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 19 THR OG1 : rot -110:sc= 0.0269 USER MOD Set 1.2: A 31 ASN :FLIP amide:sc= -2.96 F(o=-4.7!,f=-2.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= -2.1 (180deg=-2.2) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 149:sc= -0.748 (180deg=-2.69!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -65:sc= -2.3! USER MOD Single : A 16 GLN :FLIP amide:sc= 0.796 F(o=-0.082,f=0.8) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -5.93! C(o=-5.9!,f=-8.3!) 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 :FLIP no HE2:sc= -2.76 F(o=-3.3!,f=-2.8) USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= -2.38! (180deg=-3.9!) USER MOD Single : A 40 THR OG1 : rot 4:sc= 0.615! USER MOD Single : A 42 GLN : amide:sc= -6.61! C(o=-6.6!,f=-13!) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.0323 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 15:sc= 0 USER MOD Single : A 49 THR OG1 : rot -160:sc= 0.029 USER MOD Single : A 52 ASN : amide:sc= -5.78! C(o=-5.8!,f=-10!) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= -1.55 (180deg=-1.82!) USER MOD Single : A 54 ASN : amide:sc= -0.0324 K(o=-0.032,f=-0.7) USER MOD Single : A 55 LYS NZ :NH3+ -142:sc= -4.21! (180deg=-4.97!) USER MOD Single : A 63 THR OG1 : rot -153:sc= -0.401 USER MOD Single : A 65 MET CE :methyl 150:sc= -1.94 (180deg=-2.33) USER MOD Single : A 67 TYR OH : rot -144:sc= 0.813 USER MOD Single : A 70 ASN : amide:sc= -0.962 K(o=-0.96,f=-3.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 152:sc= -0.413 (180deg=-1.8!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -170:sc= -1.65 USER MOD Single : A 79 LYS NZ :NH3+ -143:sc= -2.54! (180deg=-5.28!) USER MOD Single : A 80 MET CE :methyl -168:sc= -0.744 (180deg=-1.45) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= -0.233 (180deg=-1.1) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 165:sc= -0.022 USER MOD Single : A 99 LYS NZ :NH3+ -138:sc= -4.33! (180deg=-10.4!) USER MOD Single : A 100 LYS NZ :NH3+ -153:sc= -0.109 (180deg=-0.589) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 500 HEC O2A : rot -73:sc= -0.306 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.572 0.930 -0.247 1.00 73.12 N ATOM 2 CA GLY A 1 1.619 0.600 -1.662 1.00 23.12 C ATOM 3 C GLY A 1 1.791 -0.907 -1.867 1.00 15.10 C ATOM 4 O GLY A 1 2.753 -1.498 -1.379 1.00 23.01 O ATOM 0 H1 GLY A 1 1.455 1.957 -0.134 1.00 73.12 H new ATOM 0 H2 GLY A 1 0.770 0.439 0.198 1.00 73.12 H new ATOM 0 H3 GLY A 1 2.457 0.630 0.209 1.00 73.12 H new ATOM 0 HA2 GLY A 1 0.703 0.935 -2.148 1.00 23.12 H new ATOM 0 HA3 GLY A 1 2.444 1.132 -2.136 1.00 23.12 H new ATOM 8 N ASP A 2 0.844 -1.485 -2.592 1.00 31.34 N ATOM 9 CA ASP A 2 0.879 -2.912 -2.868 1.00 62.51 C ATOM 10 C ASP A 2 1.406 -3.139 -4.286 1.00 14.32 C ATOM 11 O ASP A 2 0.830 -2.644 -5.253 1.00 25.10 O ATOM 12 CB ASP A 2 -0.521 -3.524 -2.780 1.00 74.02 C ATOM 13 CG ASP A 2 -0.984 -3.877 -1.365 1.00 73.22 C ATOM 14 OD1 ASP A 2 -0.218 -3.768 -0.397 1.00 54.32 O ATOM 15 OD2 ASP A 2 -2.205 -4.284 -1.277 1.00 63.02 O1- ATOM 0 H ASP A 2 0.048 -0.992 -2.997 1.00 31.34 H new ATOM 0 HA ASP A 2 1.526 -3.384 -2.128 1.00 62.51 H new ATOM 0 HB2 ASP A 2 -1.235 -2.825 -3.216 1.00 74.02 H new ATOM 0 HB3 ASP A 2 -0.546 -4.427 -3.390 1.00 74.02 H new ATOM 21 N VAL A 3 2.496 -3.888 -4.364 1.00 32.11 N ATOM 22 CA VAL A 3 3.108 -4.187 -5.648 1.00 21.23 C ATOM 23 C VAL A 3 2.333 -5.318 -6.326 1.00 32.03 C ATOM 24 O VAL A 3 1.968 -5.211 -7.495 1.00 72.34 O ATOM 25 CB VAL A 3 4.592 -4.508 -5.458 1.00 43.02 C ATOM 26 CG1 VAL A 3 5.217 -5.005 -6.763 1.00 11.15 C ATOM 27 CG2 VAL A 3 5.350 -3.296 -4.915 1.00 25.11 C ATOM 0 H VAL A 3 2.971 -4.297 -3.559 1.00 32.11 H new ATOM 0 HA VAL A 3 3.059 -3.320 -6.306 1.00 21.23 H new ATOM 0 HB VAL A 3 4.670 -5.309 -4.723 1.00 43.02 H new ATOM 0 HG11 VAL A 3 6.272 -5.226 -6.600 1.00 11.15 H new ATOM 0 HG12 VAL A 3 4.703 -5.909 -7.091 1.00 11.15 H new ATOM 0 HG13 VAL A 3 5.122 -4.235 -7.529 1.00 11.15 H new ATOM 0 HG21 VAL A 3 6.402 -3.551 -4.789 1.00 25.11 H new ATOM 0 HG22 VAL A 3 5.259 -2.466 -5.616 1.00 25.11 H new ATOM 0 HG23 VAL A 3 4.930 -3.005 -3.952 1.00 25.11 H new ATOM 37 N GLU A 4 2.106 -6.377 -5.562 1.00 73.22 N ATOM 38 CA GLU A 4 1.381 -7.528 -6.075 1.00 63.21 C ATOM 39 C GLU A 4 0.121 -7.076 -6.814 1.00 2.11 C ATOM 40 O GLU A 4 0.030 -7.213 -8.033 1.00 24.52 O ATOM 41 CB GLU A 4 1.035 -8.504 -4.949 1.00 11.11 C ATOM 42 CG GLU A 4 2.263 -9.314 -4.528 1.00 4.20 C ATOM 43 CD GLU A 4 1.856 -10.548 -3.722 1.00 44.00 C ATOM 44 OE1 GLU A 4 2.150 -11.681 -4.132 1.00 12.45 O ATOM 45 OE2 GLU A 4 1.212 -10.300 -2.632 1.00 23.24 O1- ATOM 0 H GLU A 4 2.411 -6.462 -4.592 1.00 73.22 H new ATOM 0 HA GLU A 4 2.024 -8.052 -6.782 1.00 63.21 H new ATOM 0 HB2 GLU A 4 0.647 -7.953 -4.092 1.00 11.11 H new ATOM 0 HB3 GLU A 4 0.245 -9.179 -5.278 1.00 11.11 H new ATOM 0 HG2 GLU A 4 2.821 -9.621 -5.412 1.00 4.20 H new ATOM 0 HG3 GLU A 4 2.928 -8.689 -3.932 1.00 4.20 H new ATOM 53 N LYS A 5 -0.819 -6.545 -6.046 1.00 75.34 N ATOM 54 CA LYS A 5 -2.070 -6.070 -6.614 1.00 44.05 C ATOM 55 C LYS A 5 -1.771 -5.161 -7.808 1.00 71.23 C ATOM 56 O LYS A 5 -2.178 -5.452 -8.931 1.00 12.12 O ATOM 57 CB LYS A 5 -2.930 -5.408 -5.535 1.00 52.33 C ATOM 58 CG LYS A 5 -3.548 -6.455 -4.607 1.00 25.44 C ATOM 59 CD LYS A 5 -4.886 -6.954 -5.157 1.00 53.34 C ATOM 60 CE LYS A 5 -5.748 -7.551 -4.044 1.00 54.44 C ATOM 61 NZ LYS A 5 -6.783 -8.444 -4.612 1.00 55.34 N1+ ATOM 0 H LYS A 5 -0.740 -6.433 -5.035 1.00 75.34 H new ATOM 0 HA LYS A 5 -2.660 -6.906 -6.991 1.00 44.05 H new ATOM 0 HB2 LYS A 5 -2.321 -4.716 -4.954 1.00 52.33 H new ATOM 0 HB3 LYS A 5 -3.720 -4.821 -6.004 1.00 52.33 H new ATOM 0 HG2 LYS A 5 -2.862 -7.294 -4.492 1.00 25.44 H new ATOM 0 HG3 LYS A 5 -3.695 -6.026 -3.616 1.00 25.44 H new ATOM 0 HD2 LYS A 5 -5.418 -6.130 -5.631 1.00 53.34 H new ATOM 0 HD3 LYS A 5 -4.709 -7.705 -5.927 1.00 53.34 H new ATOM 0 HE2 LYS A 5 -5.120 -8.108 -3.349 1.00 54.44 H new ATOM 0 HE3 LYS A 5 -6.222 -6.751 -3.474 1.00 54.44 H new ATOM 0 HZ1 LYS A 5 -7.359 -8.841 -3.843 1.00 55.34 H new ATOM 0 HZ2 LYS A 5 -7.393 -7.902 -5.257 1.00 55.34 H new ATOM 0 HZ3 LYS A 5 -6.325 -9.217 -5.136 1.00 55.34 H new ATOM 74 N GLY A 6 -1.063 -4.078 -7.523 1.00 50.24 N ATOM 75 CA GLY A 6 -0.705 -3.124 -8.559 1.00 73.13 C ATOM 76 C GLY A 6 -0.247 -3.841 -9.830 1.00 54.42 C ATOM 77 O GLY A 6 -0.369 -3.303 -10.929 1.00 0.33 O ATOM 0 H GLY A 6 -0.728 -3.840 -6.590 1.00 50.24 H new ATOM 0 HA2 GLY A 6 -1.561 -2.488 -8.784 1.00 73.13 H new ATOM 0 HA3 GLY A 6 0.090 -2.472 -8.199 1.00 73.13 H new ATOM 81 N LYS A 7 0.270 -5.046 -9.638 1.00 72.11 N ATOM 82 CA LYS A 7 0.747 -5.843 -10.756 1.00 33.13 C ATOM 83 C LYS A 7 -0.449 -6.331 -11.575 1.00 72.23 C ATOM 84 O LYS A 7 -0.546 -6.046 -12.768 1.00 11.22 O ATOM 85 CB LYS A 7 1.655 -6.971 -10.261 1.00 21.32 C ATOM 86 CG LYS A 7 2.721 -7.313 -11.303 1.00 61.52 C ATOM 87 CD LYS A 7 2.229 -8.407 -12.253 1.00 32.11 C ATOM 88 CE LYS A 7 2.575 -9.797 -11.714 1.00 14.32 C ATOM 89 NZ LYS A 7 2.374 -9.849 -10.249 1.00 44.20 N1+ ATOM 0 H LYS A 7 0.369 -5.490 -8.725 1.00 72.11 H new ATOM 0 HA LYS A 7 1.363 -5.237 -11.420 1.00 33.13 H new ATOM 0 HB2 LYS A 7 2.135 -6.674 -9.329 1.00 21.32 H new ATOM 0 HB3 LYS A 7 1.057 -7.856 -10.044 1.00 21.32 H new ATOM 0 HG2 LYS A 7 2.977 -6.420 -11.873 1.00 61.52 H new ATOM 0 HG3 LYS A 7 3.631 -7.644 -10.802 1.00 61.52 H new ATOM 0 HD2 LYS A 7 1.150 -8.322 -12.384 1.00 32.11 H new ATOM 0 HD3 LYS A 7 2.681 -8.271 -13.235 1.00 32.11 H new ATOM 0 HE2 LYS A 7 1.951 -10.548 -12.200 1.00 14.32 H new ATOM 0 HE3 LYS A 7 3.610 -10.039 -11.954 1.00 14.32 H new ATOM 0 HZ1 LYS A 7 2.645 -10.788 -9.894 1.00 44.20 H new ATOM 0 HZ2 LYS A 7 2.962 -9.123 -9.792 1.00 44.20 H new ATOM 0 HZ3 LYS A 7 1.373 -9.672 -10.029 1.00 44.20 H new ATOM 102 N LYS A 8 -1.330 -7.057 -10.904 1.00 14.31 N ATOM 103 CA LYS A 8 -2.515 -7.587 -11.555 1.00 71.23 C ATOM 104 C LYS A 8 -3.285 -6.442 -12.215 1.00 33.24 C ATOM 105 O LYS A 8 -3.814 -6.597 -13.315 1.00 33.30 O ATOM 106 CB LYS A 8 -3.353 -8.401 -10.565 1.00 4.10 C ATOM 107 CG LYS A 8 -2.635 -9.692 -10.171 1.00 33.13 C ATOM 108 CD LYS A 8 -2.673 -10.711 -11.312 1.00 22.11 C ATOM 109 CE LYS A 8 -2.305 -12.109 -10.810 1.00 14.34 C ATOM 110 NZ LYS A 8 -0.837 -12.242 -10.678 1.00 11.43 N1+ ATOM 0 H LYS A 8 -1.247 -7.291 -9.915 1.00 14.31 H new ATOM 0 HA LYS A 8 -2.235 -8.282 -12.347 1.00 71.23 H new ATOM 0 HB2 LYS A 8 -3.551 -7.805 -9.674 1.00 4.10 H new ATOM 0 HB3 LYS A 8 -4.319 -8.639 -11.010 1.00 4.10 H new ATOM 0 HG2 LYS A 8 -1.600 -9.472 -9.910 1.00 33.13 H new ATOM 0 HG3 LYS A 8 -3.104 -10.117 -9.284 1.00 33.13 H new ATOM 0 HD2 LYS A 8 -3.669 -10.730 -11.755 1.00 22.11 H new ATOM 0 HD3 LYS A 8 -1.981 -10.409 -12.098 1.00 22.11 H new ATOM 0 HE2 LYS A 8 -2.781 -12.293 -9.847 1.00 14.34 H new ATOM 0 HE3 LYS A 8 -2.684 -12.862 -11.502 1.00 14.34 H new ATOM 0 HZ1 LYS A 8 -0.604 -13.196 -10.336 1.00 11.43 H new ATOM 0 HZ2 LYS A 8 -0.390 -12.087 -11.604 1.00 11.43 H new ATOM 0 HZ3 LYS A 8 -0.484 -11.536 -10.001 1.00 11.43 H new ATOM 123 N ILE A 9 -3.321 -5.317 -11.517 1.00 15.44 N ATOM 124 CA ILE A 9 -4.018 -4.145 -12.022 1.00 60.11 C ATOM 125 C ILE A 9 -3.406 -3.733 -13.362 1.00 15.22 C ATOM 126 O ILE A 9 -4.008 -3.942 -14.414 1.00 74.43 O ATOM 127 CB ILE A 9 -4.016 -3.028 -10.975 1.00 1.54 C ATOM 128 CG1 ILE A 9 -4.604 -3.518 -9.651 1.00 64.24 C ATOM 129 CG2 ILE A 9 -4.739 -1.786 -11.499 1.00 30.43 C ATOM 130 CD1 ILE A 9 -4.066 -2.699 -8.476 1.00 25.42 C ATOM 0 H ILE A 9 -2.879 -5.191 -10.606 1.00 15.44 H new ATOM 0 HA ILE A 9 -5.067 -4.375 -12.207 1.00 60.11 H new ATOM 0 HB ILE A 9 -2.982 -2.741 -10.782 1.00 1.54 H new ATOM 0 HG12 ILE A 9 -5.691 -3.445 -9.682 1.00 64.24 H new ATOM 0 HG13 ILE A 9 -4.359 -4.570 -9.508 1.00 64.24 H new ATOM 0 HG21 ILE A 9 -4.724 -1.007 -10.736 1.00 30.43 H new ATOM 0 HG22 ILE A 9 -4.237 -1.425 -12.397 1.00 30.43 H new ATOM 0 HG23 ILE A 9 -5.772 -2.040 -11.738 1.00 30.43 H new ATOM 0 HD11 ILE A 9 -4.500 -3.068 -7.547 1.00 25.42 H new ATOM 0 HD12 ILE A 9 -2.981 -2.794 -8.433 1.00 25.42 H new ATOM 0 HD13 ILE A 9 -4.333 -1.651 -8.610 1.00 25.42 H new ATOM 142 N PHE A 10 -2.217 -3.153 -13.281 1.00 13.32 N ATOM 143 CA PHE A 10 -1.517 -2.710 -14.474 1.00 72.43 C ATOM 144 C PHE A 10 -1.628 -3.748 -15.594 1.00 75.11 C ATOM 145 O PHE A 10 -1.935 -3.405 -16.733 1.00 2.34 O ATOM 146 CB PHE A 10 -0.044 -2.544 -14.094 1.00 70.22 C ATOM 147 CG PHE A 10 0.649 -1.370 -14.789 1.00 44.23 C ATOM 148 CD1 PHE A 10 0.387 -0.095 -14.396 1.00 11.20 C ATOM 149 CD2 PHE A 10 1.528 -1.603 -15.801 1.00 42.21 C ATOM 150 CE1 PHE A 10 1.031 0.993 -15.042 1.00 43.23 C ATOM 151 CE2 PHE A 10 2.173 -0.515 -16.446 1.00 53.34 C ATOM 152 CZ PHE A 10 1.910 0.760 -16.053 1.00 42.41 C ATOM 0 H PHE A 10 -1.721 -2.980 -12.407 1.00 13.32 H new ATOM 0 HA PHE A 10 -1.952 -1.778 -14.834 1.00 72.43 H new ATOM 0 HB2 PHE A 10 0.029 -2.409 -13.015 1.00 70.22 H new ATOM 0 HB3 PHE A 10 0.489 -3.463 -14.337 1.00 70.22 H new ATOM 0 HD1 PHE A 10 -0.311 0.090 -13.593 1.00 11.20 H new ATOM 0 HD2 PHE A 10 1.735 -2.616 -16.114 1.00 42.21 H new ATOM 0 HE1 PHE A 10 0.823 2.006 -14.730 1.00 43.23 H new ATOM 0 HE2 PHE A 10 2.872 -0.700 -17.248 1.00 53.34 H new ATOM 0 HZ PHE A 10 2.400 1.588 -16.544 1.00 42.41 H new ATOM 162 N ILE A 11 -1.373 -4.995 -15.227 1.00 62.12 N ATOM 163 CA ILE A 11 -1.440 -6.085 -16.185 1.00 45.21 C ATOM 164 C ILE A 11 -2.648 -5.880 -17.101 1.00 24.11 C ATOM 165 O ILE A 11 -2.550 -6.054 -18.313 1.00 4.32 O ATOM 166 CB ILE A 11 -1.437 -7.434 -15.463 1.00 64.23 C ATOM 167 CG1 ILE A 11 -0.016 -7.846 -15.076 1.00 24.22 C ATOM 168 CG2 ILE A 11 -2.137 -8.507 -16.302 1.00 33.21 C ATOM 169 CD1 ILE A 11 -0.016 -9.180 -14.326 1.00 43.25 C ATOM 0 H ILE A 11 -1.120 -5.275 -14.279 1.00 62.12 H new ATOM 0 HA ILE A 11 -0.555 -6.088 -16.821 1.00 45.21 H new ATOM 0 HB ILE A 11 -2.004 -7.327 -14.538 1.00 64.23 H new ATOM 0 HG12 ILE A 11 0.599 -7.929 -15.972 1.00 24.22 H new ATOM 0 HG13 ILE A 11 0.433 -7.074 -14.451 1.00 24.22 H new ATOM 0 HG21 ILE A 11 -2.121 -9.456 -15.766 1.00 33.21 H new ATOM 0 HG22 ILE A 11 -3.170 -8.210 -16.484 1.00 33.21 H new ATOM 0 HG23 ILE A 11 -1.619 -8.619 -17.254 1.00 33.21 H new ATOM 0 HD11 ILE A 11 1.007 -9.449 -14.063 1.00 43.25 H new ATOM 0 HD12 ILE A 11 -0.612 -9.087 -13.418 1.00 43.25 H new ATOM 0 HD13 ILE A 11 -0.443 -9.955 -14.962 1.00 43.25 H new ATOM 181 N MET A 12 -3.762 -5.512 -16.484 1.00 20.04 N ATOM 182 CA MET A 12 -4.988 -5.281 -17.227 1.00 73.11 C ATOM 183 C MET A 12 -5.650 -3.969 -16.800 1.00 2.53 C ATOM 184 O MET A 12 -6.873 -3.897 -16.676 1.00 61.15 O ATOM 185 CB MET A 12 -5.956 -6.443 -16.990 1.00 10.44 C ATOM 186 CG MET A 12 -6.963 -6.560 -18.136 1.00 20.33 C ATOM 187 SD MET A 12 -8.352 -7.560 -17.627 1.00 23.32 S ATOM 188 CE MET A 12 -8.853 -6.672 -16.161 1.00 74.43 C ATOM 0 H MET A 12 -3.840 -5.368 -15.477 1.00 20.04 H new ATOM 0 HA MET A 12 -4.741 -5.213 -18.286 1.00 73.11 H new ATOM 0 HB2 MET A 12 -5.397 -7.374 -16.896 1.00 10.44 H new ATOM 0 HB3 MET A 12 -6.486 -6.294 -16.049 1.00 10.44 H new ATOM 0 HG2 MET A 12 -7.307 -5.569 -18.432 1.00 20.33 H new ATOM 0 HG3 MET A 12 -6.484 -7.005 -19.008 1.00 20.33 H new ATOM 0 HE1 MET A 12 -9.930 -6.769 -16.027 1.00 74.43 H new ATOM 0 HE2 MET A 12 -8.341 -7.086 -15.292 1.00 74.43 H new ATOM 0 HE3 MET A 12 -8.594 -5.619 -16.267 1.00 74.43 H new ATOM 198 N LYS A 13 -4.814 -2.964 -16.586 1.00 3.23 N ATOM 199 CA LYS A 13 -5.303 -1.658 -16.176 1.00 42.12 C ATOM 200 C LYS A 13 -4.615 -0.577 -17.010 1.00 34.24 C ATOM 201 O LYS A 13 -5.281 0.264 -17.613 1.00 23.10 O ATOM 202 CB LYS A 13 -5.132 -1.473 -14.667 1.00 13.54 C ATOM 203 CG LYS A 13 -5.733 -0.143 -14.206 1.00 61.54 C ATOM 204 CD LYS A 13 -7.241 -0.109 -14.454 1.00 54.44 C ATOM 205 CE LYS A 13 -7.895 -1.430 -14.043 1.00 54.34 C ATOM 206 NZ LYS A 13 -9.370 -1.321 -14.107 1.00 20.13 N1+ ATOM 0 H LYS A 13 -3.801 -3.027 -16.689 1.00 3.23 H new ATOM 0 HA LYS A 13 -6.373 -1.574 -16.365 1.00 42.12 H new ATOM 0 HB2 LYS A 13 -5.614 -2.296 -14.139 1.00 13.54 H new ATOM 0 HB3 LYS A 13 -4.073 -1.506 -14.411 1.00 13.54 H new ATOM 0 HG2 LYS A 13 -5.532 0.003 -13.145 1.00 61.54 H new ATOM 0 HG3 LYS A 13 -5.255 0.680 -14.737 1.00 61.54 H new ATOM 0 HD2 LYS A 13 -7.687 0.712 -13.892 1.00 54.44 H new ATOM 0 HD3 LYS A 13 -7.435 0.084 -15.509 1.00 54.44 H new ATOM 0 HE2 LYS A 13 -7.555 -2.231 -14.700 1.00 54.34 H new ATOM 0 HE3 LYS A 13 -7.588 -1.695 -13.031 1.00 54.34 H new ATOM 0 HZ1 LYS A 13 -9.798 -2.226 -13.825 1.00 20.13 H new ATOM 0 HZ2 LYS A 13 -9.691 -0.571 -13.462 1.00 20.13 H new ATOM 0 HZ3 LYS A 13 -9.659 -1.089 -15.079 1.00 20.13 H new ATOM 219 N CYS A 14 -3.291 -0.632 -17.018 1.00 0.42 N ATOM 220 CA CYS A 14 -2.507 0.334 -17.768 1.00 73.31 C ATOM 221 C CYS A 14 -1.568 -0.432 -18.703 1.00 61.22 C ATOM 222 O CYS A 14 -1.454 -0.101 -19.883 1.00 3.21 O ATOM 223 CB CYS A 14 -1.741 1.282 -16.843 1.00 23.12 C ATOM 224 SG CYS A 14 -2.607 1.700 -15.287 1.00 24.50 S ATOM 0 H CYS A 14 -2.742 -1.330 -16.517 1.00 0.42 H new ATOM 0 HA CYS A 14 -3.171 0.965 -18.358 1.00 73.31 H new ATOM 0 HB2 CYS A 14 -0.780 0.830 -16.598 1.00 23.12 H new ATOM 0 HB3 CYS A 14 -1.530 2.204 -17.384 1.00 23.12 H new ATOM 229 N SER A 15 -0.920 -1.442 -18.141 1.00 53.01 N ATOM 230 CA SER A 15 0.005 -2.259 -18.909 1.00 44.23 C ATOM 231 C SER A 15 -0.551 -2.496 -20.315 1.00 0.15 C ATOM 232 O SER A 15 0.210 -2.636 -21.272 1.00 13.43 O ATOM 233 CB SER A 15 0.271 -3.593 -18.212 1.00 10.33 C ATOM 234 OG SER A 15 -0.666 -4.595 -18.597 1.00 53.25 O ATOM 0 H SER A 15 -1.017 -1.713 -17.163 1.00 53.01 H new ATOM 0 HA SER A 15 0.952 -1.725 -18.984 1.00 44.23 H new ATOM 0 HB2 SER A 15 1.280 -3.931 -18.449 1.00 10.33 H new ATOM 0 HB3 SER A 15 0.227 -3.452 -17.132 1.00 10.33 H new ATOM 0 HG SER A 15 -1.562 -4.337 -18.296 1.00 53.25 H new ATOM 240 N GLN A 16 -1.873 -2.534 -20.396 1.00 52.31 N ATOM 241 CA GLN A 16 -2.539 -2.753 -21.668 1.00 24.53 C ATOM 242 C GLN A 16 -2.067 -1.724 -22.698 1.00 24.04 C ATOM 243 O GLN A 16 -1.677 -2.085 -23.807 1.00 52.22 O ATOM 244 CB GLN A 16 -4.060 -2.708 -21.506 1.00 34.30 C ATOM 245 CG GLN A 16 -4.542 -3.801 -20.551 1.00 64.14 C ATOM 246 CD GLN A 16 -4.474 -5.178 -21.215 1.00 25.22 C ATOM 247 OE1 GLN A 16 -5.374 -5.359 -22.177 1.00 33.12 O flip ATOM 248 NE2 GLN A 16 -3.660 -6.020 -20.874 1.00 5.30 N flip ATOM 0 H GLN A 16 -2.501 -2.417 -19.601 1.00 52.31 H new ATOM 0 HA GLN A 16 -2.274 -3.747 -22.028 1.00 24.53 H new ATOM 0 HB2 GLN A 16 -4.360 -1.731 -21.127 1.00 34.30 H new ATOM 0 HB3 GLN A 16 -4.537 -2.833 -22.478 1.00 34.30 H new ATOM 0 HG2 GLN A 16 -3.929 -3.797 -19.649 1.00 64.14 H new ATOM 0 HG3 GLN A 16 -5.566 -3.593 -20.241 1.00 64.14 H new ATOM 0 HE21 GLN A 16 -2.996 -5.815 -20.127 1.00 5.30 H new ATOM 0 HE22 GLN A 16 -3.643 -6.929 -21.336 1.00 5.30 H new ATOM 257 N CYS A 17 -2.118 -0.463 -22.294 1.00 3.32 N ATOM 258 CA CYS A 17 -1.700 0.620 -23.167 1.00 24.21 C ATOM 259 C CYS A 17 -0.219 0.901 -22.910 1.00 61.52 C ATOM 260 O CYS A 17 0.613 0.730 -23.800 1.00 14.11 O ATOM 261 CB CYS A 17 -2.561 1.869 -22.971 1.00 30.04 C ATOM 262 SG CYS A 17 -4.322 1.667 -23.425 1.00 4.14 S ATOM 0 H CYS A 17 -2.443 -0.167 -21.373 1.00 3.32 H new ATOM 0 HA CYS A 17 -1.837 0.325 -24.207 1.00 24.21 H new ATOM 0 HB2 CYS A 17 -2.502 2.173 -21.926 1.00 30.04 H new ATOM 0 HB3 CYS A 17 -2.139 2.681 -23.563 1.00 30.04 H new ATOM 267 N HIS A 18 0.067 1.327 -21.689 1.00 62.50 N ATOM 268 CA HIS A 18 1.434 1.634 -21.303 1.00 4.04 C ATOM 269 C HIS A 18 2.231 0.335 -21.165 1.00 22.22 C ATOM 270 O HIS A 18 1.709 -0.749 -21.422 1.00 62.34 O ATOM 271 CB HIS A 18 1.462 2.484 -20.031 1.00 40.31 C ATOM 272 CG HIS A 18 0.736 3.802 -20.158 1.00 54.33 C ATOM 273 ND1 HIS A 18 1.385 4.992 -20.437 1.00 50.21 N ATOM 274 CD2 HIS A 18 -0.590 4.105 -20.043 1.00 25.02 C ATOM 275 CE1 HIS A 18 0.483 5.961 -20.484 1.00 64.43 C ATOM 276 NE2 HIS A 18 -0.741 5.409 -20.239 1.00 53.31 N ATOM 0 H HIS A 18 -0.625 1.467 -20.953 1.00 62.50 H new ATOM 0 HA HIS A 18 1.910 2.232 -22.080 1.00 4.04 H new ATOM 0 HB2 HIS A 18 1.018 1.913 -19.215 1.00 40.31 H new ATOM 0 HB3 HIS A 18 2.499 2.677 -19.758 1.00 40.31 H new ATOM 0 HD1 HIS A 18 2.388 5.104 -20.582 1.00 50.21 H new ATOM 0 HD2 HIS A 18 -1.382 3.403 -19.829 1.00 25.02 H new ATOM 0 HE1 HIS A 18 0.681 7.004 -20.681 1.00 64.43 H new ATOM 284 N THR A 19 3.483 0.488 -20.761 1.00 13.43 N ATOM 285 CA THR A 19 4.358 -0.659 -20.586 1.00 60.21 C ATOM 286 C THR A 19 5.538 -0.297 -19.681 1.00 32.10 C ATOM 287 O THR A 19 6.433 0.442 -20.088 1.00 32.41 O ATOM 288 CB THR A 19 4.784 -1.146 -21.973 1.00 74.25 C ATOM 289 OG1 THR A 19 4.953 0.054 -22.724 1.00 32.15 O ATOM 290 CG2 THR A 19 3.662 -1.887 -22.703 1.00 61.22 C ATOM 0 H THR A 19 3.913 1.389 -20.550 1.00 13.43 H new ATOM 0 HA THR A 19 3.841 -1.476 -20.083 1.00 60.21 H new ATOM 0 HB THR A 19 5.650 -1.801 -21.878 1.00 74.25 H new ATOM 0 HG1 THR A 19 4.242 0.123 -23.394 1.00 32.15 H new ATOM 0 HG21 THR A 19 4.017 -2.211 -23.681 1.00 61.22 H new ATOM 0 HG22 THR A 19 3.361 -2.757 -22.120 1.00 61.22 H new ATOM 0 HG23 THR A 19 2.808 -1.221 -22.829 1.00 61.22 H new ATOM 298 N VAL A 20 5.501 -0.835 -18.471 1.00 73.30 N ATOM 299 CA VAL A 20 6.555 -0.577 -17.505 1.00 62.41 C ATOM 300 C VAL A 20 7.716 -1.543 -17.754 1.00 42.31 C ATOM 301 O VAL A 20 8.181 -2.211 -16.832 1.00 23.32 O ATOM 302 CB VAL A 20 5.996 -0.668 -16.083 1.00 73.02 C ATOM 303 CG1 VAL A 20 4.881 0.356 -15.866 1.00 11.15 C ATOM 304 CG2 VAL A 20 5.508 -2.086 -15.776 1.00 54.03 C ATOM 0 H VAL A 20 4.758 -1.449 -18.137 1.00 73.30 H new ATOM 0 HA VAL A 20 6.942 0.435 -17.623 1.00 62.41 H new ATOM 0 HB VAL A 20 6.804 -0.435 -15.389 1.00 73.02 H new ATOM 0 HG11 VAL A 20 4.501 0.270 -14.848 1.00 11.15 H new ATOM 0 HG12 VAL A 20 5.274 1.361 -16.023 1.00 11.15 H new ATOM 0 HG13 VAL A 20 4.072 0.168 -16.572 1.00 11.15 H new ATOM 0 HG21 VAL A 20 5.116 -2.124 -14.760 1.00 54.03 H new ATOM 0 HG22 VAL A 20 4.721 -2.360 -16.479 1.00 54.03 H new ATOM 0 HG23 VAL A 20 6.339 -2.785 -15.870 1.00 54.03 H new ATOM 314 N GLU A 21 8.149 -1.586 -19.005 1.00 2.20 N ATOM 315 CA GLU A 21 9.246 -2.459 -19.387 1.00 22.52 C ATOM 316 C GLU A 21 10.194 -1.732 -20.344 1.00 34.35 C ATOM 317 O GLU A 21 9.754 -1.130 -21.321 1.00 52.54 O ATOM 318 CB GLU A 21 8.724 -3.755 -20.012 1.00 61.35 C ATOM 319 CG GLU A 21 7.520 -3.481 -20.914 1.00 1.24 C ATOM 320 CD GLU A 21 7.010 -4.774 -21.555 1.00 73.45 C ATOM 321 OE1 GLU A 21 7.308 -5.871 -21.059 1.00 31.11 O ATOM 322 OE2 GLU A 21 6.279 -4.611 -22.605 1.00 44.15 O1- ATOM 0 H GLU A 21 7.760 -1.031 -19.767 1.00 2.20 H new ATOM 0 HA GLU A 21 9.802 -2.726 -18.488 1.00 22.52 H new ATOM 0 HB2 GLU A 21 9.517 -4.229 -20.591 1.00 61.35 H new ATOM 0 HB3 GLU A 21 8.442 -4.455 -19.225 1.00 61.35 H new ATOM 0 HG2 GLU A 21 6.722 -3.020 -20.332 1.00 1.24 H new ATOM 0 HG3 GLU A 21 7.798 -2.770 -21.692 1.00 1.24 H new ATOM 330 N LYS A 22 11.478 -1.813 -20.027 1.00 34.22 N ATOM 331 CA LYS A 22 12.492 -1.170 -20.846 1.00 44.40 C ATOM 332 C LYS A 22 12.139 -1.353 -22.323 1.00 4.32 C ATOM 333 O LYS A 22 11.801 -2.454 -22.753 1.00 2.32 O ATOM 334 CB LYS A 22 13.885 -1.687 -20.478 1.00 74.13 C ATOM 335 CG LYS A 22 14.961 -1.025 -21.341 1.00 50.22 C ATOM 336 CD LYS A 22 16.315 -1.030 -20.629 1.00 63.22 C ATOM 337 CE LYS A 22 17.274 -0.025 -21.269 1.00 63.42 C ATOM 338 NZ LYS A 22 18.426 0.234 -20.374 1.00 43.00 N1+ ATOM 0 H LYS A 22 11.839 -2.314 -19.215 1.00 34.22 H new ATOM 0 HA LYS A 22 12.514 -0.097 -20.653 1.00 44.40 H new ATOM 0 HB2 LYS A 22 14.084 -1.487 -19.425 1.00 74.13 H new ATOM 0 HB3 LYS A 22 13.922 -2.768 -20.610 1.00 74.13 H new ATOM 0 HG2 LYS A 22 15.044 -1.551 -22.292 1.00 50.22 H new ATOM 0 HG3 LYS A 22 14.670 0.000 -21.569 1.00 50.22 H new ATOM 0 HD2 LYS A 22 16.177 -0.786 -19.576 1.00 63.22 H new ATOM 0 HD3 LYS A 22 16.748 -2.029 -20.671 1.00 63.22 H new ATOM 0 HE2 LYS A 22 17.628 -0.409 -22.226 1.00 63.42 H new ATOM 0 HE3 LYS A 22 16.749 0.908 -21.475 1.00 63.42 H new ATOM 0 HZ1 LYS A 22 19.068 0.918 -20.823 1.00 43.00 H new ATOM 0 HZ2 LYS A 22 18.084 0.621 -19.471 1.00 43.00 H new ATOM 0 HZ3 LYS A 22 18.936 -0.655 -20.199 1.00 43.00 H new ATOM 351 N GLY A 23 12.231 -0.255 -23.060 1.00 52.14 N ATOM 352 CA GLY A 23 11.925 -0.280 -24.481 1.00 30.32 C ATOM 353 C GLY A 23 10.464 -0.666 -24.721 1.00 2.14 C ATOM 354 O GLY A 23 10.173 -1.513 -25.563 1.00 23.14 O ATOM 0 H GLY A 23 12.513 0.657 -22.700 1.00 52.14 H new ATOM 0 HA2 GLY A 23 12.122 0.700 -24.916 1.00 30.32 H new ATOM 0 HA3 GLY A 23 12.580 -0.991 -24.985 1.00 30.32 H new ATOM 358 N GLY A 24 9.585 -0.026 -23.964 1.00 32.53 N ATOM 359 CA GLY A 24 8.161 -0.292 -24.084 1.00 33.34 C ATOM 360 C GLY A 24 7.685 -0.092 -25.525 1.00 72.53 C ATOM 361 O GLY A 24 8.495 -0.043 -26.448 1.00 13.20 O ATOM 0 H GLY A 24 9.831 0.676 -23.266 1.00 32.53 H new ATOM 0 HA2 GLY A 24 7.950 -1.313 -23.766 1.00 33.34 H new ATOM 0 HA3 GLY A 24 7.606 0.370 -23.419 1.00 33.34 H new ATOM 365 N LYS A 25 6.373 0.017 -25.671 1.00 11.42 N ATOM 366 CA LYS A 25 5.780 0.211 -26.983 1.00 2.02 C ATOM 367 C LYS A 25 4.888 1.454 -26.956 1.00 31.52 C ATOM 368 O LYS A 25 4.288 1.770 -25.931 1.00 72.44 O ATOM 369 CB LYS A 25 5.054 -1.058 -27.435 1.00 24.30 C ATOM 370 CG LYS A 25 5.813 -2.310 -26.996 1.00 22.43 C ATOM 371 CD LYS A 25 5.531 -3.482 -27.939 1.00 53.42 C ATOM 372 CE LYS A 25 6.682 -4.491 -27.919 1.00 11.53 C ATOM 373 NZ LYS A 25 6.684 -5.250 -26.648 1.00 63.31 N1+ ATOM 0 H LYS A 25 5.704 -0.025 -24.902 1.00 11.42 H new ATOM 0 HA LYS A 25 6.554 0.390 -27.729 1.00 2.02 H new ATOM 0 HB2 LYS A 25 4.047 -1.074 -27.017 1.00 24.30 H new ATOM 0 HB3 LYS A 25 4.949 -1.054 -28.520 1.00 24.30 H new ATOM 0 HG2 LYS A 25 6.883 -2.103 -26.977 1.00 22.43 H new ATOM 0 HG3 LYS A 25 5.523 -2.578 -25.980 1.00 22.43 H new ATOM 0 HD2 LYS A 25 4.605 -3.976 -27.645 1.00 53.42 H new ATOM 0 HD3 LYS A 25 5.386 -3.111 -28.953 1.00 53.42 H new ATOM 0 HE2 LYS A 25 6.586 -5.178 -28.760 1.00 11.53 H new ATOM 0 HE3 LYS A 25 7.632 -3.970 -28.040 1.00 11.53 H new ATOM 0 HZ1 LYS A 25 7.471 -5.930 -26.651 1.00 63.31 H new ATOM 0 HZ2 LYS A 25 6.798 -4.592 -25.851 1.00 63.31 H new ATOM 0 HZ3 LYS A 25 5.784 -5.762 -26.548 1.00 63.31 H new ATOM 386 N HIS A 26 4.829 2.125 -28.097 1.00 25.51 N ATOM 387 CA HIS A 26 4.020 3.327 -28.219 1.00 74.44 C ATOM 388 C HIS A 26 2.626 2.957 -28.729 1.00 45.22 C ATOM 389 O HIS A 26 1.967 3.764 -29.384 1.00 2.22 O ATOM 390 CB HIS A 26 4.719 4.365 -29.098 1.00 11.11 C ATOM 391 CG HIS A 26 5.889 5.049 -28.430 1.00 12.42 C ATOM 392 ND1 HIS A 26 6.072 5.051 -27.059 1.00 62.23 N ATOM 393 CD2 HIS A 26 6.931 5.751 -28.960 1.00 45.21 C ATOM 394 CE1 HIS A 26 7.178 5.727 -26.786 1.00 75.04 C ATOM 395 NE2 HIS A 26 7.708 6.161 -27.966 1.00 43.14 N ATOM 0 H HIS A 26 5.328 1.859 -28.946 1.00 25.51 H new ATOM 0 HA HIS A 26 3.899 3.790 -27.240 1.00 74.44 H new ATOM 0 HB2 HIS A 26 5.068 3.879 -30.009 1.00 11.11 H new ATOM 0 HB3 HIS A 26 3.993 5.120 -29.398 1.00 11.11 H new ATOM 0 HD2 HIS A 26 7.096 5.941 -30.010 1.00 45.21 H new ATOM 0 HE1 HIS A 26 7.588 5.904 -25.803 1.00 75.04 H new ATOM 0 HE2 HIS A 26 8.561 6.710 -28.067 1.00 43.14 H new ATOM 403 N LYS A 27 2.218 1.738 -28.411 1.00 44.03 N ATOM 404 CA LYS A 27 0.914 1.252 -28.829 1.00 53.42 C ATOM 405 C LYS A 27 -0.139 2.327 -28.550 1.00 34.44 C ATOM 406 O LYS A 27 -0.420 3.163 -29.406 1.00 33.44 O ATOM 407 CB LYS A 27 0.608 -0.095 -28.172 1.00 74.10 C ATOM 408 CG LYS A 27 1.611 -1.162 -28.615 1.00 42.43 C ATOM 409 CD LYS A 27 1.132 -1.871 -29.883 1.00 54.03 C ATOM 410 CE LYS A 27 -0.069 -2.771 -29.587 1.00 14.52 C ATOM 411 NZ LYS A 27 -0.957 -2.856 -30.768 1.00 5.14 N1+ ATOM 0 H LYS A 27 2.768 1.072 -27.868 1.00 44.03 H new ATOM 0 HA LYS A 27 0.903 1.065 -29.903 1.00 53.42 H new ATOM 0 HB2 LYS A 27 0.639 0.010 -27.088 1.00 74.10 H new ATOM 0 HB3 LYS A 27 -0.402 -0.410 -28.433 1.00 74.10 H new ATOM 0 HG2 LYS A 27 2.582 -0.701 -28.797 1.00 42.43 H new ATOM 0 HG3 LYS A 27 1.749 -1.891 -27.816 1.00 42.43 H new ATOM 0 HD2 LYS A 27 0.860 -1.132 -30.637 1.00 54.03 H new ATOM 0 HD3 LYS A 27 1.944 -2.467 -30.299 1.00 54.03 H new ATOM 0 HE2 LYS A 27 0.275 -3.768 -29.311 1.00 14.52 H new ATOM 0 HE3 LYS A 27 -0.624 -2.378 -28.735 1.00 14.52 H new ATOM 0 HZ1 LYS A 27 -1.767 -3.471 -30.550 1.00 5.14 H new ATOM 0 HZ2 LYS A 27 -1.300 -1.905 -31.014 1.00 5.14 H new ATOM 0 HZ3 LYS A 27 -0.429 -3.252 -31.572 1.00 5.14 H new ATOM 424 N THR A 28 -0.694 2.268 -27.347 1.00 74.51 N ATOM 425 CA THR A 28 -1.710 3.224 -26.945 1.00 2.42 C ATOM 426 C THR A 28 -1.124 4.245 -25.967 1.00 41.14 C ATOM 427 O THR A 28 -1.571 5.390 -25.917 1.00 32.05 O ATOM 428 CB THR A 28 -2.893 2.444 -26.370 1.00 52.12 C ATOM 429 OG1 THR A 28 -3.158 1.444 -27.350 1.00 43.31 O ATOM 430 CG2 THR A 28 -4.179 3.274 -26.329 1.00 32.01 C ATOM 0 H THR A 28 -0.458 1.573 -26.639 1.00 74.51 H new ATOM 0 HA THR A 28 -2.067 3.803 -27.797 1.00 2.42 H new ATOM 0 HB THR A 28 -2.648 2.104 -25.364 1.00 52.12 H new ATOM 0 HG1 THR A 28 -3.911 0.890 -27.057 1.00 43.31 H new ATOM 0 HG21 THR A 28 -4.987 2.673 -25.912 1.00 32.01 H new ATOM 0 HG22 THR A 28 -4.024 4.155 -25.706 1.00 32.01 H new ATOM 0 HG23 THR A 28 -4.443 3.586 -27.339 1.00 32.01 H new ATOM 438 N GLY A 29 -0.130 3.794 -25.215 1.00 64.54 N ATOM 439 CA GLY A 29 0.522 4.653 -24.242 1.00 55.30 C ATOM 440 C GLY A 29 2.044 4.604 -24.400 1.00 1.42 C ATOM 441 O GLY A 29 2.588 3.617 -24.892 1.00 41.14 O ATOM 0 H GLY A 29 0.239 2.844 -25.260 1.00 64.54 H new ATOM 0 HA2 GLY A 29 0.173 5.678 -24.365 1.00 55.30 H new ATOM 0 HA3 GLY A 29 0.247 4.341 -23.234 1.00 55.30 H new ATOM 445 N PRO A 30 2.703 5.710 -23.961 1.00 74.54 N ATOM 446 CA PRO A 30 4.150 5.801 -24.048 1.00 74.11 C ATOM 447 C PRO A 30 4.820 4.936 -22.980 1.00 24.32 C ATOM 448 O PRO A 30 4.342 4.858 -21.849 1.00 24.23 O ATOM 449 CB PRO A 30 4.460 7.282 -23.894 1.00 41.30 C ATOM 450 CG PRO A 30 3.224 7.902 -23.264 1.00 54.01 C ATOM 451 CD PRO A 30 2.090 6.897 -23.373 1.00 12.13 C ATOM 0 HA PRO A 30 4.539 5.421 -24.993 1.00 74.11 H new ATOM 0 HB2 PRO A 30 5.337 7.434 -23.265 1.00 41.30 H new ATOM 0 HB3 PRO A 30 4.677 7.738 -24.860 1.00 41.30 H new ATOM 0 HG2 PRO A 30 3.413 8.152 -22.220 1.00 54.01 H new ATOM 0 HG3 PRO A 30 2.962 8.830 -23.772 1.00 54.01 H new ATOM 0 HD2 PRO A 30 1.660 6.678 -22.396 1.00 12.13 H new ATOM 0 HD3 PRO A 30 1.283 7.277 -23.999 1.00 12.13 H new ATOM 459 N ASN A 31 5.916 4.306 -23.375 1.00 21.33 N ATOM 460 CA ASN A 31 6.657 3.448 -22.466 1.00 33.24 C ATOM 461 C ASN A 31 6.939 4.211 -21.169 1.00 11.33 C ATOM 462 O ASN A 31 7.728 5.155 -21.160 1.00 70.42 O ATOM 463 CB ASN A 31 7.998 3.032 -23.070 1.00 44.34 C ATOM 464 CG ASN A 31 8.913 2.420 -22.007 1.00 45.33 C ATOM 465 OD1 ASN A 31 8.383 1.380 -21.370 1.00 35.40 O flip ATOM 466 ND2 ASN A 31 10.027 2.865 -21.780 1.00 71.13 N flip ATOM 0 H ASN A 31 6.309 4.373 -24.314 1.00 21.33 H new ATOM 0 HA ASN A 31 6.056 2.558 -22.277 1.00 33.24 H new ATOM 0 HB2 ASN A 31 7.832 2.311 -23.871 1.00 44.34 H new ATOM 0 HB3 ASN A 31 8.484 3.899 -23.517 1.00 44.34 H new ATOM 0 HD21 ASN A 31 10.373 3.667 -22.307 1.00 71.13 H new ATOM 0 HD22 ASN A 31 10.612 2.435 -21.064 1.00 71.13 H new ATOM 473 N LEU A 32 6.279 3.774 -20.107 1.00 25.52 N ATOM 474 CA LEU A 32 6.449 4.404 -18.809 1.00 3.12 C ATOM 475 C LEU A 32 7.859 4.117 -18.288 1.00 43.31 C ATOM 476 O LEU A 32 8.537 5.017 -17.794 1.00 21.41 O ATOM 477 CB LEU A 32 5.339 3.964 -17.851 1.00 53.22 C ATOM 478 CG LEU A 32 3.960 4.581 -18.094 1.00 2.33 C ATOM 479 CD1 LEU A 32 2.964 4.138 -17.021 1.00 33.31 C ATOM 480 CD2 LEU A 32 4.051 6.105 -18.197 1.00 64.04 C ATOM 0 H LEU A 32 5.625 2.991 -20.119 1.00 25.52 H new ATOM 0 HA LEU A 32 6.355 5.486 -18.896 1.00 3.12 H new ATOM 0 HB2 LEU A 32 5.245 2.880 -17.909 1.00 53.22 H new ATOM 0 HB3 LEU A 32 5.648 4.204 -16.834 1.00 53.22 H new ATOM 0 HG LEU A 32 3.587 4.215 -19.051 1.00 2.33 H new ATOM 0 HD11 LEU A 32 1.992 4.591 -17.217 1.00 33.31 H new ATOM 0 HD12 LEU A 32 2.869 3.052 -17.039 1.00 33.31 H new ATOM 0 HD13 LEU A 32 3.320 4.455 -16.041 1.00 33.31 H new ATOM 0 HD21 LEU A 32 3.057 6.518 -18.370 1.00 64.04 H new ATOM 0 HD22 LEU A 32 4.456 6.509 -17.269 1.00 64.04 H new ATOM 0 HD23 LEU A 32 4.705 6.375 -19.026 1.00 64.04 H new ATOM 492 N HIS A 33 8.259 2.861 -18.417 1.00 23.30 N ATOM 493 CA HIS A 33 9.576 2.444 -17.967 1.00 74.15 C ATOM 494 C HIS A 33 10.601 3.529 -18.307 1.00 20.01 C ATOM 495 O HIS A 33 10.945 3.720 -19.473 1.00 41.10 O ATOM 496 CB HIS A 33 9.943 1.078 -18.549 1.00 31.34 C ATOM 497 CG HIS A 33 10.830 0.247 -17.654 1.00 51.32 C ATOM 498 ND1 HIS A 33 10.534 -0.505 -16.556 1.00 11.24 N flip ATOM 499 CD2 HIS A 33 12.196 0.131 -17.850 1.00 72.42 C flip ATOM 500 CE1 HIS A 33 11.656 -1.054 -16.107 1.00 33.45 C flip ATOM 501 NE2 HIS A 33 12.688 -0.659 -16.908 1.00 33.01 N flip ATOM 0 H HIS A 33 7.694 2.118 -18.827 1.00 23.30 H new ATOM 0 HA HIS A 33 9.572 2.322 -16.884 1.00 74.15 H new ATOM 0 HB2 HIS A 33 9.027 0.523 -18.752 1.00 31.34 H new ATOM 0 HB3 HIS A 33 10.445 1.225 -19.505 1.00 31.34 H new ATOM 0 HD1 HIS A 33 9.607 -0.625 -16.148 1.00 11.24 H new ATOM 0 HD2 HIS A 33 12.764 0.604 -18.637 1.00 72.42 H new ATOM 0 HE1 HIS A 33 11.739 -1.706 -15.250 1.00 33.45 H new ATOM 509 N GLY A 34 11.061 4.210 -17.268 1.00 13.14 N ATOM 510 CA GLY A 34 12.039 5.269 -17.442 1.00 20.04 C ATOM 511 C GLY A 34 11.354 6.629 -17.594 1.00 32.42 C ATOM 512 O GLY A 34 11.883 7.524 -18.252 1.00 44.34 O ATOM 0 H GLY A 34 10.774 4.049 -16.303 1.00 13.14 H new ATOM 0 HA2 GLY A 34 12.713 5.291 -16.585 1.00 20.04 H new ATOM 0 HA3 GLY A 34 12.649 5.065 -18.322 1.00 20.04 H new ATOM 516 N LEU A 35 10.188 6.741 -16.975 1.00 32.24 N ATOM 517 CA LEU A 35 9.425 7.976 -17.034 1.00 31.25 C ATOM 518 C LEU A 35 9.733 8.820 -15.795 1.00 52.04 C ATOM 519 O LEU A 35 10.364 9.871 -15.897 1.00 22.11 O ATOM 520 CB LEU A 35 7.937 7.678 -17.220 1.00 41.23 C ATOM 521 CG LEU A 35 6.992 8.876 -17.099 1.00 31.03 C ATOM 522 CD1 LEU A 35 6.821 9.577 -18.448 1.00 5.42 C ATOM 523 CD2 LEU A 35 5.650 8.457 -16.496 1.00 1.05 C ATOM 0 H LEU A 35 9.753 5.997 -16.430 1.00 32.24 H new ATOM 0 HA LEU A 35 9.719 8.565 -17.903 1.00 31.25 H new ATOM 0 HB2 LEU A 35 7.797 7.228 -18.203 1.00 41.23 H new ATOM 0 HB3 LEU A 35 7.641 6.932 -16.483 1.00 41.23 H new ATOM 0 HG LEU A 35 7.440 9.597 -16.416 1.00 31.03 H new ATOM 0 HD11 LEU A 35 6.145 10.424 -18.335 1.00 5.42 H new ATOM 0 HD12 LEU A 35 7.790 9.931 -18.800 1.00 5.42 H new ATOM 0 HD13 LEU A 35 6.406 8.876 -19.172 1.00 5.42 H new ATOM 0 HD21 LEU A 35 4.997 9.327 -16.421 1.00 1.05 H new ATOM 0 HD22 LEU A 35 5.183 7.707 -17.134 1.00 1.05 H new ATOM 0 HD23 LEU A 35 5.812 8.038 -15.503 1.00 1.05 H new ATOM 535 N PHE A 36 9.273 8.327 -14.654 1.00 20.52 N ATOM 536 CA PHE A 36 9.492 9.023 -13.398 1.00 73.41 C ATOM 537 C PHE A 36 10.877 9.672 -13.362 1.00 62.01 C ATOM 538 O PHE A 36 11.886 8.981 -13.231 1.00 45.32 O ATOM 539 CB PHE A 36 9.404 7.976 -12.285 1.00 3.55 C ATOM 540 CG PHE A 36 8.002 7.394 -12.087 1.00 31.21 C ATOM 541 CD1 PHE A 36 7.598 6.327 -12.827 1.00 55.31 C ATOM 542 CD2 PHE A 36 7.161 7.946 -11.173 1.00 21.25 C ATOM 543 CE1 PHE A 36 6.298 5.787 -12.643 1.00 43.54 C ATOM 544 CE2 PHE A 36 5.860 7.406 -10.988 1.00 11.12 C ATOM 545 CZ PHE A 36 5.456 6.339 -11.728 1.00 24.50 C ATOM 0 H PHE A 36 8.750 7.455 -14.574 1.00 20.52 H new ATOM 0 HA PHE A 36 8.749 9.811 -13.276 1.00 73.41 H new ATOM 0 HB2 PHE A 36 10.095 7.163 -12.509 1.00 3.55 H new ATOM 0 HB3 PHE A 36 9.735 8.427 -11.349 1.00 3.55 H new ATOM 0 HD1 PHE A 36 8.266 5.890 -13.555 1.00 55.31 H new ATOM 0 HD2 PHE A 36 7.482 8.795 -10.587 1.00 21.25 H new ATOM 0 HE1 PHE A 36 5.978 4.938 -13.229 1.00 43.54 H new ATOM 0 HE2 PHE A 36 5.192 7.843 -10.260 1.00 11.12 H new ATOM 0 HZ PHE A 36 4.466 5.930 -11.589 1.00 24.50 H new ATOM 555 N GLY A 37 10.881 10.991 -13.482 1.00 72.03 N ATOM 556 CA GLY A 37 12.126 11.740 -13.466 1.00 54.23 C ATOM 557 C GLY A 37 12.295 12.550 -14.753 1.00 11.10 C ATOM 558 O GLY A 37 13.336 13.168 -14.970 1.00 34.13 O ATOM 0 H GLY A 37 10.042 11.561 -13.591 1.00 72.03 H new ATOM 0 HA2 GLY A 37 12.141 12.410 -12.606 1.00 54.23 H new ATOM 0 HA3 GLY A 37 12.966 11.054 -13.351 1.00 54.23 H new ATOM 562 N ARG A 38 11.255 12.522 -15.574 1.00 20.32 N ATOM 563 CA ARG A 38 11.275 13.245 -16.833 1.00 21.31 C ATOM 564 C ARG A 38 9.935 13.945 -17.065 1.00 12.13 C ATOM 565 O ARG A 38 8.885 13.415 -16.707 1.00 64.01 O ATOM 566 CB ARG A 38 11.561 12.304 -18.005 1.00 72.11 C ATOM 567 CG ARG A 38 10.302 11.534 -18.409 1.00 4.21 C ATOM 568 CD ARG A 38 10.657 10.304 -19.247 1.00 70.22 C ATOM 569 NE ARG A 38 11.390 10.714 -20.465 1.00 24.34 N ATOM 570 CZ ARG A 38 11.724 9.874 -21.467 1.00 4.41 C ATOM 571 NH1 ARG A 38 11.391 8.567 -21.404 1.00 32.22 N ATOM 572 NH2 ARG A 38 12.381 10.350 -22.509 1.00 41.32 N1+ ATOM 0 H ARG A 38 10.393 12.009 -15.391 1.00 20.32 H new ATOM 0 HA ARG A 38 12.071 13.987 -16.776 1.00 21.31 H new ATOM 0 HB2 ARG A 38 11.929 12.878 -18.855 1.00 72.11 H new ATOM 0 HB3 ARG A 38 12.348 11.602 -17.729 1.00 72.11 H new ATOM 0 HG2 ARG A 38 9.758 11.226 -17.516 1.00 4.21 H new ATOM 0 HG3 ARG A 38 9.639 12.186 -18.977 1.00 4.21 H new ATOM 0 HD2 ARG A 38 11.267 9.618 -18.660 1.00 70.22 H new ATOM 0 HD3 ARG A 38 9.749 9.768 -19.523 1.00 70.22 H new ATOM 0 HE ARG A 38 11.660 11.694 -20.553 1.00 24.34 H new ATOM 0 HH11 ARG A 38 10.883 8.208 -20.595 1.00 32.22 H new ATOM 0 HH12 ARG A 38 11.647 7.938 -22.165 1.00 32.22 H new ATOM 0 HH21 ARG A 38 12.628 11.339 -22.548 1.00 41.32 H new ATOM 0 HH22 ARG A 38 12.641 9.729 -23.275 1.00 41.32 H new ATOM 585 N LYS A 39 10.014 15.125 -17.663 1.00 13.22 N ATOM 586 CA LYS A 39 8.820 15.903 -17.947 1.00 74.33 C ATOM 587 C LYS A 39 7.905 15.103 -18.876 1.00 3.51 C ATOM 588 O LYS A 39 8.144 13.921 -19.123 1.00 62.53 O ATOM 589 CB LYS A 39 9.196 17.282 -18.491 1.00 1.41 C ATOM 590 CG LYS A 39 9.357 18.294 -17.355 1.00 54.01 C ATOM 591 CD LYS A 39 10.767 18.237 -16.766 1.00 44.05 C ATOM 592 CE LYS A 39 11.163 19.585 -16.158 1.00 41.14 C ATOM 593 NZ LYS A 39 12.481 19.486 -15.492 1.00 34.23 N1+ ATOM 0 H LYS A 39 10.887 15.561 -17.959 1.00 13.22 H new ATOM 0 HA LYS A 39 8.260 16.090 -17.031 1.00 74.33 H new ATOM 0 HB2 LYS A 39 10.126 17.213 -19.056 1.00 1.41 H new ATOM 0 HB3 LYS A 39 8.427 17.626 -19.183 1.00 1.41 H new ATOM 0 HG2 LYS A 39 9.155 19.298 -17.727 1.00 54.01 H new ATOM 0 HG3 LYS A 39 8.624 18.089 -16.574 1.00 54.01 H new ATOM 0 HD2 LYS A 39 10.814 17.461 -16.002 1.00 44.05 H new ATOM 0 HD3 LYS A 39 11.479 17.962 -17.544 1.00 44.05 H new ATOM 0 HE2 LYS A 39 11.199 20.346 -16.938 1.00 41.14 H new ATOM 0 HE3 LYS A 39 10.408 19.902 -15.438 1.00 41.14 H new ATOM 0 HZ1 LYS A 39 12.559 20.226 -14.765 1.00 34.23 H new ATOM 0 HZ2 LYS A 39 12.575 18.551 -15.046 1.00 34.23 H new ATOM 0 HZ3 LYS A 39 13.236 19.611 -16.196 1.00 34.23 H new ATOM 606 N THR A 40 6.877 15.778 -19.367 1.00 65.31 N ATOM 607 CA THR A 40 5.925 15.146 -20.265 1.00 31.43 C ATOM 608 C THR A 40 6.180 15.586 -21.709 1.00 44.43 C ATOM 609 O THR A 40 6.307 16.778 -21.984 1.00 33.44 O ATOM 610 CB THR A 40 4.516 15.476 -19.769 1.00 11.21 C ATOM 611 OG1 THR A 40 4.306 16.820 -20.190 1.00 13.44 O ATOM 612 CG2 THR A 40 4.435 15.546 -18.242 1.00 70.11 C ATOM 0 H THR A 40 6.682 16.758 -19.160 1.00 65.31 H new ATOM 0 HA THR A 40 6.040 14.062 -20.264 1.00 31.43 H new ATOM 0 HB THR A 40 3.816 14.725 -20.136 1.00 11.21 H new ATOM 0 HG1 THR A 40 5.072 17.120 -20.722 1.00 13.44 H new ATOM 0 HG21 THR A 40 3.414 15.783 -17.942 1.00 70.11 H new ATOM 0 HG22 THR A 40 4.724 14.584 -17.818 1.00 70.11 H new ATOM 0 HG23 THR A 40 5.109 16.321 -17.877 1.00 70.11 H new ATOM 620 N GLY A 41 6.246 14.599 -22.591 1.00 74.22 N ATOM 621 CA GLY A 41 6.482 14.870 -23.999 1.00 71.51 C ATOM 622 C GLY A 41 7.927 14.544 -24.385 1.00 41.34 C ATOM 623 O GLY A 41 8.387 14.926 -25.459 1.00 43.02 O ATOM 0 H GLY A 41 6.140 13.612 -22.358 1.00 74.22 H new ATOM 0 HA2 GLY A 41 5.797 14.279 -24.607 1.00 71.51 H new ATOM 0 HA3 GLY A 41 6.273 15.918 -24.211 1.00 71.51 H new ATOM 627 N GLN A 42 8.601 13.841 -23.487 1.00 44.12 N ATOM 628 CA GLN A 42 9.984 13.460 -23.719 1.00 73.11 C ATOM 629 C GLN A 42 10.048 12.210 -24.600 1.00 50.22 C ATOM 630 O GLN A 42 10.909 12.105 -25.472 1.00 50.14 O ATOM 631 CB GLN A 42 10.721 13.237 -22.397 1.00 52.53 C ATOM 632 CG GLN A 42 11.330 14.543 -21.882 1.00 41.42 C ATOM 633 CD GLN A 42 10.257 15.622 -21.719 1.00 13.22 C ATOM 634 OE1 GLN A 42 9.663 15.788 -20.667 1.00 42.03 O ATOM 635 NE2 GLN A 42 10.044 16.343 -22.815 1.00 33.53 N ATOM 0 H GLN A 42 8.215 13.525 -22.597 1.00 44.12 H new ATOM 0 HA GLN A 42 10.483 14.276 -24.241 1.00 73.11 H new ATOM 0 HB2 GLN A 42 10.031 12.836 -21.655 1.00 52.53 H new ATOM 0 HB3 GLN A 42 11.507 12.495 -22.535 1.00 52.53 H new ATOM 0 HG2 GLN A 42 11.822 14.367 -20.925 1.00 41.42 H new ATOM 0 HG3 GLN A 42 12.097 14.889 -22.575 1.00 41.42 H new ATOM 0 HE21 GLN A 42 10.577 16.151 -23.663 1.00 33.53 H new ATOM 0 HE22 GLN A 42 9.348 17.088 -22.808 1.00 33.53 H new ATOM 644 N ALA A 43 9.127 11.294 -24.341 1.00 21.43 N ATOM 645 CA ALA A 43 9.068 10.056 -25.099 1.00 13.43 C ATOM 646 C ALA A 43 9.359 10.351 -26.572 1.00 25.42 C ATOM 647 O ALA A 43 8.479 10.801 -27.304 1.00 21.44 O ATOM 648 CB ALA A 43 7.703 9.395 -24.895 1.00 52.04 C ATOM 0 H ALA A 43 8.415 11.384 -23.616 1.00 21.43 H new ATOM 0 HA ALA A 43 9.825 9.355 -24.747 1.00 13.43 H new ATOM 0 HB1 ALA A 43 7.660 8.466 -25.464 1.00 52.04 H new ATOM 0 HB2 ALA A 43 7.558 9.179 -23.837 1.00 52.04 H new ATOM 0 HB3 ALA A 43 6.918 10.068 -25.239 1.00 52.04 H new ATOM 654 N PRO A 44 10.630 10.078 -26.972 1.00 54.23 N ATOM 655 CA PRO A 44 11.047 10.310 -28.345 1.00 32.32 C ATOM 656 C PRO A 44 10.486 9.235 -29.278 1.00 45.34 C ATOM 657 O PRO A 44 10.097 8.158 -28.827 1.00 73.41 O ATOM 658 CB PRO A 44 12.567 10.320 -28.297 1.00 53.35 C ATOM 659 CG PRO A 44 12.947 9.635 -26.994 1.00 23.34 C ATOM 660 CD PRO A 44 11.698 9.545 -26.134 1.00 50.12 C ATOM 0 HA PRO A 44 10.667 11.249 -28.747 1.00 32.32 H new ATOM 0 HB2 PRO A 44 12.988 9.793 -29.153 1.00 53.35 H new ATOM 0 HB3 PRO A 44 12.952 11.339 -28.329 1.00 53.35 H new ATOM 0 HG2 PRO A 44 13.349 8.641 -27.188 1.00 23.34 H new ATOM 0 HG3 PRO A 44 13.725 10.198 -26.479 1.00 23.34 H new ATOM 0 HD2 PRO A 44 11.494 8.516 -25.840 1.00 50.12 H new ATOM 0 HD3 PRO A 44 11.807 10.123 -25.216 1.00 50.12 H new ATOM 668 N GLY A 45 10.460 9.564 -30.561 1.00 22.12 N ATOM 669 CA GLY A 45 9.952 8.641 -31.561 1.00 73.44 C ATOM 670 C GLY A 45 8.490 8.285 -31.286 1.00 55.25 C ATOM 671 O GLY A 45 7.997 7.261 -31.757 1.00 72.31 O ATOM 0 H GLY A 45 10.783 10.458 -30.931 1.00 22.12 H new ATOM 0 HA2 GLY A 45 10.041 9.087 -32.552 1.00 73.44 H new ATOM 0 HA3 GLY A 45 10.556 7.734 -31.564 1.00 73.44 H new ATOM 675 N TYR A 46 7.836 9.151 -30.526 1.00 11.53 N ATOM 676 CA TYR A 46 6.439 8.941 -30.184 1.00 1.24 C ATOM 677 C TYR A 46 5.556 10.032 -30.793 1.00 3.31 C ATOM 678 O TYR A 46 6.060 11.021 -31.322 1.00 11.32 O ATOM 679 CB TYR A 46 6.362 9.031 -28.659 1.00 41.13 C ATOM 680 CG TYR A 46 5.016 8.594 -28.077 1.00 1.24 C ATOM 681 CD1 TYR A 46 4.361 7.497 -28.599 1.00 44.14 C ATOM 682 CD2 TYR A 46 4.454 9.299 -27.031 1.00 52.02 C ATOM 683 CE1 TYR A 46 3.095 7.086 -28.053 1.00 65.11 C ATOM 684 CE2 TYR A 46 3.187 8.888 -26.485 1.00 32.21 C ATOM 685 CZ TYR A 46 2.570 7.802 -27.022 1.00 34.24 C ATOM 686 OH TYR A 46 1.373 7.415 -26.506 1.00 1.12 O ATOM 0 H TYR A 46 8.247 10.000 -30.137 1.00 11.53 H new ATOM 0 HA TYR A 46 6.090 7.981 -30.565 1.00 1.24 H new ATOM 0 HB2 TYR A 46 7.150 8.413 -28.229 1.00 41.13 H new ATOM 0 HB3 TYR A 46 6.561 10.059 -28.355 1.00 41.13 H new ATOM 0 HD1 TYR A 46 4.799 6.947 -29.418 1.00 44.14 H new ATOM 0 HD2 TYR A 46 4.965 10.158 -26.623 1.00 52.02 H new ATOM 0 HE1 TYR A 46 2.573 6.229 -28.452 1.00 65.11 H new ATOM 0 HE2 TYR A 46 2.737 9.430 -25.667 1.00 32.21 H new ATOM 0 HH TYR A 46 1.272 6.445 -26.606 1.00 1.12 H new ATOM 696 N SER A 47 4.253 9.814 -30.697 1.00 12.14 N ATOM 697 CA SER A 47 3.293 10.766 -31.232 1.00 63.25 C ATOM 698 C SER A 47 2.342 11.227 -30.126 1.00 53.23 C ATOM 699 O SER A 47 1.137 10.992 -30.202 1.00 5.24 O ATOM 700 CB SER A 47 2.504 10.158 -32.393 1.00 53.34 C ATOM 701 OG SER A 47 3.327 9.359 -33.238 1.00 2.34 O ATOM 0 H SER A 47 3.839 8.992 -30.257 1.00 12.14 H new ATOM 0 HA SER A 47 3.841 11.628 -31.613 1.00 63.25 H new ATOM 0 HB2 SER A 47 1.690 9.549 -31.999 1.00 53.34 H new ATOM 0 HB3 SER A 47 2.049 10.956 -32.980 1.00 53.34 H new ATOM 0 HG SER A 47 2.786 8.988 -33.966 1.00 2.34 H new ATOM 707 N TYR A 48 2.919 11.875 -29.125 1.00 51.45 N ATOM 708 CA TYR A 48 2.137 12.371 -28.006 1.00 53.45 C ATOM 709 C TYR A 48 0.972 13.237 -28.490 1.00 22.32 C ATOM 710 O TYR A 48 0.693 13.294 -29.688 1.00 41.51 O ATOM 711 CB TYR A 48 3.089 13.237 -27.177 1.00 50.11 C ATOM 712 CG TYR A 48 3.750 12.495 -26.013 1.00 52.33 C ATOM 713 CD1 TYR A 48 2.970 11.913 -25.034 1.00 54.41 C ATOM 714 CD2 TYR A 48 5.125 12.408 -25.941 1.00 33.34 C ATOM 715 CE1 TYR A 48 3.591 11.216 -23.938 1.00 15.30 C ATOM 716 CE2 TYR A 48 5.746 11.711 -24.845 1.00 74.44 C ATOM 717 CZ TYR A 48 4.948 11.149 -23.898 1.00 60.15 C ATOM 718 OH TYR A 48 5.536 10.490 -22.863 1.00 3.35 O ATOM 0 H TYR A 48 3.919 12.068 -29.066 1.00 51.45 H new ATOM 0 HA TYR A 48 1.719 11.543 -27.434 1.00 53.45 H new ATOM 0 HB2 TYR A 48 3.866 13.633 -27.831 1.00 50.11 H new ATOM 0 HB3 TYR A 48 2.538 14.091 -26.784 1.00 50.11 H new ATOM 0 HD1 TYR A 48 1.894 11.981 -25.090 1.00 54.41 H new ATOM 0 HD2 TYR A 48 5.736 12.863 -26.707 1.00 33.34 H new ATOM 0 HE1 TYR A 48 2.992 10.757 -23.165 1.00 15.30 H new ATOM 0 HE2 TYR A 48 6.821 11.636 -24.776 1.00 74.44 H new ATOM 0 HH TYR A 48 4.866 9.944 -22.400 1.00 3.35 H new ATOM 728 N THR A 49 0.325 13.890 -27.537 1.00 35.11 N ATOM 729 CA THR A 49 -0.804 14.749 -27.852 1.00 64.22 C ATOM 730 C THR A 49 -0.447 16.214 -27.590 1.00 54.14 C ATOM 731 O THR A 49 0.439 16.507 -26.789 1.00 75.51 O ATOM 732 CB THR A 49 -2.008 14.263 -27.044 1.00 13.11 C ATOM 733 OG1 THR A 49 -1.611 14.439 -25.687 1.00 51.35 O ATOM 734 CG2 THR A 49 -2.232 12.755 -27.175 1.00 63.01 C ATOM 0 H THR A 49 0.561 13.842 -26.546 1.00 35.11 H new ATOM 0 HA THR A 49 -1.061 14.693 -28.910 1.00 64.22 H new ATOM 0 HB THR A 49 -2.902 14.792 -27.373 1.00 13.11 H new ATOM 0 HG1 THR A 49 -2.165 13.875 -25.108 1.00 51.35 H new ATOM 0 HG21 THR A 49 -3.099 12.463 -26.582 1.00 63.01 H new ATOM 0 HG22 THR A 49 -2.406 12.503 -28.221 1.00 63.01 H new ATOM 0 HG23 THR A 49 -1.351 12.224 -26.816 1.00 63.01 H new ATOM 742 N ALA A 50 -1.156 17.095 -28.281 1.00 24.34 N ATOM 743 CA ALA A 50 -0.926 18.521 -28.133 1.00 24.32 C ATOM 744 C ALA A 50 -1.301 18.950 -26.713 1.00 54.32 C ATOM 745 O ALA A 50 -0.987 20.062 -26.293 1.00 62.11 O ATOM 746 CB ALA A 50 -1.718 19.280 -29.201 1.00 42.13 C ATOM 0 H ALA A 50 -1.890 16.848 -28.945 1.00 24.34 H new ATOM 0 HA ALA A 50 0.128 18.757 -28.280 1.00 24.32 H new ATOM 0 HB1 ALA A 50 -1.545 20.350 -29.090 1.00 42.13 H new ATOM 0 HB2 ALA A 50 -1.392 18.961 -30.191 1.00 42.13 H new ATOM 0 HB3 ALA A 50 -2.781 19.070 -29.084 1.00 42.13 H new ATOM 752 N ALA A 51 -1.970 18.045 -26.014 1.00 13.53 N ATOM 753 CA ALA A 51 -2.392 18.315 -24.650 1.00 20.33 C ATOM 754 C ALA A 51 -1.407 17.664 -23.677 1.00 71.23 C ATOM 755 O ALA A 51 -1.481 17.888 -22.470 1.00 42.11 O ATOM 756 CB ALA A 51 -3.826 17.817 -24.451 1.00 31.52 C ATOM 0 H ALA A 51 -2.230 17.124 -26.367 1.00 13.53 H new ATOM 0 HA ALA A 51 -2.389 19.387 -24.452 1.00 20.33 H new ATOM 0 HB1 ALA A 51 -4.143 18.019 -23.428 1.00 31.52 H new ATOM 0 HB2 ALA A 51 -4.490 18.332 -25.145 1.00 31.52 H new ATOM 0 HB3 ALA A 51 -3.868 16.744 -24.638 1.00 31.52 H new ATOM 762 N ASN A 52 -0.508 16.870 -24.239 1.00 33.55 N ATOM 763 CA ASN A 52 0.491 16.184 -23.437 1.00 3.30 C ATOM 764 C ASN A 52 1.643 17.145 -23.135 1.00 32.21 C ATOM 765 O ASN A 52 1.883 17.488 -21.978 1.00 0.33 O ATOM 766 CB ASN A 52 1.064 14.978 -24.183 1.00 62.11 C ATOM 767 CG ASN A 52 2.303 14.431 -23.471 1.00 74.35 C ATOM 768 OD1 ASN A 52 3.376 14.312 -24.040 1.00 73.55 O ATOM 769 ND2 ASN A 52 2.096 14.106 -22.198 1.00 24.25 N ATOM 0 H ASN A 52 -0.450 16.686 -25.241 1.00 33.55 H new ATOM 0 HA ASN A 52 0.011 15.844 -22.519 1.00 3.30 H new ATOM 0 HB2 ASN A 52 0.307 14.197 -24.255 1.00 62.11 H new ATOM 0 HB3 ASN A 52 1.323 15.266 -25.202 1.00 62.11 H new ATOM 0 HD21 ASN A 52 2.861 13.732 -21.636 1.00 24.25 H new ATOM 0 HD22 ASN A 52 1.172 14.231 -21.783 1.00 24.25 H new ATOM 776 N LYS A 53 2.326 17.550 -24.195 1.00 51.52 N ATOM 777 CA LYS A 53 3.448 18.464 -24.058 1.00 63.12 C ATOM 778 C LYS A 53 2.938 19.819 -23.565 1.00 71.04 C ATOM 779 O LYS A 53 3.719 20.646 -23.095 1.00 34.03 O ATOM 780 CB LYS A 53 4.238 18.542 -25.365 1.00 51.14 C ATOM 781 CG LYS A 53 4.280 17.182 -26.063 1.00 72.33 C ATOM 782 CD LYS A 53 3.328 17.149 -27.261 1.00 61.33 C ATOM 783 CE LYS A 53 4.055 17.543 -28.549 1.00 25.12 C ATOM 784 NZ LYS A 53 5.147 18.497 -28.257 1.00 11.21 N1+ ATOM 0 H LYS A 53 2.125 17.262 -25.153 1.00 51.52 H new ATOM 0 HA LYS A 53 4.151 18.096 -23.310 1.00 63.12 H new ATOM 0 HB2 LYS A 53 3.783 19.280 -26.026 1.00 51.14 H new ATOM 0 HB3 LYS A 53 5.254 18.881 -25.160 1.00 51.14 H new ATOM 0 HG2 LYS A 53 5.296 16.972 -26.396 1.00 72.33 H new ATOM 0 HG3 LYS A 53 4.008 16.398 -25.356 1.00 72.33 H new ATOM 0 HD2 LYS A 53 2.907 16.149 -27.368 1.00 61.33 H new ATOM 0 HD3 LYS A 53 2.494 17.829 -27.087 1.00 61.33 H new ATOM 0 HE2 LYS A 53 4.461 16.654 -29.031 1.00 25.12 H new ATOM 0 HE3 LYS A 53 3.350 17.991 -29.249 1.00 25.12 H new ATOM 0 HZ1 LYS A 53 5.563 18.832 -29.149 1.00 11.21 H new ATOM 0 HZ2 LYS A 53 4.768 19.307 -27.726 1.00 11.21 H new ATOM 0 HZ3 LYS A 53 5.879 18.024 -27.690 1.00 11.21 H new ATOM 797 N ASN A 54 1.633 20.006 -23.688 1.00 23.11 N ATOM 798 CA ASN A 54 1.010 21.247 -23.261 1.00 62.43 C ATOM 799 C ASN A 54 1.466 21.577 -21.838 1.00 74.05 C ATOM 800 O ASN A 54 2.162 22.567 -21.619 1.00 24.23 O ATOM 801 CB ASN A 54 -0.515 21.123 -23.252 1.00 40.12 C ATOM 802 CG ASN A 54 -1.176 22.495 -23.093 1.00 73.51 C ATOM 803 OD1 ASN A 54 -1.120 23.121 -22.047 1.00 23.41 O ATOM 804 ND2 ASN A 54 -1.801 22.924 -24.185 1.00 32.23 N ATOM 0 H ASN A 54 0.989 19.318 -24.078 1.00 23.11 H new ATOM 0 HA ASN A 54 1.304 22.030 -23.960 1.00 62.43 H new ATOM 0 HB2 ASN A 54 -0.851 20.659 -24.179 1.00 40.12 H new ATOM 0 HB3 ASN A 54 -0.825 20.469 -22.437 1.00 40.12 H new ATOM 0 HD21 ASN A 54 -2.273 23.828 -24.181 1.00 32.23 H new ATOM 0 HD22 ASN A 54 -1.809 22.349 -25.027 1.00 32.23 H new ATOM 811 N LYS A 55 1.052 20.730 -20.907 1.00 72.24 N ATOM 812 CA LYS A 55 1.409 20.919 -19.511 1.00 1.14 C ATOM 813 C LYS A 55 2.927 21.073 -19.394 1.00 53.42 C ATOM 814 O LYS A 55 3.438 22.190 -19.320 1.00 12.22 O ATOM 815 CB LYS A 55 0.837 19.789 -18.654 1.00 73.04 C ATOM 816 CG LYS A 55 -0.691 19.775 -18.713 1.00 64.50 C ATOM 817 CD LYS A 55 -1.277 21.033 -18.068 1.00 75.50 C ATOM 818 CE LYS A 55 -0.669 21.274 -16.685 1.00 64.34 C ATOM 819 NZ LYS A 55 -0.765 20.051 -15.857 1.00 3.42 N1+ ATOM 0 H LYS A 55 0.473 19.911 -21.092 1.00 72.24 H new ATOM 0 HA LYS A 55 0.965 21.836 -19.125 1.00 1.14 H new ATOM 0 HB2 LYS A 55 1.227 18.832 -19.001 1.00 73.04 H new ATOM 0 HB3 LYS A 55 1.163 19.910 -17.621 1.00 73.04 H new ATOM 0 HG2 LYS A 55 -1.018 19.708 -19.751 1.00 64.50 H new ATOM 0 HG3 LYS A 55 -1.070 18.890 -18.202 1.00 64.50 H new ATOM 0 HD2 LYS A 55 -1.088 21.895 -18.707 1.00 75.50 H new ATOM 0 HD3 LYS A 55 -2.359 20.931 -17.981 1.00 75.50 H new ATOM 0 HE2 LYS A 55 0.375 21.571 -16.787 1.00 64.34 H new ATOM 0 HE3 LYS A 55 -1.187 22.096 -16.191 1.00 64.34 H new ATOM 0 HZ1 LYS A 55 -0.979 20.313 -14.874 1.00 3.42 H new ATOM 0 HZ2 LYS A 55 -1.522 19.441 -16.225 1.00 3.42 H new ATOM 0 HZ3 LYS A 55 0.139 19.538 -15.889 1.00 3.42 H new ATOM 832 N GLY A 56 3.606 19.935 -19.379 1.00 41.10 N ATOM 833 CA GLY A 56 5.055 19.929 -19.272 1.00 23.55 C ATOM 834 C GLY A 56 5.496 19.958 -17.807 1.00 73.03 C ATOM 835 O GLY A 56 6.331 20.774 -17.423 1.00 71.12 O ATOM 0 H GLY A 56 3.179 19.011 -19.439 1.00 41.10 H new ATOM 0 HA2 GLY A 56 5.456 19.040 -19.759 1.00 23.55 H new ATOM 0 HA3 GLY A 56 5.466 20.792 -19.796 1.00 23.55 H new ATOM 839 N ILE A 57 4.915 19.056 -17.029 1.00 34.25 N ATOM 840 CA ILE A 57 5.238 18.968 -15.615 1.00 4.20 C ATOM 841 C ILE A 57 5.996 17.666 -15.350 1.00 44.42 C ATOM 842 O ILE A 57 5.797 16.673 -16.050 1.00 10.04 O ATOM 843 CB ILE A 57 3.976 19.129 -14.766 1.00 10.34 C ATOM 844 CG1 ILE A 57 2.752 18.561 -15.490 1.00 23.30 C ATOM 845 CG2 ILE A 57 3.773 20.589 -14.357 1.00 35.13 C ATOM 846 CD1 ILE A 57 2.889 17.051 -15.697 1.00 51.13 C ATOM 0 H ILE A 57 4.223 18.380 -17.351 1.00 34.25 H new ATOM 0 HA ILE A 57 5.897 19.786 -15.323 1.00 4.20 H new ATOM 0 HB ILE A 57 4.105 18.553 -13.850 1.00 10.34 H new ATOM 0 HG12 ILE A 57 1.853 18.772 -14.912 1.00 23.30 H new ATOM 0 HG13 ILE A 57 2.634 19.055 -16.455 1.00 23.30 H new ATOM 0 HG21 ILE A 57 2.869 20.676 -13.754 1.00 35.13 H new ATOM 0 HG22 ILE A 57 4.631 20.927 -13.775 1.00 35.13 H new ATOM 0 HG23 ILE A 57 3.674 21.207 -15.250 1.00 35.13 H new ATOM 0 HD11 ILE A 57 2.007 16.673 -16.213 1.00 51.13 H new ATOM 0 HD12 ILE A 57 3.776 16.845 -16.296 1.00 51.13 H new ATOM 0 HD13 ILE A 57 2.982 16.558 -14.729 1.00 51.13 H new ATOM 858 N ILE A 58 6.849 17.710 -14.337 1.00 31.21 N ATOM 859 CA ILE A 58 7.637 16.546 -13.970 1.00 43.43 C ATOM 860 C ILE A 58 6.735 15.522 -13.279 1.00 60.14 C ATOM 861 O ILE A 58 6.163 15.804 -12.227 1.00 21.20 O ATOM 862 CB ILE A 58 8.850 16.962 -13.135 1.00 45.12 C ATOM 863 CG1 ILE A 58 9.469 18.253 -13.673 1.00 53.42 C ATOM 864 CG2 ILE A 58 9.872 15.827 -13.051 1.00 60.01 C ATOM 865 CD1 ILE A 58 10.912 18.413 -13.188 1.00 11.43 C ATOM 0 H ILE A 58 7.012 18.534 -13.759 1.00 31.21 H new ATOM 0 HA ILE A 58 8.042 16.064 -14.860 1.00 43.43 H new ATOM 0 HB ILE A 58 8.512 17.167 -12.119 1.00 45.12 H new ATOM 0 HG12 ILE A 58 9.447 18.245 -14.763 1.00 53.42 H new ATOM 0 HG13 ILE A 58 8.876 19.108 -13.349 1.00 53.42 H new ATOM 0 HG21 ILE A 58 10.724 16.148 -12.452 1.00 60.01 H new ATOM 0 HG22 ILE A 58 9.410 14.955 -12.587 1.00 60.01 H new ATOM 0 HG23 ILE A 58 10.211 15.567 -14.054 1.00 60.01 H new ATOM 0 HD11 ILE A 58 11.329 19.339 -13.585 1.00 11.43 H new ATOM 0 HD12 ILE A 58 10.928 18.445 -12.099 1.00 11.43 H new ATOM 0 HD13 ILE A 58 11.508 17.569 -13.535 1.00 11.43 H new ATOM 877 N TRP A 59 6.637 14.354 -13.897 1.00 42.03 N ATOM 878 CA TRP A 59 5.815 13.286 -13.354 1.00 53.42 C ATOM 879 C TRP A 59 6.478 12.785 -12.071 1.00 35.14 C ATOM 880 O TRP A 59 7.704 12.740 -11.978 1.00 11.40 O ATOM 881 CB TRP A 59 5.600 12.180 -14.389 1.00 61.43 C ATOM 882 CG TRP A 59 4.667 12.571 -15.536 1.00 4.33 C ATOM 883 CD1 TRP A 59 4.922 12.550 -16.850 1.00 71.34 C ATOM 884 CD2 TRP A 59 3.309 13.046 -15.416 1.00 13.24 C ATOM 885 NE1 TRP A 59 3.833 12.976 -17.584 1.00 20.21 N ATOM 886 CE2 TRP A 59 2.821 13.287 -16.683 1.00 13.32 C ATOM 887 CE3 TRP A 59 2.520 13.265 -14.272 1.00 30.40 C ATOM 888 CZ2 TRP A 59 1.526 13.759 -16.929 1.00 41.54 C ATOM 889 CZ3 TRP A 59 1.229 13.738 -14.535 1.00 15.13 C ATOM 890 CH2 TRP A 59 0.722 13.985 -15.806 1.00 21.05 C ATOM 0 H TRP A 59 7.114 14.124 -14.769 1.00 42.03 H new ATOM 0 HA TRP A 59 4.818 13.652 -13.109 1.00 53.42 H new ATOM 0 HB2 TRP A 59 6.566 11.892 -14.803 1.00 61.43 H new ATOM 0 HB3 TRP A 59 5.193 11.302 -13.887 1.00 61.43 H new ATOM 0 HD1 TRP A 59 5.862 12.239 -17.282 1.00 71.34 H new ATOM 0 HE1 TRP A 59 3.781 13.049 -18.600 1.00 20.21 H new ATOM 0 HE3 TRP A 59 2.881 13.083 -13.271 1.00 30.40 H new ATOM 0 HZ2 TRP A 59 1.167 13.939 -17.931 1.00 41.54 H new ATOM 0 HZ3 TRP A 59 0.581 13.924 -13.691 1.00 15.13 H new ATOM 0 HH2 TRP A 59 -0.288 14.350 -15.926 1.00 21.05 H new ATOM 901 N GLY A 60 5.639 12.421 -11.112 1.00 53.12 N ATOM 902 CA GLY A 60 6.130 11.924 -9.837 1.00 65.12 C ATOM 903 C GLY A 60 4.998 11.289 -9.025 1.00 54.35 C ATOM 904 O GLY A 60 4.108 10.654 -9.586 1.00 52.13 O ATOM 0 H GLY A 60 4.623 12.460 -11.192 1.00 53.12 H new ATOM 0 HA2 GLY A 60 6.917 11.189 -10.007 1.00 65.12 H new ATOM 0 HA3 GLY A 60 6.575 12.742 -9.270 1.00 65.12 H new ATOM 908 N GLU A 61 5.072 11.484 -7.716 1.00 1.21 N ATOM 909 CA GLU A 61 4.066 10.938 -6.821 1.00 74.52 C ATOM 910 C GLU A 61 2.912 11.928 -6.652 1.00 21.13 C ATOM 911 O GLU A 61 1.801 11.537 -6.297 1.00 72.12 O ATOM 912 CB GLU A 61 4.677 10.571 -5.467 1.00 44.23 C ATOM 913 CG GLU A 61 5.887 9.651 -5.643 1.00 1.31 C ATOM 914 CD GLU A 61 7.180 10.461 -5.752 1.00 23.15 C ATOM 915 OE1 GLU A 61 7.712 10.634 -6.859 1.00 64.15 O ATOM 916 OE2 GLU A 61 7.633 10.920 -4.634 1.00 43.33 O1- ATOM 0 H GLU A 61 5.813 12.012 -7.254 1.00 1.21 H new ATOM 0 HA GLU A 61 3.672 10.023 -7.264 1.00 74.52 H new ATOM 0 HB2 GLU A 61 4.978 11.478 -4.942 1.00 44.23 H new ATOM 0 HB3 GLU A 61 3.928 10.078 -4.847 1.00 44.23 H new ATOM 0 HG2 GLU A 61 5.953 8.966 -4.798 1.00 1.31 H new ATOM 0 HG3 GLU A 61 5.758 9.042 -6.538 1.00 1.31 H new ATOM 924 N ASP A 62 3.216 13.191 -6.914 1.00 52.34 N ATOM 925 CA ASP A 62 2.217 14.241 -6.795 1.00 22.22 C ATOM 926 C ASP A 62 1.536 14.447 -8.150 1.00 44.15 C ATOM 927 O ASP A 62 0.340 14.199 -8.291 1.00 22.13 O ATOM 928 CB ASP A 62 2.859 15.566 -6.383 1.00 1.41 C ATOM 929 CG ASP A 62 2.986 15.782 -4.874 1.00 52.20 C ATOM 930 OD1 ASP A 62 3.428 16.845 -4.415 1.00 2.01 O ATOM 931 OD2 ASP A 62 2.601 14.788 -4.148 1.00 21.24 O1- ATOM 0 H ASP A 62 4.139 13.511 -7.208 1.00 52.34 H new ATOM 0 HA ASP A 62 1.497 13.937 -6.036 1.00 22.22 H new ATOM 0 HB2 ASP A 62 3.852 15.625 -6.828 1.00 1.41 H new ATOM 0 HB3 ASP A 62 2.272 16.383 -6.804 1.00 1.41 H new ATOM 937 N THR A 63 2.328 14.897 -9.112 1.00 72.52 N ATOM 938 CA THR A 63 1.817 15.139 -10.451 1.00 21.51 C ATOM 939 C THR A 63 0.901 13.993 -10.887 1.00 21.32 C ATOM 940 O THR A 63 -0.106 14.219 -11.554 1.00 40.52 O ATOM 941 CB THR A 63 3.011 15.350 -11.382 1.00 0.41 C ATOM 942 OG1 THR A 63 3.977 14.407 -10.927 1.00 52.45 O ATOM 943 CG2 THR A 63 3.686 16.707 -11.171 1.00 31.44 C ATOM 0 H THR A 63 3.320 15.100 -8.991 1.00 72.52 H new ATOM 0 HA THR A 63 1.200 16.037 -10.483 1.00 21.51 H new ATOM 0 HB THR A 63 2.682 15.266 -12.418 1.00 0.41 H new ATOM 0 HG1 THR A 63 4.877 14.730 -11.142 1.00 52.45 H new ATOM 0 HG21 THR A 63 4.527 16.805 -11.857 1.00 31.44 H new ATOM 0 HG22 THR A 63 2.967 17.504 -11.361 1.00 31.44 H new ATOM 0 HG23 THR A 63 4.045 16.779 -10.144 1.00 31.44 H new ATOM 951 N LEU A 64 1.285 12.788 -10.491 1.00 13.22 N ATOM 952 CA LEU A 64 0.511 11.607 -10.833 1.00 63.53 C ATOM 953 C LEU A 64 -0.796 11.612 -10.039 1.00 64.34 C ATOM 954 O LEU A 64 -1.870 11.808 -10.606 1.00 55.10 O ATOM 955 CB LEU A 64 1.349 10.341 -10.632 1.00 44.42 C ATOM 956 CG LEU A 64 2.395 10.052 -11.710 1.00 60.21 C ATOM 957 CD1 LEU A 64 3.290 8.879 -11.304 1.00 64.04 C ATOM 958 CD2 LEU A 64 1.732 9.822 -13.070 1.00 52.11 C ATOM 0 H LEU A 64 2.121 12.604 -9.937 1.00 13.22 H new ATOM 0 HA LEU A 64 0.242 11.620 -11.889 1.00 63.53 H new ATOM 0 HB2 LEU A 64 1.857 10.414 -9.671 1.00 44.42 H new ATOM 0 HB3 LEU A 64 0.673 9.488 -10.571 1.00 44.42 H new ATOM 0 HG LEU A 64 3.036 10.928 -11.808 1.00 60.21 H new ATOM 0 HD11 LEU A 64 4.025 8.694 -12.087 1.00 64.04 H new ATOM 0 HD12 LEU A 64 3.804 9.119 -10.373 1.00 64.04 H new ATOM 0 HD13 LEU A 64 2.679 7.988 -11.162 1.00 64.04 H new ATOM 0 HD21 LEU A 64 2.498 9.619 -13.818 1.00 52.11 H new ATOM 0 HD22 LEU A 64 1.053 8.971 -13.005 1.00 52.11 H new ATOM 0 HD23 LEU A 64 1.172 10.712 -13.357 1.00 52.11 H new ATOM 970 N MET A 65 -0.663 11.393 -8.739 1.00 33.24 N ATOM 971 CA MET A 65 -1.820 11.370 -7.861 1.00 54.13 C ATOM 972 C MET A 65 -2.841 12.433 -8.271 1.00 25.33 C ATOM 973 O MET A 65 -4.042 12.254 -8.073 1.00 22.02 O ATOM 974 CB MET A 65 -1.373 11.622 -6.420 1.00 42.51 C ATOM 975 CG MET A 65 -0.899 10.325 -5.758 1.00 50.02 C ATOM 976 SD MET A 65 -1.038 10.459 -3.984 1.00 13.13 S ATOM 977 CE MET A 65 -2.519 9.496 -3.717 1.00 15.21 C ATOM 0 H MET A 65 0.229 11.230 -8.273 1.00 33.24 H new ATOM 0 HA MET A 65 -2.292 10.390 -7.939 1.00 54.13 H new ATOM 0 HB2 MET A 65 -0.567 12.356 -6.408 1.00 42.51 H new ATOM 0 HB3 MET A 65 -2.199 12.046 -5.848 1.00 42.51 H new ATOM 0 HG2 MET A 65 -1.495 9.486 -6.115 1.00 50.02 H new ATOM 0 HG3 MET A 65 0.135 10.122 -6.036 1.00 50.02 H new ATOM 0 HE1 MET A 65 -2.476 9.028 -2.733 1.00 15.21 H new ATOM 0 HE2 MET A 65 -3.391 10.147 -3.771 1.00 15.21 H new ATOM 0 HE3 MET A 65 -2.594 8.724 -4.483 1.00 15.21 H new ATOM 987 N GLU A 66 -2.327 13.515 -8.837 1.00 74.14 N ATOM 988 CA GLU A 66 -3.179 14.605 -9.278 1.00 73.33 C ATOM 989 C GLU A 66 -3.774 14.293 -10.653 1.00 2.43 C ATOM 990 O GLU A 66 -4.983 14.404 -10.849 1.00 72.31 O ATOM 991 CB GLU A 66 -2.409 15.928 -9.302 1.00 53.20 C ATOM 992 CG GLU A 66 -3.347 17.104 -9.582 1.00 12.14 C ATOM 993 CD GLU A 66 -2.634 18.438 -9.358 1.00 45.11 C ATOM 994 OE1 GLU A 66 -1.663 18.502 -8.590 1.00 41.11 O ATOM 995 OE2 GLU A 66 -3.122 19.435 -10.017 1.00 22.52 O1- ATOM 0 H GLU A 66 -1.331 13.660 -9.000 1.00 74.14 H new ATOM 0 HA GLU A 66 -3.997 14.710 -8.565 1.00 73.33 H new ATOM 0 HB2 GLU A 66 -1.907 16.078 -8.346 1.00 53.20 H new ATOM 0 HB3 GLU A 66 -1.633 15.887 -10.066 1.00 53.20 H new ATOM 0 HG2 GLU A 66 -3.709 17.049 -10.609 1.00 12.14 H new ATOM 0 HG3 GLU A 66 -4.220 17.040 -8.932 1.00 12.14 H new ATOM 1003 N TYR A 67 -2.897 13.907 -11.568 1.00 23.00 N ATOM 1004 CA TYR A 67 -3.321 13.578 -12.918 1.00 3.25 C ATOM 1005 C TYR A 67 -4.267 12.376 -12.917 1.00 54.14 C ATOM 1006 O TYR A 67 -5.396 12.469 -13.396 1.00 20.25 O ATOM 1007 CB TYR A 67 -2.047 13.209 -13.681 1.00 71.14 C ATOM 1008 CG TYR A 67 -2.301 12.644 -15.081 1.00 24.31 C ATOM 1009 CD1 TYR A 67 -2.896 13.433 -16.044 1.00 64.21 C ATOM 1010 CD2 TYR A 67 -1.936 11.347 -15.378 1.00 40.42 C ATOM 1011 CE1 TYR A 67 -3.136 12.902 -17.362 1.00 44.34 C ATOM 1012 CE2 TYR A 67 -2.175 10.816 -16.696 1.00 20.05 C ATOM 1013 CZ TYR A 67 -2.764 11.620 -17.622 1.00 2.03 C ATOM 1014 OH TYR A 67 -2.990 11.118 -18.866 1.00 60.35 O ATOM 0 H TYR A 67 -1.895 13.815 -11.401 1.00 23.00 H new ATOM 0 HA TYR A 67 -3.851 14.417 -13.370 1.00 3.25 H new ATOM 0 HB2 TYR A 67 -1.418 14.095 -13.767 1.00 71.14 H new ATOM 0 HB3 TYR A 67 -1.488 12.475 -13.100 1.00 71.14 H new ATOM 0 HD1 TYR A 67 -3.182 14.448 -15.810 1.00 64.21 H new ATOM 0 HD2 TYR A 67 -1.471 10.730 -14.623 1.00 40.42 H new ATOM 0 HE1 TYR A 67 -3.601 13.508 -18.126 1.00 44.34 H new ATOM 0 HE2 TYR A 67 -1.893 9.803 -16.943 1.00 20.05 H new ATOM 0 HH TYR A 67 -3.229 10.170 -18.798 1.00 60.35 H new ATOM 1024 N LEU A 68 -3.771 11.272 -12.376 1.00 23.24 N ATOM 1025 CA LEU A 68 -4.558 10.053 -12.306 1.00 1.14 C ATOM 1026 C LEU A 68 -6.000 10.402 -11.931 1.00 70.03 C ATOM 1027 O LEU A 68 -6.942 9.946 -12.576 1.00 54.01 O ATOM 1028 CB LEU A 68 -3.903 9.045 -11.361 1.00 71.15 C ATOM 1029 CG LEU A 68 -2.864 8.114 -11.988 1.00 40.05 C ATOM 1030 CD1 LEU A 68 -3.533 6.889 -12.614 1.00 22.43 C ATOM 1031 CD2 LEU A 68 -1.989 8.867 -12.993 1.00 54.34 C ATOM 0 H LEU A 68 -2.833 11.197 -11.982 1.00 23.24 H new ATOM 0 HA LEU A 68 -4.591 9.565 -13.280 1.00 1.14 H new ATOM 0 HB2 LEU A 68 -3.426 9.595 -10.549 1.00 71.15 H new ATOM 0 HB3 LEU A 68 -4.687 8.433 -10.914 1.00 71.15 H new ATOM 0 HG LEU A 68 -2.207 7.752 -11.197 1.00 40.05 H new ATOM 0 HD11 LEU A 68 -2.772 6.243 -13.053 1.00 22.43 H new ATOM 0 HD12 LEU A 68 -4.077 6.339 -11.846 1.00 22.43 H new ATOM 0 HD13 LEU A 68 -4.228 7.211 -13.390 1.00 22.43 H new ATOM 0 HD21 LEU A 68 -1.259 8.182 -13.424 1.00 54.34 H new ATOM 0 HD22 LEU A 68 -2.615 9.276 -13.786 1.00 54.34 H new ATOM 0 HD23 LEU A 68 -1.469 9.680 -12.486 1.00 54.34 H new ATOM 1043 N GLU A 69 -6.127 11.209 -10.887 1.00 20.13 N ATOM 1044 CA GLU A 69 -7.437 11.624 -10.418 1.00 44.21 C ATOM 1045 C GLU A 69 -8.301 12.085 -11.593 1.00 21.20 C ATOM 1046 O GLU A 69 -9.474 11.726 -11.684 1.00 32.34 O ATOM 1047 CB GLU A 69 -7.318 12.725 -9.361 1.00 23.33 C ATOM 1048 CG GLU A 69 -8.688 13.320 -9.032 1.00 33.31 C ATOM 1049 CD GLU A 69 -8.595 14.293 -7.855 1.00 75.21 C ATOM 1050 OE1 GLU A 69 -8.280 13.876 -6.730 1.00 44.32 O ATOM 1051 OE2 GLU A 69 -8.862 15.522 -8.140 1.00 54.32 O1- ATOM 0 H GLU A 69 -5.344 11.586 -10.353 1.00 20.13 H new ATOM 0 HA GLU A 69 -7.921 10.767 -9.950 1.00 44.21 H new ATOM 0 HB2 GLU A 69 -6.868 12.318 -8.456 1.00 23.33 H new ATOM 0 HB3 GLU A 69 -6.654 13.510 -9.722 1.00 23.33 H new ATOM 0 HG2 GLU A 69 -9.083 13.838 -9.906 1.00 33.31 H new ATOM 0 HG3 GLU A 69 -9.388 12.520 -8.792 1.00 33.31 H new ATOM 1059 N ASN A 70 -7.687 12.872 -12.465 1.00 12.20 N ATOM 1060 CA ASN A 70 -8.386 13.384 -13.631 1.00 10.35 C ATOM 1061 C ASN A 70 -7.375 13.658 -14.747 1.00 50.13 C ATOM 1062 O ASN A 70 -6.850 14.765 -14.857 1.00 4.21 O ATOM 1063 CB ASN A 70 -9.103 14.698 -13.311 1.00 54.31 C ATOM 1064 CG ASN A 70 -8.225 15.605 -12.447 1.00 33.25 C ATOM 1065 OD1 ASN A 70 -7.008 15.505 -12.433 1.00 62.01 O ATOM 1066 ND2 ASN A 70 -8.905 16.493 -11.729 1.00 64.01 N ATOM 0 H ASN A 70 -6.714 13.167 -12.387 1.00 12.20 H new ATOM 0 HA ASN A 70 -9.119 12.638 -13.939 1.00 10.35 H new ATOM 0 HB2 ASN A 70 -9.361 15.211 -14.238 1.00 54.31 H new ATOM 0 HB3 ASN A 70 -10.038 14.489 -12.792 1.00 54.31 H new ATOM 0 HD21 ASN A 70 -8.409 17.144 -11.120 1.00 64.01 H new ATOM 0 HD22 ASN A 70 -9.923 16.524 -11.787 1.00 64.01 H new ATOM 1073 N PRO A 71 -7.125 12.601 -15.567 1.00 2.03 N ATOM 1074 CA PRO A 71 -6.186 12.717 -16.669 1.00 62.33 C ATOM 1075 C PRO A 71 -6.792 13.516 -17.825 1.00 21.13 C ATOM 1076 O PRO A 71 -6.090 13.887 -18.764 1.00 13.34 O ATOM 1077 CB PRO A 71 -5.849 11.285 -17.050 1.00 51.50 C ATOM 1078 CG PRO A 71 -6.956 10.426 -16.463 1.00 20.32 C ATOM 1079 CD PRO A 71 -7.727 11.276 -15.466 1.00 43.43 C ATOM 0 HA PRO A 71 -5.285 13.266 -16.397 1.00 62.33 H new ATOM 0 HB2 PRO A 71 -5.798 11.171 -18.133 1.00 51.50 H new ATOM 0 HB3 PRO A 71 -4.877 10.994 -16.653 1.00 51.50 H new ATOM 0 HG2 PRO A 71 -7.618 10.066 -17.250 1.00 20.32 H new ATOM 0 HG3 PRO A 71 -6.538 9.547 -15.972 1.00 20.32 H new ATOM 0 HD2 PRO A 71 -8.790 11.304 -15.708 1.00 43.43 H new ATOM 0 HD3 PRO A 71 -7.640 10.877 -14.455 1.00 43.43 H new ATOM 1087 N LYS A 72 -8.091 13.756 -17.719 1.00 52.22 N ATOM 1088 CA LYS A 72 -8.800 14.505 -18.743 1.00 43.01 C ATOM 1089 C LYS A 72 -8.581 16.002 -18.518 1.00 54.30 C ATOM 1090 O LYS A 72 -7.999 16.681 -19.363 1.00 52.53 O ATOM 1091 CB LYS A 72 -10.275 14.098 -18.780 1.00 3.34 C ATOM 1092 CG LYS A 72 -11.145 15.238 -19.312 1.00 13.21 C ATOM 1093 CD LYS A 72 -12.316 14.695 -20.134 1.00 21.22 C ATOM 1094 CE LYS A 72 -13.518 14.385 -19.239 1.00 74.53 C ATOM 1095 NZ LYS A 72 -14.317 15.609 -19.003 1.00 65.43 N1+ ATOM 0 H LYS A 72 -8.671 13.445 -16.940 1.00 52.22 H new ATOM 0 HA LYS A 72 -8.403 14.269 -19.730 1.00 43.01 H new ATOM 0 HB2 LYS A 72 -10.397 13.218 -19.411 1.00 3.34 H new ATOM 0 HB3 LYS A 72 -10.605 13.821 -17.779 1.00 3.34 H new ATOM 0 HG2 LYS A 72 -11.524 15.830 -18.479 1.00 13.21 H new ATOM 0 HG3 LYS A 72 -10.541 15.904 -19.928 1.00 13.21 H new ATOM 0 HD2 LYS A 72 -12.601 15.424 -20.892 1.00 21.22 H new ATOM 0 HD3 LYS A 72 -12.007 13.792 -20.660 1.00 21.22 H new ATOM 0 HE2 LYS A 72 -14.140 13.622 -19.707 1.00 74.53 H new ATOM 0 HE3 LYS A 72 -13.175 13.978 -18.288 1.00 74.53 H new ATOM 0 HZ1 LYS A 72 -15.129 15.382 -18.394 1.00 65.43 H new ATOM 0 HZ2 LYS A 72 -13.725 16.326 -18.537 1.00 65.43 H new ATOM 0 HZ3 LYS A 72 -14.660 15.981 -19.912 1.00 65.43 H new ATOM 1108 N LYS A 73 -9.059 16.472 -17.376 1.00 54.43 N ATOM 1109 CA LYS A 73 -8.922 17.877 -17.029 1.00 14.10 C ATOM 1110 C LYS A 73 -7.440 18.259 -17.040 1.00 65.14 C ATOM 1111 O LYS A 73 -7.014 19.081 -17.849 1.00 73.42 O ATOM 1112 CB LYS A 73 -9.624 18.172 -15.703 1.00 44.31 C ATOM 1113 CG LYS A 73 -11.117 18.436 -15.918 1.00 44.45 C ATOM 1114 CD LYS A 73 -11.690 19.293 -14.789 1.00 21.13 C ATOM 1115 CE LYS A 73 -13.204 19.102 -14.670 1.00 32.30 C ATOM 1116 NZ LYS A 73 -13.546 17.662 -14.676 1.00 11.51 N1+ ATOM 0 H LYS A 73 -9.542 15.905 -16.679 1.00 54.43 H new ATOM 0 HA LYS A 73 -9.418 18.503 -17.771 1.00 14.10 H new ATOM 0 HB2 LYS A 73 -9.494 17.329 -15.024 1.00 44.31 H new ATOM 0 HB3 LYS A 73 -9.163 19.038 -15.228 1.00 44.31 H new ATOM 0 HG2 LYS A 73 -11.267 18.939 -16.873 1.00 44.45 H new ATOM 0 HG3 LYS A 73 -11.654 17.489 -15.969 1.00 44.45 H new ATOM 0 HD2 LYS A 73 -11.211 19.027 -13.847 1.00 21.13 H new ATOM 0 HD3 LYS A 73 -11.466 20.343 -14.975 1.00 21.13 H new ATOM 0 HE2 LYS A 73 -13.564 19.564 -13.750 1.00 32.30 H new ATOM 0 HE3 LYS A 73 -13.706 19.605 -15.497 1.00 32.30 H new ATOM 0 HZ1 LYS A 73 -14.428 17.512 -14.146 1.00 11.51 H new ATOM 0 HZ2 LYS A 73 -13.673 17.339 -15.657 1.00 11.51 H new ATOM 0 HZ3 LYS A 73 -12.778 17.121 -14.230 1.00 11.51 H new ATOM 1129 N TYR A 74 -6.698 17.643 -16.132 1.00 0.35 N ATOM 1130 CA TYR A 74 -5.273 17.909 -16.026 1.00 13.35 C ATOM 1131 C TYR A 74 -4.624 17.978 -17.410 1.00 21.32 C ATOM 1132 O TYR A 74 -3.711 18.770 -17.632 1.00 50.24 O ATOM 1133 CB TYR A 74 -4.680 16.728 -15.256 1.00 41.13 C ATOM 1134 CG TYR A 74 -3.314 17.015 -14.630 1.00 75.44 C ATOM 1135 CD1 TYR A 74 -2.241 17.337 -15.436 1.00 25.24 C ATOM 1136 CD2 TYR A 74 -3.155 16.951 -13.261 1.00 53.12 C ATOM 1137 CE1 TYR A 74 -0.955 17.608 -14.848 1.00 2.04 C ATOM 1138 CE2 TYR A 74 -1.869 17.222 -12.673 1.00 44.42 C ATOM 1139 CZ TYR A 74 -0.832 17.537 -13.495 1.00 54.11 C ATOM 1140 OH TYR A 74 0.382 17.793 -12.939 1.00 35.30 O ATOM 0 H TYR A 74 -7.056 16.961 -15.463 1.00 0.35 H new ATOM 0 HA TYR A 74 -5.096 18.863 -15.529 1.00 13.35 H new ATOM 0 HB2 TYR A 74 -5.375 16.436 -14.469 1.00 41.13 H new ATOM 0 HB3 TYR A 74 -4.587 15.877 -15.931 1.00 41.13 H new ATOM 0 HD1 TYR A 74 -2.366 17.386 -16.508 1.00 25.24 H new ATOM 0 HD2 TYR A 74 -3.995 16.698 -12.631 1.00 53.12 H new ATOM 0 HE1 TYR A 74 -0.107 17.862 -15.467 1.00 2.04 H new ATOM 0 HE2 TYR A 74 -1.731 17.176 -11.603 1.00 44.42 H new ATOM 0 HH TYR A 74 0.320 17.706 -11.965 1.00 35.30 H new ATOM 1150 N ILE A 75 -5.121 17.136 -18.304 1.00 53.34 N ATOM 1151 CA ILE A 75 -4.601 17.092 -19.661 1.00 45.04 C ATOM 1152 C ILE A 75 -5.768 17.113 -20.650 1.00 31.42 C ATOM 1153 O ILE A 75 -6.249 16.062 -21.071 1.00 1.32 O ATOM 1154 CB ILE A 75 -3.668 15.893 -19.836 1.00 12.32 C ATOM 1155 CG1 ILE A 75 -2.725 15.752 -18.641 1.00 74.51 C ATOM 1156 CG2 ILE A 75 -2.905 15.982 -21.160 1.00 35.11 C ATOM 1157 CD1 ILE A 75 -1.649 14.698 -18.911 1.00 44.21 C ATOM 0 H ILE A 75 -5.878 16.479 -18.116 1.00 53.34 H new ATOM 0 HA ILE A 75 -3.993 17.973 -19.866 1.00 45.04 H new ATOM 0 HB ILE A 75 -4.277 14.990 -19.874 1.00 12.32 H new ATOM 0 HG12 ILE A 75 -2.254 16.712 -18.430 1.00 74.51 H new ATOM 0 HG13 ILE A 75 -3.295 15.475 -17.754 1.00 74.51 H new ATOM 0 HG21 ILE A 75 -2.248 15.118 -21.260 1.00 35.11 H new ATOM 0 HG22 ILE A 75 -3.614 15.997 -21.988 1.00 35.11 H new ATOM 0 HG23 ILE A 75 -2.309 16.894 -21.176 1.00 35.11 H new ATOM 0 HD11 ILE A 75 -0.992 14.618 -18.045 1.00 44.21 H new ATOM 0 HD12 ILE A 75 -2.123 13.734 -19.097 1.00 44.21 H new ATOM 0 HD13 ILE A 75 -1.065 14.990 -19.784 1.00 44.21 H new ATOM 1169 N PRO A 76 -6.201 18.354 -21.002 1.00 61.33 N ATOM 1170 CA PRO A 76 -7.302 18.526 -21.935 1.00 71.30 C ATOM 1171 C PRO A 76 -6.855 18.237 -23.369 1.00 33.42 C ATOM 1172 O PRO A 76 -6.137 19.033 -23.971 1.00 1.33 O ATOM 1173 CB PRO A 76 -7.766 19.960 -21.734 1.00 24.03 C ATOM 1174 CG PRO A 76 -6.619 20.676 -21.039 1.00 10.34 C ATOM 1175 CD PRO A 76 -5.656 19.620 -20.523 1.00 71.25 C ATOM 0 HA PRO A 76 -8.120 17.828 -21.756 1.00 71.30 H new ATOM 0 HB2 PRO A 76 -8.000 20.432 -22.688 1.00 24.03 H new ATOM 0 HB3 PRO A 76 -8.672 19.996 -21.130 1.00 24.03 H new ATOM 0 HG2 PRO A 76 -6.113 21.348 -21.732 1.00 10.34 H new ATOM 0 HG3 PRO A 76 -6.992 21.287 -20.217 1.00 10.34 H new ATOM 0 HD2 PRO A 76 -4.647 19.785 -20.902 1.00 71.25 H new ATOM 0 HD3 PRO A 76 -5.595 19.638 -19.435 1.00 71.25 H new ATOM 1183 N GLY A 77 -7.301 17.096 -23.875 1.00 72.13 N ATOM 1184 CA GLY A 77 -6.956 16.693 -25.227 1.00 33.14 C ATOM 1185 C GLY A 77 -6.336 15.293 -25.240 1.00 34.12 C ATOM 1186 O GLY A 77 -5.996 14.771 -26.301 1.00 30.24 O ATOM 0 H GLY A 77 -7.898 16.439 -23.373 1.00 72.13 H new ATOM 0 HA2 GLY A 77 -7.848 16.705 -25.853 1.00 33.14 H new ATOM 0 HA3 GLY A 77 -6.255 17.409 -25.656 1.00 33.14 H new ATOM 1190 N THR A 78 -6.208 14.726 -24.050 1.00 72.54 N ATOM 1191 CA THR A 78 -5.635 13.398 -23.912 1.00 22.21 C ATOM 1192 C THR A 78 -6.607 12.341 -24.440 1.00 2.52 C ATOM 1193 O THR A 78 -7.822 12.488 -24.308 1.00 4.33 O ATOM 1194 CB THR A 78 -5.257 13.197 -22.443 1.00 14.31 C ATOM 1195 OG1 THR A 78 -4.622 11.921 -22.420 1.00 2.22 O ATOM 1196 CG2 THR A 78 -6.481 13.020 -21.542 1.00 64.23 C ATOM 0 H THR A 78 -6.491 15.162 -23.172 1.00 72.54 H new ATOM 0 HA THR A 78 -4.731 13.292 -24.512 1.00 22.21 H new ATOM 0 HB THR A 78 -4.673 14.051 -22.098 1.00 14.31 H new ATOM 0 HG1 THR A 78 -4.486 11.640 -21.491 1.00 2.22 H new ATOM 0 HG21 THR A 78 -6.157 12.881 -20.511 1.00 64.23 H new ATOM 0 HG22 THR A 78 -7.112 13.906 -21.608 1.00 64.23 H new ATOM 0 HG23 THR A 78 -7.047 12.146 -21.865 1.00 64.23 H new ATOM 1204 N LYS A 79 -6.037 11.298 -25.025 1.00 44.33 N ATOM 1205 CA LYS A 79 -6.837 10.216 -25.573 1.00 42.52 C ATOM 1206 C LYS A 79 -6.981 9.112 -24.523 1.00 41.14 C ATOM 1207 O LYS A 79 -7.827 8.229 -24.659 1.00 0.42 O ATOM 1208 CB LYS A 79 -6.247 9.732 -26.899 1.00 10.55 C ATOM 1209 CG LYS A 79 -4.923 8.998 -26.674 1.00 62.22 C ATOM 1210 CD LYS A 79 -4.154 8.840 -27.987 1.00 44.22 C ATOM 1211 CE LYS A 79 -3.218 10.027 -28.223 1.00 74.45 C ATOM 1212 NZ LYS A 79 -3.914 11.092 -28.979 1.00 73.00 N1+ ATOM 0 H LYS A 79 -5.030 11.179 -25.132 1.00 44.33 H new ATOM 0 HA LYS A 79 -7.842 10.566 -25.808 1.00 42.52 H new ATOM 0 HB2 LYS A 79 -6.955 9.069 -27.396 1.00 10.55 H new ATOM 0 HB3 LYS A 79 -6.088 10.582 -27.562 1.00 10.55 H new ATOM 0 HG2 LYS A 79 -4.315 9.549 -25.956 1.00 62.22 H new ATOM 0 HG3 LYS A 79 -5.116 8.016 -26.241 1.00 62.22 H new ATOM 0 HD2 LYS A 79 -3.576 7.916 -27.965 1.00 44.22 H new ATOM 0 HD3 LYS A 79 -4.857 8.757 -28.816 1.00 44.22 H new ATOM 0 HE2 LYS A 79 -2.870 10.419 -27.267 1.00 74.45 H new ATOM 0 HE3 LYS A 79 -2.336 9.699 -28.773 1.00 74.45 H new ATOM 0 HZ1 LYS A 79 -3.249 11.537 -29.643 1.00 73.00 H new ATOM 0 HZ2 LYS A 79 -4.708 10.679 -29.509 1.00 73.00 H new ATOM 0 HZ3 LYS A 79 -4.274 11.809 -28.317 1.00 73.00 H new ATOM 1225 N MET A 80 -6.143 9.198 -23.502 1.00 72.20 N ATOM 1226 CA MET A 80 -6.167 8.218 -22.429 1.00 50.41 C ATOM 1227 C MET A 80 -7.575 8.073 -21.849 1.00 72.11 C ATOM 1228 O MET A 80 -8.034 8.933 -21.100 1.00 14.12 O ATOM 1229 CB MET A 80 -5.200 8.647 -21.323 1.00 3.55 C ATOM 1230 CG MET A 80 -5.238 7.664 -20.151 1.00 30.15 C ATOM 1231 SD MET A 80 -3.831 7.932 -19.085 1.00 1.13 S ATOM 1232 CE MET A 80 -4.606 7.722 -17.491 1.00 62.42 C ATOM 0 H MET A 80 -5.442 9.931 -23.394 1.00 72.20 H new ATOM 0 HA MET A 80 -5.862 7.254 -22.837 1.00 50.41 H new ATOM 0 HB2 MET A 80 -4.187 8.704 -21.722 1.00 3.55 H new ATOM 0 HB3 MET A 80 -5.461 9.646 -20.973 1.00 3.55 H new ATOM 0 HG2 MET A 80 -6.162 7.793 -19.587 1.00 30.15 H new ATOM 0 HG3 MET A 80 -5.232 6.640 -20.524 1.00 30.15 H new ATOM 0 HE1 MET A 80 -3.927 8.062 -16.709 1.00 62.42 H new ATOM 0 HE2 MET A 80 -5.525 8.307 -17.453 1.00 62.42 H new ATOM 0 HE3 MET A 80 -4.839 6.669 -17.336 1.00 62.42 H new ATOM 1242 N ILE A 81 -8.223 6.978 -22.220 1.00 13.21 N ATOM 1243 CA ILE A 81 -9.570 6.708 -21.746 1.00 23.44 C ATOM 1244 C ILE A 81 -9.500 5.839 -20.489 1.00 45.24 C ATOM 1245 O ILE A 81 -9.796 4.647 -20.538 1.00 72.32 O ATOM 1246 CB ILE A 81 -10.421 6.105 -22.865 1.00 15.12 C ATOM 1247 CG1 ILE A 81 -10.445 7.020 -24.090 1.00 34.32 C ATOM 1248 CG2 ILE A 81 -11.830 5.777 -22.367 1.00 72.31 C ATOM 1249 CD1 ILE A 81 -10.532 8.490 -23.675 1.00 54.13 C ATOM 0 H ILE A 81 -7.840 6.267 -22.843 1.00 13.21 H new ATOM 0 HA ILE A 81 -10.068 7.636 -21.464 1.00 23.44 H new ATOM 0 HB ILE A 81 -9.962 5.166 -23.174 1.00 15.12 H new ATOM 0 HG12 ILE A 81 -9.547 6.859 -24.686 1.00 34.32 H new ATOM 0 HG13 ILE A 81 -11.296 6.766 -24.722 1.00 34.32 H new ATOM 0 HG21 ILE A 81 -12.414 5.350 -23.182 1.00 72.31 H new ATOM 0 HG22 ILE A 81 -11.769 5.059 -21.549 1.00 72.31 H new ATOM 0 HG23 ILE A 81 -12.313 6.688 -22.014 1.00 72.31 H new ATOM 0 HD11 ILE A 81 -10.547 9.119 -24.565 1.00 54.13 H new ATOM 0 HD12 ILE A 81 -11.444 8.652 -23.100 1.00 54.13 H new ATOM 0 HD13 ILE A 81 -9.667 8.747 -23.064 1.00 54.13 H new ATOM 1261 N PHE A 82 -9.106 6.470 -19.392 1.00 75.01 N ATOM 1262 CA PHE A 82 -8.993 5.769 -18.125 1.00 45.32 C ATOM 1263 C PHE A 82 -10.178 6.091 -17.212 1.00 15.33 C ATOM 1264 O PHE A 82 -10.449 7.258 -16.929 1.00 42.22 O ATOM 1265 CB PHE A 82 -7.704 6.255 -17.459 1.00 14.43 C ATOM 1266 CG PHE A 82 -7.279 5.423 -16.247 1.00 45.43 C ATOM 1267 CD1 PHE A 82 -7.233 4.067 -16.335 1.00 11.34 C ATOM 1268 CD2 PHE A 82 -6.946 6.040 -15.081 1.00 71.04 C ATOM 1269 CE1 PHE A 82 -6.839 3.295 -15.211 1.00 13.13 C ATOM 1270 CE2 PHE A 82 -6.551 5.268 -13.956 1.00 71.25 C ATOM 1271 CZ PHE A 82 -6.506 3.911 -14.045 1.00 22.42 C ATOM 0 H PHE A 82 -8.861 7.459 -19.355 1.00 75.01 H new ATOM 0 HA PHE A 82 -8.983 4.692 -18.295 1.00 45.32 H new ATOM 0 HB2 PHE A 82 -6.900 6.243 -18.195 1.00 14.43 H new ATOM 0 HB3 PHE A 82 -7.836 7.291 -17.147 1.00 14.43 H new ATOM 0 HD1 PHE A 82 -7.496 3.577 -17.261 1.00 11.34 H new ATOM 0 HD2 PHE A 82 -6.982 7.117 -15.011 1.00 71.04 H new ATOM 0 HE1 PHE A 82 -6.804 2.218 -15.282 1.00 13.13 H new ATOM 0 HE2 PHE A 82 -6.287 5.758 -13.031 1.00 71.25 H new ATOM 0 HZ PHE A 82 -6.206 3.323 -13.190 1.00 22.42 H new ATOM 1281 N VAL A 83 -10.853 5.037 -16.778 1.00 43.41 N ATOM 1282 CA VAL A 83 -12.003 5.194 -15.903 1.00 44.03 C ATOM 1283 C VAL A 83 -11.615 6.069 -14.709 1.00 4.21 C ATOM 1284 O VAL A 83 -12.477 6.668 -14.069 1.00 54.11 O ATOM 1285 CB VAL A 83 -12.537 3.821 -15.491 1.00 25.21 C ATOM 1286 CG1 VAL A 83 -13.894 3.947 -14.795 1.00 45.31 C ATOM 1287 CG2 VAL A 83 -12.624 2.882 -16.696 1.00 35.41 C ATOM 0 H VAL A 83 -10.626 4.071 -17.016 1.00 43.41 H new ATOM 0 HA VAL A 83 -12.815 5.700 -16.425 1.00 44.03 H new ATOM 0 HB VAL A 83 -11.834 3.388 -14.779 1.00 25.21 H new ATOM 0 HG11 VAL A 83 -14.251 2.957 -14.512 1.00 45.31 H new ATOM 0 HG12 VAL A 83 -13.789 4.563 -13.902 1.00 45.31 H new ATOM 0 HG13 VAL A 83 -14.610 4.411 -15.474 1.00 45.31 H new ATOM 0 HG21 VAL A 83 -13.006 1.913 -16.375 1.00 35.41 H new ATOM 0 HG22 VAL A 83 -13.295 3.308 -17.442 1.00 35.41 H new ATOM 0 HG23 VAL A 83 -11.632 2.755 -17.131 1.00 35.41 H new ATOM 1297 N GLY A 84 -10.317 6.113 -14.447 1.00 4.04 N ATOM 1298 CA GLY A 84 -9.804 6.904 -13.340 1.00 52.24 C ATOM 1299 C GLY A 84 -9.896 6.129 -12.024 1.00 70.24 C ATOM 1300 O GLY A 84 -10.539 5.082 -11.959 1.00 15.11 O ATOM 0 H GLY A 84 -9.605 5.614 -14.981 1.00 4.04 H new ATOM 0 HA2 GLY A 84 -8.767 7.177 -13.534 1.00 52.24 H new ATOM 0 HA3 GLY A 84 -10.369 7.833 -13.260 1.00 52.24 H new ATOM 1304 N ILE A 85 -9.244 6.673 -11.008 1.00 33.41 N ATOM 1305 CA ILE A 85 -9.244 6.048 -9.696 1.00 44.34 C ATOM 1306 C ILE A 85 -9.828 7.020 -8.671 1.00 34.42 C ATOM 1307 O ILE A 85 -9.475 8.198 -8.655 1.00 13.31 O ATOM 1308 CB ILE A 85 -7.841 5.549 -9.341 1.00 61.04 C ATOM 1309 CG1 ILE A 85 -7.379 4.468 -10.320 1.00 21.04 C ATOM 1310 CG2 ILE A 85 -7.782 5.070 -7.889 1.00 53.31 C ATOM 1311 CD1 ILE A 85 -5.852 4.389 -10.368 1.00 62.43 C ATOM 0 H ILE A 85 -8.711 7.541 -11.066 1.00 33.41 H new ATOM 0 HA ILE A 85 -9.882 5.164 -9.696 1.00 44.34 H new ATOM 0 HB ILE A 85 -7.147 6.385 -9.434 1.00 61.04 H new ATOM 0 HG12 ILE A 85 -7.788 3.503 -10.021 1.00 21.04 H new ATOM 0 HG13 ILE A 85 -7.767 4.684 -11.315 1.00 21.04 H new ATOM 0 HG21 ILE A 85 -6.775 4.721 -7.662 1.00 53.31 H new ATOM 0 HG22 ILE A 85 -8.039 5.894 -7.223 1.00 53.31 H new ATOM 0 HG23 ILE A 85 -8.490 4.254 -7.746 1.00 53.31 H new ATOM 0 HD11 ILE A 85 -5.550 3.613 -11.071 1.00 62.43 H new ATOM 0 HD12 ILE A 85 -5.448 5.349 -10.691 1.00 62.43 H new ATOM 0 HD13 ILE A 85 -5.469 4.149 -9.376 1.00 62.43 H new ATOM 1323 N LYS A 86 -10.715 6.492 -7.839 1.00 65.04 N ATOM 1324 CA LYS A 86 -11.352 7.300 -6.813 1.00 4.54 C ATOM 1325 C LYS A 86 -10.600 7.125 -5.493 1.00 23.40 C ATOM 1326 O LYS A 86 -10.230 8.107 -4.850 1.00 42.24 O ATOM 1327 CB LYS A 86 -12.843 6.968 -6.720 1.00 51.42 C ATOM 1328 CG LYS A 86 -13.576 7.369 -8.001 1.00 2.32 C ATOM 1329 CD LYS A 86 -13.543 6.237 -9.029 1.00 43.02 C ATOM 1330 CE LYS A 86 -14.687 5.248 -8.791 1.00 63.30 C ATOM 1331 NZ LYS A 86 -15.060 4.573 -10.055 1.00 13.13 N1+ ATOM 0 H LYS A 86 -11.007 5.515 -7.855 1.00 65.04 H new ATOM 0 HA LYS A 86 -11.299 8.357 -7.073 1.00 4.54 H new ATOM 0 HB2 LYS A 86 -12.971 5.900 -6.543 1.00 51.42 H new ATOM 0 HB3 LYS A 86 -13.282 7.487 -5.868 1.00 51.42 H new ATOM 0 HG2 LYS A 86 -14.610 7.623 -7.768 1.00 2.32 H new ATOM 0 HG3 LYS A 86 -13.115 8.262 -8.423 1.00 2.32 H new ATOM 0 HD2 LYS A 86 -13.619 6.651 -10.034 1.00 43.02 H new ATOM 0 HD3 LYS A 86 -12.588 5.715 -8.970 1.00 43.02 H new ATOM 0 HE2 LYS A 86 -14.387 4.506 -8.051 1.00 63.30 H new ATOM 0 HE3 LYS A 86 -15.551 5.773 -8.384 1.00 63.30 H new ATOM 0 HZ1 LYS A 86 -15.837 3.906 -9.876 1.00 13.13 H new ATOM 0 HZ2 LYS A 86 -15.367 5.283 -10.750 1.00 13.13 H new ATOM 0 HZ3 LYS A 86 -14.238 4.056 -10.428 1.00 13.13 H new ATOM 1344 N LYS A 87 -10.395 5.868 -5.127 1.00 14.22 N ATOM 1345 CA LYS A 87 -9.693 5.553 -3.894 1.00 74.32 C ATOM 1346 C LYS A 87 -8.255 6.067 -3.985 1.00 52.11 C ATOM 1347 O LYS A 87 -7.669 6.093 -5.067 1.00 61.33 O ATOM 1348 CB LYS A 87 -9.793 4.057 -3.589 1.00 24.34 C ATOM 1349 CG LYS A 87 -11.249 3.637 -3.374 1.00 3.32 C ATOM 1350 CD LYS A 87 -11.455 2.166 -3.742 1.00 34.24 C ATOM 1351 CE LYS A 87 -12.792 1.650 -3.209 1.00 64.11 C ATOM 1352 NZ LYS A 87 -12.880 1.852 -1.745 1.00 73.24 N1+ ATOM 0 H LYS A 87 -10.703 5.056 -5.662 1.00 14.22 H new ATOM 0 HA LYS A 87 -10.160 6.060 -3.049 1.00 74.32 H new ATOM 0 HB2 LYS A 87 -9.364 3.485 -4.412 1.00 24.34 H new ATOM 0 HB3 LYS A 87 -9.208 3.824 -2.699 1.00 24.34 H new ATOM 0 HG2 LYS A 87 -11.528 3.798 -2.333 1.00 3.32 H new ATOM 0 HG3 LYS A 87 -11.905 4.262 -3.980 1.00 3.32 H new ATOM 0 HD2 LYS A 87 -11.422 2.050 -4.825 1.00 34.24 H new ATOM 0 HD3 LYS A 87 -10.641 1.568 -3.333 1.00 34.24 H new ATOM 0 HE2 LYS A 87 -13.612 2.170 -3.704 1.00 64.11 H new ATOM 0 HE3 LYS A 87 -12.899 0.591 -3.443 1.00 64.11 H new ATOM 0 HZ1 LYS A 87 -13.542 1.160 -1.338 1.00 73.24 H new ATOM 0 HZ2 LYS A 87 -11.940 1.723 -1.320 1.00 73.24 H new ATOM 0 HZ3 LYS A 87 -13.220 2.815 -1.547 1.00 73.24 H new ATOM 1365 N LYS A 88 -7.728 6.463 -2.836 1.00 3.10 N ATOM 1366 CA LYS A 88 -6.369 6.974 -2.773 1.00 50.44 C ATOM 1367 C LYS A 88 -5.387 5.802 -2.750 1.00 62.35 C ATOM 1368 O LYS A 88 -4.434 5.770 -3.528 1.00 5.43 O ATOM 1369 CB LYS A 88 -6.212 7.931 -1.589 1.00 32.15 C ATOM 1370 CG LYS A 88 -4.910 8.728 -1.698 1.00 53.14 C ATOM 1371 CD LYS A 88 -4.798 9.751 -0.565 1.00 21.14 C ATOM 1372 CE LYS A 88 -5.432 11.085 -0.965 1.00 11.43 C ATOM 1373 NZ LYS A 88 -5.015 12.157 -0.035 1.00 32.04 N1+ ATOM 0 H LYS A 88 -8.217 6.440 -1.941 1.00 3.10 H new ATOM 0 HA LYS A 88 -6.142 7.562 -3.662 1.00 50.44 H new ATOM 0 HB2 LYS A 88 -7.060 8.615 -1.555 1.00 32.15 H new ATOM 0 HB3 LYS A 88 -6.220 7.366 -0.657 1.00 32.15 H new ATOM 0 HG2 LYS A 88 -4.059 8.048 -1.664 1.00 53.14 H new ATOM 0 HG3 LYS A 88 -4.872 9.239 -2.660 1.00 53.14 H new ATOM 0 HD2 LYS A 88 -5.289 9.365 0.328 1.00 21.14 H new ATOM 0 HD3 LYS A 88 -3.749 9.904 -0.311 1.00 21.14 H new ATOM 0 HE2 LYS A 88 -5.138 11.343 -1.982 1.00 11.43 H new ATOM 0 HE3 LYS A 88 -6.518 10.994 -0.961 1.00 11.43 H new ATOM 0 HZ1 LYS A 88 -5.454 13.055 -0.321 1.00 32.04 H new ATOM 0 HZ2 LYS A 88 -5.317 11.916 0.931 1.00 32.04 H new ATOM 0 HZ3 LYS A 88 -3.980 12.255 -0.060 1.00 32.04 H new ATOM 1386 N GLU A 89 -5.654 4.865 -1.852 1.00 24.00 N ATOM 1387 CA GLU A 89 -4.805 3.693 -1.719 1.00 53.30 C ATOM 1388 C GLU A 89 -4.589 3.037 -3.084 1.00 33.12 C ATOM 1389 O GLU A 89 -3.484 2.595 -3.395 1.00 21.33 O ATOM 1390 CB GLU A 89 -5.399 2.698 -0.719 1.00 23.22 C ATOM 1391 CG GLU A 89 -6.728 2.135 -1.229 1.00 22.23 C ATOM 1392 CD GLU A 89 -7.413 1.288 -0.156 1.00 40.42 C ATOM 1393 OE1 GLU A 89 -7.388 0.051 -0.233 1.00 70.43 O ATOM 1394 OE2 GLU A 89 -7.986 1.960 0.786 1.00 40.44 O1- ATOM 0 H GLU A 89 -6.446 4.893 -1.210 1.00 24.00 H new ATOM 0 HA GLU A 89 -3.836 4.011 -1.334 1.00 53.30 H new ATOM 0 HB2 GLU A 89 -4.695 1.883 -0.550 1.00 23.22 H new ATOM 0 HB3 GLU A 89 -5.553 3.190 0.241 1.00 23.22 H new ATOM 0 HG2 GLU A 89 -7.384 2.954 -1.525 1.00 22.23 H new ATOM 0 HG3 GLU A 89 -6.553 1.530 -2.118 1.00 22.23 H new ATOM 1402 N GLU A 90 -5.661 2.992 -3.860 1.00 72.24 N ATOM 1403 CA GLU A 90 -5.602 2.398 -5.185 1.00 0.45 C ATOM 1404 C GLU A 90 -4.436 2.987 -5.980 1.00 42.01 C ATOM 1405 O GLU A 90 -3.540 2.260 -6.407 1.00 73.10 O ATOM 1406 CB GLU A 90 -6.924 2.585 -5.930 1.00 22.42 C ATOM 1407 CG GLU A 90 -7.875 1.417 -5.663 1.00 43.23 C ATOM 1408 CD GLU A 90 -7.858 1.023 -4.184 1.00 20.55 C ATOM 1409 OE1 GLU A 90 -8.446 1.726 -3.349 1.00 5.43 O ATOM 1410 OE2 GLU A 90 -7.205 -0.057 -3.916 1.00 12.21 O1- ATOM 0 H GLU A 90 -6.576 3.357 -3.597 1.00 72.24 H new ATOM 0 HA GLU A 90 -5.435 1.327 -5.073 1.00 0.45 H new ATOM 0 HB2 GLU A 90 -7.392 3.518 -5.618 1.00 22.42 H new ATOM 0 HB3 GLU A 90 -6.734 2.666 -7.000 1.00 22.42 H new ATOM 0 HG2 GLU A 90 -8.887 1.693 -5.958 1.00 43.23 H new ATOM 0 HG3 GLU A 90 -7.587 0.562 -6.274 1.00 43.23 H new ATOM 1418 N ARG A 91 -4.484 4.299 -6.156 1.00 31.04 N ATOM 1419 CA ARG A 91 -3.443 4.995 -6.891 1.00 55.13 C ATOM 1420 C ARG A 91 -2.104 4.872 -6.162 1.00 34.33 C ATOM 1421 O ARG A 91 -1.053 4.783 -6.796 1.00 24.42 O ATOM 1422 CB ARG A 91 -3.786 6.476 -7.066 1.00 21.11 C ATOM 1423 CG ARG A 91 -5.175 6.648 -7.683 1.00 71.31 C ATOM 1424 CD ARG A 91 -5.382 8.080 -8.181 1.00 2.23 C ATOM 1425 NE ARG A 91 -5.323 9.024 -7.043 1.00 24.12 N ATOM 1426 CZ ARG A 91 -6.312 9.182 -6.139 1.00 72.21 C ATOM 1427 NH1 ARG A 91 -7.448 8.459 -6.232 1.00 52.41 N ATOM 1428 NH2 ARG A 91 -6.152 10.056 -5.162 1.00 72.51 N1+ ATOM 0 H ARG A 91 -5.229 4.899 -5.801 1.00 31.04 H new ATOM 0 HA ARG A 91 -3.369 4.533 -7.875 1.00 55.13 H new ATOM 0 HB2 ARG A 91 -3.749 6.978 -6.099 1.00 21.11 H new ATOM 0 HB3 ARG A 91 -3.040 6.953 -7.702 1.00 21.11 H new ATOM 0 HG2 ARG A 91 -5.298 5.950 -8.511 1.00 71.31 H new ATOM 0 HG3 ARG A 91 -5.938 6.403 -6.944 1.00 71.31 H new ATOM 0 HD2 ARG A 91 -4.616 8.333 -8.914 1.00 2.23 H new ATOM 0 HD3 ARG A 91 -6.345 8.163 -8.684 1.00 2.23 H new ATOM 0 HE ARG A 91 -4.482 9.591 -6.935 1.00 24.12 H new ATOM 0 HH11 ARG A 91 -7.564 7.787 -6.990 1.00 52.41 H new ATOM 0 HH12 ARG A 91 -8.190 8.585 -5.544 1.00 52.41 H new ATOM 0 HH21 ARG A 91 -5.291 10.599 -5.099 1.00 72.51 H new ATOM 0 HH22 ARG A 91 -6.890 10.188 -4.470 1.00 72.51 H new ATOM 1441 N ALA A 92 -2.184 4.870 -4.839 1.00 44.03 N ATOM 1442 CA ALA A 92 -0.992 4.760 -4.017 1.00 4.24 C ATOM 1443 C ALA A 92 -0.424 3.344 -4.137 1.00 44.10 C ATOM 1444 O ALA A 92 0.723 3.097 -3.768 1.00 25.42 O ATOM 1445 CB ALA A 92 -1.331 5.131 -2.572 1.00 24.15 C ATOM 0 H ALA A 92 -3.057 4.943 -4.316 1.00 44.03 H new ATOM 0 HA ALA A 92 -0.225 5.454 -4.360 1.00 4.24 H new ATOM 0 HB1 ALA A 92 -0.436 5.048 -1.956 1.00 24.15 H new ATOM 0 HB2 ALA A 92 -1.702 6.155 -2.537 1.00 24.15 H new ATOM 0 HB3 ALA A 92 -2.097 4.454 -2.193 1.00 24.15 H new ATOM 1451 N ASP A 93 -1.254 2.450 -4.655 1.00 13.32 N ATOM 1452 CA ASP A 93 -0.850 1.065 -4.828 1.00 41.32 C ATOM 1453 C ASP A 93 -0.277 0.878 -6.235 1.00 30.23 C ATOM 1454 O ASP A 93 0.883 0.500 -6.391 1.00 20.11 O ATOM 1455 CB ASP A 93 -2.043 0.120 -4.674 1.00 51.12 C ATOM 1456 CG ASP A 93 -2.575 -0.023 -3.247 1.00 14.42 C ATOM 1457 OD1 ASP A 93 -3.370 -0.926 -2.949 1.00 11.21 O ATOM 1458 OD2 ASP A 93 -2.134 0.856 -2.411 1.00 61.21 O1- ATOM 0 H ASP A 93 -2.205 2.658 -4.961 1.00 13.32 H new ATOM 0 HA ASP A 93 -0.106 0.833 -4.066 1.00 41.32 H new ATOM 0 HB2 ASP A 93 -2.852 0.473 -5.313 1.00 51.12 H new ATOM 0 HB3 ASP A 93 -1.756 -0.866 -5.039 1.00 51.12 H new ATOM 1464 N LEU A 94 -1.116 1.152 -7.222 1.00 1.20 N ATOM 1465 CA LEU A 94 -0.707 1.019 -8.610 1.00 74.05 C ATOM 1466 C LEU A 94 0.654 1.688 -8.803 1.00 42.32 C ATOM 1467 O LEU A 94 1.547 1.118 -9.426 1.00 60.31 O ATOM 1468 CB LEU A 94 -1.795 1.556 -9.543 1.00 54.11 C ATOM 1469 CG LEU A 94 -1.721 1.090 -10.998 1.00 72.20 C ATOM 1470 CD1 LEU A 94 -1.325 -0.385 -11.082 1.00 35.13 C ATOM 1471 CD2 LEU A 94 -3.034 1.374 -11.732 1.00 30.44 C ATOM 0 H LEU A 94 -2.077 1.466 -7.089 1.00 1.20 H new ATOM 0 HA LEU A 94 -0.585 -0.032 -8.872 1.00 74.05 H new ATOM 0 HB2 LEU A 94 -2.766 1.269 -9.139 1.00 54.11 H new ATOM 0 HB3 LEU A 94 -1.753 2.645 -9.529 1.00 54.11 H new ATOM 0 HG LEU A 94 -0.941 1.662 -11.501 1.00 72.20 H new ATOM 0 HD11 LEU A 94 -1.280 -0.691 -12.127 1.00 35.13 H new ATOM 0 HD12 LEU A 94 -0.348 -0.526 -10.620 1.00 35.13 H new ATOM 0 HD13 LEU A 94 -2.065 -0.991 -10.559 1.00 35.13 H new ATOM 0 HD21 LEU A 94 -2.955 1.033 -12.764 1.00 30.44 H new ATOM 0 HD22 LEU A 94 -3.849 0.846 -11.237 1.00 30.44 H new ATOM 0 HD23 LEU A 94 -3.234 2.445 -11.718 1.00 30.44 H new ATOM 1483 N ILE A 95 0.769 2.890 -8.257 1.00 14.42 N ATOM 1484 CA ILE A 95 2.007 3.645 -8.362 1.00 64.13 C ATOM 1485 C ILE A 95 3.145 2.838 -7.730 1.00 4.02 C ATOM 1486 O ILE A 95 4.287 2.916 -8.178 1.00 25.25 O ATOM 1487 CB ILE A 95 1.836 5.041 -7.761 1.00 34.32 C ATOM 1488 CG1 ILE A 95 0.893 5.893 -8.614 1.00 4.41 C ATOM 1489 CG2 ILE A 95 3.192 5.718 -7.554 1.00 33.12 C ATOM 1490 CD1 ILE A 95 0.588 7.226 -7.928 1.00 42.01 C ATOM 0 H ILE A 95 0.025 3.360 -7.741 1.00 14.42 H new ATOM 0 HA ILE A 95 2.269 3.804 -9.408 1.00 64.13 H new ATOM 0 HB ILE A 95 1.375 4.937 -6.779 1.00 34.32 H new ATOM 0 HG12 ILE A 95 1.344 6.076 -9.589 1.00 4.41 H new ATOM 0 HG13 ILE A 95 -0.035 5.349 -8.790 1.00 4.41 H new ATOM 0 HG21 ILE A 95 3.042 6.709 -7.126 1.00 33.12 H new ATOM 0 HG22 ILE A 95 3.799 5.118 -6.876 1.00 33.12 H new ATOM 0 HG23 ILE A 95 3.703 5.810 -8.513 1.00 33.12 H new ATOM 0 HD11 ILE A 95 -0.084 7.812 -8.555 1.00 42.01 H new ATOM 0 HD12 ILE A 95 0.115 7.039 -6.964 1.00 42.01 H new ATOM 0 HD13 ILE A 95 1.516 7.778 -7.776 1.00 42.01 H new ATOM 1502 N ALA A 96 2.792 2.084 -6.700 1.00 33.14 N ATOM 1503 CA ALA A 96 3.768 1.265 -6.003 1.00 12.15 C ATOM 1504 C ALA A 96 4.441 0.321 -7.001 1.00 53.11 C ATOM 1505 O ALA A 96 5.614 0.494 -7.329 1.00 25.00 O ATOM 1506 CB ALA A 96 3.082 0.513 -4.861 1.00 44.52 C ATOM 0 H ALA A 96 1.843 2.023 -6.331 1.00 33.14 H new ATOM 0 HA ALA A 96 4.546 1.888 -5.562 1.00 12.15 H new ATOM 0 HB1 ALA A 96 3.815 -0.102 -4.338 1.00 44.52 H new ATOM 0 HB2 ALA A 96 2.646 1.229 -4.164 1.00 44.52 H new ATOM 0 HB3 ALA A 96 2.296 -0.125 -5.266 1.00 44.52 H new ATOM 1512 N TYR A 97 3.670 -0.655 -7.455 1.00 1.44 N ATOM 1513 CA TYR A 97 4.177 -1.627 -8.409 1.00 62.31 C ATOM 1514 C TYR A 97 5.102 -0.962 -9.432 1.00 21.40 C ATOM 1515 O TYR A 97 6.108 -1.543 -9.834 1.00 22.13 O ATOM 1516 CB TYR A 97 2.952 -2.184 -9.136 1.00 54.22 C ATOM 1517 CG TYR A 97 3.259 -2.771 -10.515 1.00 33.23 C ATOM 1518 CD1 TYR A 97 4.023 -3.916 -10.624 1.00 70.44 C ATOM 1519 CD2 TYR A 97 2.773 -2.156 -11.651 1.00 73.34 C ATOM 1520 CE1 TYR A 97 4.312 -4.469 -11.921 1.00 61.32 C ATOM 1521 CE2 TYR A 97 3.062 -2.709 -12.949 1.00 72.22 C ATOM 1522 CZ TYR A 97 3.817 -3.837 -13.020 1.00 14.22 C ATOM 1523 OH TYR A 97 4.090 -4.359 -14.246 1.00 3.20 O ATOM 0 H TYR A 97 2.698 -0.794 -7.180 1.00 1.44 H new ATOM 0 HA TYR A 97 4.749 -2.402 -7.898 1.00 62.31 H new ATOM 0 HB2 TYR A 97 2.496 -2.957 -8.517 1.00 54.22 H new ATOM 0 HB3 TYR A 97 2.216 -1.388 -9.247 1.00 54.22 H new ATOM 0 HD1 TYR A 97 4.404 -4.397 -9.735 1.00 70.44 H new ATOM 0 HD2 TYR A 97 2.176 -1.260 -11.567 1.00 73.34 H new ATOM 0 HE1 TYR A 97 4.908 -5.364 -12.020 1.00 61.32 H new ATOM 0 HE2 TYR A 97 2.687 -2.238 -13.846 1.00 72.22 H new ATOM 0 HH TYR A 97 3.491 -3.962 -14.912 1.00 3.20 H new ATOM 1533 N LEU A 98 4.727 0.248 -9.820 1.00 55.30 N ATOM 1534 CA LEU A 98 5.511 0.999 -10.787 1.00 10.43 C ATOM 1535 C LEU A 98 6.849 1.391 -10.158 1.00 50.54 C ATOM 1536 O LEU A 98 7.906 1.152 -10.740 1.00 71.33 O ATOM 1537 CB LEU A 98 4.708 2.188 -11.318 1.00 25.13 C ATOM 1538 CG LEU A 98 3.334 1.862 -11.907 1.00 4.11 C ATOM 1539 CD1 LEU A 98 2.451 3.109 -11.962 1.00 43.25 C ATOM 1540 CD2 LEU A 98 3.470 1.195 -13.278 1.00 11.03 C ATOM 0 H LEU A 98 3.892 0.727 -9.483 1.00 55.30 H new ATOM 0 HA LEU A 98 5.737 0.382 -11.657 1.00 10.43 H new ATOM 0 HB2 LEU A 98 4.572 2.901 -10.505 1.00 25.13 H new ATOM 0 HB3 LEU A 98 5.300 2.687 -12.085 1.00 25.13 H new ATOM 0 HG LEU A 98 2.841 1.147 -11.248 1.00 4.11 H new ATOM 0 HD11 LEU A 98 1.480 2.849 -12.385 1.00 43.25 H new ATOM 0 HD12 LEU A 98 2.315 3.503 -10.955 1.00 43.25 H new ATOM 0 HD13 LEU A 98 2.928 3.865 -12.586 1.00 43.25 H new ATOM 0 HD21 LEU A 98 2.479 0.974 -13.675 1.00 11.03 H new ATOM 0 HD22 LEU A 98 3.992 1.867 -13.959 1.00 11.03 H new ATOM 0 HD23 LEU A 98 4.036 0.269 -13.178 1.00 11.03 H new ATOM 1552 N LYS A 99 6.760 1.988 -8.979 1.00 73.11 N ATOM 1553 CA LYS A 99 7.951 2.416 -8.264 1.00 1.31 C ATOM 1554 C LYS A 99 8.815 1.195 -7.946 1.00 71.25 C ATOM 1555 O LYS A 99 9.986 1.333 -7.592 1.00 53.02 O ATOM 1556 CB LYS A 99 7.570 3.238 -7.032 1.00 31.34 C ATOM 1557 CG LYS A 99 7.543 4.733 -7.357 1.00 15.41 C ATOM 1558 CD LYS A 99 6.139 5.179 -7.770 1.00 1.10 C ATOM 1559 CE LYS A 99 5.918 6.658 -7.448 1.00 13.50 C ATOM 1560 NZ LYS A 99 5.414 6.819 -6.066 1.00 12.44 N1+ ATOM 0 H LYS A 99 5.881 2.186 -8.500 1.00 73.11 H new ATOM 0 HA LYS A 99 8.552 3.079 -8.887 1.00 1.31 H new ATOM 0 HB2 LYS A 99 6.592 2.923 -6.669 1.00 31.34 H new ATOM 0 HB3 LYS A 99 8.283 3.049 -6.230 1.00 31.34 H new ATOM 0 HG2 LYS A 99 7.869 5.304 -6.487 1.00 15.41 H new ATOM 0 HG3 LYS A 99 8.248 4.947 -8.161 1.00 15.41 H new ATOM 0 HD2 LYS A 99 5.999 5.011 -8.838 1.00 1.10 H new ATOM 0 HD3 LYS A 99 5.394 4.575 -7.252 1.00 1.10 H new ATOM 0 HE2 LYS A 99 6.853 7.205 -7.566 1.00 13.50 H new ATOM 0 HE3 LYS A 99 5.206 7.087 -8.153 1.00 13.50 H new ATOM 0 HZ1 LYS A 99 4.660 7.535 -6.053 1.00 12.44 H new ATOM 0 HZ2 LYS A 99 5.036 5.912 -5.726 1.00 12.44 H new ATOM 0 HZ3 LYS A 99 6.192 7.124 -5.446 1.00 12.44 H new ATOM 1573 N LYS A 100 8.206 0.026 -8.083 1.00 63.15 N ATOM 1574 CA LYS A 100 8.906 -1.218 -7.814 1.00 72.41 C ATOM 1575 C LYS A 100 9.237 -1.909 -9.139 1.00 64.54 C ATOM 1576 O LYS A 100 10.060 -2.823 -9.178 1.00 30.00 O ATOM 1577 CB LYS A 100 8.097 -2.091 -6.852 1.00 4.54 C ATOM 1578 CG LYS A 100 8.768 -3.451 -6.648 1.00 42.24 C ATOM 1579 CD LYS A 100 10.184 -3.286 -6.090 1.00 15.32 C ATOM 1580 CE LYS A 100 10.608 -4.523 -5.298 1.00 64.41 C ATOM 1581 NZ LYS A 100 9.803 -4.650 -4.063 1.00 13.11 N1+ ATOM 0 H LYS A 100 7.236 -0.085 -8.377 1.00 63.15 H new ATOM 0 HA LYS A 100 9.853 -1.021 -7.311 1.00 72.41 H new ATOM 0 HB2 LYS A 100 7.996 -1.584 -5.892 1.00 4.54 H new ATOM 0 HB3 LYS A 100 7.090 -2.234 -7.244 1.00 4.54 H new ATOM 0 HG2 LYS A 100 8.172 -4.056 -5.964 1.00 42.24 H new ATOM 0 HG3 LYS A 100 8.807 -3.987 -7.596 1.00 42.24 H new ATOM 0 HD2 LYS A 100 10.884 -3.116 -6.908 1.00 15.32 H new ATOM 0 HD3 LYS A 100 10.225 -2.406 -5.447 1.00 15.32 H new ATOM 0 HE2 LYS A 100 10.485 -5.415 -5.912 1.00 64.41 H new ATOM 0 HE3 LYS A 100 11.666 -4.454 -5.044 1.00 64.41 H new ATOM 0 HZ1 LYS A 100 10.351 -5.162 -3.343 1.00 13.11 H new ATOM 0 HZ2 LYS A 100 9.563 -3.703 -3.706 1.00 13.11 H new ATOM 0 HZ3 LYS A 100 8.929 -5.174 -4.271 1.00 13.11 H new ATOM 1594 N ALA A 101 8.579 -1.447 -10.191 1.00 71.41 N ATOM 1595 CA ALA A 101 8.792 -2.009 -11.514 1.00 62.32 C ATOM 1596 C ALA A 101 9.813 -1.153 -12.268 1.00 15.30 C ATOM 1597 O ALA A 101 10.970 -1.543 -12.413 1.00 73.54 O ATOM 1598 CB ALA A 101 7.454 -2.104 -12.251 1.00 63.13 C ATOM 0 H ALA A 101 7.897 -0.689 -10.155 1.00 71.41 H new ATOM 0 HA ALA A 101 9.196 -3.019 -11.441 1.00 62.32 H new ATOM 0 HB1 ALA A 101 7.614 -2.526 -13.243 1.00 63.13 H new ATOM 0 HB2 ALA A 101 6.774 -2.745 -11.690 1.00 63.13 H new ATOM 0 HB3 ALA A 101 7.019 -1.109 -12.345 1.00 63.13 H new ATOM 1604 N THR A 102 9.346 -0.001 -12.728 1.00 2.02 N ATOM 1605 CA THR A 102 10.204 0.913 -13.463 1.00 71.34 C ATOM 1606 C THR A 102 11.499 1.168 -12.689 1.00 12.43 C ATOM 1607 O THR A 102 12.506 1.567 -13.272 1.00 41.24 O ATOM 1608 CB THR A 102 9.405 2.187 -13.747 1.00 15.35 C ATOM 1609 OG1 THR A 102 10.373 3.098 -14.258 1.00 54.52 O ATOM 1610 CG2 THR A 102 8.900 2.858 -12.468 1.00 62.44 C ATOM 0 H THR A 102 8.386 0.320 -12.606 1.00 2.02 H new ATOM 0 HA THR A 102 10.511 0.485 -14.417 1.00 71.34 H new ATOM 0 HB THR A 102 8.558 1.948 -14.391 1.00 15.35 H new ATOM 0 HG1 THR A 102 9.940 3.951 -14.470 1.00 54.52 H new ATOM 0 HG21 THR A 102 8.340 3.757 -12.726 1.00 62.44 H new ATOM 0 HG22 THR A 102 8.252 2.169 -11.927 1.00 62.44 H new ATOM 0 HG23 THR A 102 9.748 3.127 -11.839 1.00 62.44 H new ATOM 1618 N ASN A 103 11.430 0.927 -11.388 1.00 4.21 N ATOM 1619 CA ASN A 103 12.585 1.127 -10.528 1.00 22.31 C ATOM 1620 C ASN A 103 13.441 -0.141 -10.530 1.00 72.30 C ATOM 1621 O ASN A 103 14.661 -0.071 -10.386 1.00 23.40 O ATOM 1622 CB ASN A 103 12.156 1.405 -9.087 1.00 0.14 C ATOM 1623 CG ASN A 103 13.344 1.870 -8.242 1.00 54.24 C ATOM 1624 OD1 ASN A 103 13.969 1.103 -7.527 1.00 3.22 O ATOM 1625 ND2 ASN A 103 13.619 3.166 -8.361 1.00 60.01 N ATOM 0 H ASN A 103 10.593 0.595 -10.908 1.00 4.21 H new ATOM 0 HA ASN A 103 13.146 1.981 -10.908 1.00 22.31 H new ATOM 0 HB2 ASN A 103 11.377 2.167 -9.076 1.00 0.14 H new ATOM 0 HB3 ASN A 103 11.726 0.503 -8.651 1.00 0.14 H new ATOM 0 HD21 ASN A 103 14.393 3.573 -7.836 1.00 60.01 H new ATOM 0 HD22 ASN A 103 13.056 3.752 -8.977 1.00 60.01 H new ATOM 1632 N GLU A 104 12.769 -1.271 -10.696 1.00 33.11 N ATOM 1633 CA GLU A 104 13.453 -2.553 -10.718 1.00 43.24 C ATOM 1634 C GLU A 104 14.753 -2.446 -11.517 1.00 2.51 C ATOM 1635 O GLU A 104 14.794 -1.793 -12.559 1.00 22.34 O ATOM 1636 CB GLU A 104 12.548 -3.647 -11.288 1.00 32.13 C ATOM 1637 CG GLU A 104 12.582 -3.646 -12.817 1.00 20.34 C ATOM 1638 CD GLU A 104 11.277 -4.198 -13.395 1.00 3.30 C ATOM 1639 OE1 GLU A 104 10.754 -5.205 -12.893 1.00 3.03 O ATOM 1640 OE2 GLU A 104 10.805 -3.542 -14.400 1.00 64.02 O1- ATOM 0 H GLU A 104 11.758 -1.325 -10.817 1.00 33.11 H new ATOM 0 HA GLU A 104 13.700 -2.829 -9.693 1.00 43.24 H new ATOM 0 HB2 GLU A 104 12.868 -4.620 -10.914 1.00 32.13 H new ATOM 0 HB3 GLU A 104 11.525 -3.494 -10.943 1.00 32.13 H new ATOM 0 HG2 GLU A 104 12.744 -2.631 -13.180 1.00 20.34 H new ATOM 0 HG3 GLU A 104 13.422 -4.247 -13.166 1.00 20.34 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 -1.968 6.619 -19.428 1.00 71.04 FE HETATM 1650 CHA HEC A 500 -0.515 9.561 -20.524 1.00 72.53 C HETATM 1651 CHB HEC A 500 -0.314 6.911 -16.440 1.00 20.13 C HETATM 1652 CHC HEC A 500 -3.984 4.200 -18.258 1.00 71.13 C HETATM 1653 CHD HEC A 500 -3.212 6.134 -22.658 1.00 64.24 C HETATM 1654 NA HEC A 500 -0.711 8.024 -18.605 1.00 31.31 N HETATM 1655 C1A HEC A 500 -0.268 9.133 -19.240 1.00 11.23 C HETATM 1656 C2A HEC A 500 0.641 9.810 -18.370 1.00 11.44 C HETATM 1657 C3A HEC A 500 0.732 9.075 -17.211 1.00 60.30 C HETATM 1658 C4A HEC A 500 -0.123 7.921 -17.380 1.00 22.22 C HETATM 1659 CMA HEC A 500 1.522 9.454 -15.984 1.00 33.41 C HETATM 1660 CAA HEC A 500 1.460 11.006 -18.766 1.00 41.22 C HETATM 1661 CBA HEC A 500 2.627 10.676 -19.700 1.00 51.34 C HETATM 1662 CGA HEC A 500 2.297 9.448 -20.533 1.00 30.41 C HETATM 1663 O1A HEC A 500 1.804 9.633 -21.665 1.00 2.34 O HETATM 1664 O2A HEC A 500 2.623 8.339 -20.052 1.00 70.54 O HETATM 1665 NB HEC A 500 -2.061 5.661 -17.699 1.00 12.31 N HETATM 1666 C1B HEC A 500 -1.268 5.902 -16.615 1.00 45.44 C HETATM 1667 C2B HEC A 500 -1.603 4.911 -15.624 1.00 54.04 C HETATM 1668 C3B HEC A 500 -2.727 4.248 -16.072 1.00 54.24 C HETATM 1669 C4B HEC A 500 -2.979 4.702 -17.421 1.00 43.12 C HETATM 1670 CMB HEC A 500 -0.841 4.656 -14.350 1.00 63.04 C HETATM 1671 CAB HEC A 500 -3.526 3.189 -15.341 1.00 62.05 C HETATM 1672 CBB HEC A 500 -3.713 3.424 -13.840 1.00 3.42 C HETATM 1673 NC HEC A 500 -3.335 5.348 -20.318 1.00 51.30 N HETATM 1674 C1C HEC A 500 -4.036 4.431 -19.627 1.00 22.43 C HETATM 1675 C2C HEC A 500 -4.812 3.661 -20.578 1.00 32.31 C HETATM 1676 C3C HEC A 500 -4.476 4.117 -21.835 1.00 23.12 C HETATM 1677 C4C HEC A 500 -3.634 5.277 -21.645 1.00 64.52 C HETATM 1678 CMC HEC A 500 -5.645 2.439 -20.271 1.00 61.32 C HETATM 1679 CAC HEC A 500 -4.819 3.479 -23.176 1.00 60.14 C HETATM 1680 CBC HEC A 500 -6.318 3.450 -23.498 1.00 75.24 C HETATM 1681 ND HEC A 500 -1.857 7.652 -21.266 1.00 1.32 N HETATM 1682 C1D HEC A 500 -2.416 7.249 -22.436 1.00 53.21 C HETATM 1683 C2D HEC A 500 -2.067 8.224 -23.443 1.00 41.41 C HETATM 1684 C3D HEC A 500 -1.354 9.216 -22.818 1.00 64.12 C HETATM 1685 C4D HEC A 500 -1.208 8.824 -21.446 1.00 4.05 C HETATM 1686 CMD HEC A 500 -2.441 8.200 -24.902 1.00 55.10 C HETATM 1687 CAD HEC A 500 -0.932 10.532 -23.424 1.00 73.33 C HETATM 1688 CBD HEC A 500 -1.921 11.641 -23.074 1.00 42.42 C HETATM 1689 CGD HEC A 500 -1.238 12.978 -22.877 1.00 43.31 C HETATM 1690 O1D HEC A 500 -1.799 13.994 -23.331 1.00 34.31 O HETATM 1691 O2D HEC A 500 -0.134 12.980 -22.298 1.00 23.53 O HETATM 0 HMD3 HEC A 500 -2.041 7.298 -25.365 1.00 55.10 H new HETATM 0 HMD2 HEC A 500 -3.527 8.207 -24.999 1.00 55.10 H new HETATM 0 HMD1 HEC A 500 -2.026 9.077 -25.398 1.00 55.10 H new HETATM 0 HMC3 HEC A 500 -5.007 1.658 -19.857 1.00 61.32 H new HETATM 0 HMC2 HEC A 500 -6.418 2.698 -19.547 1.00 61.32 H new HETATM 0 HMC1 HEC A 500 -6.112 2.078 -21.187 1.00 61.32 H new HETATM 0 HMB3 HEC A 500 0.184 4.371 -14.590 1.00 63.04 H new HETATM 0 HMB2 HEC A 500 -0.833 5.561 -13.743 1.00 63.04 H new HETATM 0 HMB1 HEC A 500 -1.321 3.851 -13.794 1.00 63.04 H new HETATM 0 HMA3 HEC A 500 2.576 9.552 -16.246 1.00 33.41 H new HETATM 0 HMA2 HEC A 500 1.155 10.403 -15.594 1.00 33.41 H new HETATM 0 HMA1 HEC A 500 1.407 8.681 -15.224 1.00 33.41 H new HETATM 0 HBD2 HEC A 500 -2.662 11.728 -23.868 1.00 42.42 H new HETATM 0 HBD1 HEC A 500 -2.458 11.372 -22.164 1.00 42.42 H new HETATM 0 HBC3 HEC A 500 -6.844 2.881 -22.731 1.00 75.24 H new HETATM 0 HBC2 HEC A 500 -6.705 4.469 -23.523 1.00 75.24 H new HETATM 0 HBC1 HEC A 500 -6.473 2.980 -24.469 1.00 75.24 H new HETATM 0 HBB3 HEC A 500 -2.738 3.464 -13.354 1.00 3.42 H new HETATM 0 HBB2 HEC A 500 -4.236 4.367 -13.682 1.00 3.42 H new HETATM 0 HBB1 HEC A 500 -4.298 2.609 -13.414 1.00 3.42 H new HETATM 0 HBA2 HEC A 500 2.831 11.524 -20.353 1.00 51.34 H new HETATM 0 HBA1 HEC A 500 3.531 10.498 -19.117 1.00 51.34 H new HETATM 0 HAD2 HEC A 500 0.061 10.800 -23.064 1.00 73.33 H new HETATM 0 HAD1 HEC A 500 -0.862 10.431 -24.507 1.00 73.33 H new HETATM 0 HAA2 HEC A 500 0.811 11.733 -19.254 1.00 41.22 H new HETATM 0 HAA1 HEC A 500 1.851 11.481 -17.866 1.00 41.22 H new HETATM 0 HHD HEC A 500 -3.523 5.918 -23.680 1.00 64.24 H new HETATM 0 HHC HEC A 500 -4.770 3.593 -17.809 1.00 71.13 H new HETATM 0 HHB HEC A 500 0.299 6.906 -15.539 1.00 20.13 H new HETATM 0 HHA HEC A 500 -0.139 10.539 -20.823 1.00 72.53 H new HETATM 0 H2A HEC A 500 3.595 8.231 -20.108 1.00 70.54 H new