USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 864 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 500 HECFE :(H bumps) USER MOD NoAdj-H: A 500 HEC HAC : A 500 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC HAB : A 500 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC H2D : A 500 HEC O2D : A 500 HEC CGD :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 80 MET CE :methyl -122:sc= -4.72! (180deg=-11.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -128:sc= -0.0295 (180deg=-0.119) USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0122) USER MOD Single : A 8 LYS NZ :NH3+ 150:sc= -3.05! (180deg=-3.92!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -120:sc= -3.07! (180deg=-6.7!) USER MOD Single : A 15 SER OG : rot -92:sc= 1.13 USER MOD Single : A 16 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.093) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.792 USER MOD Single : A 22 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 26 HIS : no HD1:sc= -0.621 X(o=-0.62,f=-0.31) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00467 USER MOD Single : A 31 ASN : amide:sc= -1.25 K(o=-1.3,f=-5.2!) USER MOD Single : A 33 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.00078) USER MOD Single : A 39 LYS NZ :NH3+ 134:sc= -0.17 (180deg=-0.787) USER MOD Single : A 40 THR OG1 : rot 83:sc= 0.695 USER MOD Single : A 42 GLN : amide:sc= -1.03 X(o=-1,f=-0.59) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 48 TYR OH : rot 180:sc= -4.38! USER MOD Single : A 49 THR OG1 : rot -110:sc= 0.0962 USER MOD Single : A 52 ASN : amide:sc= -2.7 K(o=-2.7,f=-5.8!) USER MOD Single : A 53 LYS NZ :NH3+ -158:sc=-0.00149 (180deg=-0.548) USER MOD Single : A 54 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.04) USER MOD Single : A 55 LYS NZ :NH3+ -121:sc= 0.774 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -110:sc= -1.38! USER MOD Single : A 65 MET CE :methyl -124:sc= -7.76! (180deg=-9.12!) USER MOD Single : A 70 ASN : amide:sc= -0.915 K(o=-0.92,f=-6.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -112:sc= -1.53 (180deg=-4.32!) USER MOD Single : A 74 TYR OH : rot 180:sc=-0.00687 USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 79 LYS NZ :NH3+ -176:sc= -0.608 (180deg=-0.636) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -160:sc= 0.0593 USER MOD Single : A 99 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0332) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -88:sc= 0.856 USER MOD Single : A 103 ASN : amide:sc= -0.048 K(o=-0.048,f=0.77) USER MOD Single : A 500 HEC O2A : rot 46:sc= -5.48! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.581 0.781 -0.284 1.00 24.45 N ATOM 2 CA GLY A 1 2.647 0.371 -1.182 1.00 4.32 C ATOM 3 C GLY A 1 2.358 -1.005 -1.785 1.00 34.12 C ATOM 4 O GLY A 1 2.765 -2.027 -1.232 1.00 52.20 O ATOM 0 H1 GLY A 1 1.801 1.717 0.112 1.00 24.45 H new ATOM 0 H2 GLY A 1 0.684 0.829 -0.809 1.00 24.45 H new ATOM 0 H3 GLY A 1 1.493 0.091 0.489 1.00 24.45 H new ATOM 0 HA2 GLY A 1 2.758 1.105 -1.980 1.00 4.32 H new ATOM 0 HA3 GLY A 1 3.593 0.343 -0.641 1.00 4.32 H new ATOM 8 N ASP A 2 1.657 -0.989 -2.909 1.00 42.55 N ATOM 9 CA ASP A 2 1.308 -2.222 -3.592 1.00 3.31 C ATOM 10 C ASP A 2 2.583 -3.017 -3.882 1.00 4.41 C ATOM 11 O ASP A 2 3.684 -2.471 -3.836 1.00 51.34 O ATOM 12 CB ASP A 2 0.617 -1.936 -4.926 1.00 52.41 C ATOM 13 CG ASP A 2 -0.508 -0.901 -4.862 1.00 63.04 C ATOM 14 OD1 ASP A 2 -0.742 -0.276 -3.818 1.00 4.01 O ATOM 15 OD2 ASP A 2 -1.168 -0.745 -5.960 1.00 63.42 O1- ATOM 0 H ASP A 2 1.321 -0.140 -3.364 1.00 42.55 H new ATOM 0 HA ASP A 2 0.631 -2.784 -2.948 1.00 3.31 H new ATOM 0 HB2 ASP A 2 1.366 -1.593 -5.640 1.00 52.41 H new ATOM 0 HB3 ASP A 2 0.210 -2.869 -5.315 1.00 52.41 H new ATOM 21 N VAL A 3 2.391 -4.296 -4.174 1.00 75.13 N ATOM 22 CA VAL A 3 3.512 -5.172 -4.471 1.00 75.34 C ATOM 23 C VAL A 3 3.470 -5.564 -5.950 1.00 13.43 C ATOM 24 O VAL A 3 4.502 -5.603 -6.616 1.00 74.44 O ATOM 25 CB VAL A 3 3.496 -6.379 -3.532 1.00 52.14 C ATOM 26 CG1 VAL A 3 2.064 -6.748 -3.138 1.00 34.45 C ATOM 27 CG2 VAL A 3 4.217 -7.573 -4.160 1.00 44.44 C ATOM 0 H VAL A 3 1.476 -4.746 -4.211 1.00 75.13 H new ATOM 0 HA VAL A 3 4.456 -4.656 -4.298 1.00 75.34 H new ATOM 0 HB VAL A 3 4.033 -6.104 -2.624 1.00 52.14 H new ATOM 0 HG11 VAL A 3 2.081 -7.609 -2.470 1.00 34.45 H new ATOM 0 HG12 VAL A 3 1.597 -5.904 -2.630 1.00 34.45 H new ATOM 0 HG13 VAL A 3 1.492 -6.994 -4.033 1.00 34.45 H new ATOM 0 HG21 VAL A 3 4.191 -8.417 -3.471 1.00 44.44 H new ATOM 0 HG22 VAL A 3 3.722 -7.849 -5.091 1.00 44.44 H new ATOM 0 HG23 VAL A 3 5.253 -7.305 -4.366 1.00 44.44 H new ATOM 37 N GLU A 4 2.262 -5.845 -6.419 1.00 51.25 N ATOM 38 CA GLU A 4 2.071 -6.233 -7.806 1.00 54.55 C ATOM 39 C GLU A 4 2.773 -5.241 -8.737 1.00 41.14 C ATOM 40 O GLU A 4 3.566 -5.638 -9.589 1.00 54.03 O ATOM 41 CB GLU A 4 0.584 -6.344 -8.145 1.00 30.12 C ATOM 42 CG GLU A 4 -0.075 -7.480 -7.359 1.00 30.34 C ATOM 43 CD GLU A 4 -1.587 -7.272 -7.258 1.00 64.34 C ATOM 44 OE1 GLU A 4 -2.362 -8.129 -7.708 1.00 52.43 O ATOM 45 OE2 GLU A 4 -1.950 -6.174 -6.685 1.00 73.12 O1- ATOM 0 H GLU A 4 1.407 -5.812 -5.863 1.00 51.25 H new ATOM 0 HA GLU A 4 2.517 -7.217 -7.952 1.00 54.55 H new ATOM 0 HB2 GLU A 4 0.084 -5.402 -7.918 1.00 30.12 H new ATOM 0 HB3 GLU A 4 0.463 -6.519 -9.214 1.00 30.12 H new ATOM 0 HG2 GLU A 4 0.133 -8.433 -7.847 1.00 30.34 H new ATOM 0 HG3 GLU A 4 0.356 -7.533 -6.359 1.00 30.34 H new ATOM 53 N LYS A 5 2.455 -3.970 -8.542 1.00 75.51 N ATOM 54 CA LYS A 5 3.045 -2.918 -9.352 1.00 13.03 C ATOM 55 C LYS A 5 4.569 -3.037 -9.304 1.00 44.51 C ATOM 56 O LYS A 5 5.261 -2.570 -10.206 1.00 62.31 O ATOM 57 CB LYS A 5 2.520 -1.548 -8.917 1.00 32.11 C ATOM 58 CG LYS A 5 1.101 -1.315 -9.436 1.00 40.51 C ATOM 59 CD LYS A 5 1.043 -1.456 -10.958 1.00 51.43 C ATOM 60 CE LYS A 5 2.277 -0.834 -11.614 1.00 34.33 C ATOM 61 NZ LYS A 5 2.315 0.626 -11.366 1.00 61.11 N1+ ATOM 0 H LYS A 5 1.796 -3.645 -7.835 1.00 75.51 H new ATOM 0 HA LYS A 5 2.750 -3.030 -10.395 1.00 13.03 H new ATOM 0 HB2 LYS A 5 2.529 -1.480 -7.829 1.00 32.11 H new ATOM 0 HB3 LYS A 5 3.181 -0.766 -9.291 1.00 32.11 H new ATOM 0 HG2 LYS A 5 0.420 -2.030 -8.975 1.00 40.51 H new ATOM 0 HG3 LYS A 5 0.763 -0.320 -9.146 1.00 40.51 H new ATOM 0 HD2 LYS A 5 0.976 -2.510 -11.227 1.00 51.43 H new ATOM 0 HD3 LYS A 5 0.143 -0.973 -11.337 1.00 51.43 H new ATOM 0 HE2 LYS A 5 3.180 -1.300 -11.219 1.00 34.33 H new ATOM 0 HE3 LYS A 5 2.262 -1.027 -12.687 1.00 34.33 H new ATOM 0 HZ1 LYS A 5 2.433 1.129 -12.269 1.00 61.11 H new ATOM 0 HZ2 LYS A 5 1.426 0.925 -10.917 1.00 61.11 H new ATOM 0 HZ3 LYS A 5 3.113 0.851 -10.738 1.00 61.11 H new ATOM 74 N GLY A 6 5.048 -3.665 -8.239 1.00 33.14 N ATOM 75 CA GLY A 6 6.479 -3.850 -8.060 1.00 41.25 C ATOM 76 C GLY A 6 6.914 -5.239 -8.534 1.00 61.35 C ATOM 77 O GLY A 6 8.085 -5.455 -8.840 1.00 72.04 O ATOM 0 H GLY A 6 4.471 -4.052 -7.492 1.00 33.14 H new ATOM 0 HA2 GLY A 6 7.021 -3.085 -8.616 1.00 41.25 H new ATOM 0 HA3 GLY A 6 6.737 -3.723 -7.009 1.00 41.25 H new ATOM 81 N LYS A 7 5.947 -6.144 -8.579 1.00 54.25 N ATOM 82 CA LYS A 7 6.217 -7.505 -9.010 1.00 13.43 C ATOM 83 C LYS A 7 6.401 -7.528 -10.529 1.00 11.22 C ATOM 84 O LYS A 7 7.020 -8.444 -11.069 1.00 40.24 O ATOM 85 CB LYS A 7 5.124 -8.451 -8.509 1.00 12.01 C ATOM 86 CG LYS A 7 5.560 -9.912 -8.643 1.00 61.14 C ATOM 87 CD LYS A 7 4.942 -10.771 -7.538 1.00 21.42 C ATOM 88 CE LYS A 7 3.439 -10.510 -7.416 1.00 53.44 C ATOM 89 NZ LYS A 7 2.731 -10.985 -8.625 1.00 74.43 N1+ ATOM 0 H LYS A 7 4.976 -5.961 -8.324 1.00 54.25 H new ATOM 0 HA LYS A 7 7.147 -7.867 -8.571 1.00 13.43 H new ATOM 0 HB2 LYS A 7 4.896 -8.230 -7.466 1.00 12.01 H new ATOM 0 HB3 LYS A 7 4.208 -8.287 -9.077 1.00 12.01 H new ATOM 0 HG2 LYS A 7 5.261 -10.297 -9.618 1.00 61.14 H new ATOM 0 HG3 LYS A 7 6.647 -9.977 -8.594 1.00 61.14 H new ATOM 0 HD2 LYS A 7 5.115 -11.826 -7.752 1.00 21.42 H new ATOM 0 HD3 LYS A 7 5.431 -10.554 -6.588 1.00 21.42 H new ATOM 0 HE2 LYS A 7 3.046 -11.017 -6.535 1.00 53.44 H new ATOM 0 HE3 LYS A 7 3.259 -9.444 -7.277 1.00 53.44 H new ATOM 0 HZ1 LYS A 7 1.705 -10.878 -8.491 1.00 74.43 H new ATOM 0 HZ2 LYS A 7 3.033 -10.424 -9.447 1.00 74.43 H new ATOM 0 HZ3 LYS A 7 2.956 -11.987 -8.788 1.00 74.43 H new ATOM 102 N LYS A 8 5.853 -6.509 -11.175 1.00 45.33 N ATOM 103 CA LYS A 8 5.951 -6.400 -12.620 1.00 12.01 C ATOM 104 C LYS A 8 7.249 -5.680 -12.988 1.00 54.24 C ATOM 105 O LYS A 8 7.954 -6.093 -13.906 1.00 40.24 O ATOM 106 CB LYS A 8 4.696 -5.737 -13.192 1.00 14.42 C ATOM 107 CG LYS A 8 3.440 -6.524 -12.817 1.00 34.03 C ATOM 108 CD LYS A 8 3.446 -7.910 -13.466 1.00 33.34 C ATOM 109 CE LYS A 8 3.534 -7.801 -14.989 1.00 60.43 C ATOM 110 NZ LYS A 8 4.946 -7.701 -15.422 1.00 31.43 N1+ ATOM 0 H LYS A 8 5.340 -5.752 -10.724 1.00 45.33 H new ATOM 0 HA LYS A 8 5.997 -7.390 -13.074 1.00 12.01 H new ATOM 0 HB2 LYS A 8 4.616 -4.717 -12.816 1.00 14.42 H new ATOM 0 HB3 LYS A 8 4.778 -5.671 -14.277 1.00 14.42 H new ATOM 0 HG2 LYS A 8 3.381 -6.626 -11.733 1.00 34.03 H new ATOM 0 HG3 LYS A 8 2.554 -5.974 -13.134 1.00 34.03 H new ATOM 0 HD2 LYS A 8 4.290 -8.488 -13.090 1.00 33.34 H new ATOM 0 HD3 LYS A 8 2.541 -8.450 -13.188 1.00 33.34 H new ATOM 0 HE2 LYS A 8 3.067 -8.672 -15.449 1.00 60.43 H new ATOM 0 HE3 LYS A 8 2.980 -6.926 -15.329 1.00 60.43 H new ATOM 0 HZ1 LYS A 8 5.050 -8.123 -16.367 1.00 31.43 H new ATOM 0 HZ2 LYS A 8 5.229 -6.701 -15.456 1.00 31.43 H new ATOM 0 HZ3 LYS A 8 5.553 -8.209 -14.747 1.00 31.43 H new ATOM 123 N ILE A 9 7.526 -4.614 -12.250 1.00 72.22 N ATOM 124 CA ILE A 9 8.728 -3.833 -12.487 1.00 63.35 C ATOM 125 C ILE A 9 9.945 -4.611 -11.984 1.00 74.32 C ATOM 126 O ILE A 9 11.084 -4.230 -12.250 1.00 34.45 O ATOM 127 CB ILE A 9 8.591 -2.439 -11.869 1.00 33.41 C ATOM 128 CG1 ILE A 9 7.505 -1.628 -12.579 1.00 13.20 C ATOM 129 CG2 ILE A 9 9.935 -1.710 -11.858 1.00 10.42 C ATOM 130 CD1 ILE A 9 6.953 -0.532 -11.666 1.00 3.44 C ATOM 0 H ILE A 9 6.939 -4.274 -11.488 1.00 72.22 H new ATOM 0 HA ILE A 9 8.872 -3.671 -13.555 1.00 63.35 H new ATOM 0 HB ILE A 9 8.279 -2.555 -10.831 1.00 33.41 H new ATOM 0 HG12 ILE A 9 7.914 -1.180 -13.484 1.00 13.20 H new ATOM 0 HG13 ILE A 9 6.696 -2.290 -12.889 1.00 13.20 H new ATOM 0 HG21 ILE A 9 9.810 -0.722 -11.414 1.00 10.42 H new ATOM 0 HG22 ILE A 9 10.655 -2.282 -11.273 1.00 10.42 H new ATOM 0 HG23 ILE A 9 10.300 -1.605 -12.880 1.00 10.42 H new ATOM 0 HD11 ILE A 9 6.183 0.029 -12.196 1.00 3.44 H new ATOM 0 HD12 ILE A 9 6.522 -0.985 -10.773 1.00 3.44 H new ATOM 0 HD13 ILE A 9 7.760 0.142 -11.378 1.00 3.44 H new ATOM 142 N PHE A 10 9.663 -5.688 -11.266 1.00 22.51 N ATOM 143 CA PHE A 10 10.721 -6.524 -10.725 1.00 30.30 C ATOM 144 C PHE A 10 11.149 -7.591 -11.734 1.00 54.03 C ATOM 145 O PHE A 10 12.286 -8.060 -11.704 1.00 62.33 O ATOM 146 CB PHE A 10 10.153 -7.214 -9.482 1.00 71.01 C ATOM 147 CG PHE A 10 10.880 -8.506 -9.102 1.00 62.01 C ATOM 148 CD1 PHE A 10 12.099 -8.449 -8.503 1.00 53.24 C ATOM 149 CD2 PHE A 10 10.305 -9.710 -9.362 1.00 65.44 C ATOM 150 CE1 PHE A 10 12.772 -9.649 -8.150 1.00 45.31 C ATOM 151 CE2 PHE A 10 10.978 -10.909 -9.009 1.00 63.41 C ATOM 152 CZ PHE A 10 12.198 -10.853 -8.410 1.00 72.24 C ATOM 0 H PHE A 10 8.717 -6.001 -11.046 1.00 22.51 H new ATOM 0 HA PHE A 10 11.593 -5.914 -10.491 1.00 30.30 H new ATOM 0 HB2 PHE A 10 10.200 -6.522 -8.641 1.00 71.01 H new ATOM 0 HB3 PHE A 10 9.100 -7.438 -9.652 1.00 71.01 H new ATOM 0 HD1 PHE A 10 12.555 -7.492 -8.296 1.00 53.24 H new ATOM 0 HD2 PHE A 10 9.336 -9.754 -9.837 1.00 65.44 H new ATOM 0 HE1 PHE A 10 13.741 -9.605 -7.675 1.00 45.31 H new ATOM 0 HE2 PHE A 10 10.521 -11.866 -9.216 1.00 63.41 H new ATOM 0 HZ PHE A 10 12.710 -11.765 -8.141 1.00 72.24 H new ATOM 162 N ILE A 11 10.216 -7.943 -12.607 1.00 5.51 N ATOM 163 CA ILE A 11 10.482 -8.945 -13.624 1.00 1.20 C ATOM 164 C ILE A 11 11.164 -8.282 -14.822 1.00 50.30 C ATOM 165 O ILE A 11 12.347 -8.506 -15.070 1.00 63.10 O ATOM 166 CB ILE A 11 9.199 -9.697 -13.986 1.00 12.30 C ATOM 167 CG1 ILE A 11 8.707 -10.540 -12.808 1.00 73.50 C ATOM 168 CG2 ILE A 11 9.392 -10.535 -15.251 1.00 74.44 C ATOM 169 CD1 ILE A 11 7.366 -11.201 -13.129 1.00 31.21 C ATOM 0 H ILE A 11 9.274 -7.551 -12.630 1.00 5.51 H new ATOM 0 HA ILE A 11 11.169 -9.700 -13.243 1.00 1.20 H new ATOM 0 HB ILE A 11 8.423 -8.963 -14.203 1.00 12.30 H new ATOM 0 HG12 ILE A 11 9.446 -11.305 -12.570 1.00 73.50 H new ATOM 0 HG13 ILE A 11 8.604 -9.911 -11.924 1.00 73.50 H new ATOM 0 HG21 ILE A 11 8.465 -11.059 -15.485 1.00 74.44 H new ATOM 0 HG22 ILE A 11 9.660 -9.883 -16.082 1.00 74.44 H new ATOM 0 HG23 ILE A 11 10.188 -11.262 -15.088 1.00 74.44 H new ATOM 0 HD11 ILE A 11 7.039 -11.794 -12.275 1.00 31.21 H new ATOM 0 HD12 ILE A 11 6.623 -10.432 -13.343 1.00 31.21 H new ATOM 0 HD13 ILE A 11 7.478 -11.848 -13.999 1.00 31.21 H new ATOM 181 N MET A 12 10.388 -7.477 -15.533 1.00 24.33 N ATOM 182 CA MET A 12 10.902 -6.778 -16.699 1.00 1.20 C ATOM 183 C MET A 12 12.341 -6.311 -16.468 1.00 33.53 C ATOM 184 O MET A 12 13.127 -6.222 -17.410 1.00 42.35 O ATOM 185 CB MET A 12 10.015 -5.568 -17.002 1.00 60.40 C ATOM 186 CG MET A 12 8.853 -5.957 -17.917 1.00 23.04 C ATOM 187 SD MET A 12 8.237 -4.514 -18.769 1.00 15.25 S ATOM 188 CE MET A 12 8.649 -4.947 -20.450 1.00 65.42 C ATOM 0 H MET A 12 9.407 -7.293 -15.324 1.00 24.33 H new ATOM 0 HA MET A 12 10.894 -7.466 -17.544 1.00 1.20 H new ATOM 0 HB2 MET A 12 9.627 -5.155 -16.071 1.00 60.40 H new ATOM 0 HB3 MET A 12 10.609 -4.786 -17.475 1.00 60.40 H new ATOM 0 HG2 MET A 12 9.183 -6.703 -18.640 1.00 23.04 H new ATOM 0 HG3 MET A 12 8.054 -6.412 -17.331 1.00 23.04 H new ATOM 0 HE1 MET A 12 8.331 -4.148 -21.120 1.00 65.42 H new ATOM 0 HE2 MET A 12 9.727 -5.086 -20.536 1.00 65.42 H new ATOM 0 HE3 MET A 12 8.141 -5.872 -20.722 1.00 65.42 H new ATOM 198 N LYS A 13 12.643 -6.027 -15.209 1.00 62.15 N ATOM 199 CA LYS A 13 13.973 -5.572 -14.843 1.00 62.04 C ATOM 200 C LYS A 13 14.746 -6.730 -14.208 1.00 3.45 C ATOM 201 O LYS A 13 15.771 -7.157 -14.735 1.00 2.42 O ATOM 202 CB LYS A 13 13.888 -4.329 -13.955 1.00 42.23 C ATOM 203 CG LYS A 13 13.851 -3.053 -14.800 1.00 64.41 C ATOM 204 CD LYS A 13 13.056 -1.952 -14.095 1.00 24.41 C ATOM 205 CE LYS A 13 12.099 -1.259 -15.066 1.00 3.12 C ATOM 206 NZ LYS A 13 10.741 -1.839 -14.959 1.00 43.44 N1+ ATOM 0 H LYS A 13 11.989 -6.103 -14.430 1.00 62.15 H new ATOM 0 HA LYS A 13 14.529 -5.265 -15.729 1.00 62.04 H new ATOM 0 HB2 LYS A 13 12.995 -4.383 -13.332 1.00 42.23 H new ATOM 0 HB3 LYS A 13 14.745 -4.299 -13.282 1.00 42.23 H new ATOM 0 HG2 LYS A 13 14.868 -2.708 -14.989 1.00 64.41 H new ATOM 0 HG3 LYS A 13 13.401 -3.267 -15.770 1.00 64.41 H new ATOM 0 HD2 LYS A 13 12.492 -2.380 -13.266 1.00 24.41 H new ATOM 0 HD3 LYS A 13 13.742 -1.219 -13.669 1.00 24.41 H new ATOM 0 HE2 LYS A 13 12.063 -0.191 -14.850 1.00 3.12 H new ATOM 0 HE3 LYS A 13 12.467 -1.366 -16.086 1.00 3.12 H new ATOM 0 HZ1 LYS A 13 10.459 -2.235 -15.878 1.00 43.44 H new ATOM 0 HZ2 LYS A 13 10.741 -2.593 -14.243 1.00 43.44 H new ATOM 0 HZ3 LYS A 13 10.068 -1.097 -14.681 1.00 43.44 H new ATOM 219 N CYS A 14 14.224 -7.203 -13.086 1.00 12.24 N ATOM 220 CA CYS A 14 14.852 -8.303 -12.374 1.00 32.54 C ATOM 221 C CYS A 14 14.129 -9.596 -12.753 1.00 32.32 C ATOM 222 O CYS A 14 13.486 -10.221 -11.911 1.00 22.25 O ATOM 223 CB CYS A 14 14.854 -8.071 -10.862 1.00 14.53 C ATOM 224 SG CYS A 14 14.639 -6.326 -10.354 1.00 23.33 S ATOM 0 H CYS A 14 13.373 -6.845 -12.652 1.00 12.24 H new ATOM 0 HA CYS A 14 15.900 -8.376 -12.665 1.00 32.54 H new ATOM 0 HB2 CYS A 14 14.057 -8.666 -10.416 1.00 14.53 H new ATOM 0 HB3 CYS A 14 15.794 -8.441 -10.453 1.00 14.53 H new ATOM 229 N SER A 15 14.258 -9.959 -14.020 1.00 63.31 N ATOM 230 CA SER A 15 13.625 -11.168 -14.521 1.00 52.21 C ATOM 231 C SER A 15 14.662 -12.284 -14.661 1.00 14.32 C ATOM 232 O SER A 15 15.742 -12.067 -15.207 1.00 24.42 O ATOM 233 CB SER A 15 12.934 -10.913 -15.862 1.00 24.11 C ATOM 234 OG SER A 15 13.619 -9.932 -16.636 1.00 62.04 O ATOM 0 H SER A 15 14.792 -9.437 -14.715 1.00 63.31 H new ATOM 0 HA SER A 15 12.864 -11.477 -13.804 1.00 52.21 H new ATOM 0 HB2 SER A 15 12.878 -11.845 -16.424 1.00 24.11 H new ATOM 0 HB3 SER A 15 11.909 -10.586 -15.686 1.00 24.11 H new ATOM 0 HG SER A 15 13.241 -9.047 -16.451 1.00 62.04 H new ATOM 240 N GLN A 16 14.297 -13.454 -14.157 1.00 3.25 N ATOM 241 CA GLN A 16 15.182 -14.605 -14.220 1.00 0.11 C ATOM 242 C GLN A 16 16.626 -14.177 -13.947 1.00 64.21 C ATOM 243 O GLN A 16 17.559 -14.713 -14.546 1.00 52.24 O ATOM 244 CB GLN A 16 15.066 -15.313 -15.570 1.00 55.01 C ATOM 245 CG GLN A 16 13.863 -16.259 -15.591 1.00 51.45 C ATOM 246 CD GLN A 16 12.583 -15.508 -15.965 1.00 65.25 C ATOM 247 OE1 GLN A 16 12.490 -14.864 -16.997 1.00 12.42 O ATOM 248 NE2 GLN A 16 11.605 -15.628 -15.073 1.00 43.12 N ATOM 0 H GLN A 16 13.401 -13.630 -13.703 1.00 3.25 H new ATOM 0 HA GLN A 16 14.881 -15.314 -13.449 1.00 0.11 H new ATOM 0 HB2 GLN A 16 14.966 -14.574 -16.365 1.00 55.01 H new ATOM 0 HB3 GLN A 16 15.979 -15.875 -15.770 1.00 55.01 H new ATOM 0 HG2 GLN A 16 14.040 -17.063 -16.306 1.00 51.45 H new ATOM 0 HG3 GLN A 16 13.744 -16.724 -14.612 1.00 51.45 H new ATOM 0 HE21 GLN A 16 11.749 -16.183 -14.229 1.00 43.12 H new ATOM 0 HE22 GLN A 16 10.710 -15.165 -15.232 1.00 43.12 H new ATOM 257 N CYS A 17 16.766 -13.220 -13.043 1.00 41.41 N ATOM 258 CA CYS A 17 18.081 -12.716 -12.684 1.00 75.41 C ATOM 259 C CYS A 17 18.219 -12.776 -11.162 1.00 51.53 C ATOM 260 O CYS A 17 19.232 -13.245 -10.645 1.00 52.44 O ATOM 261 CB CYS A 17 18.311 -11.302 -13.222 1.00 31.53 C ATOM 262 SG CYS A 17 19.953 -11.027 -13.981 1.00 22.31 S ATOM 0 H CYS A 17 15.991 -12.780 -12.548 1.00 41.41 H new ATOM 0 HA CYS A 17 18.849 -13.338 -13.143 1.00 75.41 H new ATOM 0 HB2 CYS A 17 17.542 -11.081 -13.963 1.00 31.53 H new ATOM 0 HB3 CYS A 17 18.180 -10.592 -12.405 1.00 31.53 H new ATOM 267 N HIS A 18 17.186 -12.295 -10.486 1.00 64.33 N ATOM 268 CA HIS A 18 17.180 -12.288 -9.033 1.00 50.04 C ATOM 269 C HIS A 18 16.219 -13.363 -8.519 1.00 45.23 C ATOM 270 O HIS A 18 15.529 -14.010 -9.305 1.00 13.43 O ATOM 271 CB HIS A 18 16.851 -10.893 -8.497 1.00 30.21 C ATOM 272 CG HIS A 18 18.063 -10.088 -8.096 1.00 12.01 C ATOM 273 ND1 HIS A 18 18.908 -10.466 -7.067 1.00 53.33 N ATOM 274 CD2 HIS A 18 18.565 -8.922 -8.596 1.00 63.45 C ATOM 275 CE1 HIS A 18 19.870 -9.562 -6.961 1.00 1.34 C ATOM 276 NE2 HIS A 18 19.655 -8.605 -7.910 1.00 4.41 N ATOM 0 H HIS A 18 16.347 -11.907 -10.918 1.00 64.33 H new ATOM 0 HA HIS A 18 18.175 -12.531 -8.660 1.00 50.04 H new ATOM 0 HB2 HIS A 18 16.298 -10.343 -9.259 1.00 30.21 H new ATOM 0 HB3 HIS A 18 16.192 -10.992 -7.635 1.00 30.21 H new ATOM 0 HD1 HIS A 18 18.807 -11.300 -6.488 1.00 53.33 H new ATOM 0 HD2 HIS A 18 18.146 -8.353 -9.413 1.00 63.45 H new ATOM 0 HE1 HIS A 18 20.682 -9.579 -6.249 1.00 1.34 H new ATOM 284 N THR A 19 16.206 -13.519 -7.203 1.00 3.13 N ATOM 285 CA THR A 19 15.341 -14.503 -6.575 1.00 10.30 C ATOM 286 C THR A 19 14.873 -14.006 -5.207 1.00 53.54 C ATOM 287 O THR A 19 15.622 -13.337 -4.496 1.00 63.55 O ATOM 288 CB THR A 19 16.103 -15.829 -6.512 1.00 22.40 C ATOM 289 OG1 THR A 19 17.408 -15.460 -6.074 1.00 12.31 O ATOM 290 CG2 THR A 19 16.334 -16.438 -7.897 1.00 53.02 C ATOM 0 H THR A 19 16.781 -12.980 -6.555 1.00 3.13 H new ATOM 0 HA THR A 19 14.432 -14.660 -7.156 1.00 10.30 H new ATOM 0 HB THR A 19 15.551 -16.535 -5.892 1.00 22.40 H new ATOM 0 HG1 THR A 19 17.968 -16.261 -6.004 1.00 12.31 H new ATOM 0 HG21 THR A 19 16.878 -17.377 -7.795 1.00 53.02 H new ATOM 0 HG22 THR A 19 15.373 -16.626 -8.377 1.00 53.02 H new ATOM 0 HG23 THR A 19 16.915 -15.746 -8.507 1.00 53.02 H new ATOM 298 N VAL A 20 13.637 -14.352 -4.878 1.00 23.12 N ATOM 299 CA VAL A 20 13.060 -13.949 -3.607 1.00 24.13 C ATOM 300 C VAL A 20 12.535 -15.186 -2.875 1.00 41.42 C ATOM 301 O VAL A 20 12.762 -15.345 -1.677 1.00 25.44 O ATOM 302 CB VAL A 20 11.982 -12.887 -3.836 1.00 32.22 C ATOM 303 CG1 VAL A 20 12.561 -11.661 -4.545 1.00 62.12 C ATOM 304 CG2 VAL A 20 10.799 -13.466 -4.617 1.00 12.44 C ATOM 0 H VAL A 20 13.019 -14.907 -5.470 1.00 23.12 H new ATOM 0 HA VAL A 20 13.818 -13.492 -2.971 1.00 24.13 H new ATOM 0 HB VAL A 20 11.615 -12.567 -2.861 1.00 32.22 H new ATOM 0 HG11 VAL A 20 11.774 -10.922 -4.695 1.00 62.12 H new ATOM 0 HG12 VAL A 20 13.353 -11.228 -3.934 1.00 62.12 H new ATOM 0 HG13 VAL A 20 12.969 -11.958 -5.511 1.00 62.12 H new ATOM 0 HG21 VAL A 20 10.047 -12.691 -4.766 1.00 12.44 H new ATOM 0 HG22 VAL A 20 11.144 -13.828 -5.585 1.00 12.44 H new ATOM 0 HG23 VAL A 20 10.362 -14.292 -4.056 1.00 12.44 H new ATOM 314 N GLU A 21 11.844 -16.030 -3.626 1.00 11.10 N ATOM 315 CA GLU A 21 11.286 -17.248 -3.064 1.00 25.04 C ATOM 316 C GLU A 21 12.389 -18.089 -2.419 1.00 12.30 C ATOM 317 O GLU A 21 13.545 -18.025 -2.832 1.00 52.20 O ATOM 318 CB GLU A 21 10.536 -18.051 -4.129 1.00 44.12 C ATOM 319 CG GLU A 21 11.501 -18.915 -4.944 1.00 55.24 C ATOM 320 CD GLU A 21 10.948 -19.182 -6.345 1.00 31.53 C ATOM 321 OE1 GLU A 21 10.133 -20.101 -6.525 1.00 42.20 O ATOM 322 OE2 GLU A 21 11.392 -18.396 -7.266 1.00 50.23 O1- ATOM 0 H GLU A 21 11.658 -15.895 -4.620 1.00 11.10 H new ATOM 0 HA GLU A 21 10.568 -16.972 -2.292 1.00 25.04 H new ATOM 0 HB2 GLU A 21 9.788 -18.685 -3.652 1.00 44.12 H new ATOM 0 HB3 GLU A 21 10.001 -17.371 -4.793 1.00 44.12 H new ATOM 0 HG2 GLU A 21 12.467 -18.415 -5.020 1.00 55.24 H new ATOM 0 HG3 GLU A 21 11.671 -19.861 -4.430 1.00 55.24 H new ATOM 330 N LYS A 22 11.992 -18.859 -1.416 1.00 73.14 N ATOM 331 CA LYS A 22 12.933 -19.712 -0.710 1.00 13.40 C ATOM 332 C LYS A 22 13.565 -20.693 -1.698 1.00 71.42 C ATOM 333 O LYS A 22 14.779 -20.896 -1.686 1.00 40.23 O ATOM 334 CB LYS A 22 12.251 -20.391 0.480 1.00 60.13 C ATOM 335 CG LYS A 22 13.285 -20.996 1.431 1.00 54.23 C ATOM 336 CD LYS A 22 12.628 -21.457 2.734 1.00 32.02 C ATOM 337 CE LYS A 22 12.256 -20.264 3.614 1.00 72.12 C ATOM 338 NZ LYS A 22 11.619 -20.722 4.869 1.00 5.33 N1+ ATOM 0 H LYS A 22 11.032 -18.910 -1.076 1.00 73.14 H new ATOM 0 HA LYS A 22 13.743 -19.118 -0.287 1.00 13.40 H new ATOM 0 HB2 LYS A 22 11.639 -19.665 1.016 1.00 60.13 H new ATOM 0 HB3 LYS A 22 11.580 -21.172 0.122 1.00 60.13 H new ATOM 0 HG2 LYS A 22 13.777 -21.841 0.949 1.00 54.23 H new ATOM 0 HG3 LYS A 22 14.058 -20.259 1.650 1.00 54.23 H new ATOM 0 HD2 LYS A 22 11.735 -22.039 2.508 1.00 32.02 H new ATOM 0 HD3 LYS A 22 13.308 -22.114 3.275 1.00 32.02 H new ATOM 0 HE2 LYS A 22 13.149 -19.682 3.844 1.00 72.12 H new ATOM 0 HE3 LYS A 22 11.576 -19.605 3.074 1.00 72.12 H new ATOM 0 HZ1 LYS A 22 11.373 -19.898 5.454 1.00 5.33 H new ATOM 0 HZ2 LYS A 22 10.756 -21.258 4.645 1.00 5.33 H new ATOM 0 HZ3 LYS A 22 12.280 -21.333 5.391 1.00 5.33 H new ATOM 351 N GLY A 23 12.716 -21.277 -2.529 1.00 32.25 N ATOM 352 CA GLY A 23 13.177 -22.233 -3.522 1.00 1.23 C ATOM 353 C GLY A 23 13.958 -21.533 -4.636 1.00 60.40 C ATOM 354 O GLY A 23 14.511 -22.189 -5.518 1.00 40.12 O ATOM 0 H GLY A 23 11.710 -21.107 -2.536 1.00 32.25 H new ATOM 0 HA2 GLY A 23 13.809 -22.982 -3.045 1.00 1.23 H new ATOM 0 HA3 GLY A 23 12.324 -22.761 -3.948 1.00 1.23 H new ATOM 358 N GLY A 24 13.977 -20.210 -4.560 1.00 42.54 N ATOM 359 CA GLY A 24 14.682 -19.415 -5.551 1.00 13.42 C ATOM 360 C GLY A 24 16.195 -19.615 -5.440 1.00 24.43 C ATOM 361 O GLY A 24 16.846 -19.001 -4.597 1.00 31.23 O ATOM 0 H GLY A 24 13.516 -19.669 -3.828 1.00 42.54 H new ATOM 0 HA2 GLY A 24 14.347 -19.693 -6.550 1.00 13.42 H new ATOM 0 HA3 GLY A 24 14.440 -18.361 -5.416 1.00 13.42 H new ATOM 365 N LYS A 25 16.710 -20.477 -6.305 1.00 43.10 N ATOM 366 CA LYS A 25 18.134 -20.766 -6.315 1.00 25.50 C ATOM 367 C LYS A 25 18.893 -19.551 -6.856 1.00 31.53 C ATOM 368 O LYS A 25 18.304 -18.682 -7.497 1.00 63.34 O ATOM 369 CB LYS A 25 18.414 -22.058 -7.086 1.00 45.42 C ATOM 370 CG LYS A 25 18.619 -21.774 -8.575 1.00 33.12 C ATOM 371 CD LYS A 25 17.329 -21.260 -9.219 1.00 51.15 C ATOM 372 CE LYS A 25 16.236 -22.329 -9.187 1.00 20.45 C ATOM 373 NZ LYS A 25 15.060 -21.893 -9.973 1.00 61.34 N1+ ATOM 0 H LYS A 25 16.167 -20.984 -7.003 1.00 43.10 H new ATOM 0 HA LYS A 25 18.493 -20.943 -5.301 1.00 25.50 H new ATOM 0 HB2 LYS A 25 19.301 -22.544 -6.679 1.00 45.42 H new ATOM 0 HB3 LYS A 25 17.583 -22.751 -6.955 1.00 45.42 H new ATOM 0 HG2 LYS A 25 19.412 -21.037 -8.702 1.00 33.12 H new ATOM 0 HG3 LYS A 25 18.945 -22.683 -9.081 1.00 33.12 H new ATOM 0 HD2 LYS A 25 16.986 -20.369 -8.693 1.00 51.15 H new ATOM 0 HD3 LYS A 25 17.525 -20.966 -10.250 1.00 51.15 H new ATOM 0 HE2 LYS A 25 16.623 -23.265 -9.590 1.00 20.45 H new ATOM 0 HE3 LYS A 25 15.940 -22.524 -8.156 1.00 20.45 H new ATOM 0 HZ1 LYS A 25 14.328 -22.631 -9.940 1.00 61.34 H new ATOM 0 HZ2 LYS A 25 14.681 -21.011 -9.571 1.00 61.34 H new ATOM 0 HZ3 LYS A 25 15.343 -21.730 -10.960 1.00 61.34 H new ATOM 386 N HIS A 26 20.188 -19.531 -6.577 1.00 35.31 N ATOM 387 CA HIS A 26 21.033 -18.438 -7.027 1.00 31.21 C ATOM 388 C HIS A 26 21.438 -18.668 -8.485 1.00 31.35 C ATOM 389 O HIS A 26 21.838 -19.771 -8.855 1.00 63.11 O ATOM 390 CB HIS A 26 22.236 -18.264 -6.098 1.00 60.42 C ATOM 391 CG HIS A 26 21.910 -18.431 -4.632 1.00 74.52 C ATOM 392 ND1 HIS A 26 21.835 -17.364 -3.755 1.00 53.11 N ATOM 393 CD2 HIS A 26 21.640 -19.550 -3.902 1.00 43.12 C ATOM 394 CE1 HIS A 26 21.533 -17.831 -2.553 1.00 4.22 C ATOM 395 NE2 HIS A 26 21.414 -19.187 -2.646 1.00 45.54 N ATOM 0 H HIS A 26 20.673 -20.254 -6.045 1.00 35.31 H new ATOM 0 HA HIS A 26 20.476 -17.502 -6.985 1.00 31.21 H new ATOM 0 HB2 HIS A 26 23.003 -18.988 -6.374 1.00 60.42 H new ATOM 0 HB3 HIS A 26 22.662 -17.273 -6.254 1.00 60.42 H new ATOM 0 HD2 HIS A 26 21.614 -20.561 -4.282 1.00 43.12 H new ATOM 0 HE1 HIS A 26 21.404 -17.242 -1.657 1.00 4.22 H new ATOM 0 HE2 HIS A 26 21.188 -19.818 -1.877 1.00 45.54 H new ATOM 403 N LYS A 27 21.319 -17.610 -9.273 1.00 43.43 N ATOM 404 CA LYS A 27 21.667 -17.683 -10.681 1.00 42.03 C ATOM 405 C LYS A 27 22.564 -16.497 -11.042 1.00 2.45 C ATOM 406 O LYS A 27 23.753 -16.496 -10.729 1.00 22.32 O ATOM 407 CB LYS A 27 20.405 -17.784 -11.540 1.00 4.12 C ATOM 408 CG LYS A 27 19.928 -19.235 -11.647 1.00 44.14 C ATOM 409 CD LYS A 27 19.066 -19.438 -12.894 1.00 74.23 C ATOM 410 CE LYS A 27 17.929 -18.415 -12.947 1.00 2.05 C ATOM 411 NZ LYS A 27 16.887 -18.745 -11.949 1.00 22.44 N1+ ATOM 0 H LYS A 27 20.986 -16.697 -8.963 1.00 43.43 H new ATOM 0 HA LYS A 27 22.238 -18.589 -10.886 1.00 42.03 H new ATOM 0 HB2 LYS A 27 19.616 -17.169 -11.107 1.00 4.12 H new ATOM 0 HB3 LYS A 27 20.606 -17.389 -12.536 1.00 4.12 H new ATOM 0 HG2 LYS A 27 20.789 -19.903 -11.683 1.00 44.14 H new ATOM 0 HG3 LYS A 27 19.356 -19.500 -10.758 1.00 44.14 H new ATOM 0 HD2 LYS A 27 19.684 -19.346 -13.787 1.00 74.23 H new ATOM 0 HD3 LYS A 27 18.653 -20.447 -12.895 1.00 74.23 H new ATOM 0 HE2 LYS A 27 18.321 -17.416 -12.755 1.00 2.05 H new ATOM 0 HE3 LYS A 27 17.492 -18.399 -13.946 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 16.123 -18.041 -11.999 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 16.501 -19.689 -12.150 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 17.304 -18.737 -10.996 1.00 22.44 H new ATOM 424 N THR A 28 21.958 -15.517 -11.698 1.00 45.00 N ATOM 425 CA THR A 28 22.688 -14.328 -12.104 1.00 61.12 C ATOM 426 C THR A 28 23.004 -13.454 -10.889 1.00 45.43 C ATOM 427 O THR A 28 24.099 -12.902 -10.786 1.00 2.21 O ATOM 428 CB THR A 28 21.861 -13.608 -13.172 1.00 35.30 C ATOM 429 OG1 THR A 28 21.395 -14.658 -14.016 1.00 61.25 O ATOM 430 CG2 THR A 28 22.721 -12.743 -14.095 1.00 51.31 C ATOM 0 H THR A 28 20.972 -15.522 -11.958 1.00 45.00 H new ATOM 0 HA THR A 28 23.654 -14.586 -12.538 1.00 61.12 H new ATOM 0 HB THR A 28 21.108 -12.985 -12.689 1.00 35.30 H new ATOM 0 HG1 THR A 28 20.848 -14.280 -14.736 1.00 61.25 H new ATOM 0 HG21 THR A 28 22.085 -12.255 -14.833 1.00 51.31 H new ATOM 0 HG22 THR A 28 23.239 -11.986 -13.506 1.00 51.31 H new ATOM 0 HG23 THR A 28 23.453 -13.370 -14.604 1.00 51.31 H new ATOM 438 N GLY A 29 22.026 -13.355 -10.002 1.00 10.45 N ATOM 439 CA GLY A 29 22.186 -12.557 -8.797 1.00 52.43 C ATOM 440 C GLY A 29 21.836 -13.371 -7.550 1.00 73.33 C ATOM 441 O GLY A 29 21.224 -14.433 -7.649 1.00 12.41 O ATOM 0 H GLY A 29 21.119 -13.814 -10.093 1.00 10.45 H new ATOM 0 HA2 GLY A 29 23.214 -12.201 -8.726 1.00 52.43 H new ATOM 0 HA3 GLY A 29 21.546 -11.676 -8.852 1.00 52.43 H new ATOM 445 N PRO A 30 22.252 -12.828 -6.374 1.00 64.11 N ATOM 446 CA PRO A 30 21.988 -13.492 -5.109 1.00 53.23 C ATOM 447 C PRO A 30 20.521 -13.336 -4.703 1.00 41.02 C ATOM 448 O PRO A 30 19.884 -12.337 -5.035 1.00 1.24 O ATOM 449 CB PRO A 30 22.948 -12.851 -4.121 1.00 21.01 C ATOM 450 CG PRO A 30 23.386 -11.540 -4.754 1.00 61.15 C ATOM 451 CD PRO A 30 22.980 -11.572 -6.219 1.00 30.43 C ATOM 0 HA PRO A 30 22.147 -14.569 -5.158 1.00 53.23 H new ATOM 0 HB2 PRO A 30 22.462 -12.678 -3.161 1.00 21.01 H new ATOM 0 HB3 PRO A 30 23.804 -13.499 -3.932 1.00 21.01 H new ATOM 0 HG2 PRO A 30 22.919 -10.696 -4.247 1.00 61.15 H new ATOM 0 HG3 PRO A 30 24.464 -11.412 -4.659 1.00 61.15 H new ATOM 0 HD2 PRO A 30 22.354 -10.717 -6.475 1.00 30.43 H new ATOM 0 HD3 PRO A 30 23.852 -11.536 -6.872 1.00 30.43 H new ATOM 459 N ASN A 31 20.028 -14.338 -3.990 1.00 42.21 N ATOM 460 CA ASN A 31 18.648 -14.325 -3.534 1.00 54.23 C ATOM 461 C ASN A 31 18.498 -13.301 -2.407 1.00 24.12 C ATOM 462 O ASN A 31 19.427 -13.087 -1.631 1.00 22.02 O ATOM 463 CB ASN A 31 18.235 -15.693 -2.989 1.00 1.42 C ATOM 464 CG ASN A 31 16.912 -15.602 -2.225 1.00 33.11 C ATOM 465 OD1 ASN A 31 16.837 -15.084 -1.124 1.00 34.33 O ATOM 466 ND2 ASN A 31 15.877 -16.134 -2.870 1.00 24.23 N ATOM 0 H ASN A 31 20.560 -15.165 -3.717 1.00 42.21 H new ATOM 0 HA ASN A 31 18.014 -14.070 -4.383 1.00 54.23 H new ATOM 0 HB2 ASN A 31 18.136 -16.401 -3.811 1.00 1.42 H new ATOM 0 HB3 ASN A 31 19.014 -16.076 -2.330 1.00 1.42 H new ATOM 0 HD21 ASN A 31 14.950 -16.124 -2.444 1.00 24.23 H new ATOM 0 HD22 ASN A 31 16.010 -16.552 -3.791 1.00 24.23 H new ATOM 473 N LEU A 32 17.319 -12.696 -2.354 1.00 74.54 N ATOM 474 CA LEU A 32 17.034 -11.701 -1.334 1.00 5.51 C ATOM 475 C LEU A 32 15.906 -12.206 -0.435 1.00 71.53 C ATOM 476 O LEU A 32 14.730 -12.021 -0.746 1.00 22.25 O ATOM 477 CB LEU A 32 16.748 -10.342 -1.978 1.00 14.14 C ATOM 478 CG LEU A 32 17.638 -9.959 -3.162 1.00 30.32 C ATOM 479 CD1 LEU A 32 17.141 -10.609 -4.454 1.00 72.11 C ATOM 480 CD2 LEU A 32 17.754 -8.439 -3.291 1.00 23.23 C ATOM 0 H LEU A 32 16.551 -12.876 -3.001 1.00 74.54 H new ATOM 0 HA LEU A 32 17.904 -11.549 -0.696 1.00 5.51 H new ATOM 0 HB2 LEU A 32 15.710 -10.332 -2.311 1.00 14.14 H new ATOM 0 HB3 LEU A 32 16.845 -9.572 -1.212 1.00 14.14 H new ATOM 0 HG LEU A 32 18.641 -10.343 -2.975 1.00 30.32 H new ATOM 0 HD11 LEU A 32 17.791 -10.320 -5.280 1.00 72.11 H new ATOM 0 HD12 LEU A 32 17.154 -11.693 -4.344 1.00 72.11 H new ATOM 0 HD13 LEU A 32 16.123 -10.277 -4.660 1.00 72.11 H new ATOM 0 HD21 LEU A 32 18.392 -8.194 -4.140 1.00 23.23 H new ATOM 0 HD22 LEU A 32 16.764 -8.010 -3.445 1.00 23.23 H new ATOM 0 HD23 LEU A 32 18.189 -8.029 -2.380 1.00 23.23 H new ATOM 492 N HIS A 33 16.302 -12.834 0.662 1.00 14.50 N ATOM 493 CA HIS A 33 15.337 -13.368 1.609 1.00 13.44 C ATOM 494 C HIS A 33 15.319 -12.499 2.867 1.00 62.54 C ATOM 495 O HIS A 33 14.252 -12.143 3.366 1.00 23.12 O ATOM 496 CB HIS A 33 15.628 -14.840 1.909 1.00 5.43 C ATOM 497 CG HIS A 33 14.703 -15.452 2.934 1.00 22.13 C ATOM 498 ND1 HIS A 33 15.039 -16.573 3.672 1.00 13.25 N ATOM 499 CD2 HIS A 33 13.452 -15.087 3.336 1.00 23.11 C ATOM 500 CE1 HIS A 33 14.028 -16.861 4.478 1.00 64.43 C ATOM 501 NE2 HIS A 33 13.046 -15.940 4.268 1.00 50.42 N ATOM 0 H HIS A 33 17.278 -12.985 0.917 1.00 14.50 H new ATOM 0 HA HIS A 33 14.338 -13.337 1.173 1.00 13.44 H new ATOM 0 HB2 HIS A 33 15.556 -15.410 0.983 1.00 5.43 H new ATOM 0 HB3 HIS A 33 16.656 -14.932 2.261 1.00 5.43 H new ATOM 0 HD2 HIS A 33 12.888 -14.247 2.960 1.00 23.11 H new ATOM 0 HE1 HIS A 33 13.989 -17.682 5.179 1.00 64.43 H new ATOM 0 HE2 HIS A 33 12.147 -15.911 4.748 1.00 50.42 H new ATOM 509 N GLY A 34 16.513 -12.182 3.347 1.00 75.21 N ATOM 510 CA GLY A 34 16.648 -11.361 4.538 1.00 51.24 C ATOM 511 C GLY A 34 17.010 -9.920 4.174 1.00 41.32 C ATOM 512 O GLY A 34 17.612 -9.205 4.974 1.00 23.54 O ATOM 0 H GLY A 34 17.396 -12.479 2.932 1.00 75.21 H new ATOM 0 HA2 GLY A 34 15.714 -11.374 5.100 1.00 51.24 H new ATOM 0 HA3 GLY A 34 17.417 -11.780 5.187 1.00 51.24 H new ATOM 516 N LEU A 35 16.629 -9.536 2.963 1.00 32.14 N ATOM 517 CA LEU A 35 16.906 -8.193 2.483 1.00 14.33 C ATOM 518 C LEU A 35 16.679 -7.193 3.617 1.00 14.32 C ATOM 519 O LEU A 35 17.608 -6.507 4.041 1.00 23.33 O ATOM 520 CB LEU A 35 16.085 -7.894 1.226 1.00 1.34 C ATOM 521 CG LEU A 35 16.475 -6.630 0.457 1.00 70.13 C ATOM 522 CD1 LEU A 35 17.815 -6.814 -0.257 1.00 23.22 C ATOM 523 CD2 LEU A 35 15.363 -6.213 -0.509 1.00 20.03 C ATOM 0 H LEU A 35 16.131 -10.132 2.301 1.00 32.14 H new ATOM 0 HA LEU A 35 17.950 -8.104 2.184 1.00 14.33 H new ATOM 0 HB2 LEU A 35 16.167 -8.746 0.551 1.00 1.34 H new ATOM 0 HB3 LEU A 35 15.036 -7.813 1.511 1.00 1.34 H new ATOM 0 HG LEU A 35 16.602 -5.819 1.174 1.00 70.13 H new ATOM 0 HD11 LEU A 35 18.069 -5.901 -0.796 1.00 23.22 H new ATOM 0 HD12 LEU A 35 18.592 -7.030 0.477 1.00 23.22 H new ATOM 0 HD13 LEU A 35 17.741 -7.642 -0.962 1.00 23.22 H new ATOM 0 HD21 LEU A 35 15.664 -5.312 -1.044 1.00 20.03 H new ATOM 0 HD22 LEU A 35 15.182 -7.016 -1.224 1.00 20.03 H new ATOM 0 HD23 LEU A 35 14.450 -6.014 0.052 1.00 20.03 H new ATOM 535 N PHE A 36 15.438 -7.141 4.079 1.00 5.35 N ATOM 536 CA PHE A 36 15.076 -6.235 5.156 1.00 22.24 C ATOM 537 C PHE A 36 15.494 -6.804 6.513 1.00 61.41 C ATOM 538 O PHE A 36 14.757 -7.581 7.119 1.00 2.04 O ATOM 539 CB PHE A 36 13.554 -6.089 5.125 1.00 52.13 C ATOM 540 CG PHE A 36 13.042 -5.138 4.040 1.00 23.51 C ATOM 541 CD1 PHE A 36 13.246 -5.432 2.728 1.00 33.42 C ATOM 542 CD2 PHE A 36 12.384 -4.000 4.388 1.00 23.43 C ATOM 543 CE1 PHE A 36 12.771 -4.550 1.721 1.00 1.43 C ATOM 544 CE2 PHE A 36 11.910 -3.118 3.382 1.00 12.33 C ATOM 545 CZ PHE A 36 12.113 -3.412 2.069 1.00 2.54 C ATOM 0 H PHE A 36 14.670 -7.712 3.727 1.00 5.35 H new ATOM 0 HA PHE A 36 15.579 -5.277 5.022 1.00 22.24 H new ATOM 0 HB2 PHE A 36 13.108 -7.072 4.972 1.00 52.13 H new ATOM 0 HB3 PHE A 36 13.214 -5.732 6.097 1.00 52.13 H new ATOM 0 HD1 PHE A 36 13.769 -6.336 2.452 1.00 33.42 H new ATOM 0 HD2 PHE A 36 12.222 -3.767 5.430 1.00 23.43 H new ATOM 0 HE1 PHE A 36 12.932 -4.783 0.679 1.00 1.43 H new ATOM 0 HE2 PHE A 36 11.388 -2.214 3.659 1.00 12.33 H new ATOM 0 HZ PHE A 36 11.752 -2.742 1.303 1.00 2.54 H new ATOM 555 N GLY A 37 16.676 -6.395 6.952 1.00 15.13 N ATOM 556 CA GLY A 37 17.201 -6.855 8.227 1.00 44.23 C ATOM 557 C GLY A 37 18.466 -7.694 8.028 1.00 13.23 C ATOM 558 O GLY A 37 18.739 -8.604 8.809 1.00 33.14 O ATOM 0 H GLY A 37 17.285 -5.750 6.448 1.00 15.13 H new ATOM 0 HA2 GLY A 37 17.425 -5.998 8.863 1.00 44.23 H new ATOM 0 HA3 GLY A 37 16.445 -7.447 8.744 1.00 44.23 H new ATOM 562 N ARG A 38 19.202 -7.358 6.980 1.00 71.12 N ATOM 563 CA ARG A 38 20.431 -8.069 6.669 1.00 72.15 C ATOM 564 C ARG A 38 21.471 -7.105 6.096 1.00 53.24 C ATOM 565 O ARG A 38 21.131 -6.006 5.660 1.00 74.14 O ATOM 566 CB ARG A 38 20.176 -9.194 5.662 1.00 13.11 C ATOM 567 CG ARG A 38 21.464 -9.963 5.365 1.00 61.12 C ATOM 568 CD ARG A 38 21.159 -11.304 4.694 1.00 23.15 C ATOM 569 NE ARG A 38 21.036 -11.122 3.230 1.00 44.20 N ATOM 570 CZ ARG A 38 20.666 -12.097 2.374 1.00 15.22 C ATOM 571 NH1 ARG A 38 20.379 -13.335 2.829 1.00 2.45 N ATOM 572 NH2 ARG A 38 20.590 -11.823 1.084 1.00 43.34 N1+ ATOM 0 H ARG A 38 18.971 -6.603 6.335 1.00 71.12 H new ATOM 0 HA ARG A 38 20.807 -8.504 7.595 1.00 72.15 H new ATOM 0 HB2 ARG A 38 19.423 -9.876 6.056 1.00 13.11 H new ATOM 0 HB3 ARG A 38 19.776 -8.777 4.738 1.00 13.11 H new ATOM 0 HG2 ARG A 38 22.107 -9.366 4.718 1.00 61.12 H new ATOM 0 HG3 ARG A 38 22.013 -10.132 6.291 1.00 61.12 H new ATOM 0 HD2 ARG A 38 21.952 -12.019 4.914 1.00 23.15 H new ATOM 0 HD3 ARG A 38 20.235 -11.719 5.096 1.00 23.15 H new ATOM 0 HE ARG A 38 21.244 -10.201 2.844 1.00 44.20 H new ATOM 0 HH11 ARG A 38 20.441 -13.539 3.826 1.00 2.45 H new ATOM 0 HH12 ARG A 38 20.100 -14.067 2.175 1.00 2.45 H new ATOM 0 HH21 ARG A 38 20.810 -10.885 0.748 1.00 43.34 H new ATOM 0 HH22 ARG A 38 20.312 -12.549 0.424 1.00 43.34 H new ATOM 585 N LYS A 39 22.719 -7.552 6.114 1.00 1.25 N ATOM 586 CA LYS A 39 23.811 -6.743 5.601 1.00 23.04 C ATOM 587 C LYS A 39 24.082 -7.126 4.144 1.00 30.04 C ATOM 588 O LYS A 39 23.395 -7.978 3.584 1.00 3.20 O ATOM 589 CB LYS A 39 25.038 -6.862 6.507 1.00 65.41 C ATOM 590 CG LYS A 39 25.001 -5.813 7.620 1.00 52.45 C ATOM 591 CD LYS A 39 23.846 -6.079 8.587 1.00 54.13 C ATOM 592 CE LYS A 39 24.148 -7.283 9.483 1.00 12.24 C ATOM 593 NZ LYS A 39 25.368 -7.039 10.284 1.00 2.13 N1+ ATOM 0 H LYS A 39 22.997 -8.464 6.476 1.00 1.25 H new ATOM 0 HA LYS A 39 23.540 -5.687 5.609 1.00 23.04 H new ATOM 0 HB2 LYS A 39 25.077 -7.860 6.944 1.00 65.41 H new ATOM 0 HB3 LYS A 39 25.945 -6.738 5.915 1.00 65.41 H new ATOM 0 HG2 LYS A 39 25.945 -5.822 8.165 1.00 52.45 H new ATOM 0 HG3 LYS A 39 24.894 -4.819 7.185 1.00 52.45 H new ATOM 0 HD2 LYS A 39 23.672 -5.197 9.203 1.00 54.13 H new ATOM 0 HD3 LYS A 39 22.930 -6.260 8.024 1.00 54.13 H new ATOM 0 HE2 LYS A 39 23.303 -7.472 10.145 1.00 12.24 H new ATOM 0 HE3 LYS A 39 24.280 -8.175 8.871 1.00 12.24 H new ATOM 0 HZ1 LYS A 39 25.195 -7.313 11.272 1.00 2.13 H new ATOM 0 HZ2 LYS A 39 26.153 -7.603 9.901 1.00 2.13 H new ATOM 0 HZ3 LYS A 39 25.615 -6.029 10.242 1.00 2.13 H new ATOM 606 N THR A 40 25.087 -6.477 3.573 1.00 35.13 N ATOM 607 CA THR A 40 25.459 -6.738 2.193 1.00 75.44 C ATOM 608 C THR A 40 26.509 -7.848 2.125 1.00 43.11 C ATOM 609 O THR A 40 27.400 -7.917 2.969 1.00 72.31 O ATOM 610 CB THR A 40 25.925 -5.420 1.571 1.00 74.21 C ATOM 611 OG1 THR A 40 26.658 -4.785 2.616 1.00 42.25 O ATOM 612 CG2 THR A 40 24.766 -4.462 1.292 1.00 52.34 C ATOM 0 H THR A 40 25.655 -5.771 4.041 1.00 35.13 H new ATOM 0 HA THR A 40 24.609 -7.103 1.616 1.00 75.44 H new ATOM 0 HB THR A 40 26.457 -5.624 0.642 1.00 74.21 H new ATOM 0 HG1 THR A 40 27.574 -5.134 2.632 1.00 42.25 H new ATOM 0 HG21 THR A 40 25.152 -3.543 0.851 1.00 52.34 H new ATOM 0 HG22 THR A 40 24.066 -4.930 0.600 1.00 52.34 H new ATOM 0 HG23 THR A 40 24.253 -4.229 2.225 1.00 52.34 H new ATOM 620 N GLY A 41 26.369 -8.690 1.111 1.00 61.55 N ATOM 621 CA GLY A 41 27.296 -9.794 0.921 1.00 62.50 C ATOM 622 C GLY A 41 27.209 -10.787 2.081 1.00 21.13 C ATOM 623 O GLY A 41 28.158 -10.934 2.850 1.00 23.11 O ATOM 0 H GLY A 41 25.628 -8.630 0.413 1.00 61.55 H new ATOM 0 HA2 GLY A 41 27.073 -10.304 -0.016 1.00 62.50 H new ATOM 0 HA3 GLY A 41 28.313 -9.410 0.841 1.00 62.50 H new ATOM 627 N GLN A 42 26.062 -11.445 2.170 1.00 20.11 N ATOM 628 CA GLN A 42 25.838 -12.421 3.223 1.00 50.44 C ATOM 629 C GLN A 42 25.654 -13.816 2.623 1.00 23.41 C ATOM 630 O GLN A 42 26.094 -14.807 3.204 1.00 22.22 O ATOM 631 CB GLN A 42 24.635 -12.032 4.086 1.00 22.15 C ATOM 632 CG GLN A 42 24.847 -10.665 4.739 1.00 43.33 C ATOM 633 CD GLN A 42 26.162 -10.629 5.520 1.00 74.22 C ATOM 634 OE1 GLN A 42 26.328 -11.285 6.536 1.00 53.24 O ATOM 635 NE2 GLN A 42 27.084 -9.829 4.992 1.00 55.35 N ATOM 0 H GLN A 42 25.278 -11.321 1.530 1.00 20.11 H new ATOM 0 HA GLN A 42 26.716 -12.437 3.869 1.00 50.44 H new ATOM 0 HB2 GLN A 42 23.735 -12.010 3.472 1.00 22.15 H new ATOM 0 HB3 GLN A 42 24.477 -12.786 4.857 1.00 22.15 H new ATOM 0 HG2 GLN A 42 24.853 -9.889 3.973 1.00 43.33 H new ATOM 0 HG3 GLN A 42 24.016 -10.445 5.409 1.00 43.33 H new ATOM 0 HE21 GLN A 42 26.879 -9.308 4.139 1.00 55.35 H new ATOM 0 HE22 GLN A 42 27.996 -9.736 5.440 1.00 55.35 H new ATOM 644 N ALA A 43 25.006 -13.849 1.469 1.00 70.23 N ATOM 645 CA ALA A 43 24.760 -15.106 0.784 1.00 30.12 C ATOM 646 C ALA A 43 25.993 -16.002 0.913 1.00 64.14 C ATOM 647 O ALA A 43 26.967 -15.834 0.181 1.00 13.20 O ATOM 648 CB ALA A 43 24.391 -14.828 -0.675 1.00 22.12 C ATOM 0 H ALA A 43 24.643 -13.025 0.990 1.00 70.23 H new ATOM 0 HA ALA A 43 23.921 -15.633 1.238 1.00 30.12 H new ATOM 0 HB1 ALA A 43 24.206 -15.771 -1.190 1.00 22.12 H new ATOM 0 HB2 ALA A 43 23.492 -14.212 -0.712 1.00 22.12 H new ATOM 0 HB3 ALA A 43 25.211 -14.302 -1.164 1.00 22.12 H new ATOM 654 N PRO A 44 25.909 -16.960 1.874 1.00 21.12 N ATOM 655 CA PRO A 44 27.005 -17.884 2.109 1.00 3.52 C ATOM 656 C PRO A 44 27.074 -18.945 1.009 1.00 70.11 C ATOM 657 O PRO A 44 27.945 -19.813 1.033 1.00 13.44 O ATOM 658 CB PRO A 44 26.738 -18.471 3.485 1.00 43.33 C ATOM 659 CG PRO A 44 25.268 -18.210 3.771 1.00 50.30 C ATOM 660 CD PRO A 44 24.771 -17.189 2.760 1.00 14.51 C ATOM 0 HA PRO A 44 27.979 -17.396 2.082 1.00 3.52 H new ATOM 0 HB2 PRO A 44 26.956 -19.539 3.503 1.00 43.33 H new ATOM 0 HB3 PRO A 44 27.372 -18.004 4.239 1.00 43.33 H new ATOM 0 HG2 PRO A 44 24.694 -19.134 3.694 1.00 50.30 H new ATOM 0 HG3 PRO A 44 25.137 -17.837 4.787 1.00 50.30 H new ATOM 0 HD2 PRO A 44 23.909 -17.565 2.209 1.00 14.51 H new ATOM 0 HD3 PRO A 44 24.458 -16.267 3.250 1.00 14.51 H new ATOM 668 N GLY A 45 26.144 -18.840 0.071 1.00 63.41 N ATOM 669 CA GLY A 45 26.089 -19.780 -1.036 1.00 62.30 C ATOM 670 C GLY A 45 26.569 -19.127 -2.334 1.00 51.31 C ATOM 671 O GLY A 45 26.701 -19.797 -3.357 1.00 1.41 O ATOM 0 H GLY A 45 25.423 -18.119 0.055 1.00 63.41 H new ATOM 0 HA2 GLY A 45 26.708 -20.649 -0.811 1.00 62.30 H new ATOM 0 HA3 GLY A 45 25.068 -20.140 -1.162 1.00 62.30 H new ATOM 675 N TYR A 46 26.817 -17.829 -2.249 1.00 31.42 N ATOM 676 CA TYR A 46 27.280 -17.078 -3.405 1.00 33.33 C ATOM 677 C TYR A 46 27.968 -15.781 -2.976 1.00 21.45 C ATOM 678 O TYR A 46 27.322 -14.877 -2.447 1.00 53.01 O ATOM 679 CB TYR A 46 26.027 -16.735 -4.213 1.00 11.41 C ATOM 680 CG TYR A 46 26.322 -16.127 -5.587 1.00 3.21 C ATOM 681 CD1 TYR A 46 27.215 -16.745 -6.439 1.00 70.24 C ATOM 682 CD2 TYR A 46 25.694 -14.960 -5.973 1.00 42.12 C ATOM 683 CE1 TYR A 46 27.491 -16.173 -7.730 1.00 41.12 C ATOM 684 CE2 TYR A 46 25.971 -14.388 -7.265 1.00 4.30 C ATOM 685 CZ TYR A 46 26.856 -15.022 -8.080 1.00 64.21 C ATOM 686 OH TYR A 46 27.117 -14.483 -9.300 1.00 73.20 O ATOM 0 H TYR A 46 26.706 -17.277 -1.398 1.00 31.42 H new ATOM 0 HA TYR A 46 28.001 -17.661 -3.979 1.00 33.33 H new ATOM 0 HB2 TYR A 46 25.434 -17.640 -4.347 1.00 11.41 H new ATOM 0 HB3 TYR A 46 25.417 -16.036 -3.640 1.00 11.41 H new ATOM 0 HD1 TYR A 46 27.707 -17.658 -6.137 1.00 70.24 H new ATOM 0 HD2 TYR A 46 24.995 -14.476 -5.306 1.00 42.12 H new ATOM 0 HE1 TYR A 46 28.187 -16.647 -8.406 1.00 41.12 H new ATOM 0 HE2 TYR A 46 25.487 -13.476 -7.580 1.00 4.30 H new ATOM 0 HH TYR A 46 26.592 -13.663 -9.415 1.00 73.20 H new ATOM 696 N SER A 47 29.268 -15.729 -3.220 1.00 61.13 N ATOM 697 CA SER A 47 30.051 -14.557 -2.866 1.00 50.02 C ATOM 698 C SER A 47 30.073 -13.570 -4.035 1.00 61.25 C ATOM 699 O SER A 47 30.186 -13.974 -5.191 1.00 74.42 O ATOM 700 CB SER A 47 31.477 -14.945 -2.472 1.00 64.01 C ATOM 701 OG SER A 47 32.022 -15.933 -3.343 1.00 62.20 O ATOM 0 H SER A 47 29.800 -16.480 -3.659 1.00 61.13 H new ATOM 0 HA SER A 47 29.583 -14.080 -2.005 1.00 50.02 H new ATOM 0 HB2 SER A 47 32.111 -14.059 -2.487 1.00 64.01 H new ATOM 0 HB3 SER A 47 31.481 -15.322 -1.449 1.00 64.01 H new ATOM 0 HG SER A 47 32.934 -16.152 -3.059 1.00 62.20 H new ATOM 707 N TYR A 48 29.962 -12.294 -3.693 1.00 23.43 N ATOM 708 CA TYR A 48 29.969 -11.246 -4.700 1.00 51.03 C ATOM 709 C TYR A 48 31.347 -10.591 -4.801 1.00 50.11 C ATOM 710 O TYR A 48 32.295 -11.026 -4.148 1.00 44.52 O ATOM 711 CB TYR A 48 28.955 -10.203 -4.228 1.00 20.35 C ATOM 712 CG TYR A 48 27.715 -10.798 -3.556 1.00 25.13 C ATOM 713 CD1 TYR A 48 27.308 -12.078 -3.873 1.00 3.33 C ATOM 714 CD2 TYR A 48 27.006 -10.055 -2.635 1.00 40.21 C ATOM 715 CE1 TYR A 48 26.141 -12.638 -3.241 1.00 31.53 C ATOM 716 CE2 TYR A 48 25.839 -10.615 -2.004 1.00 74.50 C ATOM 717 CZ TYR A 48 25.464 -11.880 -2.338 1.00 31.14 C ATOM 718 OH TYR A 48 24.362 -12.409 -1.741 1.00 23.04 O ATOM 0 H TYR A 48 29.867 -11.963 -2.733 1.00 23.43 H new ATOM 0 HA TYR A 48 29.724 -11.654 -5.681 1.00 51.03 H new ATOM 0 HB2 TYR A 48 29.445 -9.526 -3.528 1.00 20.35 H new ATOM 0 HB3 TYR A 48 28.640 -9.605 -5.083 1.00 20.35 H new ATOM 0 HD1 TYR A 48 27.864 -12.659 -4.594 1.00 3.33 H new ATOM 0 HD2 TYR A 48 27.326 -9.054 -2.387 1.00 40.21 H new ATOM 0 HE1 TYR A 48 25.811 -13.638 -3.479 1.00 31.53 H new ATOM 0 HE2 TYR A 48 25.274 -10.044 -1.282 1.00 74.50 H new ATOM 0 HH TYR A 48 23.981 -11.755 -1.119 1.00 23.04 H new ATOM 728 N THR A 49 31.416 -9.556 -5.625 1.00 5.20 N ATOM 729 CA THR A 49 32.664 -8.837 -5.820 1.00 43.03 C ATOM 730 C THR A 49 33.214 -8.350 -4.478 1.00 11.41 C ATOM 731 O THR A 49 32.580 -8.533 -3.440 1.00 40.24 O ATOM 732 CB THR A 49 32.405 -7.704 -6.818 1.00 0.23 C ATOM 733 OG1 THR A 49 31.171 -7.138 -6.386 1.00 65.43 O ATOM 734 CG2 THR A 49 32.108 -8.222 -8.226 1.00 63.33 C ATOM 0 H THR A 49 30.628 -9.198 -6.165 1.00 5.20 H new ATOM 0 HA THR A 49 33.435 -9.487 -6.235 1.00 43.03 H new ATOM 0 HB THR A 49 33.271 -7.043 -6.851 1.00 0.23 H new ATOM 0 HG1 THR A 49 30.469 -7.348 -7.037 1.00 65.43 H new ATOM 0 HG21 THR A 49 31.932 -7.379 -8.894 1.00 63.33 H new ATOM 0 HG22 THR A 49 32.958 -8.800 -8.588 1.00 63.33 H new ATOM 0 HG23 THR A 49 31.222 -8.856 -8.201 1.00 63.33 H new ATOM 742 N ALA A 50 34.389 -7.741 -4.543 1.00 63.11 N ATOM 743 CA ALA A 50 35.032 -7.227 -3.346 1.00 4.40 C ATOM 744 C ALA A 50 34.564 -5.792 -3.096 1.00 24.52 C ATOM 745 O ALA A 50 35.144 -5.080 -2.279 1.00 65.45 O ATOM 746 CB ALA A 50 36.551 -7.325 -3.500 1.00 22.44 C ATOM 0 H ALA A 50 34.912 -7.592 -5.406 1.00 63.11 H new ATOM 0 HA ALA A 50 34.753 -7.821 -2.476 1.00 4.40 H new ATOM 0 HB1 ALA A 50 37.033 -6.939 -2.602 1.00 22.44 H new ATOM 0 HB2 ALA A 50 36.835 -8.367 -3.646 1.00 22.44 H new ATOM 0 HB3 ALA A 50 36.868 -6.738 -4.362 1.00 22.44 H new ATOM 752 N ALA A 51 33.519 -5.411 -3.816 1.00 22.13 N ATOM 753 CA ALA A 51 32.966 -4.074 -3.682 1.00 24.51 C ATOM 754 C ALA A 51 31.777 -4.113 -2.720 1.00 32.14 C ATOM 755 O ALA A 51 31.660 -3.262 -1.839 1.00 53.32 O ATOM 756 CB ALA A 51 32.580 -3.542 -5.063 1.00 73.13 C ATOM 0 H ALA A 51 33.041 -6.005 -4.494 1.00 22.13 H new ATOM 0 HA ALA A 51 33.706 -3.392 -3.264 1.00 24.51 H new ATOM 0 HB1 ALA A 51 32.165 -2.539 -4.964 1.00 73.13 H new ATOM 0 HB2 ALA A 51 33.464 -3.507 -5.700 1.00 73.13 H new ATOM 0 HB3 ALA A 51 31.835 -4.200 -5.511 1.00 73.13 H new ATOM 762 N ASN A 52 30.926 -5.108 -2.919 1.00 72.12 N ATOM 763 CA ASN A 52 29.751 -5.269 -2.079 1.00 72.03 C ATOM 764 C ASN A 52 30.139 -6.024 -0.807 1.00 44.33 C ATOM 765 O ASN A 52 29.774 -5.619 0.295 1.00 21.23 O ATOM 766 CB ASN A 52 28.667 -6.075 -2.798 1.00 71.24 C ATOM 767 CG ASN A 52 27.343 -6.014 -2.035 1.00 1.21 C ATOM 768 OD1 ASN A 52 26.530 -5.123 -2.220 1.00 10.34 O ATOM 769 ND2 ASN A 52 27.171 -7.008 -1.168 1.00 51.41 N ATOM 0 H ASN A 52 31.027 -5.812 -3.650 1.00 72.12 H new ATOM 0 HA ASN A 52 29.365 -4.277 -1.843 1.00 72.03 H new ATOM 0 HB2 ASN A 52 28.528 -5.686 -3.807 1.00 71.24 H new ATOM 0 HB3 ASN A 52 28.986 -7.112 -2.898 1.00 71.24 H new ATOM 0 HD21 ASN A 52 26.319 -7.056 -0.610 1.00 51.41 H new ATOM 0 HD22 ASN A 52 27.891 -7.722 -1.062 1.00 51.41 H new ATOM 776 N LYS A 53 30.872 -7.110 -1.002 1.00 31.33 N ATOM 777 CA LYS A 53 31.313 -7.927 0.116 1.00 23.25 C ATOM 778 C LYS A 53 31.877 -7.021 1.213 1.00 40.10 C ATOM 779 O LYS A 53 31.714 -7.300 2.399 1.00 44.44 O ATOM 780 CB LYS A 53 32.292 -9.003 -0.359 1.00 41.40 C ATOM 781 CG LYS A 53 32.283 -10.207 0.584 1.00 75.03 C ATOM 782 CD LYS A 53 33.630 -10.932 0.559 1.00 74.12 C ATOM 783 CE LYS A 53 33.480 -12.383 1.020 1.00 55.52 C ATOM 784 NZ LYS A 53 32.512 -12.475 2.137 1.00 13.54 N1+ ATOM 0 H LYS A 53 31.172 -7.444 -1.918 1.00 31.33 H new ATOM 0 HA LYS A 53 30.471 -8.466 0.550 1.00 23.25 H new ATOM 0 HB2 LYS A 53 32.025 -9.323 -1.366 1.00 41.40 H new ATOM 0 HB3 LYS A 53 33.298 -8.586 -0.413 1.00 41.40 H new ATOM 0 HG2 LYS A 53 32.062 -9.877 1.599 1.00 75.03 H new ATOM 0 HG3 LYS A 53 31.490 -10.896 0.293 1.00 75.03 H new ATOM 0 HD2 LYS A 53 34.041 -10.908 -0.450 1.00 74.12 H new ATOM 0 HD3 LYS A 53 34.339 -10.413 1.205 1.00 74.12 H new ATOM 0 HE2 LYS A 53 33.144 -13.002 0.188 1.00 55.52 H new ATOM 0 HE3 LYS A 53 34.448 -12.772 1.337 1.00 55.52 H new ATOM 0 HZ1 LYS A 53 32.685 -13.348 2.676 1.00 13.54 H new ATOM 0 HZ2 LYS A 53 32.626 -11.653 2.764 1.00 13.54 H new ATOM 0 HZ3 LYS A 53 31.544 -12.489 1.757 1.00 13.54 H new ATOM 797 N ASN A 54 32.530 -5.954 0.775 1.00 32.11 N ATOM 798 CA ASN A 54 33.119 -5.005 1.704 1.00 62.53 C ATOM 799 C ASN A 54 32.014 -4.138 2.311 1.00 21.52 C ATOM 800 O ASN A 54 32.047 -3.826 3.501 1.00 54.24 O ATOM 801 CB ASN A 54 34.109 -4.080 0.993 1.00 4.13 C ATOM 802 CG ASN A 54 35.199 -3.600 1.954 1.00 23.22 C ATOM 803 OD1 ASN A 54 34.945 -2.909 2.926 1.00 64.31 O ATOM 804 ND2 ASN A 54 36.422 -4.006 1.627 1.00 31.23 N ATOM 0 H ASN A 54 32.664 -5.726 -0.210 1.00 32.11 H new ATOM 0 HA ASN A 54 33.643 -5.570 2.475 1.00 62.53 H new ATOM 0 HB2 ASN A 54 34.565 -4.606 0.154 1.00 4.13 H new ATOM 0 HB3 ASN A 54 33.579 -3.221 0.581 1.00 4.13 H new ATOM 0 HD21 ASN A 54 37.219 -3.740 2.205 1.00 31.23 H new ATOM 0 HD22 ASN A 54 36.563 -4.584 0.798 1.00 31.23 H new ATOM 811 N LYS A 55 31.061 -3.773 1.467 1.00 3.10 N ATOM 812 CA LYS A 55 29.948 -2.948 1.905 1.00 52.01 C ATOM 813 C LYS A 55 29.403 -3.494 3.227 1.00 71.13 C ATOM 814 O LYS A 55 29.312 -4.707 3.410 1.00 34.34 O ATOM 815 CB LYS A 55 28.893 -2.842 0.801 1.00 61.43 C ATOM 816 CG LYS A 55 28.035 -1.588 0.982 1.00 35.11 C ATOM 817 CD LYS A 55 28.893 -0.323 0.912 1.00 31.33 C ATOM 818 CE LYS A 55 28.087 0.857 0.364 1.00 31.13 C ATOM 819 NZ LYS A 55 28.975 1.809 -0.339 1.00 40.52 N1+ ATOM 0 H LYS A 55 31.036 -4.034 0.481 1.00 3.10 H new ATOM 0 HA LYS A 55 30.281 -1.928 2.095 1.00 52.01 H new ATOM 0 HB2 LYS A 55 29.382 -2.815 -0.173 1.00 61.43 H new ATOM 0 HB3 LYS A 55 28.257 -3.727 0.814 1.00 61.43 H new ATOM 0 HG2 LYS A 55 27.267 -1.554 0.210 1.00 35.11 H new ATOM 0 HG3 LYS A 55 27.520 -1.630 1.942 1.00 35.11 H new ATOM 0 HD2 LYS A 55 29.271 -0.080 1.905 1.00 31.33 H new ATOM 0 HD3 LYS A 55 29.760 -0.502 0.276 1.00 31.33 H new ATOM 0 HE2 LYS A 55 27.319 0.494 -0.319 1.00 31.13 H new ATOM 0 HE3 LYS A 55 27.573 1.365 1.180 1.00 31.13 H new ATOM 0 HZ1 LYS A 55 28.908 2.744 0.112 1.00 40.52 H new ATOM 0 HZ2 LYS A 55 29.957 1.470 -0.289 1.00 40.52 H new ATOM 0 HZ3 LYS A 55 28.685 1.884 -1.335 1.00 40.52 H new ATOM 832 N GLY A 56 29.057 -2.573 4.112 1.00 14.34 N ATOM 833 CA GLY A 56 28.523 -2.947 5.412 1.00 1.53 C ATOM 834 C GLY A 56 27.369 -2.028 5.816 1.00 71.44 C ATOM 835 O GLY A 56 27.542 -1.134 6.644 1.00 74.10 O ATOM 0 H GLY A 56 29.135 -1.568 3.956 1.00 14.34 H new ATOM 0 HA2 GLY A 56 28.177 -3.980 5.383 1.00 1.53 H new ATOM 0 HA3 GLY A 56 29.313 -2.896 6.162 1.00 1.53 H new ATOM 839 N ILE A 57 26.217 -2.279 5.213 1.00 74.01 N ATOM 840 CA ILE A 57 25.034 -1.485 5.499 1.00 43.32 C ATOM 841 C ILE A 57 23.800 -2.390 5.480 1.00 62.24 C ATOM 842 O ILE A 57 23.776 -3.397 4.772 1.00 3.42 O ATOM 843 CB ILE A 57 24.939 -0.297 4.539 1.00 40.53 C ATOM 844 CG1 ILE A 57 24.841 -0.772 3.088 1.00 32.54 C ATOM 845 CG2 ILE A 57 26.106 0.670 4.748 1.00 3.00 C ATOM 846 CD1 ILE A 57 23.428 -1.265 2.767 1.00 32.33 C ATOM 0 H ILE A 57 26.077 -3.021 4.527 1.00 74.01 H new ATOM 0 HA ILE A 57 25.099 -1.053 6.498 1.00 43.32 H new ATOM 0 HB ILE A 57 24.023 0.250 4.761 1.00 40.53 H new ATOM 0 HG12 ILE A 57 25.107 0.044 2.416 1.00 32.54 H new ATOM 0 HG13 ILE A 57 25.558 -1.574 2.915 1.00 32.54 H new ATOM 0 HG21 ILE A 57 26.015 1.505 4.054 1.00 3.00 H new ATOM 0 HG22 ILE A 57 26.089 1.045 5.771 1.00 3.00 H new ATOM 0 HG23 ILE A 57 27.047 0.149 4.568 1.00 3.00 H new ATOM 0 HD11 ILE A 57 23.385 -1.597 1.730 1.00 32.33 H new ATOM 0 HD12 ILE A 57 23.175 -2.096 3.425 1.00 32.33 H new ATOM 0 HD13 ILE A 57 22.716 -0.453 2.918 1.00 32.33 H new ATOM 858 N ILE A 58 22.807 -2.000 6.265 1.00 34.44 N ATOM 859 CA ILE A 58 21.574 -2.765 6.348 1.00 71.13 C ATOM 860 C ILE A 58 20.642 -2.344 5.209 1.00 61.15 C ATOM 861 O ILE A 58 20.430 -1.154 4.983 1.00 1.32 O ATOM 862 CB ILE A 58 20.949 -2.626 7.737 1.00 10.41 C ATOM 863 CG1 ILE A 58 21.669 -3.515 8.754 1.00 53.34 C ATOM 864 CG2 ILE A 58 19.445 -2.907 7.693 1.00 13.54 C ATOM 865 CD1 ILE A 58 21.071 -4.922 8.771 1.00 42.52 C ATOM 0 H ILE A 58 22.831 -1.164 6.849 1.00 34.44 H new ATOM 0 HA ILE A 58 21.776 -3.829 6.220 1.00 71.13 H new ATOM 0 HB ILE A 58 21.074 -1.594 8.066 1.00 10.41 H new ATOM 0 HG12 ILE A 58 22.730 -3.570 8.508 1.00 53.34 H new ATOM 0 HG13 ILE A 58 21.594 -3.072 9.747 1.00 53.34 H new ATOM 0 HG21 ILE A 58 19.026 -2.801 8.694 1.00 13.54 H new ATOM 0 HG22 ILE A 58 18.962 -2.198 7.020 1.00 13.54 H new ATOM 0 HG23 ILE A 58 19.275 -3.922 7.334 1.00 13.54 H new ATOM 0 HD11 ILE A 58 21.600 -5.534 9.502 1.00 42.52 H new ATOM 0 HD12 ILE A 58 20.016 -4.866 9.041 1.00 42.52 H new ATOM 0 HD13 ILE A 58 21.169 -5.371 7.783 1.00 42.52 H new ATOM 877 N TRP A 59 20.111 -3.346 4.522 1.00 12.43 N ATOM 878 CA TRP A 59 19.206 -3.094 3.413 1.00 31.13 C ATOM 879 C TRP A 59 17.841 -2.720 3.992 1.00 62.44 C ATOM 880 O TRP A 59 17.506 -3.115 5.108 1.00 4.32 O ATOM 881 CB TRP A 59 19.146 -4.299 2.472 1.00 3.14 C ATOM 882 CG TRP A 59 20.315 -4.378 1.487 1.00 60.14 C ATOM 883 CD1 TRP A 59 21.160 -5.398 1.290 1.00 33.12 C ATOM 884 CD2 TRP A 59 20.735 -3.348 0.567 1.00 22.32 C ATOM 885 NE1 TRP A 59 22.091 -5.103 0.314 1.00 43.14 N ATOM 886 CE2 TRP A 59 21.824 -3.817 -0.139 1.00 22.33 C ATOM 887 CE3 TRP A 59 20.212 -2.063 0.339 1.00 1.23 C ATOM 888 CZ2 TRP A 59 22.483 -3.066 -1.120 1.00 75.24 C ATOM 889 CZ3 TRP A 59 20.882 -1.325 -0.644 1.00 14.52 C ATOM 890 CH2 TRP A 59 21.979 -1.782 -1.364 1.00 62.15 C ATOM 0 H TRP A 59 20.290 -4.332 4.712 1.00 12.43 H new ATOM 0 HA TRP A 59 19.564 -2.265 2.803 1.00 31.13 H new ATOM 0 HB2 TRP A 59 19.124 -5.212 3.068 1.00 3.14 H new ATOM 0 HB3 TRP A 59 18.213 -4.262 1.910 1.00 3.14 H new ATOM 0 HD1 TRP A 59 21.118 -6.334 1.827 1.00 33.12 H new ATOM 0 HE1 TRP A 59 22.837 -5.716 -0.014 1.00 43.14 H new ATOM 0 HE3 TRP A 59 19.361 -1.676 0.879 1.00 1.23 H new ATOM 0 HZ2 TRP A 59 23.334 -3.456 -1.659 1.00 75.24 H new ATOM 0 HZ3 TRP A 59 20.521 -0.330 -0.858 1.00 14.52 H new ATOM 0 HH2 TRP A 59 22.441 -1.150 -2.108 1.00 62.15 H new ATOM 901 N GLY A 60 17.088 -1.963 3.208 1.00 60.12 N ATOM 902 CA GLY A 60 15.766 -1.530 3.628 1.00 61.54 C ATOM 903 C GLY A 60 15.040 -0.803 2.493 1.00 2.44 C ATOM 904 O GLY A 60 15.250 -1.109 1.321 1.00 64.10 O ATOM 0 H GLY A 60 17.369 -1.638 2.283 1.00 60.12 H new ATOM 0 HA2 GLY A 60 15.180 -2.393 3.945 1.00 61.54 H new ATOM 0 HA3 GLY A 60 15.853 -0.870 4.491 1.00 61.54 H new ATOM 908 N GLU A 61 14.200 0.145 2.883 1.00 1.02 N ATOM 909 CA GLU A 61 13.443 0.917 1.914 1.00 43.51 C ATOM 910 C GLU A 61 14.252 2.131 1.453 1.00 54.24 C ATOM 911 O GLU A 61 14.516 2.289 0.261 1.00 64.13 O ATOM 912 CB GLU A 61 12.092 1.345 2.489 1.00 4.31 C ATOM 913 CG GLU A 61 11.333 0.145 3.060 1.00 42.02 C ATOM 914 CD GLU A 61 9.892 0.522 3.409 1.00 40.13 C ATOM 915 OE1 GLU A 61 9.652 1.161 4.444 1.00 42.11 O ATOM 916 OE2 GLU A 61 9.005 0.127 2.560 1.00 53.22 O1- ATOM 0 H GLU A 61 14.028 0.395 3.857 1.00 1.02 H new ATOM 0 HA GLU A 61 13.248 0.285 1.048 1.00 43.51 H new ATOM 0 HB2 GLU A 61 12.245 2.089 3.271 1.00 4.31 H new ATOM 0 HB3 GLU A 61 11.495 1.820 1.710 1.00 4.31 H new ATOM 0 HG2 GLU A 61 11.334 -0.669 2.335 1.00 42.02 H new ATOM 0 HG3 GLU A 61 11.843 -0.221 3.951 1.00 42.02 H new ATOM 924 N ASP A 62 14.622 2.957 2.420 1.00 41.03 N ATOM 925 CA ASP A 62 15.395 4.153 2.127 1.00 11.04 C ATOM 926 C ASP A 62 16.706 3.753 1.446 1.00 64.11 C ATOM 927 O ASP A 62 17.101 4.358 0.451 1.00 4.51 O ATOM 928 CB ASP A 62 15.741 4.911 3.410 1.00 52.14 C ATOM 929 CG ASP A 62 16.938 4.358 4.185 1.00 62.42 C ATOM 930 OD1 ASP A 62 18.044 4.918 4.138 1.00 35.04 O ATOM 931 OD2 ASP A 62 16.699 3.291 4.870 1.00 62.51 O1- ATOM 0 H ASP A 62 14.401 2.822 3.407 1.00 41.03 H new ATOM 0 HA ASP A 62 14.796 4.793 1.480 1.00 11.04 H new ATOM 0 HB2 ASP A 62 15.941 5.952 3.156 1.00 52.14 H new ATOM 0 HB3 ASP A 62 14.869 4.904 4.064 1.00 52.14 H new ATOM 937 N THR A 63 17.342 2.737 2.010 1.00 73.22 N ATOM 938 CA THR A 63 18.600 2.250 1.469 1.00 3.24 C ATOM 939 C THR A 63 18.410 1.764 0.030 1.00 11.02 C ATOM 940 O THR A 63 19.344 1.799 -0.768 1.00 1.20 O ATOM 941 CB THR A 63 19.130 1.165 2.410 1.00 40.22 C ATOM 942 OG1 THR A 63 17.993 0.350 2.676 1.00 4.21 O ATOM 943 CG2 THR A 63 19.521 1.720 3.781 1.00 44.33 C ATOM 0 H THR A 63 17.010 2.238 2.835 1.00 73.22 H new ATOM 0 HA THR A 63 19.342 3.047 1.415 1.00 3.24 H new ATOM 0 HB THR A 63 19.994 0.680 1.955 1.00 40.22 H new ATOM 0 HG1 THR A 63 17.713 0.473 3.607 1.00 4.21 H new ATOM 0 HG21 THR A 63 19.890 0.910 4.410 1.00 44.33 H new ATOM 0 HG22 THR A 63 20.302 2.471 3.660 1.00 44.33 H new ATOM 0 HG23 THR A 63 18.650 2.176 4.251 1.00 44.33 H new ATOM 951 N LEU A 64 17.193 1.325 -0.257 1.00 10.45 N ATOM 952 CA LEU A 64 16.868 0.835 -1.585 1.00 43.40 C ATOM 953 C LEU A 64 16.301 1.982 -2.423 1.00 72.41 C ATOM 954 O LEU A 64 16.286 1.910 -3.651 1.00 42.34 O ATOM 955 CB LEU A 64 15.941 -0.379 -1.497 1.00 75.52 C ATOM 956 CG LEU A 64 16.583 -1.680 -1.012 1.00 12.32 C ATOM 957 CD1 LEU A 64 15.526 -2.761 -0.783 1.00 31.02 C ATOM 958 CD2 LEU A 64 17.678 -2.142 -1.974 1.00 20.25 C ATOM 0 H LEU A 64 16.420 1.299 0.408 1.00 10.45 H new ATOM 0 HA LEU A 64 17.767 0.484 -2.091 1.00 43.40 H new ATOM 0 HB2 LEU A 64 15.116 -0.133 -0.829 1.00 75.52 H new ATOM 0 HB3 LEU A 64 15.511 -0.555 -2.483 1.00 75.52 H new ATOM 0 HG LEU A 64 17.060 -1.489 -0.051 1.00 12.32 H new ATOM 0 HD11 LEU A 64 16.009 -3.675 -0.439 1.00 31.02 H new ATOM 0 HD12 LEU A 64 14.815 -2.421 -0.030 1.00 31.02 H new ATOM 0 HD13 LEU A 64 14.999 -2.959 -1.717 1.00 31.02 H new ATOM 0 HD21 LEU A 64 18.118 -3.069 -1.606 1.00 20.25 H new ATOM 0 HD22 LEU A 64 17.247 -2.311 -2.961 1.00 20.25 H new ATOM 0 HD23 LEU A 64 18.450 -1.375 -2.042 1.00 20.25 H new ATOM 970 N MET A 65 15.850 3.015 -1.727 1.00 14.04 N ATOM 971 CA MET A 65 15.283 4.175 -2.391 1.00 64.51 C ATOM 972 C MET A 65 16.359 4.947 -3.159 1.00 44.11 C ATOM 973 O MET A 65 16.103 5.454 -4.251 1.00 35.15 O ATOM 974 CB MET A 65 14.640 5.096 -1.352 1.00 75.32 C ATOM 975 CG MET A 65 13.462 5.865 -1.954 1.00 12.54 C ATOM 976 SD MET A 65 11.960 4.916 -1.779 1.00 72.52 S ATOM 977 CE MET A 65 11.811 4.265 -3.434 1.00 71.41 C ATOM 0 H MET A 65 15.866 3.072 -0.709 1.00 14.04 H new ATOM 0 HA MET A 65 14.530 3.831 -3.101 1.00 64.51 H new ATOM 0 HB2 MET A 65 14.297 4.507 -0.501 1.00 75.32 H new ATOM 0 HB3 MET A 65 15.383 5.799 -0.975 1.00 75.32 H new ATOM 0 HG2 MET A 65 13.353 6.828 -1.456 1.00 12.54 H new ATOM 0 HG3 MET A 65 13.651 6.070 -3.008 1.00 12.54 H new ATOM 0 HE1 MET A 65 10.841 4.541 -3.848 1.00 71.41 H new ATOM 0 HE2 MET A 65 12.603 4.677 -4.060 1.00 71.41 H new ATOM 0 HE3 MET A 65 11.898 3.179 -3.407 1.00 71.41 H new ATOM 987 N GLU A 66 17.538 5.010 -2.559 1.00 20.23 N ATOM 988 CA GLU A 66 18.653 5.711 -3.174 1.00 4.35 C ATOM 989 C GLU A 66 19.378 4.792 -4.161 1.00 12.41 C ATOM 990 O GLU A 66 19.809 5.236 -5.224 1.00 31.41 O ATOM 991 CB GLU A 66 19.618 6.245 -2.113 1.00 2.12 C ATOM 992 CG GLU A 66 20.903 6.770 -2.755 1.00 74.21 C ATOM 993 CD GLU A 66 21.775 7.490 -1.724 1.00 11.01 C ATOM 994 OE1 GLU A 66 22.139 6.898 -0.698 1.00 62.03 O ATOM 995 OE2 GLU A 66 22.076 8.709 -2.022 1.00 61.41 O1- ATOM 0 H GLU A 66 17.746 4.588 -1.654 1.00 20.23 H new ATOM 0 HA GLU A 66 18.260 6.566 -3.724 1.00 4.35 H new ATOM 0 HB2 GLU A 66 19.137 7.043 -1.548 1.00 2.12 H new ATOM 0 HB3 GLU A 66 19.859 5.453 -1.404 1.00 2.12 H new ATOM 0 HG2 GLU A 66 21.460 5.942 -3.193 1.00 74.21 H new ATOM 0 HG3 GLU A 66 20.655 7.453 -3.568 1.00 74.21 H new ATOM 1003 N TYR A 67 19.490 3.530 -3.773 1.00 2.54 N ATOM 1004 CA TYR A 67 20.155 2.546 -4.610 1.00 70.14 C ATOM 1005 C TYR A 67 19.453 2.413 -5.963 1.00 15.44 C ATOM 1006 O TYR A 67 20.103 2.416 -7.006 1.00 20.34 O ATOM 1007 CB TYR A 67 20.050 1.216 -3.861 1.00 71.01 C ATOM 1008 CG TYR A 67 20.959 0.117 -4.414 1.00 33.43 C ATOM 1009 CD1 TYR A 67 22.261 0.411 -4.765 1.00 25.24 C ATOM 1010 CD2 TYR A 67 20.477 -1.168 -4.563 1.00 73.53 C ATOM 1011 CE1 TYR A 67 23.117 -0.623 -5.286 1.00 12.44 C ATOM 1012 CE2 TYR A 67 21.333 -2.202 -5.084 1.00 50.13 C ATOM 1013 CZ TYR A 67 22.611 -1.879 -5.420 1.00 70.00 C ATOM 1014 OH TYR A 67 23.419 -2.855 -5.912 1.00 1.15 O ATOM 0 H TYR A 67 19.131 3.166 -2.890 1.00 2.54 H new ATOM 0 HA TYR A 67 21.188 2.838 -4.800 1.00 70.14 H new ATOM 0 HB2 TYR A 67 20.294 1.381 -2.812 1.00 71.01 H new ATOM 0 HB3 TYR A 67 19.017 0.871 -3.897 1.00 71.01 H new ATOM 0 HD1 TYR A 67 22.638 1.416 -4.649 1.00 25.24 H new ATOM 0 HD2 TYR A 67 19.458 -1.398 -4.289 1.00 73.53 H new ATOM 0 HE1 TYR A 67 24.138 -0.406 -5.564 1.00 12.44 H new ATOM 0 HE2 TYR A 67 20.969 -3.211 -5.205 1.00 50.13 H new ATOM 0 HH TYR A 67 23.155 -3.720 -5.533 1.00 1.15 H new ATOM 1024 N LEU A 68 18.134 2.300 -5.900 1.00 3.24 N ATOM 1025 CA LEU A 68 17.336 2.166 -7.108 1.00 35.25 C ATOM 1026 C LEU A 68 17.615 3.352 -8.032 1.00 53.11 C ATOM 1027 O LEU A 68 17.736 3.185 -9.244 1.00 15.43 O ATOM 1028 CB LEU A 68 15.857 1.993 -6.756 1.00 63.11 C ATOM 1029 CG LEU A 68 15.382 0.554 -6.545 1.00 65.23 C ATOM 1030 CD1 LEU A 68 13.953 0.523 -6.000 1.00 12.31 C ATOM 1031 CD2 LEU A 68 15.523 -0.265 -7.830 1.00 71.44 C ATOM 0 H LEU A 68 17.598 2.298 -5.032 1.00 3.24 H new ATOM 0 HA LEU A 68 17.617 1.265 -7.653 1.00 35.25 H new ATOM 0 HB2 LEU A 68 15.651 2.559 -5.848 1.00 63.11 H new ATOM 0 HB3 LEU A 68 15.260 2.439 -7.552 1.00 63.11 H new ATOM 0 HG LEU A 68 16.023 0.090 -5.796 1.00 65.23 H new ATOM 0 HD11 LEU A 68 13.640 -0.511 -5.859 1.00 12.31 H new ATOM 0 HD12 LEU A 68 13.917 1.047 -5.045 1.00 12.31 H new ATOM 0 HD13 LEU A 68 13.283 1.012 -6.707 1.00 12.31 H new ATOM 0 HD21 LEU A 68 15.178 -1.284 -7.652 1.00 71.44 H new ATOM 0 HD22 LEU A 68 14.922 0.189 -8.618 1.00 71.44 H new ATOM 0 HD23 LEU A 68 16.569 -0.284 -8.136 1.00 71.44 H new ATOM 1043 N GLU A 69 17.707 4.526 -7.424 1.00 15.25 N ATOM 1044 CA GLU A 69 17.968 5.741 -8.176 1.00 72.12 C ATOM 1045 C GLU A 69 19.295 5.625 -8.929 1.00 22.31 C ATOM 1046 O GLU A 69 19.389 6.010 -10.094 1.00 70.33 O ATOM 1047 CB GLU A 69 17.964 6.966 -7.260 1.00 51.12 C ATOM 1048 CG GLU A 69 18.209 8.248 -8.058 1.00 33.34 C ATOM 1049 CD GLU A 69 16.998 8.594 -8.926 1.00 54.43 C ATOM 1050 OE1 GLU A 69 15.932 8.941 -8.396 1.00 2.44 O ATOM 1051 OE2 GLU A 69 17.193 8.494 -10.198 1.00 3.24 O1- ATOM 0 H GLU A 69 17.605 4.661 -6.418 1.00 15.25 H new ATOM 0 HA GLU A 69 17.168 5.871 -8.905 1.00 72.12 H new ATOM 0 HB2 GLU A 69 17.008 7.033 -6.741 1.00 51.12 H new ATOM 0 HB3 GLU A 69 18.734 6.856 -6.496 1.00 51.12 H new ATOM 0 HG2 GLU A 69 18.418 9.071 -7.375 1.00 33.34 H new ATOM 0 HG3 GLU A 69 19.090 8.125 -8.689 1.00 33.34 H new ATOM 1059 N ASN A 70 20.288 5.091 -8.232 1.00 1.34 N ATOM 1060 CA ASN A 70 21.606 4.918 -8.820 1.00 62.35 C ATOM 1061 C ASN A 70 22.414 3.936 -7.970 1.00 55.43 C ATOM 1062 O ASN A 70 23.131 4.343 -7.057 1.00 45.53 O ATOM 1063 CB ASN A 70 22.368 6.245 -8.862 1.00 44.13 C ATOM 1064 CG ASN A 70 23.449 6.222 -9.945 1.00 34.34 C ATOM 1065 OD1 ASN A 70 24.318 5.366 -9.972 1.00 35.54 O ATOM 1066 ND2 ASN A 70 23.347 7.208 -10.832 1.00 0.54 N ATOM 0 H ASN A 70 20.206 4.773 -7.266 1.00 1.34 H new ATOM 0 HA ASN A 70 21.476 4.544 -9.835 1.00 62.35 H new ATOM 0 HB2 ASN A 70 21.673 7.062 -9.054 1.00 44.13 H new ATOM 0 HB3 ASN A 70 22.825 6.437 -7.891 1.00 44.13 H new ATOM 0 HD21 ASN A 70 24.021 7.281 -11.594 1.00 0.54 H new ATOM 0 HD22 ASN A 70 22.594 7.892 -10.750 1.00 0.54 H new ATOM 1073 N PRO A 71 22.269 2.627 -8.311 1.00 54.04 N ATOM 1074 CA PRO A 71 22.977 1.583 -7.590 1.00 32.44 C ATOM 1075 C PRO A 71 24.456 1.555 -7.977 1.00 41.31 C ATOM 1076 O PRO A 71 25.246 0.829 -7.376 1.00 74.34 O ATOM 1077 CB PRO A 71 22.245 0.298 -7.941 1.00 13.22 C ATOM 1078 CG PRO A 71 21.453 0.600 -9.203 1.00 74.42 C ATOM 1079 CD PRO A 71 21.430 2.108 -9.387 1.00 62.30 C ATOM 0 HA PRO A 71 22.979 1.743 -6.512 1.00 32.44 H new ATOM 0 HB2 PRO A 71 22.948 -0.519 -8.107 1.00 13.22 H new ATOM 0 HB3 PRO A 71 21.585 -0.009 -7.130 1.00 13.22 H new ATOM 0 HG2 PRO A 71 21.911 0.117 -10.066 1.00 74.42 H new ATOM 0 HG3 PRO A 71 20.439 0.210 -9.120 1.00 74.42 H new ATOM 0 HD2 PRO A 71 21.819 2.393 -10.365 1.00 62.30 H new ATOM 0 HD3 PRO A 71 20.415 2.499 -9.321 1.00 62.30 H new ATOM 1087 N LYS A 72 24.788 2.356 -8.980 1.00 40.44 N ATOM 1088 CA LYS A 72 26.159 2.433 -9.454 1.00 22.32 C ATOM 1089 C LYS A 72 26.997 3.230 -8.453 1.00 63.53 C ATOM 1090 O LYS A 72 28.085 2.803 -8.069 1.00 45.42 O ATOM 1091 CB LYS A 72 26.202 2.993 -10.877 1.00 54.30 C ATOM 1092 CG LYS A 72 25.404 2.111 -11.839 1.00 41.01 C ATOM 1093 CD LYS A 72 25.922 2.253 -13.271 1.00 72.43 C ATOM 1094 CE LYS A 72 27.073 1.281 -13.536 1.00 51.53 C ATOM 1095 NZ LYS A 72 27.263 1.086 -14.991 1.00 51.14 N1+ ATOM 0 H LYS A 72 24.131 2.957 -9.477 1.00 40.44 H new ATOM 0 HA LYS A 72 26.598 1.437 -9.514 1.00 22.32 H new ATOM 0 HB2 LYS A 72 25.797 4.005 -10.885 1.00 54.30 H new ATOM 0 HB3 LYS A 72 27.237 3.061 -11.214 1.00 54.30 H new ATOM 0 HG2 LYS A 72 25.473 1.069 -11.525 1.00 41.01 H new ATOM 0 HG3 LYS A 72 24.350 2.386 -11.801 1.00 41.01 H new ATOM 0 HD2 LYS A 72 25.112 2.064 -13.975 1.00 72.43 H new ATOM 0 HD3 LYS A 72 26.259 3.276 -13.440 1.00 72.43 H new ATOM 0 HE2 LYS A 72 27.991 1.666 -13.092 1.00 51.53 H new ATOM 0 HE3 LYS A 72 26.865 0.323 -13.059 1.00 51.53 H new ATOM 0 HZ1 LYS A 72 28.048 0.423 -15.153 1.00 51.14 H new ATOM 0 HZ2 LYS A 72 26.392 0.698 -15.406 1.00 51.14 H new ATOM 0 HZ3 LYS A 72 27.483 1.999 -15.438 1.00 51.14 H new ATOM 1108 N LYS A 73 26.459 4.375 -8.060 1.00 4.23 N ATOM 1109 CA LYS A 73 27.143 5.237 -7.111 1.00 34.14 C ATOM 1110 C LYS A 73 27.283 4.506 -5.773 1.00 2.10 C ATOM 1111 O LYS A 73 28.339 4.552 -5.144 1.00 35.44 O ATOM 1112 CB LYS A 73 26.432 6.587 -7.002 1.00 1.20 C ATOM 1113 CG LYS A 73 25.350 6.552 -5.921 1.00 32.13 C ATOM 1114 CD LYS A 73 24.569 7.867 -5.883 1.00 55.50 C ATOM 1115 CE LYS A 73 25.444 9.009 -5.361 1.00 5.11 C ATOM 1116 NZ LYS A 73 26.310 9.534 -6.440 1.00 51.34 N1+ ATOM 0 H LYS A 73 25.557 4.726 -8.382 1.00 4.23 H new ATOM 0 HA LYS A 73 28.151 5.462 -7.460 1.00 34.14 H new ATOM 0 HB2 LYS A 73 27.158 7.366 -6.770 1.00 1.20 H new ATOM 0 HB3 LYS A 73 25.984 6.844 -7.962 1.00 1.20 H new ATOM 0 HG2 LYS A 73 24.667 5.725 -6.112 1.00 32.13 H new ATOM 0 HG3 LYS A 73 25.808 6.369 -4.949 1.00 32.13 H new ATOM 0 HD2 LYS A 73 24.208 8.109 -6.883 1.00 55.50 H new ATOM 0 HD3 LYS A 73 23.692 7.755 -5.245 1.00 55.50 H new ATOM 0 HE2 LYS A 73 24.814 9.808 -4.971 1.00 5.11 H new ATOM 0 HE3 LYS A 73 26.059 8.655 -4.533 1.00 5.11 H new ATOM 0 HZ1 LYS A 73 27.302 9.303 -6.232 1.00 51.34 H new ATOM 0 HZ2 LYS A 73 26.036 9.103 -7.346 1.00 51.34 H new ATOM 0 HZ3 LYS A 73 26.201 10.566 -6.501 1.00 51.34 H new ATOM 1129 N TYR A 74 26.202 3.848 -5.380 1.00 21.02 N ATOM 1130 CA TYR A 74 26.191 3.109 -4.129 1.00 11.41 C ATOM 1131 C TYR A 74 27.314 2.071 -4.094 1.00 42.23 C ATOM 1132 O TYR A 74 28.100 2.034 -3.149 1.00 73.43 O ATOM 1133 CB TYR A 74 24.843 2.385 -4.079 1.00 34.24 C ATOM 1134 CG TYR A 74 24.334 2.113 -2.662 1.00 13.51 C ATOM 1135 CD1 TYR A 74 25.088 1.351 -1.793 1.00 0.20 C ATOM 1136 CD2 TYR A 74 23.122 2.630 -2.254 1.00 55.13 C ATOM 1137 CE1 TYR A 74 24.610 1.096 -0.459 1.00 65.02 C ATOM 1138 CE2 TYR A 74 22.643 2.375 -0.920 1.00 30.14 C ATOM 1139 CZ TYR A 74 23.410 1.620 -0.089 1.00 60.53 C ATOM 1140 OH TYR A 74 22.958 1.378 1.171 1.00 63.13 O ATOM 0 H TYR A 74 25.328 3.811 -5.905 1.00 21.02 H new ATOM 0 HA TYR A 74 26.336 3.783 -3.285 1.00 11.41 H new ATOM 0 HB2 TYR A 74 24.102 2.981 -4.612 1.00 34.24 H new ATOM 0 HB3 TYR A 74 24.931 1.437 -4.610 1.00 34.24 H new ATOM 0 HD1 TYR A 74 26.036 0.946 -2.113 1.00 0.20 H new ATOM 0 HD2 TYR A 74 22.532 3.226 -2.935 1.00 55.13 H new ATOM 0 HE1 TYR A 74 25.190 0.503 0.232 1.00 65.02 H new ATOM 0 HE2 TYR A 74 21.696 2.774 -0.587 1.00 30.14 H new ATOM 0 HH TYR A 74 22.090 1.814 1.296 1.00 63.13 H new ATOM 1150 N ILE A 75 27.356 1.256 -5.137 1.00 35.22 N ATOM 1151 CA ILE A 75 28.371 0.221 -5.239 1.00 2.31 C ATOM 1152 C ILE A 75 28.974 0.241 -6.644 1.00 30.40 C ATOM 1153 O ILE A 75 28.500 -0.459 -7.537 1.00 3.45 O ATOM 1154 CB ILE A 75 27.793 -1.137 -4.836 1.00 64.10 C ATOM 1155 CG1 ILE A 75 26.895 -1.008 -3.604 1.00 71.04 C ATOM 1156 CG2 ILE A 75 28.906 -2.167 -4.630 1.00 52.55 C ATOM 1157 CD1 ILE A 75 26.445 -2.383 -3.107 1.00 1.01 C ATOM 0 H ILE A 75 26.703 1.291 -5.920 1.00 35.22 H new ATOM 0 HA ILE A 75 29.185 0.415 -4.540 1.00 2.31 H new ATOM 0 HB ILE A 75 27.168 -1.498 -5.653 1.00 64.10 H new ATOM 0 HG12 ILE A 75 27.433 -0.489 -2.811 1.00 71.04 H new ATOM 0 HG13 ILE A 75 26.022 -0.402 -3.847 1.00 71.04 H new ATOM 0 HG21 ILE A 75 28.468 -3.123 -4.344 1.00 52.55 H new ATOM 0 HG22 ILE A 75 29.467 -2.287 -5.557 1.00 52.55 H new ATOM 0 HG23 ILE A 75 29.577 -1.825 -3.842 1.00 52.55 H new ATOM 0 HD11 ILE A 75 25.808 -2.263 -2.231 1.00 1.01 H new ATOM 0 HD12 ILE A 75 25.887 -2.890 -3.894 1.00 1.01 H new ATOM 0 HD13 ILE A 75 27.319 -2.978 -2.841 1.00 1.01 H new ATOM 1169 N PRO A 76 30.040 1.072 -6.800 1.00 75.43 N ATOM 1170 CA PRO A 76 30.714 1.192 -8.082 1.00 60.41 C ATOM 1171 C PRO A 76 31.586 -0.034 -8.360 1.00 71.21 C ATOM 1172 O PRO A 76 32.607 -0.235 -7.706 1.00 23.43 O ATOM 1173 CB PRO A 76 31.514 2.481 -7.987 1.00 52.32 C ATOM 1174 CG PRO A 76 31.628 2.791 -6.503 1.00 32.44 C ATOM 1175 CD PRO A 76 30.628 1.916 -5.765 1.00 2.31 C ATOM 0 HA PRO A 76 30.019 1.231 -8.921 1.00 60.41 H new ATOM 0 HB2 PRO A 76 32.499 2.364 -8.438 1.00 52.32 H new ATOM 0 HB3 PRO A 76 31.014 3.291 -8.518 1.00 52.32 H new ATOM 0 HG2 PRO A 76 32.640 2.596 -6.149 1.00 32.44 H new ATOM 0 HG3 PRO A 76 31.423 3.845 -6.317 1.00 32.44 H new ATOM 0 HD2 PRO A 76 31.117 1.317 -4.996 1.00 2.31 H new ATOM 0 HD3 PRO A 76 29.868 2.517 -5.266 1.00 2.31 H new ATOM 1183 N GLY A 77 31.150 -0.822 -9.332 1.00 41.14 N ATOM 1184 CA GLY A 77 31.878 -2.023 -9.705 1.00 61.20 C ATOM 1185 C GLY A 77 31.013 -3.271 -9.514 1.00 2.42 C ATOM 1186 O GLY A 77 31.458 -4.386 -9.781 1.00 31.14 O ATOM 0 H GLY A 77 30.302 -0.652 -9.872 1.00 41.14 H new ATOM 0 HA2 GLY A 77 32.195 -1.952 -10.745 1.00 61.20 H new ATOM 0 HA3 GLY A 77 32.782 -2.107 -9.101 1.00 61.20 H new ATOM 1190 N THR A 78 29.793 -3.040 -9.052 1.00 45.32 N ATOM 1191 CA THR A 78 28.861 -4.131 -8.823 1.00 52.32 C ATOM 1192 C THR A 78 28.572 -4.871 -10.130 1.00 15.00 C ATOM 1193 O THR A 78 28.897 -4.380 -11.211 1.00 74.51 O ATOM 1194 CB THR A 78 27.608 -3.551 -8.163 1.00 44.04 C ATOM 1195 OG1 THR A 78 26.661 -4.616 -8.221 1.00 51.42 O ATOM 1196 CG2 THR A 78 26.969 -2.439 -8.995 1.00 71.52 C ATOM 0 H THR A 78 29.428 -2.114 -8.830 1.00 45.32 H new ATOM 0 HA THR A 78 29.284 -4.878 -8.151 1.00 52.32 H new ATOM 0 HB THR A 78 27.864 -3.164 -7.176 1.00 44.04 H new ATOM 0 HG1 THR A 78 25.818 -4.327 -7.813 1.00 51.42 H new ATOM 0 HG21 THR A 78 26.084 -2.063 -8.481 1.00 71.52 H new ATOM 0 HG22 THR A 78 27.684 -1.627 -9.128 1.00 71.52 H new ATOM 0 HG23 THR A 78 26.682 -2.833 -9.970 1.00 71.52 H new ATOM 1204 N LYS A 79 27.966 -6.040 -9.990 1.00 35.35 N ATOM 1205 CA LYS A 79 27.630 -6.853 -11.147 1.00 23.13 C ATOM 1206 C LYS A 79 26.179 -6.583 -11.550 1.00 32.14 C ATOM 1207 O LYS A 79 25.588 -7.353 -12.307 1.00 61.34 O ATOM 1208 CB LYS A 79 27.928 -8.328 -10.869 1.00 4.04 C ATOM 1209 CG LYS A 79 29.269 -8.492 -10.152 1.00 33.42 C ATOM 1210 CD LYS A 79 29.842 -9.893 -10.374 1.00 24.30 C ATOM 1211 CE LYS A 79 29.090 -10.932 -9.539 1.00 10.21 C ATOM 1212 NZ LYS A 79 29.307 -10.694 -8.096 1.00 45.34 N1+ ATOM 0 H LYS A 79 27.699 -6.444 -9.093 1.00 35.35 H new ATOM 0 HA LYS A 79 28.253 -6.581 -11.999 1.00 23.13 H new ATOM 0 HB2 LYS A 79 27.131 -8.755 -10.260 1.00 4.04 H new ATOM 0 HB3 LYS A 79 27.943 -8.882 -11.807 1.00 4.04 H new ATOM 0 HG2 LYS A 79 29.974 -7.745 -10.517 1.00 33.42 H new ATOM 0 HG3 LYS A 79 29.139 -8.313 -9.085 1.00 33.42 H new ATOM 0 HD2 LYS A 79 29.776 -10.153 -11.430 1.00 24.30 H new ATOM 0 HD3 LYS A 79 30.899 -9.904 -10.108 1.00 24.30 H new ATOM 0 HE2 LYS A 79 28.025 -10.886 -9.765 1.00 10.21 H new ATOM 0 HE3 LYS A 79 29.429 -11.934 -9.803 1.00 10.21 H new ATOM 0 HZ1 LYS A 79 28.846 -11.447 -7.547 1.00 45.34 H new ATOM 0 HZ2 LYS A 79 30.327 -10.693 -7.894 1.00 45.34 H new ATOM 0 HZ3 LYS A 79 28.901 -9.774 -7.831 1.00 45.34 H new ATOM 1225 N MET A 80 25.647 -5.489 -11.027 1.00 75.05 N ATOM 1226 CA MET A 80 24.277 -5.107 -11.324 1.00 44.10 C ATOM 1227 C MET A 80 24.168 -4.494 -12.722 1.00 15.21 C ATOM 1228 O MET A 80 24.387 -3.296 -12.896 1.00 11.50 O ATOM 1229 CB MET A 80 23.791 -4.096 -10.283 1.00 41.23 C ATOM 1230 CG MET A 80 22.263 -4.013 -10.271 1.00 12.33 C ATOM 1231 SD MET A 80 21.596 -5.186 -9.102 1.00 55.50 S ATOM 1232 CE MET A 80 21.048 -4.070 -7.821 1.00 4.13 C ATOM 0 H MET A 80 26.140 -4.854 -10.399 1.00 75.05 H new ATOM 0 HA MET A 80 23.656 -6.002 -11.292 1.00 44.10 H new ATOM 0 HB2 MET A 80 24.151 -4.384 -9.295 1.00 41.23 H new ATOM 0 HB3 MET A 80 24.210 -3.114 -10.501 1.00 41.23 H new ATOM 0 HG2 MET A 80 21.948 -3.004 -10.006 1.00 12.33 H new ATOM 0 HG3 MET A 80 21.872 -4.218 -11.268 1.00 12.33 H new ATOM 0 HE1 MET A 80 21.539 -4.325 -6.882 1.00 4.13 H new ATOM 0 HE2 MET A 80 21.302 -3.047 -8.097 1.00 4.13 H new ATOM 0 HE3 MET A 80 19.968 -4.156 -7.701 1.00 4.13 H new ATOM 1242 N ILE A 81 23.829 -5.343 -13.680 1.00 73.13 N ATOM 1243 CA ILE A 81 23.689 -4.898 -15.057 1.00 63.41 C ATOM 1244 C ILE A 81 22.628 -3.799 -15.128 1.00 63.43 C ATOM 1245 O ILE A 81 22.566 -3.053 -16.105 1.00 21.32 O ATOM 1246 CB ILE A 81 23.405 -6.087 -15.977 1.00 65.11 C ATOM 1247 CG1 ILE A 81 24.688 -6.864 -16.282 1.00 3.45 C ATOM 1248 CG2 ILE A 81 22.691 -5.635 -17.253 1.00 43.10 C ATOM 1249 CD1 ILE A 81 25.389 -7.291 -14.991 1.00 64.30 C ATOM 0 H ILE A 81 23.647 -6.336 -13.531 1.00 73.13 H new ATOM 0 HA ILE A 81 24.623 -4.463 -15.414 1.00 63.41 H new ATOM 0 HB ILE A 81 22.733 -6.769 -15.456 1.00 65.11 H new ATOM 0 HG12 ILE A 81 24.451 -7.744 -16.880 1.00 3.45 H new ATOM 0 HG13 ILE A 81 25.359 -6.245 -16.877 1.00 3.45 H new ATOM 0 HG21 ILE A 81 22.501 -6.499 -17.889 1.00 43.10 H new ATOM 0 HG22 ILE A 81 21.745 -5.161 -16.992 1.00 43.10 H new ATOM 0 HG23 ILE A 81 23.318 -4.922 -17.788 1.00 43.10 H new ATOM 0 HD11 ILE A 81 26.298 -7.841 -15.235 1.00 64.30 H new ATOM 0 HD12 ILE A 81 25.646 -6.407 -14.407 1.00 64.30 H new ATOM 0 HD13 ILE A 81 24.724 -7.929 -14.410 1.00 64.30 H new ATOM 1261 N PHE A 82 21.820 -3.732 -14.080 1.00 51.30 N ATOM 1262 CA PHE A 82 20.764 -2.736 -14.012 1.00 2.04 C ATOM 1263 C PHE A 82 21.323 -1.329 -14.235 1.00 11.53 C ATOM 1264 O PHE A 82 22.538 -1.134 -14.248 1.00 33.35 O ATOM 1265 CB PHE A 82 20.165 -2.816 -12.606 1.00 11.41 C ATOM 1266 CG PHE A 82 18.872 -2.016 -12.435 1.00 52.20 C ATOM 1267 CD1 PHE A 82 17.929 -2.031 -13.416 1.00 64.53 C ATOM 1268 CD2 PHE A 82 18.663 -1.293 -11.303 1.00 24.33 C ATOM 1269 CE1 PHE A 82 16.729 -1.288 -13.257 1.00 62.32 C ATOM 1270 CE2 PHE A 82 17.463 -0.552 -11.143 1.00 21.13 C ATOM 1271 CZ PHE A 82 16.521 -0.565 -12.124 1.00 52.30 C ATOM 0 H PHE A 82 21.875 -4.351 -13.271 1.00 51.30 H new ATOM 0 HA PHE A 82 20.019 -2.929 -14.784 1.00 2.04 H new ATOM 0 HB2 PHE A 82 19.969 -3.861 -12.365 1.00 11.41 H new ATOM 0 HB3 PHE A 82 20.901 -2.456 -11.887 1.00 11.41 H new ATOM 0 HD1 PHE A 82 18.093 -2.607 -14.315 1.00 64.53 H new ATOM 0 HD2 PHE A 82 19.411 -1.282 -10.524 1.00 24.33 H new ATOM 0 HE1 PHE A 82 15.981 -1.297 -14.036 1.00 62.32 H new ATOM 0 HE2 PHE A 82 17.298 0.022 -10.243 1.00 21.13 H new ATOM 0 HZ PHE A 82 15.608 -0.001 -12.003 1.00 52.30 H new ATOM 1281 N VAL A 83 20.410 -0.384 -14.407 1.00 11.14 N ATOM 1282 CA VAL A 83 20.796 0.999 -14.629 1.00 50.45 C ATOM 1283 C VAL A 83 20.210 1.873 -13.519 1.00 64.23 C ATOM 1284 O VAL A 83 20.917 2.684 -12.924 1.00 22.41 O ATOM 1285 CB VAL A 83 20.368 1.442 -16.030 1.00 72.20 C ATOM 1286 CG1 VAL A 83 21.068 0.613 -17.106 1.00 12.30 C ATOM 1287 CG2 VAL A 83 18.847 1.372 -16.186 1.00 22.20 C ATOM 0 H VAL A 83 19.404 -0.549 -14.397 1.00 11.14 H new ATOM 0 HA VAL A 83 21.880 1.105 -14.586 1.00 50.45 H new ATOM 0 HB VAL A 83 20.671 2.481 -16.159 1.00 72.20 H new ATOM 0 HG11 VAL A 83 20.745 0.949 -18.091 1.00 12.30 H new ATOM 0 HG12 VAL A 83 22.147 0.737 -17.016 1.00 12.30 H new ATOM 0 HG13 VAL A 83 20.811 -0.439 -16.979 1.00 12.30 H new ATOM 0 HG21 VAL A 83 18.569 1.692 -17.190 1.00 22.20 H new ATOM 0 HG22 VAL A 83 18.512 0.347 -16.026 1.00 22.20 H new ATOM 0 HG23 VAL A 83 18.376 2.027 -15.453 1.00 22.20 H new ATOM 1297 N GLY A 84 18.922 1.677 -13.274 1.00 42.12 N ATOM 1298 CA GLY A 84 18.233 2.438 -12.246 1.00 22.32 C ATOM 1299 C GLY A 84 16.817 2.808 -12.694 1.00 4.23 C ATOM 1300 O GLY A 84 16.396 2.449 -13.793 1.00 44.21 O ATOM 0 H GLY A 84 18.339 1.003 -13.769 1.00 42.12 H new ATOM 0 HA2 GLY A 84 18.187 1.855 -11.326 1.00 22.32 H new ATOM 0 HA3 GLY A 84 18.795 3.344 -12.021 1.00 22.32 H new ATOM 1304 N ILE A 85 16.122 3.522 -11.821 1.00 0.21 N ATOM 1305 CA ILE A 85 14.763 3.945 -12.113 1.00 22.34 C ATOM 1306 C ILE A 85 14.693 5.473 -12.093 1.00 73.43 C ATOM 1307 O ILE A 85 15.535 6.128 -11.480 1.00 55.21 O ATOM 1308 CB ILE A 85 13.776 3.272 -11.158 1.00 13.11 C ATOM 1309 CG1 ILE A 85 13.849 1.748 -11.277 1.00 31.10 C ATOM 1310 CG2 ILE A 85 12.355 3.795 -11.379 1.00 13.43 C ATOM 1311 CD1 ILE A 85 12.627 1.088 -10.638 1.00 71.13 C ATOM 0 H ILE A 85 16.475 3.818 -10.911 1.00 0.21 H new ATOM 0 HA ILE A 85 14.472 3.626 -13.114 1.00 22.34 H new ATOM 0 HB ILE A 85 14.060 3.530 -10.138 1.00 13.11 H new ATOM 0 HG12 ILE A 85 13.912 1.465 -12.328 1.00 31.10 H new ATOM 0 HG13 ILE A 85 14.756 1.385 -10.794 1.00 31.10 H new ATOM 0 HG21 ILE A 85 11.673 3.300 -10.687 1.00 13.43 H new ATOM 0 HG22 ILE A 85 12.332 4.871 -11.204 1.00 13.43 H new ATOM 0 HG23 ILE A 85 12.046 3.587 -12.403 1.00 13.43 H new ATOM 0 HD11 ILE A 85 12.705 0.005 -10.737 1.00 71.13 H new ATOM 0 HD12 ILE A 85 12.581 1.354 -9.582 1.00 71.13 H new ATOM 0 HD13 ILE A 85 11.723 1.434 -11.139 1.00 71.13 H new ATOM 1323 N LYS A 86 13.682 5.997 -12.770 1.00 70.13 N ATOM 1324 CA LYS A 86 13.491 7.436 -12.838 1.00 52.41 C ATOM 1325 C LYS A 86 12.225 7.814 -12.068 1.00 72.24 C ATOM 1326 O LYS A 86 12.165 8.875 -11.449 1.00 12.14 O ATOM 1327 CB LYS A 86 13.491 7.908 -14.293 1.00 14.22 C ATOM 1328 CG LYS A 86 14.916 8.181 -14.781 1.00 24.43 C ATOM 1329 CD LYS A 86 15.550 6.914 -15.358 1.00 71.23 C ATOM 1330 CE LYS A 86 15.289 6.806 -16.861 1.00 51.35 C ATOM 1331 NZ LYS A 86 15.232 5.386 -17.275 1.00 32.04 N1+ ATOM 0 H LYS A 86 12.986 5.450 -13.277 1.00 70.13 H new ATOM 0 HA LYS A 86 14.322 7.954 -12.360 1.00 52.41 H new ATOM 0 HB2 LYS A 86 13.025 7.151 -14.924 1.00 14.22 H new ATOM 0 HB3 LYS A 86 12.891 8.814 -14.385 1.00 14.22 H new ATOM 0 HG2 LYS A 86 14.901 8.963 -15.541 1.00 24.43 H new ATOM 0 HG3 LYS A 86 15.523 8.552 -13.955 1.00 24.43 H new ATOM 0 HD2 LYS A 86 16.624 6.923 -15.172 1.00 71.23 H new ATOM 0 HD3 LYS A 86 15.146 6.038 -14.851 1.00 71.23 H new ATOM 0 HE2 LYS A 86 14.351 7.302 -17.110 1.00 51.35 H new ATOM 0 HE3 LYS A 86 16.077 7.320 -17.411 1.00 51.35 H new ATOM 0 HZ1 LYS A 86 15.054 5.330 -18.298 1.00 32.04 H new ATOM 0 HZ2 LYS A 86 16.137 4.924 -17.055 1.00 32.04 H new ATOM 0 HZ3 LYS A 86 14.465 4.906 -16.763 1.00 32.04 H new ATOM 1344 N LYS A 87 11.244 6.926 -12.132 1.00 51.43 N ATOM 1345 CA LYS A 87 9.982 7.154 -11.448 1.00 71.11 C ATOM 1346 C LYS A 87 10.109 6.709 -9.990 1.00 30.25 C ATOM 1347 O LYS A 87 10.230 5.518 -9.709 1.00 52.34 O ATOM 1348 CB LYS A 87 8.835 6.476 -12.201 1.00 51.42 C ATOM 1349 CG LYS A 87 8.339 7.354 -13.351 1.00 42.12 C ATOM 1350 CD LYS A 87 7.412 8.458 -12.837 1.00 3.45 C ATOM 1351 CE LYS A 87 5.971 7.956 -12.726 1.00 15.15 C ATOM 1352 NZ LYS A 87 5.147 8.912 -11.952 1.00 2.13 N1+ ATOM 0 H LYS A 87 11.297 6.047 -12.647 1.00 51.43 H new ATOM 0 HA LYS A 87 9.741 8.217 -11.437 1.00 71.11 H new ATOM 0 HB2 LYS A 87 9.169 5.515 -12.591 1.00 51.42 H new ATOM 0 HB3 LYS A 87 8.014 6.273 -11.514 1.00 51.42 H new ATOM 0 HG2 LYS A 87 9.190 7.799 -13.867 1.00 42.12 H new ATOM 0 HG3 LYS A 87 7.810 6.740 -14.080 1.00 42.12 H new ATOM 0 HD2 LYS A 87 7.757 8.803 -11.862 1.00 3.45 H new ATOM 0 HD3 LYS A 87 7.452 9.314 -13.510 1.00 3.45 H new ATOM 0 HE2 LYS A 87 5.548 7.825 -13.722 1.00 15.15 H new ATOM 0 HE3 LYS A 87 5.956 6.979 -12.242 1.00 15.15 H new ATOM 0 HZ1 LYS A 87 4.172 8.556 -11.886 1.00 2.13 H new ATOM 0 HZ2 LYS A 87 5.543 9.017 -10.996 1.00 2.13 H new ATOM 0 HZ3 LYS A 87 5.147 9.836 -12.429 1.00 2.13 H new ATOM 1365 N LYS A 88 10.078 7.691 -9.101 1.00 73.34 N ATOM 1366 CA LYS A 88 10.188 7.416 -7.678 1.00 10.55 C ATOM 1367 C LYS A 88 8.935 6.675 -7.208 1.00 15.32 C ATOM 1368 O LYS A 88 8.932 6.068 -6.138 1.00 51.24 O ATOM 1369 CB LYS A 88 10.469 8.704 -6.903 1.00 73.43 C ATOM 1370 CG LYS A 88 9.165 9.382 -6.476 1.00 35.34 C ATOM 1371 CD LYS A 88 8.393 9.902 -7.690 1.00 1.31 C ATOM 1372 CE LYS A 88 6.997 10.380 -7.289 1.00 44.14 C ATOM 1373 NZ LYS A 88 6.406 11.213 -8.360 1.00 21.31 N1+ ATOM 0 H LYS A 88 9.978 8.678 -9.338 1.00 73.34 H new ATOM 0 HA LYS A 88 11.038 6.762 -7.481 1.00 10.55 H new ATOM 0 HB2 LYS A 88 11.071 8.479 -6.023 1.00 73.43 H new ATOM 0 HB3 LYS A 88 11.052 9.386 -7.522 1.00 73.43 H new ATOM 0 HG2 LYS A 88 8.547 8.674 -5.924 1.00 35.34 H new ATOM 0 HG3 LYS A 88 9.385 10.208 -5.800 1.00 35.34 H new ATOM 0 HD2 LYS A 88 8.943 10.722 -8.151 1.00 1.31 H new ATOM 0 HD3 LYS A 88 8.310 9.113 -8.438 1.00 1.31 H new ATOM 0 HE2 LYS A 88 6.355 9.521 -7.092 1.00 44.14 H new ATOM 0 HE3 LYS A 88 7.055 10.954 -6.364 1.00 44.14 H new ATOM 0 HZ1 LYS A 88 5.458 11.529 -8.071 1.00 21.31 H new ATOM 0 HZ2 LYS A 88 7.011 12.042 -8.529 1.00 21.31 H new ATOM 0 HZ3 LYS A 88 6.333 10.654 -9.234 1.00 21.31 H new ATOM 1386 N GLU A 89 7.898 6.750 -8.030 1.00 4.13 N ATOM 1387 CA GLU A 89 6.641 6.096 -7.711 1.00 30.31 C ATOM 1388 C GLU A 89 6.724 4.602 -8.032 1.00 34.03 C ATOM 1389 O GLU A 89 5.868 3.824 -7.613 1.00 20.11 O ATOM 1390 CB GLU A 89 5.477 6.753 -8.455 1.00 13.22 C ATOM 1391 CG GLU A 89 4.137 6.163 -8.007 1.00 72.24 C ATOM 1392 CD GLU A 89 2.968 6.892 -8.674 1.00 43.14 C ATOM 1393 OE1 GLU A 89 2.863 8.122 -8.567 1.00 43.15 O ATOM 1394 OE2 GLU A 89 2.150 6.132 -9.319 1.00 73.44 O1- ATOM 0 H GLU A 89 7.903 7.254 -8.917 1.00 4.13 H new ATOM 0 HA GLU A 89 6.456 6.209 -6.643 1.00 30.31 H new ATOM 0 HB2 GLU A 89 5.484 7.828 -8.273 1.00 13.22 H new ATOM 0 HB3 GLU A 89 5.600 6.611 -9.529 1.00 13.22 H new ATOM 0 HG2 GLU A 89 4.100 5.103 -8.258 1.00 72.24 H new ATOM 0 HG3 GLU A 89 4.046 6.238 -6.923 1.00 72.24 H new ATOM 1402 N GLU A 90 7.763 4.246 -8.775 1.00 5.05 N ATOM 1403 CA GLU A 90 7.969 2.860 -9.158 1.00 64.24 C ATOM 1404 C GLU A 90 9.015 2.209 -8.250 1.00 42.35 C ATOM 1405 O GLU A 90 9.186 0.991 -8.270 1.00 45.31 O ATOM 1406 CB GLU A 90 8.375 2.751 -10.629 1.00 25.43 C ATOM 1407 CG GLU A 90 7.147 2.785 -11.541 1.00 31.10 C ATOM 1408 CD GLU A 90 6.638 4.216 -11.723 1.00 25.43 C ATOM 1409 OE1 GLU A 90 6.832 4.812 -12.793 1.00 53.11 O ATOM 1410 OE2 GLU A 90 6.020 4.708 -10.703 1.00 24.22 O1- ATOM 0 H GLU A 90 8.471 4.894 -9.121 1.00 5.05 H new ATOM 0 HA GLU A 90 7.027 2.326 -9.036 1.00 64.24 H new ATOM 0 HB2 GLU A 90 9.046 3.570 -10.886 1.00 25.43 H new ATOM 0 HB3 GLU A 90 8.926 1.825 -10.790 1.00 25.43 H new ATOM 0 HG2 GLU A 90 7.399 2.359 -12.512 1.00 31.10 H new ATOM 0 HG3 GLU A 90 6.357 2.166 -11.116 1.00 31.10 H new ATOM 1418 N ARG A 91 9.687 3.049 -7.477 1.00 31.35 N ATOM 1419 CA ARG A 91 10.711 2.570 -6.565 1.00 20.15 C ATOM 1420 C ARG A 91 10.099 2.255 -5.198 1.00 3.32 C ATOM 1421 O ARG A 91 10.553 1.345 -4.506 1.00 1.04 O ATOM 1422 CB ARG A 91 11.823 3.608 -6.391 1.00 14.11 C ATOM 1423 CG ARG A 91 12.571 3.834 -7.706 1.00 42.25 C ATOM 1424 CD ARG A 91 13.919 4.513 -7.459 1.00 41.32 C ATOM 1425 NE ARG A 91 13.718 5.955 -7.188 1.00 5.33 N ATOM 1426 CZ ARG A 91 13.616 6.898 -8.149 1.00 1.11 C ATOM 1427 NH1 ARG A 91 13.697 6.560 -9.452 1.00 41.21 N ATOM 1428 NH2 ARG A 91 13.436 8.157 -7.793 1.00 32.24 N1+ ATOM 0 H ARG A 91 9.542 4.059 -7.464 1.00 31.35 H new ATOM 0 HA ARG A 91 11.139 1.664 -6.993 1.00 20.15 H new ATOM 0 HB2 ARG A 91 11.396 4.549 -6.045 1.00 14.11 H new ATOM 0 HB3 ARG A 91 12.521 3.273 -5.624 1.00 14.11 H new ATOM 0 HG2 ARG A 91 12.727 2.879 -8.209 1.00 42.25 H new ATOM 0 HG3 ARG A 91 11.966 4.450 -8.372 1.00 42.25 H new ATOM 0 HD2 ARG A 91 14.423 4.043 -6.615 1.00 41.32 H new ATOM 0 HD3 ARG A 91 14.565 4.384 -8.328 1.00 41.32 H new ATOM 0 HE ARG A 91 13.653 6.254 -6.215 1.00 5.33 H new ATOM 0 HH11 ARG A 91 13.836 5.585 -9.718 1.00 41.21 H new ATOM 0 HH12 ARG A 91 13.619 7.279 -10.171 1.00 41.21 H new ATOM 0 HH21 ARG A 91 13.376 8.404 -6.805 1.00 32.24 H new ATOM 0 HH22 ARG A 91 13.357 8.882 -8.506 1.00 32.24 H new ATOM 1441 N ALA A 92 9.078 3.024 -4.851 1.00 43.14 N ATOM 1442 CA ALA A 92 8.400 2.838 -3.579 1.00 61.50 C ATOM 1443 C ALA A 92 7.483 1.616 -3.669 1.00 12.24 C ATOM 1444 O ALA A 92 7.047 1.086 -2.649 1.00 11.23 O ATOM 1445 CB ALA A 92 7.638 4.114 -3.216 1.00 62.14 C ATOM 0 H ALA A 92 8.704 3.777 -5.428 1.00 43.14 H new ATOM 0 HA ALA A 92 9.121 2.651 -2.783 1.00 61.50 H new ATOM 0 HB1 ALA A 92 7.129 3.975 -2.262 1.00 62.14 H new ATOM 0 HB2 ALA A 92 8.338 4.946 -3.136 1.00 62.14 H new ATOM 0 HB3 ALA A 92 6.903 4.332 -3.991 1.00 62.14 H new ATOM 1451 N ASP A 93 7.217 1.207 -4.901 1.00 75.33 N ATOM 1452 CA ASP A 93 6.359 0.058 -5.138 1.00 73.40 C ATOM 1453 C ASP A 93 7.222 -1.199 -5.269 1.00 31.00 C ATOM 1454 O ASP A 93 6.937 -2.220 -4.645 1.00 62.34 O ATOM 1455 CB ASP A 93 5.563 0.223 -6.434 1.00 62.14 C ATOM 1456 CG ASP A 93 4.408 1.223 -6.362 1.00 74.20 C ATOM 1457 OD1 ASP A 93 3.939 1.580 -5.270 1.00 71.11 O ATOM 1458 OD2 ASP A 93 3.981 1.647 -7.503 1.00 64.24 O1- ATOM 0 H ASP A 93 7.580 1.650 -5.745 1.00 75.33 H new ATOM 0 HA ASP A 93 5.668 -0.026 -4.299 1.00 73.40 H new ATOM 0 HB2 ASP A 93 6.245 0.536 -7.224 1.00 62.14 H new ATOM 0 HB3 ASP A 93 5.164 -0.749 -6.724 1.00 62.14 H new ATOM 1464 N LEU A 94 8.260 -1.083 -6.085 1.00 12.24 N ATOM 1465 CA LEU A 94 9.165 -2.197 -6.306 1.00 1.33 C ATOM 1466 C LEU A 94 9.718 -2.673 -4.962 1.00 21.32 C ATOM 1467 O LEU A 94 9.959 -3.865 -4.772 1.00 4.12 O ATOM 1468 CB LEU A 94 10.250 -1.813 -7.316 1.00 1.22 C ATOM 1469 CG LEU A 94 11.374 -2.832 -7.511 1.00 64.13 C ATOM 1470 CD1 LEU A 94 10.847 -4.114 -8.158 1.00 14.55 C ATOM 1471 CD2 LEU A 94 12.533 -2.224 -8.304 1.00 54.24 C ATOM 0 H LEU A 94 8.494 -0.235 -6.601 1.00 12.24 H new ATOM 0 HA LEU A 94 8.632 -3.039 -6.749 1.00 1.33 H new ATOM 0 HB2 LEU A 94 9.775 -1.637 -8.281 1.00 1.22 H new ATOM 0 HB3 LEU A 94 10.693 -0.868 -7.002 1.00 1.22 H new ATOM 0 HG LEU A 94 11.762 -3.104 -6.529 1.00 64.13 H new ATOM 0 HD11 LEU A 94 11.667 -4.821 -8.285 1.00 14.55 H new ATOM 0 HD12 LEU A 94 10.082 -4.556 -7.519 1.00 14.55 H new ATOM 0 HD13 LEU A 94 10.416 -3.880 -9.131 1.00 14.55 H new ATOM 0 HD21 LEU A 94 13.319 -2.969 -8.429 1.00 54.24 H new ATOM 0 HD22 LEU A 94 12.176 -1.906 -9.283 1.00 54.24 H new ATOM 0 HD23 LEU A 94 12.931 -1.364 -7.765 1.00 54.24 H new ATOM 1483 N ILE A 95 9.905 -1.718 -4.063 1.00 21.15 N ATOM 1484 CA ILE A 95 10.426 -2.025 -2.741 1.00 63.21 C ATOM 1485 C ILE A 95 9.294 -2.567 -1.865 1.00 63.41 C ATOM 1486 O ILE A 95 9.495 -3.506 -1.096 1.00 23.11 O ATOM 1487 CB ILE A 95 11.133 -0.806 -2.147 1.00 43.12 C ATOM 1488 CG1 ILE A 95 12.421 -0.493 -2.910 1.00 32.14 C ATOM 1489 CG2 ILE A 95 11.384 -0.992 -0.650 1.00 73.02 C ATOM 1490 CD1 ILE A 95 12.927 0.913 -2.580 1.00 73.24 C ATOM 0 H ILE A 95 9.705 -0.731 -4.224 1.00 21.15 H new ATOM 0 HA ILE A 95 11.184 -2.805 -2.802 1.00 63.21 H new ATOM 0 HB ILE A 95 10.476 0.057 -2.258 1.00 43.12 H new ATOM 0 HG12 ILE A 95 13.186 -1.227 -2.656 1.00 32.14 H new ATOM 0 HG13 ILE A 95 12.242 -0.577 -3.982 1.00 32.14 H new ATOM 0 HG21 ILE A 95 11.888 -0.111 -0.253 1.00 73.02 H new ATOM 0 HG22 ILE A 95 10.433 -1.128 -0.136 1.00 73.02 H new ATOM 0 HG23 ILE A 95 12.011 -1.870 -0.492 1.00 73.02 H new ATOM 0 HD11 ILE A 95 13.844 1.110 -3.136 1.00 73.24 H new ATOM 0 HD12 ILE A 95 12.170 1.647 -2.857 1.00 73.24 H new ATOM 0 HD13 ILE A 95 13.128 0.986 -1.511 1.00 73.24 H new ATOM 1502 N ALA A 96 8.129 -1.954 -2.013 1.00 32.22 N ATOM 1503 CA ALA A 96 6.966 -2.363 -1.245 1.00 61.14 C ATOM 1504 C ALA A 96 6.710 -3.855 -1.471 1.00 33.13 C ATOM 1505 O ALA A 96 6.041 -4.503 -0.667 1.00 22.11 O ATOM 1506 CB ALA A 96 5.765 -1.500 -1.638 1.00 55.41 C ATOM 0 H ALA A 96 7.966 -1.177 -2.653 1.00 32.22 H new ATOM 0 HA ALA A 96 7.139 -2.215 -0.179 1.00 61.14 H new ATOM 0 HB1 ALA A 96 4.892 -1.807 -1.062 1.00 55.41 H new ATOM 0 HB2 ALA A 96 5.986 -0.453 -1.431 1.00 55.41 H new ATOM 0 HB3 ALA A 96 5.560 -1.625 -2.701 1.00 55.41 H new ATOM 1512 N TYR A 97 7.254 -4.355 -2.570 1.00 60.33 N ATOM 1513 CA TYR A 97 7.093 -5.758 -2.913 1.00 13.11 C ATOM 1514 C TYR A 97 8.256 -6.592 -2.372 1.00 22.34 C ATOM 1515 O TYR A 97 8.049 -7.525 -1.598 1.00 64.42 O ATOM 1516 CB TYR A 97 7.102 -5.824 -4.441 1.00 3.14 C ATOM 1517 CG TYR A 97 7.445 -7.205 -5.004 1.00 15.05 C ATOM 1518 CD1 TYR A 97 7.098 -8.341 -4.301 1.00 21.51 C ATOM 1519 CD2 TYR A 97 8.102 -7.313 -6.212 1.00 74.52 C ATOM 1520 CE1 TYR A 97 7.421 -9.641 -4.830 1.00 54.24 C ATOM 1521 CE2 TYR A 97 8.425 -8.614 -6.742 1.00 1.23 C ATOM 1522 CZ TYR A 97 8.068 -9.712 -6.024 1.00 73.54 C ATOM 1523 OH TYR A 97 8.373 -10.940 -6.524 1.00 60.45 O ATOM 0 H TYR A 97 7.807 -3.814 -3.235 1.00 60.33 H new ATOM 0 HA TYR A 97 6.173 -6.154 -2.483 1.00 13.11 H new ATOM 0 HB2 TYR A 97 6.122 -5.525 -4.813 1.00 3.14 H new ATOM 0 HB3 TYR A 97 7.822 -5.099 -4.821 1.00 3.14 H new ATOM 0 HD1 TYR A 97 6.585 -8.255 -3.355 1.00 21.51 H new ATOM 0 HD2 TYR A 97 8.374 -6.423 -6.760 1.00 74.52 H new ATOM 0 HE1 TYR A 97 7.156 -10.538 -4.291 1.00 54.24 H new ATOM 0 HE2 TYR A 97 8.938 -8.714 -7.687 1.00 1.23 H new ATOM 0 HH TYR A 97 9.085 -10.854 -7.192 1.00 60.45 H new ATOM 1533 N LEU A 98 9.455 -6.225 -2.801 1.00 52.20 N ATOM 1534 CA LEU A 98 10.651 -6.928 -2.370 1.00 32.23 C ATOM 1535 C LEU A 98 10.656 -7.028 -0.842 1.00 0.11 C ATOM 1536 O LEU A 98 11.186 -7.986 -0.282 1.00 31.23 O ATOM 1537 CB LEU A 98 11.902 -6.260 -2.945 1.00 12.22 C ATOM 1538 CG LEU A 98 12.341 -6.739 -4.330 1.00 61.35 C ATOM 1539 CD1 LEU A 98 13.684 -6.121 -4.724 1.00 55.52 C ATOM 1540 CD2 LEU A 98 12.371 -8.267 -4.396 1.00 14.05 C ATOM 0 H LEU A 98 9.623 -5.450 -3.442 1.00 52.20 H new ATOM 0 HA LEU A 98 10.654 -7.947 -2.758 1.00 32.23 H new ATOM 0 HB2 LEU A 98 11.727 -5.185 -2.993 1.00 12.22 H new ATOM 0 HB3 LEU A 98 12.726 -6.418 -2.250 1.00 12.22 H new ATOM 0 HG LEU A 98 11.605 -6.399 -5.059 1.00 61.35 H new ATOM 0 HD11 LEU A 98 13.973 -6.478 -5.713 1.00 55.52 H new ATOM 0 HD12 LEU A 98 13.593 -5.035 -4.743 1.00 55.52 H new ATOM 0 HD13 LEU A 98 14.444 -6.409 -3.998 1.00 55.52 H new ATOM 0 HD21 LEU A 98 12.686 -8.582 -5.391 1.00 14.05 H new ATOM 0 HD22 LEU A 98 13.073 -8.649 -3.655 1.00 14.05 H new ATOM 0 HD23 LEU A 98 11.375 -8.660 -4.189 1.00 14.05 H new ATOM 1552 N LYS A 99 10.060 -6.025 -0.214 1.00 42.13 N ATOM 1553 CA LYS A 99 9.988 -5.990 1.237 1.00 65.14 C ATOM 1554 C LYS A 99 9.047 -7.093 1.725 1.00 74.10 C ATOM 1555 O LYS A 99 9.265 -7.676 2.786 1.00 12.40 O ATOM 1556 CB LYS A 99 9.599 -4.591 1.719 1.00 53.10 C ATOM 1557 CG LYS A 99 8.080 -4.456 1.838 1.00 51.40 C ATOM 1558 CD LYS A 99 7.693 -3.076 2.374 1.00 53.31 C ATOM 1559 CE LYS A 99 6.190 -2.996 2.652 1.00 14.20 C ATOM 1560 NZ LYS A 99 5.857 -3.713 3.904 1.00 30.50 N1+ ATOM 0 H LYS A 99 9.623 -5.231 -0.683 1.00 42.13 H new ATOM 0 HA LYS A 99 10.967 -6.192 1.672 1.00 65.14 H new ATOM 0 HB2 LYS A 99 10.062 -4.393 2.686 1.00 53.10 H new ATOM 0 HB3 LYS A 99 9.981 -3.843 1.024 1.00 53.10 H new ATOM 0 HG2 LYS A 99 7.620 -4.614 0.863 1.00 51.40 H new ATOM 0 HG3 LYS A 99 7.693 -5.229 2.502 1.00 51.40 H new ATOM 0 HD2 LYS A 99 8.247 -2.869 3.290 1.00 53.31 H new ATOM 0 HD3 LYS A 99 7.974 -2.310 1.652 1.00 53.31 H new ATOM 0 HE2 LYS A 99 5.883 -1.953 2.730 1.00 14.20 H new ATOM 0 HE3 LYS A 99 5.636 -3.429 1.819 1.00 14.20 H new ATOM 0 HZ1 LYS A 99 4.862 -3.537 4.151 1.00 30.50 H new ATOM 0 HZ2 LYS A 99 6.005 -4.734 3.769 1.00 30.50 H new ATOM 0 HZ3 LYS A 99 6.470 -3.373 4.672 1.00 30.50 H new ATOM 1573 N LYS A 100 8.020 -7.345 0.928 1.00 45.50 N ATOM 1574 CA LYS A 100 7.045 -8.368 1.265 1.00 71.42 C ATOM 1575 C LYS A 100 7.504 -9.712 0.698 1.00 15.31 C ATOM 1576 O LYS A 100 7.010 -10.763 1.103 1.00 13.03 O ATOM 1577 CB LYS A 100 5.648 -7.951 0.800 1.00 23.01 C ATOM 1578 CG LYS A 100 4.565 -8.625 1.644 1.00 62.30 C ATOM 1579 CD LYS A 100 3.170 -8.310 1.100 1.00 21.42 C ATOM 1580 CE LYS A 100 2.086 -8.714 2.101 1.00 4.03 C ATOM 1581 NZ LYS A 100 0.743 -8.591 1.490 1.00 72.11 N1+ ATOM 0 H LYS A 100 7.842 -6.858 0.049 1.00 45.50 H new ATOM 0 HA LYS A 100 6.975 -8.485 2.347 1.00 71.42 H new ATOM 0 HB2 LYS A 100 5.546 -6.868 0.869 1.00 23.01 H new ATOM 0 HB3 LYS A 100 5.515 -8.218 -0.249 1.00 23.01 H new ATOM 0 HG2 LYS A 100 4.722 -9.704 1.649 1.00 62.30 H new ATOM 0 HG3 LYS A 100 4.641 -8.287 2.677 1.00 62.30 H new ATOM 0 HD2 LYS A 100 3.092 -7.244 0.885 1.00 21.42 H new ATOM 0 HD3 LYS A 100 3.015 -8.837 0.159 1.00 21.42 H new ATOM 0 HE2 LYS A 100 2.250 -9.741 2.429 1.00 4.03 H new ATOM 0 HE3 LYS A 100 2.148 -8.083 2.987 1.00 4.03 H new ATOM 0 HZ1 LYS A 100 0.019 -8.869 2.183 1.00 72.11 H new ATOM 0 HZ2 LYS A 100 0.583 -7.605 1.199 1.00 72.11 H new ATOM 0 HZ3 LYS A 100 0.682 -9.212 0.658 1.00 72.11 H new ATOM 1594 N ALA A 101 8.445 -9.636 -0.232 1.00 64.02 N ATOM 1595 CA ALA A 101 8.979 -10.833 -0.858 1.00 24.13 C ATOM 1596 C ALA A 101 10.038 -11.452 0.054 1.00 72.45 C ATOM 1597 O ALA A 101 10.107 -12.674 0.193 1.00 21.11 O ATOM 1598 CB ALA A 101 9.532 -10.483 -2.241 1.00 75.14 C ATOM 0 H ALA A 101 8.851 -8.763 -0.567 1.00 64.02 H new ATOM 0 HA ALA A 101 8.193 -11.575 -1.000 1.00 24.13 H new ATOM 0 HB1 ALA A 101 9.933 -11.381 -2.711 1.00 75.14 H new ATOM 0 HB2 ALA A 101 8.733 -10.076 -2.860 1.00 75.14 H new ATOM 0 HB3 ALA A 101 10.325 -9.742 -2.139 1.00 75.14 H new ATOM 1604 N THR A 102 10.838 -10.583 0.654 1.00 15.34 N ATOM 1605 CA THR A 102 11.892 -11.031 1.550 1.00 4.43 C ATOM 1606 C THR A 102 11.322 -11.321 2.940 1.00 51.23 C ATOM 1607 O THR A 102 11.835 -12.178 3.658 1.00 33.25 O ATOM 1608 CB THR A 102 12.992 -9.967 1.554 1.00 53.10 C ATOM 1609 OG1 THR A 102 12.363 -8.820 2.121 1.00 60.21 O ATOM 1610 CG2 THR A 102 13.378 -9.519 0.143 1.00 73.13 C ATOM 0 H THR A 102 10.778 -9.571 0.538 1.00 15.34 H new ATOM 0 HA THR A 102 12.329 -11.970 1.210 1.00 4.43 H new ATOM 0 HB THR A 102 13.872 -10.357 2.065 1.00 53.10 H new ATOM 0 HG1 THR A 102 11.931 -8.300 1.412 1.00 60.21 H new ATOM 0 HG21 THR A 102 14.162 -8.764 0.203 1.00 73.13 H new ATOM 0 HG22 THR A 102 13.742 -10.376 -0.424 1.00 73.13 H new ATOM 0 HG23 THR A 102 12.506 -9.098 -0.356 1.00 73.13 H new ATOM 1618 N ASN A 103 10.269 -10.591 3.277 1.00 70.44 N ATOM 1619 CA ASN A 103 9.624 -10.760 4.569 1.00 11.44 C ATOM 1620 C ASN A 103 9.271 -12.235 4.768 1.00 44.21 C ATOM 1621 O ASN A 103 9.669 -12.843 5.760 1.00 20.15 O ATOM 1622 CB ASN A 103 8.329 -9.949 4.647 1.00 54.20 C ATOM 1623 CG ASN A 103 7.553 -10.277 5.924 1.00 33.53 C ATOM 1624 OD1 ASN A 103 6.525 -10.933 5.904 1.00 4.43 O ATOM 1625 ND2 ASN A 103 8.102 -9.787 7.032 1.00 23.31 N ATOM 0 H ASN A 103 9.846 -9.881 2.679 1.00 70.44 H new ATOM 0 HA ASN A 103 10.313 -10.414 5.339 1.00 11.44 H new ATOM 0 HB2 ASN A 103 8.560 -8.884 4.621 1.00 54.20 H new ATOM 0 HB3 ASN A 103 7.709 -10.162 3.776 1.00 54.20 H new ATOM 0 HD21 ASN A 103 7.660 -9.953 7.936 1.00 23.31 H new ATOM 0 HD22 ASN A 103 8.965 -9.246 6.977 1.00 23.31 H new ATOM 1632 N GLU A 104 8.527 -12.768 3.810 1.00 23.13 N ATOM 1633 CA GLU A 104 8.116 -14.160 3.868 1.00 54.13 C ATOM 1634 C GLU A 104 9.318 -15.057 4.168 1.00 73.12 C ATOM 1635 O GLU A 104 9.848 -15.711 3.272 1.00 31.02 O ATOM 1636 CB GLU A 104 7.427 -14.583 2.568 1.00 64.13 C ATOM 1637 CG GLU A 104 6.146 -13.779 2.340 1.00 74.30 C ATOM 1638 CD GLU A 104 5.259 -13.795 3.586 1.00 30.24 C ATOM 1639 OE1 GLU A 104 5.298 -12.849 4.387 1.00 70.41 O ATOM 1640 OE2 GLU A 104 4.509 -14.837 3.708 1.00 71.21 O1- ATOM 0 H GLU A 104 8.198 -12.260 2.989 1.00 23.13 H new ATOM 0 HA GLU A 104 7.394 -14.272 4.677 1.00 54.13 H new ATOM 0 HB2 GLU A 104 8.106 -14.437 1.728 1.00 64.13 H new ATOM 0 HB3 GLU A 104 7.191 -15.646 2.607 1.00 64.13 H new ATOM 0 HG2 GLU A 104 6.399 -12.750 2.083 1.00 74.30 H new ATOM 0 HG3 GLU A 104 5.598 -14.194 1.494 1.00 74.30 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 20.402 -7.016 -8.397 1.00 34.12 FE HETATM 1650 CHA HEC A 500 22.887 -7.152 -5.994 1.00 70.41 C HETATM 1651 CHB HEC A 500 18.307 -5.493 -6.151 1.00 51.40 C HETATM 1652 CHC HEC A 500 18.394 -6.305 -10.994 1.00 30.32 C HETATM 1653 CHD HEC A 500 22.406 -9.007 -10.455 1.00 22.15 C HETATM 1654 NA HEC A 500 20.594 -6.367 -6.455 1.00 31.22 N HETATM 1655 C1A HEC A 500 21.697 -6.529 -5.690 1.00 70.42 C HETATM 1656 C2A HEC A 500 21.414 -6.018 -4.385 1.00 55.42 C HETATM 1657 C3A HEC A 500 20.118 -5.556 -4.394 1.00 21.02 C HETATM 1658 C4A HEC A 500 19.595 -5.805 -5.719 1.00 11.25 C HETATM 1659 CMA HEC A 500 19.420 -4.865 -3.251 1.00 33.23 C HETATM 1660 CAA HEC A 500 22.336 -6.149 -3.207 1.00 52.15 C HETATM 1661 CBA HEC A 500 21.998 -7.321 -2.282 1.00 50.33 C HETATM 1662 CGA HEC A 500 21.375 -8.454 -3.083 1.00 24.15 C HETATM 1663 O1A HEC A 500 20.355 -8.999 -2.613 1.00 51.15 O HETATM 1664 O2A HEC A 500 21.888 -8.702 -4.196 1.00 64.43 O HETATM 1665 NB HEC A 500 18.626 -6.150 -8.531 1.00 15.25 N HETATM 1666 C1B HEC A 500 17.917 -5.629 -7.488 1.00 55.24 C HETATM 1667 C2B HEC A 500 16.649 -5.201 -8.019 1.00 23.13 C HETATM 1668 C3B HEC A 500 16.728 -5.292 -9.394 1.00 22.40 C HETATM 1669 C4B HEC A 500 17.979 -5.946 -9.705 1.00 23.25 C HETATM 1670 CMB HEC A 500 15.463 -4.760 -7.202 1.00 22.42 C HETATM 1671 CAB HEC A 500 15.689 -4.862 -10.408 1.00 55.14 C HETATM 1672 CBB HEC A 500 14.956 -3.556 -10.086 1.00 1.25 C HETATM 1673 NC HEC A 500 20.378 -7.596 -10.382 1.00 13.44 N HETATM 1674 C1C HEC A 500 19.444 -7.177 -11.254 1.00 70.35 C HETATM 1675 C2C HEC A 500 19.678 -7.857 -12.512 1.00 1.23 C HETATM 1676 C3C HEC A 500 20.724 -8.730 -12.310 1.00 62.35 C HETATM 1677 C4C HEC A 500 21.243 -8.458 -10.987 1.00 2.33 C HETATM 1678 CMC HEC A 500 18.798 -7.797 -13.738 1.00 14.53 C HETATM 1679 CAC HEC A 500 21.194 -9.847 -13.234 1.00 40.04 C HETATM 1680 CBC HEC A 500 21.752 -9.362 -14.578 1.00 35.45 C HETATM 1681 ND HEC A 500 22.296 -7.935 -8.236 1.00 31.33 N HETATM 1682 C1D HEC A 500 22.883 -8.709 -9.185 1.00 44.31 C HETATM 1683 C2D HEC A 500 24.149 -9.162 -8.655 1.00 33.44 C HETATM 1684 C3D HEC A 500 24.298 -8.586 -7.418 1.00 2.54 C HETATM 1685 C4D HEC A 500 23.105 -7.834 -7.159 1.00 41.22 C HETATM 1686 CMD HEC A 500 25.149 -10.063 -9.330 1.00 21.21 C HETATM 1687 CAD HEC A 500 25.541 -8.620 -6.562 1.00 14.14 C HETATM 1688 CBD HEC A 500 26.590 -7.636 -7.074 1.00 13.53 C HETATM 1689 CGD HEC A 500 27.535 -7.185 -5.980 1.00 13.34 C HETATM 1690 O1D HEC A 500 27.211 -7.410 -4.798 1.00 32.14 O HETATM 1691 O2D HEC A 500 28.572 -6.588 -6.327 1.00 31.10 O HETATM 0 HMD3 HEC A 500 24.682 -11.023 -9.552 1.00 21.21 H new HETATM 0 HMD2 HEC A 500 25.487 -9.601 -10.258 1.00 21.21 H new HETATM 0 HMD1 HEC A 500 26.003 -10.218 -8.670 1.00 21.21 H new HETATM 0 HMC3 HEC A 500 17.805 -8.172 -13.491 1.00 14.53 H new HETATM 0 HMC2 HEC A 500 18.722 -6.765 -14.081 1.00 14.53 H new HETATM 0 HMC1 HEC A 500 19.232 -8.411 -14.528 1.00 14.53 H new HETATM 0 HMB3 HEC A 500 15.150 -5.573 -6.547 1.00 22.42 H new HETATM 0 HMB2 HEC A 500 15.738 -3.894 -6.599 1.00 22.42 H new HETATM 0 HMB1 HEC A 500 14.642 -4.493 -7.867 1.00 22.42 H new HETATM 0 HMA3 HEC A 500 19.394 -5.528 -2.386 1.00 33.23 H new HETATM 0 HMA2 HEC A 500 19.959 -3.954 -2.993 1.00 33.23 H new HETATM 0 HMA1 HEC A 500 18.401 -4.613 -3.546 1.00 33.23 H new HETATM 0 HBD2 HEC A 500 27.162 -8.102 -7.876 1.00 13.53 H new HETATM 0 HBD1 HEC A 500 26.091 -6.766 -7.502 1.00 13.53 H new HETATM 0 HBC3 HEC A 500 20.981 -8.809 -15.114 1.00 35.45 H new HETATM 0 HBC2 HEC A 500 22.609 -8.712 -14.403 1.00 35.45 H new HETATM 0 HBC1 HEC A 500 22.063 -10.220 -15.174 1.00 35.45 H new HETATM 0 HBB3 HEC A 500 14.434 -3.657 -9.135 1.00 1.25 H new HETATM 0 HBB2 HEC A 500 15.677 -2.741 -10.020 1.00 1.25 H new HETATM 0 HBB1 HEC A 500 14.235 -3.339 -10.874 1.00 1.25 H new HETATM 0 HBA2 HEC A 500 22.901 -7.672 -1.782 1.00 50.33 H new HETATM 0 HBA1 HEC A 500 21.309 -6.993 -1.504 1.00 50.33 H new HETATM 0 HAD2 HEC A 500 25.283 -8.377 -5.531 1.00 14.14 H new HETATM 0 HAD1 HEC A 500 25.955 -9.628 -6.558 1.00 14.14 H new HETATM 0 HAA2 HEC A 500 23.357 -6.267 -3.569 1.00 52.15 H new HETATM 0 HAA1 HEC A 500 22.307 -5.224 -2.631 1.00 52.15 H new HETATM 0 HHD HEC A 500 22.973 -9.708 -11.068 1.00 22.15 H new HETATM 0 HHC HEC A 500 17.862 -5.875 -11.843 1.00 30.32 H new HETATM 0 HHB HEC A 500 17.580 -5.131 -5.424 1.00 51.40 H new HETATM 0 HHA HEC A 500 23.698 -7.099 -5.268 1.00 70.41 H new HETATM 0 H2A HEC A 500 22.864 -8.726 -4.108 1.00 64.43 H new