 NH2 ARG A 27 -1.070 -12.211 -5.367 1.00 0.00 N ATOM 0 H ARG A 27 0.221 -4.643 -4.859 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.271 -6.190 -5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.111 -7.242 -4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.325 -6.694 -2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.543 -7.913 -3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.973 -8.550 -4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.022 -8.945 -2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.561 -9.717 -2.243 1.00 0.00 H new ATOM 0 HE ARG A 27 0.398 -10.524 -4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.078 -10.421 -3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.451 -11.789 -4.607 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.082 -12.295 -5.607 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.750 -12.854 -5.773 1.00 0.00 H new ATOM 445 N VAL A 28 -3.448 -5.142 -3.304 1.00 0.00 N ATOM 446 CA VAL A 28 -4.191 -4.428 -2.279 1.00 0.00 C ATOM 447 C VAL A 28 -4.121 -5.211 -0.966 1.00 0.00 C ATOM 448 O VAL A 28 -4.544 -6.364 -0.903 1.00 0.00 O ATOM 449 CB VAL A 28 -5.625 -4.179 -2.750 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.547 -3.881 -1.566 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.674 -3.049 -3.781 1.00 0.00 C ATOM 0 H VAL A 28 -4.014 -5.751 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.748 -3.449 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.983 -5.089 -3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.560 -3.708 -1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.546 -4.730 -0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.192 -2.993 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.704 -2.892 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.288 -2.132 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.064 -3.317 -4.644 1.00 0.00 H new ATOM 461 N PHE A 29 -3.584 -4.552 0.050 1.00 0.00 N ATOM 462 CA PHE A 29 -3.453 -5.172 1.358 1.00 0.00 C ATOM 463 C PHE A 29 -4.273 -4.417 2.407 1.00 0.00 C ATOM 464 O PHE A 29 -4.343 -3.190 2.380 1.00 0.00 O ATOM 465 CB PHE A 29 -1.973 -5.104 1.739 1.00 0.00 C ATOM 466 CG PHE A 29 -1.080 -6.053 0.938 1.00 0.00 C ATOM 467 CD1 PHE A 29 -1.175 -7.396 1.124 1.00 0.00 C ATOM 468 CD2 PHE A 29 -0.190 -5.552 0.039 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.346 -8.277 0.380 1.00 0.00 C ATOM 470 CE2 PHE A 29 0.639 -6.433 -0.705 1.00 0.00 C ATOM 471 CZ PHE A 29 0.543 -7.777 -0.519 1.00 0.00 C ATOM 0 H PHE A 29 -3.235 -3.595 -0.006 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.817 -6.199 1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.619 -4.083 1.598 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.871 -5.334 2.800 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.881 -7.793 1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.114 -4.485 -0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.422 -9.344 0.528 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.346 -6.036 -1.419 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.173 -8.447 -1.085 1.00 0.00 H new ATOM 481 N ASP A 30 -4.873 -5.184 3.306 1.00 0.00 N ATOM 482 CA ASP A 30 -5.685 -4.603 4.362 1.00 0.00 C ATOM 483 C ASP A 30 -4.801 -4.304 5.574 1.00 0.00 C ATOM 484 O ASP A 30 -3.994 -5.139 5.979 1.00 0.00 O ATOM 485 CB ASP A 30 -6.785 -5.569 4.806 1.00 0.00 C ATOM 486 CG ASP A 30 -8.125 -5.400 4.086 1.00 0.00 C ATOM 487 OD1 ASP A 30 -8.094 -4.905 2.939 1.00 0.00 O ATOM 488 OD2 ASP A 30 -9.149 -5.769 4.700 1.00 0.00 O ATOM 0 H ASP A 30 -4.813 -6.202 3.325 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.140 -3.692 3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.434 -6.590 4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.947 -5.444 5.877 1.00 0.00 H new ATOM 493 N VAL A 31 -4.983 -3.110 6.119 1.00 0.00 N ATOM 494 CA VAL A 31 -4.212 -2.691 7.277 1.00 0.00 C ATOM 495 C VAL A 31 -5.156 -2.102 8.327 1.00 0.00 C ATOM 496 O VAL A 31 -4.707 -1.529 9.319 1.00 0.00 O ATOM 497 CB VAL A 31 -3.112 -1.717 6.848 1.00 0.00 C ATOM 498 CG1 VAL A 31 -2.258 -2.313 5.727 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.705 -0.370 6.428 1.00 0.00 C ATOM 0 H VAL A 31 -5.653 -2.420 5.780 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.712 -3.546 7.733 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.464 -1.545 7.707 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.484 -1.601 5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.792 -3.235 6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.889 -2.529 4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.902 0.303 6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.387 -0.518 5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.249 0.065 7.266 1.00 0.00 H new ATOM 509 N THR A 32 -6.446 -2.262 8.073 1.00 0.00 N ATOM 510 CA THR A 32 -7.457 -1.754 8.984 1.00 0.00 C ATOM 511 C THR A 32 -7.179 -2.232 10.410 1.00 0.00 C ATOM 512 O THR A 32 -7.574 -1.580 11.376 1.00 0.00 O ATOM 513 CB THR A 32 -8.828 -2.182 8.456 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.564 -2.513 9.630 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.769 -3.493 7.670 1.00 0.00 C ATOM 0 H THR A 32 -6.815 -2.737 7.249 1.00 0.00 H new ATOM 0 HA THR A 32 -7.436 -0.665 9.030 1.00 0.00 H new ATOM 0 HB THR A 32 -9.234 -1.396 7.820 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.467 -2.800 9.380 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.768 -3.751 7.318 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.102 -3.375 6.816 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.395 -4.288 8.315 1.00 0.00 H new ATOM 523 N THR A 33 -6.501 -3.368 10.498 1.00 0.00 N ATOM 524 CA THR A 33 -6.166 -3.941 11.790 1.00 0.00 C ATOM 525 C THR A 33 -5.407 -2.924 12.644 1.00 0.00 C ATOM 526 O THR A 33 -5.181 -3.151 13.832 1.00 0.00 O ATOM 527 CB THR A 33 -5.383 -5.233 11.545 1.00 0.00 C ATOM 528 OG1 THR A 33 -4.789 -5.523 12.807 1.00 0.00 O ATOM 529 CG2 THR A 33 -4.190 -5.026 10.610 1.00 0.00 C ATOM 0 H THR A 33 -6.175 -3.906 9.695 1.00 0.00 H new ATOM 0 HA THR A 33 -7.063 -4.189 12.357 1.00 0.00 H new ATOM 0 HB THR A 33 -6.048 -5.986 11.123 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.148 -4.914 13.485 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.669 -5.973 10.470 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.543 -4.659 9.646 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.507 -4.298 11.047 1.00 0.00 H new ATOM 537 N GLY A 34 -5.034 -1.824 12.006 1.00 0.00 N ATOM 538 CA GLY A 34 -4.305 -0.771 12.693 1.00 0.00 C ATOM 539 C GLY A 34 -4.558 0.588 12.037 1.00 0.00 C ATOM 540 O GLY A 34 -3.622 1.350 11.798 1.00 0.00 O ATOM 0 H GLY A 34 -5.223 -1.639 11.021 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.609 -0.736 13.739 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.238 -0.993 12.678 1.00 0.00 H new ATOM 544 N LYS A 35 -5.828 0.850 11.764 1.00 0.00 N ATOM 545 CA LYS A 35 -6.215 2.104 11.140 1.00 0.00 C ATOM 546 C LYS A 35 -5.583 3.267 11.907 1.00 0.00 C ATOM 547 O LYS A 35 -5.384 4.347 11.352 1.00 0.00 O ATOM 548 CB LYS A 35 -7.738 2.198 11.027 1.00 0.00 C ATOM 549 CG LYS A 35 -8.326 2.995 12.193 1.00 0.00 C ATOM 550 CD LYS A 35 -9.851 3.071 12.092 1.00 0.00 C ATOM 551 CE LYS A 35 -10.380 4.356 12.731 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.857 4.322 12.818 1.00 0.00 N ATOM 0 H LYS A 35 -6.602 0.216 11.963 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.838 2.153 10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.008 2.674 10.084 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.168 1.196 11.013 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.043 2.528 13.136 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.908 4.002 12.198 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.152 3.031 11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.295 2.206 12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.954 4.476 13.727 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.064 5.218 12.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.199 5.202 13.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.259 4.230 11.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.152 3.511 13.398 1.00 0.00 H new ATOM 566 N SER A 36 -5.283 3.007 13.171 1.00 0.00 N ATOM 567 CA SER A 36 -4.677 4.019 14.020 1.00 0.00 C ATOM 568 C SER A 36 -3.349 4.481 13.417 1.00 0.00 C ATOM 569 O SER A 36 -2.837 5.541 13.773 1.00 0.00 O ATOM 570 CB SER A 36 -4.460 3.490 15.439 1.00 0.00 C ATOM 571 OG SER A 36 -5.474 3.935 16.336 1.00 0.00 O ATOM 0 H SER A 36 -5.448 2.110 13.628 1.00 0.00 H new ATOM 0 HA SER A 36 -5.357 4.868 14.078 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.445 2.400 15.421 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.486 3.817 15.803 1.00 0.00 H new ATOM 0 HG SER A 36 -5.301 3.575 17.231 1.00 0.00 H new ATOM 577 N PHE A 37 -2.830 3.663 12.514 1.00 0.00 N ATOM 578 CA PHE A 37 -1.571 3.974 11.858 1.00 0.00 C ATOM 579 C PHE A 37 -1.799 4.391 10.404 1.00 0.00 C ATOM 580 O PHE A 37 -1.206 5.360 9.931 1.00 0.00 O ATOM 581 CB PHE A 37 -0.725 2.700 11.884 1.00 0.00 C ATOM 582 CG PHE A 37 -0.439 2.172 13.291 1.00 0.00 C ATOM 583 CD1 PHE A 37 0.374 2.872 14.128 1.00 0.00 C ATOM 584 CD2 PHE A 37 -0.997 1.003 13.706 1.00 0.00 C ATOM 585 CE1 PHE A 37 0.640 2.382 15.434 1.00 0.00 C ATOM 586 CE2 PHE A 37 -0.730 0.513 15.012 1.00 0.00 C ATOM 587 CZ PHE A 37 0.082 1.213 15.848 1.00 0.00 C ATOM 0 H PHE A 37 -3.258 2.785 12.221 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.078 4.799 12.372 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.236 1.925 11.313 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.222 2.895 11.381 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.817 3.800 13.799 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.643 0.447 13.042 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.285 2.938 16.098 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.172 -0.416 15.341 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.284 0.841 16.841 1.00 0.00 H new ATOM 597 N TYR A 38 -2.660 3.639 9.734 1.00 0.00 N ATOM 598 CA TYR A 38 -2.974 3.918 8.343 1.00 0.00 C ATOM 599 C TYR A 38 -4.190 4.840 8.230 1.00 0.00 C ATOM 600 O TYR A 38 -4.220 5.732 7.383 1.00 0.00 O ATOM 601 CB TYR A 38 -3.312 2.568 7.708 1.00 0.00 C ATOM 602 CG TYR A 38 -2.228 2.033 6.769 1.00 0.00 C ATOM 603 CD1 TYR A 38 -2.007 2.645 5.552 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.473 0.939 7.139 1.00 0.00 C ATOM 605 CE1 TYR A 38 -0.987 2.142 4.669 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.453 0.436 6.256 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.261 1.062 5.064 1.00 0.00 C ATOM 608 OH TYR A 38 0.702 0.587 4.229 1.00 0.00 O ATOM 0 H TYR A 38 -3.150 2.836 10.129 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.136 4.413 7.852 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.485 1.839 8.500 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.245 2.663 7.153 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.599 3.501 5.262 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.647 0.460 8.091 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.803 2.612 3.714 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.146 -0.419 6.534 1.00 0.00 H new ATOM 0 HH TYR A 38 0.976 -0.308 4.521 1.00 0.00 H new ATOM 618 N GLY A 39 -5.163 4.593 9.095 1.00 0.00 N ATOM 619 CA GLY A 39 -6.378 5.390 9.102 1.00 0.00 C ATOM 620 C GLY A 39 -6.055 6.882 9.008 1.00 0.00 C ATOM 621 O GLY A 39 -4.890 7.273 9.051 1.00 0.00 O ATOM 0 H GLY A 39 -5.135 3.852 9.796 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.013 5.098 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.941 5.193 10.014 1.00 0.00 H new ATOM 625 N SER A 40 -7.109 7.676 8.881 1.00 0.00 N ATOM 626 CA SER A 40 -6.952 9.117 8.781 1.00 0.00 C ATOM 627 C SER A 40 -5.836 9.589 9.715 1.00 0.00 C ATOM 628 O SER A 40 -5.838 9.268 10.902 1.00 0.00 O ATOM 629 CB SER A 40 -8.261 9.837 9.112 1.00 0.00 C ATOM 630 OG SER A 40 -9.395 8.993 8.934 1.00 0.00 O ATOM 0 H SER A 40 -8.074 7.348 8.845 1.00 0.00 H new ATOM 0 HA SER A 40 -6.683 9.361 7.753 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.230 10.190 10.143 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.361 10.717 8.477 1.00 0.00 H new ATOM 0 HG SER A 40 -10.190 9.430 9.305 1.00 0.00 H new ATOM 636 N GLY A 41 -4.909 10.343 9.143 1.00 0.00 N ATOM 637 CA GLY A 41 -3.789 10.862 9.909 1.00 0.00 C ATOM 638 C GLY A 41 -3.207 9.785 10.828 1.00 0.00 C ATOM 639 O GLY A 41 -3.606 9.671 11.987 1.00 0.00 O ATOM 0 H GLY A 41 -4.911 10.607 8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.016 11.223 9.231 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.115 11.715 10.504 1.00 0.00 H new ATOM 643 N GLY A 42 -2.274 9.023 10.278 1.00 0.00 N ATOM 644 CA GLY A 42 -1.634 7.960 11.033 1.00 0.00 C ATOM 645 C GLY A 42 -0.244 7.650 10.474 1.00 0.00 C ATOM 646 O GLY A 42 0.199 8.282 9.516 1.00 0.00 O ATOM 0 H GLY A 42 -1.946 9.121 9.317 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.552 8.251 12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.252 7.063 10.999 1.00 0.00 H new ATOM 650 N ASP A 43 0.406 6.678 11.097 1.00 0.00 N ATOM 651 CA ASP A 43 1.737 6.277 10.674 1.00 0.00 C ATOM 652 C ASP A 43 1.803 6.277 9.145 1.00 0.00 C ATOM 653 O ASP A 43 2.697 6.885 8.559 1.00 0.00 O ATOM 654 CB ASP A 43 2.068 4.865 11.162 1.00 0.00 C ATOM 655 CG ASP A 43 3.441 4.713 11.818 1.00 0.00 C ATOM 656 OD1 ASP A 43 3.666 5.409 12.832 1.00 0.00 O ATOM 657 OD2 ASP A 43 4.236 3.904 11.292 1.00 0.00 O ATOM 0 H ASP A 43 0.036 6.156 11.891 1.00 0.00 H new ATOM 0 HA ASP A 43 2.452 6.982 11.098 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.305 4.555 11.876 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.009 4.181 10.315 1.00 0.00 H new ATOM 662 N TYR A 44 0.845 5.587 8.544 1.00 0.00 N ATOM 663 CA TYR A 44 0.783 5.500 7.095 1.00 0.00 C ATOM 664 C TYR A 44 -0.350 6.367 6.541 1.00 0.00 C ATOM 665 O TYR A 44 -1.273 5.858 5.908 1.00 0.00 O ATOM 666 CB TYR A 44 0.491 4.033 6.772 1.00 0.00 C ATOM 667 CG TYR A 44 1.115 3.043 7.758 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.486 2.892 7.809 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.307 2.302 8.596 1.00 0.00 C ATOM 670 CE1 TYR A 44 3.073 1.960 8.736 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.895 1.371 9.524 1.00 0.00 C ATOM 672 CZ TYR A 44 2.249 1.246 9.548 1.00 0.00 C ATOM 673 OH TYR A 44 2.804 0.366 10.424 1.00 0.00 O ATOM 0 H TYR A 44 0.106 5.083 9.034 1.00 0.00 H new ATOM 0 HA TYR A 44 1.715 5.849 6.650 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.589 3.883 6.756 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.858 3.812 5.770 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.118 3.473 7.154 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.766 2.420 8.556 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.144 1.831 8.785 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.275 0.785 10.186 1.00 0.00 H new ATOM 0 HH TYR A 44 2.096 -0.072 10.940 1.00 0.00 H new ATOM 683 N SER A 45 -0.241 7.662 6.799 1.00 0.00 N ATOM 684 CA SER A 45 -1.245 8.604 6.334 1.00 0.00 C ATOM 685 C SER A 45 -1.100 8.822 4.827 1.00 0.00 C ATOM 686 O SER A 45 -2.086 9.071 4.135 1.00 0.00 O ATOM 687 CB SER A 45 -1.134 9.938 7.076 1.00 0.00 C ATOM 688 OG SER A 45 -2.406 10.550 7.268 1.00 0.00 O ATOM 0 H SER A 45 0.527 8.081 7.324 1.00 0.00 H new ATOM 0 HA SER A 45 -2.229 8.184 6.541 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.660 9.776 8.044 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.488 10.613 6.514 1.00 0.00 H new ATOM 0 HG SER A 45 -2.301 11.524 7.285 1.00 0.00 H new ATOM 694 N MET A 46 0.137 8.720 4.363 1.00 0.00 N ATOM 695 CA MET A 46 0.423 8.903 2.950 1.00 0.00 C ATOM 696 C MET A 46 0.158 7.616 2.166 1.00 0.00 C ATOM 697 O MET A 46 -0.228 7.664 0.999 1.00 0.00 O ATOM 698 CB MET A 46 1.886 9.315 2.774 1.00 0.00 C ATOM 699 CG MET A 46 2.798 8.506 3.698 1.00 0.00 C ATOM 700 SD MET A 46 3.125 9.424 5.193 1.00 0.00 S ATOM 701 CE MET A 46 3.480 11.030 4.498 1.00 0.00 C ATOM 0 H MET A 46 0.952 8.513 4.940 1.00 0.00 H new ATOM 0 HA MET A 46 -0.233 9.684 2.564 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.188 9.165 1.737 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.996 10.378 2.988 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.328 7.553 3.942 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.735 8.279 3.189 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.237 11.529 5.103 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.849 10.912 3.479 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.571 11.631 4.487 1.00 0.00 H new ATOM 711 N PHE A 47 0.375 6.495 2.839 1.00 0.00 N ATOM 712 CA PHE A 47 0.165 5.198 2.220 1.00 0.00 C ATOM 713 C PHE A 47 -1.326 4.858 2.153 1.00 0.00 C ATOM 714 O PHE A 47 -1.780 4.225 1.201 1.00 0.00 O ATOM 715 CB PHE A 47 0.873 4.163 3.097 1.00 0.00 C ATOM 716 CG PHE A 47 2.343 4.484 3.373 1.00 0.00 C ATOM 717 CD1 PHE A 47 2.966 5.472 2.676 1.00 0.00 C ATOM 718 CD2 PHE A 47 3.027 3.781 4.315 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.331 5.769 2.933 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.392 4.078 4.572 1.00 0.00 C ATOM 721 CZ PHE A 47 5.015 5.066 3.875 1.00 0.00 C ATOM 0 H PHE A 47 0.694 6.459 3.807 1.00 0.00 H new ATOM 0 HA PHE A 47 0.556 5.204 1.202 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.344 4.084 4.047 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.809 3.188 2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.423 6.030 1.928 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.532 2.996 4.868 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.826 6.554 2.380 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.935 3.520 5.320 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.053 5.292 4.070 1.00 0.00 H new ATOM 731 N ALA A 48 -2.046 5.293 3.176 1.00 0.00 N ATOM 732 CA ALA A 48 -3.476 5.042 3.246 1.00 0.00 C ATOM 733 C ALA A 48 -4.100 5.295 1.872 1.00 0.00 C ATOM 734 O ALA A 48 -3.923 6.365 1.293 1.00 0.00 O ATOM 735 CB ALA A 48 -4.095 5.917 4.337 1.00 0.00 C ATOM 0 H ALA A 48 -1.666 5.818 3.964 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.671 4.003 3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.167 5.729 4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.637 5.679 5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.922 6.967 4.103 1.00 0.00 H new ATOM 741 N GLY A 49 -4.818 4.291 1.390 1.00 0.00 N ATOM 742 CA GLY A 49 -5.470 4.390 0.096 1.00 0.00 C ATOM 743 C GLY A 49 -4.476 4.813 -0.988 1.00 0.00 C ATOM 744 O GLY A 49 -4.826 5.563 -1.898 1.00 0.00 O ATOM 0 H GLY A 49 -4.962 3.404 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.913 3.429 -0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.284 5.112 0.149 1.00 0.00 H new ATOM 748 N LYS A 50 -3.256 4.314 -0.854 1.00 0.00 N ATOM 749 CA LYS A 50 -2.209 4.631 -1.810 1.00 0.00 C ATOM 750 C LYS A 50 -1.120 3.558 -1.741 1.00 0.00 C ATOM 751 O LYS A 50 -0.887 2.972 -0.685 1.00 0.00 O ATOM 752 CB LYS A 50 -1.688 6.051 -1.583 1.00 0.00 C ATOM 753 CG LYS A 50 -2.765 7.089 -1.907 1.00 0.00 C ATOM 754 CD LYS A 50 -2.151 8.479 -2.083 1.00 0.00 C ATOM 755 CE LYS A 50 -1.822 8.750 -3.553 1.00 0.00 C ATOM 756 NZ LYS A 50 -2.317 10.085 -3.957 1.00 0.00 N ATOM 0 H LYS A 50 -2.969 3.692 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.604 4.620 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.369 6.164 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.811 6.225 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.290 6.801 -2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.505 7.113 -1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.844 9.236 -1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.245 8.559 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.744 8.693 -3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.275 7.982 -4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.086 10.253 -4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.348 10.126 -3.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.865 10.815 -3.370 1.00 0.00 H new ATOM 770 N ASP A 51 -0.483 3.333 -2.881 1.00 0.00 N ATOM 771 CA ASP A 51 0.576 2.341 -2.963 1.00 0.00 C ATOM 772 C ASP A 51 1.910 2.995 -2.599 1.00 0.00 C ATOM 773 O ASP A 51 2.372 3.900 -3.293 1.00 0.00 O ATOM 774 CB ASP A 51 0.695 1.780 -4.382 1.00 0.00 C ATOM 775 CG ASP A 51 1.364 0.408 -4.479 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.275 0.160 -3.659 1.00 0.00 O ATOM 777 OD2 ASP A 51 0.950 -0.363 -5.372 1.00 0.00 O ATOM 0 H ASP A 51 -0.680 3.820 -3.755 1.00 0.00 H new ATOM 0 HA ASP A 51 0.335 1.531 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.303 1.713 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.259 2.487 -4.990 1.00 0.00 H new ATOM 782 N ALA A 52 2.493 2.510 -1.513 1.00 0.00 N ATOM 783 CA ALA A 52 3.766 3.036 -1.049 1.00 0.00 C ATOM 784 C ALA A 52 4.872 2.021 -1.348 1.00 0.00 C ATOM 785 O ALA A 52 5.485 1.478 -0.431 1.00 0.00 O ATOM 786 CB ALA A 52 3.668 3.369 0.441 1.00 0.00 C ATOM 0 H ALA A 52 2.108 1.759 -0.941 1.00 0.00 H new ATOM 0 HA ALA A 52 4.014 3.958 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.623 3.763 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.889 4.115 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.423 2.466 1.000 1.00 0.00 H new ATOM 792 N SER A 53 5.092 1.797 -2.635 1.00 0.00 N ATOM 793 CA SER A 53 6.113 0.857 -3.067 1.00 0.00 C ATOM 794 C SER A 53 7.502 1.473 -2.883 1.00 0.00 C ATOM 795 O SER A 53 8.362 0.889 -2.225 1.00 0.00 O ATOM 796 CB SER A 53 5.903 0.447 -4.525 1.00 0.00 C ATOM 797 OG SER A 53 4.659 -0.222 -4.718 1.00 0.00 O ATOM 0 H SER A 53 4.581 2.250 -3.393 1.00 0.00 H new ATOM 0 HA SER A 53 6.035 -0.039 -2.452 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.941 1.332 -5.160 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.718 -0.205 -4.839 1.00 0.00 H new ATOM 0 HG SER A 53 3.974 0.191 -4.151 1.00 0.00 H new ATOM 803 N ARG A 54 7.678 2.644 -3.477 1.00 0.00 N ATOM 804 CA ARG A 54 8.948 3.345 -3.387 1.00 0.00 C ATOM 805 C ARG A 54 9.204 3.797 -1.948 1.00 0.00 C ATOM 806 O ARG A 54 10.325 3.691 -1.451 1.00 0.00 O ATOM 807 CB ARG A 54 8.969 4.566 -4.309 1.00 0.00 C ATOM 808 CG ARG A 54 8.246 4.272 -5.625 1.00 0.00 C ATOM 809 CD ARG A 54 9.157 4.545 -6.824 1.00 0.00 C ATOM 810 NE ARG A 54 8.469 5.428 -7.791 1.00 0.00 N ATOM 811 CZ ARG A 54 8.388 6.760 -7.667 1.00 0.00 C ATOM 812 NH1 ARG A 54 8.952 7.370 -6.616 1.00 0.00 N ATOM 813 NH2 ARG A 54 7.744 7.481 -8.595 1.00 0.00 N ATOM 0 H ARG A 54 6.963 3.125 -4.022 1.00 0.00 H new ATOM 0 HA ARG A 54 9.731 2.654 -3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.494 5.411 -3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.000 4.854 -4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.920 3.232 -5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.350 4.888 -5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.083 5.011 -6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.429 3.606 -7.306 1.00 0.00 H new ATOM 0 HE ARG A 54 8.029 4.996 -8.603 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.443 6.821 -5.911 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.891 8.384 -6.521 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.316 7.016 -9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.682 8.495 -8.501 1.00 0.00 H new ATOM 827 N ALA A 55 8.148 4.290 -1.319 1.00 0.00 N ATOM 828 CA ALA A 55 8.244 4.758 0.053 1.00 0.00 C ATOM 829 C ALA A 55 8.717 3.609 0.947 1.00 0.00 C ATOM 830 O ALA A 55 9.568 3.802 1.814 1.00 0.00 O ATOM 831 CB ALA A 55 6.894 5.324 0.496 1.00 0.00 C ATOM 0 H ALA A 55 7.220 4.376 -1.735 1.00 0.00 H new ATOM 0 HA ALA A 55 8.976 5.562 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.967 5.675 1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.618 6.156 -0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.134 4.545 0.431 1.00 0.00 H new ATOM 837 N LEU A 56 8.143 2.439 0.706 1.00 0.00 N ATOM 838 CA LEU A 56 8.495 1.260 1.478 1.00 0.00 C ATOM 839 C LEU A 56 9.966 0.917 1.237 1.00 0.00 C ATOM 840 O LEU A 56 10.715 0.677 2.183 1.00 0.00 O ATOM 841 CB LEU A 56 7.536 0.109 1.165 1.00 0.00 C ATOM 842 CG LEU A 56 6.335 -0.037 2.100 1.00 0.00 C ATOM 843 CD1 LEU A 56 5.670 1.318 2.354 1.00 0.00 C ATOM 844 CD2 LEU A 56 5.343 -1.070 1.562 1.00 0.00 C ATOM 0 H LEU A 56 7.437 2.283 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 56 8.384 1.456 2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.166 0.237 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.101 -0.823 1.183 1.00 0.00 H new ATOM 0 HG LEU A 56 6.694 -0.405 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.819 1.186 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.390 1.996 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.327 1.738 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.499 -1.154 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.986 -0.755 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.837 -2.038 1.475 1.00 0.00 H new ATOM 856 N GLY A 57 10.337 0.906 -0.035 1.00 0.00 N ATOM 857 CA GLY A 57 11.706 0.597 -0.413 1.00 0.00 C ATOM 858 C GLY A 57 12.698 1.465 0.365 1.00 0.00 C ATOM 859 O GLY A 57 13.317 1.000 1.321 1.00 0.00 O ATOM 0 H GLY A 57 9.713 1.106 -0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.911 -0.456 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.837 0.758 -1.483 1.00 0.00 H new ATOM 863 N LYS A 58 12.819 2.709 -0.075 1.00 0.00 N ATOM 864 CA LYS A 58 13.725 3.645 0.568 1.00 0.00 C ATOM 865 C LYS A 58 13.294 3.849 2.022 1.00 0.00 C ATOM 866 O LYS A 58 14.084 4.302 2.849 1.00 0.00 O ATOM 867 CB LYS A 58 13.812 4.944 -0.236 1.00 0.00 C ATOM 868 CG LYS A 58 14.082 4.657 -1.714 1.00 0.00 C ATOM 869 CD LYS A 58 13.289 5.609 -2.611 1.00 0.00 C ATOM 870 CE LYS A 58 12.261 4.846 -3.448 1.00 0.00 C ATOM 871 NZ LYS A 58 12.209 5.386 -4.825 1.00 0.00 N ATOM 0 H LYS A 58 12.305 3.090 -0.869 1.00 0.00 H new ATOM 0 HA LYS A 58 14.737 3.242 0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.881 5.502 -0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.606 5.573 0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.147 4.761 -1.920 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.812 3.626 -1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.783 6.355 -1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.971 6.147 -3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.520 3.788 -3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.278 4.922 -2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.259 5.765 -5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.911 6.146 -4.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.420 4.627 -5.504 1.00 0.00 H new ATOM 885 N MET A 59 12.043 3.504 2.289 1.00 0.00 N ATOM 886 CA MET A 59 11.498 3.643 3.628 1.00 0.00 C ATOM 887 C MET A 59 11.181 5.107 3.941 1.00 0.00 C ATOM 888 O MET A 59 11.407 5.569 5.059 1.00 0.00 O ATOM 889 CB MET A 59 12.506 3.109 4.648 1.00 0.00 C ATOM 890 CG MET A 59 13.025 1.730 4.235 1.00 0.00 C ATOM 891 SD MET A 59 12.657 0.534 5.508 1.00 0.00 S ATOM 892 CE MET A 59 13.927 -0.675 5.174 1.00 0.00 C ATOM 0 H MET A 59 11.391 3.128 1.600 1.00 0.00 H new ATOM 0 HA MET A 59 10.573 3.070 3.685 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.341 3.804 4.738 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.037 3.046 5.630 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.565 1.426 3.295 1.00 0.00 H new ATOM 0 HG3 MET A 59 14.101 1.773 4.065 1.00 0.00 H new ATOM 0 HE1 MET A 59 13.467 -1.649 5.008 1.00 0.00 H new ATOM 0 HE2 MET A 59 14.485 -0.381 4.285 1.00 0.00 H new ATOM 0 HE3 MET A 59 14.606 -0.735 6.025 1.00 0.00 H new ATOM 902 N SER A 60 10.664 5.796 2.935 1.00 0.00 N ATOM 903 CA SER A 60 10.314 7.198 3.089 1.00 0.00 C ATOM 904 C SER A 60 8.801 7.378 2.950 1.00 0.00 C ATOM 905 O SER A 60 8.106 6.477 2.484 1.00 0.00 O ATOM 906 CB SER A 60 11.049 8.064 2.064 1.00 0.00 C ATOM 907 OG SER A 60 11.582 9.249 2.651 1.00 0.00 O ATOM 0 H SER A 60 10.479 5.410 2.009 1.00 0.00 H new ATOM 0 HA SER A 60 10.621 7.521 4.084 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.857 7.487 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.364 8.334 1.260 1.00 0.00 H new ATOM 0 HG SER A 60 12.045 9.774 1.965 1.00 0.00 H new ATOM 913 N LYS A 61 8.336 8.548 3.362 1.00 0.00 N ATOM 914 CA LYS A 61 6.919 8.858 3.290 1.00 0.00 C ATOM 915 C LYS A 61 6.681 9.882 2.178 1.00 0.00 C ATOM 916 O LYS A 61 5.608 10.478 2.097 1.00 0.00 O ATOM 917 CB LYS A 61 6.396 9.302 4.657 1.00 0.00 C ATOM 918 CG LYS A 61 7.518 9.910 5.501 1.00 0.00 C ATOM 919 CD LYS A 61 6.955 10.606 6.742 1.00 0.00 C ATOM 920 CE LYS A 61 7.998 10.663 7.860 1.00 0.00 C ATOM 921 NZ LYS A 61 8.035 9.382 8.600 1.00 0.00 N ATOM 0 H LYS A 61 8.916 9.293 3.747 1.00 0.00 H new ATOM 0 HA LYS A 61 6.348 7.967 3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.598 10.033 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.964 8.449 5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.215 9.128 5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.081 10.626 4.902 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.638 11.616 6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.070 10.074 7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.981 10.875 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.762 11.478 8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.748 9.438 9.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.101 9.196 9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.282 8.611 7.947 1.00 0.00 H new ATOM 935 N ASN A 62 7.700 10.056 1.350 1.00 0.00 N ATOM 936 CA ASN A 62 7.616 10.998 0.247 1.00 0.00 C ATOM 937 C ASN A 62 6.335 10.734 -0.547 1.00 0.00 C ATOM 938 O ASN A 62 5.988 9.583 -0.807 1.00 0.00 O ATOM 939 CB ASN A 62 8.803 10.839 -0.705 1.00 0.00 C ATOM 940 CG ASN A 62 8.673 11.779 -1.906 1.00 0.00 C ATOM 941 OD1 ASN A 62 8.982 11.433 -3.034 1.00 0.00 O ATOM 942 ND2 ASN A 62 8.200 12.983 -1.601 1.00 0.00 N ATOM 0 H ASN A 62 8.589 9.560 1.421 1.00 0.00 H new ATOM 0 HA ASN A 62 7.620 12.005 0.663 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.731 11.049 -0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.861 9.807 -1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.076 13.683 -2.333 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.961 13.207 -0.635 1.00 0.00 H new ATOM 949 N GLU A 63 5.667 11.820 -0.909 1.00 0.00 N ATOM 950 CA GLU A 63 4.432 11.720 -1.668 1.00 0.00 C ATOM 951 C GLU A 63 4.717 11.211 -3.082 1.00 0.00 C ATOM 952 O GLU A 63 3.810 10.757 -3.777 1.00 0.00 O ATOM 953 CB GLU A 63 3.702 13.064 -1.706 1.00 0.00 C ATOM 954 CG GLU A 63 2.868 13.271 -0.440 1.00 0.00 C ATOM 955 CD GLU A 63 2.058 14.567 -0.522 1.00 0.00 C ATOM 956 OE1 GLU A 63 1.498 14.817 -1.611 1.00 0.00 O ATOM 957 OE2 GLU A 63 2.019 15.278 0.505 1.00 0.00 O ATOM 0 H GLU A 63 5.958 12.773 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 63 3.780 11.003 -1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.426 13.873 -1.805 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.056 13.106 -2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.194 12.425 -0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.523 13.302 0.430 1.00 0.00 H new ATOM 964 N GLU A 64 5.982 11.303 -3.466 1.00 0.00 N ATOM 965 CA GLU A 64 6.398 10.857 -4.785 1.00 0.00 C ATOM 966 C GLU A 64 6.790 9.379 -4.746 1.00 0.00 C ATOM 967 O GLU A 64 6.796 8.708 -5.777 1.00 0.00 O ATOM 968 CB GLU A 64 7.548 11.715 -5.316 1.00 0.00 C ATOM 969 CG GLU A 64 7.554 13.095 -4.654 1.00 0.00 C ATOM 970 CD GLU A 64 7.346 14.201 -5.691 1.00 0.00 C ATOM 971 OE1 GLU A 64 7.975 14.096 -6.766 1.00 0.00 O ATOM 972 OE2 GLU A 64 6.564 15.126 -5.384 1.00 0.00 O ATOM 0 H GLU A 64 6.732 11.680 -2.887 1.00 0.00 H new ATOM 0 HA GLU A 64 5.557 10.972 -5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.497 11.214 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.455 11.826 -6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.767 13.145 -3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.501 13.250 -4.136 1.00 0.00 H new ATOM 979 N ASP A 65 7.106 8.914 -3.547 1.00 0.00 N ATOM 980 CA ASP A 65 7.498 7.527 -3.360 1.00 0.00 C ATOM 981 C ASP A 65 6.268 6.630 -3.515 1.00 0.00 C ATOM 982 O ASP A 65 6.390 5.461 -3.877 1.00 0.00 O ATOM 983 CB ASP A 65 8.076 7.301 -1.962 1.00 0.00 C ATOM 984 CG ASP A 65 9.591 7.097 -1.914 1.00 0.00 C ATOM 985 OD1 ASP A 65 10.164 6.844 -2.996 1.00 0.00 O ATOM 986 OD2 ASP A 65 10.142 7.200 -0.797 1.00 0.00 O ATOM 0 H ASP A 65 7.099 9.473 -2.694 1.00 0.00 H new ATOM 0 HA ASP A 65 8.256 7.287 -4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.820 8.156 -1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.593 6.428 -1.522 1.00 0.00 H new ATOM 991 N VAL A 66 5.112 7.211 -3.232 1.00 0.00 N ATOM 992 CA VAL A 66 3.861 6.478 -3.335 1.00 0.00 C ATOM 993 C VAL A 66 3.602 6.123 -4.800 1.00 0.00 C ATOM 994 O VAL A 66 2.835 6.802 -5.481 1.00 0.00 O ATOM 995 CB VAL A 66 2.726 7.289 -2.706 1.00 0.00 C ATOM 996 CG1 VAL A 66 1.374 6.613 -2.941 1.00 0.00 C ATOM 997 CG2 VAL A 66 2.975 7.516 -1.214 1.00 0.00 C ATOM 0 H VAL A 66 5.015 8.181 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 66 3.920 5.542 -2.780 1.00 0.00 H new ATOM 0 HB VAL A 66 2.701 8.264 -3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.585 7.210 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.191 6.528 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.382 5.619 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.153 8.095 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.040 6.554 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.909 8.061 -1.080 1.00 0.00 H new ATOM 1007 N SER A 67 4.257 5.060 -5.243 1.00 0.00 N ATOM 1008 CA SER A 67 4.107 4.607 -6.616 1.00 0.00 C ATOM 1009 C SER A 67 3.415 3.242 -6.643 1.00 0.00 C ATOM 1010 O SER A 67 3.944 2.263 -6.119 1.00 0.00 O ATOM 1011 CB SER A 67 5.462 4.530 -7.321 1.00 0.00 C ATOM 1012 OG SER A 67 6.194 3.366 -6.946 1.00 0.00 O ATOM 0 H SER A 67 4.893 4.499 -4.676 1.00 0.00 H new ATOM 0 HA SER A 67 3.491 5.330 -7.150 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.310 4.530 -8.400 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.046 5.418 -7.081 1.00 0.00 H new ATOM 0 HG SER A 67 6.213 2.736 -7.696 1.00 0.00 H new ATOM 1018 N PRO A 68 2.212 3.220 -7.277 1.00 0.00 N ATOM 1019 CA PRO A 68 1.443 1.992 -7.380 1.00 0.00 C ATOM 1020 C PRO A 68 2.049 1.052 -8.424 1.00 0.00 C ATOM 1021 O PRO A 68 1.449 0.036 -8.773 1.00 0.00 O ATOM 1022 CB PRO A 68 0.033 2.439 -7.731 1.00 0.00 C ATOM 1023 CG PRO A 68 0.166 3.855 -8.266 1.00 0.00 C ATOM 1024 CD PRO A 68 1.555 4.360 -7.910 1.00 0.00 C ATOM 0 HA PRO A 68 1.445 1.415 -6.455 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.411 1.780 -8.477 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.615 2.412 -6.855 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.020 3.870 -9.346 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.598 4.500 -7.832 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.097 4.687 -8.797 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.505 5.214 -7.234 1.00 0.00 H new ATOM 1032 N SER A 69 3.230 1.423 -8.894 1.00 0.00 N ATOM 1033 CA SER A 69 3.924 0.626 -9.891 1.00 0.00 C ATOM 1034 C SER A 69 5.434 0.850 -9.783 1.00 0.00 C ATOM 1035 O SER A 69 5.882 1.966 -9.526 1.00 0.00 O ATOM 1036 CB SER A 69 3.437 0.963 -11.302 1.00 0.00 C ATOM 1037 OG SER A 69 3.411 -0.185 -12.146 1.00 0.00 O ATOM 0 H SER A 69 3.725 2.266 -8.603 1.00 0.00 H new ATOM 0 HA SER A 69 3.705 -0.425 -9.701 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.438 1.395 -11.247 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.088 1.720 -11.739 1.00 0.00 H new ATOM 0 HG SER A 69 3.093 0.071 -13.037 1.00 0.00 H new ATOM 1043 N LEU A 70 6.176 -0.229 -9.984 1.00 0.00 N ATOM 1044 CA LEU A 70 7.626 -0.164 -9.912 1.00 0.00 C ATOM 1045 C LEU A 70 8.158 0.611 -11.119 1.00 0.00 C ATOM 1046 O LEU A 70 9.022 0.121 -11.844 1.00 0.00 O ATOM 1047 CB LEU A 70 8.219 -1.567 -9.773 1.00 0.00 C ATOM 1048 CG LEU A 70 7.687 -2.408 -8.610 1.00 0.00 C ATOM 1049 CD1 LEU A 70 7.742 -3.900 -8.942 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.429 -2.081 -7.313 1.00 0.00 C ATOM 0 H LEU A 70 5.800 -1.153 -10.197 1.00 0.00 H new ATOM 0 HA LEU A 70 7.939 0.379 -9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.038 -2.110 -10.701 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.300 -1.474 -9.664 1.00 0.00 H new ATOM 0 HG LEU A 70 6.639 -2.152 -8.454 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.358 -4.475 -8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.133 -4.099 -9.824 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.774 -4.191 -9.140 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.032 -2.692 -6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.491 -2.291 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.294 -1.027 -7.072 1.00 0.00 H new ATOM 1062 N GLU A 71 7.618 1.808 -11.298 1.00 0.00 N ATOM 1063 CA GLU A 71 8.028 2.656 -12.405 1.00 0.00 C ATOM 1064 C GLU A 71 9.120 3.628 -11.953 1.00 0.00 C ATOM 1065 O GLU A 71 9.010 4.834 -12.169 1.00 0.00 O ATOM 1066 CB GLU A 71 6.832 3.409 -12.991 1.00 0.00 C ATOM 1067 CG GLU A 71 6.055 4.142 -11.895 1.00 0.00 C ATOM 1068 CD GLU A 71 5.231 5.290 -12.482 1.00 0.00 C ATOM 1069 OE1 GLU A 71 4.087 5.011 -12.900 1.00 0.00 O ATOM 1070 OE2 GLU A 71 5.764 6.420 -12.499 1.00 0.00 O ATOM 0 H GLU A 71 6.900 2.211 -10.695 1.00 0.00 H new ATOM 0 HA GLU A 71 8.437 2.021 -13.191 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.178 4.124 -13.737 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.172 2.709 -13.503 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.396 3.442 -11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.749 4.531 -11.150 1.00 0.00 H new ATOM 1077 N GLY A 72 10.148 3.067 -11.334 1.00 0.00 N ATOM 1078 CA GLY A 72 11.259 3.869 -10.850 1.00 0.00 C ATOM 1079 C GLY A 72 11.933 3.203 -9.649 1.00 0.00 C ATOM 1080 O GLY A 72 13.075 3.520 -9.320 1.00 0.00 O ATOM 0 H GLY A 72 10.235 2.066 -11.156 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.987 4.008 -11.649 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.902 4.859 -10.568 1.00 0.00 H new ATOM 1084 N LEU A 73 11.198 2.293 -9.027 1.00 0.00 N ATOM 1085 CA LEU A 73 11.711 1.581 -7.869 1.00 0.00 C ATOM 1086 C LEU A 73 13.094 1.015 -8.196 1.00 0.00 C ATOM 1087 O LEU A 73 13.217 0.083 -8.989 1.00 0.00 O ATOM 1088 CB LEU A 73 10.708 0.523 -7.404 1.00 0.00 C ATOM 1089 CG LEU A 73 9.948 0.839 -6.115 1.00 0.00 C ATOM 1090 CD1 LEU A 73 8.466 1.091 -6.399 1.00 0.00 C ATOM 1091 CD2 LEU A 73 10.153 -0.262 -5.073 1.00 0.00 C ATOM 0 H LEU A 73 10.251 2.032 -9.303 1.00 0.00 H new ATOM 0 HA LEU A 73 11.835 2.262 -7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.981 0.365 -8.201 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.240 -0.418 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 73 10.356 1.759 -5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.949 1.313 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.365 1.936 -7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.027 0.203 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.602 -0.012 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.789 -1.210 -5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.214 -0.349 -4.840 1.00 0.00 H new ATOM 1103 N THR A 74 14.102 1.603 -7.568 1.00 0.00 N ATOM 1104 CA THR A 74 15.472 1.170 -7.781 1.00 0.00 C ATOM 1105 C THR A 74 15.719 -0.176 -7.096 1.00 0.00 C ATOM 1106 O THR A 74 14.779 -0.826 -6.641 1.00 0.00 O ATOM 1107 CB THR A 74 16.402 2.281 -7.290 1.00 0.00 C ATOM 1108 OG1 THR A 74 16.347 2.177 -5.870 1.00 0.00 O ATOM 1109 CG2 THR A 74 15.850 3.678 -7.583 1.00 0.00 C ATOM 0 H THR A 74 13.997 2.376 -6.911 1.00 0.00 H new ATOM 0 HA THR A 74 15.673 1.003 -8.839 1.00 0.00 H new ATOM 0 HB THR A 74 17.379 2.171 -7.760 1.00 0.00 H new ATOM 0 HG1 THR A 74 16.791 2.953 -5.468 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.548 4.430 -7.214 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.720 3.800 -8.658 1.00 0.00 H new ATOM 0 HG23 THR A 74 14.888 3.801 -7.085 1.00 0.00 H new ATOM 1117 N GLU A 75 16.988 -0.553 -7.045 1.00 0.00 N ATOM 1118 CA GLU A 75 17.370 -1.810 -6.423 1.00 0.00 C ATOM 1119 C GLU A 75 17.193 -1.727 -4.906 1.00 0.00 C ATOM 1120 O GLU A 75 16.669 -2.652 -4.287 1.00 0.00 O ATOM 1121 CB GLU A 75 18.807 -2.187 -6.788 1.00 0.00 C ATOM 1122 CG GLU A 75 18.835 -3.385 -7.739 1.00 0.00 C ATOM 1123 CD GLU A 75 19.915 -4.388 -7.326 1.00 0.00 C ATOM 1124 OE1 GLU A 75 20.103 -4.547 -6.100 1.00 0.00 O ATOM 1125 OE2 GLU A 75 20.527 -4.973 -8.245 1.00 0.00 O ATOM 0 H GLU A 75 17.764 -0.011 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 75 16.716 -2.595 -6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 75 19.303 -1.336 -7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.366 -2.424 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.861 -3.874 -7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.022 -3.042 -8.756 1.00 0.00 H new ATOM 1132 N LYS A 76 17.639 -0.610 -4.350 1.00 0.00 N ATOM 1133 CA LYS A 76 17.537 -0.394 -2.917 1.00 0.00 C ATOM 1134 C LYS A 76 16.095 -0.644 -2.470 1.00 0.00 C ATOM 1135 O LYS A 76 15.856 -1.387 -1.520 1.00 0.00 O ATOM 1136 CB LYS A 76 18.065 0.993 -2.545 1.00 0.00 C ATOM 1137 CG LYS A 76 17.032 1.771 -1.727 1.00 0.00 C ATOM 1138 CD LYS A 76 17.539 3.177 -1.399 1.00 0.00 C ATOM 1139 CE LYS A 76 18.653 3.128 -0.352 1.00 0.00 C ATOM 1140 NZ LYS A 76 19.925 3.622 -0.924 1.00 0.00 N ATOM 0 H LYS A 76 18.072 0.155 -4.867 1.00 0.00 H new ATOM 0 HA LYS A 76 18.166 -1.103 -2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.987 0.894 -1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.310 1.548 -3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.097 1.838 -2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.815 1.234 -0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.909 3.655 -2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.715 3.788 -1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.376 3.734 0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.780 2.106 0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.670 3.582 -0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.196 3.027 -1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.804 4.605 -1.242 1.00 0.00 H new ATOM 1154 N GLU A 77 15.172 -0.008 -3.176 1.00 0.00 N ATOM 1155 CA GLU A 77 13.760 -0.151 -2.864 1.00 0.00 C ATOM 1156 C GLU A 77 13.249 -1.515 -3.332 1.00 0.00 C ATOM 1157 O GLU A 77 12.524 -2.193 -2.606 1.00 0.00 O ATOM 1158 CB GLU A 77 12.943 0.983 -3.486 1.00 0.00 C ATOM 1159 CG GLU A 77 13.511 1.385 -4.848 1.00 0.00 C ATOM 1160 CD GLU A 77 14.212 2.743 -4.771 1.00 0.00 C ATOM 1161 OE1 GLU A 77 15.122 2.864 -3.923 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.822 3.629 -5.562 1.00 0.00 O ATOM 0 H GLU A 77 15.374 0.608 -3.963 1.00 0.00 H new ATOM 0 HA GLU A 77 13.639 -0.090 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.905 0.669 -3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.944 1.845 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.216 0.627 -5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.707 1.428 -5.583 1.00 0.00 H new ATOM 1169 N ILE A 78 13.647 -1.877 -4.543 1.00 0.00 N ATOM 1170 CA ILE A 78 13.239 -3.148 -5.117 1.00 0.00 C ATOM 1171 C ILE A 78 13.537 -4.271 -4.122 1.00 0.00 C ATOM 1172 O ILE A 78 12.843 -5.287 -4.100 1.00 0.00 O ATOM 1173 CB ILE A 78 13.889 -3.351 -6.487 1.00 0.00 C ATOM 1174 CG1 ILE A 78 13.123 -2.595 -7.575 1.00 0.00 C ATOM 1175 CG2 ILE A 78 14.027 -4.840 -6.813 1.00 0.00 C ATOM 1176 CD1 ILE A 78 12.388 -3.564 -8.502 1.00 0.00 C ATOM 0 H ILE A 78 14.248 -1.312 -5.143 1.00 0.00 H new ATOM 0 HA ILE A 78 12.164 -3.157 -5.296 1.00 0.00 H new ATOM 0 HB ILE A 78 14.895 -2.934 -6.453 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.408 -1.914 -7.114 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.816 -1.985 -8.156 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.492 -4.957 -7.792 1.00 0.00 H new ATOM 0 HG22 ILE A 78 14.647 -5.322 -6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 78 13.040 -5.303 -6.822 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.852 -3.001 -9.266 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.109 -4.228 -8.980 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.679 -4.155 -7.922 1.00 0.00 H new ATOM 1188 N ASN A 79 14.571 -4.051 -3.323 1.00 0.00 N ATOM 1189 CA ASN A 79 14.970 -5.033 -2.328 1.00 0.00 C ATOM 1190 C ASN A 79 14.139 -4.832 -1.059 1.00 0.00 C ATOM 1191 O ASN A 79 13.616 -5.793 -0.497 1.00 0.00 O ATOM 1192 CB ASN A 79 16.446 -4.873 -1.958 1.00 0.00 C ATOM 1193 CG ASN A 79 17.335 -5.718 -2.872 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.150 -6.914 -3.028 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.306 -5.032 -3.467 1.00 0.00 N ATOM 0 H ASN A 79 15.144 -3.208 -3.344 1.00 0.00 H new ATOM 0 HA ASN A 79 14.810 -6.025 -2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.732 -3.824 -2.035 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.599 -5.170 -0.920 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.952 -5.506 -4.098 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.405 -4.032 -3.292 1.00 0.00 H new ATOM 1202 N THR A 80 14.045 -3.577 -0.644 1.00 0.00 N ATOM 1203 CA THR A 80 13.288 -3.238 0.549 1.00 0.00 C ATOM 1204 C THR A 80 11.786 -3.310 0.266 1.00 0.00 C ATOM 1205 O THR A 80 11.033 -3.903 1.036 1.00 0.00 O ATOM 1206 CB THR A 80 13.751 -1.861 1.028 1.00 0.00 C ATOM 1207 OG1 THR A 80 15.072 -2.087 1.511 1.00 0.00 O ATOM 1208 CG2 THR A 80 12.981 -1.379 2.259 1.00 0.00 C ATOM 0 H THR A 80 14.481 -2.783 -1.113 1.00 0.00 H new ATOM 0 HA THR A 80 13.471 -3.954 1.350 1.00 0.00 H new ATOM 0 HB THR A 80 13.633 -1.138 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.712 -1.972 0.778 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.349 -0.397 2.557 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.919 -1.311 2.021 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.125 -2.084 3.077 1.00 0.00 H new ATOM 1216 N LEU A 81 11.396 -2.698 -0.843 1.00 0.00 N ATOM 1217 CA LEU A 81 9.998 -2.685 -1.238 1.00 0.00 C ATOM 1218 C LEU A 81 9.494 -4.125 -1.363 1.00 0.00 C ATOM 1219 O LEU A 81 8.520 -4.504 -0.714 1.00 0.00 O ATOM 1220 CB LEU A 81 9.808 -1.855 -2.509 1.00 0.00 C ATOM 1221 CG LEU A 81 8.447 -1.984 -3.197 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.406 -3.214 -4.106 1.00 0.00 C ATOM 1223 CD2 LEU A 81 7.312 -1.991 -2.171 1.00 0.00 C ATOM 0 H LEU A 81 12.024 -2.208 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 81 9.391 -2.199 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.970 -0.806 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.582 -2.137 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 81 8.301 -1.110 -3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.428 -3.282 -4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.177 -3.127 -4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.584 -4.111 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.356 -2.084 -2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.441 -2.833 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.329 -1.061 -1.603 1.00 0.00 H new ATOM 1235 N ASN A 82 10.181 -4.887 -2.201 1.00 0.00 N ATOM 1236 CA ASN A 82 9.815 -6.277 -2.419 1.00 0.00 C ATOM 1237 C ASN A 82 9.684 -6.983 -1.068 1.00 0.00 C ATOM 1238 O ASN A 82 8.843 -7.865 -0.904 1.00 0.00 O ATOM 1239 CB ASN A 82 10.885 -7.007 -3.233 1.00 0.00 C ATOM 1240 CG ASN A 82 10.791 -6.641 -4.716 1.00 0.00 C ATOM 1241 OD1 ASN A 82 10.547 -5.505 -5.087 1.00 0.00 O ATOM 1242 ND2 ASN A 82 10.997 -7.665 -5.539 1.00 0.00 N ATOM 0 H ASN A 82 10.988 -4.569 -2.737 1.00 0.00 H new ATOM 0 HA ASN A 82 8.872 -6.296 -2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.874 -6.750 -2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.767 -8.084 -3.112 1.00 0.00 H new ATOM 0 HD21 ASN A 82 10.955 -7.524 -6.548 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.197 -8.591 -5.161 1.00 0.00 H new ATOM 1249 N ASP A 83 10.530 -6.569 -0.136 1.00 0.00 N ATOM 1250 CA ASP A 83 10.520 -7.152 1.195 1.00 0.00 C ATOM 1251 C ASP A 83 9.325 -6.603 1.978 1.00 0.00 C ATOM 1252 O ASP A 83 8.729 -7.313 2.787 1.00 0.00 O ATOM 1253 CB ASP A 83 11.793 -6.792 1.964 1.00 0.00 C ATOM 1254 CG ASP A 83 12.604 -7.988 2.466 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.962 -8.991 2.844 1.00 0.00 O ATOM 1256 OD2 ASP A 83 13.849 -7.872 2.459 1.00 0.00 O ATOM 0 H ASP A 83 11.227 -5.837 -0.276 1.00 0.00 H new ATOM 0 HA ASP A 83 10.457 -8.235 1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.429 -6.185 1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.521 -6.172 2.818 1.00 0.00 H new ATOM 1261 N TRP A 84 9.010 -5.344 1.710 1.00 0.00 N ATOM 1262 CA TRP A 84 7.897 -4.693 2.379 1.00 0.00 C ATOM 1263 C TRP A 84 6.624 -5.474 2.049 1.00 0.00 C ATOM 1264 O TRP A 84 5.698 -5.530 2.858 1.00 0.00 O ATOM 1265 CB TRP A 84 7.810 -3.216 1.987 1.00 0.00 C ATOM 1266 CG TRP A 84 8.437 -2.264 3.008 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.513 -1.480 2.852 1.00 0.00 C ATOM 1268 CD2 TRP A 84 7.979 -2.025 4.355 1.00 0.00 C ATOM 1269 NE1 TRP A 84 9.781 -0.756 3.997 1.00 0.00 N ATOM 1270 CE2 TRP A 84 8.819 -1.099 4.940 1.00 0.00 C ATOM 1271 CE3 TRP A 84 6.892 -2.574 5.058 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 8.659 -0.640 6.253 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 6.746 -2.106 6.369 1.00 0.00 C ATOM 1274 CH2 TRP A 84 7.582 -1.173 6.971 1.00 0.00 C ATOM 0 H TRP A 84 9.506 -4.758 1.039 1.00 0.00 H new ATOM 0 HA TRP A 84 8.039 -4.700 3.460 1.00 0.00 H new ATOM 0 HB2 TRP A 84 8.303 -3.076 1.025 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.762 -2.948 1.851 1.00 0.00 H new ATOM 0 HD1 TRP A 84 10.097 -1.422 1.945 1.00 0.00 H new ATOM 0 HE1 TRP A 84 10.544 -0.092 4.127 1.00 0.00 H new ATOM 0 HE3 TRP A 84 6.222 -3.300 4.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 9.330 0.086 6.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.927 -2.497 6.954 1.00 0.00 H new ATOM 0 HH2 TRP A 84 7.401 -0.860 7.989 1.00 0.00 H new ATOM 1285 N GLU A 85 6.617 -6.058 0.860 1.00 0.00 N ATOM 1286 CA GLU A 85 5.473 -6.834 0.413 1.00 0.00 C ATOM 1287 C GLU A 85 5.311 -8.087 1.277 1.00 0.00 C ATOM 1288 O GLU A 85 4.220 -8.371 1.767 1.00 0.00 O ATOM 1289 CB GLU A 85 5.603 -7.201 -1.066 1.00 0.00 C ATOM 1290 CG GLU A 85 5.004 -8.581 -1.344 1.00 0.00 C ATOM 1291 CD GLU A 85 6.031 -9.687 -1.091 1.00 0.00 C ATOM 1292 OE1 GLU A 85 7.192 -9.489 -1.511 1.00 0.00 O ATOM 1293 OE2 GLU A 85 5.633 -10.704 -0.484 1.00 0.00 O ATOM 0 H GLU A 85 7.386 -6.009 0.192 1.00 0.00 H new ATOM 0 HA GLU A 85 4.578 -6.222 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.098 -6.452 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.654 -7.192 -1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.132 -8.737 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.659 -8.630 -2.377 1.00 0.00 H new ATOM 1300 N THR A 86 6.415 -8.803 1.437 1.00 0.00 N ATOM 1301 CA THR A 86 6.409 -10.019 2.233 1.00 0.00 C ATOM 1302 C THR A 86 6.007 -9.709 3.676 1.00 0.00 C ATOM 1303 O THR A 86 5.392 -10.539 4.344 1.00 0.00 O ATOM 1304 CB THR A 86 7.788 -10.669 2.112 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.703 -11.446 0.920 1.00 0.00 O ATOM 1306 CG2 THR A 86 8.047 -11.701 3.211 1.00 0.00 C ATOM 0 H THR A 86 7.319 -8.564 1.029 1.00 0.00 H new ATOM 0 HA THR A 86 5.666 -10.728 1.868 1.00 0.00 H new ATOM 0 HB THR A 86 8.557 -9.897 2.150 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.786 -11.416 0.574 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.039 -12.132 3.079 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.989 -11.217 4.186 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.298 -12.490 3.153 1.00 0.00 H new ATOM 1314 N LYS A 87 6.371 -8.513 4.114 1.00 0.00 N ATOM 1315 CA LYS A 87 6.056 -8.084 5.466 1.00 0.00 C ATOM 1316 C LYS A 87 4.571 -7.726 5.550 1.00 0.00 C ATOM 1317 O LYS A 87 3.906 -8.045 6.535 1.00 0.00 O ATOM 1318 CB LYS A 87 6.988 -6.950 5.899 1.00 0.00 C ATOM 1319 CG LYS A 87 8.453 -7.329 5.676 1.00 0.00 C ATOM 1320 CD LYS A 87 9.308 -6.086 5.419 1.00 0.00 C ATOM 1321 CE LYS A 87 10.287 -5.847 6.570 1.00 0.00 C ATOM 1322 NZ LYS A 87 11.621 -5.476 6.047 1.00 0.00 N ATOM 0 H LYS A 87 6.881 -7.828 3.557 1.00 0.00 H new ATOM 0 HA LYS A 87 6.229 -8.895 6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.753 -6.046 5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.824 -6.722 6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.832 -7.861 6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.531 -8.010 4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.860 -6.206 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.663 -5.215 5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.910 -5.055 7.217 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.366 -6.747 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.273 -5.317 6.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.985 -6.244 5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.543 -4.605 5.484 1.00 0.00 H new ATOM 1336 N PHE A 88 4.094 -7.067 4.504 1.00 0.00 N ATOM 1337 CA PHE A 88 2.700 -6.662 4.447 1.00 0.00 C ATOM 1338 C PHE A 88 1.809 -7.823 4.000 1.00 0.00 C ATOM 1339 O PHE A 88 0.750 -8.057 4.580 1.00 0.00 O ATOM 1340 CB PHE A 88 2.603 -5.534 3.417 1.00 0.00 C ATOM 1341 CG PHE A 88 2.396 -4.148 4.030 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.262 -3.684 4.971 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.346 -3.379 3.634 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.070 -2.397 5.539 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.154 -2.092 4.203 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.020 -1.628 5.143 1.00 0.00 C ATOM 0 H PHE A 88 4.648 -6.804 3.689 1.00 0.00 H new ATOM 0 HA PHE A 88 2.365 -6.342 5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.514 -5.523 2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.778 -5.746 2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.095 -4.294 5.286 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.658 -3.747 2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.758 -2.028 6.286 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.320 -1.482 3.889 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.874 -0.649 5.575 1.00 0.00 H new ATOM 1356 N GLU A 89 2.272 -8.519 2.972 1.00 0.00 N ATOM 1357 CA GLU A 89 1.531 -9.650 2.440 1.00 0.00 C ATOM 1358 C GLU A 89 1.490 -10.787 3.464 1.00 0.00 C ATOM 1359 O GLU A 89 0.506 -11.520 3.544 1.00 0.00 O ATOM 1360 CB GLU A 89 2.132 -10.126 1.116 1.00 0.00 C ATOM 1361 CG GLU A 89 1.705 -11.562 0.805 1.00 0.00 C ATOM 1362 CD GLU A 89 0.217 -11.628 0.455 1.00 0.00 C ATOM 1363 OE1 GLU A 89 -0.119 -11.215 -0.676 1.00 0.00 O ATOM 1364 OE2 GLU A 89 -0.551 -12.091 1.327 1.00 0.00 O ATOM 0 H GLU A 89 3.151 -8.322 2.493 1.00 0.00 H new ATOM 0 HA GLU A 89 0.509 -9.328 2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.814 -9.465 0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.219 -10.069 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.295 -11.949 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.909 -12.200 1.665 1.00 0.00 H new ATOM 1371 N ALA A 90 2.572 -10.898 4.220 1.00 0.00 N ATOM 1372 CA ALA A 90 2.673 -11.933 5.235 1.00 0.00 C ATOM 1373 C ALA A 90 2.266 -11.353 6.591 1.00 0.00 C ATOM 1374 O ALA A 90 2.820 -11.729 7.623 1.00 0.00 O ATOM 1375 CB ALA A 90 4.093 -12.501 5.246 1.00 0.00 C ATOM 0 H ALA A 90 3.387 -10.288 4.150 1.00 0.00 H new ATOM 0 HA ALA A 90 1.995 -12.757 5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.168 -13.277 6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.322 -12.927 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.802 -11.704 5.469 1.00 0.00 H new ATOM 1381 N LYS A 91 1.301 -10.446 6.546 1.00 0.00 N ATOM 1382 CA LYS A 91 0.814 -9.810 7.758 1.00 0.00 C ATOM 1383 C LYS A 91 -0.597 -9.270 7.514 1.00 0.00 C ATOM 1384 O LYS A 91 -1.533 -9.624 8.229 1.00 0.00 O ATOM 1385 CB LYS A 91 1.804 -8.748 8.241 1.00 0.00 C ATOM 1386 CG LYS A 91 3.112 -9.390 8.707 1.00 0.00 C ATOM 1387 CD LYS A 91 3.959 -8.393 9.502 1.00 0.00 C ATOM 1388 CE LYS A 91 5.391 -8.902 9.670 1.00 0.00 C ATOM 1389 NZ LYS A 91 5.513 -9.713 10.902 1.00 0.00 N ATOM 0 H LYS A 91 0.843 -10.136 5.689 1.00 0.00 H new ATOM 0 HA LYS A 91 0.742 -10.537 8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.008 -8.042 7.436 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.362 -8.179 9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.894 -10.261 9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.675 -9.744 7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.969 -7.430 8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.510 -8.229 10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.674 -9.501 8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.080 -8.059 9.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.492 -10.050 11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.263 -9.131 11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.870 -10.528 10.846 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.704 -8.422 6.501 1.00 0.00 N ATOM 1404 CA TYR A 92 -1.985 -7.830 6.154 1.00 0.00 C ATOM 1405 C TYR A 92 -2.765 -8.733 5.196 1.00 0.00 C ATOM 1406 O TYR A 92 -2.180 -9.357 4.312 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.662 -6.513 5.446 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.243 -5.385 6.391 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.986 -5.121 7.523 1.00 0.00 C ATOM 1410 CD2 TYR A 92 -0.120 -4.632 6.111 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.591 -4.059 8.413 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.275 -3.571 7.001 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.480 -3.337 8.108 1.00 0.00 C ATOM 1414 OH TYR A 92 -0.107 -2.334 8.948 1.00 0.00 O ATOM 0 H TYR A 92 0.075 -8.131 5.910 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.596 -7.687 7.045 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.862 -6.686 4.726 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.537 -6.193 4.880 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.864 -5.711 7.742 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.462 -4.839 5.225 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.164 -3.841 9.302 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.151 -2.974 6.794 1.00 0.00 H new ATOM 0 HH TYR A 92 0.705 -1.905 8.605 1.00 0.00 H new ATOM 1424 N PRO A 93 -4.107 -8.774 5.409 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.973 -9.590 4.575 1.00 0.00 C ATOM 1426 C PRO A 93 -5.176 -8.946 3.202 1.00 0.00 C ATOM 1427 O PRO A 93 -5.416 -7.743 3.105 1.00 0.00 O ATOM 1428 CB PRO A 93 -6.265 -9.726 5.364 1.00 0.00 C ATOM 1429 CG PRO A 93 -6.246 -8.606 6.391 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.834 -8.048 6.447 1.00 0.00 C ATOM 0 HA PRO A 93 -4.548 -10.571 4.360 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.133 -9.641 4.710 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.325 -10.700 5.849 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.955 -7.824 6.116 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.547 -8.980 7.369 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.825 -6.974 6.260 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.385 -8.204 7.428 1.00 0.00 H new ATOM 1438 N VAL A 94 -5.072 -9.775 2.173 1.00 0.00 N ATOM 1439 CA VAL A 94 -5.241 -9.302 0.810 1.00 0.00 C ATOM 1440 C VAL A 94 -6.713 -9.426 0.411 1.00 0.00 C ATOM 1441 O VAL A 94 -7.219 -10.531 0.224 1.00 0.00 O ATOM 1442 CB VAL A 94 -4.302 -10.062 -0.128 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -4.468 -9.587 -1.573 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -2.848 -9.932 0.328 1.00 0.00 C ATOM 0 H VAL A 94 -4.873 -10.772 2.257 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.971 -8.249 0.735 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.572 -11.117 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.789 -10.143 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.495 -9.755 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.238 -8.523 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.202 -10.482 -0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.561 -8.881 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.744 -10.341 1.333 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.360 -8.275 0.293 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.764 -8.241 -0.081 1.00 0.00 C ATOM 1456 C VAL A 95 -8.881 -8.211 -1.606 1.00 0.00 C ATOM 1457 O VAL A 95 -9.962 -8.420 -2.153 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.456 -7.056 0.595 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -9.235 -7.082 2.109 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -8.984 -5.730 -0.005 1.00 0.00 C ATOM 0 H VAL A 95 -6.938 -7.360 0.450 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.274 -9.140 0.266 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.527 -7.145 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.737 -6.229 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.643 -8.005 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.167 -7.030 2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.491 -4.904 0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.907 -5.631 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.217 -5.709 -1.070 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.752 -7.949 -2.249 1.00 0.00 N ATOM 1471 CA GLY A 96 -7.715 -7.889 -3.700 1.00 0.00 C ATOM 1472 C GLY A 96 -6.350 -7.406 -4.194 1.00 0.00 C ATOM 1473 O GLY A 96 -5.441 -7.180 -3.396 1.00 0.00 O ATOM 0 H GLY A 96 -6.857 -7.776 -1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.928 -8.875 -4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.494 -7.217 -4.060 1.00 0.00 H new ATOM 1477 N ARG A 97 -6.248 -7.261 -5.507 1.00 0.00 N ATOM 1478 CA ARG A 97 -5.009 -6.809 -6.117 1.00 0.00 C ATOM 1479 C ARG A 97 -5.262 -5.569 -6.977 1.00 0.00 C ATOM 1480 O ARG A 97 -6.245 -5.512 -7.715 1.00 0.00 O ATOM 1481 CB ARG A 97 -4.389 -7.906 -6.984 1.00 0.00 C ATOM 1482 CG ARG A 97 -5.006 -7.911 -8.385 1.00 0.00 C ATOM 1483 CD ARG A 97 -4.226 -6.994 -9.330 1.00 0.00 C ATOM 1484 NE ARG A 97 -3.617 -7.790 -10.419 1.00 0.00 N ATOM 1485 CZ ARG A 97 -4.318 -8.482 -11.327 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -5.657 -8.479 -11.283 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -3.681 -9.176 -12.280 1.00 0.00 N ATOM 0 H ARG A 97 -7.004 -7.449 -6.166 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.315 -6.562 -5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -3.312 -7.752 -7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.541 -8.877 -6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.012 -8.927 -8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.045 -7.584 -8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.891 -6.239 -9.749 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -3.450 -6.464 -8.778 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.599 -7.813 -10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.142 -7.950 -10.558 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.191 -9.006 -11.974 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.662 -9.178 -12.314 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.216 -9.703 -12.971 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.359 -4.608 -6.854 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.472 -3.373 -7.612 1.00 0.00 C ATOM 1503 C VAL A 98 -4.497 -3.698 -9.107 1.00 0.00 C ATOM 1504 O VAL A 98 -3.657 -4.452 -9.596 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.342 -2.417 -7.226 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.275 -1.230 -8.190 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.496 -1.941 -5.780 1.00 0.00 C ATOM 0 H VAL A 98 -3.546 -4.659 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.406 -2.863 -7.375 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.401 -2.963 -7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.463 -0.566 -7.893 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.095 -1.593 -9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.219 -0.685 -8.162 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.680 -1.263 -5.531 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.447 -1.421 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.471 -2.800 -5.110 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.468 -3.112 -9.791 1.00 0.00 N ATOM 1518 CA VAL A 99 -5.613 -3.329 -11.221 1.00 0.00 C ATOM 1519 C VAL A 99 -5.301 -2.029 -11.964 1.00 0.00 C ATOM 1520 O VAL A 99 -4.511 -2.022 -12.906 1.00 0.00 O ATOM 1521 CB VAL A 99 -7.009 -3.874 -11.529 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -6.997 -5.402 -11.607 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -8.028 -3.386 -10.496 1.00 0.00 C ATOM 0 H VAL A 99 -6.162 -2.487 -9.382 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.902 -4.080 -11.567 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.310 -3.491 -12.504 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.002 -5.763 -11.827 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.316 -5.721 -12.396 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.665 -5.812 -10.653 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.012 -3.788 -10.738 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.731 -3.726 -9.504 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.067 -2.297 -10.510 1.00 0.00 H new ATOM 1533 N SER A 100 -5.939 -0.959 -11.512 1.00 0.00 N ATOM 1534 CA SER A 100 -5.740 0.345 -12.122 1.00 0.00 C ATOM 1535 C SER A 100 -5.782 0.221 -13.647 1.00 0.00 C ATOM 1536 O SER A 100 -4.765 0.393 -14.316 1.00 0.00 O ATOM 1537 CB SER A 100 -4.413 0.964 -11.677 1.00 0.00 C ATOM 1538 OG SER A 100 -4.480 2.387 -11.623 1.00 0.00 O ATOM 0 H SER A 100 -6.594 -0.969 -10.730 1.00 0.00 H new ATOM 0 HA SER A 100 -6.545 1.003 -11.794 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.143 0.576 -10.695 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.624 0.664 -12.366 1.00 0.00 H new ATOM 0 HG SER A 100 -3.615 2.744 -11.334 1.00 0.00 H new