USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 864 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 500 HECFE :(H bumps) USER MOD NoAdj-H: A 500 HEC HAC : A 500 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC HAB : A 500 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC H2D : A 500 HEC O2D : A 500 HEC CGD :(short bond) USER MOD Set 1.1: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 52 ASN : amide:sc= -12.2! C(o=-13!,f=-15!) USER MOD Set 1.3: A 500 HEC O2A : rot 117:sc= -0.957! USER MOD Set 2.1: A 67 TYR OH : rot -163:sc= 0.881 USER MOD Set 2.2: A 80 MET CE :methyl 163:sc= -0.501 (180deg=-1.09) USER MOD Set 3.1: A 70 ASN :FLIP amide:sc= -0.365 F(o=-1.4,f=-0.71) USER MOD Set 3.2: A 73 LYS NZ :NH3+ 153:sc= -0.343 (180deg=-0.0334) USER MOD Set 4.1: A 19 THR OG1 : rot -160:sc= -0.263 USER MOD Set 4.2: A 31 ASN : amide:sc= -3.9! C(o=-4.2!,f=-8.5!) USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.215 (180deg=-0.0434) USER MOD Single : A 5 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.072) USER MOD Single : A 7 LYS NZ :NH3+ -144:sc= -0.841 (180deg=-2.71!) USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00844) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= -0.0973 (180deg=-0.298) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00662) USER MOD Single : A 26 HIS : no HD1:sc= -2.63 X(o=-2.6,f=-2.9) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -7.56! C(o=-7.6!,f=-8.3!) USER MOD Single : A 39 LYS NZ :NH3+ 150:sc= -2.57! (180deg=-3.51!) USER MOD Single : A 40 THR OG1 : rot 160:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.24! X(o=-1.2!,f=-0.78) USER MOD Single : A 46 TYR OH : rot 15:sc= -0.067 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 135:sc= 0.546 USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= -1.44 (180deg=-1.52) USER MOD Single : A 54 ASN : amide:sc= -0.0689 K(o=-0.069,f=-0.77) USER MOD Single : A 55 LYS NZ :NH3+ 139:sc= -5.03! (180deg=-8.35!) USER MOD Single : A 63 THR OG1 : rot -121:sc= -1.63! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -166:sc= -1.79 USER MOD Single : A 79 LYS NZ :NH3+ -150:sc= -3.08! (180deg=-6.71!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -164:sc= -0.0192 (180deg=-0.327) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 150:sc= -1.99! USER MOD Single : A 99 LYS NZ :NH3+ -115:sc= -1.56 (180deg=-2.95!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 11:sc= -0.174! USER MOD Single : A 103 ASN : amide:sc= -0.0997 X(o=-0.1,f=-0.095) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.792 0.795 -0.386 1.00 73.12 N ATOM 2 CA GLY A 1 1.752 0.961 -1.464 1.00 23.12 C ATOM 3 C GLY A 1 2.330 -0.388 -1.897 1.00 15.10 C ATOM 4 O GLY A 1 3.542 -0.525 -2.058 1.00 23.01 O ATOM 0 H1 GLY A 1 0.807 1.636 0.225 1.00 73.12 H new ATOM 0 H2 GLY A 1 -0.161 0.674 -0.785 1.00 73.12 H new ATOM 0 H3 GLY A 1 1.041 -0.045 0.175 1.00 73.12 H new ATOM 0 HA2 GLY A 1 1.270 1.444 -2.314 1.00 23.12 H new ATOM 0 HA3 GLY A 1 2.558 1.619 -1.139 1.00 23.12 H new ATOM 8 N ASP A 2 1.437 -1.350 -2.072 1.00 31.34 N ATOM 9 CA ASP A 2 1.842 -2.684 -2.482 1.00 62.51 C ATOM 10 C ASP A 2 2.091 -2.695 -3.992 1.00 14.32 C ATOM 11 O ASP A 2 1.362 -2.056 -4.749 1.00 25.10 O ATOM 12 CB ASP A 2 0.751 -3.711 -2.175 1.00 74.02 C ATOM 13 CG ASP A 2 1.224 -5.165 -2.136 1.00 73.22 C ATOM 14 OD1 ASP A 2 0.952 -5.951 -3.056 1.00 54.32 O ATOM 15 OD2 ASP A 2 1.908 -5.487 -1.091 1.00 63.02 O1- ATOM 0 H ASP A 2 0.433 -1.232 -1.937 1.00 31.34 H new ATOM 0 HA ASP A 2 2.746 -2.945 -1.933 1.00 62.51 H new ATOM 0 HB2 ASP A 2 0.302 -3.465 -1.213 1.00 74.02 H new ATOM 0 HB3 ASP A 2 -0.034 -3.620 -2.926 1.00 74.02 H new ATOM 21 N VAL A 3 3.123 -3.427 -4.384 1.00 32.11 N ATOM 22 CA VAL A 3 3.478 -3.529 -5.790 1.00 21.23 C ATOM 23 C VAL A 3 2.750 -4.724 -6.408 1.00 32.03 C ATOM 24 O VAL A 3 2.362 -4.683 -7.574 1.00 72.34 O ATOM 25 CB VAL A 3 4.998 -3.609 -5.941 1.00 43.02 C ATOM 26 CG1 VAL A 3 5.690 -2.524 -5.114 1.00 11.15 C ATOM 27 CG2 VAL A 3 5.514 -4.999 -5.564 1.00 25.11 C ATOM 0 H VAL A 3 3.725 -3.955 -3.753 1.00 32.11 H new ATOM 0 HA VAL A 3 3.159 -2.639 -6.332 1.00 21.23 H new ATOM 0 HB VAL A 3 5.240 -3.435 -6.990 1.00 43.02 H new ATOM 0 HG11 VAL A 3 6.770 -2.604 -5.240 1.00 11.15 H new ATOM 0 HG12 VAL A 3 5.357 -1.542 -5.451 1.00 11.15 H new ATOM 0 HG13 VAL A 3 5.437 -2.652 -4.062 1.00 11.15 H new ATOM 0 HG21 VAL A 3 6.597 -5.029 -5.680 1.00 25.11 H new ATOM 0 HG22 VAL A 3 5.254 -5.215 -4.528 1.00 25.11 H new ATOM 0 HG23 VAL A 3 5.059 -5.745 -6.215 1.00 25.11 H new ATOM 37 N GLU A 4 2.589 -5.761 -5.600 1.00 73.22 N ATOM 38 CA GLU A 4 1.915 -6.966 -6.054 1.00 63.21 C ATOM 39 C GLU A 4 0.523 -6.626 -6.589 1.00 2.11 C ATOM 40 O GLU A 4 0.166 -7.023 -7.697 1.00 24.52 O ATOM 41 CB GLU A 4 1.834 -8.004 -4.932 1.00 11.11 C ATOM 42 CG GLU A 4 1.736 -9.420 -5.502 1.00 4.20 C ATOM 43 CD GLU A 4 3.114 -9.942 -5.914 1.00 44.00 C ATOM 44 OE1 GLU A 4 4.136 -9.460 -5.404 1.00 12.45 O ATOM 45 OE2 GLU A 4 3.100 -10.883 -6.796 1.00 23.24 O1- ATOM 0 H GLU A 4 2.914 -5.792 -4.634 1.00 73.22 H new ATOM 0 HA GLU A 4 2.498 -7.402 -6.866 1.00 63.21 H new ATOM 0 HB2 GLU A 4 2.714 -7.925 -4.294 1.00 11.11 H new ATOM 0 HB3 GLU A 4 0.966 -7.800 -4.305 1.00 11.11 H new ATOM 0 HG2 GLU A 4 1.299 -10.086 -4.758 1.00 4.20 H new ATOM 0 HG3 GLU A 4 1.069 -9.423 -6.364 1.00 4.20 H new ATOM 53 N LYS A 5 -0.226 -5.895 -5.776 1.00 75.34 N ATOM 54 CA LYS A 5 -1.573 -5.498 -6.154 1.00 44.05 C ATOM 55 C LYS A 5 -1.503 -4.580 -7.376 1.00 71.23 C ATOM 56 O LYS A 5 -2.056 -4.898 -8.428 1.00 12.12 O ATOM 57 CB LYS A 5 -2.303 -4.880 -4.961 1.00 52.33 C ATOM 58 CG LYS A 5 -3.038 -5.952 -4.153 1.00 25.44 C ATOM 59 CD LYS A 5 -2.067 -6.719 -3.253 1.00 53.34 C ATOM 60 CE LYS A 5 -2.809 -7.397 -2.098 1.00 54.44 C ATOM 61 NZ LYS A 5 -3.791 -8.376 -2.616 1.00 55.34 N1+ ATOM 0 H LYS A 5 0.074 -5.567 -4.858 1.00 75.34 H new ATOM 0 HA LYS A 5 -2.162 -6.369 -6.442 1.00 44.05 H new ATOM 0 HB2 LYS A 5 -1.588 -4.363 -4.321 1.00 52.33 H new ATOM 0 HB3 LYS A 5 -3.014 -4.133 -5.313 1.00 52.33 H new ATOM 0 HG2 LYS A 5 -3.814 -5.487 -3.545 1.00 25.44 H new ATOM 0 HG3 LYS A 5 -3.537 -6.645 -4.830 1.00 25.44 H new ATOM 0 HD2 LYS A 5 -1.537 -7.469 -3.840 1.00 53.34 H new ATOM 0 HD3 LYS A 5 -1.316 -6.036 -2.856 1.00 53.34 H new ATOM 0 HE2 LYS A 5 -2.096 -7.900 -1.445 1.00 54.44 H new ATOM 0 HE3 LYS A 5 -3.319 -6.646 -1.495 1.00 54.44 H new ATOM 0 HZ1 LYS A 5 -4.162 -8.945 -1.829 1.00 55.34 H new ATOM 0 HZ2 LYS A 5 -4.574 -7.871 -3.078 1.00 55.34 H new ATOM 0 HZ3 LYS A 5 -3.327 -9.001 -3.306 1.00 55.34 H new ATOM 74 N GLY A 6 -0.822 -3.458 -7.197 1.00 50.24 N ATOM 75 CA GLY A 6 -0.674 -2.492 -8.271 1.00 73.13 C ATOM 76 C GLY A 6 -0.284 -3.182 -9.580 1.00 54.42 C ATOM 77 O GLY A 6 -0.641 -2.718 -10.662 1.00 0.33 O ATOM 0 H GLY A 6 -0.366 -3.196 -6.323 1.00 50.24 H new ATOM 0 HA2 GLY A 6 -1.609 -1.948 -8.407 1.00 73.13 H new ATOM 0 HA3 GLY A 6 0.086 -1.758 -8.002 1.00 73.13 H new ATOM 81 N LYS A 7 0.443 -4.281 -9.439 1.00 72.11 N ATOM 82 CA LYS A 7 0.885 -5.040 -10.596 1.00 33.13 C ATOM 83 C LYS A 7 -0.328 -5.684 -11.272 1.00 72.23 C ATOM 84 O LYS A 7 -0.411 -5.726 -12.497 1.00 11.22 O ATOM 85 CB LYS A 7 1.971 -6.041 -10.198 1.00 21.32 C ATOM 86 CG LYS A 7 2.513 -6.779 -11.423 1.00 61.52 C ATOM 87 CD LYS A 7 3.331 -8.004 -11.009 1.00 32.11 C ATOM 88 CE LYS A 7 2.422 -9.205 -10.740 1.00 14.32 C ATOM 89 NZ LYS A 7 1.892 -9.154 -9.359 1.00 44.20 N1+ ATOM 0 H LYS A 7 0.737 -4.664 -8.540 1.00 72.11 H new ATOM 0 HA LYS A 7 1.347 -4.380 -11.330 1.00 33.13 H new ATOM 0 HB2 LYS A 7 2.785 -5.519 -9.694 1.00 21.32 H new ATOM 0 HB3 LYS A 7 1.565 -6.760 -9.486 1.00 21.32 H new ATOM 0 HG2 LYS A 7 1.685 -7.089 -12.061 1.00 61.52 H new ATOM 0 HG3 LYS A 7 3.134 -6.105 -12.012 1.00 61.52 H new ATOM 0 HD2 LYS A 7 4.044 -8.252 -11.795 1.00 32.11 H new ATOM 0 HD3 LYS A 7 3.910 -7.774 -10.114 1.00 32.11 H new ATOM 0 HE2 LYS A 7 1.597 -9.211 -11.453 1.00 14.32 H new ATOM 0 HE3 LYS A 7 2.978 -10.130 -10.888 1.00 14.32 H new ATOM 0 HZ1 LYS A 7 1.825 -10.119 -8.977 1.00 44.20 H new ATOM 0 HZ2 LYS A 7 2.530 -8.589 -8.763 1.00 44.20 H new ATOM 0 HZ3 LYS A 7 0.948 -8.718 -9.365 1.00 44.20 H new ATOM 102 N LYS A 8 -1.238 -6.171 -10.440 1.00 14.31 N ATOM 103 CA LYS A 8 -2.442 -6.812 -10.942 1.00 71.23 C ATOM 104 C LYS A 8 -3.283 -5.784 -11.702 1.00 33.24 C ATOM 105 O LYS A 8 -3.802 -6.074 -12.778 1.00 33.30 O ATOM 106 CB LYS A 8 -3.196 -7.502 -9.803 1.00 4.10 C ATOM 107 CG LYS A 8 -2.430 -8.729 -9.303 1.00 33.13 C ATOM 108 CD LYS A 8 -2.719 -9.949 -10.179 1.00 22.11 C ATOM 109 CE LYS A 8 -2.192 -11.229 -9.528 1.00 14.34 C ATOM 110 NZ LYS A 8 -3.119 -11.693 -8.472 1.00 11.43 N1+ ATOM 0 H LYS A 8 -1.166 -6.135 -9.423 1.00 14.31 H new ATOM 0 HA LYS A 8 -2.187 -7.601 -11.649 1.00 71.23 H new ATOM 0 HB2 LYS A 8 -3.343 -6.801 -8.982 1.00 4.10 H new ATOM 0 HB3 LYS A 8 -4.186 -7.802 -10.147 1.00 4.10 H new ATOM 0 HG2 LYS A 8 -1.360 -8.520 -9.305 1.00 33.13 H new ATOM 0 HG3 LYS A 8 -2.711 -8.942 -8.272 1.00 33.13 H new ATOM 0 HD2 LYS A 8 -3.793 -10.036 -10.344 1.00 22.11 H new ATOM 0 HD3 LYS A 8 -2.256 -9.817 -11.157 1.00 22.11 H new ATOM 0 HE2 LYS A 8 -2.074 -12.006 -10.283 1.00 14.34 H new ATOM 0 HE3 LYS A 8 -1.206 -11.047 -9.100 1.00 14.34 H new ATOM 0 HZ1 LYS A 8 -2.791 -12.607 -8.099 1.00 11.43 H new ATOM 0 HZ2 LYS A 8 -3.146 -10.994 -7.702 1.00 11.43 H new ATOM 0 HZ3 LYS A 8 -4.073 -11.805 -8.872 1.00 11.43 H new ATOM 123 N ILE A 9 -3.390 -4.602 -11.111 1.00 15.44 N ATOM 124 CA ILE A 9 -4.159 -3.530 -11.719 1.00 60.11 C ATOM 125 C ILE A 9 -3.498 -3.118 -13.036 1.00 15.22 C ATOM 126 O ILE A 9 -4.059 -3.333 -14.110 1.00 74.43 O ATOM 127 CB ILE A 9 -4.338 -2.374 -10.733 1.00 1.54 C ATOM 128 CG1 ILE A 9 -4.835 -2.881 -9.378 1.00 64.24 C ATOM 129 CG2 ILE A 9 -5.256 -1.295 -11.313 1.00 30.43 C ATOM 130 CD1 ILE A 9 -4.188 -2.103 -8.230 1.00 25.42 C ATOM 0 H ILE A 9 -2.957 -4.364 -10.219 1.00 15.44 H new ATOM 0 HA ILE A 9 -5.165 -3.872 -11.960 1.00 60.11 H new ATOM 0 HB ILE A 9 -3.364 -1.913 -10.567 1.00 1.54 H new ATOM 0 HG12 ILE A 9 -5.919 -2.781 -9.324 1.00 64.24 H new ATOM 0 HG13 ILE A 9 -4.607 -3.942 -9.277 1.00 64.24 H new ATOM 0 HG21 ILE A 9 -5.366 -0.485 -10.592 1.00 30.43 H new ATOM 0 HG22 ILE A 9 -4.822 -0.905 -12.234 1.00 30.43 H new ATOM 0 HG23 ILE A 9 -6.234 -1.726 -11.527 1.00 30.43 H new ATOM 0 HD11 ILE A 9 -4.559 -2.483 -7.278 1.00 25.42 H new ATOM 0 HD12 ILE A 9 -3.106 -2.225 -8.273 1.00 25.42 H new ATOM 0 HD13 ILE A 9 -4.438 -1.046 -8.320 1.00 25.42 H new ATOM 142 N PHE A 10 -2.316 -2.532 -12.911 1.00 13.32 N ATOM 143 CA PHE A 10 -1.574 -2.088 -14.078 1.00 72.43 C ATOM 144 C PHE A 10 -1.660 -3.117 -15.207 1.00 75.11 C ATOM 145 O PHE A 10 -1.936 -2.764 -16.353 1.00 2.34 O ATOM 146 CB PHE A 10 -0.112 -1.941 -13.649 1.00 70.22 C ATOM 147 CG PHE A 10 0.632 -0.807 -14.356 1.00 44.23 C ATOM 148 CD1 PHE A 10 0.997 -0.940 -15.659 1.00 11.20 C ATOM 149 CD2 PHE A 10 0.930 0.336 -13.680 1.00 42.21 C ATOM 150 CE1 PHE A 10 1.688 0.112 -16.315 1.00 43.23 C ATOM 151 CE2 PHE A 10 1.621 1.389 -14.336 1.00 53.34 C ATOM 152 CZ PHE A 10 1.986 1.255 -15.639 1.00 42.41 C ATOM 0 H PHE A 10 -1.854 -2.355 -12.019 1.00 13.32 H new ATOM 0 HA PHE A 10 -1.987 -1.149 -14.446 1.00 72.43 H new ATOM 0 HB2 PHE A 10 -0.075 -1.771 -12.573 1.00 70.22 H new ATOM 0 HB3 PHE A 10 0.409 -2.879 -13.841 1.00 70.22 H new ATOM 0 HD1 PHE A 10 0.761 -1.847 -16.195 1.00 11.20 H new ATOM 0 HD2 PHE A 10 0.641 0.442 -12.645 1.00 42.21 H new ATOM 0 HE1 PHE A 10 1.977 0.006 -17.350 1.00 43.23 H new ATOM 0 HE2 PHE A 10 1.857 2.296 -13.800 1.00 53.34 H new ATOM 0 HZ PHE A 10 2.512 2.056 -16.137 1.00 42.41 H new ATOM 162 N ILE A 11 -1.418 -4.368 -14.845 1.00 62.12 N ATOM 163 CA ILE A 11 -1.466 -5.450 -15.813 1.00 45.21 C ATOM 164 C ILE A 11 -2.752 -5.340 -16.633 1.00 24.11 C ATOM 165 O ILE A 11 -2.734 -5.512 -17.850 1.00 4.32 O ATOM 166 CB ILE A 11 -1.295 -6.801 -15.116 1.00 64.23 C ATOM 167 CG1 ILE A 11 0.179 -7.075 -14.805 1.00 24.22 C ATOM 168 CG2 ILE A 11 -1.927 -7.926 -15.937 1.00 33.21 C ATOM 169 CD1 ILE A 11 0.322 -8.206 -13.784 1.00 43.25 C ATOM 0 H ILE A 11 -1.188 -4.657 -13.894 1.00 62.12 H new ATOM 0 HA ILE A 11 -0.634 -5.371 -16.513 1.00 45.21 H new ATOM 0 HB ILE A 11 -1.823 -6.763 -14.163 1.00 64.23 H new ATOM 0 HG12 ILE A 11 0.705 -7.339 -15.722 1.00 24.22 H new ATOM 0 HG13 ILE A 11 0.647 -6.170 -14.419 1.00 24.22 H new ATOM 0 HG21 ILE A 11 -1.791 -8.875 -15.419 1.00 33.21 H new ATOM 0 HG22 ILE A 11 -2.992 -7.731 -16.063 1.00 33.21 H new ATOM 0 HG23 ILE A 11 -1.449 -7.975 -16.915 1.00 33.21 H new ATOM 0 HD11 ILE A 11 1.378 -8.381 -13.580 1.00 43.25 H new ATOM 0 HD12 ILE A 11 -0.185 -7.928 -12.860 1.00 43.25 H new ATOM 0 HD13 ILE A 11 -0.126 -9.116 -14.184 1.00 43.25 H new ATOM 181 N MET A 12 -3.840 -5.052 -15.931 1.00 20.04 N ATOM 182 CA MET A 12 -5.134 -4.916 -16.580 1.00 73.11 C ATOM 183 C MET A 12 -5.708 -3.513 -16.368 1.00 2.53 C ATOM 184 O MET A 12 -6.918 -3.350 -16.228 1.00 61.15 O ATOM 185 CB MET A 12 -6.100 -5.955 -16.010 1.00 10.44 C ATOM 186 CG MET A 12 -5.796 -6.239 -14.537 1.00 20.33 C ATOM 187 SD MET A 12 -7.222 -6.966 -13.748 1.00 23.32 S ATOM 188 CE MET A 12 -7.898 -5.523 -12.942 1.00 74.43 C ATOM 0 H MET A 12 -3.852 -4.909 -14.921 1.00 20.04 H new ATOM 0 HA MET A 12 -5.003 -5.076 -17.650 1.00 73.11 H new ATOM 0 HB2 MET A 12 -7.125 -5.597 -16.111 1.00 10.44 H new ATOM 0 HB3 MET A 12 -6.027 -6.878 -16.584 1.00 10.44 H new ATOM 0 HG2 MET A 12 -4.943 -6.913 -14.457 1.00 20.33 H new ATOM 0 HG3 MET A 12 -5.521 -5.315 -14.029 1.00 20.33 H new ATOM 0 HE1 MET A 12 -8.801 -5.800 -12.398 1.00 74.43 H new ATOM 0 HE2 MET A 12 -7.164 -5.118 -12.245 1.00 74.43 H new ATOM 0 HE3 MET A 12 -8.142 -4.769 -13.690 1.00 74.43 H new ATOM 198 N LYS A 13 -4.811 -2.538 -16.352 1.00 3.23 N ATOM 199 CA LYS A 13 -5.215 -1.155 -16.161 1.00 42.12 C ATOM 200 C LYS A 13 -4.470 -0.269 -17.161 1.00 34.24 C ATOM 201 O LYS A 13 -5.049 0.177 -18.151 1.00 23.10 O ATOM 202 CB LYS A 13 -5.016 -0.736 -14.702 1.00 13.54 C ATOM 203 CG LYS A 13 -5.719 0.591 -14.412 1.00 61.54 C ATOM 204 CD LYS A 13 -7.135 0.357 -13.882 1.00 54.44 C ATOM 205 CE LYS A 13 -8.145 0.283 -15.029 1.00 54.34 C ATOM 206 NZ LYS A 13 -9.487 0.696 -14.565 1.00 20.13 N1+ ATOM 0 H LYS A 13 -3.807 -2.678 -16.468 1.00 3.23 H new ATOM 0 HA LYS A 13 -6.280 -1.038 -16.361 1.00 42.12 H new ATOM 0 HB2 LYS A 13 -5.406 -1.510 -14.041 1.00 13.54 H new ATOM 0 HB3 LYS A 13 -3.951 -0.642 -14.489 1.00 13.54 H new ATOM 0 HG2 LYS A 13 -5.143 1.160 -13.682 1.00 61.54 H new ATOM 0 HG3 LYS A 13 -5.762 1.190 -15.321 1.00 61.54 H new ATOM 0 HD2 LYS A 13 -7.164 -0.569 -13.307 1.00 54.44 H new ATOM 0 HD3 LYS A 13 -7.410 1.163 -13.202 1.00 54.44 H new ATOM 0 HE2 LYS A 13 -7.823 0.927 -15.847 1.00 54.34 H new ATOM 0 HE3 LYS A 13 -8.186 -0.734 -15.420 1.00 54.34 H new ATOM 0 HZ1 LYS A 13 -10.105 0.853 -15.386 1.00 20.13 H new ATOM 0 HZ2 LYS A 13 -9.892 -0.051 -13.965 1.00 20.13 H new ATOM 0 HZ3 LYS A 13 -9.409 1.577 -14.017 1.00 20.13 H new ATOM 219 N CYS A 14 -3.199 -0.038 -16.869 1.00 0.42 N ATOM 220 CA CYS A 14 -2.370 0.787 -17.730 1.00 73.31 C ATOM 221 C CYS A 14 -1.675 -0.124 -18.745 1.00 61.22 C ATOM 222 O CYS A 14 -1.664 0.166 -19.939 1.00 3.21 O ATOM 223 CB CYS A 14 -1.367 1.615 -16.926 1.00 23.12 C ATOM 224 SG CYS A 14 -1.923 2.074 -15.244 1.00 24.50 S ATOM 0 H CYS A 14 -2.722 -0.409 -16.047 1.00 0.42 H new ATOM 0 HA CYS A 14 -2.995 1.507 -18.258 1.00 73.31 H new ATOM 0 HB2 CYS A 14 -0.436 1.054 -16.845 1.00 23.12 H new ATOM 0 HB3 CYS A 14 -1.143 2.526 -17.480 1.00 23.12 H new ATOM 229 N SER A 15 -1.112 -1.207 -18.230 1.00 53.01 N ATOM 230 CA SER A 15 -0.417 -2.163 -19.076 1.00 44.23 C ATOM 231 C SER A 15 -1.174 -2.342 -20.394 1.00 0.15 C ATOM 232 O SER A 15 -0.562 -2.547 -21.441 1.00 13.43 O ATOM 233 CB SER A 15 -0.257 -3.510 -18.369 1.00 10.33 C ATOM 234 OG SER A 15 0.488 -4.439 -19.152 1.00 53.25 O ATOM 0 H SER A 15 -1.123 -1.444 -17.238 1.00 53.01 H new ATOM 0 HA SER A 15 0.579 -1.773 -19.286 1.00 44.23 H new ATOM 0 HB2 SER A 15 0.243 -3.360 -17.412 1.00 10.33 H new ATOM 0 HB3 SER A 15 -1.241 -3.925 -18.153 1.00 10.33 H new ATOM 0 HG SER A 15 0.569 -5.286 -18.665 1.00 53.25 H new ATOM 240 N GLN A 16 -2.492 -2.259 -20.298 1.00 52.31 N ATOM 241 CA GLN A 16 -3.339 -2.409 -21.470 1.00 24.53 C ATOM 242 C GLN A 16 -2.705 -1.712 -22.675 1.00 24.04 C ATOM 243 O GLN A 16 -2.596 -2.300 -23.750 1.00 52.22 O ATOM 244 CB GLN A 16 -4.746 -1.871 -21.202 1.00 34.30 C ATOM 245 CG GLN A 16 -5.641 -2.044 -22.431 1.00 64.14 C ATOM 246 CD GLN A 16 -5.487 -3.443 -23.030 1.00 25.22 C ATOM 247 OE1 GLN A 16 -5.274 -4.423 -22.335 1.00 33.12 O ATOM 248 NE2 GLN A 16 -5.606 -3.482 -24.354 1.00 5.30 N ATOM 0 H GLN A 16 -2.995 -2.090 -19.427 1.00 52.31 H new ATOM 0 HA GLN A 16 -3.429 -3.471 -21.696 1.00 24.53 H new ATOM 0 HB2 GLN A 16 -5.184 -2.394 -20.352 1.00 34.30 H new ATOM 0 HB3 GLN A 16 -4.691 -0.816 -20.933 1.00 34.30 H new ATOM 0 HG2 GLN A 16 -6.682 -1.876 -22.154 1.00 64.14 H new ATOM 0 HG3 GLN A 16 -5.386 -1.294 -23.180 1.00 64.14 H new ATOM 0 HE21 GLN A 16 -5.784 -2.624 -24.876 1.00 5.30 H new ATOM 0 HE22 GLN A 16 -5.519 -4.370 -24.848 1.00 5.30 H new ATOM 257 N CYS A 17 -2.304 -0.468 -22.457 1.00 3.32 N ATOM 258 CA CYS A 17 -1.685 0.316 -23.512 1.00 24.21 C ATOM 259 C CYS A 17 -0.224 0.561 -23.132 1.00 61.52 C ATOM 260 O CYS A 17 0.683 0.248 -23.902 1.00 14.11 O ATOM 261 CB CYS A 17 -2.438 1.624 -23.762 1.00 30.04 C ATOM 262 SG CYS A 17 -4.200 1.600 -23.271 1.00 4.14 S ATOM 0 H CYS A 17 -2.396 0.017 -21.564 1.00 3.32 H new ATOM 0 HA CYS A 17 -1.728 -0.235 -24.452 1.00 24.21 H new ATOM 0 HB2 CYS A 17 -1.935 2.426 -23.221 1.00 30.04 H new ATOM 0 HB3 CYS A 17 -2.374 1.867 -24.823 1.00 30.04 H new ATOM 267 N HIS A 18 -0.040 1.121 -21.945 1.00 62.50 N ATOM 268 CA HIS A 18 1.296 1.412 -21.454 1.00 4.04 C ATOM 269 C HIS A 18 2.130 0.130 -21.441 1.00 22.22 C ATOM 270 O HIS A 18 1.627 -0.945 -21.767 1.00 62.34 O ATOM 271 CB HIS A 18 1.235 2.095 -20.086 1.00 40.31 C ATOM 272 CG HIS A 18 0.790 3.536 -20.138 1.00 54.33 C ATOM 273 ND1 HIS A 18 1.576 4.545 -20.669 1.00 50.21 N ATOM 274 CD2 HIS A 18 -0.367 4.128 -19.722 1.00 25.02 C ATOM 275 CE1 HIS A 18 0.912 5.688 -20.569 1.00 64.43 C ATOM 276 NE2 HIS A 18 -0.291 5.428 -19.983 1.00 53.31 N ATOM 0 H HIS A 18 -0.794 1.381 -21.309 1.00 62.50 H new ATOM 0 HA HIS A 18 1.788 2.116 -22.125 1.00 4.04 H new ATOM 0 HB2 HIS A 18 0.553 1.538 -19.443 1.00 40.31 H new ATOM 0 HB3 HIS A 18 2.221 2.046 -19.623 1.00 40.31 H new ATOM 0 HD1 HIS A 18 2.507 4.429 -21.069 1.00 50.21 H new ATOM 0 HD2 HIS A 18 -1.203 3.625 -19.259 1.00 25.02 H new ATOM 0 HE1 HIS A 18 1.263 6.656 -20.895 1.00 64.43 H new ATOM 284 N THR A 19 3.389 0.284 -21.059 1.00 13.43 N ATOM 285 CA THR A 19 4.297 -0.849 -20.999 1.00 60.21 C ATOM 286 C THR A 19 5.489 -0.529 -20.095 1.00 32.10 C ATOM 287 O THR A 19 6.381 0.226 -20.480 1.00 32.41 O ATOM 288 CB THR A 19 4.700 -1.209 -22.430 1.00 74.25 C ATOM 289 OG1 THR A 19 4.841 0.052 -23.079 1.00 32.15 O ATOM 290 CG2 THR A 19 3.572 -1.899 -23.200 1.00 61.22 C ATOM 0 H THR A 19 3.802 1.176 -20.788 1.00 13.43 H new ATOM 0 HA THR A 19 3.815 -1.719 -20.553 1.00 60.21 H new ATOM 0 HB THR A 19 5.575 -1.858 -22.408 1.00 74.25 H new ATOM 0 HG1 THR A 19 4.785 -0.072 -24.050 1.00 32.15 H new ATOM 0 HG21 THR A 19 3.911 -2.133 -24.209 1.00 61.22 H new ATOM 0 HG22 THR A 19 3.293 -2.820 -22.688 1.00 61.22 H new ATOM 0 HG23 THR A 19 2.708 -1.236 -23.251 1.00 61.22 H new ATOM 298 N VAL A 20 5.466 -1.118 -18.908 1.00 73.30 N ATOM 299 CA VAL A 20 6.534 -0.905 -17.946 1.00 62.41 C ATOM 300 C VAL A 20 7.631 -1.948 -18.170 1.00 42.31 C ATOM 301 O VAL A 20 8.099 -2.575 -17.221 1.00 23.32 O ATOM 302 CB VAL A 20 5.969 -0.928 -16.524 1.00 73.02 C ATOM 303 CG1 VAL A 20 4.747 -0.015 -16.406 1.00 11.15 C ATOM 304 CG2 VAL A 20 5.631 -2.356 -16.091 1.00 54.03 C ATOM 0 H VAL A 20 4.725 -1.743 -18.591 1.00 73.30 H new ATOM 0 HA VAL A 20 6.985 0.077 -18.087 1.00 62.41 H new ATOM 0 HB VAL A 20 6.738 -0.548 -15.851 1.00 73.02 H new ATOM 0 HG11 VAL A 20 4.364 -0.049 -15.386 1.00 11.15 H new ATOM 0 HG12 VAL A 20 5.032 1.008 -16.653 1.00 11.15 H new ATOM 0 HG13 VAL A 20 3.973 -0.352 -17.095 1.00 11.15 H new ATOM 0 HG21 VAL A 20 5.231 -2.344 -15.077 1.00 54.03 H new ATOM 0 HG22 VAL A 20 4.888 -2.775 -16.769 1.00 54.03 H new ATOM 0 HG23 VAL A 20 6.533 -2.968 -16.118 1.00 54.03 H new ATOM 314 N GLU A 21 8.011 -2.099 -19.430 1.00 2.20 N ATOM 315 CA GLU A 21 9.044 -3.055 -19.791 1.00 22.52 C ATOM 316 C GLU A 21 9.922 -2.491 -20.909 1.00 34.35 C ATOM 317 O GLU A 21 9.433 -2.197 -21.999 1.00 52.54 O ATOM 318 CB GLU A 21 8.432 -4.397 -20.198 1.00 61.35 C ATOM 319 CG GLU A 21 7.235 -4.194 -21.128 1.00 1.24 C ATOM 320 CD GLU A 21 6.635 -5.537 -21.551 1.00 73.45 C ATOM 321 OE1 GLU A 21 6.833 -6.548 -20.863 1.00 31.11 O ATOM 322 OE2 GLU A 21 5.940 -5.505 -22.638 1.00 44.15 O1- ATOM 0 H GLU A 21 7.622 -1.575 -20.214 1.00 2.20 H new ATOM 0 HA GLU A 21 9.671 -3.230 -18.917 1.00 22.52 H new ATOM 0 HB2 GLU A 21 9.185 -5.008 -20.696 1.00 61.35 H new ATOM 0 HB3 GLU A 21 8.117 -4.942 -19.308 1.00 61.35 H new ATOM 0 HG2 GLU A 21 6.476 -3.595 -20.624 1.00 1.24 H new ATOM 0 HG3 GLU A 21 7.547 -3.637 -22.011 1.00 1.24 H new ATOM 330 N LYS A 22 11.204 -2.356 -20.601 1.00 34.22 N ATOM 331 CA LYS A 22 12.154 -1.831 -21.566 1.00 44.40 C ATOM 332 C LYS A 22 11.842 -2.408 -22.948 1.00 4.32 C ATOM 333 O LYS A 22 12.045 -3.598 -23.189 1.00 2.32 O ATOM 334 CB LYS A 22 13.589 -2.091 -21.101 1.00 74.13 C ATOM 335 CG LYS A 22 14.600 -1.577 -22.129 1.00 50.22 C ATOM 336 CD LYS A 22 14.884 -0.089 -21.921 1.00 63.22 C ATOM 337 CE LYS A 22 13.862 0.775 -22.663 1.00 63.42 C ATOM 338 NZ LYS A 22 14.463 2.068 -23.057 1.00 43.00 N1+ ATOM 0 H LYS A 22 11.606 -2.601 -19.696 1.00 34.22 H new ATOM 0 HA LYS A 22 12.059 -0.748 -21.643 1.00 44.40 H new ATOM 0 HB2 LYS A 22 13.759 -1.601 -20.142 1.00 74.13 H new ATOM 0 HB3 LYS A 22 13.736 -3.159 -20.944 1.00 74.13 H new ATOM 0 HG2 LYS A 22 15.528 -2.143 -22.046 1.00 50.22 H new ATOM 0 HG3 LYS A 22 14.215 -1.740 -23.136 1.00 50.22 H new ATOM 0 HD2 LYS A 22 14.858 0.144 -20.857 1.00 63.22 H new ATOM 0 HD3 LYS A 22 15.888 0.146 -22.274 1.00 63.22 H new ATOM 0 HE2 LYS A 22 13.507 0.248 -23.548 1.00 63.42 H new ATOM 0 HE3 LYS A 22 12.995 0.950 -22.026 1.00 63.42 H new ATOM 0 HZ1 LYS A 22 13.755 2.641 -23.559 1.00 43.00 H new ATOM 0 HZ2 LYS A 22 14.781 2.577 -22.207 1.00 43.00 H new ATOM 0 HZ3 LYS A 22 15.276 1.897 -23.682 1.00 43.00 H new ATOM 351 N GLY A 23 11.353 -1.539 -23.821 1.00 52.14 N ATOM 352 CA GLY A 23 11.010 -1.947 -25.172 1.00 30.32 C ATOM 353 C GLY A 23 9.579 -1.537 -25.523 1.00 2.14 C ATOM 354 O GLY A 23 9.188 -1.566 -26.690 1.00 23.14 O ATOM 0 H GLY A 23 11.186 -0.553 -23.618 1.00 52.14 H new ATOM 0 HA2 GLY A 23 11.705 -1.495 -25.879 1.00 30.32 H new ATOM 0 HA3 GLY A 23 11.116 -3.028 -25.267 1.00 30.32 H new ATOM 358 N GLY A 24 8.835 -1.162 -24.493 1.00 32.53 N ATOM 359 CA GLY A 24 7.455 -0.746 -24.677 1.00 33.34 C ATOM 360 C GLY A 24 7.310 0.131 -25.923 1.00 72.53 C ATOM 361 O GLY A 24 7.707 1.295 -25.918 1.00 13.20 O ATOM 0 H GLY A 24 9.162 -1.138 -23.527 1.00 32.53 H new ATOM 0 HA2 GLY A 24 6.816 -1.624 -24.769 1.00 33.34 H new ATOM 0 HA3 GLY A 24 7.117 -0.196 -23.799 1.00 33.34 H new ATOM 365 N LYS A 25 6.736 -0.462 -26.960 1.00 11.42 N ATOM 366 CA LYS A 25 6.533 0.250 -28.211 1.00 2.02 C ATOM 367 C LYS A 25 5.694 1.503 -27.947 1.00 31.52 C ATOM 368 O LYS A 25 5.192 1.697 -26.842 1.00 72.44 O ATOM 369 CB LYS A 25 5.934 -0.681 -29.266 1.00 24.30 C ATOM 370 CG LYS A 25 7.034 -1.359 -30.086 1.00 22.43 C ATOM 371 CD LYS A 25 6.540 -1.694 -31.495 1.00 53.42 C ATOM 372 CE LYS A 25 7.686 -2.204 -32.370 1.00 11.53 C ATOM 373 NZ LYS A 25 8.105 -3.556 -31.938 1.00 63.31 N1+ ATOM 0 H LYS A 25 6.405 -1.427 -26.960 1.00 11.42 H new ATOM 0 HA LYS A 25 7.487 0.584 -28.620 1.00 2.02 H new ATOM 0 HB2 LYS A 25 5.318 -1.438 -28.781 1.00 24.30 H new ATOM 0 HB3 LYS A 25 5.279 -0.114 -29.928 1.00 24.30 H new ATOM 0 HG2 LYS A 25 7.903 -0.704 -30.148 1.00 22.43 H new ATOM 0 HG3 LYS A 25 7.357 -2.271 -29.584 1.00 22.43 H new ATOM 0 HD2 LYS A 25 5.756 -2.449 -31.440 1.00 53.42 H new ATOM 0 HD3 LYS A 25 6.097 -0.808 -31.949 1.00 53.42 H new ATOM 0 HE2 LYS A 25 7.371 -2.230 -33.413 1.00 11.53 H new ATOM 0 HE3 LYS A 25 8.531 -1.518 -32.309 1.00 11.53 H new ATOM 0 HZ1 LYS A 25 8.861 -3.902 -32.563 1.00 63.31 H new ATOM 0 HZ2 LYS A 25 8.457 -3.515 -30.960 1.00 63.31 H new ATOM 0 HZ3 LYS A 25 7.292 -4.203 -31.987 1.00 63.31 H new ATOM 386 N HIS A 26 5.568 2.319 -28.984 1.00 25.51 N ATOM 387 CA HIS A 26 4.798 3.548 -28.879 1.00 74.44 C ATOM 388 C HIS A 26 3.337 3.270 -29.238 1.00 45.22 C ATOM 389 O HIS A 26 2.709 4.054 -29.947 1.00 2.22 O ATOM 390 CB HIS A 26 5.420 4.653 -29.735 1.00 11.11 C ATOM 391 CG HIS A 26 6.583 5.357 -29.077 1.00 12.42 C ATOM 392 ND1 HIS A 26 6.993 5.082 -27.784 1.00 62.23 N ATOM 393 CD2 HIS A 26 7.418 6.326 -29.548 1.00 45.21 C ATOM 394 CE1 HIS A 26 8.029 5.857 -27.500 1.00 75.04 C ATOM 395 NE2 HIS A 26 8.290 6.628 -28.594 1.00 43.14 N ATOM 0 H HIS A 26 5.985 2.154 -29.900 1.00 25.51 H new ATOM 0 HA HIS A 26 4.820 3.910 -27.851 1.00 74.44 H new ATOM 0 HB2 HIS A 26 5.756 4.222 -30.678 1.00 11.11 H new ATOM 0 HB3 HIS A 26 4.652 5.388 -29.975 1.00 11.11 H new ATOM 0 HD2 HIS A 26 7.377 6.772 -30.531 1.00 45.21 H new ATOM 0 HE1 HIS A 26 8.571 5.875 -26.566 1.00 75.04 H new ATOM 0 HE2 HIS A 26 9.033 7.323 -28.667 1.00 43.14 H new ATOM 403 N LYS A 27 2.839 2.150 -28.733 1.00 44.03 N ATOM 404 CA LYS A 27 1.464 1.760 -28.992 1.00 53.42 C ATOM 405 C LYS A 27 0.526 2.884 -28.549 1.00 34.44 C ATOM 406 O LYS A 27 0.971 4.001 -28.286 1.00 33.44 O ATOM 407 CB LYS A 27 1.158 0.411 -28.339 1.00 74.10 C ATOM 408 CG LYS A 27 1.209 -0.721 -29.368 1.00 42.43 C ATOM 409 CD LYS A 27 2.594 -1.371 -29.399 1.00 54.03 C ATOM 410 CE LYS A 27 2.695 -2.494 -28.365 1.00 14.52 C ATOM 411 NZ LYS A 27 2.500 -3.812 -29.009 1.00 5.14 N1+ ATOM 0 H LYS A 27 3.363 1.501 -28.146 1.00 44.03 H new ATOM 0 HA LYS A 27 1.305 1.615 -30.061 1.00 53.42 H new ATOM 0 HB2 LYS A 27 1.877 0.217 -27.543 1.00 74.10 H new ATOM 0 HB3 LYS A 27 0.172 0.442 -27.876 1.00 74.10 H new ATOM 0 HG2 LYS A 27 0.456 -1.471 -29.126 1.00 42.43 H new ATOM 0 HG3 LYS A 27 0.964 -0.331 -30.356 1.00 42.43 H new ATOM 0 HD2 LYS A 27 2.791 -1.769 -30.394 1.00 54.03 H new ATOM 0 HD3 LYS A 27 3.357 -0.619 -29.200 1.00 54.03 H new ATOM 0 HE2 LYS A 27 3.670 -2.461 -27.878 1.00 14.52 H new ATOM 0 HE3 LYS A 27 1.945 -2.348 -27.587 1.00 14.52 H new ATOM 0 HZ1 LYS A 27 2.572 -4.562 -28.293 1.00 5.14 H new ATOM 0 HZ2 LYS A 27 1.560 -3.846 -29.453 1.00 5.14 H new ATOM 0 HZ3 LYS A 27 3.231 -3.955 -29.735 1.00 5.14 H new ATOM 424 N THR A 28 -0.755 2.552 -28.480 1.00 74.51 N ATOM 425 CA THR A 28 -1.759 3.519 -28.073 1.00 2.42 C ATOM 426 C THR A 28 -1.217 4.411 -26.954 1.00 41.14 C ATOM 427 O THR A 28 -1.608 5.571 -26.836 1.00 32.05 O ATOM 428 CB THR A 28 -3.023 2.752 -27.680 1.00 52.12 C ATOM 429 OG1 THR A 28 -3.573 2.329 -28.925 1.00 43.31 O ATOM 430 CG2 THR A 28 -4.100 3.663 -27.088 1.00 32.01 C ATOM 0 H THR A 28 -1.120 1.625 -28.700 1.00 74.51 H new ATOM 0 HA THR A 28 -2.012 4.194 -28.891 1.00 2.42 H new ATOM 0 HB THR A 28 -2.767 1.976 -26.959 1.00 52.12 H new ATOM 0 HG1 THR A 28 -4.396 1.822 -28.764 1.00 43.31 H new ATOM 0 HG21 THR A 28 -4.975 3.069 -26.826 1.00 32.01 H new ATOM 0 HG22 THR A 28 -3.712 4.151 -26.194 1.00 32.01 H new ATOM 0 HG23 THR A 28 -4.381 4.419 -27.822 1.00 32.01 H new ATOM 438 N GLY A 29 -0.326 3.836 -26.162 1.00 64.54 N ATOM 439 CA GLY A 29 0.274 4.563 -25.057 1.00 55.30 C ATOM 440 C GLY A 29 1.801 4.499 -25.121 1.00 1.42 C ATOM 441 O GLY A 29 2.363 3.584 -25.722 1.00 41.14 O ATOM 0 H GLY A 29 -0.004 2.873 -26.263 1.00 64.54 H new ATOM 0 HA2 GLY A 29 -0.051 5.603 -25.083 1.00 55.30 H new ATOM 0 HA3 GLY A 29 -0.071 4.144 -24.112 1.00 55.30 H new ATOM 445 N PRO A 30 2.447 5.508 -24.477 1.00 74.54 N ATOM 446 CA PRO A 30 3.898 5.573 -24.455 1.00 74.11 C ATOM 447 C PRO A 30 4.480 4.539 -23.490 1.00 24.32 C ATOM 448 O PRO A 30 3.748 3.925 -22.716 1.00 24.23 O ATOM 449 CB PRO A 30 4.221 7.004 -24.057 1.00 41.30 C ATOM 450 CG PRO A 30 2.956 7.556 -23.420 1.00 54.01 C ATOM 451 CD PRO A 30 1.815 6.608 -23.755 1.00 12.13 C ATOM 0 HA PRO A 30 4.344 5.331 -25.420 1.00 74.11 H new ATOM 0 HB2 PRO A 30 5.056 7.036 -23.357 1.00 41.30 H new ATOM 0 HB3 PRO A 30 4.511 7.595 -24.926 1.00 41.30 H new ATOM 0 HG2 PRO A 30 3.078 7.641 -22.340 1.00 54.01 H new ATOM 0 HG3 PRO A 30 2.744 8.557 -23.796 1.00 54.01 H new ATOM 0 HD2 PRO A 30 1.316 6.255 -22.853 1.00 12.13 H new ATOM 0 HD3 PRO A 30 1.058 7.100 -24.366 1.00 12.13 H new ATOM 459 N ASN A 31 5.793 4.376 -23.569 1.00 21.33 N ATOM 460 CA ASN A 31 6.482 3.426 -22.713 1.00 33.24 C ATOM 461 C ASN A 31 6.583 4.001 -21.298 1.00 11.33 C ATOM 462 O ASN A 31 6.691 5.213 -21.124 1.00 70.42 O ATOM 463 CB ASN A 31 7.901 3.158 -23.216 1.00 44.34 C ATOM 464 CG ASN A 31 8.734 2.439 -22.154 1.00 45.33 C ATOM 465 OD1 ASN A 31 9.749 2.929 -21.687 1.00 35.40 O ATOM 466 ND2 ASN A 31 8.249 1.253 -21.798 1.00 71.13 N ATOM 0 H ASN A 31 6.397 4.886 -24.213 1.00 21.33 H new ATOM 0 HA ASN A 31 5.916 2.495 -22.720 1.00 33.24 H new ATOM 0 HB2 ASN A 31 7.861 2.554 -24.122 1.00 44.34 H new ATOM 0 HB3 ASN A 31 8.380 4.100 -23.482 1.00 44.34 H new ATOM 0 HD21 ASN A 31 8.732 0.695 -21.094 1.00 71.13 H new ATOM 0 HD22 ASN A 31 7.394 0.902 -22.229 1.00 71.13 H new ATOM 473 N LEU A 32 6.544 3.102 -20.325 1.00 25.52 N ATOM 474 CA LEU A 32 6.629 3.505 -18.931 1.00 3.12 C ATOM 475 C LEU A 32 7.726 2.694 -18.237 1.00 43.31 C ATOM 476 O LEU A 32 7.470 2.033 -17.232 1.00 21.41 O ATOM 477 CB LEU A 32 5.261 3.394 -18.256 1.00 53.22 C ATOM 478 CG LEU A 32 4.146 4.257 -18.852 1.00 2.33 C ATOM 479 CD1 LEU A 32 2.875 4.172 -18.006 1.00 33.31 C ATOM 480 CD2 LEU A 32 4.613 5.701 -19.041 1.00 64.04 C ATOM 0 H LEU A 32 6.455 2.097 -20.474 1.00 25.52 H new ATOM 0 HA LEU A 32 6.911 4.555 -18.854 1.00 3.12 H new ATOM 0 HB2 LEU A 32 4.944 2.352 -18.291 1.00 53.22 H new ATOM 0 HB3 LEU A 32 5.374 3.658 -17.204 1.00 53.22 H new ATOM 0 HG LEU A 32 3.902 3.865 -19.839 1.00 2.33 H new ATOM 0 HD11 LEU A 32 2.099 4.794 -18.452 1.00 33.31 H new ATOM 0 HD12 LEU A 32 2.533 3.138 -17.966 1.00 33.31 H new ATOM 0 HD13 LEU A 32 3.086 4.523 -16.996 1.00 33.31 H new ATOM 0 HD21 LEU A 32 3.802 6.293 -19.466 1.00 64.04 H new ATOM 0 HD22 LEU A 32 4.901 6.119 -18.077 1.00 64.04 H new ATOM 0 HD23 LEU A 32 5.469 5.721 -19.716 1.00 64.04 H new ATOM 492 N HIS A 33 8.921 2.773 -18.801 1.00 23.30 N ATOM 493 CA HIS A 33 10.058 2.054 -18.248 1.00 74.15 C ATOM 494 C HIS A 33 11.068 3.051 -17.678 1.00 20.01 C ATOM 495 O HIS A 33 12.274 2.819 -17.732 1.00 41.10 O ATOM 496 CB HIS A 33 10.672 1.122 -19.295 1.00 31.34 C ATOM 497 CG HIS A 33 11.950 0.455 -18.847 1.00 51.32 C ATOM 498 ND1 HIS A 33 13.203 0.958 -19.149 1.00 11.24 N ATOM 499 CD2 HIS A 33 12.156 -0.680 -18.119 1.00 72.42 C ATOM 500 CE1 HIS A 33 14.115 0.155 -18.621 1.00 33.45 C ATOM 501 NE2 HIS A 33 13.464 -0.861 -17.984 1.00 33.01 N ATOM 0 H HIS A 33 9.128 3.323 -19.635 1.00 23.30 H new ATOM 0 HA HIS A 33 9.726 1.417 -17.428 1.00 74.15 H new ATOM 0 HB2 HIS A 33 9.944 0.353 -19.554 1.00 31.34 H new ATOM 0 HB3 HIS A 33 10.870 1.692 -20.203 1.00 31.34 H new ATOM 0 HD2 HIS A 33 11.385 -1.323 -17.720 1.00 72.42 H new ATOM 0 HE1 HIS A 33 15.186 0.282 -18.684 1.00 33.45 H new ATOM 0 HE2 HIS A 33 13.909 -1.632 -17.486 1.00 33.01 H new ATOM 509 N GLY A 34 10.537 4.142 -17.144 1.00 13.14 N ATOM 510 CA GLY A 34 11.377 5.176 -16.564 1.00 20.04 C ATOM 511 C GLY A 34 10.855 6.570 -16.919 1.00 32.42 C ATOM 512 O GLY A 34 11.609 7.417 -17.395 1.00 44.34 O ATOM 0 H GLY A 34 9.536 4.332 -17.101 1.00 13.14 H new ATOM 0 HA2 GLY A 34 11.407 5.060 -15.481 1.00 20.04 H new ATOM 0 HA3 GLY A 34 12.399 5.064 -16.925 1.00 20.04 H new ATOM 516 N LEU A 35 9.568 6.765 -16.672 1.00 32.24 N ATOM 517 CA LEU A 35 8.936 8.042 -16.959 1.00 31.25 C ATOM 518 C LEU A 35 8.947 8.906 -15.698 1.00 52.04 C ATOM 519 O LEU A 35 8.637 10.096 -15.753 1.00 22.11 O ATOM 520 CB LEU A 35 7.540 7.828 -17.546 1.00 41.23 C ATOM 521 CG LEU A 35 6.537 8.961 -17.321 1.00 31.03 C ATOM 522 CD1 LEU A 35 5.525 9.034 -18.466 1.00 5.42 C ATOM 523 CD2 LEU A 35 5.853 8.826 -15.960 1.00 1.05 C ATOM 0 H LEU A 35 8.946 6.060 -16.276 1.00 32.24 H new ATOM 0 HA LEU A 35 9.498 8.583 -17.721 1.00 31.25 H new ATOM 0 HB2 LEU A 35 7.640 7.666 -18.619 1.00 41.23 H new ATOM 0 HB3 LEU A 35 7.126 6.913 -17.122 1.00 41.23 H new ATOM 0 HG LEU A 35 7.084 9.904 -17.314 1.00 31.03 H new ATOM 0 HD11 LEU A 35 4.824 9.848 -18.281 1.00 5.42 H new ATOM 0 HD12 LEU A 35 6.050 9.214 -19.404 1.00 5.42 H new ATOM 0 HD13 LEU A 35 4.979 8.093 -18.530 1.00 5.42 H new ATOM 0 HD21 LEU A 35 5.145 9.644 -15.826 1.00 1.05 H new ATOM 0 HD22 LEU A 35 5.322 7.875 -15.912 1.00 1.05 H new ATOM 0 HD23 LEU A 35 6.604 8.862 -15.170 1.00 1.05 H new ATOM 535 N PHE A 36 9.308 8.276 -14.590 1.00 20.52 N ATOM 536 CA PHE A 36 9.364 8.973 -13.316 1.00 73.41 C ATOM 537 C PHE A 36 10.661 9.774 -13.185 1.00 62.01 C ATOM 538 O PHE A 36 11.743 9.257 -13.461 1.00 45.32 O ATOM 539 CB PHE A 36 9.322 7.907 -12.220 1.00 3.55 C ATOM 540 CG PHE A 36 7.912 7.434 -11.864 1.00 31.21 C ATOM 541 CD1 PHE A 36 7.114 6.892 -12.824 1.00 21.25 C ATOM 542 CD2 PHE A 36 7.455 7.556 -10.589 1.00 55.31 C ATOM 543 CE1 PHE A 36 5.805 6.454 -12.494 1.00 11.12 C ATOM 544 CE2 PHE A 36 6.145 7.117 -10.259 1.00 43.54 C ATOM 545 CZ PHE A 36 5.348 6.574 -11.219 1.00 24.50 C ATOM 0 H PHE A 36 9.565 7.290 -14.548 1.00 20.52 H new ATOM 0 HA PHE A 36 8.530 9.670 -13.237 1.00 73.41 H new ATOM 0 HB2 PHE A 36 9.912 7.048 -12.540 1.00 3.55 H new ATOM 0 HB3 PHE A 36 9.798 8.304 -11.323 1.00 3.55 H new ATOM 0 HD1 PHE A 36 7.477 6.795 -13.837 1.00 21.25 H new ATOM 0 HD2 PHE A 36 8.088 7.987 -9.827 1.00 55.31 H new ATOM 0 HE1 PHE A 36 5.171 6.025 -13.256 1.00 11.12 H new ATOM 0 HE2 PHE A 36 5.782 7.214 -9.247 1.00 43.54 H new ATOM 0 HZ PHE A 36 4.353 6.238 -10.968 1.00 24.50 H new ATOM 555 N GLY A 37 10.511 11.020 -12.763 1.00 72.03 N ATOM 556 CA GLY A 37 11.657 11.896 -12.592 1.00 54.23 C ATOM 557 C GLY A 37 12.034 12.570 -13.913 1.00 11.10 C ATOM 558 O GLY A 37 13.215 12.771 -14.197 1.00 34.13 O ATOM 0 H GLY A 37 9.612 11.444 -12.534 1.00 72.03 H new ATOM 0 HA2 GLY A 37 11.430 12.656 -11.844 1.00 54.23 H new ATOM 0 HA3 GLY A 37 12.505 11.323 -12.217 1.00 54.23 H new ATOM 562 N ARG A 38 11.010 12.901 -14.685 1.00 20.32 N ATOM 563 CA ARG A 38 11.220 13.548 -15.970 1.00 21.31 C ATOM 564 C ARG A 38 9.989 14.371 -16.356 1.00 12.13 C ATOM 565 O ARG A 38 8.944 14.271 -15.715 1.00 64.01 O ATOM 566 CB ARG A 38 11.501 12.519 -17.065 1.00 72.11 C ATOM 567 CG ARG A 38 10.424 11.432 -17.087 1.00 4.21 C ATOM 568 CD ARG A 38 10.291 10.820 -18.483 1.00 70.22 C ATOM 569 NE ARG A 38 11.373 9.836 -18.709 1.00 24.34 N ATOM 570 CZ ARG A 38 11.341 8.881 -19.662 1.00 4.41 C ATOM 571 NH1 ARG A 38 10.277 8.771 -20.486 1.00 32.22 N ATOM 572 NH2 ARG A 38 12.364 8.055 -19.776 1.00 41.32 N1+ ATOM 0 H ARG A 38 10.033 12.734 -14.446 1.00 20.32 H new ATOM 0 HA ARG A 38 12.085 14.204 -15.874 1.00 21.31 H new ATOM 0 HB2 ARG A 38 11.541 13.016 -18.034 1.00 72.11 H new ATOM 0 HB3 ARG A 38 12.478 12.065 -16.900 1.00 72.11 H new ATOM 0 HG2 ARG A 38 10.674 10.653 -16.367 1.00 4.21 H new ATOM 0 HG3 ARG A 38 9.468 11.856 -16.779 1.00 4.21 H new ATOM 0 HD2 ARG A 38 9.320 10.335 -18.586 1.00 70.22 H new ATOM 0 HD3 ARG A 38 10.337 11.604 -19.239 1.00 70.22 H new ATOM 0 HE ARG A 38 12.195 9.883 -18.107 1.00 24.34 H new ATOM 0 HH11 ARG A 38 9.490 9.412 -20.391 1.00 32.22 H new ATOM 0 HH12 ARG A 38 10.261 8.046 -21.204 1.00 32.22 H new ATOM 0 HH21 ARG A 38 13.164 8.144 -19.149 1.00 41.32 H new ATOM 0 HH22 ARG A 38 12.355 7.328 -20.491 1.00 41.32 H new ATOM 585 N LYS A 39 10.153 15.166 -17.403 1.00 13.22 N ATOM 586 CA LYS A 39 9.069 16.005 -17.884 1.00 74.33 C ATOM 587 C LYS A 39 8.256 15.234 -18.925 1.00 3.51 C ATOM 588 O LYS A 39 8.693 14.194 -19.413 1.00 62.53 O ATOM 589 CB LYS A 39 9.611 17.342 -18.393 1.00 1.41 C ATOM 590 CG LYS A 39 8.491 18.197 -18.989 1.00 54.01 C ATOM 591 CD LYS A 39 8.990 19.607 -19.311 1.00 44.05 C ATOM 592 CE LYS A 39 9.388 20.352 -18.035 1.00 41.14 C ATOM 593 NZ LYS A 39 10.806 20.089 -17.703 1.00 34.23 N1+ ATOM 0 H LYS A 39 11.021 15.247 -17.932 1.00 13.22 H new ATOM 0 HA LYS A 39 8.389 16.253 -17.069 1.00 74.33 H new ATOM 0 HB2 LYS A 39 10.088 17.881 -17.574 1.00 1.41 H new ATOM 0 HB3 LYS A 39 10.378 17.164 -19.147 1.00 1.41 H new ATOM 0 HG2 LYS A 39 8.112 17.726 -19.896 1.00 54.01 H new ATOM 0 HG3 LYS A 39 7.659 18.253 -18.287 1.00 54.01 H new ATOM 0 HD2 LYS A 39 9.845 19.549 -19.984 1.00 44.05 H new ATOM 0 HD3 LYS A 39 8.210 20.162 -19.833 1.00 44.05 H new ATOM 0 HE2 LYS A 39 9.232 21.423 -18.168 1.00 41.14 H new ATOM 0 HE3 LYS A 39 8.750 20.037 -17.209 1.00 41.14 H new ATOM 0 HZ1 LYS A 39 11.205 20.912 -17.209 1.00 34.23 H new ATOM 0 HZ2 LYS A 39 10.869 19.252 -17.089 1.00 34.23 H new ATOM 0 HZ3 LYS A 39 11.341 19.917 -18.578 1.00 34.23 H new ATOM 606 N THR A 40 7.087 15.776 -19.236 1.00 65.31 N ATOM 607 CA THR A 40 6.210 15.153 -20.212 1.00 31.43 C ATOM 608 C THR A 40 6.770 15.330 -21.624 1.00 44.43 C ATOM 609 O THR A 40 7.833 15.922 -21.804 1.00 33.44 O ATOM 610 CB THR A 40 4.809 15.745 -20.035 1.00 11.21 C ATOM 611 OG1 THR A 40 4.924 17.067 -20.552 1.00 13.44 O ATOM 612 CG2 THR A 40 4.443 15.951 -18.563 1.00 70.11 C ATOM 0 H THR A 40 6.727 16.639 -18.829 1.00 65.31 H new ATOM 0 HA THR A 40 6.146 14.076 -20.055 1.00 31.43 H new ATOM 0 HB THR A 40 4.075 15.089 -20.503 1.00 11.21 H new ATOM 0 HG1 THR A 40 4.034 17.409 -20.777 1.00 13.44 H new ATOM 0 HG21 THR A 40 3.440 16.373 -18.493 1.00 70.11 H new ATOM 0 HG22 THR A 40 4.471 14.993 -18.044 1.00 70.11 H new ATOM 0 HG23 THR A 40 5.157 16.634 -18.103 1.00 70.11 H new ATOM 620 N GLY A 41 6.029 14.807 -22.591 1.00 74.22 N ATOM 621 CA GLY A 41 6.439 14.900 -23.981 1.00 71.51 C ATOM 622 C GLY A 41 7.953 14.724 -24.120 1.00 41.34 C ATOM 623 O GLY A 41 8.625 15.555 -24.728 1.00 43.02 O ATOM 0 H GLY A 41 5.147 14.318 -22.438 1.00 74.22 H new ATOM 0 HA2 GLY A 41 5.926 14.138 -24.567 1.00 71.51 H new ATOM 0 HA3 GLY A 41 6.143 15.867 -24.387 1.00 71.51 H new ATOM 627 N GLN A 42 8.444 13.636 -23.545 1.00 44.12 N ATOM 628 CA GLN A 42 9.866 13.340 -23.597 1.00 73.11 C ATOM 629 C GLN A 42 10.142 12.241 -24.626 1.00 50.22 C ATOM 630 O GLN A 42 11.042 12.373 -25.453 1.00 50.14 O ATOM 631 CB GLN A 42 10.395 12.944 -22.217 1.00 52.53 C ATOM 632 CG GLN A 42 10.708 14.183 -21.374 1.00 41.42 C ATOM 633 CD GLN A 42 11.770 15.050 -22.050 1.00 13.22 C ATOM 634 OE1 GLN A 42 12.964 14.834 -21.915 1.00 42.03 O ATOM 635 NE2 GLN A 42 11.273 16.043 -22.782 1.00 33.53 N ATOM 0 H GLN A 42 7.883 12.949 -23.041 1.00 44.12 H new ATOM 0 HA GLN A 42 10.394 14.242 -23.907 1.00 73.11 H new ATOM 0 HB2 GLN A 42 9.657 12.327 -21.704 1.00 52.53 H new ATOM 0 HB3 GLN A 42 11.295 12.339 -22.328 1.00 52.53 H new ATOM 0 HG2 GLN A 42 9.799 14.765 -21.225 1.00 41.42 H new ATOM 0 HG3 GLN A 42 11.056 13.878 -20.387 1.00 41.42 H new ATOM 0 HE21 GLN A 42 10.263 16.168 -22.853 1.00 33.53 H new ATOM 0 HE22 GLN A 42 11.902 16.679 -23.272 1.00 33.53 H new ATOM 644 N ALA A 43 9.351 11.181 -24.539 1.00 21.43 N ATOM 645 CA ALA A 43 9.499 10.060 -25.452 1.00 13.43 C ATOM 646 C ALA A 43 9.799 10.588 -26.856 1.00 25.42 C ATOM 647 O ALA A 43 8.890 11.009 -27.571 1.00 21.44 O ATOM 648 CB ALA A 43 8.237 9.198 -25.410 1.00 52.04 C ATOM 0 H ALA A 43 8.606 11.075 -23.851 1.00 21.43 H new ATOM 0 HA ALA A 43 10.335 9.428 -25.152 1.00 13.43 H new ATOM 0 HB1 ALA A 43 8.348 8.357 -26.095 1.00 52.04 H new ATOM 0 HB2 ALA A 43 8.085 8.824 -24.397 1.00 52.04 H new ATOM 0 HB3 ALA A 43 7.377 9.798 -25.708 1.00 52.04 H new ATOM 654 N PRO A 44 11.109 10.548 -27.218 1.00 54.23 N ATOM 655 CA PRO A 44 11.540 11.017 -28.524 1.00 32.32 C ATOM 656 C PRO A 44 11.170 10.011 -29.617 1.00 45.34 C ATOM 657 O PRO A 44 11.546 8.842 -29.542 1.00 73.41 O ATOM 658 CB PRO A 44 13.039 11.227 -28.392 1.00 53.35 C ATOM 659 CG PRO A 44 13.465 10.431 -27.169 1.00 23.34 C ATOM 660 CD PRO A 44 12.211 10.057 -26.397 1.00 50.12 C ATOM 0 HA PRO A 44 11.047 11.942 -28.823 1.00 32.32 H new ATOM 0 HB2 PRO A 44 13.562 10.882 -29.284 1.00 53.35 H new ATOM 0 HB3 PRO A 44 13.276 12.284 -28.272 1.00 53.35 H new ATOM 0 HG2 PRO A 44 14.011 9.536 -27.467 1.00 23.34 H new ATOM 0 HG3 PRO A 44 14.136 11.021 -26.545 1.00 23.34 H new ATOM 0 HD2 PRO A 44 12.144 8.979 -26.249 1.00 50.12 H new ATOM 0 HD3 PRO A 44 12.203 10.516 -25.408 1.00 50.12 H new ATOM 668 N GLY A 45 10.438 10.502 -30.607 1.00 22.12 N ATOM 669 CA GLY A 45 10.015 9.661 -31.713 1.00 73.44 C ATOM 670 C GLY A 45 8.600 9.127 -31.485 1.00 55.25 C ATOM 671 O GLY A 45 8.210 8.121 -32.074 1.00 72.31 O ATOM 0 H GLY A 45 10.127 11.472 -30.666 1.00 22.12 H new ATOM 0 HA2 GLY A 45 10.047 10.231 -32.641 1.00 73.44 H new ATOM 0 HA3 GLY A 45 10.708 8.828 -31.827 1.00 73.44 H new ATOM 675 N TYR A 46 7.869 9.825 -30.628 1.00 11.53 N ATOM 676 CA TYR A 46 6.505 9.434 -30.315 1.00 1.24 C ATOM 677 C TYR A 46 5.502 10.442 -30.880 1.00 3.31 C ATOM 678 O TYR A 46 5.813 11.623 -31.014 1.00 11.32 O ATOM 679 CB TYR A 46 6.406 9.435 -28.788 1.00 41.13 C ATOM 680 CG TYR A 46 5.116 8.815 -28.247 1.00 1.24 C ATOM 681 CD1 TYR A 46 4.538 7.746 -28.901 1.00 44.14 C ATOM 682 CD2 TYR A 46 4.530 9.326 -27.107 1.00 52.02 C ATOM 683 CE1 TYR A 46 3.324 7.162 -28.392 1.00 65.11 C ATOM 684 CE2 TYR A 46 3.316 8.743 -26.599 1.00 32.21 C ATOM 685 CZ TYR A 46 2.772 7.690 -27.266 1.00 34.24 C ATOM 686 OH TYR A 46 1.625 7.138 -26.786 1.00 1.12 O ATOM 0 H TYR A 46 8.196 10.659 -30.141 1.00 11.53 H new ATOM 0 HA TYR A 46 6.276 8.460 -30.748 1.00 1.24 H new ATOM 0 HB2 TYR A 46 7.258 8.891 -28.379 1.00 41.13 H new ATOM 0 HB3 TYR A 46 6.481 10.462 -28.430 1.00 41.13 H new ATOM 0 HD1 TYR A 46 4.996 7.348 -29.794 1.00 44.14 H new ATOM 0 HD2 TYR A 46 4.982 10.163 -26.596 1.00 52.02 H new ATOM 0 HE1 TYR A 46 2.862 6.324 -28.893 1.00 65.11 H new ATOM 0 HE2 TYR A 46 2.847 9.133 -25.708 1.00 32.21 H new ATOM 0 HH TYR A 46 1.481 6.265 -27.207 1.00 1.12 H new ATOM 696 N SER A 47 4.318 9.937 -31.195 1.00 12.14 N ATOM 697 CA SER A 47 3.267 10.778 -31.742 1.00 63.25 C ATOM 698 C SER A 47 2.430 11.372 -30.609 1.00 53.23 C ATOM 699 O SER A 47 1.204 11.424 -30.699 1.00 5.24 O ATOM 700 CB SER A 47 2.376 9.989 -32.704 1.00 53.34 C ATOM 701 OG SER A 47 1.933 10.788 -33.798 1.00 2.34 O ATOM 0 H SER A 47 4.063 8.956 -31.082 1.00 12.14 H new ATOM 0 HA SER A 47 3.733 11.588 -32.303 1.00 63.25 H new ATOM 0 HB2 SER A 47 2.926 9.128 -33.083 1.00 53.34 H new ATOM 0 HB3 SER A 47 1.512 9.603 -32.164 1.00 53.34 H new ATOM 0 HG SER A 47 1.368 10.248 -34.390 1.00 2.34 H new ATOM 707 N TYR A 48 3.125 11.807 -29.568 1.00 51.45 N ATOM 708 CA TYR A 48 2.460 12.397 -28.418 1.00 53.45 C ATOM 709 C TYR A 48 1.343 13.346 -28.857 1.00 22.32 C ATOM 710 O TYR A 48 1.342 13.827 -29.989 1.00 41.51 O ATOM 711 CB TYR A 48 3.533 13.198 -27.677 1.00 50.11 C ATOM 712 CG TYR A 48 4.124 12.474 -26.466 1.00 52.33 C ATOM 713 CD1 TYR A 48 3.296 11.802 -25.591 1.00 54.41 C ATOM 714 CD2 TYR A 48 5.487 12.494 -26.247 1.00 33.34 C ATOM 715 CE1 TYR A 48 3.852 11.121 -24.451 1.00 15.30 C ATOM 716 CE2 TYR A 48 6.044 11.813 -25.108 1.00 74.44 C ATOM 717 CZ TYR A 48 5.199 11.160 -24.266 1.00 60.15 C ATOM 718 OH TYR A 48 5.725 10.517 -23.189 1.00 3.35 O ATOM 0 H TYR A 48 4.142 11.763 -29.497 1.00 51.45 H new ATOM 0 HA TYR A 48 2.011 11.623 -27.795 1.00 53.45 H new ATOM 0 HB2 TYR A 48 4.337 13.438 -28.372 1.00 50.11 H new ATOM 0 HB3 TYR A 48 3.103 14.144 -27.348 1.00 50.11 H new ATOM 0 HD1 TYR A 48 2.230 11.787 -25.761 1.00 54.41 H new ATOM 0 HD2 TYR A 48 6.136 13.021 -26.931 1.00 33.34 H new ATOM 0 HE1 TYR A 48 3.214 10.591 -23.759 1.00 15.30 H new ATOM 0 HE2 TYR A 48 7.109 11.820 -24.926 1.00 74.44 H new ATOM 0 HH TYR A 48 6.699 10.629 -23.185 1.00 3.35 H new ATOM 728 N THR A 49 0.420 13.587 -27.938 1.00 35.11 N ATOM 729 CA THR A 49 -0.700 14.470 -28.216 1.00 64.22 C ATOM 730 C THR A 49 -0.311 15.925 -27.949 1.00 54.14 C ATOM 731 O THR A 49 0.625 16.193 -27.197 1.00 75.51 O ATOM 732 CB THR A 49 -1.893 13.996 -27.383 1.00 13.11 C ATOM 733 OG1 THR A 49 -1.314 13.603 -26.141 1.00 51.35 O ATOM 734 CG2 THR A 49 -2.515 12.710 -27.929 1.00 63.01 C ATOM 0 H THR A 49 0.425 13.186 -27.000 1.00 35.11 H new ATOM 0 HA THR A 49 -0.984 14.431 -29.268 1.00 64.22 H new ATOM 0 HB THR A 49 -2.650 14.780 -27.354 1.00 13.11 H new ATOM 0 HG1 THR A 49 -1.854 13.955 -25.403 1.00 51.35 H new ATOM 0 HG21 THR A 49 -3.357 12.418 -27.301 1.00 63.01 H new ATOM 0 HG22 THR A 49 -2.864 12.879 -28.948 1.00 63.01 H new ATOM 0 HG23 THR A 49 -1.769 11.916 -27.928 1.00 63.01 H new ATOM 742 N ALA A 50 -1.049 16.827 -28.579 1.00 24.34 N ATOM 743 CA ALA A 50 -0.793 18.249 -28.419 1.00 24.32 C ATOM 744 C ALA A 50 -1.140 18.666 -26.989 1.00 54.32 C ATOM 745 O ALA A 50 -0.815 19.774 -26.566 1.00 62.11 O ATOM 746 CB ALA A 50 -1.589 19.031 -29.465 1.00 42.13 C ATOM 0 H ALA A 50 -1.825 16.601 -29.202 1.00 24.34 H new ATOM 0 HA ALA A 50 0.262 18.471 -28.580 1.00 24.32 H new ATOM 0 HB1 ALA A 50 -1.397 20.097 -29.346 1.00 42.13 H new ATOM 0 HB2 ALA A 50 -1.284 18.717 -30.463 1.00 42.13 H new ATOM 0 HB3 ALA A 50 -2.653 18.836 -29.333 1.00 42.13 H new ATOM 752 N ALA A 51 -1.796 17.756 -26.283 1.00 13.53 N ATOM 753 CA ALA A 51 -2.191 18.017 -24.908 1.00 20.33 C ATOM 754 C ALA A 51 -1.161 17.397 -23.960 1.00 71.23 C ATOM 755 O ALA A 51 -1.165 17.680 -22.764 1.00 42.11 O ATOM 756 CB ALA A 51 -3.602 17.476 -24.671 1.00 31.52 C ATOM 0 H ALA A 51 -2.064 16.838 -26.637 1.00 13.53 H new ATOM 0 HA ALA A 51 -2.216 19.089 -24.712 1.00 20.33 H new ATOM 0 HB1 ALA A 51 -3.898 17.671 -23.640 1.00 31.52 H new ATOM 0 HB2 ALA A 51 -4.299 17.969 -25.349 1.00 31.52 H new ATOM 0 HB3 ALA A 51 -3.615 16.402 -24.855 1.00 31.52 H new ATOM 762 N ASN A 52 -0.306 16.563 -24.532 1.00 33.55 N ATOM 763 CA ASN A 52 0.727 15.900 -23.753 1.00 3.30 C ATOM 764 C ASN A 52 1.757 16.935 -23.295 1.00 32.21 C ATOM 765 O ASN A 52 1.874 17.214 -22.103 1.00 0.33 O ATOM 766 CB ASN A 52 1.456 14.845 -24.588 1.00 62.11 C ATOM 767 CG ASN A 52 2.703 14.337 -23.862 1.00 74.35 C ATOM 768 OD1 ASN A 52 3.733 14.067 -24.457 1.00 73.55 O ATOM 769 ND2 ASN A 52 2.552 14.222 -22.545 1.00 24.25 N ATOM 0 H ASN A 52 -0.307 16.331 -25.525 1.00 33.55 H new ATOM 0 HA ASN A 52 0.249 15.417 -22.901 1.00 3.30 H new ATOM 0 HB2 ASN A 52 0.785 14.011 -24.793 1.00 62.11 H new ATOM 0 HB3 ASN A 52 1.739 15.270 -25.551 1.00 62.11 H new ATOM 0 HD21 ASN A 52 3.326 13.890 -21.970 1.00 24.25 H new ATOM 0 HD22 ASN A 52 1.662 14.465 -22.111 1.00 24.25 H new ATOM 776 N LYS A 53 2.477 17.476 -24.267 1.00 51.52 N ATOM 777 CA LYS A 53 3.493 18.475 -23.978 1.00 63.12 C ATOM 778 C LYS A 53 2.832 19.701 -23.348 1.00 71.04 C ATOM 779 O LYS A 53 3.464 20.426 -22.580 1.00 34.03 O ATOM 780 CB LYS A 53 4.305 18.791 -25.236 1.00 51.14 C ATOM 781 CG LYS A 53 4.570 17.524 -26.052 1.00 72.33 C ATOM 782 CD LYS A 53 3.651 17.457 -27.274 1.00 61.33 C ATOM 783 CE LYS A 53 4.306 18.118 -28.488 1.00 25.12 C ATOM 784 NZ LYS A 53 5.044 19.334 -28.081 1.00 11.21 N1+ ATOM 0 H LYS A 53 2.377 17.242 -25.255 1.00 51.52 H new ATOM 0 HA LYS A 53 4.210 18.092 -23.252 1.00 63.12 H new ATOM 0 HB2 LYS A 53 3.767 19.515 -25.848 1.00 51.14 H new ATOM 0 HB3 LYS A 53 5.252 19.252 -24.955 1.00 51.14 H new ATOM 0 HG2 LYS A 53 5.611 17.506 -26.374 1.00 72.33 H new ATOM 0 HG3 LYS A 53 4.414 16.645 -25.427 1.00 72.33 H new ATOM 0 HD2 LYS A 53 3.419 16.417 -27.503 1.00 61.33 H new ATOM 0 HD3 LYS A 53 2.706 17.953 -27.051 1.00 61.33 H new ATOM 0 HE2 LYS A 53 4.987 17.416 -28.968 1.00 25.12 H new ATOM 0 HE3 LYS A 53 3.544 18.377 -29.224 1.00 25.12 H new ATOM 0 HZ1 LYS A 53 5.411 19.817 -28.926 1.00 11.21 H new ATOM 0 HZ2 LYS A 53 4.404 19.973 -27.568 1.00 11.21 H new ATOM 0 HZ3 LYS A 53 5.837 19.068 -27.462 1.00 11.21 H new ATOM 797 N ASN A 54 1.568 19.897 -23.694 1.00 23.11 N ATOM 798 CA ASN A 54 0.815 21.024 -23.172 1.00 62.43 C ATOM 799 C ASN A 54 0.987 21.087 -21.653 1.00 74.05 C ATOM 800 O ASN A 54 1.028 22.172 -21.074 1.00 24.23 O ATOM 801 CB ASN A 54 -0.678 20.875 -23.472 1.00 40.12 C ATOM 802 CG ASN A 54 -1.407 22.209 -23.301 1.00 73.51 C ATOM 803 OD1 ASN A 54 -1.426 22.804 -22.235 1.00 23.41 O ATOM 804 ND2 ASN A 54 -2.005 22.646 -24.406 1.00 32.23 N ATOM 0 H ASN A 54 1.046 19.294 -24.330 1.00 23.11 H new ATOM 0 HA ASN A 54 1.190 21.930 -23.648 1.00 62.43 H new ATOM 0 HB2 ASN A 54 -0.813 20.510 -24.490 1.00 40.12 H new ATOM 0 HB3 ASN A 54 -1.114 20.130 -22.806 1.00 40.12 H new ATOM 0 HD21 ASN A 54 -2.518 23.528 -24.394 1.00 32.23 H new ATOM 0 HD22 ASN A 54 -1.951 22.100 -25.266 1.00 32.23 H new ATOM 811 N LYS A 55 1.084 19.911 -21.051 1.00 72.24 N ATOM 812 CA LYS A 55 1.251 19.819 -19.611 1.00 1.14 C ATOM 813 C LYS A 55 2.465 20.648 -19.188 1.00 53.42 C ATOM 814 O LYS A 55 2.316 21.761 -18.684 1.00 12.22 O ATOM 815 CB LYS A 55 1.324 18.355 -19.173 1.00 73.04 C ATOM 816 CG LYS A 55 -0.070 17.725 -19.129 1.00 64.50 C ATOM 817 CD LYS A 55 -0.952 18.417 -18.088 1.00 75.50 C ATOM 818 CE LYS A 55 -0.181 18.655 -16.787 1.00 64.34 C ATOM 819 NZ LYS A 55 0.526 19.954 -16.834 1.00 3.42 N1+ ATOM 0 H LYS A 55 1.050 19.014 -21.535 1.00 72.24 H new ATOM 0 HA LYS A 55 0.385 20.239 -19.100 1.00 1.14 H new ATOM 0 HB2 LYS A 55 1.958 17.797 -19.862 1.00 73.04 H new ATOM 0 HB3 LYS A 55 1.788 18.289 -18.189 1.00 73.04 H new ATOM 0 HG2 LYS A 55 -0.537 17.797 -20.112 1.00 64.50 H new ATOM 0 HG3 LYS A 55 0.014 16.664 -18.893 1.00 64.50 H new ATOM 0 HD2 LYS A 55 -1.309 19.368 -18.483 1.00 75.50 H new ATOM 0 HD3 LYS A 55 -1.832 17.805 -17.887 1.00 75.50 H new ATOM 0 HE2 LYS A 55 -0.869 18.639 -15.942 1.00 64.34 H new ATOM 0 HE3 LYS A 55 0.536 17.849 -16.630 1.00 64.34 H new ATOM 0 HZ1 LYS A 55 0.442 20.429 -15.912 1.00 3.42 H new ATOM 0 HZ2 LYS A 55 1.531 19.795 -17.051 1.00 3.42 H new ATOM 0 HZ3 LYS A 55 0.103 20.553 -17.572 1.00 3.42 H new ATOM 832 N GLY A 56 3.639 20.077 -19.410 1.00 41.10 N ATOM 833 CA GLY A 56 4.878 20.749 -19.059 1.00 23.55 C ATOM 834 C GLY A 56 5.107 20.722 -17.545 1.00 73.03 C ATOM 835 O GLY A 56 5.258 21.768 -16.918 1.00 71.12 O ATOM 0 H GLY A 56 3.759 19.155 -19.829 1.00 41.10 H new ATOM 0 HA2 GLY A 56 5.714 20.266 -19.565 1.00 23.55 H new ATOM 0 HA3 GLY A 56 4.847 21.781 -19.407 1.00 23.55 H new ATOM 839 N ILE A 57 5.125 19.512 -17.004 1.00 34.25 N ATOM 840 CA ILE A 57 5.333 19.335 -15.577 1.00 4.20 C ATOM 841 C ILE A 57 6.354 18.219 -15.349 1.00 44.42 C ATOM 842 O ILE A 57 6.904 17.673 -16.305 1.00 10.04 O ATOM 843 CB ILE A 57 3.998 19.101 -14.865 1.00 10.34 C ATOM 844 CG1 ILE A 57 3.141 18.088 -15.628 1.00 23.30 C ATOM 845 CG2 ILE A 57 3.259 20.422 -14.639 1.00 35.13 C ATOM 846 CD1 ILE A 57 3.674 16.666 -15.438 1.00 51.13 C ATOM 0 H ILE A 57 4.999 18.646 -17.528 1.00 34.25 H new ATOM 0 HA ILE A 57 5.748 20.242 -15.138 1.00 4.20 H new ATOM 0 HB ILE A 57 4.204 18.675 -13.883 1.00 10.34 H new ATOM 0 HG12 ILE A 57 2.110 18.143 -15.280 1.00 23.30 H new ATOM 0 HG13 ILE A 57 3.133 18.339 -16.689 1.00 23.30 H new ATOM 0 HG21 ILE A 57 2.314 20.228 -14.132 1.00 35.13 H new ATOM 0 HG22 ILE A 57 3.872 21.081 -14.025 1.00 35.13 H new ATOM 0 HG23 ILE A 57 3.064 20.899 -15.600 1.00 35.13 H new ATOM 0 HD11 ILE A 57 3.047 15.966 -15.990 1.00 51.13 H new ATOM 0 HD12 ILE A 57 4.697 16.608 -15.809 1.00 51.13 H new ATOM 0 HD13 ILE A 57 3.658 16.410 -14.379 1.00 51.13 H new ATOM 858 N ILE A 58 6.578 17.915 -14.080 1.00 31.21 N ATOM 859 CA ILE A 58 7.524 16.873 -13.715 1.00 43.43 C ATOM 860 C ILE A 58 6.765 15.688 -13.115 1.00 60.14 C ATOM 861 O ILE A 58 6.283 15.763 -11.985 1.00 21.20 O ATOM 862 CB ILE A 58 8.611 17.436 -12.797 1.00 45.12 C ATOM 863 CG1 ILE A 58 9.275 18.665 -13.423 1.00 53.42 C ATOM 864 CG2 ILE A 58 9.633 16.356 -12.433 1.00 60.01 C ATOM 865 CD1 ILE A 58 9.809 18.348 -14.821 1.00 11.43 C ATOM 0 H ILE A 58 6.121 18.372 -13.291 1.00 31.21 H new ATOM 0 HA ILE A 58 8.044 16.503 -14.599 1.00 43.43 H new ATOM 0 HB ILE A 58 8.141 17.762 -11.869 1.00 45.12 H new ATOM 0 HG12 ILE A 58 8.555 19.481 -13.481 1.00 53.42 H new ATOM 0 HG13 ILE A 58 10.092 19.005 -12.786 1.00 53.42 H new ATOM 0 HG21 ILE A 58 10.395 16.781 -11.780 1.00 60.01 H new ATOM 0 HG22 ILE A 58 9.130 15.538 -11.918 1.00 60.01 H new ATOM 0 HG23 ILE A 58 10.103 15.979 -13.341 1.00 60.01 H new ATOM 0 HD11 ILE A 58 10.276 19.238 -15.243 1.00 11.43 H new ATOM 0 HD12 ILE A 58 10.546 17.548 -14.756 1.00 11.43 H new ATOM 0 HD13 ILE A 58 8.986 18.032 -15.462 1.00 11.43 H new ATOM 877 N TRP A 59 6.683 14.622 -13.896 1.00 42.03 N ATOM 878 CA TRP A 59 5.990 13.423 -13.456 1.00 53.42 C ATOM 879 C TRP A 59 6.673 12.924 -12.181 1.00 35.14 C ATOM 880 O TRP A 59 7.877 13.108 -12.004 1.00 11.40 O ATOM 881 CB TRP A 59 5.956 12.370 -14.567 1.00 61.43 C ATOM 882 CG TRP A 59 5.134 12.783 -15.790 1.00 4.33 C ATOM 883 CD1 TRP A 59 5.552 12.929 -17.053 1.00 71.34 C ATOM 884 CD2 TRP A 59 3.725 13.097 -15.812 1.00 13.24 C ATOM 885 NE1 TRP A 59 4.520 13.313 -17.887 1.00 20.21 N ATOM 886 CE2 TRP A 59 3.374 13.419 -17.106 1.00 13.32 C ATOM 887 CE3 TRP A 59 2.779 13.108 -14.771 1.00 30.40 C ATOM 888 CZ2 TRP A 59 2.073 13.775 -17.482 1.00 41.54 C ATOM 889 CZ3 TRP A 59 1.484 13.467 -15.164 1.00 15.13 C ATOM 890 CH2 TRP A 59 1.114 13.794 -16.463 1.00 21.05 C ATOM 0 H TRP A 59 7.085 14.563 -14.832 1.00 42.03 H new ATOM 0 HA TRP A 59 4.946 13.642 -13.230 1.00 53.42 H new ATOM 0 HB2 TRP A 59 6.977 12.157 -14.883 1.00 61.43 H new ATOM 0 HB3 TRP A 59 5.548 11.444 -14.163 1.00 61.43 H new ATOM 0 HD1 TRP A 59 6.569 12.767 -17.379 1.00 71.34 H new ATOM 0 HE1 TRP A 59 4.586 13.487 -18.890 1.00 20.21 H new ATOM 0 HE3 TRP A 59 3.031 12.860 -13.751 1.00 30.40 H new ATOM 0 HZ2 TRP A 59 1.823 14.022 -18.503 1.00 41.54 H new ATOM 0 HZ3 TRP A 59 0.718 13.492 -14.403 1.00 15.13 H new ATOM 0 HH2 TRP A 59 0.091 14.061 -16.685 1.00 21.05 H new ATOM 901 N GLY A 60 5.875 12.303 -11.325 1.00 53.12 N ATOM 902 CA GLY A 60 6.388 11.777 -10.071 1.00 65.12 C ATOM 903 C GLY A 60 5.277 11.096 -9.268 1.00 54.35 C ATOM 904 O GLY A 60 4.535 10.274 -9.802 1.00 52.13 O ATOM 0 H GLY A 60 4.877 12.152 -11.475 1.00 53.12 H new ATOM 0 HA2 GLY A 60 7.187 11.063 -10.271 1.00 65.12 H new ATOM 0 HA3 GLY A 60 6.823 12.586 -9.484 1.00 65.12 H new ATOM 908 N GLU A 61 5.200 11.463 -7.997 1.00 1.21 N ATOM 909 CA GLU A 61 4.192 10.899 -7.115 1.00 74.52 C ATOM 910 C GLU A 61 2.917 11.741 -7.158 1.00 21.13 C ATOM 911 O GLU A 61 1.881 11.281 -7.634 1.00 72.12 O ATOM 912 CB GLU A 61 4.722 10.779 -5.685 1.00 44.23 C ATOM 913 CG GLU A 61 5.842 9.739 -5.600 1.00 1.31 C ATOM 914 CD GLU A 61 6.840 10.096 -4.496 1.00 23.15 C ATOM 915 OE1 GLU A 61 7.096 9.275 -3.603 1.00 64.15 O ATOM 916 OE2 GLU A 61 7.356 11.275 -4.587 1.00 43.33 O1- ATOM 0 H GLU A 61 5.819 12.144 -7.557 1.00 1.21 H new ATOM 0 HA GLU A 61 3.952 9.895 -7.465 1.00 74.52 H new ATOM 0 HB2 GLU A 61 5.094 11.747 -5.349 1.00 44.23 H new ATOM 0 HB3 GLU A 61 3.909 10.499 -5.015 1.00 44.23 H new ATOM 0 HG2 GLU A 61 5.415 8.755 -5.405 1.00 1.31 H new ATOM 0 HG3 GLU A 61 6.360 9.678 -6.557 1.00 1.31 H new ATOM 924 N ASP A 62 3.034 12.961 -6.654 1.00 52.34 N ATOM 925 CA ASP A 62 1.902 13.872 -6.629 1.00 22.22 C ATOM 926 C ASP A 62 1.376 14.064 -8.053 1.00 44.15 C ATOM 927 O ASP A 62 0.204 13.810 -8.325 1.00 22.13 O ATOM 928 CB ASP A 62 2.310 15.243 -6.087 1.00 1.41 C ATOM 929 CG ASP A 62 2.676 15.268 -4.601 1.00 52.20 C ATOM 930 OD1 ASP A 62 3.463 14.438 -4.124 1.00 2.01 O ATOM 931 OD2 ASP A 62 2.109 16.202 -3.916 1.00 21.24 O1- ATOM 0 H ASP A 62 3.895 13.340 -6.260 1.00 52.34 H new ATOM 0 HA ASP A 62 1.137 13.442 -5.982 1.00 22.22 H new ATOM 0 HB2 ASP A 62 3.162 15.605 -6.662 1.00 1.41 H new ATOM 0 HB3 ASP A 62 1.491 15.942 -6.256 1.00 1.41 H new ATOM 937 N THR A 63 2.268 14.513 -8.924 1.00 72.52 N ATOM 938 CA THR A 63 1.909 14.742 -10.313 1.00 21.51 C ATOM 939 C THR A 63 0.964 13.646 -10.807 1.00 21.32 C ATOM 940 O THR A 63 0.047 13.914 -11.583 1.00 40.52 O ATOM 941 CB THR A 63 3.202 14.841 -11.125 1.00 0.41 C ATOM 942 OG1 THR A 63 4.052 13.854 -10.548 1.00 52.45 O ATOM 943 CG2 THR A 63 3.943 16.158 -10.887 1.00 31.44 C ATOM 0 H THR A 63 3.239 14.724 -8.694 1.00 72.52 H new ATOM 0 HA THR A 63 1.361 15.677 -10.431 1.00 21.51 H new ATOM 0 HB THR A 63 2.973 14.740 -12.186 1.00 0.41 H new ATOM 0 HG1 THR A 63 4.870 14.280 -10.216 1.00 52.45 H new ATOM 0 HG21 THR A 63 4.853 16.177 -11.487 1.00 31.44 H new ATOM 0 HG22 THR A 63 3.303 16.993 -11.173 1.00 31.44 H new ATOM 0 HG23 THR A 63 4.202 16.244 -9.832 1.00 31.44 H new ATOM 951 N LEU A 64 1.219 12.433 -10.339 1.00 13.22 N ATOM 952 CA LEU A 64 0.402 11.295 -10.723 1.00 63.53 C ATOM 953 C LEU A 64 -0.893 11.302 -9.907 1.00 64.34 C ATOM 954 O LEU A 64 -1.982 11.411 -10.467 1.00 55.10 O ATOM 955 CB LEU A 64 1.200 9.995 -10.598 1.00 44.42 C ATOM 956 CG LEU A 64 1.959 9.550 -11.850 1.00 60.21 C ATOM 957 CD1 LEU A 64 3.119 10.500 -12.154 1.00 64.04 C ATOM 958 CD2 LEU A 64 2.425 8.099 -11.721 1.00 52.11 C ATOM 0 H LEU A 64 1.981 12.214 -9.697 1.00 13.22 H new ATOM 0 HA LEU A 64 0.118 11.368 -11.773 1.00 63.53 H new ATOM 0 HB2 LEU A 64 1.916 10.109 -9.784 1.00 44.42 H new ATOM 0 HB3 LEU A 64 0.515 9.198 -10.310 1.00 44.42 H new ATOM 0 HG LEU A 64 1.276 9.595 -12.698 1.00 60.21 H new ATOM 0 HD11 LEU A 64 3.642 10.161 -13.048 1.00 64.04 H new ATOM 0 HD12 LEU A 64 2.732 11.506 -12.319 1.00 64.04 H new ATOM 0 HD13 LEU A 64 3.811 10.511 -11.312 1.00 64.04 H new ATOM 0 HD21 LEU A 64 2.962 7.808 -12.624 1.00 52.11 H new ATOM 0 HD22 LEU A 64 3.086 8.004 -10.859 1.00 52.11 H new ATOM 0 HD23 LEU A 64 1.560 7.450 -11.588 1.00 52.11 H new ATOM 970 N MET A 65 -0.730 11.186 -8.598 1.00 33.24 N ATOM 971 CA MET A 65 -1.873 11.178 -7.700 1.00 54.13 C ATOM 972 C MET A 65 -2.902 12.232 -8.113 1.00 25.33 C ATOM 973 O MET A 65 -4.093 12.078 -7.848 1.00 22.02 O ATOM 974 CB MET A 65 -1.401 11.458 -6.272 1.00 42.51 C ATOM 975 CG MET A 65 -2.343 10.821 -5.248 1.00 50.02 C ATOM 976 SD MET A 65 -1.436 10.374 -3.778 1.00 13.13 S ATOM 977 CE MET A 65 -1.377 8.601 -3.977 1.00 15.21 C ATOM 0 H MET A 65 0.176 11.097 -8.137 1.00 33.24 H new ATOM 0 HA MET A 65 -2.345 10.197 -7.751 1.00 54.13 H new ATOM 0 HB2 MET A 65 -0.392 11.068 -6.136 1.00 42.51 H new ATOM 0 HB3 MET A 65 -1.352 12.534 -6.106 1.00 42.51 H new ATOM 0 HG2 MET A 65 -3.142 11.518 -4.994 1.00 50.02 H new ATOM 0 HG3 MET A 65 -2.815 9.937 -5.677 1.00 50.02 H new ATOM 0 HE1 MET A 65 -0.841 8.158 -3.138 1.00 15.21 H new ATOM 0 HE2 MET A 65 -2.392 8.204 -4.009 1.00 15.21 H new ATOM 0 HE3 MET A 65 -0.863 8.356 -4.906 1.00 15.21 H new ATOM 987 N GLU A 66 -2.405 13.278 -8.755 1.00 74.14 N ATOM 988 CA GLU A 66 -3.267 14.357 -9.208 1.00 73.33 C ATOM 989 C GLU A 66 -3.767 14.078 -10.626 1.00 2.43 C ATOM 990 O GLU A 66 -4.926 14.340 -10.943 1.00 72.31 O ATOM 991 CB GLU A 66 -2.543 15.703 -9.137 1.00 53.20 C ATOM 992 CG GLU A 66 -3.535 16.847 -8.911 1.00 12.14 C ATOM 993 CD GLU A 66 -4.387 16.595 -7.664 1.00 45.11 C ATOM 994 OE1 GLU A 66 -5.620 16.501 -7.765 1.00 41.11 O ATOM 995 OE2 GLU A 66 -3.725 16.495 -6.563 1.00 22.52 O1- ATOM 0 H GLU A 66 -1.416 13.402 -8.973 1.00 74.14 H new ATOM 0 HA GLU A 66 -4.130 14.410 -8.544 1.00 73.33 H new ATOM 0 HB2 GLU A 66 -1.812 15.685 -8.328 1.00 53.20 H new ATOM 0 HB3 GLU A 66 -1.991 15.873 -10.061 1.00 53.20 H new ATOM 0 HG2 GLU A 66 -2.993 17.787 -8.802 1.00 12.14 H new ATOM 0 HG3 GLU A 66 -4.181 16.951 -9.783 1.00 12.14 H new ATOM 1003 N TYR A 67 -2.867 13.548 -11.443 1.00 23.00 N ATOM 1004 CA TYR A 67 -3.203 13.230 -12.821 1.00 3.25 C ATOM 1005 C TYR A 67 -4.139 12.021 -12.892 1.00 54.14 C ATOM 1006 O TYR A 67 -5.269 12.134 -13.364 1.00 20.25 O ATOM 1007 CB TYR A 67 -1.881 12.878 -13.506 1.00 71.14 C ATOM 1008 CG TYR A 67 -2.045 12.289 -14.909 1.00 24.31 C ATOM 1009 CD1 TYR A 67 -2.740 12.990 -15.875 1.00 40.42 C ATOM 1010 CD2 TYR A 67 -1.498 11.058 -15.208 1.00 64.21 C ATOM 1011 CE1 TYR A 67 -2.894 12.436 -17.194 1.00 20.05 C ATOM 1012 CE2 TYR A 67 -1.652 10.504 -16.529 1.00 44.34 C ATOM 1013 CZ TYR A 67 -2.343 11.220 -17.456 1.00 2.03 C ATOM 1014 OH TYR A 67 -2.489 10.696 -18.703 1.00 60.35 O ATOM 0 H TYR A 67 -1.906 13.331 -11.177 1.00 23.00 H new ATOM 0 HA TYR A 67 -3.710 14.070 -13.297 1.00 3.25 H new ATOM 0 HB2 TYR A 67 -1.266 13.776 -13.569 1.00 71.14 H new ATOM 0 HB3 TYR A 67 -1.340 12.164 -12.884 1.00 71.14 H new ATOM 0 HD1 TYR A 67 -3.168 13.954 -15.640 1.00 40.42 H new ATOM 0 HD2 TYR A 67 -0.955 10.510 -14.452 1.00 64.21 H new ATOM 0 HE1 TYR A 67 -3.435 12.973 -17.959 1.00 20.05 H new ATOM 0 HE2 TYR A 67 -1.228 9.542 -16.777 1.00 44.34 H new ATOM 0 HH TYR A 67 -2.288 9.737 -18.681 1.00 60.35 H new ATOM 1024 N LEU A 68 -3.632 10.893 -12.418 1.00 23.24 N ATOM 1025 CA LEU A 68 -4.409 9.664 -12.422 1.00 1.14 C ATOM 1026 C LEU A 68 -5.854 9.978 -12.033 1.00 70.03 C ATOM 1027 O LEU A 68 -6.791 9.497 -12.668 1.00 54.01 O ATOM 1028 CB LEU A 68 -3.747 8.610 -11.532 1.00 71.15 C ATOM 1029 CG LEU A 68 -2.436 8.018 -12.054 1.00 40.05 C ATOM 1030 CD1 LEU A 68 -2.101 6.710 -11.337 1.00 22.43 C ATOM 1031 CD2 LEU A 68 -2.479 7.844 -13.573 1.00 54.34 C ATOM 0 H LEU A 68 -2.693 10.803 -12.029 1.00 23.24 H new ATOM 0 HA LEU A 68 -4.435 9.232 -13.423 1.00 1.14 H new ATOM 0 HB2 LEU A 68 -3.558 9.055 -10.555 1.00 71.15 H new ATOM 0 HB3 LEU A 68 -4.455 7.795 -11.380 1.00 71.15 H new ATOM 0 HG LEU A 68 -1.633 8.721 -11.833 1.00 40.05 H new ATOM 0 HD11 LEU A 68 -1.165 6.311 -11.727 1.00 22.43 H new ATOM 0 HD12 LEU A 68 -1.998 6.897 -10.268 1.00 22.43 H new ATOM 0 HD13 LEU A 68 -2.901 5.988 -11.504 1.00 22.43 H new ATOM 0 HD21 LEU A 68 -1.535 7.422 -13.918 1.00 54.34 H new ATOM 0 HD22 LEU A 68 -3.296 7.173 -13.839 1.00 54.34 H new ATOM 0 HD23 LEU A 68 -2.637 8.813 -14.046 1.00 54.34 H new ATOM 1043 N GLU A 69 -5.991 10.784 -10.990 1.00 20.13 N ATOM 1044 CA GLU A 69 -7.307 11.169 -10.508 1.00 44.21 C ATOM 1045 C GLU A 69 -8.204 11.572 -11.680 1.00 21.20 C ATOM 1046 O GLU A 69 -9.178 10.886 -11.987 1.00 32.34 O ATOM 1047 CB GLU A 69 -7.207 12.297 -9.480 1.00 23.33 C ATOM 1048 CG GLU A 69 -8.559 12.991 -9.295 1.00 33.31 C ATOM 1049 CD GLU A 69 -8.459 14.116 -8.263 1.00 75.21 C ATOM 1050 OE1 GLU A 69 -8.179 13.854 -7.084 1.00 44.32 O ATOM 1051 OE2 GLU A 69 -8.683 15.300 -8.725 1.00 54.32 O1- ATOM 0 H GLU A 69 -5.212 11.181 -10.465 1.00 20.13 H new ATOM 0 HA GLU A 69 -7.756 10.309 -10.011 1.00 44.21 H new ATOM 0 HB2 GLU A 69 -6.867 11.895 -8.526 1.00 23.33 H new ATOM 0 HB3 GLU A 69 -6.462 13.024 -9.804 1.00 23.33 H new ATOM 0 HG2 GLU A 69 -8.898 13.396 -10.249 1.00 33.31 H new ATOM 0 HG3 GLU A 69 -9.305 12.264 -8.975 1.00 33.31 H new ATOM 1059 N ASN A 70 -7.844 12.685 -12.304 1.00 12.20 N ATOM 1060 CA ASN A 70 -8.604 13.188 -13.435 1.00 10.35 C ATOM 1061 C ASN A 70 -7.640 13.597 -14.550 1.00 50.13 C ATOM 1062 O ASN A 70 -7.251 14.760 -14.646 1.00 4.21 O ATOM 1063 CB ASN A 70 -9.424 14.420 -13.044 1.00 54.31 C ATOM 1064 CG ASN A 70 -10.759 14.449 -13.791 1.00 33.25 C ATOM 1065 OD1 ASN A 70 -10.695 13.979 -15.033 1.00 62.01 O flip ATOM 1066 ND2 ASN A 70 -11.780 14.871 -13.272 1.00 64.01 N flip ATOM 0 H ASN A 70 -7.036 13.252 -12.047 1.00 12.20 H new ATOM 0 HA ASN A 70 -9.277 12.397 -13.767 1.00 10.35 H new ATOM 0 HB2 ASN A 70 -9.605 14.415 -11.969 1.00 54.31 H new ATOM 0 HB3 ASN A 70 -8.858 15.324 -13.268 1.00 54.31 H new ATOM 0 HD21 ASN A 70 -11.759 15.218 -12.313 1.00 64.01 H new ATOM 0 HD22 ASN A 70 -12.654 14.877 -13.797 1.00 64.01 H new ATOM 1073 N PRO A 71 -7.270 12.591 -15.388 1.00 2.03 N ATOM 1074 CA PRO A 71 -6.359 12.834 -16.493 1.00 62.33 C ATOM 1075 C PRO A 71 -7.063 13.572 -17.633 1.00 21.13 C ATOM 1076 O PRO A 71 -6.414 14.220 -18.454 1.00 13.34 O ATOM 1077 CB PRO A 71 -5.855 11.458 -16.897 1.00 51.50 C ATOM 1078 CG PRO A 71 -6.849 10.464 -16.319 1.00 20.32 C ATOM 1079 CD PRO A 71 -7.709 11.201 -15.306 1.00 43.43 C ATOM 0 HA PRO A 71 -5.528 13.483 -16.218 1.00 62.33 H new ATOM 0 HB2 PRO A 71 -5.797 11.366 -17.982 1.00 51.50 H new ATOM 0 HB3 PRO A 71 -4.853 11.279 -16.508 1.00 51.50 H new ATOM 0 HG2 PRO A 71 -7.469 10.040 -17.109 1.00 20.32 H new ATOM 0 HG3 PRO A 71 -6.326 9.634 -15.844 1.00 20.32 H new ATOM 0 HD2 PRO A 71 -8.769 11.106 -15.543 1.00 43.43 H new ATOM 0 HD3 PRO A 71 -7.569 10.800 -14.302 1.00 43.43 H new ATOM 1087 N LYS A 72 -8.383 13.450 -17.649 1.00 52.22 N ATOM 1088 CA LYS A 72 -9.182 14.098 -18.675 1.00 43.01 C ATOM 1089 C LYS A 72 -9.034 15.615 -18.549 1.00 54.30 C ATOM 1090 O LYS A 72 -8.997 16.324 -19.554 1.00 52.53 O ATOM 1091 CB LYS A 72 -10.632 13.614 -18.608 1.00 3.34 C ATOM 1092 CG LYS A 72 -11.587 14.664 -19.181 1.00 13.21 C ATOM 1093 CD LYS A 72 -12.721 14.002 -19.966 1.00 21.22 C ATOM 1094 CE LYS A 72 -12.200 13.378 -21.262 1.00 74.53 C ATOM 1095 NZ LYS A 72 -12.316 14.339 -22.382 1.00 65.43 N1+ ATOM 0 H LYS A 72 -8.919 12.912 -16.968 1.00 52.22 H new ATOM 0 HA LYS A 72 -8.823 13.824 -19.667 1.00 43.01 H new ATOM 0 HB2 LYS A 72 -10.734 12.682 -19.164 1.00 3.34 H new ATOM 0 HB3 LYS A 72 -10.900 13.399 -17.574 1.00 3.34 H new ATOM 0 HG2 LYS A 72 -12.002 15.264 -18.371 1.00 13.21 H new ATOM 0 HG3 LYS A 72 -11.038 15.344 -19.832 1.00 13.21 H new ATOM 0 HD2 LYS A 72 -13.193 13.234 -19.353 1.00 21.22 H new ATOM 0 HD3 LYS A 72 -13.488 14.741 -20.197 1.00 21.22 H new ATOM 0 HE2 LYS A 72 -11.159 13.080 -21.137 1.00 74.53 H new ATOM 0 HE3 LYS A 72 -12.765 12.474 -21.490 1.00 74.53 H new ATOM 0 HZ1 LYS A 72 -11.958 13.900 -23.254 1.00 65.43 H new ATOM 0 HZ2 LYS A 72 -13.314 14.603 -22.511 1.00 65.43 H new ATOM 0 HZ3 LYS A 72 -11.758 15.190 -22.168 1.00 65.43 H new ATOM 1108 N LYS A 73 -8.953 16.070 -17.307 1.00 54.43 N ATOM 1109 CA LYS A 73 -8.808 17.490 -17.037 1.00 14.10 C ATOM 1110 C LYS A 73 -7.327 17.867 -17.091 1.00 65.14 C ATOM 1111 O LYS A 73 -6.946 18.803 -17.793 1.00 73.42 O ATOM 1112 CB LYS A 73 -9.488 17.855 -15.716 1.00 44.31 C ATOM 1113 CG LYS A 73 -10.960 18.213 -15.937 1.00 44.45 C ATOM 1114 CD LYS A 73 -11.683 17.106 -16.708 1.00 21.13 C ATOM 1115 CE LYS A 73 -13.194 17.175 -16.477 1.00 32.30 C ATOM 1116 NZ LYS A 73 -13.543 16.602 -15.158 1.00 11.51 N1+ ATOM 0 H LYS A 73 -8.985 15.479 -16.476 1.00 54.43 H new ATOM 0 HA LYS A 73 -9.314 18.077 -17.803 1.00 14.10 H new ATOM 0 HB2 LYS A 73 -9.414 17.018 -15.021 1.00 44.31 H new ATOM 0 HB3 LYS A 73 -8.970 18.697 -15.257 1.00 44.31 H new ATOM 0 HG2 LYS A 73 -11.448 18.370 -14.975 1.00 44.45 H new ATOM 0 HG3 LYS A 73 -11.031 19.151 -16.488 1.00 44.45 H new ATOM 0 HD2 LYS A 73 -11.469 17.200 -17.773 1.00 21.13 H new ATOM 0 HD3 LYS A 73 -11.307 16.133 -16.392 1.00 21.13 H new ATOM 0 HE2 LYS A 73 -13.529 18.211 -16.530 1.00 32.30 H new ATOM 0 HE3 LYS A 73 -13.714 16.631 -17.266 1.00 32.30 H new ATOM 0 HZ1 LYS A 73 -14.422 17.037 -14.812 1.00 11.51 H new ATOM 0 HZ2 LYS A 73 -13.678 15.575 -15.250 1.00 11.51 H new ATOM 0 HZ3 LYS A 73 -12.774 16.790 -14.483 1.00 11.51 H new ATOM 1129 N TYR A 74 -6.531 17.120 -16.341 1.00 0.35 N ATOM 1130 CA TYR A 74 -5.099 17.364 -16.296 1.00 13.35 C ATOM 1131 C TYR A 74 -4.532 17.568 -17.702 1.00 21.32 C ATOM 1132 O TYR A 74 -3.888 18.580 -17.974 1.00 50.24 O ATOM 1133 CB TYR A 74 -4.476 16.106 -15.685 1.00 41.13 C ATOM 1134 CG TYR A 74 -3.132 16.350 -14.995 1.00 75.44 C ATOM 1135 CD1 TYR A 74 -3.094 16.941 -13.748 1.00 25.24 C ATOM 1136 CD2 TYR A 74 -1.959 15.980 -15.620 1.00 53.12 C ATOM 1137 CE1 TYR A 74 -1.829 17.170 -13.099 1.00 2.04 C ATOM 1138 CE2 TYR A 74 -0.694 16.209 -14.971 1.00 44.42 C ATOM 1139 CZ TYR A 74 -0.692 16.793 -13.743 1.00 54.11 C ATOM 1140 OH TYR A 74 0.504 17.010 -13.130 1.00 35.30 O ATOM 0 H TYR A 74 -6.850 16.345 -15.759 1.00 0.35 H new ATOM 0 HA TYR A 74 -4.881 18.262 -15.718 1.00 13.35 H new ATOM 0 HB2 TYR A 74 -5.173 15.682 -14.962 1.00 41.13 H new ATOM 0 HB3 TYR A 74 -4.340 15.362 -16.470 1.00 41.13 H new ATOM 0 HD1 TYR A 74 -4.012 17.231 -13.259 1.00 25.24 H new ATOM 0 HD2 TYR A 74 -1.989 15.519 -16.596 1.00 53.12 H new ATOM 0 HE1 TYR A 74 -1.784 17.631 -12.123 1.00 2.04 H new ATOM 0 HE2 TYR A 74 0.232 15.924 -15.449 1.00 44.42 H new ATOM 0 HH TYR A 74 1.230 16.690 -13.706 1.00 35.30 H new ATOM 1150 N ILE A 75 -4.792 16.590 -18.558 1.00 53.34 N ATOM 1151 CA ILE A 75 -4.316 16.650 -19.929 1.00 45.04 C ATOM 1152 C ILE A 75 -5.514 16.725 -20.878 1.00 31.42 C ATOM 1153 O ILE A 75 -6.025 15.698 -21.320 1.00 1.32 O ATOM 1154 CB ILE A 75 -3.373 15.481 -20.220 1.00 12.32 C ATOM 1155 CG1 ILE A 75 -2.515 15.151 -18.998 1.00 74.51 C ATOM 1156 CG2 ILE A 75 -2.520 15.759 -21.460 1.00 35.11 C ATOM 1157 CD1 ILE A 75 -1.643 13.920 -19.254 1.00 44.21 C ATOM 0 H ILE A 75 -5.326 15.752 -18.328 1.00 53.34 H new ATOM 0 HA ILE A 75 -3.726 17.553 -20.088 1.00 45.04 H new ATOM 0 HB ILE A 75 -3.978 14.601 -20.436 1.00 12.32 H new ATOM 0 HG12 ILE A 75 -1.882 16.004 -18.753 1.00 74.51 H new ATOM 0 HG13 ILE A 75 -3.158 14.972 -18.136 1.00 74.51 H new ATOM 0 HG21 ILE A 75 -1.859 14.912 -21.644 1.00 35.11 H new ATOM 0 HG22 ILE A 75 -3.170 15.907 -22.323 1.00 35.11 H new ATOM 0 HG23 ILE A 75 -1.923 16.657 -21.297 1.00 35.11 H new ATOM 0 HD11 ILE A 75 -1.043 13.708 -18.369 1.00 44.21 H new ATOM 0 HD12 ILE A 75 -2.279 13.063 -19.475 1.00 44.21 H new ATOM 0 HD13 ILE A 75 -0.984 14.111 -20.101 1.00 44.21 H new ATOM 1169 N PRO A 76 -5.939 17.984 -21.169 1.00 61.33 N ATOM 1170 CA PRO A 76 -7.067 18.206 -22.057 1.00 71.30 C ATOM 1171 C PRO A 76 -6.673 17.964 -23.516 1.00 33.42 C ATOM 1172 O PRO A 76 -6.008 18.798 -24.129 1.00 1.33 O ATOM 1173 CB PRO A 76 -7.503 19.637 -21.790 1.00 24.03 C ATOM 1174 CG PRO A 76 -6.323 20.311 -21.107 1.00 10.34 C ATOM 1175 CD PRO A 76 -5.358 19.224 -20.663 1.00 71.25 C ATOM 0 HA PRO A 76 -7.888 17.513 -21.874 1.00 71.30 H new ATOM 0 HB2 PRO A 76 -7.760 20.147 -22.718 1.00 24.03 H new ATOM 0 HB3 PRO A 76 -8.389 19.664 -21.156 1.00 24.03 H new ATOM 0 HG2 PRO A 76 -5.831 21.003 -21.791 1.00 10.34 H new ATOM 0 HG3 PRO A 76 -6.660 20.895 -20.251 1.00 10.34 H new ATOM 0 HD2 PRO A 76 -4.361 19.389 -21.070 1.00 71.25 H new ATOM 0 HD3 PRO A 76 -5.259 19.201 -19.578 1.00 71.25 H new ATOM 1183 N GLY A 77 -7.100 16.819 -24.029 1.00 72.13 N ATOM 1184 CA GLY A 77 -6.801 16.458 -25.403 1.00 33.14 C ATOM 1185 C GLY A 77 -6.119 15.089 -25.474 1.00 34.12 C ATOM 1186 O GLY A 77 -5.772 14.620 -26.556 1.00 30.24 O ATOM 0 H GLY A 77 -7.651 16.130 -23.517 1.00 72.13 H new ATOM 0 HA2 GLY A 77 -7.721 16.441 -25.987 1.00 33.14 H new ATOM 0 HA3 GLY A 77 -6.155 17.214 -25.849 1.00 33.14 H new ATOM 1190 N THR A 78 -5.949 14.487 -24.306 1.00 72.54 N ATOM 1191 CA THR A 78 -5.316 13.182 -24.222 1.00 22.21 C ATOM 1192 C THR A 78 -6.305 12.082 -24.615 1.00 2.52 C ATOM 1193 O THR A 78 -7.498 12.188 -24.336 1.00 4.33 O ATOM 1194 CB THR A 78 -4.757 13.019 -22.807 1.00 14.31 C ATOM 1195 OG1 THR A 78 -4.166 11.721 -22.815 1.00 2.22 O ATOM 1196 CG2 THR A 78 -5.859 12.919 -21.750 1.00 64.23 C ATOM 0 H THR A 78 -6.239 14.879 -23.410 1.00 72.54 H new ATOM 0 HA THR A 78 -4.489 13.098 -24.927 1.00 22.21 H new ATOM 0 HB THR A 78 -4.106 13.862 -22.575 1.00 14.31 H new ATOM 0 HG1 THR A 78 -3.978 11.441 -21.895 1.00 2.22 H new ATOM 0 HG21 THR A 78 -5.408 12.805 -20.764 1.00 64.23 H new ATOM 0 HG22 THR A 78 -6.465 13.825 -21.769 1.00 64.23 H new ATOM 0 HG23 THR A 78 -6.490 12.056 -21.963 1.00 64.23 H new ATOM 1204 N LYS A 79 -5.771 11.054 -25.257 1.00 44.33 N ATOM 1205 CA LYS A 79 -6.592 9.936 -25.692 1.00 42.52 C ATOM 1206 C LYS A 79 -6.728 8.932 -24.547 1.00 41.14 C ATOM 1207 O LYS A 79 -7.562 8.031 -24.602 1.00 0.42 O ATOM 1208 CB LYS A 79 -6.030 9.328 -26.979 1.00 10.55 C ATOM 1209 CG LYS A 79 -4.688 8.640 -26.720 1.00 62.22 C ATOM 1210 CD LYS A 79 -3.912 8.445 -28.024 1.00 44.22 C ATOM 1211 CE LYS A 79 -3.084 9.685 -28.360 1.00 74.45 C ATOM 1212 NZ LYS A 79 -3.872 10.626 -29.187 1.00 73.00 N1+ ATOM 0 H LYS A 79 -4.781 10.971 -25.487 1.00 44.33 H new ATOM 0 HA LYS A 79 -7.598 10.276 -25.939 1.00 42.52 H new ATOM 0 HB2 LYS A 79 -6.740 8.607 -27.385 1.00 10.55 H new ATOM 0 HB3 LYS A 79 -5.904 10.109 -27.729 1.00 10.55 H new ATOM 0 HG2 LYS A 79 -4.097 9.238 -26.026 1.00 62.22 H new ATOM 0 HG3 LYS A 79 -4.856 7.674 -26.245 1.00 62.22 H new ATOM 0 HD2 LYS A 79 -3.256 7.579 -27.935 1.00 44.22 H new ATOM 0 HD3 LYS A 79 -4.607 8.236 -28.837 1.00 44.22 H new ATOM 0 HE2 LYS A 79 -2.766 10.177 -27.441 1.00 74.45 H new ATOM 0 HE3 LYS A 79 -2.180 9.392 -28.894 1.00 74.45 H new ATOM 0 HZ1 LYS A 79 -3.233 11.161 -29.809 1.00 73.00 H new ATOM 0 HZ2 LYS A 79 -4.553 10.094 -29.765 1.00 73.00 H new ATOM 0 HZ3 LYS A 79 -4.385 11.286 -28.568 1.00 73.00 H new ATOM 1225 N MET A 80 -5.895 9.123 -23.533 1.00 72.20 N ATOM 1226 CA MET A 80 -5.912 8.245 -22.376 1.00 50.41 C ATOM 1227 C MET A 80 -7.248 8.339 -21.635 1.00 72.11 C ATOM 1228 O MET A 80 -7.412 9.174 -20.748 1.00 14.12 O ATOM 1229 CB MET A 80 -4.775 8.630 -21.427 1.00 3.55 C ATOM 1230 CG MET A 80 -4.771 7.736 -20.185 1.00 30.15 C ATOM 1231 SD MET A 80 -3.304 8.043 -19.215 1.00 1.13 S ATOM 1232 CE MET A 80 -4.037 8.246 -17.600 1.00 62.42 C ATOM 0 H MET A 80 -5.205 9.873 -23.490 1.00 72.20 H new ATOM 0 HA MET A 80 -5.780 7.219 -22.720 1.00 50.41 H new ATOM 0 HB2 MET A 80 -3.820 8.544 -21.945 1.00 3.55 H new ATOM 0 HB3 MET A 80 -4.883 9.673 -21.129 1.00 3.55 H new ATOM 0 HG2 MET A 80 -5.660 7.929 -19.585 1.00 30.15 H new ATOM 0 HG3 MET A 80 -4.808 6.688 -20.481 1.00 30.15 H new ATOM 0 HE1 MET A 80 -3.267 8.144 -16.835 1.00 62.42 H new ATOM 0 HE2 MET A 80 -4.491 9.234 -17.528 1.00 62.42 H new ATOM 0 HE3 MET A 80 -4.801 7.483 -17.449 1.00 62.42 H new ATOM 1242 N ILE A 81 -8.168 7.472 -22.029 1.00 13.21 N ATOM 1243 CA ILE A 81 -9.485 7.446 -21.414 1.00 23.44 C ATOM 1244 C ILE A 81 -9.473 6.473 -20.234 1.00 45.24 C ATOM 1245 O ILE A 81 -10.031 5.381 -20.320 1.00 72.32 O ATOM 1246 CB ILE A 81 -10.558 7.132 -22.460 1.00 15.12 C ATOM 1247 CG1 ILE A 81 -10.518 8.143 -23.607 1.00 34.32 C ATOM 1248 CG2 ILE A 81 -11.943 7.052 -21.815 1.00 72.31 C ATOM 1249 CD1 ILE A 81 -10.257 9.557 -23.085 1.00 54.13 C ATOM 0 H ILE A 81 -8.028 6.782 -22.767 1.00 13.21 H new ATOM 0 HA ILE A 81 -9.739 8.428 -21.015 1.00 23.44 H new ATOM 0 HB ILE A 81 -10.343 6.152 -22.887 1.00 15.12 H new ATOM 0 HG12 ILE A 81 -9.738 7.864 -24.315 1.00 34.32 H new ATOM 0 HG13 ILE A 81 -11.463 8.121 -24.149 1.00 34.32 H new ATOM 0 HG21 ILE A 81 -12.688 6.828 -22.579 1.00 72.31 H new ATOM 0 HG22 ILE A 81 -11.948 6.265 -21.061 1.00 72.31 H new ATOM 0 HG23 ILE A 81 -12.181 8.006 -21.345 1.00 72.31 H new ATOM 0 HD11 ILE A 81 -10.234 10.255 -23.922 1.00 54.13 H new ATOM 0 HD12 ILE A 81 -11.052 9.843 -22.396 1.00 54.13 H new ATOM 0 HD13 ILE A 81 -9.299 9.582 -22.565 1.00 54.13 H new ATOM 1261 N PHE A 82 -8.829 6.904 -19.159 1.00 75.01 N ATOM 1262 CA PHE A 82 -8.737 6.085 -17.963 1.00 45.32 C ATOM 1263 C PHE A 82 -9.898 6.375 -17.008 1.00 15.33 C ATOM 1264 O PHE A 82 -10.026 7.489 -16.504 1.00 42.22 O ATOM 1265 CB PHE A 82 -7.421 6.448 -17.272 1.00 14.43 C ATOM 1266 CG PHE A 82 -7.175 5.693 -15.965 1.00 45.43 C ATOM 1267 CD1 PHE A 82 -7.580 4.401 -15.839 1.00 71.04 C ATOM 1268 CD2 PHE A 82 -6.552 6.314 -14.927 1.00 11.34 C ATOM 1269 CE1 PHE A 82 -7.353 3.700 -14.625 1.00 71.25 C ATOM 1270 CE2 PHE A 82 -6.325 5.613 -13.714 1.00 13.13 C ATOM 1271 CZ PHE A 82 -6.730 4.321 -13.589 1.00 22.42 C ATOM 0 H PHE A 82 -8.366 7.810 -19.092 1.00 75.01 H new ATOM 0 HA PHE A 82 -8.778 5.029 -18.232 1.00 45.32 H new ATOM 0 HB2 PHE A 82 -6.596 6.248 -17.956 1.00 14.43 H new ATOM 0 HB3 PHE A 82 -7.413 7.519 -17.068 1.00 14.43 H new ATOM 0 HD1 PHE A 82 -8.075 3.908 -16.663 1.00 71.04 H new ATOM 0 HD2 PHE A 82 -6.230 7.340 -15.026 1.00 11.34 H new ATOM 0 HE1 PHE A 82 -7.675 2.674 -14.525 1.00 71.25 H new ATOM 0 HE2 PHE A 82 -5.830 6.106 -12.890 1.00 13.13 H new ATOM 0 HZ PHE A 82 -6.556 3.788 -12.666 1.00 22.42 H new ATOM 1281 N VAL A 83 -10.712 5.354 -16.792 1.00 43.41 N ATOM 1282 CA VAL A 83 -11.858 5.485 -15.907 1.00 44.03 C ATOM 1283 C VAL A 83 -11.454 6.294 -14.673 1.00 4.21 C ATOM 1284 O VAL A 83 -12.281 6.987 -14.083 1.00 54.11 O ATOM 1285 CB VAL A 83 -12.412 4.101 -15.559 1.00 25.21 C ATOM 1286 CG1 VAL A 83 -12.989 3.416 -16.800 1.00 45.31 C ATOM 1287 CG2 VAL A 83 -11.341 3.232 -14.900 1.00 35.41 C ATOM 0 H VAL A 83 -10.602 4.432 -17.214 1.00 43.41 H new ATOM 0 HA VAL A 83 -12.663 6.028 -16.403 1.00 44.03 H new ATOM 0 HB VAL A 83 -13.222 4.233 -14.842 1.00 25.21 H new ATOM 0 HG11 VAL A 83 -13.376 2.434 -16.527 1.00 45.31 H new ATOM 0 HG12 VAL A 83 -13.796 4.024 -17.209 1.00 45.31 H new ATOM 0 HG13 VAL A 83 -12.206 3.301 -17.550 1.00 45.31 H new ATOM 0 HG21 VAL A 83 -11.761 2.254 -14.663 1.00 35.41 H new ATOM 0 HG22 VAL A 83 -10.500 3.110 -15.583 1.00 35.41 H new ATOM 0 HG23 VAL A 83 -10.997 3.711 -13.983 1.00 35.41 H new ATOM 1297 N GLY A 84 -10.182 6.178 -14.320 1.00 4.04 N ATOM 1298 CA GLY A 84 -9.658 6.890 -13.167 1.00 52.24 C ATOM 1299 C GLY A 84 -9.788 6.048 -11.896 1.00 70.24 C ATOM 1300 O GLY A 84 -10.223 4.899 -11.952 1.00 15.11 O ATOM 0 H GLY A 84 -9.499 5.602 -14.812 1.00 4.04 H new ATOM 0 HA2 GLY A 84 -8.611 7.141 -13.335 1.00 52.24 H new ATOM 0 HA3 GLY A 84 -10.195 7.830 -13.041 1.00 52.24 H new ATOM 1304 N ILE A 85 -9.402 6.652 -10.782 1.00 33.41 N ATOM 1305 CA ILE A 85 -9.471 5.972 -9.500 1.00 44.34 C ATOM 1306 C ILE A 85 -9.853 6.978 -8.412 1.00 34.42 C ATOM 1307 O ILE A 85 -9.395 8.119 -8.430 1.00 13.31 O ATOM 1308 CB ILE A 85 -8.163 5.229 -9.218 1.00 61.04 C ATOM 1309 CG1 ILE A 85 -7.811 4.283 -10.368 1.00 21.04 C ATOM 1310 CG2 ILE A 85 -8.225 4.500 -7.874 1.00 53.31 C ATOM 1311 CD1 ILE A 85 -6.448 3.627 -10.139 1.00 62.43 C ATOM 0 H ILE A 85 -9.040 7.605 -10.741 1.00 33.41 H new ATOM 0 HA ILE A 85 -10.249 5.209 -9.515 1.00 44.34 H new ATOM 0 HB ILE A 85 -7.361 5.964 -9.149 1.00 61.04 H new ATOM 0 HG12 ILE A 85 -8.578 3.514 -10.459 1.00 21.04 H new ATOM 0 HG13 ILE A 85 -7.800 4.835 -11.308 1.00 21.04 H new ATOM 0 HG21 ILE A 85 -7.283 3.980 -7.698 1.00 53.31 H new ATOM 0 HG22 ILE A 85 -8.395 5.222 -7.076 1.00 53.31 H new ATOM 0 HG23 ILE A 85 -9.041 3.777 -7.889 1.00 53.31 H new ATOM 0 HD11 ILE A 85 -6.221 2.959 -10.970 1.00 62.43 H new ATOM 0 HD12 ILE A 85 -5.680 4.398 -10.072 1.00 62.43 H new ATOM 0 HD13 ILE A 85 -6.470 3.056 -9.211 1.00 62.43 H new ATOM 1323 N LYS A 86 -10.689 6.518 -7.494 1.00 65.04 N ATOM 1324 CA LYS A 86 -11.138 7.364 -6.401 1.00 4.54 C ATOM 1325 C LYS A 86 -10.508 6.880 -5.094 1.00 23.40 C ATOM 1326 O LYS A 86 -10.222 7.680 -4.205 1.00 42.24 O ATOM 1327 CB LYS A 86 -12.667 7.422 -6.361 1.00 51.42 C ATOM 1328 CG LYS A 86 -13.158 8.061 -5.061 1.00 2.32 C ATOM 1329 CD LYS A 86 -13.299 7.013 -3.954 1.00 43.02 C ATOM 1330 CE LYS A 86 -14.340 7.445 -2.920 1.00 63.30 C ATOM 1331 NZ LYS A 86 -14.287 6.564 -1.732 1.00 13.13 N1+ ATOM 0 H LYS A 86 -11.067 5.571 -7.484 1.00 65.04 H new ATOM 0 HA LYS A 86 -10.806 8.391 -6.554 1.00 4.54 H new ATOM 0 HB2 LYS A 86 -13.035 7.994 -7.213 1.00 51.42 H new ATOM 0 HB3 LYS A 86 -13.075 6.415 -6.452 1.00 51.42 H new ATOM 0 HG2 LYS A 86 -12.459 8.836 -4.746 1.00 2.32 H new ATOM 0 HG3 LYS A 86 -14.119 8.547 -5.231 1.00 2.32 H new ATOM 0 HD2 LYS A 86 -13.588 6.056 -4.389 1.00 43.02 H new ATOM 0 HD3 LYS A 86 -12.336 6.863 -3.465 1.00 43.02 H new ATOM 0 HE2 LYS A 86 -14.159 8.478 -2.623 1.00 63.30 H new ATOM 0 HE3 LYS A 86 -15.336 7.410 -3.362 1.00 63.30 H new ATOM 0 HZ1 LYS A 86 -15.000 6.871 -1.040 1.00 13.13 H new ATOM 0 HZ2 LYS A 86 -14.482 5.583 -2.018 1.00 13.13 H new ATOM 0 HZ3 LYS A 86 -13.342 6.618 -1.302 1.00 13.13 H new ATOM 1344 N LYS A 87 -10.310 5.573 -5.018 1.00 14.22 N ATOM 1345 CA LYS A 87 -9.718 4.972 -3.836 1.00 74.32 C ATOM 1346 C LYS A 87 -8.224 5.300 -3.794 1.00 52.11 C ATOM 1347 O LYS A 87 -7.489 4.983 -4.729 1.00 61.33 O ATOM 1348 CB LYS A 87 -10.019 3.472 -3.788 1.00 24.34 C ATOM 1349 CG LYS A 87 -11.517 3.220 -3.599 1.00 3.32 C ATOM 1350 CD LYS A 87 -11.900 1.816 -4.072 1.00 34.24 C ATOM 1351 CE LYS A 87 -13.387 1.546 -3.837 1.00 64.11 C ATOM 1352 NZ LYS A 87 -13.693 1.554 -2.389 1.00 73.24 N1+ ATOM 0 H LYS A 87 -10.550 4.912 -5.757 1.00 14.22 H new ATOM 0 HA LYS A 87 -10.162 5.392 -2.934 1.00 74.32 H new ATOM 0 HB2 LYS A 87 -9.680 3.000 -4.710 1.00 24.34 H new ATOM 0 HB3 LYS A 87 -9.463 3.012 -2.971 1.00 24.34 H new ATOM 0 HG2 LYS A 87 -11.780 3.338 -2.548 1.00 3.32 H new ATOM 0 HG3 LYS A 87 -12.088 3.964 -4.155 1.00 3.32 H new ATOM 0 HD2 LYS A 87 -11.671 1.710 -5.132 1.00 34.24 H new ATOM 0 HD3 LYS A 87 -11.304 1.074 -3.541 1.00 34.24 H new ATOM 0 HE2 LYS A 87 -13.985 2.303 -4.345 1.00 64.11 H new ATOM 0 HE3 LYS A 87 -13.660 0.582 -4.267 1.00 64.11 H new ATOM 0 HZ1 LYS A 87 -14.620 1.111 -2.228 1.00 73.24 H new ATOM 0 HZ2 LYS A 87 -12.961 1.022 -1.877 1.00 73.24 H new ATOM 0 HZ3 LYS A 87 -13.713 2.535 -2.044 1.00 73.24 H new ATOM 1365 N LYS A 88 -7.819 5.933 -2.704 1.00 3.10 N ATOM 1366 CA LYS A 88 -6.427 6.307 -2.528 1.00 50.44 C ATOM 1367 C LYS A 88 -5.605 5.061 -2.195 1.00 62.35 C ATOM 1368 O LYS A 88 -4.512 4.872 -2.728 1.00 5.43 O ATOM 1369 CB LYS A 88 -6.298 7.424 -1.490 1.00 32.15 C ATOM 1370 CG LYS A 88 -4.861 7.943 -1.418 1.00 53.14 C ATOM 1371 CD LYS A 88 -4.638 8.766 -0.148 1.00 21.14 C ATOM 1372 CE LYS A 88 -5.611 9.946 -0.083 1.00 11.43 C ATOM 1373 NZ LYS A 88 -5.170 10.925 0.937 1.00 32.04 N1+ ATOM 0 H LYS A 88 -8.432 6.197 -1.932 1.00 3.10 H new ATOM 0 HA LYS A 88 -6.024 6.716 -3.454 1.00 50.44 H new ATOM 0 HB2 LYS A 88 -6.971 8.242 -1.746 1.00 32.15 H new ATOM 0 HB3 LYS A 88 -6.604 7.053 -0.512 1.00 32.15 H new ATOM 0 HG2 LYS A 88 -4.166 7.104 -1.438 1.00 53.14 H new ATOM 0 HG3 LYS A 88 -4.647 8.555 -2.294 1.00 53.14 H new ATOM 0 HD2 LYS A 88 -4.770 8.132 0.729 1.00 21.14 H new ATOM 0 HD3 LYS A 88 -3.612 9.134 -0.124 1.00 21.14 H new ATOM 0 HE2 LYS A 88 -5.671 10.430 -1.058 1.00 11.43 H new ATOM 0 HE3 LYS A 88 -6.612 9.587 0.157 1.00 11.43 H new ATOM 0 HZ1 LYS A 88 -5.841 11.719 0.969 1.00 32.04 H new ATOM 0 HZ2 LYS A 88 -5.135 10.464 1.869 1.00 32.04 H new ATOM 0 HZ3 LYS A 88 -4.224 11.280 0.691 1.00 32.04 H new ATOM 1386 N GLU A 89 -6.162 4.242 -1.315 1.00 24.00 N ATOM 1387 CA GLU A 89 -5.495 3.017 -0.904 1.00 53.30 C ATOM 1388 C GLU A 89 -5.103 2.190 -2.129 1.00 33.12 C ATOM 1389 O GLU A 89 -4.157 1.405 -2.077 1.00 21.33 O ATOM 1390 CB GLU A 89 -6.376 2.206 0.046 1.00 23.22 C ATOM 1391 CG GLU A 89 -7.609 1.661 -0.678 1.00 22.23 C ATOM 1392 CD GLU A 89 -8.250 0.519 0.114 1.00 40.42 C ATOM 1393 OE1 GLU A 89 -7.584 -0.486 0.403 1.00 70.43 O ATOM 1394 OE2 GLU A 89 -9.487 0.703 0.431 1.00 40.44 O1- ATOM 0 H GLU A 89 -7.068 4.402 -0.875 1.00 24.00 H new ATOM 0 HA GLU A 89 -4.586 3.284 -0.365 1.00 53.30 H new ATOM 0 HB2 GLU A 89 -5.801 1.380 0.464 1.00 23.22 H new ATOM 0 HB3 GLU A 89 -6.688 2.832 0.882 1.00 23.22 H new ATOM 0 HG2 GLU A 89 -8.335 2.462 -0.821 1.00 22.23 H new ATOM 0 HG3 GLU A 89 -7.326 1.307 -1.669 1.00 22.23 H new ATOM 1402 N GLU A 90 -5.850 2.393 -3.205 1.00 72.24 N ATOM 1403 CA GLU A 90 -5.592 1.675 -4.442 1.00 0.45 C ATOM 1404 C GLU A 90 -4.627 2.469 -5.325 1.00 42.01 C ATOM 1405 O GLU A 90 -3.473 2.079 -5.497 1.00 73.10 O ATOM 1406 CB GLU A 90 -6.896 1.375 -5.184 1.00 22.42 C ATOM 1407 CG GLU A 90 -7.478 0.029 -4.750 1.00 43.23 C ATOM 1408 CD GLU A 90 -6.572 -1.125 -5.185 1.00 20.55 C ATOM 1409 OE1 GLU A 90 -5.549 -1.390 -4.536 1.00 5.43 O ATOM 1410 OE2 GLU A 90 -6.963 -1.758 -6.239 1.00 12.21 O1- ATOM 0 H GLU A 90 -6.634 3.044 -3.246 1.00 72.24 H new ATOM 0 HA GLU A 90 -5.126 0.721 -4.196 1.00 0.45 H new ATOM 0 HB2 GLU A 90 -7.619 2.167 -4.990 1.00 22.42 H new ATOM 0 HB3 GLU A 90 -6.713 1.366 -6.259 1.00 22.42 H new ATOM 0 HG2 GLU A 90 -7.599 0.013 -3.667 1.00 43.23 H new ATOM 0 HG3 GLU A 90 -8.470 -0.099 -5.183 1.00 43.23 H new ATOM 1418 N ARG A 91 -5.137 3.567 -5.864 1.00 31.04 N ATOM 1419 CA ARG A 91 -4.335 4.419 -6.725 1.00 55.13 C ATOM 1420 C ARG A 91 -2.905 4.521 -6.190 1.00 34.33 C ATOM 1421 O ARG A 91 -1.951 4.564 -6.964 1.00 24.42 O ATOM 1422 CB ARG A 91 -4.936 5.823 -6.825 1.00 21.11 C ATOM 1423 CG ARG A 91 -4.786 6.384 -8.240 1.00 71.31 C ATOM 1424 CD ARG A 91 -5.263 7.837 -8.307 1.00 2.23 C ATOM 1425 NE ARG A 91 -4.940 8.534 -7.043 1.00 24.12 N ATOM 1426 CZ ARG A 91 -5.747 8.551 -5.961 1.00 72.21 C ATOM 1427 NH1 ARG A 91 -6.935 7.909 -5.982 1.00 52.41 N ATOM 1428 NH2 ARG A 91 -5.359 9.207 -4.883 1.00 72.51 N1+ ATOM 0 H ARG A 91 -6.095 3.886 -5.721 1.00 31.04 H new ATOM 0 HA ARG A 91 -4.323 3.969 -7.718 1.00 55.13 H new ATOM 0 HB2 ARG A 91 -5.991 5.791 -6.553 1.00 21.11 H new ATOM 0 HB3 ARG A 91 -4.443 6.485 -6.113 1.00 21.11 H new ATOM 0 HG2 ARG A 91 -3.743 6.325 -8.550 1.00 71.31 H new ATOM 0 HG3 ARG A 91 -5.361 5.776 -8.939 1.00 71.31 H new ATOM 0 HD2 ARG A 91 -4.787 8.346 -9.145 1.00 2.23 H new ATOM 0 HD3 ARG A 91 -6.338 7.868 -8.484 1.00 2.23 H new ATOM 0 HE ARG A 91 -4.052 9.033 -6.985 1.00 24.12 H new ATOM 0 HH11 ARG A 91 -7.228 7.406 -6.820 1.00 52.41 H new ATOM 0 HH12 ARG A 91 -7.539 7.927 -5.160 1.00 52.41 H new ATOM 0 HH21 ARG A 91 -4.461 9.691 -4.876 1.00 72.51 H new ATOM 0 HH22 ARG A 91 -5.957 9.230 -4.057 1.00 72.51 H new ATOM 1441 N ALA A 92 -2.803 4.556 -4.869 1.00 44.03 N ATOM 1442 CA ALA A 92 -1.506 4.652 -4.221 1.00 4.24 C ATOM 1443 C ALA A 92 -0.644 3.458 -4.637 1.00 44.10 C ATOM 1444 O ALA A 92 0.473 3.634 -5.124 1.00 25.42 O ATOM 1445 CB ALA A 92 -1.697 4.733 -2.706 1.00 24.15 C ATOM 0 H ALA A 92 -3.597 4.520 -4.230 1.00 44.03 H new ATOM 0 HA ALA A 92 -0.987 5.558 -4.533 1.00 4.24 H new ATOM 0 HB1 ALA A 92 -0.724 4.805 -2.220 1.00 24.15 H new ATOM 0 HB2 ALA A 92 -2.291 5.613 -2.461 1.00 24.15 H new ATOM 0 HB3 ALA A 92 -2.212 3.838 -2.356 1.00 24.15 H new ATOM 1451 N ASP A 93 -1.194 2.271 -4.431 1.00 13.32 N ATOM 1452 CA ASP A 93 -0.490 1.048 -4.778 1.00 41.32 C ATOM 1453 C ASP A 93 -0.166 1.059 -6.274 1.00 30.23 C ATOM 1454 O ASP A 93 0.970 0.801 -6.669 1.00 20.11 O ATOM 1455 CB ASP A 93 -1.349 -0.183 -4.490 1.00 51.12 C ATOM 1456 CG ASP A 93 -1.723 -0.381 -3.020 1.00 14.42 C ATOM 1457 OD1 ASP A 93 -1.742 0.576 -2.231 1.00 11.21 O ATOM 1458 OD2 ASP A 93 -2.008 -1.594 -2.688 1.00 61.21 O1- ATOM 0 H ASP A 93 -2.120 2.130 -4.028 1.00 13.32 H new ATOM 0 HA ASP A 93 0.419 1.001 -4.179 1.00 41.32 H new ATOM 0 HB2 ASP A 93 -2.265 -0.113 -5.076 1.00 51.12 H new ATOM 0 HB3 ASP A 93 -0.816 -1.068 -4.836 1.00 51.12 H new ATOM 1464 N LEU A 94 -1.185 1.361 -7.066 1.00 1.20 N ATOM 1465 CA LEU A 94 -1.023 1.409 -8.509 1.00 74.05 C ATOM 1466 C LEU A 94 0.318 2.061 -8.846 1.00 42.32 C ATOM 1467 O LEU A 94 1.035 1.595 -9.731 1.00 60.31 O ATOM 1468 CB LEU A 94 -2.224 2.098 -9.160 1.00 54.11 C ATOM 1469 CG LEU A 94 -2.392 1.873 -10.664 1.00 72.20 C ATOM 1470 CD1 LEU A 94 -1.056 1.509 -11.316 1.00 35.13 C ATOM 1471 CD2 LEU A 94 -3.470 0.824 -10.944 1.00 30.44 C ATOM 0 H LEU A 94 -2.126 1.575 -6.735 1.00 1.20 H new ATOM 0 HA LEU A 94 -1.000 0.401 -8.924 1.00 74.05 H new ATOM 0 HB2 LEU A 94 -3.129 1.757 -8.658 1.00 54.11 H new ATOM 0 HB3 LEU A 94 -2.144 3.170 -8.980 1.00 54.11 H new ATOM 0 HG LEU A 94 -2.727 2.808 -11.114 1.00 72.20 H new ATOM 0 HD11 LEU A 94 -1.203 1.354 -12.385 1.00 35.13 H new ATOM 0 HD12 LEU A 94 -0.343 2.319 -11.161 1.00 35.13 H new ATOM 0 HD13 LEU A 94 -0.669 0.594 -10.867 1.00 35.13 H new ATOM 0 HD21 LEU A 94 -3.570 0.683 -12.020 1.00 30.44 H new ATOM 0 HD22 LEU A 94 -3.188 -0.121 -10.479 1.00 30.44 H new ATOM 0 HD23 LEU A 94 -4.421 1.161 -10.533 1.00 30.44 H new ATOM 1483 N ILE A 95 0.619 3.130 -8.122 1.00 14.42 N ATOM 1484 CA ILE A 95 1.862 3.851 -8.334 1.00 64.13 C ATOM 1485 C ILE A 95 3.011 3.085 -7.674 1.00 4.02 C ATOM 1486 O ILE A 95 4.049 2.861 -8.294 1.00 25.25 O ATOM 1487 CB ILE A 95 1.732 5.297 -7.850 1.00 34.32 C ATOM 1488 CG1 ILE A 95 0.757 6.083 -8.731 1.00 4.41 C ATOM 1489 CG2 ILE A 95 3.101 5.973 -7.766 1.00 33.12 C ATOM 1490 CD1 ILE A 95 0.639 7.533 -8.257 1.00 42.01 C ATOM 0 H ILE A 95 0.023 3.514 -7.388 1.00 14.42 H new ATOM 0 HA ILE A 95 2.088 3.913 -9.398 1.00 64.13 H new ATOM 0 HB ILE A 95 1.318 5.284 -6.842 1.00 34.32 H new ATOM 0 HG12 ILE A 95 1.098 6.061 -9.766 1.00 4.41 H new ATOM 0 HG13 ILE A 95 -0.224 5.608 -8.708 1.00 4.41 H new ATOM 0 HG21 ILE A 95 2.979 6.999 -7.420 1.00 33.12 H new ATOM 0 HG22 ILE A 95 3.734 5.427 -7.067 1.00 33.12 H new ATOM 0 HG23 ILE A 95 3.567 5.976 -8.752 1.00 33.12 H new ATOM 0 HD11 ILE A 95 -0.059 8.070 -8.899 1.00 42.01 H new ATOM 0 HD12 ILE A 95 0.275 7.552 -7.230 1.00 42.01 H new ATOM 0 HD13 ILE A 95 1.617 8.012 -8.304 1.00 42.01 H new ATOM 1502 N ALA A 96 2.785 2.703 -6.426 1.00 33.14 N ATOM 1503 CA ALA A 96 3.788 1.965 -5.676 1.00 12.15 C ATOM 1504 C ALA A 96 4.432 0.918 -6.586 1.00 53.11 C ATOM 1505 O ALA A 96 5.654 0.777 -6.609 1.00 25.00 O ATOM 1506 CB ALA A 96 3.143 1.342 -4.436 1.00 44.52 C ATOM 0 H ALA A 96 1.922 2.890 -5.915 1.00 33.14 H new ATOM 0 HA ALA A 96 4.578 2.633 -5.332 1.00 12.15 H new ATOM 0 HB1 ALA A 96 3.895 0.789 -3.874 1.00 44.52 H new ATOM 0 HB2 ALA A 96 2.727 2.130 -3.808 1.00 44.52 H new ATOM 0 HB3 ALA A 96 2.347 0.663 -4.742 1.00 44.52 H new ATOM 1512 N TYR A 97 3.582 0.211 -7.316 1.00 1.44 N ATOM 1513 CA TYR A 97 4.052 -0.819 -8.226 1.00 62.31 C ATOM 1514 C TYR A 97 5.101 -0.260 -9.191 1.00 21.40 C ATOM 1515 O TYR A 97 6.151 -0.868 -9.391 1.00 22.13 O ATOM 1516 CB TYR A 97 2.828 -1.266 -9.027 1.00 54.22 C ATOM 1517 CG TYR A 97 3.166 -1.924 -10.366 1.00 33.23 C ATOM 1518 CD1 TYR A 97 3.820 -3.139 -10.392 1.00 70.44 C ATOM 1519 CD2 TYR A 97 2.818 -1.301 -11.547 1.00 73.34 C ATOM 1520 CE1 TYR A 97 4.138 -3.757 -11.653 1.00 61.32 C ATOM 1521 CE2 TYR A 97 3.136 -1.919 -12.808 1.00 72.22 C ATOM 1522 CZ TYR A 97 3.781 -3.117 -12.799 1.00 14.22 C ATOM 1523 OH TYR A 97 4.081 -3.701 -13.990 1.00 3.20 O ATOM 0 H TYR A 97 2.569 0.332 -7.296 1.00 1.44 H new ATOM 0 HA TYR A 97 4.512 -1.638 -7.673 1.00 62.31 H new ATOM 0 HB2 TYR A 97 2.249 -1.967 -8.425 1.00 54.22 H new ATOM 0 HB3 TYR A 97 2.191 -0.401 -9.210 1.00 54.22 H new ATOM 0 HD1 TYR A 97 4.093 -3.626 -9.467 1.00 70.44 H new ATOM 0 HD2 TYR A 97 2.307 -0.350 -11.526 1.00 73.34 H new ATOM 0 HE1 TYR A 97 4.649 -4.708 -11.688 1.00 61.32 H new ATOM 0 HE2 TYR A 97 2.869 -1.443 -13.740 1.00 72.22 H new ATOM 0 HH TYR A 97 3.411 -3.446 -14.658 1.00 3.20 H new ATOM 1533 N LEU A 98 4.779 0.891 -9.762 1.00 55.30 N ATOM 1534 CA LEU A 98 5.680 1.539 -10.700 1.00 10.43 C ATOM 1535 C LEU A 98 7.022 1.800 -10.015 1.00 50.54 C ATOM 1536 O LEU A 98 8.079 1.604 -10.614 1.00 71.33 O ATOM 1537 CB LEU A 98 5.032 2.796 -11.284 1.00 25.13 C ATOM 1538 CG LEU A 98 3.806 2.569 -12.171 1.00 4.11 C ATOM 1539 CD1 LEU A 98 3.090 3.888 -12.464 1.00 43.25 C ATOM 1540 CD2 LEU A 98 4.187 1.826 -13.453 1.00 11.03 C ATOM 0 H LEU A 98 3.907 1.392 -9.593 1.00 55.30 H new ATOM 0 HA LEU A 98 5.878 0.886 -11.550 1.00 10.43 H new ATOM 0 HB2 LEU A 98 4.744 3.448 -10.460 1.00 25.13 H new ATOM 0 HB3 LEU A 98 5.783 3.331 -11.866 1.00 25.13 H new ATOM 0 HG LEU A 98 3.104 1.936 -11.629 1.00 4.11 H new ATOM 0 HD11 LEU A 98 2.222 3.698 -13.096 1.00 43.25 H new ATOM 0 HD12 LEU A 98 2.765 4.341 -11.528 1.00 43.25 H new ATOM 0 HD13 LEU A 98 3.772 4.566 -12.977 1.00 43.25 H new ATOM 0 HD21 LEU A 98 3.298 1.677 -14.065 1.00 11.03 H new ATOM 0 HD22 LEU A 98 4.917 2.413 -14.010 1.00 11.03 H new ATOM 0 HD23 LEU A 98 4.618 0.858 -13.198 1.00 11.03 H new ATOM 1552 N LYS A 99 6.938 2.238 -8.767 1.00 73.11 N ATOM 1553 CA LYS A 99 8.133 2.528 -7.993 1.00 1.31 C ATOM 1554 C LYS A 99 8.907 1.231 -7.751 1.00 71.25 C ATOM 1555 O LYS A 99 10.053 1.262 -7.308 1.00 53.02 O ATOM 1556 CB LYS A 99 7.771 3.277 -6.709 1.00 31.34 C ATOM 1557 CG LYS A 99 7.793 4.791 -6.932 1.00 15.41 C ATOM 1558 CD LYS A 99 6.418 5.300 -7.367 1.00 1.10 C ATOM 1559 CE LYS A 99 6.199 6.746 -6.913 1.00 13.50 C ATOM 1560 NZ LYS A 99 7.303 7.609 -7.387 1.00 12.44 N1+ ATOM 0 H LYS A 99 6.060 2.399 -8.273 1.00 73.11 H new ATOM 0 HA LYS A 99 8.793 3.194 -8.548 1.00 1.31 H new ATOM 0 HB2 LYS A 99 6.781 2.970 -6.372 1.00 31.34 H new ATOM 0 HB3 LYS A 99 8.474 3.012 -5.919 1.00 31.34 H new ATOM 0 HG2 LYS A 99 8.097 5.293 -6.014 1.00 15.41 H new ATOM 0 HG3 LYS A 99 8.534 5.040 -7.692 1.00 15.41 H new ATOM 0 HD2 LYS A 99 6.330 5.238 -8.452 1.00 1.10 H new ATOM 0 HD3 LYS A 99 5.641 4.662 -6.947 1.00 1.10 H new ATOM 0 HE2 LYS A 99 5.249 7.115 -7.299 1.00 13.50 H new ATOM 0 HE3 LYS A 99 6.138 6.787 -5.825 1.00 13.50 H new ATOM 0 HZ1 LYS A 99 7.835 7.973 -6.570 1.00 12.44 H new ATOM 0 HZ2 LYS A 99 7.939 7.056 -7.996 1.00 12.44 H new ATOM 0 HZ3 LYS A 99 6.912 8.406 -7.929 1.00 12.44 H new ATOM 1573 N LYS A 100 8.248 0.122 -8.054 1.00 63.15 N ATOM 1574 CA LYS A 100 8.860 -1.185 -7.876 1.00 72.41 C ATOM 1575 C LYS A 100 9.009 -1.863 -9.238 1.00 64.54 C ATOM 1576 O LYS A 100 9.593 -2.941 -9.337 1.00 30.00 O ATOM 1577 CB LYS A 100 8.069 -2.012 -6.860 1.00 4.54 C ATOM 1578 CG LYS A 100 8.614 -3.438 -6.772 1.00 42.24 C ATOM 1579 CD LYS A 100 10.102 -3.436 -6.414 1.00 15.32 C ATOM 1580 CE LYS A 100 10.490 -4.720 -5.679 1.00 64.41 C ATOM 1581 NZ LYS A 100 11.955 -4.780 -5.480 1.00 13.11 N1+ ATOM 0 H LYS A 100 7.297 0.101 -8.421 1.00 63.15 H new ATOM 0 HA LYS A 100 9.862 -1.084 -7.459 1.00 72.41 H new ATOM 0 HB2 LYS A 100 8.121 -1.538 -5.880 1.00 4.54 H new ATOM 0 HB3 LYS A 100 7.018 -2.038 -7.146 1.00 4.54 H new ATOM 0 HG2 LYS A 100 8.057 -3.998 -6.021 1.00 42.24 H new ATOM 0 HG3 LYS A 100 8.466 -3.947 -7.725 1.00 42.24 H new ATOM 0 HD2 LYS A 100 10.698 -3.338 -7.321 1.00 15.32 H new ATOM 0 HD3 LYS A 100 10.328 -2.572 -5.789 1.00 15.32 H new ATOM 0 HE2 LYS A 100 9.984 -4.761 -4.714 1.00 64.41 H new ATOM 0 HE3 LYS A 100 10.159 -5.587 -6.250 1.00 64.41 H new ATOM 0 HZ1 LYS A 100 12.202 -5.658 -4.980 1.00 13.11 H new ATOM 0 HZ2 LYS A 100 12.432 -4.762 -6.404 1.00 13.11 H new ATOM 0 HZ3 LYS A 100 12.263 -3.962 -4.916 1.00 13.11 H new ATOM 1594 N ALA A 101 8.472 -1.204 -10.254 1.00 71.41 N ATOM 1595 CA ALA A 101 8.539 -1.731 -11.607 1.00 62.32 C ATOM 1596 C ALA A 101 9.583 -0.947 -12.404 1.00 15.30 C ATOM 1597 O ALA A 101 10.687 -1.436 -12.636 1.00 73.54 O ATOM 1598 CB ALA A 101 7.151 -1.670 -12.247 1.00 63.13 C ATOM 0 H ALA A 101 7.989 -0.310 -10.168 1.00 71.41 H new ATOM 0 HA ALA A 101 8.849 -2.776 -11.597 1.00 62.32 H new ATOM 0 HB1 ALA A 101 7.201 -2.065 -13.262 1.00 63.13 H new ATOM 0 HB2 ALA A 101 6.453 -2.266 -11.659 1.00 63.13 H new ATOM 0 HB3 ALA A 101 6.809 -0.635 -12.277 1.00 63.13 H new ATOM 1604 N THR A 102 9.197 0.257 -12.801 1.00 2.02 N ATOM 1605 CA THR A 102 10.086 1.113 -13.566 1.00 71.34 C ATOM 1606 C THR A 102 11.339 1.445 -12.753 1.00 12.43 C ATOM 1607 O THR A 102 12.324 1.941 -13.298 1.00 41.24 O ATOM 1608 CB THR A 102 9.297 2.352 -13.997 1.00 15.35 C ATOM 1609 OG1 THR A 102 10.301 3.299 -14.348 1.00 54.52 O ATOM 1610 CG2 THR A 102 8.555 3.008 -12.830 1.00 62.44 C ATOM 0 H THR A 102 8.280 0.659 -12.607 1.00 2.02 H new ATOM 0 HA THR A 102 10.443 0.608 -14.464 1.00 71.34 H new ATOM 0 HB THR A 102 8.582 2.076 -14.772 1.00 15.35 H new ATOM 0 HG1 THR A 102 11.173 2.853 -14.383 1.00 54.52 H new ATOM 0 HG21 THR A 102 8.012 3.882 -13.190 1.00 62.44 H new ATOM 0 HG22 THR A 102 7.852 2.295 -12.399 1.00 62.44 H new ATOM 0 HG23 THR A 102 9.273 3.315 -12.069 1.00 62.44 H new ATOM 1618 N ASN A 103 11.261 1.158 -11.462 1.00 4.21 N ATOM 1619 CA ASN A 103 12.376 1.419 -10.568 1.00 22.31 C ATOM 1620 C ASN A 103 13.441 0.337 -10.759 1.00 72.30 C ATOM 1621 O ASN A 103 14.605 0.541 -10.421 1.00 23.40 O ATOM 1622 CB ASN A 103 11.928 1.388 -9.106 1.00 0.14 C ATOM 1623 CG ASN A 103 13.125 1.525 -8.163 1.00 54.24 C ATOM 1624 OD1 ASN A 103 13.915 2.451 -8.251 1.00 3.22 O ATOM 1625 ND2 ASN A 103 13.215 0.555 -7.258 1.00 60.01 N ATOM 0 H ASN A 103 10.442 0.747 -11.014 1.00 4.21 H new ATOM 0 HA ASN A 103 12.773 2.407 -10.803 1.00 22.31 H new ATOM 0 HB2 ASN A 103 11.221 2.197 -8.921 1.00 0.14 H new ATOM 0 HB3 ASN A 103 11.405 0.454 -8.902 1.00 0.14 H new ATOM 0 HD21 ASN A 103 13.979 0.557 -6.583 1.00 60.01 H new ATOM 0 HD22 ASN A 103 12.520 -0.191 -7.239 1.00 60.01 H new ATOM 1632 N GLU A 104 13.003 -0.790 -11.301 1.00 33.11 N ATOM 1633 CA GLU A 104 13.905 -1.904 -11.542 1.00 43.24 C ATOM 1634 C GLU A 104 15.150 -1.426 -12.290 1.00 2.51 C ATOM 1635 O GLU A 104 16.274 -1.692 -11.867 1.00 22.34 O ATOM 1636 CB GLU A 104 13.200 -3.024 -12.308 1.00 32.13 C ATOM 1637 CG GLU A 104 12.347 -3.879 -11.368 1.00 20.34 C ATOM 1638 CD GLU A 104 11.690 -5.037 -12.123 1.00 3.30 C ATOM 1639 OE1 GLU A 104 12.328 -5.650 -12.992 1.00 3.03 O ATOM 1640 OE2 GLU A 104 10.474 -5.293 -11.779 1.00 64.02 O1- ATOM 0 H GLU A 104 12.036 -0.956 -11.580 1.00 33.11 H new ATOM 0 HA GLU A 104 14.217 -2.309 -10.579 1.00 43.24 H new ATOM 0 HB2 GLU A 104 12.570 -2.596 -13.088 1.00 32.13 H new ATOM 0 HB3 GLU A 104 13.940 -3.651 -12.805 1.00 32.13 H new ATOM 0 HG2 GLU A 104 12.969 -4.271 -10.563 1.00 20.34 H new ATOM 0 HG3 GLU A 104 11.579 -3.260 -10.905 1.00 20.34 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 -1.488 6.674 -19.516 1.00 71.04 FE HETATM 1650 CHA HEC A 500 -0.001 9.542 -20.753 1.00 72.53 C HETATM 1651 CHB HEC A 500 0.215 7.058 -16.566 1.00 20.13 C HETATM 1652 CHC HEC A 500 -3.527 4.342 -18.220 1.00 71.13 C HETATM 1653 CHD HEC A 500 -2.789 6.081 -22.705 1.00 64.24 C HETATM 1654 NA HEC A 500 -0.196 8.088 -18.770 1.00 31.31 N HETATM 1655 C1A HEC A 500 0.257 9.163 -19.455 1.00 11.23 C HETATM 1656 C2A HEC A 500 1.192 9.859 -18.627 1.00 11.44 C HETATM 1657 C3A HEC A 500 1.286 9.170 -17.440 1.00 60.30 C HETATM 1658 C4A HEC A 500 0.410 8.025 -17.551 1.00 22.22 C HETATM 1659 CMA HEC A 500 2.102 9.583 -16.242 1.00 33.41 C HETATM 1660 CAA HEC A 500 2.025 11.022 -19.084 1.00 41.22 C HETATM 1661 CBA HEC A 500 3.208 10.627 -19.971 1.00 51.34 C HETATM 1662 CGA HEC A 500 2.811 10.706 -21.436 1.00 30.41 C HETATM 1663 O1A HEC A 500 2.346 9.676 -21.964 1.00 2.34 O HETATM 1664 O2A HEC A 500 2.907 11.828 -21.983 1.00 70.54 O HETATM 1665 NB HEC A 500 -1.571 5.788 -17.748 1.00 12.31 N HETATM 1666 C1B HEC A 500 -0.758 6.059 -16.686 1.00 45.44 C HETATM 1667 C2B HEC A 500 -1.096 5.116 -15.651 1.00 54.04 C HETATM 1668 C3B HEC A 500 -2.238 4.455 -16.056 1.00 54.24 C HETATM 1669 C4B HEC A 500 -2.502 4.859 -17.418 1.00 43.12 C HETATM 1670 CMB HEC A 500 -0.319 4.898 -14.380 1.00 63.04 C HETATM 1671 CAB HEC A 500 -3.043 3.441 -15.272 1.00 62.05 C HETATM 1672 CBB HEC A 500 -3.204 3.740 -13.778 1.00 3.42 C HETATM 1673 NC HEC A 500 -2.891 5.393 -20.334 1.00 51.30 N HETATM 1674 C1C HEC A 500 -3.597 4.517 -19.597 1.00 22.43 C HETATM 1675 C2C HEC A 500 -4.400 3.723 -20.504 1.00 32.31 C HETATM 1676 C3C HEC A 500 -4.075 4.121 -21.783 1.00 23.12 C HETATM 1677 C4C HEC A 500 -3.211 5.274 -21.652 1.00 64.52 C HETATM 1678 CMC HEC A 500 -5.249 2.530 -20.137 1.00 61.32 C HETATM 1679 CAC HEC A 500 -4.449 3.436 -23.092 1.00 60.14 C HETATM 1680 CBC HEC A 500 -5.953 3.421 -23.390 1.00 75.24 C HETATM 1681 ND HEC A 500 -1.387 7.630 -21.396 1.00 1.32 N HETATM 1682 C1D HEC A 500 -1.971 7.190 -22.541 1.00 53.21 C HETATM 1683 C2D HEC A 500 -1.620 8.117 -23.592 1.00 41.41 C HETATM 1684 C3D HEC A 500 -0.881 9.121 -23.017 1.00 64.12 C HETATM 1685 C4D HEC A 500 -0.721 8.782 -21.633 1.00 4.05 C HETATM 1686 CMD HEC A 500 -2.015 8.040 -25.043 1.00 55.10 C HETATM 1687 CAD HEC A 500 -0.446 10.403 -23.683 1.00 73.33 C HETATM 1688 CBD HEC A 500 -1.467 11.515 -23.455 1.00 42.42 C HETATM 1689 CGD HEC A 500 -0.815 12.880 -23.358 1.00 43.31 C HETATM 1690 O1D HEC A 500 0.315 12.952 -22.838 1.00 34.31 O HETATM 1691 O2D HEC A 500 -1.464 13.856 -23.779 1.00 23.53 O HETATM 0 HMD3 HEC A 500 -1.637 7.113 -25.474 1.00 55.10 H new HETATM 0 HMD2 HEC A 500 -3.102 8.062 -25.126 1.00 55.10 H new HETATM 0 HMD1 HEC A 500 -1.593 8.889 -25.581 1.00 55.10 H new HETATM 0 HMC3 HEC A 500 -4.619 1.755 -19.701 1.00 61.32 H new HETATM 0 HMC2 HEC A 500 -6.007 2.831 -19.414 1.00 61.32 H new HETATM 0 HMC1 HEC A 500 -5.736 2.141 -21.031 1.00 61.32 H new HETATM 0 HMB3 HEC A 500 0.696 4.584 -14.623 1.00 63.04 H new HETATM 0 HMB2 HEC A 500 -0.284 5.827 -13.811 1.00 63.04 H new HETATM 0 HMB1 HEC A 500 -0.805 4.125 -13.784 1.00 63.04 H new HETATM 0 HMA3 HEC A 500 3.153 9.649 -16.523 1.00 33.41 H new HETATM 0 HMA2 HEC A 500 1.760 10.555 -15.886 1.00 33.41 H new HETATM 0 HMA1 HEC A 500 1.984 8.844 -15.449 1.00 33.41 H new HETATM 0 HBD2 HEC A 500 -2.189 11.516 -24.272 1.00 42.42 H new HETATM 0 HBD1 HEC A 500 -2.023 11.314 -22.539 1.00 42.42 H new HETATM 0 HBC3 HEC A 500 -6.477 2.892 -22.593 1.00 75.24 H new HETATM 0 HBC2 HEC A 500 -6.322 4.445 -23.450 1.00 75.24 H new HETATM 0 HBC1 HEC A 500 -6.131 2.915 -24.339 1.00 75.24 H new HETATM 0 HBB3 HEC A 500 -2.222 3.783 -13.308 1.00 3.42 H new HETATM 0 HBB2 HEC A 500 -3.709 4.698 -13.651 1.00 3.42 H new HETATM 0 HBB1 HEC A 500 -3.796 2.953 -13.311 1.00 3.42 H new HETATM 0 HBA2 HEC A 500 4.053 11.288 -19.779 1.00 51.34 H new HETATM 0 HBA1 HEC A 500 3.533 9.615 -19.728 1.00 51.34 H new HETATM 0 HAD2 HEC A 500 0.524 10.709 -23.291 1.00 73.33 H new HETATM 0 HAD1 HEC A 500 -0.319 10.236 -24.753 1.00 73.33 H new HETATM 0 HAA2 HEC A 500 1.390 11.718 -19.631 1.00 41.22 H new HETATM 0 HAA1 HEC A 500 2.401 11.553 -18.209 1.00 41.22 H new HETATM 0 HHD HEC A 500 -3.119 5.828 -23.713 1.00 64.24 H new HETATM 0 HHC HEC A 500 -4.317 3.768 -17.735 1.00 71.13 H new HETATM 0 HHB HEC A 500 0.840 7.081 -15.674 1.00 20.13 H new HETATM 0 HHA HEC A 500 0.390 10.499 -21.098 1.00 72.53 H new HETATM 0 H2A HEC A 500 3.571 11.785 -22.703 1.00 70.54 H new