USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 932 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 LYS NZ :NH3+ -179:sc= 0.951 (180deg=0.0293) USER MOD Set 1.2: A 104 SER OG : rot -65:sc= 0.793 USER MOD Set 2.1: A 70 GLN : amide:sc= -0.0705 X(o=-0.49,f=-0.57) USER MOD Set 2.2: A 74 ASN :FLIP amide:sc= -0.423 X(o=-0.57,f=-0.49) USER MOD Single : A 1 GLY N :NH3+ -154:sc= 0 (180deg=-0.0903) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc=-0.00659 X(o=-0.0066,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0537 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 124:sc= -0.367 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -169:sc= -0.977 (180deg=-1.37) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.051) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.508 K(o=-0.51,f=-2.3!) USER MOD Single : A 43 HIS : no HD1:sc= -0.0458 X(o=-0.046,f=-0.13) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.45) USER MOD Single : A 47 CYS SG : rot 79:sc= 0.444 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.728 X(o=-0.73,f=-0.41) USER MOD Single : A 56 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 58 CYS SG : rot 76:sc= 0.211 USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= 1.21 (180deg=0.781) USER MOD Single : A 62 TYR OH : rot -87:sc= 1 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.869 X(o=-0.87,f=-1.1) USER MOD Single : A 67 GLN : amide:sc= 0.155 X(o=0.16,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 152:sc= 1.28 (180deg=0.684) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -17:sc= -0.0254 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0.029) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 34:sc= 1.28 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.179 K(o=-0.18,f=-0.81) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.168 K(o=-0.17,f=-4.3!) USER MOD Single : A 107 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.23) USER MOD Single : A 108 SER OG : rot 180:sc=0.000477 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.156 -20.229 -1.728 1.00 1.25 N ATOM 2 CA GLY A 1 -13.206 -19.265 -2.284 1.00 24.31 C ATOM 3 C GLY A 1 -13.793 -18.547 -3.483 1.00 74.41 C ATOM 4 O GLY A 1 -13.530 -18.964 -4.611 1.00 72.14 O ATOM 0 H1 GLY A 1 -13.951 -20.376 -0.719 1.00 1.25 H new ATOM 0 H2 GLY A 1 -15.124 -19.864 -1.835 1.00 1.25 H new ATOM 0 H3 GLY A 1 -14.069 -21.133 -2.234 1.00 1.25 H new ATOM 0 HA2 GLY A 1 -12.932 -18.538 -1.520 1.00 24.31 H new ATOM 0 HA3 GLY A 1 -12.291 -19.780 -2.577 1.00 24.31 H new ATOM 8 N PRO A 2 -14.609 -17.505 -3.274 1.00 21.13 N ATOM 9 CA PRO A 2 -15.075 -16.632 -4.340 1.00 33.10 C ATOM 10 C PRO A 2 -13.968 -15.665 -4.779 1.00 31.23 C ATOM 11 O PRO A 2 -13.153 -15.208 -3.965 1.00 32.32 O ATOM 12 CB PRO A 2 -16.260 -15.875 -3.736 1.00 20.42 C ATOM 13 CG PRO A 2 -15.882 -15.779 -2.261 1.00 53.34 C ATOM 14 CD PRO A 2 -15.147 -17.083 -1.993 1.00 51.34 C ATOM 0 HA PRO A 2 -15.359 -17.189 -5.233 1.00 33.10 H new ATOM 0 HB2 PRO A 2 -16.383 -14.890 -4.187 1.00 20.42 H new ATOM 0 HB3 PRO A 2 -17.198 -16.411 -3.879 1.00 20.42 H new ATOM 0 HG2 PRO A 2 -15.248 -14.914 -2.065 1.00 53.34 H new ATOM 0 HG3 PRO A 2 -16.763 -15.678 -1.627 1.00 53.34 H new ATOM 0 HD2 PRO A 2 -14.351 -16.940 -1.263 1.00 51.34 H new ATOM 0 HD3 PRO A 2 -15.822 -17.836 -1.585 1.00 51.34 H new ATOM 22 N LEU A 3 -14.001 -15.312 -6.061 1.00 33.52 N ATOM 23 CA LEU A 3 -13.271 -14.203 -6.657 1.00 53.12 C ATOM 24 C LEU A 3 -14.255 -13.032 -6.802 1.00 21.41 C ATOM 25 O LEU A 3 -15.411 -13.110 -6.376 1.00 21.53 O ATOM 26 CB LEU A 3 -12.675 -14.649 -8.017 1.00 51.24 C ATOM 27 CG LEU A 3 -11.278 -15.298 -7.970 1.00 72.34 C ATOM 28 CD1 LEU A 3 -10.203 -14.307 -7.502 1.00 44.30 C ATOM 29 CD2 LEU A 3 -11.226 -16.567 -7.115 1.00 70.30 C ATOM 0 H LEU A 3 -14.566 -15.818 -6.743 1.00 33.52 H new ATOM 0 HA LEU A 3 -12.434 -13.885 -6.036 1.00 53.12 H new ATOM 0 HB2 LEU A 3 -13.365 -15.356 -8.478 1.00 51.24 H new ATOM 0 HB3 LEU A 3 -12.626 -13.778 -8.671 1.00 51.24 H new ATOM 0 HG LEU A 3 -11.065 -15.592 -8.998 1.00 72.34 H new ATOM 0 HD11 LEU A 3 -9.233 -14.804 -7.483 1.00 44.30 H new ATOM 0 HD12 LEU A 3 -10.164 -13.462 -8.189 1.00 44.30 H new ATOM 0 HD13 LEU A 3 -10.448 -13.951 -6.501 1.00 44.30 H new ATOM 0 HD21 LEU A 3 -10.214 -16.972 -7.126 1.00 70.30 H new ATOM 0 HD22 LEU A 3 -11.510 -16.327 -6.090 1.00 70.30 H new ATOM 0 HD23 LEU A 3 -11.917 -17.307 -7.519 1.00 70.30 H new ATOM 41 N GLY A 4 -13.794 -11.937 -7.407 1.00 55.33 N ATOM 42 CA GLY A 4 -14.618 -10.777 -7.687 1.00 41.35 C ATOM 43 C GLY A 4 -14.585 -9.844 -6.489 1.00 40.13 C ATOM 44 O GLY A 4 -15.049 -10.198 -5.403 1.00 43.23 O ATOM 0 H GLY A 4 -12.827 -11.837 -7.717 1.00 55.33 H new ATOM 0 HA2 GLY A 4 -14.253 -10.262 -8.575 1.00 41.35 H new ATOM 0 HA3 GLY A 4 -15.643 -11.085 -7.896 1.00 41.35 H new ATOM 48 N SER A 5 -14.041 -8.640 -6.684 1.00 42.54 N ATOM 49 CA SER A 5 -13.867 -7.659 -5.614 1.00 3.44 C ATOM 50 C SER A 5 -13.012 -8.245 -4.477 1.00 4.11 C ATOM 51 O SER A 5 -12.270 -9.216 -4.677 1.00 1.13 O ATOM 52 CB SER A 5 -15.244 -7.164 -5.129 1.00 3.10 C ATOM 53 OG SER A 5 -16.171 -7.014 -6.193 1.00 33.13 O ATOM 0 H SER A 5 -13.708 -8.319 -7.593 1.00 42.54 H new ATOM 0 HA SER A 5 -13.326 -6.793 -5.995 1.00 3.44 H new ATOM 0 HB2 SER A 5 -15.644 -7.868 -4.399 1.00 3.10 H new ATOM 0 HB3 SER A 5 -15.124 -6.209 -4.618 1.00 3.10 H new ATOM 0 HG SER A 5 -17.029 -6.700 -5.838 1.00 33.13 H new ATOM 59 N LEU A 6 -13.060 -7.631 -3.299 1.00 13.12 N ATOM 60 CA LEU A 6 -12.770 -8.297 -2.036 1.00 4.11 C ATOM 61 C LEU A 6 -14.054 -9.013 -1.632 1.00 45.43 C ATOM 62 O LEU A 6 -15.135 -8.431 -1.723 1.00 60.30 O ATOM 63 CB LEU A 6 -12.397 -7.249 -0.974 1.00 72.24 C ATOM 64 CG LEU A 6 -10.927 -6.781 -0.988 1.00 35.44 C ATOM 65 CD1 LEU A 6 -10.279 -6.703 -2.376 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.844 -5.397 -0.345 1.00 61.12 C ATOM 0 H LEU A 6 -13.304 -6.646 -3.194 1.00 13.12 H new ATOM 0 HA LEU A 6 -11.937 -8.994 -2.128 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.038 -6.378 -1.108 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -12.619 -7.660 0.011 1.00 72.24 H new ATOM 0 HG LEU A 6 -10.374 -7.540 -0.436 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -9.248 -6.365 -2.278 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -10.295 -7.689 -2.841 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -10.834 -6.000 -2.998 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.809 -5.055 -0.349 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -11.460 -4.696 -0.909 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -11.204 -5.451 0.682 1.00 61.12 H new ATOM 78 N ASP A 7 -13.957 -10.272 -1.218 1.00 75.13 N ATOM 79 CA ASP A 7 -15.078 -10.972 -0.587 1.00 1.34 C ATOM 80 C ASP A 7 -15.220 -10.551 0.875 1.00 50.11 C ATOM 81 O ASP A 7 -14.375 -9.812 1.381 1.00 25.20 O ATOM 82 CB ASP A 7 -14.882 -12.478 -0.666 1.00 22.15 C ATOM 83 CG ASP A 7 -16.223 -13.170 -0.438 1.00 51.25 C ATOM 84 OD1 ASP A 7 -17.129 -13.028 -1.289 1.00 12.54 O ATOM 85 OD2 ASP A 7 -16.363 -13.766 0.649 1.00 3.35 O1- ATOM 0 H ASP A 7 -13.110 -10.834 -1.307 1.00 75.13 H new ATOM 0 HA ASP A 7 -15.987 -10.703 -1.125 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -14.478 -12.754 -1.640 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -14.159 -12.803 0.083 1.00 22.15 H new ATOM 90 N GLN A 8 -16.245 -11.043 1.575 1.00 35.03 N ATOM 91 CA GLN A 8 -16.512 -10.719 2.963 1.00 31.00 C ATOM 92 C GLN A 8 -15.292 -10.979 3.841 1.00 15.44 C ATOM 93 O GLN A 8 -14.862 -10.075 4.559 1.00 42.40 O ATOM 94 CB GLN A 8 -17.743 -11.488 3.462 1.00 11.40 C ATOM 95 CG GLN A 8 -18.156 -10.947 4.839 1.00 73.15 C ATOM 96 CD GLN A 8 -19.554 -11.383 5.252 1.00 5.35 C ATOM 97 OE1 GLN A 8 -19.724 -12.073 6.252 1.00 73.41 O ATOM 98 NE2 GLN A 8 -20.559 -10.946 4.515 1.00 23.44 N ATOM 0 H GLN A 8 -16.923 -11.692 1.176 1.00 35.03 H new ATOM 0 HA GLN A 8 -16.729 -9.653 3.030 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -18.565 -11.380 2.755 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -17.518 -12.552 3.529 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -17.439 -11.286 5.587 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -18.110 -9.858 4.825 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -20.376 -10.374 3.690 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -21.518 -11.180 4.770 1.00 23.44 H new ATOM 107 N LYS A 9 -14.750 -12.201 3.792 1.00 54.03 N ATOM 108 CA LYS A 9 -13.616 -12.548 4.645 1.00 31.31 C ATOM 109 C LYS A 9 -12.389 -11.777 4.186 1.00 71.23 C ATOM 110 O LYS A 9 -11.715 -11.157 4.999 1.00 2.24 O ATOM 111 CB LYS A 9 -13.359 -14.064 4.688 1.00 54.31 C ATOM 112 CG LYS A 9 -14.590 -14.849 5.170 1.00 72.00 C ATOM 113 CD LYS A 9 -14.242 -16.025 6.096 1.00 23.34 C ATOM 114 CE LYS A 9 -15.563 -16.713 6.443 1.00 1.24 C ATOM 115 NZ LYS A 9 -15.517 -17.582 7.631 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.073 -12.952 3.182 1.00 54.03 H new ATOM 0 HA LYS A 9 -13.852 -12.260 5.669 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -13.075 -14.411 3.694 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -12.517 -14.269 5.350 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -15.262 -14.170 5.695 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -15.132 -15.227 4.303 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -13.562 -16.719 5.602 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -13.740 -15.673 6.997 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -16.324 -15.948 6.600 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -15.881 -17.309 5.587 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -16.454 -18.004 7.789 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -14.818 -18.337 7.482 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -15.247 -17.019 8.463 1.00 21.22 H new ATOM 129 N THR A 10 -12.120 -11.781 2.882 1.00 74.25 N ATOM 130 CA THR A 10 -10.973 -11.143 2.254 1.00 13.54 C ATOM 131 C THR A 10 -10.848 -9.674 2.703 1.00 52.52 C ATOM 132 O THR A 10 -9.763 -9.230 3.099 1.00 61.23 O ATOM 133 CB THR A 10 -11.143 -11.308 0.731 1.00 0.01 C ATOM 134 OG1 THR A 10 -11.584 -12.625 0.415 1.00 34.44 O ATOM 135 CG2 THR A 10 -9.848 -11.033 -0.022 1.00 21.15 C ATOM 0 H THR A 10 -12.724 -12.251 2.208 1.00 74.25 H new ATOM 0 HA THR A 10 -10.036 -11.610 2.558 1.00 13.54 H new ATOM 0 HB THR A 10 -11.890 -10.577 0.419 1.00 0.01 H new ATOM 0 HG1 THR A 10 -11.688 -12.711 -0.556 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.015 -11.161 -1.092 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.523 -10.011 0.175 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.078 -11.729 0.311 1.00 21.15 H new ATOM 143 N PHE A 11 -11.970 -8.948 2.668 1.00 2.31 N ATOM 144 CA PHE A 11 -12.122 -7.572 3.146 1.00 54.43 C ATOM 145 C PHE A 11 -11.701 -7.424 4.611 1.00 2.41 C ATOM 146 O PHE A 11 -10.915 -6.546 4.959 1.00 32.02 O ATOM 147 CB PHE A 11 -13.588 -7.157 2.974 1.00 25.32 C ATOM 148 CG PHE A 11 -13.894 -5.701 3.260 1.00 64.11 C ATOM 149 CD1 PHE A 11 -14.228 -5.284 4.563 1.00 32.05 C ATOM 150 CD2 PHE A 11 -13.905 -4.769 2.207 1.00 71.24 C ATOM 151 CE1 PHE A 11 -14.580 -3.945 4.811 1.00 20.31 C ATOM 152 CE2 PHE A 11 -14.251 -3.431 2.455 1.00 72.32 C ATOM 153 CZ PHE A 11 -14.600 -3.017 3.753 1.00 65.24 C ATOM 0 H PHE A 11 -12.839 -9.323 2.287 1.00 2.31 H new ATOM 0 HA PHE A 11 -11.469 -6.925 2.560 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -13.892 -7.380 1.951 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.201 -7.774 3.631 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -14.214 -5.995 5.375 1.00 32.05 H new ATOM 0 HD2 PHE A 11 -13.647 -5.083 1.206 1.00 71.24 H new ATOM 0 HE1 PHE A 11 -14.835 -3.629 5.812 1.00 20.31 H new ATOM 0 HE2 PHE A 11 -14.249 -2.716 1.645 1.00 72.32 H new ATOM 0 HZ PHE A 11 -14.882 -1.991 3.937 1.00 65.24 H new ATOM 163 N SER A 12 -12.220 -8.288 5.479 1.00 52.41 N ATOM 164 CA SER A 12 -11.915 -8.241 6.900 1.00 3.30 C ATOM 165 C SER A 12 -10.435 -8.546 7.161 1.00 51.11 C ATOM 166 O SER A 12 -9.837 -7.955 8.063 1.00 3.04 O ATOM 167 CB SER A 12 -12.867 -9.184 7.643 1.00 34.53 C ATOM 168 OG SER A 12 -14.163 -8.597 7.657 1.00 33.32 O ATOM 0 H SER A 12 -12.861 -9.036 5.215 1.00 52.41 H new ATOM 0 HA SER A 12 -12.075 -7.233 7.283 1.00 3.30 H new ATOM 0 HB2 SER A 12 -12.897 -10.157 7.152 1.00 34.53 H new ATOM 0 HB3 SER A 12 -12.516 -9.352 8.661 1.00 34.53 H new ATOM 0 HG SER A 12 -14.785 -9.190 8.128 1.00 33.32 H new ATOM 174 N ILE A 13 -9.817 -9.405 6.346 1.00 45.32 N ATOM 175 CA ILE A 13 -8.411 -9.740 6.507 1.00 14.50 C ATOM 176 C ILE A 13 -7.574 -8.508 6.171 1.00 34.12 C ATOM 177 O ILE A 13 -6.768 -8.109 7.008 1.00 34.35 O ATOM 178 CB ILE A 13 -8.008 -10.957 5.646 1.00 15.23 C ATOM 179 CG1 ILE A 13 -8.805 -12.263 5.899 1.00 24.34 C ATOM 180 CG2 ILE A 13 -6.499 -11.227 5.828 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.499 -12.412 7.257 1.00 3.22 C ATOM 0 H ILE A 13 -10.275 -9.879 5.568 1.00 45.32 H new ATOM 0 HA ILE A 13 -8.227 -10.030 7.542 1.00 14.50 H new ATOM 0 HB ILE A 13 -8.255 -10.677 4.622 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -9.564 -12.351 5.121 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -8.123 -13.104 5.775 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -6.207 -12.085 5.223 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -5.932 -10.351 5.513 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.291 -11.435 6.877 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -10.018 -13.370 7.297 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -8.755 -12.368 8.053 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -10.219 -11.604 7.388 1.00 3.22 H new ATOM 193 N CYS A 14 -7.725 -7.905 4.981 1.00 42.43 N ATOM 194 CA CYS A 14 -7.016 -6.648 4.707 1.00 71.02 C ATOM 195 C CYS A 14 -7.211 -5.569 5.767 1.00 75.44 C ATOM 196 O CYS A 14 -6.237 -4.897 6.105 1.00 53.24 O ATOM 197 CB CYS A 14 -7.213 -6.108 3.289 1.00 61.45 C ATOM 198 SG CYS A 14 -8.907 -6.227 2.678 1.00 44.54 S ATOM 0 H CYS A 14 -8.309 -8.252 4.220 1.00 42.43 H new ATOM 0 HA CYS A 14 -5.967 -6.938 4.771 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -6.903 -5.063 3.264 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -6.555 -6.652 2.611 1.00 61.45 H new ATOM 0 HG CYS A 14 -9.321 -5.049 2.316 1.00 44.54 H new ATOM 204 N LYS A 15 -8.416 -5.447 6.323 1.00 61.20 N ATOM 205 CA LYS A 15 -8.683 -4.521 7.420 1.00 71.41 C ATOM 206 C LYS A 15 -7.727 -4.756 8.592 1.00 64.32 C ATOM 207 O LYS A 15 -7.034 -3.826 9.001 1.00 53.44 O ATOM 208 CB LYS A 15 -10.157 -4.613 7.839 1.00 2.12 C ATOM 209 CG LYS A 15 -10.632 -3.310 8.491 1.00 72.43 C ATOM 210 CD LYS A 15 -12.019 -3.516 9.101 1.00 54.23 C ATOM 211 CE LYS A 15 -12.663 -2.175 9.461 1.00 22.04 C ATOM 212 NZ LYS A 15 -13.854 -2.368 10.309 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.230 -5.985 6.027 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.500 -3.503 7.075 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -10.773 -4.831 6.966 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.288 -5.440 8.536 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -9.927 -3.000 9.262 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -10.665 -2.512 7.750 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -12.655 -4.051 8.396 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -11.939 -4.137 9.993 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -11.939 -1.549 9.983 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -12.943 -1.647 8.550 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -14.271 -1.443 10.538 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -14.553 -2.946 9.800 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -13.580 -2.851 11.188 1.00 53.52 H new ATOM 226 N GLU A 16 -7.665 -5.982 9.121 1.00 32.01 N ATOM 227 CA GLU A 16 -6.756 -6.311 10.219 1.00 34.41 C ATOM 228 C GLU A 16 -5.286 -6.226 9.780 1.00 35.03 C ATOM 229 O GLU A 16 -4.433 -5.827 10.569 1.00 3.44 O ATOM 230 CB GLU A 16 -7.063 -7.713 10.778 1.00 11.31 C ATOM 231 CG GLU A 16 -8.242 -7.742 11.765 1.00 11.31 C ATOM 232 CD GLU A 16 -7.884 -7.203 13.166 1.00 44.31 C ATOM 233 OE1 GLU A 16 -7.074 -7.828 13.878 1.00 55.10 O1- ATOM 234 OE2 GLU A 16 -8.417 -6.149 13.600 1.00 73.22 O ATOM 0 H GLU A 16 -8.237 -6.765 8.804 1.00 32.01 H new ATOM 0 HA GLU A 16 -6.915 -5.574 11.006 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -7.279 -8.386 9.948 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -6.174 -8.098 11.277 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -9.063 -7.152 11.356 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -8.602 -8.767 11.859 1.00 11.31 H new ATOM 241 N ARG A 17 -4.951 -6.602 8.543 1.00 63.14 N ATOM 242 CA ARG A 17 -3.560 -6.577 8.090 1.00 23.14 C ATOM 243 C ARG A 17 -3.034 -5.143 7.982 1.00 53.13 C ATOM 244 O ARG A 17 -1.867 -4.913 8.295 1.00 22.52 O ATOM 245 CB ARG A 17 -3.384 -7.363 6.774 1.00 51.25 C ATOM 246 CG ARG A 17 -3.427 -8.907 6.883 1.00 12.51 C ATOM 247 CD ARG A 17 -2.477 -9.432 7.967 1.00 23.13 C ATOM 248 NE ARG A 17 -2.034 -10.829 7.793 1.00 4.42 N ATOM 249 CZ ARG A 17 -1.921 -11.770 8.745 1.00 41.23 C ATOM 250 NH1 ARG A 17 -2.478 -11.608 9.933 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -1.241 -12.889 8.543 1.00 54.34 N ATOM 0 H ARG A 17 -5.619 -6.925 7.843 1.00 63.14 H new ATOM 0 HA ARG A 17 -2.955 -7.080 8.844 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.164 -7.048 6.081 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -2.430 -7.078 6.331 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -4.445 -9.227 7.107 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -3.159 -9.346 5.922 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -1.597 -8.790 7.998 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -2.971 -9.342 8.935 1.00 23.13 H new ATOM 0 HE ARG A 17 -1.786 -11.111 6.845 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -3.004 -10.758 10.138 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -2.382 -12.333 10.644 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -0.786 -13.054 7.645 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -1.173 -13.585 9.285 1.00 54.34 H new ATOM 265 N MET A 18 -3.862 -4.166 7.605 1.00 71.35 N ATOM 266 CA MET A 18 -3.497 -2.748 7.521 1.00 21.12 C ATOM 267 C MET A 18 -3.548 -2.021 8.875 1.00 10.24 C ATOM 268 O MET A 18 -3.496 -0.792 8.923 1.00 60.01 O ATOM 269 CB MET A 18 -4.409 -2.044 6.508 1.00 35.41 C ATOM 270 CG MET A 18 -4.144 -2.369 5.037 1.00 63.51 C ATOM 271 SD MET A 18 -2.484 -1.996 4.427 1.00 62.02 S ATOM 272 CE MET A 18 -1.752 -3.623 4.613 1.00 72.55 C ATOM 0 H MET A 18 -4.832 -4.343 7.342 1.00 71.35 H new ATOM 0 HA MET A 18 -2.459 -2.706 7.192 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.443 -2.302 6.737 1.00 35.41 H new ATOM 0 HB3 MET A 18 -4.311 -0.967 6.646 1.00 35.41 H new ATOM 0 HG2 MET A 18 -4.337 -3.430 4.880 1.00 63.51 H new ATOM 0 HG3 MET A 18 -4.864 -1.821 4.429 1.00 63.51 H new ATOM 0 HE1 MET A 18 -0.673 -3.555 4.472 1.00 72.55 H new ATOM 0 HE2 MET A 18 -1.964 -4.005 5.611 1.00 72.55 H new ATOM 0 HE3 MET A 18 -2.173 -4.299 3.869 1.00 72.55 H new ATOM 282 N ARG A 19 -3.610 -2.735 9.998 1.00 70.53 N ATOM 283 CA ARG A 19 -3.711 -2.164 11.337 1.00 32.31 C ATOM 284 C ARG A 19 -2.538 -1.226 11.595 1.00 1.35 C ATOM 285 O ARG A 19 -2.776 -0.078 11.979 1.00 33.22 O ATOM 286 CB ARG A 19 -3.755 -3.287 12.382 1.00 55.31 C ATOM 287 CG ARG A 19 -5.168 -3.740 12.738 1.00 70.22 C ATOM 288 CD ARG A 19 -5.090 -5.029 13.576 1.00 11.33 C ATOM 289 NE ARG A 19 -5.952 -4.951 14.759 1.00 22.22 N ATOM 290 CZ ARG A 19 -5.642 -4.355 15.917 1.00 44.22 C ATOM 291 NH1 ARG A 19 -4.403 -3.929 16.155 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -6.588 -4.173 16.827 1.00 44.53 N ATOM 0 H ARG A 19 -3.591 -3.755 10.000 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.632 -1.587 11.414 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.193 -4.142 12.007 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -3.253 -2.948 13.288 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -5.683 -2.959 13.297 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.746 -3.916 11.831 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -5.386 -5.881 12.964 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -4.059 -5.202 13.886 1.00 11.33 H new ATOM 0 HE ARG A 19 -6.870 -5.390 14.694 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -3.676 -4.055 15.451 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -4.181 -3.477 17.042 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -7.541 -4.486 16.642 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -6.363 -3.720 17.713 1.00 44.53 H new ATOM 306 N PRO A 20 -1.284 -1.657 11.355 1.00 55.23 N ATOM 307 CA PRO A 20 -0.121 -0.818 11.578 1.00 5.31 C ATOM 308 C PRO A 20 -0.045 0.442 10.707 1.00 5.24 C ATOM 309 O PRO A 20 0.822 1.278 10.961 1.00 22.40 O ATOM 310 CB PRO A 20 1.066 -1.740 11.314 1.00 24.21 C ATOM 311 CG PRO A 20 0.553 -2.880 10.463 1.00 41.52 C ATOM 312 CD PRO A 20 -0.832 -3.016 11.051 1.00 62.13 C ATOM 0 HA PRO A 20 -0.150 -0.411 12.589 1.00 5.31 H new ATOM 0 HB2 PRO A 20 1.865 -1.204 10.802 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.482 -2.113 12.250 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.536 -2.637 9.401 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.147 -3.787 10.573 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.507 -3.502 10.347 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -0.814 -3.630 11.951 1.00 62.13 H new ATOM 320 N VAL A 21 -0.884 0.587 9.683 1.00 53.43 N ATOM 321 CA VAL A 21 -0.853 1.681 8.713 1.00 65.33 C ATOM 322 C VAL A 21 -2.227 2.330 8.499 1.00 34.13 C ATOM 323 O VAL A 21 -2.460 3.017 7.504 1.00 65.24 O ATOM 324 CB VAL A 21 -0.135 1.226 7.424 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.356 1.507 7.582 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.342 -0.256 7.058 1.00 41.14 C ATOM 0 H VAL A 21 -1.633 -0.080 9.499 1.00 53.43 H new ATOM 0 HA VAL A 21 -0.258 2.497 9.123 1.00 65.33 H new ATOM 0 HB VAL A 21 -0.577 1.791 6.604 1.00 4.30 H new ATOM 0 HG11 VAL A 21 1.883 1.193 6.681 1.00 52.03 H new ATOM 0 HG12 VAL A 21 1.510 2.575 7.739 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.741 0.955 8.439 1.00 52.03 H new ATOM 0 HG21 VAL A 21 0.199 -0.483 6.139 1.00 41.14 H new ATOM 0 HG22 VAL A 21 0.033 -0.886 7.865 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.405 -0.449 6.910 1.00 41.14 H new ATOM 336 N LYS A 22 -3.142 2.198 9.463 1.00 4.01 N ATOM 337 CA LYS A 22 -4.437 2.881 9.451 1.00 52.15 C ATOM 338 C LYS A 22 -4.305 4.406 9.344 1.00 32.24 C ATOM 339 O LYS A 22 -5.064 5.032 8.593 1.00 35.14 O ATOM 340 CB LYS A 22 -5.200 2.505 10.723 1.00 14.31 C ATOM 341 CG LYS A 22 -6.030 1.218 10.611 1.00 51.24 C ATOM 342 CD LYS A 22 -6.328 0.642 12.002 1.00 4.42 C ATOM 343 CE LYS A 22 -6.930 1.690 12.946 1.00 30.13 C ATOM 344 NZ LYS A 22 -6.872 1.257 14.349 1.00 62.13 N1+ ATOM 0 H LYS A 22 -3.002 1.607 10.283 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.981 2.556 8.564 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -4.487 2.392 11.539 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -5.863 3.328 10.990 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -6.965 1.426 10.090 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -5.490 0.482 10.015 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -7.017 -0.197 11.906 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -5.408 0.250 12.436 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -6.393 2.632 12.834 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -7.966 1.879 12.666 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -7.288 1.991 14.956 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -7.406 0.371 14.461 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -5.881 1.101 14.624 1.00 62.13 H new ATOM 358 N ALA A 23 -3.370 5.013 10.081 1.00 3.10 N ATOM 359 CA ALA A 23 -3.142 6.450 9.981 1.00 60.23 C ATOM 360 C ALA A 23 -2.645 6.803 8.577 1.00 22.25 C ATOM 361 O ALA A 23 -3.140 7.763 7.999 1.00 61.41 O ATOM 362 CB ALA A 23 -2.173 6.939 11.063 1.00 13.54 C ATOM 0 H ALA A 23 -2.765 4.533 10.747 1.00 3.10 H new ATOM 0 HA ALA A 23 -4.088 6.965 10.150 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -2.025 8.014 10.960 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -2.588 6.723 12.048 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -1.216 6.429 10.952 1.00 13.54 H new ATOM 368 N ALA A 24 -1.727 6.011 8.008 1.00 33.30 N ATOM 369 CA ALA A 24 -1.232 6.215 6.647 1.00 54.32 C ATOM 370 C ALA A 24 -2.385 6.138 5.634 1.00 25.33 C ATOM 371 O ALA A 24 -2.473 6.972 4.742 1.00 41.25 O ATOM 372 CB ALA A 24 -0.140 5.188 6.320 1.00 1.31 C ATOM 0 H ALA A 24 -1.308 5.211 8.482 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.795 7.211 6.579 1.00 54.32 H new ATOM 0 HB1 ALA A 24 0.220 5.351 5.304 1.00 1.31 H new ATOM 0 HB2 ALA A 24 0.687 5.301 7.021 1.00 1.31 H new ATOM 0 HB3 ALA A 24 -0.551 4.182 6.403 1.00 1.31 H new ATOM 378 N LEU A 25 -3.286 5.167 5.823 1.00 62.25 N ATOM 379 CA LEU A 25 -4.527 4.999 5.065 1.00 63.42 C ATOM 380 C LEU A 25 -5.340 6.291 5.057 1.00 64.02 C ATOM 381 O LEU A 25 -5.781 6.729 3.996 1.00 34.33 O ATOM 382 CB LEU A 25 -5.358 3.841 5.658 1.00 1.32 C ATOM 383 CG LEU A 25 -5.310 2.543 4.842 1.00 2.24 C ATOM 384 CD1 LEU A 25 -5.508 1.325 5.748 1.00 2.21 C ATOM 385 CD2 LEU A 25 -6.394 2.508 3.783 1.00 60.44 C ATOM 0 H LEU A 25 -3.164 4.449 6.537 1.00 62.25 H new ATOM 0 HA LEU A 25 -4.270 4.756 4.034 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -5.002 3.634 6.667 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -6.396 4.163 5.745 1.00 1.32 H new ATOM 0 HG LEU A 25 -4.330 2.512 4.366 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -5.470 0.416 5.148 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -4.718 1.298 6.499 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -6.477 1.393 6.243 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -6.328 1.574 3.226 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -7.371 2.578 4.260 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -6.263 3.348 3.100 1.00 60.44 H new ATOM 397 N LYS A 26 -5.557 6.901 6.231 1.00 54.00 N ATOM 398 CA LYS A 26 -6.260 8.184 6.254 1.00 74.52 C ATOM 399 C LYS A 26 -5.454 9.269 5.527 1.00 13.22 C ATOM 400 O LYS A 26 -6.001 9.977 4.682 1.00 65.43 O ATOM 401 CB LYS A 26 -6.638 8.608 7.677 1.00 21.25 C ATOM 402 CG LYS A 26 -7.562 9.841 7.614 1.00 45.03 C ATOM 403 CD LYS A 26 -8.079 10.278 8.987 1.00 54.44 C ATOM 404 CE LYS A 26 -9.138 9.288 9.472 1.00 30.32 C ATOM 405 NZ LYS A 26 -9.659 9.635 10.802 1.00 3.34 N1+ ATOM 0 H LYS A 26 -5.268 6.542 7.141 1.00 54.00 H new ATOM 0 HA LYS A 26 -7.196 8.052 5.712 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -7.141 7.789 8.191 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -5.740 8.841 8.250 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -7.021 10.669 7.156 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -8.411 9.618 6.967 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -7.256 10.324 9.700 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -8.504 11.280 8.925 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -9.961 9.261 8.758 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -8.709 8.286 9.502 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -10.374 8.936 11.088 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -8.880 9.636 11.491 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -10.093 10.580 10.769 1.00 3.34 H new ATOM 419 N GLN A 27 -4.167 9.395 5.851 1.00 44.31 N ATOM 420 CA GLN A 27 -3.276 10.454 5.366 1.00 45.20 C ATOM 421 C GLN A 27 -3.172 10.496 3.827 1.00 75.11 C ATOM 422 O GLN A 27 -2.776 11.525 3.283 1.00 3.23 O ATOM 423 CB GLN A 27 -1.875 10.301 6.005 1.00 63.33 C ATOM 424 CG GLN A 27 -1.795 10.642 7.512 1.00 62.13 C ATOM 425 CD GLN A 27 -1.559 12.125 7.829 1.00 71.01 C ATOM 426 OE1 GLN A 27 -1.771 13.011 7.002 1.00 33.44 O ATOM 427 NE2 GLN A 27 -1.139 12.463 9.040 1.00 1.20 N ATOM 0 H GLN A 27 -3.699 8.742 6.479 1.00 44.31 H new ATOM 0 HA GLN A 27 -3.714 11.405 5.670 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.539 9.274 5.863 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.176 10.942 5.467 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -2.722 10.327 7.990 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -0.991 10.058 7.959 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -0.959 11.741 9.737 1.00 1.20 H new ATOM 0 HE22 GLN A 27 -0.996 13.445 9.275 1.00 1.20 H new ATOM 436 N LEU A 28 -3.517 9.430 3.098 1.00 32.11 N ATOM 437 CA LEU A 28 -3.469 9.379 1.632 1.00 1.43 C ATOM 438 C LEU A 28 -4.797 9.770 0.968 1.00 13.42 C ATOM 439 O LEU A 28 -4.884 9.814 -0.265 1.00 2.11 O ATOM 440 CB LEU A 28 -2.992 7.984 1.200 1.00 33.02 C ATOM 441 CG LEU A 28 -1.473 7.903 0.946 1.00 3.21 C ATOM 442 CD1 LEU A 28 -0.596 8.479 2.069 1.00 34.30 C ATOM 443 CD2 LEU A 28 -1.115 6.428 0.764 1.00 62.12 C ATOM 0 H LEU A 28 -3.844 8.560 3.518 1.00 32.11 H new ATOM 0 HA LEU A 28 -2.757 10.129 1.286 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -3.262 7.262 1.970 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.520 7.694 0.292 1.00 33.02 H new ATOM 0 HG LEU A 28 -1.269 8.513 0.066 1.00 3.21 H new ATOM 0 HD11 LEU A 28 0.455 8.377 1.799 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -0.833 9.533 2.211 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -0.787 7.936 2.995 1.00 34.30 H new ATOM 0 HD21 LEU A 28 -0.045 6.333 0.582 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -1.380 5.875 1.665 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -1.665 6.022 -0.085 1.00 62.12 H new ATOM 455 N ASP A 29 -5.820 10.075 1.761 1.00 4.35 N ATOM 456 CA ASP A 29 -7.179 10.447 1.337 1.00 23.20 C ATOM 457 C ASP A 29 -7.618 11.767 1.964 1.00 70.54 C ATOM 458 O ASP A 29 -8.469 12.479 1.436 1.00 54.23 O ATOM 459 CB ASP A 29 -8.096 9.337 1.818 1.00 44.14 C ATOM 460 CG ASP A 29 -9.575 9.496 1.480 1.00 22.52 C ATOM 461 OD1 ASP A 29 -9.933 9.595 0.284 1.00 42.44 O ATOM 462 OD2 ASP A 29 -10.389 9.361 2.425 1.00 31.42 O1- ATOM 0 H ASP A 29 -5.724 10.071 2.776 1.00 4.35 H new ATOM 0 HA ASP A 29 -7.213 10.574 0.255 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -7.746 8.395 1.395 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -7.998 9.256 2.901 1.00 44.14 H new ATOM 467 N ARG A 30 -7.025 12.099 3.106 1.00 1.15 N ATOM 468 CA ARG A 30 -7.043 13.401 3.748 1.00 60.23 C ATOM 469 C ARG A 30 -5.606 13.680 4.211 1.00 21.12 C ATOM 470 O ARG A 30 -5.276 13.325 5.344 1.00 42.23 O ATOM 471 CB ARG A 30 -8.053 13.426 4.913 1.00 12.30 C ATOM 472 CG ARG A 30 -9.522 13.605 4.493 1.00 32.22 C ATOM 473 CD ARG A 30 -10.289 12.290 4.301 1.00 61.42 C ATOM 474 NE ARG A 30 -11.681 12.544 3.885 1.00 74.33 N ATOM 475 CZ ARG A 30 -12.116 12.687 2.625 1.00 54.25 C ATOM 476 NH1 ARG A 30 -11.281 12.606 1.597 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -13.404 12.927 2.395 1.00 42.22 N ATOM 0 H ARG A 30 -6.485 11.418 3.640 1.00 1.15 H new ATOM 0 HA ARG A 30 -7.371 14.182 3.061 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -7.961 12.496 5.474 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -7.783 14.235 5.591 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -10.033 14.203 5.247 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -9.555 14.171 3.562 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -9.787 11.679 3.551 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -10.282 11.722 5.231 1.00 61.42 H new ATOM 0 HE ARG A 30 -12.378 12.618 4.626 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -10.289 12.432 1.758 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -11.631 12.718 0.646 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -14.056 13.002 3.176 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -13.739 13.037 1.438 1.00 42.22 H new ATOM 491 N PRO A 31 -4.721 14.224 3.358 1.00 42.22 N ATOM 492 CA PRO A 31 -3.361 14.575 3.763 1.00 54.35 C ATOM 493 C PRO A 31 -3.379 15.753 4.732 1.00 4.11 C ATOM 494 O PRO A 31 -4.339 16.524 4.762 1.00 74.21 O ATOM 495 CB PRO A 31 -2.629 14.924 2.466 1.00 32.13 C ATOM 496 CG PRO A 31 -3.747 15.440 1.562 1.00 42.02 C ATOM 497 CD PRO A 31 -4.948 14.588 1.969 1.00 44.54 C ATOM 0 HA PRO A 31 -2.864 13.760 4.288 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -1.861 15.680 2.628 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -2.133 14.053 2.037 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -3.935 16.502 1.720 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -3.503 15.313 0.507 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -5.878 15.145 1.857 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -5.030 13.701 1.340 1.00 44.54 H new ATOM 505 N GLU A 32 -2.311 15.908 5.512 1.00 1.13 N ATOM 506 CA GLU A 32 -2.169 17.033 6.423 1.00 30.44 C ATOM 507 C GLU A 32 -1.653 18.257 5.659 1.00 4.33 C ATOM 508 O GLU A 32 -1.198 18.152 4.516 1.00 30.13 O ATOM 509 CB GLU A 32 -1.265 16.629 7.600 1.00 33.11 C ATOM 510 CG GLU A 32 -1.618 17.421 8.866 1.00 14.44 C ATOM 511 CD GLU A 32 -1.377 16.636 10.156 1.00 31.31 C ATOM 512 OE1 GLU A 32 -1.997 15.557 10.331 1.00 41.22 O ATOM 513 OE2 GLU A 32 -0.664 17.139 11.046 1.00 23.13 O1- ATOM 0 H GLU A 32 -1.525 15.258 5.528 1.00 1.13 H new ATOM 0 HA GLU A 32 -3.136 17.310 6.843 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -1.371 15.562 7.794 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -0.222 16.803 7.338 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -1.027 18.337 8.890 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -2.666 17.719 8.820 1.00 14.44 H new ATOM 520 N LYS A 33 -1.719 19.439 6.278 1.00 52.24 N ATOM 521 CA LYS A 33 -1.576 20.726 5.603 1.00 32.14 C ATOM 522 C LYS A 33 -0.948 21.809 6.484 1.00 2.41 C ATOM 523 O LYS A 33 -0.879 22.975 6.092 1.00 0.40 O ATOM 524 CB LYS A 33 -2.949 21.137 5.036 1.00 62.42 C ATOM 525 CG LYS A 33 -3.998 21.355 6.138 1.00 63.41 C ATOM 526 CD LYS A 33 -5.414 21.532 5.577 1.00 51.51 C ATOM 527 CE LYS A 33 -6.401 21.727 6.734 1.00 43.22 C ATOM 528 NZ LYS A 33 -6.260 23.055 7.363 1.00 43.21 N1+ ATOM 0 H LYS A 33 -1.876 19.527 7.282 1.00 52.24 H new ATOM 0 HA LYS A 33 -0.867 20.612 4.783 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -2.840 22.053 4.456 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -3.301 20.366 4.351 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -3.985 20.505 6.820 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -3.729 22.236 6.721 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -5.447 22.392 4.908 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -5.695 20.659 4.988 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -7.420 21.607 6.366 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -6.239 20.952 7.483 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -7.040 23.206 8.035 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -5.353 23.105 7.869 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -6.288 23.791 6.629 1.00 43.21 H new ATOM 542 N GLY A 34 -0.505 21.447 7.685 1.00 62.23 N ATOM 543 CA GLY A 34 -0.079 22.368 8.728 1.00 43.33 C ATOM 544 C GLY A 34 1.370 22.157 9.143 1.00 1.12 C ATOM 545 O GLY A 34 1.709 22.527 10.268 1.00 35.04 O ATOM 0 H GLY A 34 -0.431 20.469 7.966 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -0.206 23.392 8.377 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -0.723 22.247 9.599 1.00 43.33 H new ATOM 549 N LEU A 35 2.207 21.550 8.294 1.00 20.30 N ATOM 550 CA LEU A 35 3.616 21.311 8.554 1.00 75.01 C ATOM 551 C LEU A 35 4.419 22.179 7.576 1.00 50.32 C ATOM 552 O LEU A 35 3.859 22.897 6.736 1.00 62.14 O ATOM 553 CB LEU A 35 3.946 19.813 8.329 1.00 30.55 C ATOM 554 CG LEU A 35 3.389 18.780 9.331 1.00 75.10 C ATOM 555 CD1 LEU A 35 1.861 18.653 9.318 1.00 74.41 C ATOM 556 CD2 LEU A 35 3.962 17.407 8.952 1.00 10.10 C ATOM 0 H LEU A 35 1.906 21.205 7.383 1.00 20.30 H new ATOM 0 HA LEU A 35 3.867 21.564 9.584 1.00 75.01 H new ATOM 0 HB2 LEU A 35 3.587 19.540 7.337 1.00 30.55 H new ATOM 0 HB3 LEU A 35 5.031 19.711 8.315 1.00 30.55 H new ATOM 0 HG LEU A 35 3.678 19.118 10.326 1.00 75.10 H new ATOM 0 HD11 LEU A 35 1.552 17.907 10.050 1.00 74.41 H new ATOM 0 HD12 LEU A 35 1.414 19.615 9.569 1.00 74.41 H new ATOM 0 HD13 LEU A 35 1.530 18.347 8.326 1.00 74.41 H new ATOM 0 HD21 LEU A 35 3.586 16.653 9.643 1.00 10.10 H new ATOM 0 HD22 LEU A 35 3.657 17.153 7.937 1.00 10.10 H new ATOM 0 HD23 LEU A 35 5.050 17.439 9.006 1.00 10.10 H new ATOM 568 N SER A 36 5.737 22.023 7.638 1.00 13.30 N ATOM 569 CA SER A 36 6.711 22.669 6.783 1.00 21.20 C ATOM 570 C SER A 36 6.613 22.169 5.344 1.00 65.31 C ATOM 571 O SER A 36 6.076 21.104 5.057 1.00 60.15 O ATOM 572 CB SER A 36 8.128 22.425 7.320 1.00 50.44 C ATOM 573 OG SER A 36 8.871 23.628 7.344 1.00 62.23 O ATOM 0 H SER A 36 6.172 21.408 8.325 1.00 13.30 H new ATOM 0 HA SER A 36 6.497 23.738 6.786 1.00 21.20 H new ATOM 0 HB2 SER A 36 8.074 22.006 8.325 1.00 50.44 H new ATOM 0 HB3 SER A 36 8.637 21.691 6.696 1.00 50.44 H new ATOM 0 HG SER A 36 9.770 23.450 7.691 1.00 62.23 H new ATOM 579 N GLU A 37 7.237 22.922 4.454 1.00 43.12 N ATOM 580 CA GLU A 37 7.218 22.749 3.012 1.00 23.33 C ATOM 581 C GLU A 37 7.692 21.359 2.572 1.00 0.42 C ATOM 582 O GLU A 37 6.953 20.665 1.873 1.00 53.05 O ATOM 583 CB GLU A 37 8.005 23.897 2.363 1.00 4.24 C ATOM 584 CG GLU A 37 9.418 24.123 2.934 1.00 51.34 C ATOM 585 CD GLU A 37 10.004 25.435 2.435 1.00 10.03 C ATOM 586 OE1 GLU A 37 10.396 25.480 1.241 1.00 32.52 O1- ATOM 587 OE2 GLU A 37 10.098 26.400 3.216 1.00 20.55 O ATOM 0 H GLU A 37 7.806 23.720 4.737 1.00 43.12 H new ATOM 0 HA GLU A 37 6.187 22.798 2.662 1.00 23.33 H new ATOM 0 HB2 GLU A 37 8.089 23.701 1.294 1.00 4.24 H new ATOM 0 HB3 GLU A 37 7.433 24.818 2.475 1.00 4.24 H new ATOM 0 HG2 GLU A 37 9.377 24.130 4.023 1.00 51.34 H new ATOM 0 HG3 GLU A 37 10.068 23.297 2.644 1.00 51.34 H new ATOM 594 N ARG A 38 8.902 20.933 2.950 1.00 21.15 N ATOM 595 CA ARG A 38 9.404 19.608 2.582 1.00 61.30 C ATOM 596 C ARG A 38 8.868 18.548 3.531 1.00 25.54 C ATOM 597 O ARG A 38 8.749 17.387 3.128 1.00 2.34 O ATOM 598 CB ARG A 38 10.937 19.613 2.607 1.00 12.35 C ATOM 599 CG ARG A 38 11.552 18.357 1.960 1.00 63.40 C ATOM 600 CD ARG A 38 12.982 18.581 1.442 1.00 71.42 C ATOM 601 NE ARG A 38 13.935 18.903 2.517 1.00 64.41 N ATOM 602 CZ ARG A 38 15.156 19.420 2.348 1.00 71.50 C ATOM 603 NH1 ARG A 38 15.646 19.671 1.137 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 15.876 19.747 3.412 1.00 51.23 N ATOM 0 H ARG A 38 9.550 21.487 3.510 1.00 21.15 H new ATOM 0 HA ARG A 38 9.060 19.370 1.575 1.00 61.30 H new ATOM 0 HB2 ARG A 38 11.301 20.499 2.086 1.00 12.35 H new ATOM 0 HB3 ARG A 38 11.278 19.688 3.640 1.00 12.35 H new ATOM 0 HG2 ARG A 38 11.559 17.547 2.689 1.00 63.40 H new ATOM 0 HG3 ARG A 38 10.919 18.035 1.133 1.00 63.40 H new ATOM 0 HD2 ARG A 38 13.319 17.685 0.920 1.00 71.42 H new ATOM 0 HD3 ARG A 38 12.977 19.391 0.713 1.00 71.42 H new ATOM 0 HE ARG A 38 13.638 18.715 3.474 1.00 64.41 H new ATOM 0 HH11 ARG A 38 15.087 19.469 0.308 1.00 14.30 H new ATOM 0 HH12 ARG A 38 16.581 20.066 1.037 1.00 14.30 H new ATOM 0 HH21 ARG A 38 15.497 19.603 4.348 1.00 51.23 H new ATOM 0 HH22 ARG A 38 16.809 20.142 3.295 1.00 51.23 H new ATOM 618 N GLU A 39 8.537 18.947 4.762 1.00 34.32 N ATOM 619 CA GLU A 39 8.022 18.046 5.779 1.00 22.23 C ATOM 620 C GLU A 39 6.788 17.327 5.268 1.00 4.10 C ATOM 621 O GLU A 39 6.668 16.126 5.487 1.00 34.05 O ATOM 622 CB GLU A 39 7.668 18.797 7.076 1.00 71.25 C ATOM 623 CG GLU A 39 8.872 19.110 7.962 1.00 31.04 C ATOM 624 CD GLU A 39 9.345 17.837 8.663 1.00 75.22 C ATOM 625 OE1 GLU A 39 9.897 16.949 7.979 1.00 73.33 O ATOM 626 OE2 GLU A 39 9.014 17.624 9.849 1.00 14.54 O1- ATOM 0 H GLU A 39 8.622 19.914 5.077 1.00 34.32 H new ATOM 0 HA GLU A 39 8.807 17.324 6.001 1.00 22.23 H new ATOM 0 HB2 GLU A 39 7.168 19.730 6.818 1.00 71.25 H new ATOM 0 HB3 GLU A 39 6.956 18.200 7.646 1.00 71.25 H new ATOM 0 HG2 GLU A 39 9.680 19.526 7.360 1.00 31.04 H new ATOM 0 HG3 GLU A 39 8.604 19.865 8.701 1.00 31.04 H new ATOM 633 N GLN A 40 5.910 18.046 4.569 1.00 75.44 N ATOM 634 CA GLN A 40 4.687 17.507 4.012 1.00 33.21 C ATOM 635 C GLN A 40 4.998 16.336 3.087 1.00 45.12 C ATOM 636 O GLN A 40 4.410 15.261 3.205 1.00 73.12 O ATOM 637 CB GLN A 40 3.973 18.616 3.235 1.00 44.22 C ATOM 638 CG GLN A 40 3.570 19.820 4.103 1.00 34.02 C ATOM 639 CD GLN A 40 2.072 19.888 4.285 1.00 3.44 C ATOM 640 OE1 GLN A 40 1.406 20.745 3.711 1.00 24.20 O ATOM 641 NE2 GLN A 40 1.506 18.958 5.028 1.00 2.34 N ATOM 0 H GLN A 40 6.039 19.039 4.375 1.00 75.44 H new ATOM 0 HA GLN A 40 4.046 17.145 4.816 1.00 33.21 H new ATOM 0 HB2 GLN A 40 4.624 18.961 2.431 1.00 44.22 H new ATOM 0 HB3 GLN A 40 3.080 18.202 2.767 1.00 44.22 H new ATOM 0 HG2 GLN A 40 4.054 19.747 5.077 1.00 34.02 H new ATOM 0 HG3 GLN A 40 3.924 20.740 3.639 1.00 34.02 H new ATOM 0 HE21 GLN A 40 2.082 18.257 5.494 1.00 2.34 H new ATOM 0 HE22 GLN A 40 0.492 18.939 5.137 1.00 2.34 H new ATOM 650 N LEU A 41 5.927 16.550 2.153 1.00 41.12 N ATOM 651 CA LEU A 41 6.257 15.571 1.148 1.00 15.34 C ATOM 652 C LEU A 41 6.862 14.342 1.797 1.00 23.34 C ATOM 653 O LEU A 41 6.512 13.217 1.454 1.00 52.42 O ATOM 654 CB LEU A 41 7.237 16.216 0.163 1.00 21.03 C ATOM 655 CG LEU A 41 6.949 15.738 -1.262 1.00 0.11 C ATOM 656 CD1 LEU A 41 5.702 16.446 -1.789 1.00 22.31 C ATOM 657 CD2 LEU A 41 8.159 16.070 -2.125 1.00 65.33 C ATOM 0 H LEU A 41 6.466 17.413 2.083 1.00 41.12 H new ATOM 0 HA LEU A 41 5.362 15.251 0.615 1.00 15.34 H new ATOM 0 HB2 LEU A 41 7.153 17.302 0.214 1.00 21.03 H new ATOM 0 HB3 LEU A 41 8.261 15.962 0.439 1.00 21.03 H new ATOM 0 HG LEU A 41 6.769 14.663 -1.283 1.00 0.11 H new ATOM 0 HD11 LEU A 41 5.493 16.108 -2.804 1.00 22.31 H new ATOM 0 HD12 LEU A 41 4.852 16.213 -1.147 1.00 22.31 H new ATOM 0 HD13 LEU A 41 5.869 17.523 -1.792 1.00 22.31 H new ATOM 0 HD21 LEU A 41 7.978 15.739 -3.148 1.00 65.33 H new ATOM 0 HD22 LEU A 41 8.327 17.147 -2.117 1.00 65.33 H new ATOM 0 HD23 LEU A 41 9.039 15.562 -1.729 1.00 65.33 H new ATOM 669 N GLU A 42 7.803 14.546 2.715 1.00 33.24 N ATOM 670 CA GLU A 42 8.393 13.446 3.470 1.00 33.03 C ATOM 671 C GLU A 42 7.331 12.676 4.256 1.00 40.42 C ATOM 672 O GLU A 42 7.381 11.447 4.242 1.00 21.43 O ATOM 673 CB GLU A 42 9.532 13.941 4.368 1.00 30.51 C ATOM 674 CG GLU A 42 10.772 14.215 3.511 1.00 14.32 C ATOM 675 CD GLU A 42 12.062 14.391 4.308 1.00 3.02 C ATOM 676 OE1 GLU A 42 12.039 14.655 5.528 1.00 2.14 O1- ATOM 677 OE2 GLU A 42 13.142 14.253 3.688 1.00 44.20 O ATOM 0 H GLU A 42 8.174 15.466 2.954 1.00 33.24 H new ATOM 0 HA GLU A 42 8.828 12.745 2.758 1.00 33.03 H new ATOM 0 HB2 GLU A 42 9.230 14.848 4.891 1.00 30.51 H new ATOM 0 HB3 GLU A 42 9.760 13.195 5.130 1.00 30.51 H new ATOM 0 HG2 GLU A 42 10.903 13.392 2.809 1.00 14.32 H new ATOM 0 HG3 GLU A 42 10.599 15.114 2.920 1.00 14.32 H new ATOM 684 N HIS A 43 6.341 13.353 4.845 1.00 44.33 N ATOM 685 CA HIS A 43 5.243 12.710 5.555 1.00 44.01 C ATOM 686 C HIS A 43 4.502 11.767 4.602 1.00 54.41 C ATOM 687 O HIS A 43 4.273 10.603 4.942 1.00 14.03 O ATOM 688 CB HIS A 43 4.291 13.763 6.154 1.00 30.04 C ATOM 689 CG HIS A 43 3.482 13.308 7.348 1.00 15.00 C ATOM 690 ND1 HIS A 43 2.846 14.144 8.242 1.00 21.13 N ATOM 691 CD2 HIS A 43 3.280 12.024 7.781 1.00 25.41 C ATOM 692 CE1 HIS A 43 2.293 13.383 9.202 1.00 13.25 C ATOM 693 NE2 HIS A 43 2.544 12.081 8.970 1.00 71.41 N ATOM 0 H HIS A 43 6.283 14.371 4.840 1.00 44.33 H new ATOM 0 HA HIS A 43 5.643 12.125 6.383 1.00 44.01 H new ATOM 0 HB2 HIS A 43 4.878 14.634 6.446 1.00 30.04 H new ATOM 0 HB3 HIS A 43 3.603 14.090 5.375 1.00 30.04 H new ATOM 0 HD2 HIS A 43 3.627 11.126 7.291 1.00 25.41 H new ATOM 0 HE1 HIS A 43 1.728 13.762 10.040 1.00 13.25 H new ATOM 0 HE2 HIS A 43 2.255 11.291 9.547 1.00 71.41 H new ATOM 701 N THR A 44 4.156 12.234 3.398 1.00 62.13 N ATOM 702 CA THR A 44 3.490 11.407 2.401 1.00 71.14 C ATOM 703 C THR A 44 4.379 10.229 1.992 1.00 32.51 C ATOM 704 O THR A 44 3.882 9.112 1.869 1.00 73.14 O ATOM 705 CB THR A 44 3.104 12.256 1.177 1.00 22.00 C ATOM 706 OG1 THR A 44 2.419 13.423 1.576 1.00 22.10 O ATOM 707 CG2 THR A 44 2.197 11.459 0.235 1.00 62.22 C ATOM 0 H THR A 44 4.331 13.192 3.093 1.00 62.13 H new ATOM 0 HA THR A 44 2.578 11.001 2.839 1.00 71.14 H new ATOM 0 HB THR A 44 4.025 12.529 0.661 1.00 22.00 H new ATOM 0 HG1 THR A 44 2.183 13.951 0.785 1.00 22.10 H new ATOM 0 HG21 THR A 44 1.934 12.075 -0.625 1.00 62.22 H new ATOM 0 HG22 THR A 44 2.721 10.566 -0.105 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.289 11.168 0.764 1.00 62.22 H new ATOM 715 N ARG A 45 5.679 10.441 1.753 1.00 24.01 N ATOM 716 CA ARG A 45 6.595 9.363 1.372 1.00 72.21 C ATOM 717 C ARG A 45 6.656 8.307 2.469 1.00 64.44 C ATOM 718 O ARG A 45 6.529 7.126 2.154 1.00 71.53 O ATOM 719 CB ARG A 45 7.999 9.907 1.043 1.00 64.22 C ATOM 720 CG ARG A 45 8.134 10.260 -0.445 1.00 11.44 C ATOM 721 CD ARG A 45 7.429 11.557 -0.856 1.00 54.04 C ATOM 722 NE ARG A 45 6.956 11.548 -2.251 1.00 4.24 N ATOM 723 CZ ARG A 45 5.730 11.161 -2.623 1.00 42.41 C ATOM 724 NH1 ARG A 45 4.902 10.600 -1.747 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 5.321 11.333 -3.868 1.00 0.40 N ATOM 0 H ARG A 45 6.121 11.358 1.818 1.00 24.01 H new ATOM 0 HA ARG A 45 6.210 8.895 0.466 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.197 10.792 1.647 1.00 64.22 H new ATOM 0 HB3 ARG A 45 8.750 9.164 1.311 1.00 64.22 H new ATOM 0 HG2 ARG A 45 9.193 10.343 -0.691 1.00 11.44 H new ATOM 0 HG3 ARG A 45 7.732 9.439 -1.038 1.00 11.44 H new ATOM 0 HD2 ARG A 45 6.580 11.726 -0.193 1.00 54.04 H new ATOM 0 HD3 ARG A 45 8.114 12.394 -0.717 1.00 54.04 H new ATOM 0 HE ARG A 45 7.602 11.855 -2.978 1.00 4.24 H new ATOM 0 HH11 ARG A 45 5.199 10.461 -0.781 1.00 25.00 H new ATOM 0 HH12 ARG A 45 3.970 10.309 -2.041 1.00 25.00 H new ATOM 0 HH21 ARG A 45 5.941 11.764 -4.554 1.00 0.40 H new ATOM 0 HH22 ARG A 45 4.385 11.035 -4.143 1.00 0.40 H new ATOM 739 N GLN A 46 6.812 8.724 3.722 1.00 54.25 N ATOM 740 CA GLN A 46 6.780 7.864 4.889 1.00 14.35 C ATOM 741 C GLN A 46 5.489 7.048 4.961 1.00 34.32 C ATOM 742 O GLN A 46 5.563 5.846 5.201 1.00 63.33 O ATOM 743 CB GLN A 46 6.979 8.737 6.136 1.00 1.03 C ATOM 744 CG GLN A 46 8.466 8.995 6.393 1.00 71.03 C ATOM 745 CD GLN A 46 9.192 7.730 6.858 1.00 64.21 C ATOM 746 OE1 GLN A 46 8.683 6.938 7.653 1.00 2.51 O ATOM 747 NE2 GLN A 46 10.385 7.479 6.349 1.00 72.22 N ATOM 0 H GLN A 46 6.969 9.704 3.955 1.00 54.25 H new ATOM 0 HA GLN A 46 7.586 7.133 4.826 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.459 9.686 6.007 1.00 1.03 H new ATOM 0 HB3 GLN A 46 6.536 8.246 7.003 1.00 1.03 H new ATOM 0 HG2 GLN A 46 8.933 9.367 5.481 1.00 71.03 H new ATOM 0 HG3 GLN A 46 8.574 9.774 7.148 1.00 71.03 H new ATOM 0 HE21 GLN A 46 10.807 8.134 5.691 1.00 72.22 H new ATOM 0 HE22 GLN A 46 10.884 6.630 6.614 1.00 72.22 H new ATOM 756 N CYS A 47 4.322 7.658 4.732 1.00 43.24 N ATOM 757 CA CYS A 47 3.071 6.940 4.642 1.00 44.42 C ATOM 758 C CYS A 47 3.151 5.877 3.538 1.00 2.22 C ATOM 759 O CYS A 47 2.915 4.700 3.805 1.00 63.24 O ATOM 760 CB CYS A 47 1.952 7.954 4.388 1.00 3.33 C ATOM 761 SG CYS A 47 1.675 9.018 5.834 1.00 22.35 S ATOM 0 H CYS A 47 4.230 8.666 4.605 1.00 43.24 H new ATOM 0 HA CYS A 47 2.860 6.413 5.572 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.207 8.570 3.526 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.031 7.426 4.142 1.00 3.33 H new ATOM 0 HG CYS A 47 2.593 9.937 5.878 1.00 22.35 H new ATOM 767 N LEU A 48 3.502 6.288 2.317 1.00 4.13 N ATOM 768 CA LEU A 48 3.516 5.445 1.126 1.00 3.12 C ATOM 769 C LEU A 48 4.368 4.193 1.352 1.00 50.02 C ATOM 770 O LEU A 48 3.894 3.079 1.118 1.00 33.14 O ATOM 771 CB LEU A 48 4.031 6.257 -0.083 1.00 72.14 C ATOM 772 CG LEU A 48 3.409 5.915 -1.448 1.00 60.44 C ATOM 773 CD1 LEU A 48 3.301 4.418 -1.735 1.00 73.51 C ATOM 774 CD2 LEU A 48 2.033 6.565 -1.620 1.00 44.04 C ATOM 0 H LEU A 48 3.793 7.247 2.128 1.00 4.13 H new ATOM 0 HA LEU A 48 2.499 5.115 0.917 1.00 3.12 H new ATOM 0 HB2 LEU A 48 3.858 7.315 0.116 1.00 72.14 H new ATOM 0 HB3 LEU A 48 5.110 6.118 -0.154 1.00 72.14 H new ATOM 0 HG LEU A 48 4.109 6.327 -2.175 1.00 60.44 H new ATOM 0 HD11 LEU A 48 2.852 4.267 -2.717 1.00 73.51 H new ATOM 0 HD12 LEU A 48 4.295 3.972 -1.718 1.00 73.51 H new ATOM 0 HD13 LEU A 48 2.678 3.946 -0.975 1.00 73.51 H new ATOM 0 HD21 LEU A 48 1.625 6.301 -2.596 1.00 44.04 H new ATOM 0 HD22 LEU A 48 1.362 6.209 -0.838 1.00 44.04 H new ATOM 0 HD23 LEU A 48 2.131 7.648 -1.549 1.00 44.04 H new ATOM 786 N ILE A 49 5.628 4.364 1.770 1.00 4.15 N ATOM 787 CA ILE A 49 6.525 3.255 2.013 1.00 22.35 C ATOM 788 C ILE A 49 6.003 2.373 3.132 1.00 73.31 C ATOM 789 O ILE A 49 5.966 1.168 2.926 1.00 54.42 O ATOM 790 CB ILE A 49 8.002 3.671 2.184 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.314 4.583 3.393 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.467 4.335 0.879 1.00 45.11 C ATOM 793 CD1 ILE A 49 8.824 3.823 4.624 1.00 33.54 C ATOM 0 H ILE A 49 6.043 5.279 1.946 1.00 4.15 H new ATOM 0 HA ILE A 49 6.535 2.649 1.107 1.00 22.35 H new ATOM 0 HB ILE A 49 8.552 2.755 2.401 1.00 2.24 H new ATOM 0 HG12 ILE A 49 9.060 5.320 3.097 1.00 3.42 H new ATOM 0 HG13 ILE A 49 7.413 5.133 3.664 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.510 4.638 0.976 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.370 3.627 0.056 1.00 45.11 H new ATOM 0 HG23 ILE A 49 7.852 5.212 0.678 1.00 45.11 H new ATOM 0 HD11 ILE A 49 9.021 4.528 5.431 1.00 33.54 H new ATOM 0 HD12 ILE A 49 8.070 3.105 4.946 1.00 33.54 H new ATOM 0 HD13 ILE A 49 9.743 3.295 4.371 1.00 33.54 H new ATOM 805 N LYS A 50 5.547 2.922 4.264 1.00 54.03 N ATOM 806 CA LYS A 50 5.152 2.084 5.385 1.00 10.45 C ATOM 807 C LYS A 50 3.965 1.208 4.982 1.00 65.14 C ATOM 808 O LYS A 50 3.902 0.050 5.390 1.00 21.01 O ATOM 809 CB LYS A 50 4.886 2.964 6.624 1.00 64.21 C ATOM 810 CG LYS A 50 4.967 2.165 7.933 1.00 11.34 C ATOM 811 CD LYS A 50 6.405 1.843 8.381 1.00 30.02 C ATOM 812 CE LYS A 50 7.005 2.972 9.233 1.00 53.21 C ATOM 813 NZ LYS A 50 8.361 2.652 9.734 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.446 3.925 4.420 1.00 54.03 H new ATOM 0 HA LYS A 50 5.957 1.402 5.660 1.00 10.45 H new ATOM 0 HB2 LYS A 50 5.611 3.778 6.652 1.00 64.21 H new ATOM 0 HB3 LYS A 50 3.899 3.419 6.539 1.00 64.21 H new ATOM 0 HG2 LYS A 50 4.469 2.728 8.722 1.00 11.34 H new ATOM 0 HG3 LYS A 50 4.417 1.232 7.812 1.00 11.34 H new ATOM 0 HD2 LYS A 50 6.408 0.915 8.953 1.00 30.02 H new ATOM 0 HD3 LYS A 50 7.031 1.678 7.504 1.00 30.02 H new ATOM 0 HE2 LYS A 50 7.048 3.886 8.640 1.00 53.21 H new ATOM 0 HE3 LYS A 50 6.347 3.172 10.079 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 8.718 3.447 10.302 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 8.320 1.796 10.323 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 8.999 2.488 8.929 1.00 51.25 H new ATOM 827 N ILE A 51 3.037 1.721 4.164 1.00 24.51 N ATOM 828 CA ILE A 51 1.951 0.916 3.613 1.00 1.44 C ATOM 829 C ILE A 51 2.546 -0.192 2.751 1.00 1.23 C ATOM 830 O ILE A 51 2.274 -1.366 3.011 1.00 42.41 O ATOM 831 CB ILE A 51 0.938 1.773 2.822 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.273 2.823 3.733 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.155 0.864 2.242 1.00 64.43 C ATOM 834 CD1 ILE A 51 -0.457 3.909 2.946 1.00 62.13 C ATOM 0 H ILE A 51 3.021 2.698 3.870 1.00 24.51 H new ATOM 0 HA ILE A 51 1.390 0.471 4.434 1.00 1.44 H new ATOM 0 HB ILE A 51 1.475 2.285 2.024 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.433 2.326 4.398 1.00 72.01 H new ATOM 0 HG13 ILE A 51 1.033 3.285 4.363 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -0.871 1.467 1.683 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.298 0.129 1.576 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.669 0.350 3.054 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.906 4.621 3.639 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.251 4.428 2.300 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -1.238 3.454 2.337 1.00 62.13 H new ATOM 846 N GLY A 52 3.301 0.159 1.708 1.00 60.25 N ATOM 847 CA GLY A 52 3.781 -0.825 0.752 1.00 12.12 C ATOM 848 C GLY A 52 4.665 -1.882 1.412 1.00 41.42 C ATOM 849 O GLY A 52 4.636 -3.036 0.977 1.00 1.12 O ATOM 0 H GLY A 52 3.590 1.117 1.509 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.930 -1.311 0.274 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.344 -0.322 -0.034 1.00 12.12 H new ATOM 853 N ASP A 53 5.396 -1.503 2.458 1.00 15.43 N ATOM 854 CA ASP A 53 6.222 -2.345 3.303 1.00 23.03 C ATOM 855 C ASP A 53 5.324 -3.335 4.043 1.00 4.51 C ATOM 856 O ASP A 53 5.472 -4.534 3.825 1.00 64.45 O ATOM 857 CB ASP A 53 7.056 -1.492 4.284 1.00 51.04 C ATOM 858 CG ASP A 53 8.221 -0.719 3.645 1.00 41.21 C ATOM 859 OD1 ASP A 53 8.605 -1.002 2.486 1.00 2.34 O ATOM 860 OD2 ASP A 53 8.810 0.161 4.323 1.00 74.02 O1- ATOM 0 H ASP A 53 5.425 -0.527 2.754 1.00 15.43 H new ATOM 0 HA ASP A 53 6.929 -2.900 2.687 1.00 23.03 H new ATOM 0 HB2 ASP A 53 6.394 -0.780 4.776 1.00 51.04 H new ATOM 0 HB3 ASP A 53 7.455 -2.145 5.060 1.00 51.04 H new ATOM 865 N HIS A 54 4.363 -2.881 4.864 1.00 4.14 N ATOM 866 CA HIS A 54 3.509 -3.807 5.612 1.00 61.14 C ATOM 867 C HIS A 54 2.658 -4.685 4.683 1.00 71.00 C ATOM 868 O HIS A 54 2.401 -5.841 5.023 1.00 13.33 O ATOM 869 CB HIS A 54 2.615 -3.078 6.622 1.00 31.12 C ATOM 870 CG HIS A 54 3.343 -2.543 7.834 1.00 71.42 C ATOM 871 ND1 HIS A 54 3.962 -3.265 8.831 1.00 41.41 N ATOM 872 CD2 HIS A 54 3.444 -1.230 8.174 1.00 41.53 C ATOM 873 CE1 HIS A 54 4.415 -2.396 9.752 1.00 33.05 C ATOM 874 NE2 HIS A 54 4.129 -1.133 9.390 1.00 52.53 N ATOM 0 H HIS A 54 4.163 -1.894 5.023 1.00 4.14 H new ATOM 0 HA HIS A 54 4.183 -4.459 6.168 1.00 61.14 H new ATOM 0 HB2 HIS A 54 2.119 -2.249 6.117 1.00 31.12 H new ATOM 0 HB3 HIS A 54 1.834 -3.761 6.956 1.00 31.12 H new ATOM 0 HD2 HIS A 54 3.059 -0.400 7.600 1.00 41.53 H new ATOM 0 HE1 HIS A 54 4.936 -2.674 10.656 1.00 33.05 H new ATOM 0 HE2 HIS A 54 4.363 -0.280 9.898 1.00 52.53 H new ATOM 882 N ILE A 55 2.234 -4.179 3.518 1.00 14.30 N ATOM 883 CA ILE A 55 1.595 -4.997 2.489 1.00 11.25 C ATOM 884 C ILE A 55 2.564 -6.112 2.097 1.00 40.53 C ATOM 885 O ILE A 55 2.184 -7.280 2.156 1.00 21.05 O ATOM 886 CB ILE A 55 1.115 -4.146 1.292 1.00 51.10 C ATOM 887 CG1 ILE A 55 -0.084 -3.265 1.698 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.692 -4.998 0.083 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.622 -2.347 0.600 1.00 63.25 C ATOM 0 H ILE A 55 2.325 -3.195 3.266 1.00 14.30 H new ATOM 0 HA ILE A 55 0.685 -5.453 2.880 1.00 11.25 H new ATOM 0 HB ILE A 55 1.968 -3.533 1.002 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.893 -3.914 2.035 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.209 -2.652 2.550 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.365 -4.345 -0.726 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.538 -5.597 -0.254 1.00 13.04 H new ATOM 0 HG23 ILE A 55 -0.127 -5.657 0.371 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.463 -1.771 0.987 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.166 -1.667 0.276 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.953 -2.948 -0.247 1.00 63.25 H new ATOM 901 N THR A 56 3.800 -5.779 1.716 1.00 5.22 N ATOM 902 CA THR A 56 4.774 -6.781 1.301 1.00 13.14 C ATOM 903 C THR A 56 4.997 -7.817 2.411 1.00 44.41 C ATOM 904 O THR A 56 5.121 -9.007 2.119 1.00 3.10 O ATOM 905 CB THR A 56 6.098 -6.105 0.899 1.00 23.42 C ATOM 906 OG1 THR A 56 5.882 -5.135 -0.112 1.00 70.12 O ATOM 907 CG2 THR A 56 7.102 -7.100 0.318 1.00 44.22 C ATOM 0 H THR A 56 4.146 -4.820 1.688 1.00 5.22 H new ATOM 0 HA THR A 56 4.381 -7.307 0.431 1.00 13.14 H new ATOM 0 HB THR A 56 6.488 -5.659 1.814 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.696 -4.267 0.302 1.00 70.12 H new ATOM 0 HG21 THR A 56 8.019 -6.576 0.050 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.326 -7.867 1.060 1.00 44.22 H new ATOM 0 HG23 THR A 56 6.678 -7.568 -0.571 1.00 44.22 H new ATOM 915 N GLU A 57 5.039 -7.373 3.667 1.00 33.02 N ATOM 916 CA GLU A 57 5.302 -8.224 4.813 1.00 24.11 C ATOM 917 C GLU A 57 4.172 -9.220 5.026 1.00 32.24 C ATOM 918 O GLU A 57 4.423 -10.330 5.500 1.00 3.40 O ATOM 919 CB GLU A 57 5.562 -7.369 6.065 1.00 61.11 C ATOM 920 CG GLU A 57 7.024 -6.890 6.096 1.00 73.54 C ATOM 921 CD GLU A 57 8.024 -8.041 6.201 1.00 61.31 C ATOM 922 OE1 GLU A 57 7.772 -9.001 6.973 1.00 10.24 O1- ATOM 923 OE2 GLU A 57 9.038 -8.037 5.481 1.00 1.40 O ATOM 0 H GLU A 57 4.888 -6.395 3.914 1.00 33.02 H new ATOM 0 HA GLU A 57 6.203 -8.806 4.617 1.00 24.11 H new ATOM 0 HB2 GLU A 57 4.891 -6.510 6.072 1.00 61.11 H new ATOM 0 HB3 GLU A 57 5.344 -7.950 6.961 1.00 61.11 H new ATOM 0 HG2 GLU A 57 7.232 -6.316 5.193 1.00 73.54 H new ATOM 0 HG3 GLU A 57 7.163 -6.216 6.942 1.00 73.54 H new ATOM 930 N CYS A 58 2.950 -8.858 4.640 1.00 11.34 N ATOM 931 CA CYS A 58 1.844 -9.791 4.567 1.00 0.31 C ATOM 932 C CYS A 58 2.079 -10.783 3.428 1.00 73.23 C ATOM 933 O CYS A 58 2.094 -11.988 3.638 1.00 13.34 O ATOM 934 CB CYS A 58 0.540 -9.017 4.361 1.00 31.54 C ATOM 935 SG CYS A 58 0.178 -8.015 5.829 1.00 43.24 S ATOM 0 H CYS A 58 2.706 -7.905 4.370 1.00 11.34 H new ATOM 0 HA CYS A 58 1.771 -10.353 5.498 1.00 0.31 H new ATOM 0 HB2 CYS A 58 0.622 -8.376 3.484 1.00 31.54 H new ATOM 0 HB3 CYS A 58 -0.279 -9.711 4.173 1.00 31.54 H new ATOM 0 HG CYS A 58 0.950 -6.969 5.841 1.00 43.24 H new ATOM 941 N LEU A 59 2.225 -10.314 2.192 1.00 64.12 N ATOM 942 CA LEU A 59 2.178 -11.208 1.038 1.00 53.20 C ATOM 943 C LEU A 59 3.402 -12.115 0.936 1.00 72.32 C ATOM 944 O LEU A 59 3.280 -13.159 0.292 1.00 72.00 O ATOM 945 CB LEU A 59 2.028 -10.451 -0.285 1.00 14.43 C ATOM 946 CG LEU A 59 0.727 -9.675 -0.550 1.00 53.24 C ATOM 947 CD1 LEU A 59 -0.403 -9.855 0.462 1.00 71.42 C ATOM 948 CD2 LEU A 59 1.021 -8.197 -0.771 1.00 3.53 C ATOM 0 H LEU A 59 2.375 -9.331 1.964 1.00 64.12 H new ATOM 0 HA LEU A 59 1.294 -11.823 1.207 1.00 53.20 H new ATOM 0 HB2 LEU A 59 2.855 -9.744 -0.357 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.154 -11.171 -1.094 1.00 14.43 H new ATOM 0 HG LEU A 59 0.333 -10.133 -1.457 1.00 53.24 H new ATOM 0 HD11 LEU A 59 -1.261 -9.255 0.159 1.00 71.42 H new ATOM 0 HD12 LEU A 59 -0.691 -10.906 0.503 1.00 71.42 H new ATOM 0 HD13 LEU A 59 -0.064 -9.533 1.447 1.00 71.42 H new ATOM 0 HD21 LEU A 59 0.088 -7.664 -0.957 1.00 3.53 H new ATOM 0 HD22 LEU A 59 1.503 -7.785 0.116 1.00 3.53 H new ATOM 0 HD23 LEU A 59 1.682 -8.082 -1.630 1.00 3.53 H new ATOM 960 N LYS A 60 4.571 -11.787 1.513 1.00 42.43 N ATOM 961 CA LYS A 60 5.669 -12.763 1.525 1.00 35.12 C ATOM 962 C LYS A 60 5.320 -13.984 2.374 1.00 40.54 C ATOM 963 O LYS A 60 6.002 -15.004 2.268 1.00 41.41 O ATOM 964 CB LYS A 60 6.970 -12.109 2.016 1.00 54.12 C ATOM 965 CG LYS A 60 6.914 -11.885 3.533 1.00 34.15 C ATOM 966 CD LYS A 60 7.789 -10.747 4.016 1.00 11.14 C ATOM 967 CE LYS A 60 9.286 -11.071 4.107 1.00 52.11 C ATOM 968 NZ LYS A 60 9.839 -10.664 5.421 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.774 -10.892 1.959 1.00 42.43 H new ATOM 0 HA LYS A 60 5.822 -13.106 0.502 1.00 35.12 H new ATOM 0 HB2 LYS A 60 7.821 -12.743 1.766 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.122 -11.157 1.506 1.00 54.12 H new ATOM 0 HG2 LYS A 60 5.882 -11.686 3.824 1.00 34.15 H new ATOM 0 HG3 LYS A 60 7.216 -12.803 4.038 1.00 34.15 H new ATOM 0 HD2 LYS A 60 7.657 -9.898 3.346 1.00 11.14 H new ATOM 0 HD3 LYS A 60 7.440 -10.433 5.000 1.00 11.14 H new ATOM 0 HE2 LYS A 60 9.440 -12.140 3.959 1.00 52.11 H new ATOM 0 HE3 LYS A 60 9.822 -10.558 3.308 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 10.840 -10.940 5.477 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 9.757 -9.633 5.528 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 9.308 -11.134 6.182 1.00 72.35 H new ATOM 982 N GLU A 61 4.307 -13.883 3.236 1.00 54.21 N ATOM 983 CA GLU A 61 3.894 -14.966 4.096 1.00 54.40 C ATOM 984 C GLU A 61 3.448 -16.133 3.240 1.00 62.01 C ATOM 985 O GLU A 61 3.825 -17.273 3.526 1.00 3.42 O ATOM 986 CB GLU A 61 2.753 -14.493 4.995 1.00 64.41 C ATOM 987 CG GLU A 61 2.589 -15.404 6.205 1.00 21.14 C ATOM 988 CD GLU A 61 1.430 -15.001 7.123 1.00 34.24 C ATOM 989 OE1 GLU A 61 0.806 -13.932 6.906 1.00 63.12 O1- ATOM 990 OE2 GLU A 61 1.123 -15.782 8.048 1.00 3.14 O ATOM 0 H GLU A 61 3.752 -13.035 3.349 1.00 54.21 H new ATOM 0 HA GLU A 61 4.725 -15.284 4.726 1.00 54.40 H new ATOM 0 HB2 GLU A 61 2.948 -13.474 5.328 1.00 64.41 H new ATOM 0 HB3 GLU A 61 1.824 -14.470 4.426 1.00 64.41 H new ATOM 0 HG2 GLU A 61 2.431 -16.426 5.861 1.00 21.14 H new ATOM 0 HG3 GLU A 61 3.515 -15.401 6.780 1.00 21.14 H new ATOM 997 N TYR A 62 2.676 -15.854 2.184 1.00 60.23 N ATOM 998 CA TYR A 62 2.186 -16.944 1.364 1.00 13.04 C ATOM 999 C TYR A 62 3.321 -17.518 0.532 1.00 13.02 C ATOM 1000 O TYR A 62 4.191 -16.789 0.034 1.00 51.53 O ATOM 1001 CB TYR A 62 1.019 -16.547 0.466 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.073 -15.810 1.192 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -0.941 -16.531 2.027 1.00 33.43 C ATOM 1004 CD2 TYR A 62 -0.187 -14.416 1.066 1.00 21.24 C ATOM 1005 CE1 TYR A 62 -1.953 -15.864 2.720 1.00 41.42 C ATOM 1006 CE2 TYR A 62 -1.176 -13.734 1.792 1.00 62.34 C ATOM 1007 CZ TYR A 62 -2.069 -14.464 2.609 1.00 11.34 C ATOM 1008 OH TYR A 62 -3.085 -13.843 3.252 1.00 10.34 O ATOM 0 H TYR A 62 2.391 -14.919 1.893 1.00 60.23 H new ATOM 0 HA TYR A 62 1.804 -17.703 2.046 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.392 -15.921 -0.345 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.600 -17.444 0.010 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.826 -17.600 2.133 1.00 33.43 H new ATOM 0 HD2 TYR A 62 0.482 -13.872 0.415 1.00 21.24 H new ATOM 0 HE1 TYR A 62 -2.644 -16.418 3.338 1.00 41.42 H new ATOM 0 HE2 TYR A 62 -1.254 -12.659 1.727 1.00 62.34 H new ATOM 0 HH TYR A 62 -3.878 -13.832 2.677 1.00 10.34 H new ATOM 1018 N THR A 63 3.268 -18.830 0.343 1.00 43.11 N ATOM 1019 CA THR A 63 4.173 -19.548 -0.531 1.00 35.33 C ATOM 1020 C THR A 63 3.545 -19.655 -1.926 1.00 12.01 C ATOM 1021 O THR A 63 4.245 -19.497 -2.927 1.00 41.13 O ATOM 1022 CB THR A 63 4.542 -20.903 0.111 1.00 2.33 C ATOM 1023 OG1 THR A 63 3.449 -21.787 0.197 1.00 32.45 O ATOM 1024 CG2 THR A 63 5.062 -20.732 1.547 1.00 31.03 C ATOM 0 H THR A 63 2.583 -19.430 0.802 1.00 43.11 H new ATOM 0 HA THR A 63 5.114 -19.014 -0.661 1.00 35.33 H new ATOM 0 HB THR A 63 5.309 -21.312 -0.546 1.00 2.33 H new ATOM 0 HG1 THR A 63 3.740 -22.627 0.609 1.00 32.45 H new ATOM 0 HG21 THR A 63 5.310 -21.709 1.963 1.00 31.03 H new ATOM 0 HG22 THR A 63 5.953 -20.104 1.539 1.00 31.03 H new ATOM 0 HG23 THR A 63 4.292 -20.262 2.159 1.00 31.03 H new ATOM 1032 N ASN A 64 2.230 -19.910 -2.007 1.00 22.12 N ATOM 1033 CA ASN A 64 1.603 -20.348 -3.252 1.00 20.34 C ATOM 1034 C ASN A 64 1.396 -19.198 -4.240 1.00 62.22 C ATOM 1035 O ASN A 64 1.044 -18.097 -3.812 1.00 24.00 O ATOM 1036 CB ASN A 64 0.279 -21.087 -2.963 1.00 73.21 C ATOM 1037 CG ASN A 64 0.344 -22.469 -3.592 1.00 21.22 C ATOM 1038 OD1 ASN A 64 1.320 -23.182 -3.382 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -0.628 -22.878 -4.385 1.00 53.22 N ATOM 0 H ASN A 64 1.585 -19.819 -1.222 1.00 22.12 H new ATOM 0 HA ASN A 64 2.290 -21.045 -3.731 1.00 20.34 H new ATOM 0 HB2 ASN A 64 0.119 -21.168 -1.888 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -0.563 -20.526 -3.369 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -0.572 -23.794 -4.830 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -1.435 -22.278 -4.553 1.00 53.22 H new ATOM 1046 N PRO A 65 1.529 -19.437 -5.561 1.00 2.25 N ATOM 1047 CA PRO A 65 1.528 -18.373 -6.557 1.00 15.53 C ATOM 1048 C PRO A 65 0.148 -17.727 -6.692 1.00 14.03 C ATOM 1049 O PRO A 65 0.061 -16.510 -6.849 1.00 64.50 O ATOM 1050 CB PRO A 65 2.002 -19.008 -7.863 1.00 31.12 C ATOM 1051 CG PRO A 65 1.666 -20.485 -7.699 1.00 31.01 C ATOM 1052 CD PRO A 65 1.724 -20.731 -6.199 1.00 54.11 C ATOM 0 HA PRO A 65 2.193 -17.560 -6.265 1.00 15.53 H new ATOM 0 HB2 PRO A 65 1.493 -18.576 -8.724 1.00 31.12 H new ATOM 0 HB3 PRO A 65 3.071 -18.856 -8.016 1.00 31.12 H new ATOM 0 HG2 PRO A 65 0.678 -20.713 -8.100 1.00 31.01 H new ATOM 0 HG3 PRO A 65 2.379 -21.115 -8.231 1.00 31.01 H new ATOM 0 HD2 PRO A 65 0.952 -21.436 -5.891 1.00 54.11 H new ATOM 0 HD3 PRO A 65 2.683 -21.164 -5.913 1.00 54.11 H new ATOM 1060 N GLU A 66 -0.928 -18.515 -6.594 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.285 -17.979 -6.609 1.00 32.01 C ATOM 1062 C GLU A 66 -2.456 -17.001 -5.455 1.00 34.31 C ATOM 1063 O GLU A 66 -2.980 -15.913 -5.644 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.342 -19.088 -6.493 1.00 33.45 C ATOM 1065 CG GLU A 66 -3.345 -20.094 -7.650 1.00 24.12 C ATOM 1066 CD GLU A 66 -3.651 -19.447 -9.005 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -2.757 -18.795 -9.593 1.00 0.13 O ATOM 1068 OE2 GLU A 66 -4.763 -19.670 -9.539 1.00 45.54 O1- ATOM 0 H GLU A 66 -0.880 -19.530 -6.503 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.432 -17.474 -7.564 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -3.181 -19.628 -5.560 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -4.327 -18.627 -6.428 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -2.373 -20.585 -7.699 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -4.084 -20.869 -7.448 1.00 24.12 H new ATOM 1075 N GLN A 67 -1.992 -17.366 -4.262 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.209 -16.595 -3.063 1.00 44.41 C ATOM 1077 C GLN A 67 -1.396 -15.315 -3.076 1.00 71.14 C ATOM 1078 O GLN A 67 -1.980 -14.262 -2.839 1.00 63.51 O ATOM 1079 CB GLN A 67 -1.875 -17.468 -1.857 1.00 53.35 C ATOM 1080 CG GLN A 67 -3.165 -18.010 -1.237 1.00 13.40 C ATOM 1081 CD GLN A 67 -2.909 -19.344 -0.572 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -3.539 -20.341 -0.922 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -1.978 -19.385 0.358 1.00 3.24 N ATOM 0 H GLN A 67 -1.450 -18.217 -4.110 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.254 -16.292 -3.006 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.232 -18.294 -2.161 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -1.321 -16.888 -1.119 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -3.551 -17.300 -0.506 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -3.928 -18.121 -2.007 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -1.479 -18.534 0.618 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -1.755 -20.268 0.818 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.090 -15.370 -3.356 1.00 1.22 N ATOM 1093 CA ILE A 68 0.700 -14.146 -3.467 1.00 12.50 C ATOM 1094 C ILE A 68 0.065 -13.224 -4.523 1.00 71.12 C ATOM 1095 O ILE A 68 -0.087 -12.037 -4.261 1.00 55.41 O ATOM 1096 CB ILE A 68 2.208 -14.423 -3.689 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.532 -15.249 -4.940 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.805 -15.164 -2.488 1.00 13.44 C ATOM 1099 CD1 ILE A 68 2.785 -14.414 -6.196 1.00 33.44 C ATOM 0 H ILE A 68 0.432 -16.233 -3.507 1.00 1.22 H new ATOM 0 HA ILE A 68 0.675 -13.618 -2.514 1.00 12.50 H new ATOM 0 HB ILE A 68 2.645 -13.433 -3.820 1.00 33.42 H new ATOM 0 HG12 ILE A 68 3.412 -15.860 -4.740 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.706 -15.934 -5.133 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.865 -15.349 -2.664 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.687 -14.557 -1.591 1.00 13.44 H new ATOM 0 HG23 ILE A 68 2.289 -16.114 -2.354 1.00 13.44 H new ATOM 0 HD11 ILE A 68 3.007 -15.075 -7.034 1.00 33.44 H new ATOM 0 HD12 ILE A 68 1.898 -13.823 -6.425 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.631 -13.748 -6.026 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.368 -13.746 -5.681 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.952 -12.962 -6.774 1.00 12.30 C ATOM 1113 C LYS A 69 -2.297 -12.353 -6.365 1.00 53.31 C ATOM 1114 O LYS A 69 -2.513 -11.156 -6.556 1.00 62.25 O ATOM 1115 CB LYS A 69 -1.072 -13.889 -7.992 1.00 34.45 C ATOM 1116 CG LYS A 69 -1.574 -13.244 -9.292 1.00 41.45 C ATOM 1117 CD LYS A 69 -1.604 -14.258 -10.455 1.00 30.22 C ATOM 1118 CE LYS A 69 -2.435 -15.514 -10.131 1.00 41.34 C ATOM 1119 NZ LYS A 69 -2.319 -16.566 -11.163 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.320 -14.744 -5.885 1.00 64.12 H new ATOM 0 HA LYS A 69 -0.314 -12.115 -7.025 1.00 12.30 H new ATOM 0 HB2 LYS A 69 -0.094 -14.329 -8.184 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.745 -14.707 -7.734 1.00 34.45 H new ATOM 0 HG2 LYS A 69 -2.574 -12.839 -9.135 1.00 41.45 H new ATOM 0 HG3 LYS A 69 -0.929 -12.406 -9.556 1.00 41.45 H new ATOM 0 HD2 LYS A 69 -2.015 -13.775 -11.342 1.00 30.22 H new ATOM 0 HD3 LYS A 69 -0.584 -14.556 -10.698 1.00 30.22 H new ATOM 0 HE2 LYS A 69 -2.114 -15.918 -9.171 1.00 41.34 H new ATOM 0 HE3 LYS A 69 -3.482 -15.232 -10.024 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 -2.468 -17.498 -10.727 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 -3.036 -16.410 -11.900 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 -1.371 -16.531 -11.589 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.192 -13.154 -5.795 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.511 -12.719 -5.380 1.00 72.22 C ATOM 1135 C GLN A 70 -4.404 -11.726 -4.229 1.00 73.44 C ATOM 1136 O GLN A 70 -4.981 -10.646 -4.294 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.376 -13.916 -5.001 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.857 -13.505 -5.102 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.739 -14.293 -4.157 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -8.688 -14.960 -4.548 1.00 54.22 O ATOM 1141 NE2 GLN A 70 -7.460 -14.207 -2.869 1.00 61.54 N ATOM 0 H GLN A 70 -3.013 -14.140 -5.608 1.00 15.42 H new ATOM 0 HA GLN A 70 -4.993 -12.213 -6.217 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.171 -14.756 -5.664 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -5.143 -14.245 -3.988 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -6.952 -12.442 -4.882 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -7.203 -13.651 -6.125 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -6.667 -13.648 -2.555 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -8.038 -14.700 -2.188 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.702 -12.079 -3.151 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.618 -11.235 -1.979 1.00 1.41 C ATOM 1152 C TRP A 71 -2.854 -9.954 -2.268 1.00 43.13 C ATOM 1153 O TRP A 71 -3.253 -8.922 -1.731 1.00 3.23 O ATOM 1154 CB TRP A 71 -3.006 -11.982 -0.805 1.00 34.40 C ATOM 1155 CG TRP A 71 -3.930 -12.960 -0.161 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.766 -14.297 -0.075 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -5.106 -12.644 0.628 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.748 -14.827 0.741 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.585 -13.841 1.231 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.762 -11.437 0.949 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.643 -13.826 2.153 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -6.846 -11.416 1.838 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.280 -12.606 2.451 1.00 10.30 C ATOM 0 H TRP A 71 -3.182 -12.953 -3.075 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.636 -10.957 -1.705 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -2.116 -12.510 -1.147 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.680 -11.259 -0.057 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -2.989 -14.864 -0.567 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -4.843 -15.820 0.955 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.424 -10.514 0.502 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -6.965 -14.740 2.629 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.349 -10.485 2.053 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.102 -12.584 3.151 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.815 -9.981 -3.121 1.00 1.43 N ATOM 1175 CA ARG A 72 -1.102 -8.735 -3.419 1.00 44.24 C ATOM 1176 C ARG A 72 -2.063 -7.746 -4.063 1.00 25.40 C ATOM 1177 O ARG A 72 -2.136 -6.595 -3.640 1.00 72.43 O ATOM 1178 CB ARG A 72 0.231 -8.912 -4.178 1.00 20.22 C ATOM 1179 CG ARG A 72 0.139 -9.293 -5.656 1.00 24.51 C ATOM 1180 CD ARG A 72 1.509 -9.716 -6.208 1.00 4.10 C ATOM 1181 NE ARG A 72 1.425 -10.165 -7.612 1.00 14.41 N ATOM 1182 CZ ARG A 72 1.193 -9.369 -8.663 1.00 35.32 C ATOM 1183 NH1 ARG A 72 1.139 -8.052 -8.508 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 0.989 -9.883 -9.868 1.00 74.24 N ATOM 0 H ARG A 72 -1.465 -10.813 -3.596 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.763 -8.316 -2.472 1.00 44.24 H new ATOM 0 HB2 ARG A 72 0.791 -7.980 -4.102 1.00 20.22 H new ATOM 0 HB3 ARG A 72 0.814 -9.677 -3.666 1.00 20.22 H new ATOM 0 HG2 ARG A 72 -0.573 -10.109 -5.780 1.00 24.51 H new ATOM 0 HG3 ARG A 72 -0.241 -8.447 -6.229 1.00 24.51 H new ATOM 0 HD2 ARG A 72 2.203 -8.879 -6.136 1.00 4.10 H new ATOM 0 HD3 ARG A 72 1.915 -10.520 -5.594 1.00 4.10 H new ATOM 0 HE ARG A 72 1.554 -11.160 -7.796 1.00 14.41 H new ATOM 0 HH11 ARG A 72 1.275 -7.641 -7.584 1.00 54.04 H new ATOM 0 HH12 ARG A 72 0.962 -7.451 -9.313 1.00 54.04 H new ATOM 0 HH21 ARG A 72 1.008 -10.894 -10.001 1.00 74.24 H new ATOM 0 HH22 ARG A 72 0.813 -9.267 -10.662 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.864 -8.217 -5.023 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.962 -7.442 -5.581 1.00 2.53 C ATOM 1200 C LYS A 73 -4.912 -7.015 -4.470 1.00 1.23 C ATOM 1201 O LYS A 73 -5.157 -5.824 -4.337 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.692 -8.234 -6.676 1.00 34.23 C ATOM 1203 CG LYS A 73 -4.103 -7.938 -8.059 1.00 63.11 C ATOM 1204 CD LYS A 73 -4.811 -8.772 -9.134 1.00 42.23 C ATOM 1205 CE LYS A 73 -4.774 -8.039 -10.477 1.00 22.32 C ATOM 1206 NZ LYS A 73 -5.485 -8.786 -11.530 1.00 41.12 N1+ ATOM 0 H LYS A 73 -2.765 -9.146 -5.431 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.559 -6.544 -6.049 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -4.618 -9.301 -6.467 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -5.752 -7.980 -6.667 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -4.208 -6.877 -8.286 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -3.036 -8.161 -8.062 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -4.327 -9.744 -9.228 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -5.844 -8.957 -8.840 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -5.224 -7.053 -10.365 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -3.738 -7.884 -10.778 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -5.437 -8.257 -12.424 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -5.040 -9.718 -11.655 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -6.480 -8.912 -11.255 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.458 -7.947 -3.686 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.514 -7.657 -2.723 1.00 31.13 C ATOM 1222 C ASN A 74 -6.099 -6.548 -1.755 1.00 50.53 C ATOM 1223 O ASN A 74 -6.902 -5.659 -1.498 1.00 74.44 O ATOM 1224 CB ASN A 74 -6.919 -8.901 -1.917 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.601 -10.009 -2.715 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -7.537 -11.234 -2.215 1.00 63.22 O flip ATOM 1227 ND2 ASN A 74 -8.229 -9.789 -3.750 1.00 4.44 N flip ATOM 0 H ASN A 74 -5.177 -8.927 -3.704 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.373 -7.325 -3.306 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -6.027 -9.313 -1.446 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.588 -8.590 -1.115 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -8.273 -8.843 -4.128 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -8.705 -10.553 -4.230 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.884 -6.589 -1.199 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.404 -5.562 -0.271 1.00 4.53 C ATOM 1236 C LEU A 75 -4.234 -4.216 -0.982 1.00 24.52 C ATOM 1237 O LEU A 75 -4.709 -3.204 -0.470 1.00 41.55 O ATOM 1238 CB LEU A 75 -3.109 -5.998 0.439 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.368 -6.730 1.775 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -4.104 -8.065 1.599 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -2.046 -6.984 2.504 1.00 54.21 C ATOM 0 H LEU A 75 -4.209 -7.332 -1.379 1.00 65.10 H new ATOM 0 HA LEU A 75 -5.162 -5.434 0.502 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.541 -6.652 -0.223 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.491 -5.120 0.626 1.00 10.04 H new ATOM 0 HG LEU A 75 -4.011 -6.074 2.362 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -4.255 -8.529 2.574 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -5.071 -7.888 1.128 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -3.510 -8.728 0.970 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -2.242 -7.500 3.444 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -1.399 -7.600 1.880 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -1.555 -6.033 2.708 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.606 -4.183 -2.161 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.510 -2.953 -2.931 1.00 2.42 C ATOM 1255 C TRP A 76 -4.892 -2.373 -3.265 1.00 30.11 C ATOM 1256 O TRP A 76 -5.077 -1.166 -3.156 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.644 -3.187 -4.179 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.167 -3.115 -3.921 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.251 -4.097 -4.071 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.419 -1.953 -3.470 1.00 74.43 C ATOM 1261 NE1 TRP A 76 0.999 -3.626 -3.710 1.00 61.30 N ATOM 1262 CE2 TRP A 76 0.958 -2.294 -3.357 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.788 -0.637 -3.144 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 1.927 -1.358 -2.956 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 0.166 0.303 -2.715 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.518 -0.058 -2.614 1.00 33.11 C ATOM 0 H TRP A 76 -3.161 -4.992 -2.596 1.00 13.51 H new ATOM 0 HA TRP A 76 -3.018 -2.196 -2.320 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -2.882 -4.166 -4.595 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -2.907 -2.447 -4.935 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.462 -5.097 -4.420 1.00 3.24 H new ATOM 0 HE1 TRP A 76 1.846 -4.194 -3.706 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -1.824 -0.342 -3.224 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 2.970 -1.634 -2.911 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.143 1.306 -2.462 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.245 0.664 -2.273 1.00 33.11 H new ATOM 1277 N ILE A 77 -5.867 -3.206 -3.639 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.242 -2.796 -3.932 1.00 32.02 C ATOM 1279 C ILE A 77 -7.893 -2.255 -2.663 1.00 35.11 C ATOM 1280 O ILE A 77 -8.559 -1.225 -2.717 1.00 41.01 O ATOM 1281 CB ILE A 77 -8.039 -3.977 -4.540 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.460 -4.282 -5.936 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.549 -3.680 -4.638 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -7.932 -5.604 -6.551 1.00 32.44 C ATOM 0 H ILE A 77 -5.718 -4.209 -3.749 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.239 -1.998 -4.674 1.00 32.02 H new ATOM 0 HB ILE A 77 -7.937 -4.840 -3.883 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -7.726 -3.468 -6.610 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.372 -4.297 -5.868 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -10.062 -4.539 -5.071 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -9.947 -3.484 -3.642 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.708 -2.807 -5.271 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.474 -5.733 -7.531 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.642 -6.431 -5.903 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -9.017 -5.589 -6.657 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.707 -2.943 -1.537 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.237 -2.525 -0.243 1.00 71.52 C ATOM 1298 C PHE A 78 -7.850 -1.081 0.050 1.00 63.24 C ATOM 1299 O PHE A 78 -8.717 -0.263 0.357 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.730 -3.441 0.881 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.176 -3.007 2.262 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.543 -3.041 2.598 1.00 64.41 C ATOM 1303 CD2 PHE A 78 -7.225 -2.598 3.218 1.00 11.10 C ATOM 1304 CE1 PHE A 78 -9.969 -2.640 3.874 1.00 14.45 C ATOM 1305 CE2 PHE A 78 -7.667 -2.154 4.476 1.00 12.10 C ATOM 1306 CZ PHE A 78 -9.035 -2.155 4.800 1.00 25.55 C ATOM 0 H PHE A 78 -7.179 -3.815 -1.499 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.324 -2.600 -0.286 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.081 -4.457 0.697 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.641 -3.470 0.852 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.267 -3.377 1.871 1.00 64.41 H new ATOM 0 HD2 PHE A 78 -6.170 -2.625 2.987 1.00 11.10 H new ATOM 0 HE1 PHE A 78 -11.013 -2.705 4.142 1.00 14.45 H new ATOM 0 HE2 PHE A 78 -6.947 -1.808 5.203 1.00 12.10 H new ATOM 0 HZ PHE A 78 -9.365 -1.783 5.759 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.550 -0.795 -0.032 1.00 42.13 N ATOM 1317 CA VAL A 79 -6.053 0.535 0.275 1.00 72.11 C ATOM 1318 C VAL A 79 -6.530 1.530 -0.789 1.00 63.14 C ATOM 1319 O VAL A 79 -6.935 2.632 -0.434 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.523 0.541 0.447 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -4.023 1.950 0.801 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -4.122 -0.407 1.591 1.00 22.13 C ATOM 0 H VAL A 79 -5.832 -1.465 -0.307 1.00 42.13 H new ATOM 0 HA VAL A 79 -6.464 0.852 1.233 1.00 72.11 H new ATOM 0 HB VAL A 79 -4.078 0.217 -0.494 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.939 1.933 0.918 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -4.291 2.642 0.003 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -4.484 2.276 1.734 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -3.038 -0.398 1.708 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.590 -0.076 2.518 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.454 -1.419 1.358 1.00 22.13 H new ATOM 1332 N SER A 80 -6.545 1.127 -2.065 1.00 34.12 N ATOM 1333 CA SER A 80 -6.971 1.930 -3.208 1.00 61.41 C ATOM 1334 C SER A 80 -8.415 2.442 -3.102 1.00 21.53 C ATOM 1335 O SER A 80 -8.796 3.291 -3.909 1.00 43.34 O ATOM 1336 CB SER A 80 -6.784 1.075 -4.467 1.00 54.34 C ATOM 1337 OG SER A 80 -7.113 1.739 -5.667 1.00 43.03 O ATOM 0 H SER A 80 -6.247 0.190 -2.337 1.00 34.12 H new ATOM 0 HA SER A 80 -6.358 2.831 -3.244 1.00 61.41 H new ATOM 0 HB2 SER A 80 -5.746 0.746 -4.519 1.00 54.34 H new ATOM 0 HB3 SER A 80 -7.399 0.179 -4.380 1.00 54.34 H new ATOM 0 HG SER A 80 -7.660 2.527 -5.466 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.246 1.934 -2.189 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.551 2.530 -1.910 1.00 53.15 C ATOM 1345 C LYS A 81 -10.337 3.817 -1.123 1.00 44.31 C ATOM 1346 O LYS A 81 -10.790 4.881 -1.529 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.422 1.538 -1.132 1.00 41.41 C ATOM 1348 CG LYS A 81 -11.683 0.262 -1.946 1.00 35.41 C ATOM 1349 CD LYS A 81 -12.334 -0.832 -1.098 1.00 70.23 C ATOM 1350 CE LYS A 81 -13.706 -0.421 -0.534 1.00 21.01 C ATOM 1351 NZ LYS A 81 -14.781 -0.404 -1.554 1.00 70.41 N1+ ATOM 0 H LYS A 81 -9.035 1.108 -1.629 1.00 14.35 H new ATOM 0 HA LYS A 81 -11.070 2.765 -2.840 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.931 1.279 -0.194 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -12.371 2.008 -0.876 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -12.328 0.497 -2.793 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -10.742 -0.107 -2.355 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -12.451 -1.731 -1.703 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -11.670 -1.087 -0.272 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -13.983 -1.110 0.264 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -13.625 0.569 -0.086 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -15.677 -0.120 -1.109 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -14.537 0.273 -2.305 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -14.885 -1.354 -1.965 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.627 3.713 -0.005 1.00 71.53 N ATOM 1366 CA PHE A 82 -9.195 4.772 0.892 1.00 3.11 C ATOM 1367 C PHE A 82 -8.105 5.676 0.303 1.00 61.04 C ATOM 1368 O PHE A 82 -7.254 6.152 1.054 1.00 45.15 O ATOM 1369 CB PHE A 82 -8.683 4.086 2.165 1.00 72.45 C ATOM 1370 CG PHE A 82 -9.773 3.691 3.127 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -10.522 2.523 2.928 1.00 43.53 C ATOM 1372 CD2 PHE A 82 -10.069 4.548 4.199 1.00 61.03 C ATOM 1373 CE1 PHE A 82 -11.606 2.243 3.772 1.00 11.10 C ATOM 1374 CE2 PHE A 82 -11.130 4.257 5.064 1.00 43.31 C ATOM 1375 CZ PHE A 82 -11.918 3.113 4.838 1.00 61.24 C ATOM 0 H PHE A 82 -9.312 2.800 0.324 1.00 71.53 H new ATOM 0 HA PHE A 82 -10.039 5.434 1.085 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -8.119 3.196 1.885 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.989 4.756 2.673 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -10.266 1.843 2.129 1.00 43.53 H new ATOM 0 HD2 PHE A 82 -9.475 5.436 4.357 1.00 61.03 H new ATOM 0 HE1 PHE A 82 -12.204 1.359 3.606 1.00 11.10 H new ATOM 0 HE2 PHE A 82 -11.343 4.907 5.900 1.00 43.31 H new ATOM 0 HZ PHE A 82 -12.760 2.901 5.480 1.00 61.24 H new ATOM 1385 N THR A 83 -8.072 5.932 -1.000 1.00 61.12 N ATOM 1386 CA THR A 83 -7.266 7.013 -1.535 1.00 12.22 C ATOM 1387 C THR A 83 -7.803 7.370 -2.920 1.00 51.24 C ATOM 1388 O THR A 83 -8.716 6.738 -3.455 1.00 21.11 O ATOM 1389 CB THR A 83 -5.758 6.653 -1.490 1.00 21.14 C ATOM 1390 OG1 THR A 83 -4.921 7.689 -1.984 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.441 5.340 -2.205 1.00 21.44 C ATOM 0 H THR A 83 -8.594 5.405 -1.700 1.00 61.12 H new ATOM 0 HA THR A 83 -7.345 7.910 -0.921 1.00 12.22 H new ATOM 0 HB THR A 83 -5.538 6.525 -0.430 1.00 21.14 H new ATOM 0 HG1 THR A 83 -4.873 8.413 -1.325 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.371 5.140 -2.141 1.00 21.44 H new ATOM 0 HG22 THR A 83 -5.991 4.526 -1.733 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.734 5.416 -3.252 1.00 21.44 H new ATOM 1399 N GLU A 84 -7.215 8.414 -3.490 1.00 33.14 N ATOM 1400 CA GLU A 84 -7.480 8.910 -4.820 1.00 74.01 C ATOM 1401 C GLU A 84 -6.889 7.995 -5.893 1.00 43.32 C ATOM 1402 O GLU A 84 -7.394 7.987 -7.018 1.00 63.43 O ATOM 1403 CB GLU A 84 -6.853 10.309 -4.901 1.00 14.25 C ATOM 1404 CG GLU A 84 -7.829 11.400 -4.449 1.00 22.52 C ATOM 1405 CD GLU A 84 -8.693 11.839 -5.627 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -9.432 10.989 -6.181 1.00 15.35 O1- ATOM 1407 OE2 GLU A 84 -8.517 12.988 -6.088 1.00 3.33 O ATOM 0 H GLU A 84 -6.504 8.961 -3.005 1.00 33.14 H new ATOM 0 HA GLU A 84 -8.554 8.944 -5.003 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -5.958 10.342 -4.279 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -6.537 10.506 -5.925 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -8.460 11.025 -3.643 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -7.278 12.253 -4.052 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.826 7.258 -5.557 1.00 73.53 N ATOM 1415 CA PHE A 85 -4.956 6.591 -6.509 1.00 60.43 C ATOM 1416 C PHE A 85 -5.286 5.109 -6.619 1.00 31.05 C ATOM 1417 O PHE A 85 -5.233 4.389 -5.621 1.00 71.34 O ATOM 1418 CB PHE A 85 -3.491 6.825 -6.087 1.00 20.01 C ATOM 1419 CG PHE A 85 -2.960 8.238 -6.320 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -3.327 8.993 -7.455 1.00 44.43 C ATOM 1421 CD2 PHE A 85 -2.068 8.808 -5.393 1.00 1.42 C ATOM 1422 CE1 PHE A 85 -2.781 10.269 -7.677 1.00 63.20 C ATOM 1423 CE2 PHE A 85 -1.529 10.087 -5.607 1.00 70.20 C ATOM 1424 CZ PHE A 85 -1.868 10.810 -6.761 1.00 71.12 C ATOM 0 H PHE A 85 -5.546 7.110 -4.587 1.00 73.53 H new ATOM 0 HA PHE A 85 -5.111 7.011 -7.503 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.394 6.589 -5.027 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.858 6.123 -6.630 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -4.036 8.585 -8.161 1.00 44.43 H new ATOM 0 HD2 PHE A 85 -1.795 8.255 -4.506 1.00 1.42 H new ATOM 0 HE1 PHE A 85 -3.065 10.833 -8.553 1.00 63.20 H new ATOM 0 HE2 PHE A 85 -0.852 10.515 -4.882 1.00 70.20 H new ATOM 0 HZ PHE A 85 -1.427 11.779 -6.943 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.560 4.660 -7.851 1.00 63.21 N ATOM 1435 CA ASP A 86 -5.755 3.256 -8.181 1.00 42.44 C ATOM 1436 C ASP A 86 -4.561 2.461 -7.703 1.00 50.23 C ATOM 1437 O ASP A 86 -3.416 2.901 -7.823 1.00 3.02 O ATOM 1438 CB ASP A 86 -5.821 2.990 -9.697 1.00 35.42 C ATOM 1439 CG ASP A 86 -7.192 3.158 -10.332 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -7.946 4.051 -9.912 1.00 23.14 O1- ATOM 1441 OD2 ASP A 86 -7.525 2.378 -11.267 1.00 54.44 O ATOM 0 H ASP A 86 -5.652 5.280 -8.656 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.696 2.972 -7.710 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -5.124 3.662 -10.197 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -5.475 1.974 -9.885 1.00 35.42 H new ATOM 1446 N ALA A 87 -4.829 1.206 -7.378 1.00 34.50 N ATOM 1447 CA ALA A 87 -3.847 0.185 -7.053 1.00 54.34 C ATOM 1448 C ALA A 87 -2.743 0.189 -8.113 1.00 42.15 C ATOM 1449 O ALA A 87 -1.562 0.162 -7.779 1.00 54.10 O ATOM 1450 CB ALA A 87 -4.555 -1.173 -6.959 1.00 13.05 C ATOM 0 H ALA A 87 -5.786 0.855 -7.332 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.379 0.388 -6.090 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -3.827 -1.947 -6.715 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.317 -1.133 -6.180 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.025 -1.405 -7.915 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.127 0.305 -9.392 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.233 0.455 -10.536 1.00 71.23 C ATOM 1458 C ARG A 88 -1.145 1.505 -10.303 1.00 35.22 C ATOM 1459 O ARG A 88 0.037 1.177 -10.456 1.00 74.21 O ATOM 1460 CB ARG A 88 -3.070 0.796 -11.778 1.00 33.21 C ATOM 1461 CG ARG A 88 -2.262 0.695 -13.079 1.00 42.33 C ATOM 1462 CD ARG A 88 -2.874 1.519 -14.216 1.00 12.42 C ATOM 1463 NE ARG A 88 -4.321 1.321 -14.404 1.00 52.53 N ATOM 1464 CZ ARG A 88 -5.045 1.871 -15.385 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -4.460 2.648 -16.294 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -6.346 1.628 -15.437 1.00 13.42 N ATOM 0 H ARG A 88 -4.110 0.296 -9.663 1.00 54.42 H new ATOM 0 HA ARG A 88 -1.710 -0.489 -10.685 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -3.925 0.122 -11.832 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -3.467 1.806 -11.678 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -1.242 1.035 -12.897 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -2.200 -0.350 -13.384 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -2.687 2.575 -14.024 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -2.362 1.269 -15.145 1.00 12.42 H new ATOM 0 HE ARG A 88 -4.807 0.721 -13.738 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -3.457 2.825 -16.244 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -5.015 3.066 -17.041 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -6.781 1.029 -14.735 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -6.912 2.040 -16.179 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.516 2.767 -10.037 1.00 15.10 N ATOM 1481 CA LYS A 89 -0.524 3.828 -9.899 1.00 14.14 C ATOM 1482 C LYS A 89 0.099 3.784 -8.510 1.00 2.34 C ATOM 1483 O LYS A 89 1.307 3.984 -8.419 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.081 5.208 -10.297 1.00 41.42 C ATOM 1485 CG LYS A 89 -2.182 5.775 -9.389 1.00 43.13 C ATOM 1486 CD LYS A 89 -3.327 6.464 -10.140 1.00 64.32 C ATOM 1487 CE LYS A 89 -2.962 7.825 -10.751 1.00 13.54 C ATOM 1488 NZ LYS A 89 -4.139 8.517 -11.328 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.483 3.068 -9.916 1.00 15.10 H new ATOM 0 HA LYS A 89 0.282 3.650 -10.611 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -0.255 5.919 -10.320 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.473 5.141 -11.312 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -2.594 4.965 -8.787 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -1.735 6.489 -8.698 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -3.671 5.804 -10.936 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -4.164 6.601 -9.455 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -2.512 8.456 -9.984 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -2.211 7.682 -11.528 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -3.843 9.430 -11.728 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -4.554 7.929 -12.078 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -4.847 8.678 -10.583 1.00 75.22 H new ATOM 1502 N LEU A 90 -0.654 3.457 -7.452 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.141 3.395 -6.085 1.00 62.33 C ATOM 1504 C LEU A 90 1.081 2.471 -6.025 1.00 70.22 C ATOM 1505 O LEU A 90 2.128 2.816 -5.483 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.231 2.878 -5.131 1.00 42.24 C ATOM 1507 CG LEU A 90 -1.401 3.752 -3.878 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -2.498 3.128 -3.019 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -0.097 4.012 -3.109 1.00 43.35 C ATOM 0 H LEU A 90 -1.645 3.227 -7.526 1.00 2.34 H new ATOM 0 HA LEU A 90 0.153 4.398 -5.776 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.180 2.831 -5.665 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -0.986 1.861 -4.826 1.00 42.24 H new ATOM 0 HG LEU A 90 -1.700 4.754 -4.186 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -2.642 3.728 -2.120 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -3.429 3.094 -3.585 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.208 2.116 -2.737 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -0.305 4.636 -2.240 1.00 43.35 H new ATOM 0 HD22 LEU A 90 0.327 3.063 -2.781 1.00 43.35 H new ATOM 0 HD23 LEU A 90 0.614 4.522 -3.760 1.00 43.35 H new ATOM 1521 N HIS A 91 0.954 1.304 -6.662 1.00 11.24 N ATOM 1522 CA HIS A 91 1.986 0.286 -6.813 1.00 44.30 C ATOM 1523 C HIS A 91 3.277 0.868 -7.414 1.00 65.40 C ATOM 1524 O HIS A 91 4.380 0.545 -6.949 1.00 62.10 O ATOM 1525 CB HIS A 91 1.375 -0.818 -7.691 1.00 74.21 C ATOM 1526 CG HIS A 91 2.140 -2.101 -7.844 1.00 23.33 C ATOM 1527 ND1 HIS A 91 2.706 -2.592 -9.001 1.00 12.20 N ATOM 1528 CD2 HIS A 91 2.149 -3.111 -6.925 1.00 63.15 C ATOM 1529 CE1 HIS A 91 3.056 -3.868 -8.779 1.00 30.45 C ATOM 1530 NE2 HIS A 91 2.735 -4.227 -7.529 1.00 10.32 N ATOM 0 H HIS A 91 0.078 1.033 -7.109 1.00 11.24 H new ATOM 0 HA HIS A 91 2.286 -0.118 -5.846 1.00 44.30 H new ATOM 0 HB2 HIS A 91 0.393 -1.061 -7.286 1.00 74.21 H new ATOM 0 HB3 HIS A 91 1.216 -0.403 -8.686 1.00 74.21 H new ATOM 0 HD2 HIS A 91 1.772 -3.057 -5.914 1.00 63.15 H new ATOM 0 HE1 HIS A 91 3.529 -4.513 -9.504 1.00 30.45 H new ATOM 0 HE2 HIS A 91 2.889 -5.140 -7.100 1.00 10.32 H new ATOM 1538 N LYS A 92 3.156 1.714 -8.446 1.00 0.33 N ATOM 1539 CA LYS A 92 4.294 2.408 -9.048 1.00 62.41 C ATOM 1540 C LYS A 92 4.883 3.394 -8.049 1.00 4.02 C ATOM 1541 O LYS A 92 6.088 3.344 -7.806 1.00 61.24 O ATOM 1542 CB LYS A 92 3.918 3.112 -10.366 1.00 22.30 C ATOM 1543 CG LYS A 92 3.539 2.122 -11.479 1.00 2.40 C ATOM 1544 CD LYS A 92 3.340 2.850 -12.817 1.00 24.33 C ATOM 1545 CE LYS A 92 3.156 1.837 -13.953 1.00 65.23 C ATOM 1546 NZ LYS A 92 3.183 2.482 -15.282 1.00 43.32 N1+ ATOM 0 H LYS A 92 2.262 1.934 -8.885 1.00 0.33 H new ATOM 0 HA LYS A 92 5.047 1.661 -9.300 1.00 62.41 H new ATOM 0 HB2 LYS A 92 3.082 3.788 -10.187 1.00 22.30 H new ATOM 0 HB3 LYS A 92 4.757 3.723 -10.699 1.00 22.30 H new ATOM 0 HG2 LYS A 92 4.320 1.369 -11.583 1.00 2.40 H new ATOM 0 HG3 LYS A 92 2.624 1.596 -11.207 1.00 2.40 H new ATOM 0 HD2 LYS A 92 2.469 3.502 -12.758 1.00 24.33 H new ATOM 0 HD3 LYS A 92 4.201 3.486 -13.024 1.00 24.33 H new ATOM 0 HE2 LYS A 92 3.944 1.085 -13.899 1.00 65.23 H new ATOM 0 HE3 LYS A 92 2.208 1.315 -13.823 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 3.055 1.761 -16.020 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 2.416 3.181 -15.344 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 4.097 2.959 -15.418 1.00 43.32 H new ATOM 1560 N LEU A 93 4.060 4.266 -7.458 1.00 63.33 N ATOM 1561 CA LEU A 93 4.511 5.272 -6.498 1.00 20.11 C ATOM 1562 C LEU A 93 5.315 4.616 -5.376 1.00 43.43 C ATOM 1563 O LEU A 93 6.380 5.132 -5.023 1.00 62.13 O ATOM 1564 CB LEU A 93 3.331 6.079 -5.909 1.00 1.11 C ATOM 1565 CG LEU A 93 2.853 7.321 -6.693 1.00 52.21 C ATOM 1566 CD1 LEU A 93 3.996 8.279 -7.047 1.00 23.33 C ATOM 1567 CD2 LEU A 93 2.074 6.957 -7.959 1.00 24.41 C ATOM 0 H LEU A 93 3.056 4.292 -7.635 1.00 63.33 H new ATOM 0 HA LEU A 93 5.151 5.971 -7.036 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.483 5.403 -5.800 1.00 1.11 H new ATOM 0 HB3 LEU A 93 3.612 6.402 -4.907 1.00 1.11 H new ATOM 0 HG LEU A 93 2.177 7.837 -6.011 1.00 52.21 H new ATOM 0 HD11 LEU A 93 3.599 9.132 -7.597 1.00 23.33 H new ATOM 0 HD12 LEU A 93 4.475 8.628 -6.132 1.00 23.33 H new ATOM 0 HD13 LEU A 93 4.729 7.759 -7.664 1.00 23.33 H new ATOM 0 HD21 LEU A 93 1.763 7.868 -8.470 1.00 24.41 H new ATOM 0 HD22 LEU A 93 2.710 6.369 -8.621 1.00 24.41 H new ATOM 0 HD23 LEU A 93 1.194 6.374 -7.689 1.00 24.41 H new ATOM 1579 N TYR A 94 4.846 3.484 -4.845 1.00 62.42 N ATOM 1580 CA TYR A 94 5.573 2.716 -3.850 1.00 42.52 C ATOM 1581 C TYR A 94 6.908 2.227 -4.390 1.00 73.20 C ATOM 1582 O TYR A 94 7.934 2.520 -3.776 1.00 63.02 O ATOM 1583 CB TYR A 94 4.743 1.540 -3.331 1.00 5.32 C ATOM 1584 CG TYR A 94 5.541 0.660 -2.389 1.00 33.45 C ATOM 1585 CD1 TYR A 94 6.043 1.191 -1.184 1.00 3.30 C ATOM 1586 CD2 TYR A 94 5.859 -0.660 -2.757 1.00 12.54 C ATOM 1587 CE1 TYR A 94 6.865 0.416 -0.343 1.00 21.21 C ATOM 1588 CE2 TYR A 94 6.676 -1.440 -1.923 1.00 73.21 C ATOM 1589 CZ TYR A 94 7.190 -0.911 -0.717 1.00 54.02 C ATOM 1590 OH TYR A 94 7.988 -1.698 0.050 1.00 52.45 O ATOM 0 H TYR A 94 3.945 3.078 -5.100 1.00 62.42 H new ATOM 0 HA TYR A 94 5.770 3.386 -3.013 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.860 1.918 -2.815 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.390 0.945 -4.173 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.795 2.204 -0.902 1.00 3.30 H new ATOM 0 HD2 TYR A 94 5.476 -1.072 -3.679 1.00 12.54 H new ATOM 0 HE1 TYR A 94 7.244 0.830 0.579 1.00 21.21 H new ATOM 0 HE2 TYR A 94 6.914 -2.455 -2.206 1.00 73.21 H new ATOM 0 HH TYR A 94 7.839 -1.491 0.996 1.00 52.45 H new ATOM 1600 N LYS A 95 6.925 1.486 -5.510 1.00 41.45 N ATOM 1601 CA LYS A 95 8.186 0.888 -5.954 1.00 54.30 C ATOM 1602 C LYS A 95 9.236 1.964 -6.241 1.00 22.23 C ATOM 1603 O LYS A 95 10.391 1.789 -5.870 1.00 35.23 O ATOM 1604 CB LYS A 95 7.977 -0.087 -7.119 1.00 32.21 C ATOM 1605 CG LYS A 95 9.100 -1.142 -7.183 1.00 61.25 C ATOM 1606 CD LYS A 95 8.597 -2.446 -7.819 1.00 54.15 C ATOM 1607 CE LYS A 95 9.717 -3.489 -7.899 1.00 22.41 C ATOM 1608 NZ LYS A 95 9.237 -4.778 -8.441 1.00 12.11 N1+ ATOM 0 H LYS A 95 6.115 1.294 -6.100 1.00 41.45 H new ATOM 0 HA LYS A 95 8.581 0.285 -5.137 1.00 54.30 H new ATOM 0 HB2 LYS A 95 7.014 -0.586 -7.009 1.00 32.21 H new ATOM 0 HB3 LYS A 95 7.944 0.467 -8.057 1.00 32.21 H new ATOM 0 HG2 LYS A 95 9.938 -0.751 -7.761 1.00 61.25 H new ATOM 0 HG3 LYS A 95 9.472 -1.343 -6.178 1.00 61.25 H new ATOM 0 HD2 LYS A 95 7.767 -2.843 -7.234 1.00 54.15 H new ATOM 0 HD3 LYS A 95 8.214 -2.242 -8.819 1.00 54.15 H new ATOM 0 HE2 LYS A 95 10.522 -3.109 -8.528 1.00 22.41 H new ATOM 0 HE3 LYS A 95 10.136 -3.647 -6.905 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 10.026 -5.454 -8.478 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 8.487 -5.155 -7.827 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 8.860 -4.633 -9.399 1.00 12.11 H new ATOM 1622 N HIS A 96 8.838 3.107 -6.804 1.00 2.14 N ATOM 1623 CA HIS A 96 9.728 4.253 -6.958 1.00 2.00 C ATOM 1624 C HIS A 96 10.161 4.836 -5.602 1.00 64.43 C ATOM 1625 O HIS A 96 11.306 5.265 -5.472 1.00 42.32 O ATOM 1626 CB HIS A 96 9.058 5.338 -7.810 1.00 24.51 C ATOM 1627 CG HIS A 96 9.053 5.073 -9.299 1.00 14.41 C ATOM 1628 ND1 HIS A 96 9.748 5.796 -10.243 1.00 42.35 N ATOM 1629 CD2 HIS A 96 8.357 4.097 -9.962 1.00 62.44 C ATOM 1630 CE1 HIS A 96 9.474 5.262 -11.444 1.00 43.34 C ATOM 1631 NE2 HIS A 96 8.612 4.238 -11.330 1.00 62.31 N ATOM 0 H HIS A 96 7.896 3.261 -7.163 1.00 2.14 H new ATOM 0 HA HIS A 96 10.626 3.900 -7.464 1.00 2.00 H new ATOM 0 HB2 HIS A 96 8.028 5.457 -7.474 1.00 24.51 H new ATOM 0 HB3 HIS A 96 9.564 6.286 -7.627 1.00 24.51 H new ATOM 0 HD2 HIS A 96 7.723 3.350 -9.508 1.00 62.44 H new ATOM 0 HE1 HIS A 96 9.891 5.610 -12.378 1.00 43.34 H new ATOM 0 HE2 HIS A 96 8.222 3.677 -12.088 1.00 62.31 H new ATOM 1639 N ALA A 97 9.283 4.907 -4.596 1.00 74.32 N ATOM 1640 CA ALA A 97 9.627 5.449 -3.281 1.00 62.11 C ATOM 1641 C ALA A 97 10.718 4.625 -2.600 1.00 21.45 C ATOM 1642 O ALA A 97 11.680 5.191 -2.076 1.00 62.01 O ATOM 1643 CB ALA A 97 8.390 5.530 -2.381 1.00 12.11 C ATOM 0 H ALA A 97 8.316 4.591 -4.672 1.00 74.32 H new ATOM 0 HA ALA A 97 10.013 6.456 -3.439 1.00 62.11 H new ATOM 0 HB1 ALA A 97 8.673 5.936 -1.410 1.00 12.11 H new ATOM 0 HB2 ALA A 97 7.646 6.179 -2.843 1.00 12.11 H new ATOM 0 HB3 ALA A 97 7.970 4.533 -2.249 1.00 12.11 H new ATOM 1649 N ILE A 98 10.581 3.297 -2.595 1.00 4.01 N ATOM 1650 CA ILE A 98 11.616 2.442 -2.036 1.00 65.43 C ATOM 1651 C ILE A 98 12.851 2.467 -2.939 1.00 70.52 C ATOM 1652 O ILE A 98 13.927 2.804 -2.456 1.00 31.14 O ATOM 1653 CB ILE A 98 11.082 1.039 -1.689 1.00 34.23 C ATOM 1654 CG1 ILE A 98 12.174 0.257 -0.930 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.529 0.251 -2.885 1.00 12.03 C ATOM 1656 CD1 ILE A 98 11.639 -0.980 -0.209 1.00 25.45 C ATOM 0 H ILE A 98 9.772 2.801 -2.968 1.00 4.01 H new ATOM 0 HA ILE A 98 11.939 2.836 -1.072 1.00 65.43 H new ATOM 0 HB ILE A 98 10.212 1.176 -1.047 1.00 34.23 H new ATOM 0 HG12 ILE A 98 12.949 -0.047 -1.634 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.646 0.918 -0.203 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.176 -0.723 -2.547 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.702 0.802 -3.332 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.317 0.114 -3.626 1.00 12.03 H new ATOM 0 HD11 ILE A 98 12.458 -1.484 0.305 1.00 25.45 H new ATOM 0 HD12 ILE A 98 10.885 -0.679 0.518 1.00 25.45 H new ATOM 0 HD13 ILE A 98 11.193 -1.660 -0.935 1.00 25.45 H new ATOM 1668 N LYS A 99 12.717 2.183 -4.241 1.00 65.44 N ATOM 1669 CA LYS A 99 13.869 2.033 -5.139 1.00 2.32 C ATOM 1670 C LYS A 99 14.708 3.310 -5.222 1.00 44.52 C ATOM 1671 O LYS A 99 15.912 3.215 -5.428 1.00 12.43 O ATOM 1672 CB LYS A 99 13.428 1.530 -6.526 1.00 70.12 C ATOM 1673 CG LYS A 99 14.633 1.150 -7.403 1.00 70.31 C ATOM 1674 CD LYS A 99 14.281 0.633 -8.802 1.00 52.12 C ATOM 1675 CE LYS A 99 13.658 -0.767 -8.896 1.00 11.33 C ATOM 1676 NZ LYS A 99 14.666 -1.855 -8.926 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.815 2.052 -4.698 1.00 65.44 H new ATOM 0 HA LYS A 99 14.521 1.272 -4.711 1.00 2.32 H new ATOM 0 HB2 LYS A 99 12.776 0.664 -6.409 1.00 70.12 H new ATOM 0 HB3 LYS A 99 12.844 2.304 -7.025 1.00 70.12 H new ATOM 0 HG2 LYS A 99 15.277 2.023 -7.507 1.00 70.31 H new ATOM 0 HG3 LYS A 99 15.213 0.386 -6.885 1.00 70.31 H new ATOM 0 HD2 LYS A 99 13.591 1.341 -9.260 1.00 52.12 H new ATOM 0 HD3 LYS A 99 15.190 0.639 -9.403 1.00 52.12 H new ATOM 0 HE2 LYS A 99 12.994 -0.920 -8.046 1.00 11.33 H new ATOM 0 HE3 LYS A 99 13.044 -0.825 -9.795 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 14.184 -2.773 -9.007 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 15.296 -1.722 -9.742 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 15.226 -1.834 -8.050 1.00 60.11 H new ATOM 1690 N LYS A 100 14.127 4.499 -5.016 1.00 42.13 N ATOM 1691 CA LYS A 100 14.887 5.735 -4.820 1.00 4.50 C ATOM 1692 C LYS A 100 15.969 5.530 -3.763 1.00 64.53 C ATOM 1693 O LYS A 100 17.151 5.709 -4.043 1.00 65.31 O ATOM 1694 CB LYS A 100 13.925 6.881 -4.442 1.00 23.44 C ATOM 1695 CG LYS A 100 14.591 8.172 -3.924 1.00 42.32 C ATOM 1696 CD LYS A 100 15.599 8.820 -4.878 1.00 74.15 C ATOM 1697 CE LYS A 100 14.992 9.087 -6.260 1.00 14.21 C ATOM 1698 NZ LYS A 100 15.936 9.793 -7.148 1.00 55.41 N1+ ATOM 0 H LYS A 100 13.116 4.629 -4.981 1.00 42.13 H new ATOM 0 HA LYS A 100 15.388 6.008 -5.749 1.00 4.50 H new ATOM 0 HB2 LYS A 100 13.325 7.130 -5.317 1.00 23.44 H new ATOM 0 HB3 LYS A 100 13.238 6.517 -3.678 1.00 23.44 H new ATOM 0 HG2 LYS A 100 13.810 8.899 -3.700 1.00 42.32 H new ATOM 0 HG3 LYS A 100 15.097 7.948 -2.985 1.00 42.32 H new ATOM 0 HD2 LYS A 100 15.952 9.758 -4.450 1.00 74.15 H new ATOM 0 HD3 LYS A 100 16.468 8.170 -4.983 1.00 74.15 H new ATOM 0 HE2 LYS A 100 14.701 8.141 -6.718 1.00 14.21 H new ATOM 0 HE3 LYS A 100 14.084 9.680 -6.150 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 15.488 9.955 -8.073 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 16.194 10.707 -6.724 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 16.792 9.216 -7.274 1.00 55.41 H new ATOM 1712 N ARG A 101 15.551 5.219 -2.540 1.00 13.00 N ATOM 1713 CA ARG A 101 16.432 5.147 -1.381 1.00 21.24 C ATOM 1714 C ARG A 101 17.156 3.811 -1.279 1.00 32.44 C ATOM 1715 O ARG A 101 18.130 3.727 -0.530 1.00 41.23 O ATOM 1716 CB ARG A 101 15.612 5.421 -0.111 1.00 43.10 C ATOM 1717 CG ARG A 101 14.987 6.827 -0.069 1.00 13.42 C ATOM 1718 CD ARG A 101 16.037 7.943 -0.125 1.00 31.55 C ATOM 1719 NE ARG A 101 16.913 7.924 1.058 1.00 14.22 N ATOM 1720 CZ ARG A 101 16.691 8.566 2.213 1.00 32.10 C ATOM 1721 NH1 ARG A 101 15.560 9.237 2.417 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 17.617 8.558 3.163 1.00 74.22 N ATOM 0 H ARG A 101 14.577 5.007 -2.324 1.00 13.00 H new ATOM 0 HA ARG A 101 17.206 5.906 -1.496 1.00 21.24 H new ATOM 0 HB2 ARG A 101 14.818 4.678 -0.034 1.00 43.10 H new ATOM 0 HB3 ARG A 101 16.254 5.292 0.760 1.00 43.10 H new ATOM 0 HG2 ARG A 101 14.298 6.939 -0.906 1.00 13.42 H new ATOM 0 HG3 ARG A 101 14.399 6.932 0.843 1.00 13.42 H new ATOM 0 HD2 ARG A 101 16.640 7.831 -1.026 1.00 31.55 H new ATOM 0 HD3 ARG A 101 15.538 8.910 -0.193 1.00 31.55 H new ATOM 0 HE ARG A 101 17.768 7.371 0.992 1.00 14.22 H new ATOM 0 HH11 ARG A 101 14.847 9.268 1.688 1.00 32.33 H new ATOM 0 HH12 ARG A 101 15.406 9.720 3.302 1.00 32.33 H new ATOM 0 HH21 ARG A 101 18.497 8.064 3.014 1.00 74.22 H new ATOM 0 HH22 ARG A 101 17.449 9.046 4.043 1.00 74.22 H new ATOM 1736 N GLN A 102 16.703 2.789 -2.002 1.00 34.41 N ATOM 1737 CA GLN A 102 17.163 1.413 -1.927 1.00 70.10 C ATOM 1738 C GLN A 102 17.419 0.932 -3.359 1.00 61.44 C ATOM 1739 O GLN A 102 16.727 0.065 -3.906 1.00 72.53 O ATOM 1740 CB GLN A 102 16.124 0.592 -1.135 1.00 2.55 C ATOM 1741 CG GLN A 102 16.776 -0.545 -0.339 1.00 72.35 C ATOM 1742 CD GLN A 102 17.602 -0.059 0.857 1.00 41.42 C ATOM 1743 OE1 GLN A 102 17.574 1.103 1.256 1.00 50.15 O ATOM 1744 NE2 GLN A 102 18.358 -0.936 1.479 1.00 20.33 N ATOM 0 H GLN A 102 15.963 2.911 -2.694 1.00 34.41 H new ATOM 0 HA GLN A 102 18.103 1.298 -1.387 1.00 70.10 H new ATOM 0 HB2 GLN A 102 15.586 1.250 -0.453 1.00 2.55 H new ATOM 0 HB3 GLN A 102 15.388 0.177 -1.824 1.00 2.55 H new ATOM 0 HG2 GLN A 102 15.998 -1.221 0.017 1.00 72.35 H new ATOM 0 HG3 GLN A 102 17.419 -1.121 -1.004 1.00 72.35 H new ATOM 0 HE21 GLN A 102 18.389 -1.903 1.156 1.00 20.33 H new ATOM 0 HE22 GLN A 102 18.914 -0.650 2.285 1.00 20.33 H new ATOM 1753 N GLU A 103 18.385 1.578 -4.010 1.00 12.25 N ATOM 1754 CA GLU A 103 18.661 1.422 -5.417 1.00 25.11 C ATOM 1755 C GLU A 103 19.054 -0.020 -5.730 1.00 60.21 C ATOM 1756 O GLU A 103 19.755 -0.677 -4.951 1.00 74.11 O ATOM 1757 CB GLU A 103 19.740 2.433 -5.831 1.00 24.43 C ATOM 1758 CG GLU A 103 19.436 2.916 -7.246 1.00 2.13 C ATOM 1759 CD GLU A 103 20.331 4.083 -7.657 1.00 32.20 C ATOM 1760 OE1 GLU A 103 21.456 3.859 -8.152 1.00 44.44 O1- ATOM 1761 OE2 GLU A 103 19.859 5.239 -7.512 1.00 72.01 O ATOM 0 H GLU A 103 19.009 2.241 -3.550 1.00 12.25 H new ATOM 0 HA GLU A 103 17.764 1.629 -6.001 1.00 25.11 H new ATOM 0 HB2 GLU A 103 19.755 3.275 -5.139 1.00 24.43 H new ATOM 0 HB3 GLU A 103 20.726 1.971 -5.793 1.00 24.43 H new ATOM 0 HG2 GLU A 103 19.570 2.092 -7.947 1.00 2.13 H new ATOM 0 HG3 GLU A 103 18.391 3.221 -7.308 1.00 2.13 H new ATOM 1768 N SER A 104 18.557 -0.525 -6.860 1.00 64.23 N ATOM 1769 CA SER A 104 18.658 -1.940 -7.202 1.00 2.21 C ATOM 1770 C SER A 104 19.071 -2.190 -8.653 1.00 64.02 C ATOM 1771 O SER A 104 19.701 -3.219 -8.898 1.00 13.35 O ATOM 1772 CB SER A 104 17.371 -2.701 -6.820 1.00 15.03 C ATOM 1773 OG SER A 104 16.278 -1.844 -6.506 1.00 22.12 O ATOM 0 H SER A 104 18.074 0.036 -7.561 1.00 64.23 H new ATOM 0 HA SER A 104 19.473 -2.343 -6.601 1.00 2.21 H new ATOM 0 HB2 SER A 104 17.086 -3.354 -7.645 1.00 15.03 H new ATOM 0 HB3 SER A 104 17.578 -3.342 -5.963 1.00 15.03 H new ATOM 0 HG SER A 104 16.485 -1.333 -5.696 1.00 22.12 H new ATOM 1779 N GLN A 105 18.804 -1.267 -9.595 1.00 14.34 N ATOM 1780 CA GLN A 105 18.735 -1.586 -11.028 1.00 24.32 C ATOM 1781 C GLN A 105 17.784 -2.795 -11.242 1.00 1.12 C ATOM 1782 O GLN A 105 17.013 -3.130 -10.332 1.00 74.43 O ATOM 1783 CB GLN A 105 20.175 -1.742 -11.578 1.00 3.52 C ATOM 1784 CG GLN A 105 20.682 -0.538 -12.388 1.00 44.01 C ATOM 1785 CD GLN A 105 20.368 -0.674 -13.876 1.00 2.34 C ATOM 1786 OE1 GLN A 105 21.058 -1.380 -14.606 1.00 35.04 O ATOM 1787 NE2 GLN A 105 19.336 -0.013 -14.375 1.00 3.01 N ATOM 0 H GLN A 105 18.631 -0.284 -9.383 1.00 14.34 H new ATOM 0 HA GLN A 105 18.292 -0.781 -11.614 1.00 24.32 H new ATOM 0 HB2 GLN A 105 20.853 -1.913 -10.742 1.00 3.52 H new ATOM 0 HB3 GLN A 105 20.215 -2.631 -12.208 1.00 3.52 H new ATOM 0 HG2 GLN A 105 20.227 0.375 -12.004 1.00 44.01 H new ATOM 0 HG3 GLN A 105 21.759 -0.438 -12.253 1.00 44.01 H new ATOM 0 HE21 GLN A 105 18.764 0.573 -13.767 1.00 3.01 H new ATOM 0 HE22 GLN A 105 19.113 -0.090 -15.367 1.00 3.01 H new ATOM 1796 N GLN A 106 17.751 -3.382 -12.443 1.00 52.33 N ATOM 1797 CA GLN A 106 17.430 -4.793 -12.662 1.00 11.21 C ATOM 1798 C GLN A 106 17.864 -5.146 -14.086 1.00 2.01 C ATOM 1799 O GLN A 106 17.734 -4.322 -14.998 1.00 54.13 O ATOM 1800 CB GLN A 106 15.924 -5.097 -12.482 1.00 23.02 C ATOM 1801 CG GLN A 106 15.646 -6.509 -11.916 1.00 32.41 C ATOM 1802 CD GLN A 106 15.053 -7.479 -12.942 1.00 50.04 C ATOM 1803 OE1 GLN A 106 15.640 -7.746 -13.984 1.00 40.21 O ATOM 1804 NE2 GLN A 106 13.892 -8.060 -12.686 1.00 32.23 N ATOM 0 H GLN A 106 17.951 -2.878 -13.307 1.00 52.33 H new ATOM 0 HA GLN A 106 17.956 -5.393 -11.919 1.00 11.21 H new ATOM 0 HB2 GLN A 106 15.488 -4.354 -11.814 1.00 23.02 H new ATOM 0 HB3 GLN A 106 15.423 -4.994 -13.444 1.00 23.02 H new ATOM 0 HG2 GLN A 106 16.577 -6.926 -11.531 1.00 32.41 H new ATOM 0 HG3 GLN A 106 14.962 -6.424 -11.072 1.00 32.41 H new ATOM 0 HE21 GLN A 106 13.394 -7.846 -11.822 1.00 32.23 H new ATOM 0 HE22 GLN A 106 13.495 -8.722 -13.353 1.00 32.23 H new ATOM 1813 N ASN A 107 18.315 -6.380 -14.301 1.00 32.25 N ATOM 1814 CA ASN A 107 18.644 -6.900 -15.618 1.00 60.35 C ATOM 1815 C ASN A 107 17.370 -7.334 -16.368 1.00 23.12 C ATOM 1816 O ASN A 107 17.192 -8.514 -16.691 1.00 75.20 O ATOM 1817 CB ASN A 107 19.690 -8.025 -15.479 1.00 44.30 C ATOM 1818 CG ASN A 107 20.074 -8.673 -16.809 1.00 2.23 C ATOM 1819 OD1 ASN A 107 20.238 -9.892 -16.873 1.00 42.51 O ATOM 1820 ND2 ASN A 107 20.210 -7.912 -17.883 1.00 50.11 N ATOM 0 H ASN A 107 18.463 -7.054 -13.550 1.00 32.25 H new ATOM 0 HA ASN A 107 19.094 -6.117 -16.229 1.00 60.35 H new ATOM 0 HB2 ASN A 107 20.587 -7.620 -15.010 1.00 44.30 H new ATOM 0 HB3 ASN A 107 19.299 -8.792 -14.810 1.00 44.30 H new ATOM 0 HD21 ASN A 107 20.454 -8.334 -18.779 1.00 50.11 H new ATOM 0 HD22 ASN A 107 20.071 -6.904 -17.815 1.00 50.11 H new ATOM 1827 N SER A 108 16.509 -6.373 -16.713 1.00 10.55 N ATOM 1828 CA SER A 108 15.843 -6.426 -18.005 1.00 41.44 C ATOM 1829 C SER A 108 16.929 -6.348 -19.067 1.00 63.20 C ATOM 1830 O SER A 108 16.746 -6.894 -20.172 1.00 75.32 O ATOM 1831 CB SER A 108 14.856 -5.279 -18.194 1.00 45.42 C ATOM 1832 OG SER A 108 14.129 -4.991 -17.015 1.00 34.25 O ATOM 0 H SER A 108 16.265 -5.572 -16.130 1.00 10.55 H new ATOM 0 HA SER A 108 15.267 -7.348 -18.078 1.00 41.44 H new ATOM 0 HB2 SER A 108 15.397 -4.387 -18.511 1.00 45.42 H new ATOM 0 HB3 SER A 108 14.160 -5.531 -18.994 1.00 45.42 H new ATOM 0 HG SER A 108 13.512 -4.249 -17.184 1.00 34.25 H new TER 1838 SER A 108