USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 877 hydrogens (128 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 17 MLY H2 : A 17 MLY N : A 16 PRO C :(H bumps) USER MOD NoAdj-H: A 34 MLY H2 : A 34 MLY N : A 33 GLY C :(H bumps) USER MOD NoAdj-H: A 35 MLY H2 : A 35 MLY N : A 34 MLY C :(H bumps) USER MOD NoAdj-H: A 44 MLY H2 : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 44 MLY H : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 47 MLY H2 : A 47 MLY N : A 46 PHE C :(H bumps) USER MOD NoAdj-H: A 52 MLY H2 : A 52 MLY N : A 51 GLY C :(H bumps) USER MOD NoAdj-H: A 73 MLY H2 : A 73 MLY N : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 105 MLY H2 : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD NoAdj-H: A 105 MLY H : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD Set 1.1: A 25 HIS : no HD1:sc= -0.431 K(o=0.85,f=-0.44) USER MOD Set 1.2: A 39 SER OG : rot 89:sc= 1.28 USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0.0257 USER MOD Set 2.2: A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 20 GLN :FLIP amide:sc= -0.158 F(o=-4.2!,f=-1.7) USER MOD Set 3.2: A 22 CYS SG : rot 84:sc= -1.52 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc= 0 F(o=-2.6!,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -152:sc= -0.0293 (180deg=-0.458) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0306 USER MOD Single : A 29 MET CE :methyl -160:sc=-0.00743 (180deg=-0.604) USER MOD Single : A 38 SER OG : rot 41:sc= -2.16! USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.242 K(o=-0.24,f=-0.84) USER MOD Single : A 66 MET CE :methyl -176:sc= -2.7! (180deg=-2.71!) USER MOD Single : A 67 SER OG : rot -100:sc= 0.495 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.864 F(o=-1.8,f=-0.86) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -83:sc= 0.934 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.041) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 105:sc= 0.0508 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -10.986 -11.500 -18.450 1.00 23.20 N ATOM 2 CA GLY A -3 -9.555 -11.392 -18.670 1.00 43.12 C ATOM 3 C GLY A -3 -8.757 -11.404 -17.368 1.00 10.33 C ATOM 4 O GLY A -3 -7.981 -12.339 -17.150 1.00 34.23 O ATOM 0 H1 GLY A -3 -11.431 -11.950 -19.275 1.00 23.20 H new ATOM 0 H2 GLY A -3 -11.164 -12.076 -17.603 1.00 23.20 H new ATOM 0 H3 GLY A -3 -11.389 -10.551 -18.314 1.00 23.20 H new ATOM 0 HA2 GLY A -3 -9.225 -12.217 -19.301 1.00 43.12 H new ATOM 0 HA3 GLY A -3 -9.343 -10.471 -19.213 1.00 43.12 H new ATOM 8 N PRO A -2 -8.916 -10.381 -16.468 1.00 43.42 N ATOM 9 CA PRO A -2 -8.183 -10.319 -15.187 1.00 72.12 C ATOM 10 C PRO A -2 -8.730 -11.297 -14.145 1.00 24.33 C ATOM 11 O PRO A -2 -9.944 -11.500 -14.052 1.00 1.42 O ATOM 12 CB PRO A -2 -8.390 -8.869 -14.707 1.00 65.32 C ATOM 13 CG PRO A -2 -9.056 -8.153 -15.838 1.00 23.11 C ATOM 14 CD PRO A -2 -9.793 -9.201 -16.616 1.00 3.14 C ATOM 0 HA PRO A -2 -7.137 -10.594 -15.320 1.00 72.12 H new ATOM 0 HB2 PRO A -2 -9.007 -8.839 -13.809 1.00 65.32 H new ATOM 0 HB3 PRO A -2 -7.438 -8.401 -14.455 1.00 65.32 H new ATOM 0 HG2 PRO A -2 -9.740 -7.390 -15.467 1.00 23.11 H new ATOM 0 HG3 PRO A -2 -8.322 -7.646 -16.465 1.00 23.11 H new ATOM 0 HD2 PRO A -2 -10.789 -9.382 -16.212 1.00 3.14 H new ATOM 0 HD3 PRO A -2 -9.920 -8.917 -17.661 1.00 3.14 H new ATOM 22 N SER A -1 -7.819 -11.893 -13.370 1.00 54.30 N ATOM 23 CA SER A -1 -8.186 -12.854 -12.327 1.00 74.21 C ATOM 24 C SER A -1 -7.989 -12.262 -10.930 1.00 44.31 C ATOM 25 O SER A -1 -8.812 -12.486 -10.037 1.00 24.24 O ATOM 26 CB SER A -1 -7.361 -14.135 -12.474 1.00 35.31 C ATOM 27 OG SER A -1 -7.584 -14.744 -13.734 1.00 34.24 O ATOM 0 H SER A -1 -6.816 -11.725 -13.447 1.00 54.30 H new ATOM 0 HA SER A -1 -9.243 -13.091 -12.448 1.00 74.21 H new ATOM 0 HB2 SER A -1 -6.302 -13.904 -12.361 1.00 35.31 H new ATOM 0 HB3 SER A -1 -7.622 -14.833 -11.678 1.00 35.31 H new ATOM 0 HG SER A -1 -7.044 -15.559 -13.803 1.00 34.24 H new ATOM 33 N MET A 0 -6.895 -11.509 -10.753 1.00 71.24 N ATOM 34 CA MET A 0 -6.577 -10.879 -9.469 1.00 20.33 C ATOM 35 C MET A 0 -7.046 -9.426 -9.438 1.00 73.21 C ATOM 36 O MET A 0 -7.113 -8.765 -10.480 1.00 22.03 O ATOM 37 CB MET A 0 -5.070 -10.946 -9.197 1.00 31.50 C ATOM 38 CG MET A 0 -4.578 -12.323 -8.774 1.00 40.30 C ATOM 39 SD MET A 0 -4.771 -13.563 -10.071 1.00 23.03 S ATOM 40 CE MET A 0 -4.125 -15.016 -9.248 1.00 60.20 C ATOM 0 H MET A 0 -6.213 -11.322 -11.489 1.00 71.24 H new ATOM 0 HA MET A 0 -7.105 -11.428 -8.689 1.00 20.33 H new ATOM 0 HB2 MET A 0 -4.535 -10.641 -10.096 1.00 31.50 H new ATOM 0 HB3 MET A 0 -4.820 -10.227 -8.417 1.00 31.50 H new ATOM 0 HG2 MET A 0 -3.527 -12.258 -8.493 1.00 40.30 H new ATOM 0 HG3 MET A 0 -5.125 -12.643 -7.887 1.00 40.30 H new ATOM 0 HE1 MET A 0 -4.177 -15.870 -9.923 1.00 60.20 H new ATOM 0 HE2 MET A 0 -3.088 -14.841 -8.963 1.00 60.20 H new ATOM 0 HE3 MET A 0 -4.717 -15.222 -8.356 1.00 60.20 H new ATOM 50 N GLY A 1 -7.367 -8.943 -8.232 1.00 60.01 N ATOM 51 CA GLY A 1 -7.831 -7.570 -8.057 1.00 13.55 C ATOM 52 C GLY A 1 -6.717 -6.599 -7.692 1.00 3.14 C ATOM 53 O GLY A 1 -6.897 -5.382 -7.797 1.00 44.31 O ATOM 0 H GLY A 1 -7.313 -9.483 -7.369 1.00 60.01 H new ATOM 0 HA2 GLY A 1 -8.308 -7.235 -8.978 1.00 13.55 H new ATOM 0 HA3 GLY A 1 -8.592 -7.548 -7.277 1.00 13.55 H new ATOM 57 N VAL A 2 -5.572 -7.140 -7.263 1.00 52.34 N ATOM 58 CA VAL A 2 -4.417 -6.327 -6.876 1.00 33.20 C ATOM 59 C VAL A 2 -3.214 -6.623 -7.793 1.00 63.10 C ATOM 60 O VAL A 2 -2.785 -7.774 -7.916 1.00 55.34 O ATOM 61 CB VAL A 2 -4.067 -6.529 -5.357 1.00 71.54 C ATOM 62 CG1 VAL A 2 -3.656 -7.967 -5.025 1.00 32.31 C ATOM 63 CG2 VAL A 2 -2.997 -5.545 -4.887 1.00 64.22 C ATOM 0 H VAL A 2 -5.421 -8.145 -7.175 1.00 52.34 H new ATOM 0 HA VAL A 2 -4.675 -5.276 -7.005 1.00 33.20 H new ATOM 0 HB VAL A 2 -4.988 -6.324 -4.811 1.00 71.54 H new ATOM 0 HG11 VAL A 2 -3.427 -8.044 -3.962 1.00 32.31 H new ATOM 0 HG12 VAL A 2 -4.474 -8.645 -5.270 1.00 32.31 H new ATOM 0 HG13 VAL A 2 -2.775 -8.237 -5.607 1.00 32.31 H new ATOM 0 HG21 VAL A 2 -2.783 -5.717 -3.832 1.00 64.22 H new ATOM 0 HG22 VAL A 2 -2.088 -5.690 -5.470 1.00 64.22 H new ATOM 0 HG23 VAL A 2 -3.356 -4.525 -5.023 1.00 64.22 H new ATOM 73 N GLN A 3 -2.694 -5.569 -8.434 1.00 54.51 N ATOM 74 CA GLN A 3 -1.546 -5.695 -9.339 1.00 12.04 C ATOM 75 C GLN A 3 -0.394 -4.807 -8.873 1.00 65.23 C ATOM 76 O GLN A 3 -0.548 -3.587 -8.760 1.00 65.11 O ATOM 77 CB GLN A 3 -1.932 -5.329 -10.782 1.00 73.14 C ATOM 78 CG GLN A 3 -3.004 -6.226 -11.390 1.00 31.23 C ATOM 79 CD GLN A 3 -4.382 -5.597 -11.332 1.00 1.13 C ATOM 80 OE1 GLN A 3 -5.064 -5.770 -10.207 1.00 52.13 O flip ATOM 81 NE2 GLN A 3 -4.823 -4.951 -12.283 1.00 15.44 N flip ATOM 0 H GLN A 3 -3.051 -4.618 -8.342 1.00 54.51 H new ATOM 0 HA GLN A 3 -1.225 -6.736 -9.320 1.00 12.04 H new ATOM 0 HB2 GLN A 3 -2.284 -4.298 -10.801 1.00 73.14 H new ATOM 0 HB3 GLN A 3 -1.040 -5.373 -11.407 1.00 73.14 H new ATOM 0 HG2 GLN A 3 -2.749 -6.441 -12.428 1.00 31.23 H new ATOM 0 HG3 GLN A 3 -3.020 -7.179 -10.861 1.00 31.23 H new ATOM 0 HE21 GLN A 3 -4.264 -4.843 -13.129 1.00 15.44 H new ATOM 0 HE22 GLN A 3 -5.747 -4.524 -12.224 1.00 15.44 H new ATOM 90 N VAL A 4 0.756 -5.430 -8.603 1.00 15.11 N ATOM 91 CA VAL A 4 1.944 -4.707 -8.146 1.00 21.25 C ATOM 92 C VAL A 4 3.002 -4.680 -9.254 1.00 0.04 C ATOM 93 O VAL A 4 3.332 -5.718 -9.835 1.00 62.43 O ATOM 94 CB VAL A 4 2.540 -5.329 -6.845 1.00 41.33 C ATOM 95 CG1 VAL A 4 3.604 -4.427 -6.227 1.00 50.31 C ATOM 96 CG2 VAL A 4 1.453 -5.626 -5.818 1.00 13.43 C ATOM 0 H VAL A 4 0.889 -6.437 -8.694 1.00 15.11 H new ATOM 0 HA VAL A 4 1.640 -3.687 -7.911 1.00 21.25 H new ATOM 0 HB VAL A 4 3.010 -6.269 -7.135 1.00 41.33 H new ATOM 0 HG11 VAL A 4 3.996 -4.893 -5.323 1.00 50.31 H new ATOM 0 HG12 VAL A 4 4.415 -4.280 -6.940 1.00 50.31 H new ATOM 0 HG13 VAL A 4 3.162 -3.463 -5.976 1.00 50.31 H new ATOM 0 HG21 VAL A 4 1.904 -6.058 -4.925 1.00 13.43 H new ATOM 0 HG22 VAL A 4 0.940 -4.701 -5.554 1.00 13.43 H new ATOM 0 HG23 VAL A 4 0.737 -6.331 -6.240 1.00 13.43 H new ATOM 106 N GLU A 5 3.521 -3.478 -9.529 1.00 43.11 N ATOM 107 CA GLU A 5 4.540 -3.278 -10.567 1.00 1.02 C ATOM 108 C GLU A 5 5.815 -2.718 -9.950 1.00 74.44 C ATOM 109 O GLU A 5 5.789 -1.661 -9.314 1.00 42.12 O ATOM 110 CB GLU A 5 4.047 -2.317 -11.671 1.00 22.54 C ATOM 111 CG GLU A 5 2.533 -2.233 -11.823 1.00 62.44 C ATOM 112 CD GLU A 5 2.110 -1.352 -12.981 1.00 45.30 C ATOM 113 OE1 GLU A 5 1.914 -0.137 -12.763 1.00 72.23 O ATOM 114 OE2 GLU A 5 1.974 -1.875 -14.107 1.00 20.43 O ATOM 0 H GLU A 5 3.250 -2.623 -9.043 1.00 43.11 H new ATOM 0 HA GLU A 5 4.740 -4.249 -11.019 1.00 1.02 H new ATOM 0 HB2 GLU A 5 4.432 -1.319 -11.461 1.00 22.54 H new ATOM 0 HB3 GLU A 5 4.476 -2.631 -12.623 1.00 22.54 H new ATOM 0 HG2 GLU A 5 2.130 -3.235 -11.968 1.00 62.44 H new ATOM 0 HG3 GLU A 5 2.100 -1.846 -10.900 1.00 62.44 H new ATOM 121 N THR A 6 6.933 -3.425 -10.157 1.00 42.11 N ATOM 122 CA THR A 6 8.235 -3.012 -9.622 1.00 74.15 C ATOM 123 C THR A 6 8.840 -1.886 -10.464 1.00 12.12 C ATOM 124 O THR A 6 8.978 -2.010 -11.684 1.00 51.21 O ATOM 125 CB THR A 6 9.219 -4.210 -9.549 1.00 0.24 C ATOM 126 OG1 THR A 6 8.554 -5.353 -8.995 1.00 2.23 O ATOM 127 CG2 THR A 6 10.452 -3.892 -8.700 1.00 50.35 C ATOM 0 H THR A 6 6.961 -4.291 -10.695 1.00 42.11 H new ATOM 0 HA THR A 6 8.070 -2.642 -8.610 1.00 74.15 H new ATOM 0 HB THR A 6 9.551 -4.418 -10.566 1.00 0.24 H new ATOM 0 HG1 THR A 6 9.179 -6.107 -8.953 1.00 2.23 H new ATOM 0 HG21 THR A 6 11.112 -4.759 -8.678 1.00 50.35 H new ATOM 0 HG22 THR A 6 10.982 -3.044 -9.132 1.00 50.35 H new ATOM 0 HG23 THR A 6 10.141 -3.646 -7.685 1.00 50.35 H new ATOM 135 N ILE A 7 9.193 -0.798 -9.781 1.00 11.44 N ATOM 136 CA ILE A 7 9.779 0.379 -10.426 1.00 72.43 C ATOM 137 C ILE A 7 11.263 0.495 -10.068 1.00 45.55 C ATOM 138 O ILE A 7 12.090 0.820 -10.925 1.00 31.04 O ATOM 139 CB ILE A 7 9.036 1.692 -10.034 1.00 21.20 C ATOM 140 CG1 ILE A 7 7.526 1.420 -9.869 1.00 42.50 C ATOM 141 CG2 ILE A 7 9.281 2.778 -11.091 1.00 0.24 C ATOM 142 CD1 ILE A 7 6.760 2.486 -9.099 1.00 14.43 C ATOM 0 H ILE A 7 9.082 -0.706 -8.771 1.00 11.44 H new ATOM 0 HA ILE A 7 9.671 0.246 -11.502 1.00 72.43 H new ATOM 0 HB ILE A 7 9.428 2.048 -9.081 1.00 21.20 H new ATOM 0 HG12 ILE A 7 7.081 1.318 -10.859 1.00 42.50 H new ATOM 0 HG13 ILE A 7 7.398 0.464 -9.361 1.00 42.50 H new ATOM 0 HG21 ILE A 7 8.756 3.689 -10.805 1.00 0.24 H new ATOM 0 HG22 ILE A 7 10.349 2.982 -11.163 1.00 0.24 H new ATOM 0 HG23 ILE A 7 8.911 2.435 -12.057 1.00 0.24 H new ATOM 0 HD11 ILE A 7 5.709 2.205 -9.036 1.00 14.43 H new ATOM 0 HD12 ILE A 7 7.172 2.576 -8.094 1.00 14.43 H new ATOM 0 HD13 ILE A 7 6.850 3.442 -9.614 1.00 14.43 H new ATOM 154 N SER A 8 11.581 0.227 -8.797 1.00 5.12 N ATOM 155 CA SER A 8 12.954 0.290 -8.308 1.00 32.42 C ATOM 156 C SER A 8 13.306 -0.990 -7.542 1.00 21.20 C ATOM 157 O SER A 8 12.668 -1.296 -6.530 1.00 31.34 O ATOM 158 CB SER A 8 13.147 1.513 -7.410 1.00 74.32 C ATOM 159 OG SER A 8 14.521 1.761 -7.166 1.00 64.33 O ATOM 0 H SER A 8 10.898 -0.037 -8.087 1.00 5.12 H new ATOM 0 HA SER A 8 13.621 0.380 -9.165 1.00 32.42 H new ATOM 0 HB2 SER A 8 12.695 2.387 -7.880 1.00 74.32 H new ATOM 0 HB3 SER A 8 12.630 1.357 -6.463 1.00 74.32 H new ATOM 0 HG SER A 8 14.614 2.549 -6.591 1.00 64.33 H new ATOM 165 N PRO A 9 14.327 -1.766 -8.013 1.00 51.01 N ATOM 166 CA PRO A 9 14.742 -3.021 -7.354 1.00 23.32 C ATOM 167 C PRO A 9 15.461 -2.799 -6.015 1.00 51.21 C ATOM 168 O PRO A 9 16.407 -2.007 -5.932 1.00 32.12 O ATOM 169 CB PRO A 9 15.682 -3.662 -8.382 1.00 21.35 C ATOM 170 CG PRO A 9 16.228 -2.523 -9.170 1.00 44.13 C ATOM 171 CD PRO A 9 15.138 -1.496 -9.230 1.00 61.42 C ATOM 0 HA PRO A 9 13.884 -3.639 -7.091 1.00 23.32 H new ATOM 0 HB2 PRO A 9 16.479 -4.221 -7.892 1.00 21.35 H new ATOM 0 HB3 PRO A 9 15.147 -4.364 -9.022 1.00 21.35 H new ATOM 0 HG2 PRO A 9 17.121 -2.115 -8.697 1.00 44.13 H new ATOM 0 HG3 PRO A 9 16.516 -2.844 -10.171 1.00 44.13 H new ATOM 0 HD2 PRO A 9 15.542 -0.484 -9.225 1.00 61.42 H new ATOM 0 HD3 PRO A 9 14.543 -1.597 -10.138 1.00 61.42 H new ATOM 179 N GLY A 10 14.992 -3.504 -4.980 1.00 11.52 N ATOM 180 CA GLY A 10 15.582 -3.396 -3.653 1.00 4.35 C ATOM 181 C GLY A 10 16.566 -4.516 -3.375 1.00 44.33 C ATOM 182 O GLY A 10 17.552 -4.668 -4.103 1.00 23.33 O ATOM 0 H GLY A 10 14.207 -4.153 -5.041 1.00 11.52 H new ATOM 0 HA2 GLY A 10 16.090 -2.436 -3.559 1.00 4.35 H new ATOM 0 HA3 GLY A 10 14.792 -3.413 -2.903 1.00 4.35 H new ATOM 186 N ASP A 11 16.302 -5.302 -2.319 1.00 12.02 N ATOM 187 CA ASP A 11 17.163 -6.431 -1.952 1.00 21.40 C ATOM 188 C ASP A 11 16.806 -7.679 -2.770 1.00 61.45 C ATOM 189 O ASP A 11 17.693 -8.360 -3.292 1.00 53.40 O ATOM 190 CB ASP A 11 17.049 -6.728 -0.453 1.00 15.33 C ATOM 191 CG ASP A 11 17.791 -5.714 0.398 1.00 54.04 C ATOM 192 OD1 ASP A 11 17.124 -4.902 1.072 1.00 2.54 O ATOM 193 OD2 ASP A 11 19.040 -5.734 0.389 1.00 3.25 O ATOM 0 H ASP A 11 15.497 -5.174 -1.705 1.00 12.02 H new ATOM 0 HA ASP A 11 18.194 -6.157 -2.177 1.00 21.40 H new ATOM 0 HB2 ASP A 11 15.997 -6.738 -0.167 1.00 15.33 H new ATOM 0 HB3 ASP A 11 17.443 -7.724 -0.252 1.00 15.33 H new ATOM 198 N GLY A 12 15.497 -7.963 -2.871 1.00 11.03 N ATOM 199 CA GLY A 12 15.015 -9.113 -3.635 1.00 21.20 C ATOM 200 C GLY A 12 15.013 -10.416 -2.845 1.00 63.51 C ATOM 201 O GLY A 12 14.604 -11.457 -3.368 1.00 45.41 O ATOM 0 H GLY A 12 14.760 -7.411 -2.433 1.00 11.03 H new ATOM 0 HA2 GLY A 12 14.003 -8.908 -3.983 1.00 21.20 H new ATOM 0 HA3 GLY A 12 15.638 -9.236 -4.521 1.00 21.20 H new ATOM 205 N ARG A 13 15.470 -10.352 -1.589 1.00 44.41 N ATOM 206 CA ARG A 13 15.536 -11.528 -0.713 1.00 43.15 C ATOM 207 C ARG A 13 15.047 -11.210 0.710 1.00 71.41 C ATOM 208 O ARG A 13 15.043 -12.087 1.582 1.00 75.24 O ATOM 209 CB ARG A 13 16.969 -12.104 -0.683 1.00 13.14 C ATOM 210 CG ARG A 13 18.068 -11.094 -0.363 1.00 22.33 C ATOM 211 CD ARG A 13 19.442 -11.713 -0.534 1.00 60.10 C ATOM 212 NE ARG A 13 19.869 -11.735 -1.939 1.00 42.52 N ATOM 213 CZ ARG A 13 21.084 -12.112 -2.362 1.00 33.40 C ATOM 214 NH1 ARG A 13 22.021 -12.507 -1.502 1.00 20.42 N ATOM 215 NH2 ARG A 13 21.360 -12.093 -3.659 1.00 61.14 N ATOM 0 H ARG A 13 15.802 -9.491 -1.154 1.00 44.41 H new ATOM 0 HA ARG A 13 14.866 -12.282 -1.126 1.00 43.15 H new ATOM 0 HB2 ARG A 13 17.006 -12.904 0.056 1.00 13.14 H new ATOM 0 HB3 ARG A 13 17.183 -12.555 -1.652 1.00 13.14 H new ATOM 0 HG2 ARG A 13 17.972 -10.227 -1.017 1.00 22.33 H new ATOM 0 HG3 ARG A 13 17.951 -10.736 0.660 1.00 22.33 H new ATOM 0 HD2 ARG A 13 20.167 -11.152 0.056 1.00 60.10 H new ATOM 0 HD3 ARG A 13 19.432 -12.730 -0.143 1.00 60.10 H new ATOM 0 HE ARG A 13 19.192 -11.442 -2.644 1.00 42.52 H new ATOM 0 HH11 ARG A 13 21.820 -12.526 -0.502 1.00 20.42 H new ATOM 0 HH12 ARG A 13 22.940 -12.790 -1.843 1.00 20.42 H new ATOM 0 HH21 ARG A 13 20.650 -11.793 -4.327 1.00 61.14 H new ATOM 0 HH22 ARG A 13 22.282 -12.378 -3.988 1.00 61.14 H new ATOM 229 N THR A 14 14.626 -9.958 0.929 1.00 42.14 N ATOM 230 CA THR A 14 14.149 -9.520 2.233 1.00 3.41 C ATOM 231 C THR A 14 12.714 -8.992 2.124 1.00 32.20 C ATOM 232 O THR A 14 12.488 -7.816 1.818 1.00 15.22 O ATOM 233 CB THR A 14 15.084 -8.437 2.829 1.00 43.13 C ATOM 234 OG1 THR A 14 16.453 -8.750 2.535 1.00 71.40 O ATOM 235 CG2 THR A 14 14.916 -8.322 4.340 1.00 52.24 C ATOM 0 H THR A 14 14.609 -9.233 0.212 1.00 42.14 H new ATOM 0 HA THR A 14 14.155 -10.378 2.906 1.00 3.41 H new ATOM 0 HB THR A 14 14.812 -7.485 2.374 1.00 43.13 H new ATOM 0 HG1 THR A 14 17.035 -8.059 2.914 1.00 71.40 H new ATOM 0 HG21 THR A 14 15.587 -7.553 4.723 1.00 52.24 H new ATOM 0 HG22 THR A 14 13.886 -8.053 4.572 1.00 52.24 H new ATOM 0 HG23 THR A 14 15.155 -9.278 4.806 1.00 52.24 H new ATOM 243 N PHE A 15 11.753 -9.887 2.358 1.00 33.20 N ATOM 244 CA PHE A 15 10.334 -9.540 2.296 1.00 11.33 C ATOM 245 C PHE A 15 9.747 -9.386 3.703 1.00 41.44 C ATOM 246 O PHE A 15 10.207 -10.049 4.636 1.00 72.11 O ATOM 247 CB PHE A 15 9.554 -10.608 1.522 1.00 23.11 C ATOM 248 CG PHE A 15 9.956 -10.735 0.077 1.00 12.42 C ATOM 249 CD1 PHE A 15 11.091 -11.447 -0.284 1.00 65.13 C ATOM 250 CD2 PHE A 15 9.199 -10.141 -0.919 1.00 33.25 C ATOM 251 CE1 PHE A 15 11.462 -11.562 -1.608 1.00 21.24 C ATOM 252 CE2 PHE A 15 9.565 -10.253 -2.247 1.00 12.41 C ATOM 253 CZ PHE A 15 10.698 -10.965 -2.592 1.00 50.43 C ATOM 0 H PHE A 15 11.934 -10.863 2.593 1.00 33.20 H new ATOM 0 HA PHE A 15 10.244 -8.587 1.775 1.00 11.33 H new ATOM 0 HB2 PHE A 15 9.693 -11.571 2.013 1.00 23.11 H new ATOM 0 HB3 PHE A 15 8.491 -10.375 1.573 1.00 23.11 H new ATOM 0 HD1 PHE A 15 11.691 -11.917 0.481 1.00 65.13 H new ATOM 0 HD2 PHE A 15 8.312 -9.584 -0.655 1.00 33.25 H new ATOM 0 HE1 PHE A 15 12.349 -12.118 -1.875 1.00 21.24 H new ATOM 0 HE2 PHE A 15 8.966 -9.785 -3.014 1.00 12.41 H new ATOM 0 HZ PHE A 15 10.986 -11.055 -3.629 1.00 50.43 H new ATOM 263 N PRO A 16 8.714 -8.505 3.881 1.00 13.34 N ATOM 264 CA PRO A 16 8.077 -8.284 5.194 1.00 31.25 C ATOM 265 C PRO A 16 7.327 -9.518 5.710 1.00 31.31 C ATOM 266 O PRO A 16 6.476 -10.079 5.012 1.00 15.10 O ATOM 267 CB PRO A 16 7.108 -7.116 4.955 1.00 64.23 C ATOM 268 CG PRO A 16 6.913 -7.028 3.476 1.00 2.14 C ATOM 269 CD PRO A 16 8.119 -7.651 2.827 1.00 35.24 C ATOM 0 HA PRO A 16 8.822 -8.074 5.961 1.00 31.25 H new ATOM 0 HB2 PRO A 16 6.159 -7.288 5.463 1.00 64.23 H new ATOM 0 HB3 PRO A 16 7.516 -6.185 5.349 1.00 64.23 H new ATOM 0 HG2 PRO A 16 6.004 -7.549 3.177 1.00 2.14 H new ATOM 0 HG3 PRO A 16 6.803 -5.989 3.164 1.00 2.14 H new ATOM 0 HD2 PRO A 16 7.839 -8.238 1.953 1.00 35.24 H new ATOM 0 HD3 PRO A 16 8.823 -6.891 2.488 1.00 35.24 H new HETATM 277 N MLY A 17 7.667 -9.925 6.938 1.00 65.54 N HETATM 278 CA MLY A 17 7.061 -11.096 7.583 1.00 1.40 C HETATM 279 CB MLY A 17 8.065 -11.753 8.542 1.00 3.13 C HETATM 280 CG MLY A 17 9.351 -12.217 7.867 1.00 4.51 C HETATM 281 CD MLY A 17 10.239 -13.009 8.820 1.00 62.24 C HETATM 282 CE MLY A 17 11.417 -12.180 9.324 1.00 72.30 C HETATM 283 NZ MLY A 17 12.515 -12.217 8.342 1.00 51.13 N HETATM 284 CH1 MLY A 17 13.697 -12.853 8.946 1.00 21.43 C HETATM 285 CH2 MLY A 17 12.856 -10.847 7.933 1.00 4.23 C HETATM 286 C MLY A 17 5.783 -10.724 8.336 1.00 62.13 C HETATM 287 O MLY A 17 5.586 -9.566 8.715 1.00 41.31 O HETATM 0 HH23 MLY A 17 11.983 -10.374 7.483 1.00 4.23 H new HETATM 0 HH22 MLY A 17 13.170 -10.274 8.806 1.00 4.23 H new HETATM 0 HH21 MLY A 17 13.668 -10.876 7.207 1.00 4.23 H new HETATM 0 HH13 MLY A 17 14.012 -12.281 9.819 1.00 21.43 H new HETATM 0 HH12 MLY A 17 13.448 -13.870 9.249 1.00 21.43 H new HETATM 0 HH11 MLY A 17 14.508 -12.879 8.218 1.00 21.43 H new HETATM 0 HG3 MLY A 17 9.105 -12.834 7.003 1.00 4.51 H new HETATM 0 HG2 MLY A 17 9.899 -11.351 7.495 1.00 4.51 H new HETATM 0 HE3 MLY A 17 11.102 -11.150 9.492 1.00 72.30 H new HETATM 0 HE2 MLY A 17 11.762 -12.568 10.282 1.00 72.30 H new HETATM 0 HD3 MLY A 17 9.646 -13.351 9.669 1.00 62.24 H new HETATM 0 HD2 MLY A 17 10.612 -13.899 8.313 1.00 62.24 H new HETATM 0 HB3 MLY A 17 8.316 -11.044 9.331 1.00 3.13 H new HETATM 0 HB2 MLY A 17 7.589 -12.608 9.021 1.00 3.13 H new HETATM 0 HA MLY A 17 6.794 -11.805 6.800 1.00 1.40 H new HETATM 0 H MLY A 17 8.627 -9.661 7.159 1.00 65.54 H new ATOM 304 N ARG A 18 4.925 -11.732 8.544 1.00 75.42 N ATOM 305 CA ARG A 18 3.645 -11.567 9.236 1.00 34.53 C ATOM 306 C ARG A 18 3.837 -11.482 10.761 1.00 50.25 C ATOM 307 O ARG A 18 4.382 -12.405 11.377 1.00 2.04 O ATOM 308 CB ARG A 18 2.737 -12.747 8.861 1.00 61.11 C ATOM 309 CG ARG A 18 1.249 -12.520 9.108 1.00 12.50 C ATOM 310 CD ARG A 18 0.437 -13.751 8.732 1.00 23.10 C ATOM 311 NE ARG A 18 -1.007 -13.494 8.764 1.00 72.31 N ATOM 312 CZ ARG A 18 -1.939 -14.409 9.070 1.00 24.01 C ATOM 313 NH1 ARG A 18 -1.601 -15.661 9.377 1.00 2.12 N ATOM 314 NH2 ARG A 18 -3.219 -14.065 9.067 1.00 35.44 N ATOM 0 H ARG A 18 5.103 -12.688 8.235 1.00 75.42 H new ATOM 0 HA ARG A 18 3.183 -10.630 8.925 1.00 34.53 H new ATOM 0 HB2 ARG A 18 2.884 -12.978 7.806 1.00 61.11 H new ATOM 0 HB3 ARG A 18 3.054 -13.624 9.426 1.00 61.11 H new ATOM 0 HG2 ARG A 18 1.084 -12.279 10.158 1.00 12.50 H new ATOM 0 HG3 ARG A 18 0.907 -11.664 8.527 1.00 12.50 H new ATOM 0 HD2 ARG A 18 0.723 -14.082 7.734 1.00 23.10 H new ATOM 0 HD3 ARG A 18 0.675 -14.564 9.418 1.00 23.10 H new ATOM 0 HE ARG A 18 -1.325 -12.552 8.537 1.00 72.31 H new ATOM 0 HH11 ARG A 18 -0.619 -15.938 9.382 1.00 2.12 H new ATOM 0 HH12 ARG A 18 -2.324 -16.343 9.607 1.00 2.12 H new ATOM 0 HH21 ARG A 18 -3.490 -13.110 8.833 1.00 35.44 H new ATOM 0 HH22 ARG A 18 -3.933 -14.755 9.299 1.00 35.44 H new ATOM 328 N GLY A 19 3.390 -10.364 11.348 1.00 24.02 N ATOM 329 CA GLY A 19 3.504 -10.165 12.789 1.00 64.12 C ATOM 330 C GLY A 19 4.378 -8.979 13.170 1.00 64.12 C ATOM 331 O GLY A 19 4.221 -8.421 14.260 1.00 0.22 O ATOM 0 H GLY A 19 2.950 -9.592 10.847 1.00 24.02 H new ATOM 0 HA2 GLY A 19 2.508 -10.022 13.208 1.00 64.12 H new ATOM 0 HA3 GLY A 19 3.913 -11.068 13.241 1.00 64.12 H new ATOM 335 N GLN A 20 5.295 -8.596 12.275 1.00 1.30 N ATOM 336 CA GLN A 20 6.207 -7.473 12.517 1.00 31.02 C ATOM 337 C GLN A 20 5.735 -6.216 11.783 1.00 45.43 C ATOM 338 O GLN A 20 4.949 -6.302 10.834 1.00 32.11 O ATOM 339 CB GLN A 20 7.653 -7.832 12.106 1.00 72.14 C ATOM 340 CG GLN A 20 7.772 -8.666 10.831 1.00 0.44 C ATOM 341 CD GLN A 20 8.921 -8.221 9.953 1.00 23.22 C ATOM 342 OE1 GLN A 20 8.643 -7.284 9.057 1.00 53.30 O flip ATOM 343 NE2 GLN A 20 10.043 -8.710 10.079 1.00 33.54 N flip ATOM 0 H GLN A 20 5.425 -9.050 11.371 1.00 1.30 H new ATOM 0 HA GLN A 20 6.201 -7.266 13.587 1.00 31.02 H new ATOM 0 HB2 GLN A 20 8.217 -6.909 11.973 1.00 72.14 H new ATOM 0 HB3 GLN A 20 8.123 -8.377 12.924 1.00 72.14 H new ATOM 0 HG2 GLN A 20 7.907 -9.714 11.098 1.00 0.44 H new ATOM 0 HG3 GLN A 20 6.841 -8.598 10.268 1.00 0.44 H new ATOM 0 HE21 GLN A 20 10.210 -9.429 10.783 1.00 33.54 H new ATOM 0 HE22 GLN A 20 10.806 -8.396 9.480 1.00 33.54 H new ATOM 352 N THR A 21 6.224 -5.049 12.233 1.00 41.53 N ATOM 353 CA THR A 21 5.856 -3.761 11.634 1.00 5.30 C ATOM 354 C THR A 21 6.656 -3.495 10.360 1.00 73.13 C ATOM 355 O THR A 21 7.828 -3.871 10.264 1.00 42.40 O ATOM 356 CB THR A 21 6.073 -2.580 12.610 1.00 62.42 C ATOM 357 OG1 THR A 21 6.233 -3.054 13.954 1.00 0.54 O ATOM 358 CG2 THR A 21 4.900 -1.610 12.554 1.00 71.14 C ATOM 0 H THR A 21 6.877 -4.974 13.013 1.00 41.53 H new ATOM 0 HA THR A 21 4.795 -3.830 11.396 1.00 5.30 H new ATOM 0 HB THR A 21 6.981 -2.061 12.303 1.00 62.42 H new ATOM 0 HG1 THR A 21 6.371 -2.292 14.555 1.00 0.54 H new ATOM 0 HG21 THR A 21 5.074 -0.788 13.248 1.00 71.14 H new ATOM 0 HG22 THR A 21 4.802 -1.216 11.542 1.00 71.14 H new ATOM 0 HG23 THR A 21 3.984 -2.131 12.831 1.00 71.14 H new ATOM 366 N CYS A 22 6.005 -2.845 9.395 1.00 42.51 N ATOM 367 CA CYS A 22 6.628 -2.519 8.119 1.00 32.11 C ATOM 368 C CYS A 22 6.546 -1.020 7.853 1.00 1.42 C ATOM 369 O CYS A 22 5.453 -0.456 7.729 1.00 21.41 O ATOM 370 CB CYS A 22 5.956 -3.299 6.986 1.00 52.32 C ATOM 371 SG CYS A 22 5.865 -5.082 7.273 1.00 70.12 S ATOM 0 H CYS A 22 5.037 -2.533 9.478 1.00 42.51 H new ATOM 0 HA CYS A 22 7.679 -2.804 8.163 1.00 32.11 H new ATOM 0 HB2 CYS A 22 4.947 -2.913 6.842 1.00 52.32 H new ATOM 0 HB3 CYS A 22 6.502 -3.118 6.060 1.00 52.32 H new ATOM 0 HG CYS A 22 4.822 -5.352 8.000 1.00 70.12 H new ATOM 377 N VAL A 23 7.718 -0.384 7.781 1.00 22.12 N ATOM 378 CA VAL A 23 7.815 1.058 7.526 1.00 41.54 C ATOM 379 C VAL A 23 7.899 1.312 6.022 1.00 42.33 C ATOM 380 O VAL A 23 8.900 0.973 5.380 1.00 53.12 O ATOM 381 CB VAL A 23 9.047 1.702 8.231 1.00 23.33 C ATOM 382 CG1 VAL A 23 8.963 3.226 8.215 1.00 63.04 C ATOM 383 CG2 VAL A 23 9.211 1.177 9.655 1.00 4.23 C ATOM 0 H VAL A 23 8.619 -0.847 7.896 1.00 22.12 H new ATOM 0 HA VAL A 23 6.919 1.522 7.938 1.00 41.54 H new ATOM 0 HB VAL A 23 9.933 1.412 7.667 1.00 23.33 H new ATOM 0 HG11 VAL A 23 9.837 3.644 8.714 1.00 63.04 H new ATOM 0 HG12 VAL A 23 8.931 3.578 7.184 1.00 63.04 H new ATOM 0 HG13 VAL A 23 8.060 3.546 8.735 1.00 63.04 H new ATOM 0 HG21 VAL A 23 10.079 1.646 10.118 1.00 4.23 H new ATOM 0 HG22 VAL A 23 8.319 1.413 10.235 1.00 4.23 H new ATOM 0 HG23 VAL A 23 9.353 0.097 9.630 1.00 4.23 H new ATOM 393 N VAL A 24 6.836 1.900 5.470 1.00 14.00 N ATOM 394 CA VAL A 24 6.774 2.197 4.036 1.00 22.54 C ATOM 395 C VAL A 24 6.004 3.490 3.768 1.00 24.45 C ATOM 396 O VAL A 24 5.113 3.864 4.538 1.00 4.04 O ATOM 397 CB VAL A 24 6.140 1.033 3.195 1.00 30.52 C ATOM 398 CG1 VAL A 24 7.007 -0.217 3.233 1.00 13.53 C ATOM 399 CG2 VAL A 24 4.732 0.676 3.658 1.00 42.42 C ATOM 0 H VAL A 24 6.006 2.180 5.993 1.00 14.00 H new ATOM 0 HA VAL A 24 7.809 2.315 3.716 1.00 22.54 H new ATOM 0 HB VAL A 24 6.081 1.405 2.172 1.00 30.52 H new ATOM 0 HG11 VAL A 24 6.538 -1.003 2.641 1.00 13.53 H new ATOM 0 HG12 VAL A 24 7.991 0.010 2.822 1.00 13.53 H new ATOM 0 HG13 VAL A 24 7.114 -0.555 4.264 1.00 13.53 H new ATOM 0 HG21 VAL A 24 4.341 -0.134 3.043 1.00 42.42 H new ATOM 0 HG22 VAL A 24 4.761 0.358 4.700 1.00 42.42 H new ATOM 0 HG23 VAL A 24 4.085 1.548 3.563 1.00 42.42 H new ATOM 409 N HIS A 25 6.362 4.158 2.672 1.00 54.10 N ATOM 410 CA HIS A 25 5.707 5.396 2.261 1.00 74.10 C ATOM 411 C HIS A 25 4.744 5.103 1.113 1.00 33.22 C ATOM 412 O HIS A 25 5.147 4.536 0.092 1.00 41.11 O ATOM 413 CB HIS A 25 6.758 6.424 1.838 1.00 2.24 C ATOM 414 CG HIS A 25 7.074 7.437 2.893 1.00 65.32 C ATOM 415 ND1 HIS A 25 6.166 8.351 3.371 1.00 75.02 N ATOM 416 CD2 HIS A 25 8.231 7.671 3.567 1.00 75.31 C ATOM 417 CE1 HIS A 25 6.782 9.095 4.297 1.00 31.32 C ATOM 418 NE2 HIS A 25 8.036 8.723 4.454 1.00 4.31 N ATOM 0 H HIS A 25 7.110 3.857 2.048 1.00 54.10 H new ATOM 0 HA HIS A 25 5.142 5.808 3.097 1.00 74.10 H new ATOM 0 HB2 HIS A 25 7.674 5.901 1.564 1.00 2.24 H new ATOM 0 HB3 HIS A 25 6.407 6.941 0.945 1.00 2.24 H new ATOM 0 HD2 HIS A 25 9.154 7.126 3.434 1.00 75.31 H new ATOM 0 HE1 HIS A 25 6.311 9.898 4.845 1.00 31.32 H new ATOM 0 HE2 HIS A 25 8.722 9.124 5.094 1.00 4.31 H new ATOM 426 N TYR A 26 3.476 5.492 1.284 1.00 62.35 N ATOM 427 CA TYR A 26 2.451 5.243 0.268 1.00 21.44 C ATOM 428 C TYR A 26 1.891 6.539 -0.331 1.00 74.34 C ATOM 429 O TYR A 26 2.105 7.631 0.204 1.00 64.11 O ATOM 430 CB TYR A 26 1.317 4.377 0.863 1.00 4.12 C ATOM 431 CG TYR A 26 0.429 5.080 1.875 1.00 41.22 C ATOM 432 CD1 TYR A 26 -0.721 5.744 1.464 1.00 24.15 C ATOM 433 CD2 TYR A 26 0.738 5.078 3.228 1.00 5.22 C ATOM 434 CE1 TYR A 26 -1.537 6.387 2.370 1.00 73.10 C ATOM 435 CE2 TYR A 26 -0.079 5.721 4.144 1.00 12.01 C ATOM 436 CZ TYR A 26 -1.214 6.372 3.709 1.00 12.10 C ATOM 437 OH TYR A 26 -2.026 7.012 4.616 1.00 1.22 O ATOM 0 H TYR A 26 3.137 5.979 2.114 1.00 62.35 H new ATOM 0 HA TYR A 26 2.925 4.702 -0.551 1.00 21.44 H new ATOM 0 HB2 TYR A 26 0.693 4.013 0.047 1.00 4.12 H new ATOM 0 HB3 TYR A 26 1.761 3.503 1.339 1.00 4.12 H new ATOM 0 HD1 TYR A 26 -0.980 5.756 0.416 1.00 24.15 H new ATOM 0 HD2 TYR A 26 1.626 4.569 3.571 1.00 5.22 H new ATOM 0 HE1 TYR A 26 -2.425 6.900 2.032 1.00 73.10 H new ATOM 0 HE2 TYR A 26 0.172 5.712 5.194 1.00 12.01 H new ATOM 0 HH TYR A 26 -1.657 6.905 5.518 1.00 1.22 H new ATOM 447 N THR A 27 1.171 6.383 -1.450 1.00 54.44 N ATOM 448 CA THR A 27 0.535 7.495 -2.152 1.00 13.54 C ATOM 449 C THR A 27 -0.756 7.004 -2.819 1.00 42.43 C ATOM 450 O THR A 27 -0.712 6.272 -3.815 1.00 34.01 O ATOM 451 CB THR A 27 1.475 8.120 -3.221 1.00 41.24 C ATOM 452 OG1 THR A 27 2.838 8.063 -2.780 1.00 5.33 O ATOM 453 CG2 THR A 27 1.105 9.572 -3.500 1.00 10.41 C ATOM 0 H THR A 27 1.015 5.477 -1.892 1.00 54.44 H new ATOM 0 HA THR A 27 0.309 8.270 -1.420 1.00 13.54 H new ATOM 0 HB THR A 27 1.358 7.543 -4.138 1.00 41.24 H new ATOM 0 HG1 THR A 27 3.420 8.458 -3.463 1.00 5.33 H new ATOM 0 HG21 THR A 27 1.780 9.982 -4.251 1.00 10.41 H new ATOM 0 HG22 THR A 27 0.080 9.622 -3.867 1.00 10.41 H new ATOM 0 HG23 THR A 27 1.190 10.152 -2.581 1.00 10.41 H new ATOM 461 N GLY A 28 -1.901 7.403 -2.249 1.00 62.24 N ATOM 462 CA GLY A 28 -3.196 6.998 -2.783 1.00 22.33 C ATOM 463 C GLY A 28 -3.756 7.994 -3.783 1.00 23.41 C ATOM 464 O GLY A 28 -3.991 9.158 -3.447 1.00 74.50 O ATOM 0 H GLY A 28 -1.951 8.001 -1.424 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -3.098 6.024 -3.263 1.00 22.33 H new ATOM 0 HA3 GLY A 28 -3.902 6.879 -1.961 1.00 22.33 H new ATOM 468 N MET A 29 -3.965 7.517 -5.013 1.00 72.23 N ATOM 469 CA MET A 29 -4.486 8.337 -6.108 1.00 35.31 C ATOM 470 C MET A 29 -5.581 7.601 -6.860 1.00 35.15 C ATOM 471 O MET A 29 -5.422 6.430 -7.216 1.00 40.34 O ATOM 472 CB MET A 29 -3.353 8.709 -7.070 1.00 63.22 C ATOM 473 CG MET A 29 -2.387 9.750 -6.528 1.00 23.45 C ATOM 474 SD MET A 29 -0.804 9.762 -7.403 1.00 60.11 S ATOM 475 CE MET A 29 -0.037 8.254 -6.796 1.00 24.43 C ATOM 0 H MET A 29 -3.777 6.550 -5.277 1.00 72.23 H new ATOM 0 HA MET A 29 -4.910 9.246 -5.683 1.00 35.31 H new ATOM 0 HB2 MET A 29 -2.794 7.807 -7.320 1.00 63.22 H new ATOM 0 HB3 MET A 29 -3.788 9.082 -7.997 1.00 63.22 H new ATOM 0 HG2 MET A 29 -2.845 10.737 -6.601 1.00 23.45 H new ATOM 0 HG3 MET A 29 -2.210 9.559 -5.470 1.00 23.45 H new ATOM 0 HE1 MET A 29 1.040 8.305 -6.954 1.00 24.43 H new ATOM 0 HE2 MET A 29 -0.243 8.144 -5.731 1.00 24.43 H new ATOM 0 HE3 MET A 29 -0.442 7.397 -7.334 1.00 24.43 H new ATOM 485 N LEU A 30 -6.700 8.306 -7.092 1.00 40.05 N ATOM 486 CA LEU A 30 -7.859 7.764 -7.823 1.00 32.04 C ATOM 487 C LEU A 30 -7.477 7.220 -9.210 1.00 0.41 C ATOM 488 O LEU A 30 -6.346 7.410 -9.669 1.00 4.33 O ATOM 489 CB LEU A 30 -8.925 8.861 -7.979 1.00 20.24 C ATOM 490 CG LEU A 30 -9.909 9.006 -6.813 1.00 42.34 C ATOM 491 CD1 LEU A 30 -10.562 10.379 -6.838 1.00 34.14 C ATOM 492 CD2 LEU A 30 -10.972 7.915 -6.861 1.00 0.13 C ATOM 0 H LEU A 30 -6.828 9.268 -6.778 1.00 40.05 H new ATOM 0 HA LEU A 30 -8.251 6.930 -7.241 1.00 32.04 H new ATOM 0 HB2 LEU A 30 -8.419 9.815 -8.123 1.00 20.24 H new ATOM 0 HB3 LEU A 30 -9.494 8.662 -8.887 1.00 20.24 H new ATOM 0 HG LEU A 30 -9.351 8.900 -5.883 1.00 42.34 H new ATOM 0 HD11 LEU A 30 -11.258 10.466 -6.004 1.00 34.14 H new ATOM 0 HD12 LEU A 30 -9.795 11.148 -6.752 1.00 34.14 H new ATOM 0 HD13 LEU A 30 -11.102 10.508 -7.776 1.00 34.14 H new ATOM 0 HD21 LEU A 30 -11.659 8.039 -6.024 1.00 0.13 H new ATOM 0 HD22 LEU A 30 -11.525 7.987 -7.797 1.00 0.13 H new ATOM 0 HD23 LEU A 30 -10.494 6.938 -6.796 1.00 0.13 H new ATOM 504 N GLU A 31 -8.439 6.546 -9.870 1.00 10.33 N ATOM 505 CA GLU A 31 -8.244 5.970 -11.210 1.00 40.43 C ATOM 506 C GLU A 31 -7.774 7.020 -12.228 1.00 13.34 C ATOM 507 O GLU A 31 -7.094 6.689 -13.204 1.00 3.22 O ATOM 508 CB GLU A 31 -9.550 5.339 -11.689 1.00 23.24 C ATOM 509 CG GLU A 31 -9.347 4.040 -12.440 1.00 62.31 C ATOM 510 CD GLU A 31 -10.651 3.410 -12.888 1.00 4.43 C ATOM 511 OE1 GLU A 31 -11.211 2.597 -12.123 1.00 71.15 O ATOM 512 OE2 GLU A 31 -11.112 3.731 -14.004 1.00 72.00 O ATOM 0 H GLU A 31 -9.371 6.387 -9.488 1.00 10.33 H new ATOM 0 HA GLU A 31 -7.464 5.212 -11.135 1.00 40.43 H new ATOM 0 HB2 GLU A 31 -10.194 5.157 -10.829 1.00 23.24 H new ATOM 0 HB3 GLU A 31 -10.072 6.046 -12.334 1.00 23.24 H new ATOM 0 HG2 GLU A 31 -8.719 4.224 -13.312 1.00 62.31 H new ATOM 0 HG3 GLU A 31 -8.809 3.338 -11.803 1.00 62.31 H new ATOM 519 N ASP A 32 -8.149 8.278 -11.977 1.00 34.23 N ATOM 520 CA ASP A 32 -7.773 9.398 -12.835 1.00 2.24 C ATOM 521 C ASP A 32 -6.438 10.020 -12.404 1.00 23.33 C ATOM 522 O ASP A 32 -5.820 10.750 -13.185 1.00 53.30 O ATOM 523 CB ASP A 32 -8.871 10.462 -12.813 1.00 52.51 C ATOM 524 CG ASP A 32 -10.096 10.052 -13.608 1.00 32.21 C ATOM 525 OD1 ASP A 32 -11.009 9.437 -13.018 1.00 41.21 O ATOM 526 OD2 ASP A 32 -10.143 10.347 -14.821 1.00 44.13 O ATOM 0 H ASP A 32 -8.720 8.545 -11.175 1.00 34.23 H new ATOM 0 HA ASP A 32 -7.652 9.015 -13.848 1.00 2.24 H new ATOM 0 HB2 ASP A 32 -9.161 10.658 -11.781 1.00 52.51 H new ATOM 0 HB3 ASP A 32 -8.476 11.395 -13.216 1.00 52.51 H new ATOM 531 N GLY A 33 -5.998 9.732 -11.164 1.00 51.42 N ATOM 532 CA GLY A 33 -4.733 10.268 -10.677 1.00 4.22 C ATOM 533 C GLY A 33 -4.908 11.374 -9.653 1.00 24.43 C ATOM 534 O GLY A 33 -3.950 12.089 -9.344 1.00 35.01 O ATOM 0 H GLY A 33 -6.497 9.141 -10.499 1.00 51.42 H new ATOM 0 HA2 GLY A 33 -4.150 9.460 -10.234 1.00 4.22 H new ATOM 0 HA3 GLY A 33 -4.159 10.650 -11.521 1.00 4.22 H new HETATM 538 N MLY A 34 -6.131 11.514 -9.127 1.00 33.34 N HETATM 539 CA MLY A 34 -6.439 12.534 -8.126 1.00 10.41 C HETATM 540 CB MLY A 34 -7.891 13.007 -8.273 1.00 31.10 C HETATM 541 CG MLY A 34 -8.111 13.974 -9.436 1.00 32.53 C HETATM 542 CD MLY A 34 -8.049 15.434 -8.993 1.00 45.44 C HETATM 543 CE MLY A 34 -9.442 16.031 -8.832 1.00 24.42 C HETATM 544 NZ MLY A 34 -9.339 17.440 -8.415 1.00 25.53 N HETATM 545 CH1 MLY A 34 -10.006 17.621 -7.116 1.00 63.25 C HETATM 546 CH2 MLY A 34 -9.987 18.300 -9.419 1.00 35.50 C HETATM 547 C MLY A 34 -6.197 11.985 -6.721 1.00 13.44 C HETATM 548 O MLY A 34 -6.920 11.093 -6.259 1.00 42.22 O HETATM 0 HH23 MLY A 34 -9.493 18.170 -10.382 1.00 35.50 H new HETATM 0 HH22 MLY A 34 -11.038 18.025 -9.510 1.00 35.50 H new HETATM 0 HH21 MLY A 34 -9.910 19.342 -9.109 1.00 35.50 H new HETATM 0 HH13 MLY A 34 -11.057 17.346 -7.205 1.00 63.25 H new HETATM 0 HH12 MLY A 34 -9.527 16.987 -6.370 1.00 63.25 H new HETATM 0 HH11 MLY A 34 -9.929 18.664 -6.809 1.00 63.25 H new HETATM 0 HG3 MLY A 34 -7.356 13.796 -10.202 1.00 32.53 H new HETATM 0 HG2 MLY A 34 -9.081 13.776 -9.893 1.00 32.53 H new HETATM 0 HE3 MLY A 34 -9.988 15.960 -9.773 1.00 24.42 H new HETATM 0 HE2 MLY A 34 -10.007 15.464 -8.092 1.00 24.42 H new HETATM 0 HD3 MLY A 34 -7.510 15.506 -8.048 1.00 45.44 H new HETATM 0 HD2 MLY A 34 -7.487 16.013 -9.725 1.00 45.44 H new HETATM 0 HB3 MLY A 34 -8.534 12.138 -8.409 1.00 31.10 H new HETATM 0 HB2 MLY A 34 -8.201 13.491 -7.347 1.00 31.10 H new HETATM 0 HA MLY A 34 -5.780 13.388 -8.285 1.00 10.41 H new HETATM 0 H MLY A 34 -6.846 11.219 -9.792 1.00 33.34 H new HETATM 565 N MLY A 35 -5.159 12.512 -6.054 1.00 11.11 N HETATM 566 CA MLY A 35 -4.794 12.089 -4.703 1.00 61.33 C HETATM 567 CB MLY A 35 -3.570 12.847 -4.219 1.00 75.25 C HETATM 568 CG MLY A 35 -2.605 11.970 -3.461 1.00 53.41 C HETATM 569 CD MLY A 35 -1.603 12.805 -2.682 1.00 45.12 C HETATM 570 CE MLY A 35 -0.325 12.978 -3.470 1.00 62.43 C HETATM 571 NZ MLY A 35 0.619 13.834 -2.729 1.00 22.02 N HETATM 572 CH1 MLY A 35 0.907 15.046 -3.514 1.00 0.41 C HETATM 573 CH2 MLY A 35 1.872 13.103 -2.488 1.00 55.25 C HETATM 574 C MLY A 35 -5.917 12.281 -3.700 1.00 41.14 C HETATM 575 O MLY A 35 -6.722 13.210 -3.812 1.00 10.14 O HETATM 0 HH23 MLY A 35 1.664 12.207 -1.903 1.00 55.25 H new HETATM 0 HH22 MLY A 35 2.317 12.819 -3.442 1.00 55.25 H new HETATM 0 HH21 MLY A 35 2.566 13.741 -1.940 1.00 55.25 H new HETATM 0 HH13 MLY A 35 1.348 14.764 -4.470 1.00 0.41 H new HETATM 0 HH12 MLY A 35 -0.018 15.595 -3.689 1.00 0.41 H new HETATM 0 HH11 MLY A 35 1.605 15.678 -2.965 1.00 0.41 H new HETATM 0 HG3 MLY A 35 -3.156 11.325 -2.776 1.00 53.41 H new HETATM 0 HG2 MLY A 35 -2.077 11.319 -4.157 1.00 53.41 H new HETATM 0 HE3 MLY A 35 0.128 12.005 -3.660 1.00 62.43 H new HETATM 0 HE2 MLY A 35 -0.545 13.422 -4.441 1.00 62.43 H new HETATM 0 HD3 MLY A 35 -2.032 13.781 -2.457 1.00 45.12 H new HETATM 0 HD2 MLY A 35 -1.386 12.325 -1.728 1.00 45.12 H new HETATM 0 HB3 MLY A 35 -3.059 13.288 -5.075 1.00 75.25 H new HETATM 0 HB2 MLY A 35 -3.887 13.670 -3.578 1.00 75.25 H new HETATM 0 HA MLY A 35 -4.580 11.022 -4.768 1.00 61.33 H new HETATM 0 H MLY A 35 -4.609 13.226 -6.531 1.00 11.11 H new ATOM 592 N PHE A 36 -5.946 11.379 -2.725 1.00 13.53 N ATOM 593 CA PHE A 36 -6.940 11.411 -1.669 1.00 33.32 C ATOM 594 C PHE A 36 -6.296 11.226 -0.290 1.00 4.15 C ATOM 595 O PHE A 36 -6.933 11.520 0.725 1.00 61.44 O ATOM 596 CB PHE A 36 -8.047 10.365 -1.921 1.00 44.41 C ATOM 597 CG PHE A 36 -7.582 8.949 -2.172 1.00 74.11 C ATOM 598 CD1 PHE A 36 -7.218 8.124 -1.120 1.00 13.01 C ATOM 599 CD2 PHE A 36 -7.544 8.441 -3.460 1.00 2.42 C ATOM 600 CE1 PHE A 36 -6.825 6.819 -1.348 1.00 1.12 C ATOM 601 CE2 PHE A 36 -7.147 7.139 -3.696 1.00 50.31 C ATOM 602 CZ PHE A 36 -6.790 6.324 -2.639 1.00 32.03 C ATOM 0 H PHE A 36 -5.281 10.609 -2.648 1.00 13.53 H new ATOM 0 HA PHE A 36 -7.406 12.396 -1.679 1.00 33.32 H new ATOM 0 HB2 PHE A 36 -8.715 10.359 -1.060 1.00 44.41 H new ATOM 0 HB3 PHE A 36 -8.636 10.689 -2.779 1.00 44.41 H new ATOM 0 HD1 PHE A 36 -7.242 8.505 -0.110 1.00 13.01 H new ATOM 0 HD2 PHE A 36 -7.828 9.071 -4.290 1.00 2.42 H new ATOM 0 HE1 PHE A 36 -6.545 6.186 -0.519 1.00 1.12 H new ATOM 0 HE2 PHE A 36 -7.116 6.758 -4.706 1.00 50.31 H new ATOM 0 HZ PHE A 36 -6.485 5.304 -2.820 1.00 32.03 H new ATOM 612 N ASP A 37 -5.020 10.753 -0.259 1.00 71.54 N ATOM 613 CA ASP A 37 -4.283 10.530 1.008 1.00 12.22 C ATOM 614 C ASP A 37 -2.905 9.907 0.773 1.00 5.44 C ATOM 615 O ASP A 37 -2.790 8.749 0.353 1.00 15.20 O ATOM 616 CB ASP A 37 -5.064 9.633 1.992 1.00 35.30 C ATOM 617 CG ASP A 37 -5.598 10.407 3.182 1.00 41.23 C ATOM 618 OD1 ASP A 37 -6.817 10.675 3.219 1.00 70.34 O ATOM 619 OD2 ASP A 37 -4.796 10.744 4.079 1.00 70.24 O ATOM 0 H ASP A 37 -4.485 10.521 -1.096 1.00 71.54 H new ATOM 0 HA ASP A 37 -4.162 11.521 1.446 1.00 12.22 H new ATOM 0 HB2 ASP A 37 -5.894 9.160 1.467 1.00 35.30 H new ATOM 0 HB3 ASP A 37 -4.413 8.833 2.345 1.00 35.30 H new ATOM 624 N SER A 38 -1.868 10.704 1.033 1.00 35.14 N ATOM 625 CA SER A 38 -0.477 10.256 0.923 1.00 72.05 C ATOM 626 C SER A 38 0.241 10.448 2.260 1.00 61.33 C ATOM 627 O SER A 38 0.005 11.435 2.963 1.00 53.42 O ATOM 628 CB SER A 38 0.247 11.000 -0.204 1.00 1.53 C ATOM 629 OG SER A 38 1.629 10.678 -0.245 1.00 1.21 O ATOM 0 H SER A 38 -1.967 11.676 1.325 1.00 35.14 H new ATOM 0 HA SER A 38 -0.469 9.194 0.676 1.00 72.05 H new ATOM 0 HB2 SER A 38 -0.213 10.749 -1.160 1.00 1.53 H new ATOM 0 HB3 SER A 38 0.128 12.075 -0.065 1.00 1.53 H new ATOM 0 HG SER A 38 1.746 9.719 -0.083 1.00 1.21 H new ATOM 635 N SER A 39 1.118 9.494 2.596 1.00 34.10 N ATOM 636 CA SER A 39 1.881 9.520 3.857 1.00 3.40 C ATOM 637 C SER A 39 3.075 10.483 3.804 1.00 71.04 C ATOM 638 O SER A 39 3.392 11.140 4.799 1.00 14.42 O ATOM 639 CB SER A 39 2.371 8.112 4.204 1.00 71.12 C ATOM 640 OG SER A 39 3.120 7.552 3.139 1.00 65.25 O ATOM 0 H SER A 39 1.320 8.686 2.008 1.00 34.10 H new ATOM 0 HA SER A 39 1.204 9.882 4.631 1.00 3.40 H new ATOM 0 HB2 SER A 39 2.985 8.150 5.104 1.00 71.12 H new ATOM 0 HB3 SER A 39 1.517 7.472 4.427 1.00 71.12 H new ATOM 0 HG SER A 39 4.063 7.799 3.237 1.00 65.25 H new ATOM 646 N ARG A 40 3.725 10.556 2.634 1.00 52.53 N ATOM 647 CA ARG A 40 4.898 11.425 2.420 1.00 1.22 C ATOM 648 C ARG A 40 4.527 12.917 2.380 1.00 23.13 C ATOM 649 O ARG A 40 5.380 13.774 2.632 1.00 22.12 O ATOM 650 CB ARG A 40 5.650 11.018 1.138 1.00 50.10 C ATOM 651 CG ARG A 40 4.751 10.823 -0.080 1.00 40.44 C ATOM 652 CD ARG A 40 4.840 11.998 -1.044 1.00 34.30 C ATOM 653 NE ARG A 40 6.105 12.012 -1.792 1.00 13.41 N ATOM 654 CZ ARG A 40 6.423 12.907 -2.738 1.00 54.32 C ATOM 655 NH1 ARG A 40 5.580 13.881 -3.076 1.00 24.54 N ATOM 656 NH2 ARG A 40 7.596 12.824 -3.349 1.00 51.01 N ATOM 0 H ARG A 40 3.456 10.018 1.810 1.00 52.53 H new ATOM 0 HA ARG A 40 5.557 11.284 3.277 1.00 1.22 H new ATOM 0 HB2 ARG A 40 6.393 11.782 0.908 1.00 50.10 H new ATOM 0 HB3 ARG A 40 6.193 10.092 1.327 1.00 50.10 H new ATOM 0 HG2 ARG A 40 5.034 9.906 -0.597 1.00 40.44 H new ATOM 0 HG3 ARG A 40 3.719 10.699 0.247 1.00 40.44 H new ATOM 0 HD2 ARG A 40 4.007 11.954 -1.745 1.00 34.30 H new ATOM 0 HD3 ARG A 40 4.739 12.930 -0.488 1.00 34.30 H new ATOM 0 HE ARG A 40 6.791 11.288 -1.576 1.00 13.41 H new ATOM 0 HH11 ARG A 40 4.674 13.955 -2.613 1.00 24.54 H new ATOM 0 HH12 ARG A 40 5.840 14.553 -3.798 1.00 24.54 H new ATOM 0 HH21 ARG A 40 8.250 12.083 -3.099 1.00 51.01 H new ATOM 0 HH22 ARG A 40 7.845 13.502 -4.070 1.00 51.01 H new ATOM 670 N ASP A 41 3.254 13.219 2.060 1.00 23.13 N ATOM 671 CA ASP A 41 2.761 14.609 2.005 1.00 52.45 C ATOM 672 C ASP A 41 2.858 15.276 3.381 1.00 31.20 C ATOM 673 O ASP A 41 3.045 16.492 3.484 1.00 42.45 O ATOM 674 CB ASP A 41 1.311 14.642 1.521 1.00 64.34 C ATOM 675 CG ASP A 41 0.998 15.878 0.698 1.00 34.14 C ATOM 676 OD1 ASP A 41 1.153 15.821 -0.540 1.00 51.32 O ATOM 677 OD2 ASP A 41 0.597 16.901 1.291 1.00 2.32 O ATOM 0 H ASP A 41 2.548 12.518 1.835 1.00 23.13 H new ATOM 0 HA ASP A 41 3.387 15.160 1.302 1.00 52.45 H new ATOM 0 HB2 ASP A 41 1.111 13.752 0.924 1.00 64.34 H new ATOM 0 HB3 ASP A 41 0.644 14.605 2.382 1.00 64.34 H new ATOM 682 N ARG A 42 2.726 14.451 4.426 1.00 55.15 N ATOM 683 CA ARG A 42 2.813 14.908 5.814 1.00 51.54 C ATOM 684 C ARG A 42 4.236 14.707 6.349 1.00 4.45 C ATOM 685 O ARG A 42 4.541 15.069 7.489 1.00 25.12 O ATOM 686 CB ARG A 42 1.808 14.150 6.699 1.00 71.30 C ATOM 687 CG ARG A 42 0.366 14.210 6.200 1.00 51.14 C ATOM 688 CD ARG A 42 -0.636 13.860 7.294 1.00 2.40 C ATOM 689 NE ARG A 42 -0.619 12.429 7.630 1.00 12.24 N ATOM 690 CZ ARG A 42 -1.488 11.828 8.456 1.00 53.41 C ATOM 691 NH1 ARG A 42 -2.461 12.516 9.051 1.00 24.54 N ATOM 692 NH2 ARG A 42 -1.378 10.527 8.687 1.00 13.42 N ATOM 0 H ARG A 42 2.556 13.450 4.332 1.00 55.15 H new ATOM 0 HA ARG A 42 2.569 15.970 5.841 1.00 51.54 H new ATOM 0 HB2 ARG A 42 2.115 13.106 6.766 1.00 71.30 H new ATOM 0 HB3 ARG A 42 1.849 14.559 7.708 1.00 71.30 H new ATOM 0 HG2 ARG A 42 0.155 15.211 5.823 1.00 51.14 H new ATOM 0 HG3 ARG A 42 0.244 13.522 5.364 1.00 51.14 H new ATOM 0 HD2 ARG A 42 -0.413 14.443 8.187 1.00 2.40 H new ATOM 0 HD3 ARG A 42 -1.638 14.143 6.970 1.00 2.40 H new ATOM 0 HE ARG A 42 0.106 11.852 7.204 1.00 12.24 H new ATOM 0 HH11 ARG A 42 -2.555 13.517 8.882 1.00 24.54 H new ATOM 0 HH12 ARG A 42 -3.112 12.041 9.676 1.00 24.54 H new ATOM 0 HH21 ARG A 42 -0.636 9.990 8.238 1.00 13.42 H new ATOM 0 HH22 ARG A 42 -2.035 10.063 9.314 1.00 13.42 H new ATOM 706 N ASN A 43 5.109 14.129 5.488 1.00 54.33 N ATOM 707 CA ASN A 43 6.527 13.841 5.805 1.00 4.33 C ATOM 708 C ASN A 43 6.664 12.770 6.904 1.00 11.11 C ATOM 709 O ASN A 43 7.563 12.839 7.753 1.00 34.31 O ATOM 710 CB ASN A 43 7.292 15.127 6.189 1.00 24.02 C ATOM 711 CG ASN A 43 7.454 16.081 5.020 1.00 72.44 C ATOM 712 OD1 ASN A 43 8.434 16.012 4.278 1.00 40.11 O ATOM 713 ND2 ASN A 43 6.489 16.978 4.850 1.00 53.22 N ATOM 0 H ASN A 43 4.844 13.847 4.544 1.00 54.33 H new ATOM 0 HA ASN A 43 6.979 13.439 4.898 1.00 4.33 H new ATOM 0 HB2 ASN A 43 6.762 15.633 6.996 1.00 24.02 H new ATOM 0 HB3 ASN A 43 8.276 14.859 6.573 1.00 24.02 H new ATOM 0 HD21 ASN A 43 6.543 17.645 4.080 1.00 53.22 H new ATOM 0 HD22 ASN A 43 5.694 16.999 5.489 1.00 53.22 H new HETATM 720 N MLY A 44 5.772 11.763 6.866 1.00 34.54 N HETATM 721 CA MLY A 44 5.793 10.675 7.857 1.00 24.12 C HETATM 722 CB MLY A 44 4.839 10.967 9.023 1.00 25.45 C HETATM 723 CG MLY A 44 5.439 11.854 10.109 1.00 5.24 C HETATM 724 CD MLY A 44 5.012 13.304 9.945 1.00 1.13 C HETATM 725 CE MLY A 44 5.928 14.246 10.713 1.00 34.53 C HETATM 726 NZ MLY A 44 5.295 15.570 10.835 1.00 51.05 N HETATM 727 CH1 MLY A 44 6.149 16.586 10.201 1.00 12.22 C HETATM 728 CH2 MLY A 44 5.118 15.903 12.258 1.00 50.43 C HETATM 729 C MLY A 44 5.431 9.328 7.221 1.00 2.04 C HETATM 730 O MLY A 44 4.375 9.205 6.593 1.00 74.11 O HETATM 0 HH23 MLY A 44 4.484 15.153 12.731 1.00 50.43 H new HETATM 0 HH22 MLY A 44 6.090 15.919 12.751 1.00 50.43 H new HETATM 0 HH21 MLY A 44 4.649 16.883 12.347 1.00 50.43 H new HETATM 0 HH13 MLY A 44 7.121 16.603 10.694 1.00 12.22 H new HETATM 0 HH12 MLY A 44 6.281 16.344 9.146 1.00 12.22 H new HETATM 0 HH11 MLY A 44 5.679 17.565 10.292 1.00 12.22 H new HETATM 0 HG3 MLY A 44 5.129 11.491 11.089 1.00 5.24 H new HETATM 0 HG2 MLY A 44 6.526 11.788 10.074 1.00 5.24 H new HETATM 0 HE3 MLY A 44 6.135 13.839 11.703 1.00 34.53 H new HETATM 0 HE2 MLY A 44 6.885 14.336 10.199 1.00 34.53 H new HETATM 0 HD3 MLY A 44 5.020 13.569 8.888 1.00 1.13 H new HETATM 0 HD2 MLY A 44 3.987 13.425 10.296 1.00 1.13 H new HETATM 0 HB3 MLY A 44 3.941 11.445 8.633 1.00 25.45 H new HETATM 0 HB2 MLY A 44 4.529 10.023 9.470 1.00 25.45 H new HETATM 0 HA MLY A 44 6.812 10.616 8.241 1.00 24.12 H new ATOM 747 N PRO A 45 6.313 8.291 7.371 1.00 62.03 N ATOM 748 CA PRO A 45 6.075 6.946 6.810 1.00 10.31 C ATOM 749 C PRO A 45 4.991 6.169 7.566 1.00 72.54 C ATOM 750 O PRO A 45 4.705 6.464 8.730 1.00 63.34 O ATOM 751 CB PRO A 45 7.434 6.251 6.941 1.00 65.23 C ATOM 752 CG PRO A 45 8.138 6.951 8.055 1.00 52.33 C ATOM 753 CD PRO A 45 7.613 8.362 8.085 1.00 64.14 C ATOM 0 HA PRO A 45 5.710 6.999 5.784 1.00 10.31 H new ATOM 0 HB2 PRO A 45 7.312 5.190 7.160 1.00 65.23 H new ATOM 0 HB3 PRO A 45 8.001 6.322 6.013 1.00 65.23 H new ATOM 0 HG2 PRO A 45 7.952 6.450 9.005 1.00 52.33 H new ATOM 0 HG3 PRO A 45 9.216 6.943 7.896 1.00 52.33 H new ATOM 0 HD2 PRO A 45 7.485 8.716 9.108 1.00 64.14 H new ATOM 0 HD3 PRO A 45 8.299 9.051 7.593 1.00 64.14 H new ATOM 761 N PHE A 46 4.402 5.181 6.888 1.00 52.43 N ATOM 762 CA PHE A 46 3.337 4.366 7.471 1.00 12.42 C ATOM 763 C PHE A 46 3.844 2.993 7.926 1.00 54.51 C ATOM 764 O PHE A 46 4.332 2.194 7.119 1.00 73.33 O ATOM 765 CB PHE A 46 2.198 4.207 6.458 1.00 50.23 C ATOM 766 CG PHE A 46 0.864 3.881 7.079 1.00 55.12 C ATOM 767 CD1 PHE A 46 0.046 4.884 7.580 1.00 52.33 C ATOM 768 CD2 PHE A 46 0.434 2.568 7.164 1.00 4.32 C ATOM 769 CE1 PHE A 46 -1.173 4.579 8.154 1.00 34.13 C ATOM 770 CE2 PHE A 46 -0.784 2.257 7.735 1.00 4.13 C ATOM 771 CZ PHE A 46 -1.589 3.263 8.231 1.00 10.44 C ATOM 0 H PHE A 46 4.647 4.927 5.931 1.00 52.43 H new ATOM 0 HA PHE A 46 2.969 4.881 8.359 1.00 12.42 H new ATOM 0 HB2 PHE A 46 2.104 5.129 5.885 1.00 50.23 H new ATOM 0 HB3 PHE A 46 2.461 3.419 5.753 1.00 50.23 H new ATOM 0 HD1 PHE A 46 0.366 5.914 7.521 1.00 52.33 H new ATOM 0 HD2 PHE A 46 1.059 1.776 6.779 1.00 4.32 H new ATOM 0 HE1 PHE A 46 -1.800 5.368 8.542 1.00 34.13 H new ATOM 0 HE2 PHE A 46 -1.107 1.228 7.794 1.00 4.13 H new ATOM 0 HZ PHE A 46 -2.542 3.022 8.678 1.00 10.44 H new HETATM 781 N MLY A 47 3.725 2.749 9.234 1.00 21.12 N HETATM 782 CA MLY A 47 4.133 1.482 9.851 1.00 63.34 C HETATM 783 CB MLY A 47 4.988 1.751 11.095 1.00 43.31 C HETATM 784 CG MLY A 47 5.938 2.922 10.917 1.00 32.35 C HETATM 785 CD MLY A 47 6.935 3.046 12.043 1.00 72.20 C HETATM 786 CE MLY A 47 8.123 3.865 11.579 1.00 42.23 C HETATM 787 NZ MLY A 47 9.061 4.086 12.693 1.00 35.31 N HETATM 788 CH1 MLY A 47 9.051 5.509 13.073 1.00 43.20 C HETATM 789 CH2 MLY A 47 10.417 3.704 12.275 1.00 74.45 C HETATM 790 C MLY A 47 2.902 0.663 10.230 1.00 63.22 C HETATM 791 O MLY A 47 1.962 1.196 10.826 1.00 51.34 O HETATM 0 HH23 MLY A 47 10.428 2.651 11.995 1.00 74.45 H new HETATM 0 HH22 MLY A 47 10.719 4.310 11.421 1.00 74.45 H new HETATM 0 HH21 MLY A 47 11.111 3.867 13.099 1.00 74.45 H new HETATM 0 HH13 MLY A 47 9.354 6.116 12.219 1.00 43.20 H new HETATM 0 HH12 MLY A 47 8.046 5.796 13.384 1.00 43.20 H new HETATM 0 HH11 MLY A 47 9.746 5.670 13.897 1.00 43.20 H new HETATM 0 HG3 MLY A 47 6.474 2.808 9.975 1.00 32.35 H new HETATM 0 HG2 MLY A 47 5.361 3.844 10.846 1.00 32.35 H new HETATM 0 HE3 MLY A 47 8.631 3.350 10.764 1.00 42.23 H new HETATM 0 HE2 MLY A 47 7.782 4.823 11.187 1.00 42.23 H new HETATM 0 HD3 MLY A 47 6.468 3.520 12.906 1.00 72.20 H new HETATM 0 HD2 MLY A 47 7.264 2.057 12.362 1.00 72.20 H new HETATM 0 HB3 MLY A 47 4.333 1.947 11.944 1.00 43.31 H new HETATM 0 HB2 MLY A 47 5.563 0.857 11.335 1.00 43.31 H new HETATM 0 HA MLY A 47 4.726 0.917 9.132 1.00 63.34 H new HETATM 0 H MLY A 47 4.018 3.635 9.647 1.00 21.12 H new ATOM 808 N PHE A 48 2.915 -0.633 9.882 1.00 63.04 N ATOM 809 CA PHE A 48 1.787 -1.535 10.174 1.00 23.12 C ATOM 810 C PHE A 48 2.253 -2.992 10.334 1.00 45.43 C ATOM 811 O PHE A 48 3.374 -3.336 9.951 1.00 53.22 O ATOM 812 CB PHE A 48 0.719 -1.432 9.056 1.00 60.34 C ATOM 813 CG PHE A 48 1.173 -1.928 7.702 1.00 23.12 C ATOM 814 CD1 PHE A 48 1.937 -1.127 6.866 1.00 65.44 C ATOM 815 CD2 PHE A 48 0.835 -3.202 7.278 1.00 64.54 C ATOM 816 CE1 PHE A 48 2.352 -1.590 5.631 1.00 53.32 C ATOM 817 CE2 PHE A 48 1.246 -3.669 6.047 1.00 73.33 C ATOM 818 CZ PHE A 48 2.006 -2.863 5.222 1.00 3.21 C ATOM 0 H PHE A 48 3.693 -1.081 9.398 1.00 63.04 H new ATOM 0 HA PHE A 48 1.347 -1.223 11.121 1.00 23.12 H new ATOM 0 HB2 PHE A 48 -0.161 -1.999 9.359 1.00 60.34 H new ATOM 0 HB3 PHE A 48 0.410 -0.391 8.962 1.00 60.34 H new ATOM 0 HD1 PHE A 48 2.210 -0.131 7.183 1.00 65.44 H new ATOM 0 HD2 PHE A 48 0.242 -3.838 7.919 1.00 64.54 H new ATOM 0 HE1 PHE A 48 2.945 -0.957 4.987 1.00 53.32 H new ATOM 0 HE2 PHE A 48 0.974 -4.664 5.728 1.00 73.33 H new ATOM 0 HZ PHE A 48 2.329 -3.228 4.258 1.00 3.21 H new ATOM 828 N MET A 49 1.376 -3.835 10.897 1.00 33.23 N ATOM 829 CA MET A 49 1.671 -5.255 11.090 1.00 71.14 C ATOM 830 C MET A 49 0.864 -6.108 10.117 1.00 22.43 C ATOM 831 O MET A 49 -0.332 -5.873 9.921 1.00 41.24 O ATOM 832 CB MET A 49 1.355 -5.692 12.522 1.00 22.35 C ATOM 833 CG MET A 49 2.524 -5.573 13.484 1.00 60.11 C ATOM 834 SD MET A 49 2.882 -3.866 13.933 1.00 51.55 S ATOM 835 CE MET A 49 3.745 -4.105 15.483 1.00 63.41 C ATOM 0 H MET A 49 0.453 -3.553 11.227 1.00 33.23 H new ATOM 0 HA MET A 49 2.735 -5.398 10.902 1.00 71.14 H new ATOM 0 HB2 MET A 49 0.527 -5.091 12.898 1.00 22.35 H new ATOM 0 HB3 MET A 49 1.016 -6.728 12.507 1.00 22.35 H new ATOM 0 HG2 MET A 49 2.306 -6.144 14.387 1.00 60.11 H new ATOM 0 HG3 MET A 49 3.409 -6.019 13.031 1.00 60.11 H new ATOM 0 HE1 MET A 49 4.035 -3.137 15.891 1.00 63.41 H new ATOM 0 HE2 MET A 49 3.090 -4.615 16.189 1.00 63.41 H new ATOM 0 HE3 MET A 49 4.636 -4.709 15.314 1.00 63.41 H new ATOM 845 N LEU A 50 1.533 -7.097 9.514 1.00 22.40 N ATOM 846 CA LEU A 50 0.901 -8.018 8.564 1.00 23.24 C ATOM 847 C LEU A 50 0.133 -9.121 9.282 1.00 71.40 C ATOM 848 O LEU A 50 0.585 -9.637 10.309 1.00 63.44 O ATOM 849 CB LEU A 50 1.966 -8.657 7.654 1.00 74.22 C ATOM 850 CG LEU A 50 2.181 -8.040 6.257 1.00 62.03 C ATOM 851 CD1 LEU A 50 0.879 -7.905 5.485 1.00 23.44 C ATOM 852 CD2 LEU A 50 2.907 -6.705 6.352 1.00 72.11 C ATOM 0 H LEU A 50 2.524 -7.281 9.670 1.00 22.40 H new ATOM 0 HA LEU A 50 0.199 -7.438 7.965 1.00 23.24 H new ATOM 0 HB2 LEU A 50 2.919 -8.629 8.183 1.00 74.22 H new ATOM 0 HB3 LEU A 50 1.706 -9.707 7.520 1.00 74.22 H new ATOM 0 HG LEU A 50 2.813 -8.729 5.697 1.00 62.03 H new ATOM 0 HD11 LEU A 50 1.079 -7.466 4.508 1.00 23.44 H new ATOM 0 HD12 LEU A 50 0.429 -8.889 5.355 1.00 23.44 H new ATOM 0 HD13 LEU A 50 0.193 -7.263 6.038 1.00 23.44 H new ATOM 0 HD21 LEU A 50 3.045 -6.294 5.352 1.00 72.11 H new ATOM 0 HD22 LEU A 50 2.317 -6.012 6.951 1.00 72.11 H new ATOM 0 HD23 LEU A 50 3.880 -6.853 6.821 1.00 72.11 H new ATOM 864 N GLY A 51 -1.031 -9.471 8.724 1.00 35.24 N ATOM 865 CA GLY A 51 -1.870 -10.512 9.302 1.00 71.31 C ATOM 866 C GLY A 51 -2.764 -10.009 10.429 1.00 50.01 C ATOM 867 O GLY A 51 -3.648 -10.736 10.893 1.00 31.34 O ATOM 0 H GLY A 51 -1.408 -9.047 7.876 1.00 35.24 H new ATOM 0 HA2 GLY A 51 -2.493 -10.944 8.519 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -1.235 -11.312 9.681 1.00 71.31 H new HETATM 871 N MLY A 52 -2.528 -8.761 10.866 1.00 22.42 N HETATM 872 CA MLY A 52 -3.316 -8.136 11.937 1.00 50.33 C HETATM 873 CB MLY A 52 -2.496 -7.056 12.663 1.00 33.52 C HETATM 874 CG MLY A 52 -1.384 -7.597 13.561 1.00 64.24 C HETATM 875 CD MLY A 52 -1.935 -8.343 14.774 1.00 72.22 C HETATM 876 CE MLY A 52 -1.291 -7.864 16.067 1.00 30.34 C HETATM 877 NZ MLY A 52 -1.605 -8.801 17.160 1.00 33.24 N HETATM 878 CH1 MLY A 52 -2.331 -8.092 18.225 1.00 11.24 C HETATM 879 CH2 MLY A 52 -0.358 -9.358 17.707 1.00 42.22 C HETATM 880 C MLY A 52 -4.592 -7.514 11.376 1.00 12.24 C HETATM 881 O MLY A 52 -5.525 -7.205 12.121 1.00 14.32 O HETATM 0 HH23 MLY A 52 0.180 -9.887 16.920 1.00 42.22 H new HETATM 0 HH22 MLY A 52 0.264 -8.549 18.091 1.00 42.22 H new HETATM 0 HH21 MLY A 52 -0.593 -10.051 18.515 1.00 42.22 H new HETATM 0 HH13 MLY A 52 -1.712 -7.281 18.610 1.00 11.24 H new HETATM 0 HH12 MLY A 52 -3.257 -7.682 17.823 1.00 11.24 H new HETATM 0 HH11 MLY A 52 -2.562 -8.787 19.032 1.00 11.24 H new HETATM 0 HG3 MLY A 52 -0.746 -8.266 12.984 1.00 64.24 H new HETATM 0 HG2 MLY A 52 -0.757 -6.771 13.898 1.00 64.24 H new HETATM 0 HE3 MLY A 52 -0.211 -7.789 15.940 1.00 30.34 H new HETATM 0 HE2 MLY A 52 -1.653 -6.866 16.316 1.00 30.34 H new HETATM 0 HD3 MLY A 52 -3.014 -8.201 14.830 1.00 72.22 H new HETATM 0 HD2 MLY A 52 -1.760 -9.412 14.654 1.00 72.22 H new HETATM 0 HB3 MLY A 52 -2.054 -6.393 11.919 1.00 33.52 H new HETATM 0 HB2 MLY A 52 -3.171 -6.451 13.268 1.00 33.52 H new HETATM 0 HA MLY A 52 -3.582 -8.917 12.650 1.00 50.33 H new HETATM 0 H MLY A 52 -1.569 -8.458 10.695 1.00 22.42 H new ATOM 898 N GLN A 53 -4.604 -7.332 10.041 1.00 64.22 N ATOM 899 CA GLN A 53 -5.749 -6.759 9.290 1.00 1.55 C ATOM 900 C GLN A 53 -5.959 -5.266 9.604 1.00 54.20 C ATOM 901 O GLN A 53 -7.077 -4.743 9.500 1.00 41.22 O ATOM 902 CB GLN A 53 -7.050 -7.560 9.532 1.00 51.25 C ATOM 903 CG GLN A 53 -6.985 -9.003 9.049 1.00 51.21 C ATOM 904 CD GLN A 53 -8.348 -9.665 9.002 1.00 32.32 C ATOM 905 OE1 GLN A 53 -9.041 -9.614 7.986 1.00 62.40 O ATOM 906 NE2 GLN A 53 -8.740 -10.291 10.106 1.00 1.32 N ATOM 0 H GLN A 53 -3.815 -7.579 9.444 1.00 64.22 H new ATOM 0 HA GLN A 53 -5.497 -6.839 8.232 1.00 1.55 H new ATOM 0 HB2 GLN A 53 -7.276 -7.554 10.598 1.00 51.25 H new ATOM 0 HB3 GLN A 53 -7.875 -7.055 9.029 1.00 51.25 H new ATOM 0 HG2 GLN A 53 -6.538 -9.030 8.055 1.00 51.21 H new ATOM 0 HG3 GLN A 53 -6.331 -9.574 9.708 1.00 51.21 H new ATOM 0 HE21 GLN A 53 -8.133 -10.308 10.925 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -9.648 -10.755 10.134 1.00 1.32 H new ATOM 915 N GLU A 54 -4.862 -4.580 9.964 1.00 41.31 N ATOM 916 CA GLU A 54 -4.892 -3.140 10.275 1.00 72.24 C ATOM 917 C GLU A 54 -5.008 -2.315 8.990 1.00 75.25 C ATOM 918 O GLU A 54 -5.629 -1.248 8.976 1.00 34.30 O ATOM 919 CB GLU A 54 -3.627 -2.724 11.044 1.00 53.34 C ATOM 920 CG GLU A 54 -3.497 -3.339 12.435 1.00 11.31 C ATOM 921 CD GLU A 54 -4.386 -2.668 13.469 1.00 20.35 C ATOM 922 OE1 GLU A 54 -5.542 -3.111 13.635 1.00 44.02 O ATOM 923 OE2 GLU A 54 -3.924 -1.702 14.112 1.00 15.22 O ATOM 0 H GLU A 54 -3.937 -5.002 10.047 1.00 41.31 H new ATOM 0 HA GLU A 54 -5.764 -2.949 10.900 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -2.752 -3.001 10.455 1.00 53.34 H new ATOM 0 HB3 GLU A 54 -3.616 -1.638 11.139 1.00 53.34 H new ATOM 0 HG2 GLU A 54 -3.747 -4.399 12.382 1.00 11.31 H new ATOM 0 HG3 GLU A 54 -2.459 -3.273 12.759 1.00 11.31 H new ATOM 930 N VAL A 55 -4.396 -2.835 7.923 1.00 22.22 N ATOM 931 CA VAL A 55 -4.413 -2.200 6.603 1.00 23.14 C ATOM 932 C VAL A 55 -5.403 -2.929 5.678 1.00 5.11 C ATOM 933 O VAL A 55 -6.114 -3.836 6.122 1.00 74.45 O ATOM 934 CB VAL A 55 -2.986 -2.150 5.964 1.00 71.05 C ATOM 935 CG1 VAL A 55 -2.116 -1.128 6.685 1.00 61.41 C ATOM 936 CG2 VAL A 55 -2.298 -3.519 5.959 1.00 43.13 C ATOM 0 H VAL A 55 -3.873 -3.711 7.950 1.00 22.22 H new ATOM 0 HA VAL A 55 -4.743 -1.169 6.731 1.00 23.14 H new ATOM 0 HB VAL A 55 -3.114 -1.849 4.924 1.00 71.05 H new ATOM 0 HG11 VAL A 55 -1.127 -1.106 6.228 1.00 61.41 H new ATOM 0 HG12 VAL A 55 -2.574 -0.142 6.608 1.00 61.41 H new ATOM 0 HG13 VAL A 55 -2.025 -1.404 7.735 1.00 61.41 H new ATOM 0 HG21 VAL A 55 -1.311 -3.429 5.505 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -2.195 -3.878 6.983 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -2.898 -4.226 5.385 1.00 43.13 H new ATOM 946 N ILE A 56 -5.447 -2.530 4.399 1.00 52.14 N ATOM 947 CA ILE A 56 -6.352 -3.149 3.419 1.00 1.25 C ATOM 948 C ILE A 56 -5.781 -4.462 2.870 1.00 22.44 C ATOM 949 O ILE A 56 -4.569 -4.691 2.926 1.00 40.42 O ATOM 950 CB ILE A 56 -6.713 -2.186 2.250 1.00 14.41 C ATOM 951 CG1 ILE A 56 -5.481 -1.411 1.726 1.00 4.24 C ATOM 952 CG2 ILE A 56 -7.802 -1.223 2.716 1.00 53.42 C ATOM 953 CD1 ILE A 56 -5.686 -0.756 0.368 1.00 34.03 C ATOM 0 H ILE A 56 -4.867 -1.782 4.019 1.00 52.14 H new ATOM 0 HA ILE A 56 -7.273 -3.372 3.958 1.00 1.25 H new ATOM 0 HB ILE A 56 -7.079 -2.783 1.415 1.00 14.41 H new ATOM 0 HG12 ILE A 56 -5.215 -0.642 2.451 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.635 -2.096 1.662 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -8.060 -0.545 1.903 1.00 53.42 H new ATOM 0 HG22 ILE A 56 -8.686 -1.789 3.012 1.00 53.42 H new ATOM 0 HG23 ILE A 56 -7.438 -0.647 3.567 1.00 53.42 H new ATOM 0 HD11 ILE A 56 -4.775 -0.234 0.075 1.00 34.03 H new ATOM 0 HD12 ILE A 56 -5.921 -1.520 -0.373 1.00 34.03 H new ATOM 0 HD13 ILE A 56 -6.509 -0.044 0.428 1.00 34.03 H new ATOM 965 N ARG A 57 -6.673 -5.318 2.341 1.00 73.41 N ATOM 966 CA ARG A 57 -6.293 -6.630 1.787 1.00 3.13 C ATOM 967 C ARG A 57 -5.280 -6.495 0.643 1.00 73.31 C ATOM 968 O ARG A 57 -4.304 -7.250 0.581 1.00 3.15 O ATOM 969 CB ARG A 57 -7.542 -7.375 1.303 1.00 41.00 C ATOM 970 CG ARG A 57 -7.419 -8.888 1.377 1.00 54.31 C ATOM 971 CD ARG A 57 -8.749 -9.566 1.096 1.00 33.13 C ATOM 972 NE ARG A 57 -8.701 -11.007 1.367 1.00 45.05 N ATOM 973 CZ ARG A 57 -9.735 -11.847 1.212 1.00 12.11 C ATOM 974 NH1 ARG A 57 -10.919 -11.412 0.785 1.00 21.43 N ATOM 975 NH2 ARG A 57 -9.578 -13.135 1.487 1.00 4.55 N ATOM 0 H ARG A 57 -7.672 -5.122 2.285 1.00 73.41 H new ATOM 0 HA ARG A 57 -5.815 -7.201 2.583 1.00 3.13 H new ATOM 0 HB2 ARG A 57 -8.397 -7.059 1.901 1.00 41.00 H new ATOM 0 HB3 ARG A 57 -7.750 -7.086 0.273 1.00 41.00 H new ATOM 0 HG2 ARG A 57 -6.675 -9.230 0.657 1.00 54.31 H new ATOM 0 HG3 ARG A 57 -7.063 -9.178 2.366 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -9.526 -9.108 1.708 1.00 33.13 H new ATOM 0 HD3 ARG A 57 -9.026 -9.402 0.055 1.00 33.13 H new ATOM 0 HE ARG A 57 -7.818 -11.398 1.697 1.00 45.05 H new ATOM 0 HH11 ARG A 57 -11.052 -10.424 0.569 1.00 21.43 H new ATOM 0 HH12 ARG A 57 -11.693 -12.067 0.674 1.00 21.43 H new ATOM 0 HH21 ARG A 57 -8.676 -13.480 1.814 1.00 4.55 H new ATOM 0 HH22 ARG A 57 -10.360 -13.780 1.372 1.00 4.55 H new ATOM 989 N GLY A 58 -5.527 -5.529 -0.253 1.00 75.12 N ATOM 990 CA GLY A 58 -4.628 -5.274 -1.379 1.00 3.21 C ATOM 991 C GLY A 58 -3.231 -4.825 -0.951 1.00 15.14 C ATOM 992 O GLY A 58 -2.281 -4.932 -1.733 1.00 21.04 O ATOM 0 H GLY A 58 -6.341 -4.915 -0.217 1.00 75.12 H new ATOM 0 HA2 GLY A 58 -4.542 -6.180 -1.978 1.00 3.21 H new ATOM 0 HA3 GLY A 58 -5.067 -4.509 -2.019 1.00 3.21 H new ATOM 996 N TRP A 59 -3.113 -4.321 0.292 1.00 34.52 N ATOM 997 CA TRP A 59 -1.825 -3.879 0.838 1.00 11.53 C ATOM 998 C TRP A 59 -1.045 -5.052 1.423 1.00 15.11 C ATOM 999 O TRP A 59 0.154 -5.173 1.189 1.00 30.32 O ATOM 1000 CB TRP A 59 -2.013 -2.805 1.920 1.00 30.13 C ATOM 1001 CG TRP A 59 -2.031 -1.381 1.405 1.00 24.41 C ATOM 1002 CD1 TRP A 59 -2.345 -0.950 0.142 1.00 50.03 C ATOM 1003 CD2 TRP A 59 -1.716 -0.197 2.157 1.00 23.30 C ATOM 1004 NE1 TRP A 59 -2.250 0.418 0.069 1.00 12.30 N ATOM 1005 CE2 TRP A 59 -1.867 0.903 1.290 1.00 64.24 C ATOM 1006 CE3 TRP A 59 -1.325 0.042 3.480 1.00 10.45 C ATOM 1007 CZ2 TRP A 59 -1.640 2.213 1.702 1.00 44.24 C ATOM 1008 CZ3 TRP A 59 -1.101 1.343 3.886 1.00 4.50 C ATOM 1009 CH2 TRP A 59 -1.260 2.414 3.000 1.00 20.34 C ATOM 0 H TRP A 59 -3.898 -4.212 0.934 1.00 34.52 H new ATOM 0 HA TRP A 59 -1.260 -3.450 0.011 1.00 11.53 H new ATOM 0 HB2 TRP A 59 -2.948 -2.998 2.445 1.00 30.13 H new ATOM 0 HB3 TRP A 59 -1.211 -2.902 2.651 1.00 30.13 H new ATOM 0 HD1 TRP A 59 -2.627 -1.594 -0.678 1.00 50.03 H new ATOM 0 HE1 TRP A 59 -2.435 0.981 -0.761 1.00 12.30 H new ATOM 0 HE3 TRP A 59 -1.201 -0.778 4.172 1.00 10.45 H new ATOM 0 HZ2 TRP A 59 -1.760 3.042 1.020 1.00 44.24 H new ATOM 0 HZ3 TRP A 59 -0.798 1.537 4.904 1.00 4.50 H new ATOM 0 HH2 TRP A 59 -1.079 3.420 3.348 1.00 20.34 H new ATOM 1020 N GLU A 60 -1.742 -5.922 2.175 1.00 64.02 N ATOM 1021 CA GLU A 60 -1.116 -7.097 2.806 1.00 11.50 C ATOM 1022 C GLU A 60 -0.631 -8.107 1.761 1.00 31.21 C ATOM 1023 O GLU A 60 0.422 -8.728 1.930 1.00 2.33 O ATOM 1024 CB GLU A 60 -2.091 -7.789 3.776 1.00 15.25 C ATOM 1025 CG GLU A 60 -2.583 -6.896 4.902 1.00 64.33 C ATOM 1026 CD GLU A 60 -3.219 -7.679 6.034 1.00 71.32 C ATOM 1027 OE1 GLU A 60 -4.383 -8.105 5.880 1.00 12.21 O ATOM 1028 OE2 GLU A 60 -2.555 -7.863 7.074 1.00 23.02 O ATOM 0 H GLU A 60 -2.741 -5.833 2.361 1.00 64.02 H new ATOM 0 HA GLU A 60 -0.253 -6.735 3.365 1.00 11.50 H new ATOM 0 HB2 GLU A 60 -2.951 -8.152 3.213 1.00 15.25 H new ATOM 0 HB3 GLU A 60 -1.600 -8.662 4.207 1.00 15.25 H new ATOM 0 HG2 GLU A 60 -1.747 -6.316 5.292 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -3.307 -6.184 4.506 1.00 64.33 H new ATOM 1035 N GLU A 61 -1.415 -8.257 0.685 1.00 13.22 N ATOM 1036 CA GLU A 61 -1.084 -9.178 -0.409 1.00 4.04 C ATOM 1037 C GLU A 61 -0.135 -8.534 -1.427 1.00 23.14 C ATOM 1038 O GLU A 61 0.609 -9.239 -2.112 1.00 64.00 O ATOM 1039 CB GLU A 61 -2.363 -9.646 -1.119 1.00 12.20 C ATOM 1040 CG GLU A 61 -3.207 -10.627 -0.310 1.00 33.24 C ATOM 1041 CD GLU A 61 -2.673 -12.049 -0.357 1.00 73.22 C ATOM 1042 OE1 GLU A 61 -1.850 -12.403 0.513 1.00 24.44 O ATOM 1043 OE2 GLU A 61 -3.079 -12.805 -1.264 1.00 21.23 O ATOM 0 H GLU A 61 -2.289 -7.748 0.549 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.576 -10.036 0.031 1.00 4.04 H new ATOM 0 HB2 GLU A 61 -2.971 -8.774 -1.359 1.00 12.20 H new ATOM 0 HB3 GLU A 61 -2.089 -10.114 -2.065 1.00 12.20 H new ATOM 0 HG2 GLU A 61 -3.247 -10.294 0.727 1.00 33.24 H new ATOM 0 HG3 GLU A 61 -4.229 -10.616 -0.688 1.00 33.24 H new ATOM 1050 N GLY A 62 -0.166 -7.193 -1.509 1.00 2.32 N ATOM 1051 CA GLY A 62 0.679 -6.462 -2.451 1.00 34.53 C ATOM 1052 C GLY A 62 2.055 -6.110 -1.900 1.00 41.44 C ATOM 1053 O GLY A 62 3.064 -6.310 -2.583 1.00 71.54 O ATOM 0 H GLY A 62 -0.766 -6.601 -0.935 1.00 2.32 H new ATOM 0 HA2 GLY A 62 0.802 -7.060 -3.354 1.00 34.53 H new ATOM 0 HA3 GLY A 62 0.170 -5.544 -2.744 1.00 34.53 H new ATOM 1057 N VAL A 63 2.096 -5.586 -0.662 1.00 13.21 N ATOM 1058 CA VAL A 63 3.358 -5.191 0.000 1.00 21.10 C ATOM 1059 C VAL A 63 4.285 -6.402 0.231 1.00 62.21 C ATOM 1060 O VAL A 63 5.507 -6.255 0.323 1.00 10.30 O ATOM 1061 CB VAL A 63 3.069 -4.449 1.346 1.00 1.44 C ATOM 1062 CG1 VAL A 63 2.786 -5.413 2.504 1.00 73.30 C ATOM 1063 CG2 VAL A 63 4.208 -3.501 1.700 1.00 1.13 C ATOM 0 H VAL A 63 1.264 -5.424 -0.094 1.00 13.21 H new ATOM 0 HA VAL A 63 3.877 -4.505 -0.669 1.00 21.10 H new ATOM 0 HB VAL A 63 2.162 -3.865 1.192 1.00 1.44 H new ATOM 0 HG11 VAL A 63 2.592 -4.843 3.413 1.00 73.30 H new ATOM 0 HG12 VAL A 63 1.914 -6.023 2.265 1.00 73.30 H new ATOM 0 HG13 VAL A 63 3.650 -6.060 2.658 1.00 73.30 H new ATOM 0 HG21 VAL A 63 3.983 -2.997 2.640 1.00 1.13 H new ATOM 0 HG22 VAL A 63 5.134 -4.067 1.804 1.00 1.13 H new ATOM 0 HG23 VAL A 63 4.323 -2.760 0.909 1.00 1.13 H new ATOM 1073 N ALA A 64 3.669 -7.585 0.320 1.00 31.45 N ATOM 1074 CA ALA A 64 4.387 -8.846 0.534 1.00 31.03 C ATOM 1075 C ALA A 64 5.088 -9.324 -0.745 1.00 33.41 C ATOM 1076 O ALA A 64 5.877 -10.274 -0.714 1.00 20.51 O ATOM 1077 CB ALA A 64 3.418 -9.905 1.034 1.00 31.20 C ATOM 0 H ALA A 64 2.658 -7.696 0.246 1.00 31.45 H new ATOM 0 HA ALA A 64 5.160 -8.675 1.284 1.00 31.03 H new ATOM 0 HB1 ALA A 64 3.953 -10.842 1.193 1.00 31.20 H new ATOM 0 HB2 ALA A 64 2.974 -9.577 1.974 1.00 31.20 H new ATOM 0 HB3 ALA A 64 2.632 -10.057 0.295 1.00 31.20 H new ATOM 1083 N GLN A 65 4.789 -8.647 -1.862 1.00 10.14 N ATOM 1084 CA GLN A 65 5.373 -8.973 -3.168 1.00 4.44 C ATOM 1085 C GLN A 65 6.653 -8.164 -3.421 1.00 1.34 C ATOM 1086 O GLN A 65 7.366 -8.411 -4.399 1.00 54.10 O ATOM 1087 CB GLN A 65 4.355 -8.700 -4.288 1.00 23.01 C ATOM 1088 CG GLN A 65 2.977 -9.312 -4.040 1.00 41.22 C ATOM 1089 CD GLN A 65 1.993 -9.084 -5.178 1.00 21.44 C ATOM 1090 OE1 GLN A 65 2.361 -9.075 -6.356 1.00 10.20 O ATOM 1091 NE2 GLN A 65 0.726 -8.888 -4.826 1.00 4.02 N ATOM 0 H GLN A 65 4.138 -7.862 -1.885 1.00 10.14 H new ATOM 0 HA GLN A 65 5.631 -10.032 -3.165 1.00 4.44 H new ATOM 0 HB2 GLN A 65 4.246 -7.622 -4.410 1.00 23.01 H new ATOM 0 HB3 GLN A 65 4.750 -9.089 -5.226 1.00 23.01 H new ATOM 0 HG2 GLN A 65 3.089 -10.384 -3.878 1.00 41.22 H new ATOM 0 HG3 GLN A 65 2.562 -8.892 -3.123 1.00 41.22 H new ATOM 0 HE21 GLN A 65 0.462 -8.903 -3.841 1.00 4.02 H new ATOM 0 HE22 GLN A 65 0.018 -8.723 -5.541 1.00 4.02 H new ATOM 1100 N MET A 66 6.937 -7.205 -2.527 1.00 51.30 N ATOM 1101 CA MET A 66 8.120 -6.348 -2.642 1.00 45.42 C ATOM 1102 C MET A 66 9.144 -6.676 -1.555 1.00 14.24 C ATOM 1103 O MET A 66 8.791 -7.212 -0.499 1.00 42.21 O ATOM 1104 CB MET A 66 7.750 -4.853 -2.563 1.00 54.20 C ATOM 1105 CG MET A 66 6.263 -4.538 -2.406 1.00 71.10 C ATOM 1106 SD MET A 66 5.840 -2.853 -2.912 1.00 71.25 S ATOM 1107 CE MET A 66 6.967 -1.875 -1.915 1.00 23.31 C ATOM 0 H MET A 66 6.357 -7.005 -1.712 1.00 51.30 H new ATOM 0 HA MET A 66 8.559 -6.546 -3.620 1.00 45.42 H new ATOM 0 HB2 MET A 66 8.285 -4.411 -1.723 1.00 54.20 H new ATOM 0 HB3 MET A 66 8.112 -4.361 -3.466 1.00 54.20 H new ATOM 0 HG2 MET A 66 5.683 -5.246 -2.998 1.00 71.10 H new ATOM 0 HG3 MET A 66 5.975 -4.682 -1.365 1.00 71.10 H new ATOM 0 HE1 MET A 66 6.767 -0.815 -2.073 1.00 23.31 H new ATOM 0 HE2 MET A 66 6.826 -2.118 -0.862 1.00 23.31 H new ATOM 0 HE3 MET A 66 7.994 -2.097 -2.204 1.00 23.31 H new ATOM 1117 N SER A 67 10.410 -6.338 -1.826 1.00 4.44 N ATOM 1118 CA SER A 67 11.511 -6.584 -0.889 1.00 50.24 C ATOM 1119 C SER A 67 12.043 -5.263 -0.327 1.00 5.23 C ATOM 1120 O SER A 67 11.725 -4.196 -0.852 1.00 51.25 O ATOM 1121 CB SER A 67 12.636 -7.355 -1.592 1.00 21.11 C ATOM 1122 OG SER A 67 12.997 -6.731 -2.814 1.00 40.45 O ATOM 0 H SER A 67 10.698 -5.889 -2.695 1.00 4.44 H new ATOM 0 HA SER A 67 11.136 -7.184 -0.060 1.00 50.24 H new ATOM 0 HB2 SER A 67 13.506 -7.411 -0.938 1.00 21.11 H new ATOM 0 HB3 SER A 67 12.315 -8.379 -1.784 1.00 21.11 H new ATOM 0 HG SER A 67 12.573 -7.204 -3.560 1.00 40.45 H new ATOM 1128 N VAL A 68 12.867 -5.345 0.736 1.00 33.02 N ATOM 1129 CA VAL A 68 13.459 -4.159 1.390 1.00 53.10 C ATOM 1130 C VAL A 68 14.244 -3.299 0.382 1.00 12.43 C ATOM 1131 O VAL A 68 15.164 -3.787 -0.281 1.00 21.20 O ATOM 1132 CB VAL A 68 14.380 -4.573 2.580 1.00 34.11 C ATOM 1133 CG1 VAL A 68 15.166 -3.388 3.142 1.00 30.52 C ATOM 1134 CG2 VAL A 68 13.561 -5.217 3.692 1.00 13.21 C ATOM 0 H VAL A 68 13.140 -6.229 1.164 1.00 33.02 H new ATOM 0 HA VAL A 68 12.637 -3.561 1.783 1.00 53.10 H new ATOM 0 HB VAL A 68 15.097 -5.295 2.189 1.00 34.11 H new ATOM 0 HG11 VAL A 68 15.792 -3.726 3.968 1.00 30.52 H new ATOM 0 HG12 VAL A 68 15.795 -2.964 2.359 1.00 30.52 H new ATOM 0 HG13 VAL A 68 14.472 -2.628 3.500 1.00 30.52 H new ATOM 0 HG21 VAL A 68 14.220 -5.499 4.513 1.00 13.21 H new ATOM 0 HG22 VAL A 68 12.816 -4.508 4.052 1.00 13.21 H new ATOM 0 HG23 VAL A 68 13.060 -6.105 3.307 1.00 13.21 H new ATOM 1144 N GLY A 69 13.855 -2.023 0.287 1.00 54.02 N ATOM 1145 CA GLY A 69 14.501 -1.090 -0.629 1.00 71.34 C ATOM 1146 C GLY A 69 13.855 -1.057 -2.008 1.00 5.22 C ATOM 1147 O GLY A 69 14.350 -0.370 -2.907 1.00 23.21 O ATOM 0 H GLY A 69 13.096 -1.617 0.835 1.00 54.02 H new ATOM 0 HA2 GLY A 69 14.472 -0.089 -0.198 1.00 71.34 H new ATOM 0 HA3 GLY A 69 15.551 -1.362 -0.734 1.00 71.34 H new ATOM 1151 N GLN A 70 12.750 -1.800 -2.172 1.00 55.02 N ATOM 1152 CA GLN A 70 12.036 -1.865 -3.448 1.00 4.10 C ATOM 1153 C GLN A 70 10.874 -0.873 -3.485 1.00 65.14 C ATOM 1154 O GLN A 70 10.178 -0.674 -2.485 1.00 64.15 O ATOM 1155 CB GLN A 70 11.515 -3.288 -3.702 1.00 54.10 C ATOM 1156 CG GLN A 70 11.245 -3.592 -5.171 1.00 53.24 C ATOM 1157 CD GLN A 70 10.506 -4.899 -5.380 1.00 75.44 C ATOM 1158 OE1 GLN A 70 9.187 -4.816 -5.513 1.00 62.23 O flip ATOM 1159 NE2 GLN A 70 11.114 -5.968 -5.440 1.00 4.25 N flip ATOM 0 H GLN A 70 12.333 -2.365 -1.432 1.00 55.02 H new ATOM 0 HA GLN A 70 12.741 -1.597 -4.235 1.00 4.10 H new ATOM 0 HB2 GLN A 70 12.242 -4.005 -3.320 1.00 54.10 H new ATOM 0 HB3 GLN A 70 10.595 -3.435 -3.135 1.00 54.10 H new ATOM 0 HG2 GLN A 70 10.662 -2.779 -5.603 1.00 53.24 H new ATOM 0 HG3 GLN A 70 12.192 -3.627 -5.709 1.00 53.24 H new ATOM 0 HE21 GLN A 70 12.128 -5.985 -5.332 1.00 4.25 H new ATOM 0 HE22 GLN A 70 10.604 -6.837 -5.598 1.00 4.25 H new ATOM 1168 N ARG A 71 10.687 -0.263 -4.656 1.00 33.42 N ATOM 1169 CA ARG A 71 9.608 0.696 -4.881 1.00 34.40 C ATOM 1170 C ARG A 71 8.694 0.181 -5.998 1.00 60.34 C ATOM 1171 O ARG A 71 9.086 0.147 -7.170 1.00 3.51 O ATOM 1172 CB ARG A 71 10.190 2.077 -5.233 1.00 73.14 C ATOM 1173 CG ARG A 71 9.232 3.243 -4.997 1.00 14.30 C ATOM 1174 CD ARG A 71 8.959 4.001 -6.285 1.00 71.52 C ATOM 1175 NE ARG A 71 7.975 5.071 -6.097 1.00 3.22 N ATOM 1176 CZ ARG A 71 7.907 6.186 -6.838 1.00 32.00 C ATOM 1177 NH1 ARG A 71 8.763 6.405 -7.835 1.00 54.01 N ATOM 1178 NH2 ARG A 71 6.972 7.090 -6.577 1.00 42.24 N ATOM 0 H ARG A 71 11.278 -0.420 -5.472 1.00 33.42 H new ATOM 0 HA ARG A 71 9.019 0.804 -3.970 1.00 34.40 H new ATOM 0 HB2 ARG A 71 11.092 2.239 -4.643 1.00 73.14 H new ATOM 0 HB3 ARG A 71 10.490 2.075 -6.281 1.00 73.14 H new ATOM 0 HG2 ARG A 71 8.294 2.869 -4.587 1.00 14.30 H new ATOM 0 HG3 ARG A 71 9.656 3.921 -4.256 1.00 14.30 H new ATOM 0 HD2 ARG A 71 9.890 4.427 -6.659 1.00 71.52 H new ATOM 0 HD3 ARG A 71 8.599 3.307 -7.044 1.00 71.52 H new ATOM 0 HE ARG A 71 7.292 4.959 -5.348 1.00 3.22 H new ATOM 0 HH11 ARG A 71 9.487 5.718 -8.046 1.00 54.01 H new ATOM 0 HH12 ARG A 71 8.695 7.260 -8.387 1.00 54.01 H new ATOM 0 HH21 ARG A 71 6.310 6.934 -5.816 1.00 42.24 H new ATOM 0 HH22 ARG A 71 6.915 7.941 -7.137 1.00 42.24 H new ATOM 1192 N ALA A 72 7.480 -0.234 -5.617 1.00 5.10 N ATOM 1193 CA ALA A 72 6.507 -0.769 -6.571 1.00 53.23 C ATOM 1194 C ALA A 72 5.134 -0.111 -6.415 1.00 61.04 C ATOM 1195 O ALA A 72 4.812 0.421 -5.349 1.00 32.53 O ATOM 1196 CB ALA A 72 6.393 -2.280 -6.406 1.00 53.11 C ATOM 0 H ALA A 72 7.150 -0.209 -4.652 1.00 5.10 H new ATOM 0 HA ALA A 72 6.865 -0.541 -7.575 1.00 53.23 H new ATOM 0 HB1 ALA A 72 5.667 -2.670 -7.119 1.00 53.11 H new ATOM 0 HB2 ALA A 72 7.364 -2.740 -6.588 1.00 53.11 H new ATOM 0 HB3 ALA A 72 6.066 -2.512 -5.392 1.00 53.11 H new HETATM 1202 N MLY A 73 4.334 -0.155 -7.492 1.00 72.40 N HETATM 1203 CA MLY A 73 2.991 0.423 -7.495 1.00 10.44 C HETATM 1204 CB MLY A 73 2.780 1.256 -8.763 1.00 42.22 C HETATM 1205 CG MLY A 73 1.983 2.534 -8.535 1.00 32.23 C HETATM 1206 CD MLY A 73 1.798 3.317 -9.830 1.00 43.41 C HETATM 1207 CE MLY A 73 2.767 4.488 -9.922 1.00 12.10 C HETATM 1208 NZ MLY A 73 2.604 5.174 -11.216 1.00 24.53 N HETATM 1209 CH1 MLY A 73 3.871 5.127 -11.963 1.00 62.33 C HETATM 1210 CH2 MLY A 73 2.225 6.577 -10.986 1.00 20.10 C HETATM 1211 C MLY A 73 1.940 -0.679 -7.410 1.00 30.22 C HETATM 1212 O MLY A 73 1.965 -1.629 -8.199 1.00 52.40 O HETATM 0 HH23 MLY A 73 1.285 6.614 -10.435 1.00 20.10 H new HETATM 0 HH22 MLY A 73 3.004 7.074 -10.408 1.00 20.10 H new HETATM 0 HH21 MLY A 73 2.105 7.083 -11.944 1.00 20.10 H new HETATM 0 HH13 MLY A 73 4.652 5.623 -11.386 1.00 62.33 H new HETATM 0 HH12 MLY A 73 4.152 4.088 -12.137 1.00 62.33 H new HETATM 0 HH11 MLY A 73 3.748 5.635 -12.920 1.00 62.33 H new HETATM 0 HG3 MLY A 73 1.008 2.286 -8.116 1.00 32.23 H new HETATM 0 HG2 MLY A 73 2.495 3.157 -7.802 1.00 32.23 H new HETATM 0 HE3 MLY A 73 2.586 5.186 -9.105 1.00 12.10 H new HETATM 0 HE2 MLY A 73 3.792 4.132 -9.816 1.00 12.10 H new HETATM 0 HD3 MLY A 73 1.947 2.653 -10.681 1.00 43.41 H new HETATM 0 HD2 MLY A 73 0.774 3.686 -9.889 1.00 43.41 H new HETATM 0 HB3 MLY A 73 3.752 1.515 -9.182 1.00 42.22 H new HETATM 0 HB2 MLY A 73 2.266 0.646 -9.506 1.00 42.22 H new HETATM 0 HA MLY A 73 2.887 1.072 -6.625 1.00 10.44 H new HETATM 0 H MLY A 73 4.969 0.027 -8.269 1.00 72.40 H new ATOM 1229 N LEU A 74 1.021 -0.547 -6.449 1.00 74.52 N ATOM 1230 CA LEU A 74 -0.038 -1.542 -6.252 1.00 74.33 C ATOM 1231 C LEU A 74 -1.403 -0.978 -6.631 1.00 30.42 C ATOM 1232 O LEU A 74 -1.821 0.067 -6.122 1.00 24.14 O ATOM 1233 CB LEU A 74 -0.082 -2.059 -4.796 1.00 54.31 C ATOM 1234 CG LEU A 74 1.156 -1.789 -3.930 1.00 51.21 C ATOM 1235 CD1 LEU A 74 0.981 -0.488 -3.161 1.00 53.33 C ATOM 1236 CD2 LEU A 74 1.409 -2.951 -2.976 1.00 45.42 C ATOM 0 H LEU A 74 0.989 0.237 -5.797 1.00 74.52 H new ATOM 0 HA LEU A 74 0.198 -2.380 -6.908 1.00 74.33 H new ATOM 0 HB2 LEU A 74 -0.946 -1.613 -4.303 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -0.250 -3.136 -4.822 1.00 54.31 H new ATOM 0 HG LEU A 74 2.025 -1.694 -4.582 1.00 51.21 H new ATOM 0 HD11 LEU A 74 1.865 -0.305 -2.549 1.00 53.33 H new ATOM 0 HD12 LEU A 74 0.849 0.335 -3.863 1.00 53.33 H new ATOM 0 HD13 LEU A 74 0.104 -0.560 -2.518 1.00 53.33 H new ATOM 0 HD21 LEU A 74 2.291 -2.740 -2.371 1.00 45.42 H new ATOM 0 HD22 LEU A 74 0.545 -3.082 -2.325 1.00 45.42 H new ATOM 0 HD23 LEU A 74 1.572 -3.864 -3.549 1.00 45.42 H new ATOM 1248 N THR A 75 -2.083 -1.687 -7.538 1.00 22.43 N ATOM 1249 CA THR A 75 -3.416 -1.311 -8.001 1.00 34.30 C ATOM 1250 C THR A 75 -4.470 -2.038 -7.162 1.00 11.12 C ATOM 1251 O THR A 75 -4.588 -3.267 -7.227 1.00 0.33 O ATOM 1252 CB THR A 75 -3.608 -1.649 -9.505 1.00 53.12 C ATOM 1253 OG1 THR A 75 -2.453 -1.243 -10.249 1.00 4.44 O ATOM 1254 CG2 THR A 75 -4.842 -0.962 -10.085 1.00 22.41 C ATOM 0 H THR A 75 -1.722 -2.537 -7.970 1.00 22.43 H new ATOM 0 HA THR A 75 -3.530 -0.233 -7.884 1.00 34.30 H new ATOM 0 HB THR A 75 -3.746 -2.727 -9.583 1.00 53.12 H new ATOM 0 HG1 THR A 75 -2.581 -1.461 -11.196 1.00 4.44 H new ATOM 0 HG21 THR A 75 -4.942 -1.223 -11.139 1.00 22.41 H new ATOM 0 HG22 THR A 75 -5.729 -1.290 -9.544 1.00 22.41 H new ATOM 0 HG23 THR A 75 -4.737 0.118 -9.987 1.00 22.41 H new ATOM 1262 N ILE A 76 -5.218 -1.268 -6.375 1.00 31.12 N ATOM 1263 CA ILE A 76 -6.250 -1.823 -5.507 1.00 1.42 C ATOM 1264 C ILE A 76 -7.635 -1.566 -6.090 1.00 60.35 C ATOM 1265 O ILE A 76 -7.897 -0.507 -6.665 1.00 13.12 O ATOM 1266 CB ILE A 76 -6.163 -1.246 -4.055 1.00 70.02 C ATOM 1267 CG1 ILE A 76 -4.687 -1.172 -3.554 1.00 70.21 C ATOM 1268 CG2 ILE A 76 -7.040 -2.046 -3.080 1.00 75.11 C ATOM 1269 CD1 ILE A 76 -3.949 -2.503 -3.426 1.00 11.52 C ATOM 0 H ILE A 76 -5.127 -0.253 -6.322 1.00 31.12 H new ATOM 0 HA ILE A 76 -6.080 -2.898 -5.449 1.00 1.42 H new ATOM 0 HB ILE A 76 -6.549 -0.227 -4.089 1.00 70.02 H new ATOM 0 HG12 ILE A 76 -4.126 -0.534 -4.236 1.00 70.21 H new ATOM 0 HG13 ILE A 76 -4.680 -0.682 -2.580 1.00 70.21 H new ATOM 0 HG21 ILE A 76 -6.956 -1.619 -2.081 1.00 75.11 H new ATOM 0 HG22 ILE A 76 -8.079 -2.004 -3.407 1.00 75.11 H new ATOM 0 HG23 ILE A 76 -6.708 -3.084 -3.060 1.00 75.11 H new ATOM 0 HD11 ILE A 76 -2.934 -2.324 -3.070 1.00 11.52 H new ATOM 0 HD12 ILE A 76 -4.474 -3.144 -2.717 1.00 11.52 H new ATOM 0 HD13 ILE A 76 -3.911 -2.993 -4.399 1.00 11.52 H new ATOM 1281 N SER A 77 -8.500 -2.560 -5.928 1.00 11.11 N ATOM 1282 CA SER A 77 -9.875 -2.499 -6.415 1.00 42.11 C ATOM 1283 C SER A 77 -10.851 -2.237 -5.259 1.00 43.15 C ATOM 1284 O SER A 77 -10.490 -2.443 -4.098 1.00 74.23 O ATOM 1285 CB SER A 77 -10.241 -3.807 -7.140 1.00 53.42 C ATOM 1286 OG SER A 77 -9.447 -4.897 -6.696 1.00 32.12 O ATOM 0 H SER A 77 -8.268 -3.433 -5.454 1.00 11.11 H new ATOM 0 HA SER A 77 -9.953 -1.672 -7.121 1.00 42.11 H new ATOM 0 HB2 SER A 77 -11.294 -4.033 -6.973 1.00 53.42 H new ATOM 0 HB3 SER A 77 -10.110 -3.676 -8.214 1.00 53.42 H new ATOM 0 HG SER A 77 -8.594 -4.898 -7.178 1.00 32.12 H new ATOM 1292 N PRO A 78 -12.113 -1.777 -5.549 1.00 14.41 N ATOM 1293 CA PRO A 78 -13.123 -1.497 -4.502 1.00 50.11 C ATOM 1294 C PRO A 78 -13.525 -2.743 -3.696 1.00 62.43 C ATOM 1295 O PRO A 78 -14.136 -2.626 -2.637 1.00 15.12 O ATOM 1296 CB PRO A 78 -14.327 -0.950 -5.285 1.00 32.31 C ATOM 1297 CG PRO A 78 -14.129 -1.410 -6.689 1.00 23.43 C ATOM 1298 CD PRO A 78 -12.648 -1.488 -6.900 1.00 55.53 C ATOM 0 HA PRO A 78 -12.732 -0.804 -3.757 1.00 50.11 H new ATOM 0 HB2 PRO A 78 -15.265 -1.327 -4.877 1.00 32.31 H new ATOM 0 HB3 PRO A 78 -14.370 0.138 -5.230 1.00 32.31 H new ATOM 0 HG2 PRO A 78 -14.596 -2.381 -6.850 1.00 23.43 H new ATOM 0 HG3 PRO A 78 -14.586 -0.716 -7.394 1.00 23.43 H new ATOM 0 HD2 PRO A 78 -12.386 -2.272 -7.610 1.00 55.53 H new ATOM 0 HD3 PRO A 78 -12.251 -0.553 -7.296 1.00 55.53 H new ATOM 1306 N ASP A 79 -13.168 -3.927 -4.214 1.00 12.13 N ATOM 1307 CA ASP A 79 -13.464 -5.202 -3.553 1.00 63.51 C ATOM 1308 C ASP A 79 -12.365 -5.563 -2.547 1.00 41.14 C ATOM 1309 O ASP A 79 -12.620 -6.255 -1.557 1.00 2.04 O ATOM 1310 CB ASP A 79 -13.597 -6.313 -4.596 1.00 74.51 C ATOM 1311 CG ASP A 79 -14.613 -7.369 -4.199 1.00 73.03 C ATOM 1312 OD1 ASP A 79 -15.799 -7.216 -4.558 1.00 41.30 O ATOM 1313 OD2 ASP A 79 -14.221 -8.348 -3.529 1.00 45.33 O ATOM 0 H ASP A 79 -12.669 -4.026 -5.098 1.00 12.13 H new ATOM 0 HA ASP A 79 -14.405 -5.098 -3.014 1.00 63.51 H new ATOM 0 HB2 ASP A 79 -13.887 -5.876 -5.552 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -12.626 -6.786 -4.743 1.00 74.51 H new ATOM 1318 N TYR A 80 -11.147 -5.081 -2.822 1.00 23.22 N ATOM 1319 CA TYR A 80 -9.986 -5.329 -1.958 1.00 53.15 C ATOM 1320 C TYR A 80 -9.696 -4.133 -1.050 1.00 65.53 C ATOM 1321 O TYR A 80 -9.017 -4.277 -0.029 1.00 12.33 O ATOM 1322 CB TYR A 80 -8.744 -5.636 -2.803 1.00 14.24 C ATOM 1323 CG TYR A 80 -8.528 -7.112 -3.078 1.00 54.54 C ATOM 1324 CD1 TYR A 80 -7.437 -7.784 -2.535 1.00 24.12 C ATOM 1325 CD2 TYR A 80 -9.412 -7.836 -3.875 1.00 35.12 C ATOM 1326 CE1 TYR A 80 -7.236 -9.128 -2.778 1.00 2.42 C ATOM 1327 CE2 TYR A 80 -9.215 -9.179 -4.120 1.00 30.14 C ATOM 1328 CZ TYR A 80 -8.127 -9.822 -3.569 1.00 23.34 C ATOM 1329 OH TYR A 80 -7.928 -11.162 -3.812 1.00 73.03 O ATOM 0 H TYR A 80 -10.939 -4.512 -3.643 1.00 23.22 H new ATOM 0 HA TYR A 80 -10.225 -6.189 -1.333 1.00 53.15 H new ATOM 0 HB2 TYR A 80 -8.826 -5.109 -3.754 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -7.865 -5.240 -2.294 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -6.737 -7.246 -1.914 1.00 24.12 H new ATOM 0 HD2 TYR A 80 -10.266 -7.337 -4.308 1.00 35.12 H new ATOM 0 HE1 TYR A 80 -6.383 -9.634 -2.350 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -9.910 -9.725 -4.741 1.00 30.14 H new ATOM 0 HH TYR A 80 -8.646 -11.501 -4.386 1.00 73.03 H new ATOM 1339 N ALA A 81 -10.216 -2.956 -1.430 1.00 54.11 N ATOM 1340 CA ALA A 81 -10.002 -1.723 -0.670 1.00 1.04 C ATOM 1341 C ALA A 81 -10.983 -1.569 0.504 1.00 31.52 C ATOM 1342 O ALA A 81 -10.558 -1.548 1.661 1.00 11.01 O ATOM 1343 CB ALA A 81 -10.080 -0.522 -1.605 1.00 23.45 C ATOM 0 H ALA A 81 -10.790 -2.836 -2.264 1.00 54.11 H new ATOM 0 HA ALA A 81 -9.006 -1.778 -0.230 1.00 1.04 H new ATOM 0 HB1 ALA A 81 -9.920 0.394 -1.035 1.00 23.45 H new ATOM 0 HB2 ALA A 81 -9.313 -0.609 -2.374 1.00 23.45 H new ATOM 0 HB3 ALA A 81 -11.063 -0.490 -2.075 1.00 23.45 H new ATOM 1349 N TYR A 82 -12.288 -1.470 0.210 1.00 35.34 N ATOM 1350 CA TYR A 82 -13.301 -1.296 1.259 1.00 21.22 C ATOM 1351 C TYR A 82 -14.499 -2.223 1.044 1.00 64.31 C ATOM 1352 O TYR A 82 -14.909 -2.937 1.964 1.00 12.00 O ATOM 1353 CB TYR A 82 -13.767 0.170 1.316 1.00 60.11 C ATOM 1354 CG TYR A 82 -12.657 1.161 1.621 1.00 23.55 C ATOM 1355 CD1 TYR A 82 -12.415 1.582 2.922 1.00 60.20 C ATOM 1356 CD2 TYR A 82 -11.854 1.672 0.605 1.00 2.31 C ATOM 1357 CE1 TYR A 82 -11.406 2.485 3.204 1.00 51.12 C ATOM 1358 CE2 TYR A 82 -10.842 2.574 0.880 1.00 74.54 C ATOM 1359 CZ TYR A 82 -10.623 2.977 2.180 1.00 74.23 C ATOM 1360 OH TYR A 82 -9.618 3.875 2.458 1.00 54.35 O ATOM 0 H TYR A 82 -12.664 -1.507 -0.738 1.00 35.34 H new ATOM 0 HA TYR A 82 -12.840 -1.561 2.211 1.00 21.22 H new ATOM 0 HB2 TYR A 82 -14.222 0.433 0.361 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -14.543 0.264 2.076 1.00 60.11 H new ATOM 0 HD1 TYR A 82 -13.025 1.198 3.727 1.00 60.20 H new ATOM 0 HD2 TYR A 82 -12.024 1.359 -0.415 1.00 2.31 H new ATOM 0 HE1 TYR A 82 -11.232 2.804 4.221 1.00 51.12 H new ATOM 0 HE2 TYR A 82 -10.227 2.960 0.081 1.00 74.54 H new ATOM 0 HH TYR A 82 -9.161 4.122 1.627 1.00 54.35 H new ATOM 1370 N GLY A 83 -15.050 -2.202 -0.174 1.00 3.43 N ATOM 1371 CA GLY A 83 -16.197 -3.032 -0.510 1.00 10.01 C ATOM 1372 C GLY A 83 -17.088 -2.377 -1.545 1.00 71.34 C ATOM 1373 O GLY A 83 -16.594 -1.714 -2.462 1.00 23.23 O ATOM 0 H GLY A 83 -14.715 -1.617 -0.940 1.00 3.43 H new ATOM 0 HA2 GLY A 83 -15.850 -3.994 -0.887 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -16.776 -3.233 0.392 1.00 10.01 H new ATOM 1377 N ALA A 84 -18.402 -2.561 -1.394 1.00 25.11 N ATOM 1378 CA ALA A 84 -19.382 -1.980 -2.315 1.00 33.53 C ATOM 1379 C ALA A 84 -19.921 -0.643 -1.795 1.00 20.43 C ATOM 1380 O ALA A 84 -20.597 0.086 -2.528 1.00 51.55 O ATOM 1381 CB ALA A 84 -20.521 -2.959 -2.555 1.00 43.40 C ATOM 0 H ALA A 84 -18.813 -3.110 -0.639 1.00 25.11 H new ATOM 0 HA ALA A 84 -18.878 -1.784 -3.261 1.00 33.53 H new ATOM 0 HB1 ALA A 84 -21.243 -2.516 -3.241 1.00 43.40 H new ATOM 0 HB2 ALA A 84 -20.126 -3.878 -2.988 1.00 43.40 H new ATOM 0 HB3 ALA A 84 -21.012 -3.186 -1.608 1.00 43.40 H new ATOM 1387 N THR A 85 -19.610 -0.331 -0.530 1.00 42.23 N ATOM 1388 CA THR A 85 -20.050 0.913 0.100 1.00 52.23 C ATOM 1389 C THR A 85 -18.918 1.951 0.082 1.00 53.03 C ATOM 1390 O THR A 85 -19.071 3.029 -0.501 1.00 62.14 O ATOM 1391 CB THR A 85 -20.528 0.666 1.559 1.00 63.55 C ATOM 1392 OG1 THR A 85 -21.283 -0.550 1.629 1.00 4.10 O ATOM 1393 CG2 THR A 85 -21.391 1.816 2.072 1.00 23.54 C ATOM 0 H THR A 85 -19.051 -0.930 0.078 1.00 42.23 H new ATOM 0 HA THR A 85 -20.894 1.299 -0.472 1.00 52.23 H new ATOM 0 HB THR A 85 -19.639 0.594 2.186 1.00 63.55 H new ATOM 0 HG1 THR A 85 -21.579 -0.699 2.551 1.00 4.10 H new ATOM 0 HG21 THR A 85 -21.706 1.607 3.094 1.00 23.54 H new ATOM 0 HG22 THR A 85 -20.814 2.741 2.052 1.00 23.54 H new ATOM 0 HG23 THR A 85 -22.270 1.923 1.436 1.00 23.54 H new ATOM 1401 N GLY A 86 -17.786 1.613 0.727 1.00 73.04 N ATOM 1402 CA GLY A 86 -16.633 2.512 0.784 1.00 62.01 C ATOM 1403 C GLY A 86 -16.856 3.719 1.684 1.00 41.14 C ATOM 1404 O GLY A 86 -17.805 3.743 2.473 1.00 62.55 O ATOM 0 H GLY A 86 -17.652 0.726 1.212 1.00 73.04 H new ATOM 0 HA2 GLY A 86 -15.765 1.957 1.140 1.00 62.01 H new ATOM 0 HA3 GLY A 86 -16.399 2.857 -0.223 1.00 62.01 H new ATOM 1408 N HIS A 87 -15.974 4.716 1.557 1.00 12.34 N ATOM 1409 CA HIS A 87 -16.068 5.945 2.344 1.00 52.22 C ATOM 1410 C HIS A 87 -16.763 7.043 1.518 1.00 53.50 C ATOM 1411 O HIS A 87 -16.319 7.341 0.406 1.00 4.31 O ATOM 1412 CB HIS A 87 -14.670 6.408 2.783 1.00 33.04 C ATOM 1413 CG HIS A 87 -14.672 7.286 4.001 1.00 43.33 C ATOM 1414 ND1 HIS A 87 -14.238 6.877 5.242 1.00 62.14 N ATOM 1415 CD2 HIS A 87 -15.062 8.580 4.149 1.00 34.33 C ATOM 1416 CE1 HIS A 87 -14.374 7.909 6.086 1.00 71.03 C ATOM 1417 NE2 HIS A 87 -14.869 8.966 5.472 1.00 2.31 N ATOM 0 H HIS A 87 -15.184 4.693 0.912 1.00 12.34 H new ATOM 0 HA HIS A 87 -16.660 5.748 3.238 1.00 52.22 H new ATOM 0 HB2 HIS A 87 -14.054 5.531 2.981 1.00 33.04 H new ATOM 0 HB3 HIS A 87 -14.202 6.947 1.960 1.00 33.04 H new ATOM 0 HD2 HIS A 87 -15.458 9.208 3.365 1.00 34.33 H new ATOM 0 HE1 HIS A 87 -14.112 7.879 7.133 1.00 71.03 H new ATOM 0 HE2 HIS A 87 -15.069 9.878 5.882 1.00 2.31 H new ATOM 1425 N PRO A 88 -17.859 7.673 2.044 1.00 43.33 N ATOM 1426 CA PRO A 88 -18.596 8.720 1.308 1.00 44.10 C ATOM 1427 C PRO A 88 -17.816 10.035 1.163 1.00 24.12 C ATOM 1428 O PRO A 88 -17.377 10.622 2.159 1.00 52.53 O ATOM 1429 CB PRO A 88 -19.865 8.928 2.147 1.00 3.31 C ATOM 1430 CG PRO A 88 -19.506 8.492 3.527 1.00 11.32 C ATOM 1431 CD PRO A 88 -18.466 7.414 3.378 1.00 31.53 C ATOM 0 HA PRO A 88 -18.791 8.414 0.280 1.00 44.10 H new ATOM 0 HB2 PRO A 88 -20.177 9.972 2.134 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -20.696 8.342 1.754 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -19.118 9.328 4.109 1.00 11.32 H new ATOM 0 HG3 PRO A 88 -20.382 8.115 4.055 1.00 11.32 H new ATOM 0 HD2 PRO A 88 -17.721 7.467 4.172 1.00 31.53 H new ATOM 0 HD3 PRO A 88 -18.912 6.421 3.426 1.00 31.53 H new ATOM 1439 N GLY A 89 -17.646 10.471 -0.090 1.00 63.23 N ATOM 1440 CA GLY A 89 -16.936 11.710 -0.371 1.00 34.40 C ATOM 1441 C GLY A 89 -15.544 11.494 -0.938 1.00 12.22 C ATOM 1442 O GLY A 89 -15.163 12.153 -1.911 1.00 23.13 O ATOM 0 H GLY A 89 -17.990 9.983 -0.917 1.00 63.23 H new ATOM 0 HA2 GLY A 89 -17.519 12.302 -1.076 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -16.860 12.292 0.547 1.00 34.40 H new ATOM 1446 N ILE A 90 -14.786 10.573 -0.332 1.00 11.03 N ATOM 1447 CA ILE A 90 -13.414 10.286 -0.769 1.00 12.54 C ATOM 1448 C ILE A 90 -13.354 9.026 -1.647 1.00 61.23 C ATOM 1449 O ILE A 90 -12.802 9.066 -2.751 1.00 42.54 O ATOM 1450 CB ILE A 90 -12.436 10.130 0.436 1.00 64.12 C ATOM 1451 CG1 ILE A 90 -12.693 11.216 1.494 1.00 73.33 C ATOM 1452 CG2 ILE A 90 -10.980 10.199 -0.040 1.00 3.31 C ATOM 1453 CD1 ILE A 90 -12.373 10.781 2.909 1.00 60.20 C ATOM 0 H ILE A 90 -15.099 10.014 0.462 1.00 11.03 H new ATOM 0 HA ILE A 90 -13.096 11.145 -1.360 1.00 12.54 H new ATOM 0 HB ILE A 90 -12.614 9.155 0.889 1.00 64.12 H new ATOM 0 HG12 ILE A 90 -12.096 12.095 1.251 1.00 73.33 H new ATOM 0 HG13 ILE A 90 -13.739 11.517 1.445 1.00 73.33 H new ATOM 0 HG21 ILE A 90 -10.312 10.088 0.814 1.00 3.31 H new ATOM 0 HG22 ILE A 90 -10.792 9.397 -0.754 1.00 3.31 H new ATOM 0 HG23 ILE A 90 -10.799 11.161 -0.520 1.00 3.31 H new ATOM 0 HD11 ILE A 90 -12.580 11.601 3.597 1.00 60.20 H new ATOM 0 HD12 ILE A 90 -12.988 9.921 3.173 1.00 60.20 H new ATOM 0 HD13 ILE A 90 -11.320 10.508 2.976 1.00 60.20 H new ATOM 1465 N ILE A 91 -13.920 7.920 -1.150 1.00 33.14 N ATOM 1466 CA ILE A 91 -13.904 6.647 -1.873 1.00 30.21 C ATOM 1467 C ILE A 91 -15.316 6.280 -2.381 1.00 51.24 C ATOM 1468 O ILE A 91 -16.133 5.758 -1.614 1.00 52.40 O ATOM 1469 CB ILE A 91 -13.330 5.483 -0.990 1.00 70.43 C ATOM 1470 CG1 ILE A 91 -12.041 5.903 -0.222 1.00 74.32 C ATOM 1471 CG2 ILE A 91 -13.073 4.219 -1.823 1.00 53.23 C ATOM 1472 CD1 ILE A 91 -10.884 6.420 -1.078 1.00 2.32 C ATOM 0 H ILE A 91 -14.395 7.883 -0.248 1.00 33.14 H new ATOM 0 HA ILE A 91 -13.244 6.776 -2.731 1.00 30.21 H new ATOM 0 HB ILE A 91 -14.094 5.255 -0.247 1.00 70.43 H new ATOM 0 HG12 ILE A 91 -12.308 6.677 0.497 1.00 74.32 H new ATOM 0 HG13 ILE A 91 -11.688 5.045 0.350 1.00 74.32 H new ATOM 0 HG21 ILE A 91 -12.676 3.434 -1.180 1.00 53.23 H new ATOM 0 HG22 ILE A 91 -14.008 3.883 -2.272 1.00 53.23 H new ATOM 0 HG23 ILE A 91 -12.353 4.442 -2.610 1.00 53.23 H new ATOM 0 HD11 ILE A 91 -10.044 6.681 -0.435 1.00 2.32 H new ATOM 0 HD12 ILE A 91 -10.576 5.645 -1.780 1.00 2.32 H new ATOM 0 HD13 ILE A 91 -11.206 7.303 -1.630 1.00 2.32 H new ATOM 1484 N PRO A 92 -15.632 6.552 -3.685 1.00 65.32 N ATOM 1485 CA PRO A 92 -16.948 6.222 -4.267 1.00 52.13 C ATOM 1486 C PRO A 92 -17.147 4.701 -4.470 1.00 22.44 C ATOM 1487 O PRO A 92 -16.173 3.945 -4.405 1.00 33.23 O ATOM 1488 CB PRO A 92 -16.937 6.958 -5.615 1.00 2.33 C ATOM 1489 CG PRO A 92 -15.502 7.095 -5.974 1.00 52.44 C ATOM 1490 CD PRO A 92 -14.752 7.225 -4.676 1.00 13.45 C ATOM 0 HA PRO A 92 -17.767 6.520 -3.613 1.00 52.13 H new ATOM 0 HB2 PRO A 92 -17.481 6.396 -6.375 1.00 2.33 H new ATOM 0 HB3 PRO A 92 -17.417 7.933 -5.535 1.00 2.33 H new ATOM 0 HG2 PRO A 92 -15.158 6.227 -6.537 1.00 52.44 H new ATOM 0 HG3 PRO A 92 -15.341 7.969 -6.605 1.00 52.44 H new ATOM 0 HD2 PRO A 92 -13.774 6.748 -4.730 1.00 13.45 H new ATOM 0 HD3 PRO A 92 -14.583 8.270 -4.415 1.00 13.45 H new ATOM 1498 N PRO A 93 -18.409 4.230 -4.719 1.00 53.53 N ATOM 1499 CA PRO A 93 -18.695 2.795 -4.918 1.00 52.41 C ATOM 1500 C PRO A 93 -18.240 2.273 -6.287 1.00 70.11 C ATOM 1501 O PRO A 93 -18.357 2.975 -7.295 1.00 21.32 O ATOM 1502 CB PRO A 93 -20.222 2.721 -4.794 1.00 64.31 C ATOM 1503 CG PRO A 93 -20.714 4.065 -5.215 1.00 30.24 C ATOM 1504 CD PRO A 93 -19.645 5.050 -4.816 1.00 73.21 C ATOM 0 HA PRO A 93 -18.158 2.176 -4.199 1.00 52.41 H new ATOM 0 HB2 PRO A 93 -20.631 1.935 -5.429 1.00 64.31 H new ATOM 0 HB3 PRO A 93 -20.524 2.494 -3.771 1.00 64.31 H new ATOM 0 HG2 PRO A 93 -20.889 4.096 -6.290 1.00 30.24 H new ATOM 0 HG3 PRO A 93 -21.661 4.302 -4.731 1.00 30.24 H new ATOM 0 HD2 PRO A 93 -19.539 5.844 -5.556 1.00 73.21 H new ATOM 0 HD3 PRO A 93 -19.880 5.529 -3.866 1.00 73.21 H new ATOM 1512 N HIS A 94 -17.719 1.028 -6.304 1.00 21.21 N ATOM 1513 CA HIS A 94 -17.230 0.358 -7.535 1.00 45.34 C ATOM 1514 C HIS A 94 -16.139 1.192 -8.242 1.00 60.20 C ATOM 1515 O HIS A 94 -16.163 1.377 -9.466 1.00 61.45 O ATOM 1516 CB HIS A 94 -18.398 0.049 -8.502 1.00 53.42 C ATOM 1517 CG HIS A 94 -19.470 -0.814 -7.904 1.00 13.53 C ATOM 1518 ND1 HIS A 94 -19.401 -2.187 -7.833 1.00 25.22 N ATOM 1519 CD2 HIS A 94 -20.653 -0.468 -7.336 1.00 61.31 C ATOM 1520 CE1 HIS A 94 -20.519 -2.624 -7.237 1.00 14.10 C ATOM 1521 NE2 HIS A 94 -21.312 -1.620 -6.915 1.00 70.34 N ATOM 0 H HIS A 94 -17.624 0.456 -5.465 1.00 21.21 H new ATOM 0 HA HIS A 94 -16.779 -0.587 -7.233 1.00 45.34 H new ATOM 0 HB2 HIS A 94 -18.843 0.988 -8.831 1.00 53.42 H new ATOM 0 HB3 HIS A 94 -18.001 -0.444 -9.390 1.00 53.42 H new ATOM 0 HD2 HIS A 94 -21.024 0.540 -7.228 1.00 61.31 H new ATOM 0 HE1 HIS A 94 -20.742 -3.663 -7.045 1.00 14.10 H new ATOM 0 HE2 HIS A 94 -22.220 -1.676 -6.453 1.00 70.34 H new ATOM 1529 N ALA A 95 -15.175 1.678 -7.448 1.00 4.51 N ATOM 1530 CA ALA A 95 -14.082 2.501 -7.962 1.00 71.05 C ATOM 1531 C ALA A 95 -12.720 1.938 -7.578 1.00 4.34 C ATOM 1532 O ALA A 95 -12.487 1.560 -6.427 1.00 71.42 O ATOM 1533 CB ALA A 95 -14.227 3.932 -7.462 1.00 13.05 C ATOM 0 H ALA A 95 -15.134 1.512 -6.442 1.00 4.51 H new ATOM 0 HA ALA A 95 -14.142 2.493 -9.050 1.00 71.05 H new ATOM 0 HB1 ALA A 95 -13.408 4.538 -7.850 1.00 13.05 H new ATOM 0 HB2 ALA A 95 -15.177 4.343 -7.805 1.00 13.05 H new ATOM 0 HB3 ALA A 95 -14.200 3.941 -6.372 1.00 13.05 H new ATOM 1539 N THR A 96 -11.833 1.896 -8.574 1.00 34.22 N ATOM 1540 CA THR A 96 -10.463 1.399 -8.417 1.00 13.14 C ATOM 1541 C THR A 96 -9.538 2.505 -7.885 1.00 22.22 C ATOM 1542 O THR A 96 -9.655 3.667 -8.283 1.00 73.11 O ATOM 1543 CB THR A 96 -9.927 0.863 -9.770 1.00 32.40 C ATOM 1544 OG1 THR A 96 -10.924 0.048 -10.400 1.00 74.25 O ATOM 1545 CG2 THR A 96 -8.650 0.040 -9.599 1.00 64.35 C ATOM 0 H THR A 96 -12.046 2.209 -9.521 1.00 34.22 H new ATOM 0 HA THR A 96 -10.478 0.584 -7.693 1.00 13.14 H new ATOM 0 HB THR A 96 -9.693 1.729 -10.390 1.00 32.40 H new ATOM 0 HG1 THR A 96 -11.332 0.544 -11.140 1.00 74.25 H new ATOM 0 HG21 THR A 96 -8.312 -0.314 -10.573 1.00 64.35 H new ATOM 0 HG22 THR A 96 -7.875 0.660 -9.150 1.00 64.35 H new ATOM 0 HG23 THR A 96 -8.851 -0.814 -8.952 1.00 64.35 H new ATOM 1553 N LEU A 97 -8.628 2.116 -6.986 1.00 71.52 N ATOM 1554 CA LEU A 97 -7.680 3.046 -6.373 1.00 52.44 C ATOM 1555 C LEU A 97 -6.238 2.658 -6.704 1.00 25.12 C ATOM 1556 O LEU A 97 -5.947 1.487 -6.971 1.00 65.13 O ATOM 1557 CB LEU A 97 -7.876 3.063 -4.849 1.00 65.44 C ATOM 1558 CG LEU A 97 -9.305 3.352 -4.366 1.00 4.14 C ATOM 1559 CD1 LEU A 97 -9.590 2.602 -3.076 1.00 14.14 C ATOM 1560 CD2 LEU A 97 -9.526 4.844 -4.174 1.00 45.25 C ATOM 0 H LEU A 97 -8.530 1.153 -6.666 1.00 71.52 H new ATOM 0 HA LEU A 97 -7.869 4.041 -6.776 1.00 52.44 H new ATOM 0 HB2 LEU A 97 -7.565 2.097 -4.450 1.00 65.44 H new ATOM 0 HB3 LEU A 97 -7.209 3.813 -4.423 1.00 65.44 H new ATOM 0 HG LEU A 97 -9.998 3.005 -5.132 1.00 4.14 H new ATOM 0 HD11 LEU A 97 -10.607 2.817 -2.747 1.00 14.14 H new ATOM 0 HD12 LEU A 97 -9.483 1.531 -3.247 1.00 14.14 H new ATOM 0 HD13 LEU A 97 -8.885 2.919 -2.307 1.00 14.14 H new ATOM 0 HD21 LEU A 97 -10.546 5.020 -3.832 1.00 45.25 H new ATOM 0 HD22 LEU A 97 -8.824 5.223 -3.432 1.00 45.25 H new ATOM 0 HD23 LEU A 97 -9.367 5.360 -5.121 1.00 45.25 H new ATOM 1572 N VAL A 98 -5.346 3.653 -6.682 1.00 33.31 N ATOM 1573 CA VAL A 98 -3.922 3.446 -6.973 1.00 60.04 C ATOM 1574 C VAL A 98 -3.083 3.847 -5.754 1.00 55.00 C ATOM 1575 O VAL A 98 -3.272 4.928 -5.194 1.00 63.34 O ATOM 1576 CB VAL A 98 -3.465 4.261 -8.227 1.00 0.44 C ATOM 1577 CG1 VAL A 98 -1.999 3.998 -8.579 1.00 51.44 C ATOM 1578 CG2 VAL A 98 -4.347 3.953 -9.434 1.00 72.32 C ATOM 0 H VAL A 98 -5.588 4.620 -6.463 1.00 33.31 H new ATOM 0 HA VAL A 98 -3.773 2.389 -7.192 1.00 60.04 H new ATOM 0 HB VAL A 98 -3.568 5.315 -7.969 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -1.725 4.584 -9.456 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -1.366 4.284 -7.739 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -1.861 2.938 -8.793 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -4.006 4.534 -10.291 1.00 72.32 H new ATOM 0 HG22 VAL A 98 -4.285 2.890 -9.668 1.00 72.32 H new ATOM 0 HG23 VAL A 98 -5.380 4.215 -9.206 1.00 72.32 H new ATOM 1588 N PHE A 99 -2.166 2.962 -5.354 1.00 53.41 N ATOM 1589 CA PHE A 99 -1.288 3.210 -4.210 1.00 43.43 C ATOM 1590 C PHE A 99 0.157 2.873 -4.555 1.00 54.24 C ATOM 1591 O PHE A 99 0.434 1.809 -5.116 1.00 52.42 O ATOM 1592 CB PHE A 99 -1.726 2.380 -2.999 1.00 34.44 C ATOM 1593 CG PHE A 99 -3.023 2.818 -2.381 1.00 35.13 C ATOM 1594 CD1 PHE A 99 -4.214 2.233 -2.772 1.00 2.50 C ATOM 1595 CD2 PHE A 99 -3.051 3.801 -1.404 1.00 32.20 C ATOM 1596 CE1 PHE A 99 -5.412 2.617 -2.203 1.00 43.45 C ATOM 1597 CE2 PHE A 99 -4.247 4.192 -0.832 1.00 71.30 C ATOM 1598 CZ PHE A 99 -5.429 3.598 -1.232 1.00 42.42 C ATOM 0 H PHE A 99 -2.013 2.062 -5.810 1.00 53.41 H new ATOM 0 HA PHE A 99 -1.359 4.269 -3.963 1.00 43.43 H new ATOM 0 HB2 PHE A 99 -1.817 1.337 -3.303 1.00 34.44 H new ATOM 0 HB3 PHE A 99 -0.944 2.425 -2.241 1.00 34.44 H new ATOM 0 HD1 PHE A 99 -4.207 1.466 -3.532 1.00 2.50 H new ATOM 0 HD2 PHE A 99 -2.129 4.266 -1.087 1.00 32.20 H new ATOM 0 HE1 PHE A 99 -6.334 2.151 -2.517 1.00 43.45 H new ATOM 0 HE2 PHE A 99 -4.258 4.961 -0.073 1.00 71.30 H new ATOM 0 HZ PHE A 99 -6.365 3.901 -0.786 1.00 42.42 H new ATOM 1608 N ASP A 100 1.069 3.789 -4.221 1.00 61.54 N ATOM 1609 CA ASP A 100 2.494 3.595 -4.476 1.00 40.34 C ATOM 1610 C ASP A 100 3.264 3.533 -3.152 1.00 51.50 C ATOM 1611 O ASP A 100 3.477 4.560 -2.496 1.00 33.42 O ATOM 1612 CB ASP A 100 3.032 4.723 -5.374 1.00 33.13 C ATOM 1613 CG ASP A 100 4.336 4.361 -6.066 1.00 31.24 C ATOM 1614 OD1 ASP A 100 5.385 4.352 -5.388 1.00 54.54 O ATOM 1615 OD2 ASP A 100 4.307 4.089 -7.284 1.00 62.02 O ATOM 0 H ASP A 100 0.842 4.676 -3.771 1.00 61.54 H new ATOM 0 HA ASP A 100 2.636 2.648 -4.998 1.00 40.34 H new ATOM 0 HB2 ASP A 100 2.283 4.968 -6.127 1.00 33.13 H new ATOM 0 HB3 ASP A 100 3.183 5.619 -4.771 1.00 33.13 H new ATOM 1620 N VAL A 101 3.660 2.316 -2.759 1.00 2.04 N ATOM 1621 CA VAL A 101 4.407 2.113 -1.513 1.00 60.42 C ATOM 1622 C VAL A 101 5.879 1.817 -1.795 1.00 12.12 C ATOM 1623 O VAL A 101 6.226 1.303 -2.862 1.00 50.32 O ATOM 1624 CB VAL A 101 3.801 0.987 -0.611 1.00 11.15 C ATOM 1625 CG1 VAL A 101 2.354 1.295 -0.242 1.00 31.41 C ATOM 1626 CG2 VAL A 101 3.893 -0.397 -1.256 1.00 41.23 C ATOM 0 H VAL A 101 3.476 1.461 -3.284 1.00 2.04 H new ATOM 0 HA VAL A 101 4.326 3.049 -0.960 1.00 60.42 H new ATOM 0 HB VAL A 101 4.403 0.967 0.297 1.00 11.15 H new ATOM 0 HG11 VAL A 101 1.960 0.495 0.385 1.00 31.41 H new ATOM 0 HG12 VAL A 101 2.310 2.238 0.303 1.00 31.41 H new ATOM 0 HG13 VAL A 101 1.756 1.373 -1.150 1.00 31.41 H new ATOM 0 HG21 VAL A 101 3.458 -1.140 -0.587 1.00 41.23 H new ATOM 0 HG22 VAL A 101 3.348 -0.395 -2.200 1.00 41.23 H new ATOM 0 HG23 VAL A 101 4.939 -0.643 -1.441 1.00 41.23 H new ATOM 1636 N GLU A 102 6.726 2.149 -0.824 1.00 33.11 N ATOM 1637 CA GLU A 102 8.167 1.918 -0.935 1.00 1.22 C ATOM 1638 C GLU A 102 8.694 1.229 0.322 1.00 51.22 C ATOM 1639 O GLU A 102 8.496 1.719 1.436 1.00 12.21 O ATOM 1640 CB GLU A 102 8.934 3.233 -1.208 1.00 41.11 C ATOM 1641 CG GLU A 102 8.641 4.377 -0.237 1.00 34.12 C ATOM 1642 CD GLU A 102 9.438 5.628 -0.553 1.00 72.23 C ATOM 1643 OE1 GLU A 102 10.557 5.770 -0.017 1.00 62.13 O ATOM 1644 OE2 GLU A 102 8.943 6.465 -1.337 1.00 41.33 O ATOM 0 H GLU A 102 6.439 2.581 0.054 1.00 33.11 H new ATOM 0 HA GLU A 102 8.336 1.261 -1.788 1.00 1.22 H new ATOM 0 HB2 GLU A 102 10.003 3.022 -1.182 1.00 41.11 H new ATOM 0 HB3 GLU A 102 8.699 3.568 -2.218 1.00 41.11 H new ATOM 0 HG2 GLU A 102 7.577 4.611 -0.268 1.00 34.12 H new ATOM 0 HG3 GLU A 102 8.867 4.053 0.779 1.00 34.12 H new ATOM 1651 N LEU A 103 9.379 0.097 0.120 1.00 24.24 N ATOM 1652 CA LEU A 103 9.948 -0.696 1.216 1.00 4.34 C ATOM 1653 C LEU A 103 11.178 0.012 1.810 1.00 3.51 C ATOM 1654 O LEU A 103 12.264 -0.006 1.218 1.00 64.00 O ATOM 1655 CB LEU A 103 10.344 -2.091 0.673 1.00 3.14 C ATOM 1656 CG LEU A 103 9.896 -3.354 1.458 1.00 43.24 C ATOM 1657 CD1 LEU A 103 10.357 -3.340 2.911 1.00 32.51 C ATOM 1658 CD2 LEU A 103 8.388 -3.558 1.377 1.00 21.32 C ATOM 0 H LEU A 103 9.554 -0.294 -0.806 1.00 24.24 H new ATOM 0 HA LEU A 103 9.206 -0.807 2.007 1.00 4.34 H new ATOM 0 HB2 LEU A 103 9.950 -2.175 -0.340 1.00 3.14 H new ATOM 0 HB3 LEU A 103 11.431 -2.119 0.596 1.00 3.14 H new ATOM 0 HG LEU A 103 10.385 -4.199 0.974 1.00 43.24 H new ATOM 0 HD11 LEU A 103 10.015 -4.247 3.410 1.00 32.51 H new ATOM 0 HD12 LEU A 103 11.445 -3.294 2.947 1.00 32.51 H new ATOM 0 HD13 LEU A 103 9.940 -2.469 3.416 1.00 32.51 H new ATOM 0 HD21 LEU A 103 8.111 -4.451 1.938 1.00 21.32 H new ATOM 0 HD22 LEU A 103 7.880 -2.691 1.801 1.00 21.32 H new ATOM 0 HD23 LEU A 103 8.093 -3.678 0.335 1.00 21.32 H new ATOM 1670 N LEU A 104 10.989 0.663 2.967 1.00 4.14 N ATOM 1671 CA LEU A 104 12.071 1.393 3.632 1.00 44.13 C ATOM 1672 C LEU A 104 12.847 0.492 4.600 1.00 0.54 C ATOM 1673 O LEU A 104 14.062 0.327 4.453 1.00 14.41 O ATOM 1674 CB LEU A 104 11.506 2.627 4.365 1.00 71.51 C ATOM 1675 CG LEU A 104 10.600 3.543 3.522 1.00 54.14 C ATOM 1676 CD1 LEU A 104 9.671 4.347 4.415 1.00 73.51 C ATOM 1677 CD2 LEU A 104 11.427 4.473 2.645 1.00 62.23 C ATOM 0 H LEU A 104 10.096 0.697 3.459 1.00 4.14 H new ATOM 0 HA LEU A 104 12.772 1.728 2.868 1.00 44.13 H new ATOM 0 HB2 LEU A 104 10.941 2.285 5.232 1.00 71.51 H new ATOM 0 HB3 LEU A 104 12.341 3.218 4.741 1.00 71.51 H new ATOM 0 HG LEU A 104 9.996 2.910 2.872 1.00 54.14 H new ATOM 0 HD11 LEU A 104 9.039 4.988 3.800 1.00 73.51 H new ATOM 0 HD12 LEU A 104 9.045 3.668 4.994 1.00 73.51 H new ATOM 0 HD13 LEU A 104 10.261 4.963 5.093 1.00 73.51 H new ATOM 0 HD21 LEU A 104 10.762 5.109 2.060 1.00 62.23 H new ATOM 0 HD22 LEU A 104 12.064 5.095 3.274 1.00 62.23 H new ATOM 0 HD23 LEU A 104 12.048 3.882 1.972 1.00 62.23 H new HETATM 1689 N MLY A 105 12.140 -0.089 5.587 1.00 1.45 N HETATM 1690 CA MLY A 105 12.753 -0.981 6.588 1.00 43.20 C HETATM 1691 CB MLY A 105 13.681 -0.195 7.553 1.00 74.32 C HETATM 1692 CG MLY A 105 12.979 0.828 8.460 1.00 22.12 C HETATM 1693 CD MLY A 105 13.368 2.268 8.133 1.00 71.52 C HETATM 1694 CE MLY A 105 14.433 2.788 9.091 1.00 2.14 C HETATM 1695 NZ MLY A 105 14.774 4.181 8.754 1.00 24.33 N HETATM 1696 CH1 MLY A 105 16.205 4.271 8.422 1.00 41.55 C HETATM 1697 CH2 MLY A 105 14.485 5.052 9.904 1.00 22.51 C HETATM 1698 C MLY A 105 11.677 -1.758 7.366 1.00 74.02 C HETATM 1699 O MLY A 105 10.485 -1.444 7.271 1.00 23.23 O HETATM 0 HH23 MLY A 105 13.425 4.988 10.151 1.00 22.51 H new HETATM 0 HH22 MLY A 105 15.077 4.732 10.761 1.00 22.51 H new HETATM 0 HH21 MLY A 105 14.738 6.082 9.653 1.00 22.51 H new HETATM 0 HH13 MLY A 105 16.798 3.950 9.278 1.00 41.55 H new HETATM 0 HH12 MLY A 105 16.422 3.628 7.569 1.00 41.55 H new HETATM 0 HH11 MLY A 105 16.457 5.302 8.173 1.00 41.55 H new HETATM 0 HG3 MLY A 105 11.899 0.716 8.360 1.00 22.12 H new HETATM 0 HG2 MLY A 105 13.227 0.616 9.500 1.00 22.12 H new HETATM 0 HE3 MLY A 105 14.070 2.731 10.117 1.00 2.14 H new HETATM 0 HE2 MLY A 105 15.324 2.162 9.033 1.00 2.14 H new HETATM 0 HD3 MLY A 105 13.739 2.323 7.110 1.00 71.52 H new HETATM 0 HD2 MLY A 105 12.486 2.906 8.187 1.00 71.52 H new HETATM 0 HB3 MLY A 105 14.210 -0.910 8.183 1.00 74.32 H new HETATM 0 HB2 MLY A 105 14.433 0.326 6.961 1.00 74.32 H new HETATM 0 HA MLY A 105 13.370 -1.704 6.054 1.00 43.20 H new ATOM 1716 N LEU A 106 12.114 -2.766 8.131 1.00 51.44 N ATOM 1717 CA LEU A 106 11.206 -3.590 8.932 1.00 50.34 C ATOM 1718 C LEU A 106 11.542 -3.462 10.414 1.00 15.14 C ATOM 1719 O LEU A 106 12.717 -3.365 10.780 1.00 24.35 O ATOM 1720 CB LEU A 106 11.285 -5.068 8.507 1.00 64.41 C ATOM 1721 CG LEU A 106 11.177 -5.350 6.997 1.00 43.31 C ATOM 1722 CD1 LEU A 106 11.718 -6.735 6.680 1.00 23.33 C ATOM 1723 CD2 LEU A 106 9.735 -5.226 6.513 1.00 3.23 C ATOM 0 H LEU A 106 13.096 -3.030 8.211 1.00 51.44 H new ATOM 0 HA LEU A 106 10.190 -3.233 8.762 1.00 50.34 H new ATOM 0 HB2 LEU A 106 12.230 -5.477 8.865 1.00 64.41 H new ATOM 0 HB3 LEU A 106 10.489 -5.613 9.015 1.00 64.41 H new ATOM 0 HG LEU A 106 11.775 -4.605 6.473 1.00 43.31 H new ATOM 0 HD11 LEU A 106 11.636 -6.921 5.609 1.00 23.33 H new ATOM 0 HD12 LEU A 106 12.764 -6.794 6.979 1.00 23.33 H new ATOM 0 HD13 LEU A 106 11.142 -7.484 7.224 1.00 23.33 H new ATOM 0 HD21 LEU A 106 9.691 -5.431 5.443 1.00 3.23 H new ATOM 0 HD22 LEU A 106 9.110 -5.943 7.045 1.00 3.23 H new ATOM 0 HD23 LEU A 106 9.373 -4.216 6.704 1.00 3.23 H new ATOM 1735 N GLU A 107 10.506 -3.464 11.258 1.00 12.24 N ATOM 1736 CA GLU A 107 10.687 -3.346 12.707 1.00 25.05 C ATOM 1737 C GLU A 107 10.049 -4.527 13.431 1.00 14.04 C ATOM 1738 O GLU A 107 10.574 -5.640 13.408 1.00 15.01 O ATOM 1739 CB GLU A 107 10.090 -2.033 13.230 1.00 65.53 C ATOM 1740 CG GLU A 107 10.800 -0.780 12.735 1.00 41.44 C ATOM 1741 CD GLU A 107 10.329 0.475 13.446 1.00 62.30 C ATOM 1742 OE1 GLU A 107 11.036 0.937 14.366 1.00 0.45 O ATOM 1743 OE2 GLU A 107 9.252 0.996 13.084 1.00 25.40 O ATOM 0 H GLU A 107 9.533 -3.546 10.962 1.00 12.24 H new ATOM 0 HA GLU A 107 11.759 -3.347 12.907 1.00 25.05 H new ATOM 0 HB2 GLU A 107 9.041 -1.982 12.937 1.00 65.53 H new ATOM 0 HB3 GLU A 107 10.116 -2.044 14.320 1.00 65.53 H new ATOM 0 HG2 GLU A 107 11.874 -0.894 12.880 1.00 41.44 H new ATOM 0 HG3 GLU A 107 10.633 -0.671 11.663 1.00 41.44 H new TER 1750 GLU A 107