USER MOD reduce.3.24.130724 H: found=0, std=0, add=1221, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1221 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 NoAdj-H: A 125 HIS HD1 : A 125 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 146 HIS HD1 : A 146 HIS ND1 : A 202 ZNZN :(H bumps) USER MOD Set 1.1: A 12 GLN : amide:sc= -0.711 K(o=-0.095,f=-2.1) USER MOD Set 1.2: A 55 CYS SG : rot -41:sc= 0.616 USER MOD Single : A 1 MET CE :methyl -172:sc= -0.145 (180deg=-0.26) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0895 (180deg=-0.214) USER MOD Single : A 2 TYR OH : rot 130:sc= -1.14 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -168:sc=-0.00699 (180deg=-0.145) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= 1.22 (180deg=0.92) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= 0.298 (180deg=-1.18!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00889 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 1.2 K(o=1.2,f=-0.82) USER MOD Single : A 52 ASN : amide:sc= -0.614 K(o=-0.61,f=-2.8!) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= 1.03 (180deg=0.599) USER MOD Single : A 57 THR OG1 : rot 86:sc= 1.22 USER MOD Single : A 60 LYS NZ :NH3+ 149:sc= -0.295 (180deg=-1.81!) USER MOD Single : A 67 THR OG1 : rot -77:sc= 0.247 USER MOD Single : A 71 MET CE :methyl 162:sc= -0.139 (180deg=-0.557) USER MOD Single : A 72 MET CE :methyl -104:sc= -0.0837 (180deg=-1.6) USER MOD Single : A 73 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 75 CYS SG : rot 79:sc= -3.07! USER MOD Single : A 76 GLN :FLIP amide:sc= -1.15 F(o=-1.8!,f=-1.2) USER MOD Single : A 83 HIS : no HE2:sc= -1.22! C(o=-1.2!,f=-4.7!) USER MOD Single : A 84 LYS NZ :NH3+ -164:sc= -0.0484 (180deg=-0.284) USER MOD Single : A 92 MET CE :methyl -143:sc= -1.65 (180deg=-3.21) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0437 X(o=-0.044,f=-0.022) USER MOD Single : A 96 THR OG1 : rot -86:sc= 1.24 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN :FLIP amide:sc= -0.0958 F(o=-1.2,f=-0.096) USER MOD Single : A 105 LYS NZ :NH3+ -169:sc=-0.00029 (180deg=-0.121) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 110 ASN : amide:sc= -1.43! C(o=-1.4!,f=-9.2!) USER MOD Single : A 111 GLN : amide:sc= 0.103 K(o=0.1,f=-4.4!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -37:sc= 0.0184 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -2.14! C(o=-2.1!,f=-7.3!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0441) USER MOD Single : A 129 ASN : amide:sc= -0.0366 X(o=-0.037,f=0) USER MOD Single : A 135 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0122) USER MOD Single : A 136 LYS NZ :NH3+ 169:sc= -0.0114 (180deg=-0.201) USER MOD Single : A 140 LYS NZ :NH3+ -167:sc= 1.33 (180deg=0.74) USER MOD Single : A 143 LYS NZ :NH3+ 171:sc= -0.0123 (180deg=-0.0961) USER MOD Single : A 147 GLN : amide:sc= -0.033 K(o=-0.033,f=-0.59) USER MOD Single : A 148 MET CE :methyl 154:sc= 0 (180deg=-0.612) USER MOD Single : A 149 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00138) USER MOD Single : A 152 THR OG1 : rot 86:sc= 0.242 USER MOD Single : A 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 ASN : amide:sc=-0.00367 X(o=-0.0037,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.877 -13.218 -14.282 1.00 20.39 N ATOM 2 CA MET A 1 22.465 -12.779 -14.199 1.00 19.96 C ATOM 3 C MET A 1 22.205 -11.586 -15.121 1.00 19.35 C ATOM 4 O MET A 1 21.342 -11.653 -15.997 1.00 19.23 O ATOM 5 CB MET A 1 22.088 -12.449 -12.745 1.00 20.24 C ATOM 6 CG MET A 1 23.080 -11.540 -12.035 1.00 20.56 C ATOM 7 SD MET A 1 22.649 -11.233 -10.313 1.00 20.81 S ATOM 8 CE MET A 1 24.036 -10.217 -9.806 1.00 20.97 C ATOM 0 H1 MET A 1 24.070 -13.911 -13.531 1.00 20.39 H new ATOM 0 H2 MET A 1 24.051 -13.656 -15.209 1.00 20.39 H new ATOM 0 H3 MET A 1 24.504 -12.396 -14.164 1.00 20.39 H new ATOM 0 HA MET A 1 21.832 -13.600 -14.536 1.00 19.96 H new ATOM 0 HB2 MET A 1 21.106 -11.975 -12.734 1.00 20.24 H new ATOM 0 HB3 MET A 1 21.999 -13.379 -12.184 1.00 20.24 H new ATOM 0 HG2 MET A 1 24.072 -11.989 -12.081 1.00 20.56 H new ATOM 0 HG3 MET A 1 23.136 -10.589 -12.565 1.00 20.56 H new ATOM 0 HE1 MET A 1 23.996 -10.059 -8.728 1.00 20.97 H new ATOM 0 HE2 MET A 1 24.968 -10.719 -10.065 1.00 20.97 H new ATOM 0 HE3 MET A 1 23.988 -9.255 -10.316 1.00 20.97 H new ATOM 20 N TYR A 2 22.957 -10.505 -14.931 1.00 19.08 N ATOM 21 CA TYR A 2 22.853 -9.324 -15.781 1.00 18.61 C ATOM 22 C TYR A 2 23.973 -8.346 -15.449 1.00 17.62 C ATOM 23 O TYR A 2 24.411 -8.260 -14.300 1.00 17.34 O ATOM 24 CB TYR A 2 21.476 -8.645 -15.643 1.00 19.12 C ATOM 25 CG TYR A 2 21.117 -8.195 -14.241 1.00 19.80 C ATOM 26 CD1 TYR A 2 21.332 -6.886 -13.835 1.00 19.93 C ATOM 27 CD2 TYR A 2 20.547 -9.077 -13.330 1.00 20.43 C ATOM 28 CE1 TYR A 2 20.993 -6.467 -12.563 1.00 20.67 C ATOM 29 CE2 TYR A 2 20.207 -8.667 -12.057 1.00 21.16 C ATOM 30 CZ TYR A 2 20.433 -7.360 -11.679 1.00 21.27 C ATOM 31 OH TYR A 2 20.089 -6.945 -10.414 1.00 22.10 O ATOM 0 H TYR A 2 23.651 -10.424 -14.188 1.00 19.08 H new ATOM 0 HA TYR A 2 22.954 -9.642 -16.819 1.00 18.61 H new ATOM 0 HB2 TYR A 2 21.448 -7.779 -16.304 1.00 19.12 H new ATOM 0 HB3 TYR A 2 20.710 -9.338 -15.992 1.00 19.12 H new ATOM 0 HD1 TYR A 2 21.772 -6.182 -14.526 1.00 19.93 H new ATOM 0 HD2 TYR A 2 20.367 -10.101 -13.624 1.00 20.43 H new ATOM 0 HE1 TYR A 2 21.167 -5.444 -12.264 1.00 20.67 H new ATOM 0 HE2 TYR A 2 19.767 -9.365 -11.361 1.00 21.16 H new ATOM 0 HH TYR A 2 19.168 -7.218 -10.219 1.00 22.10 H new ATOM 41 N SER A 3 24.443 -7.630 -16.455 1.00 17.23 N ATOM 42 CA SER A 3 25.532 -6.682 -16.279 1.00 16.40 C ATOM 43 C SER A 3 25.174 -5.333 -16.896 1.00 15.74 C ATOM 44 O SER A 3 25.479 -5.069 -18.059 1.00 15.62 O ATOM 45 CB SER A 3 26.812 -7.236 -16.910 1.00 16.48 C ATOM 46 OG SER A 3 27.152 -8.498 -16.352 1.00 16.86 O ATOM 0 H SER A 3 24.086 -7.687 -17.409 1.00 17.23 H new ATOM 0 HA SER A 3 25.699 -6.534 -15.212 1.00 16.40 H new ATOM 0 HB2 SER A 3 26.677 -7.336 -17.987 1.00 16.48 H new ATOM 0 HB3 SER A 3 27.631 -6.534 -16.755 1.00 16.48 H new ATOM 0 HG SER A 3 27.972 -8.831 -16.773 1.00 16.86 H new ATOM 52 N PRO A 4 24.502 -4.468 -16.126 1.00 15.46 N ATOM 53 CA PRO A 4 24.100 -3.145 -16.575 1.00 15.00 C ATOM 54 C PRO A 4 25.097 -2.067 -16.151 1.00 14.24 C ATOM 55 O PRO A 4 26.013 -2.324 -15.371 1.00 13.43 O ATOM 56 CB PRO A 4 22.775 -2.965 -15.838 1.00 15.20 C ATOM 57 CG PRO A 4 22.966 -3.679 -14.534 1.00 15.47 C ATOM 58 CD PRO A 4 24.053 -4.713 -14.746 1.00 15.76 C ATOM 0 HA PRO A 4 24.038 -3.057 -17.660 1.00 15.00 H new ATOM 0 HB2 PRO A 4 22.548 -1.910 -15.683 1.00 15.20 H new ATOM 0 HB3 PRO A 4 21.946 -3.389 -16.404 1.00 15.20 H new ATOM 0 HG2 PRO A 4 23.249 -2.978 -13.749 1.00 15.47 H new ATOM 0 HG3 PRO A 4 22.038 -4.155 -14.216 1.00 15.47 H new ATOM 0 HD2 PRO A 4 24.867 -4.590 -14.032 1.00 15.76 H new ATOM 0 HD3 PRO A 4 23.671 -5.727 -14.623 1.00 15.76 H new ATOM 66 N THR A 5 24.911 -0.860 -16.666 1.00 14.65 N ATOM 67 CA THR A 5 25.727 0.276 -16.268 1.00 14.22 C ATOM 68 C THR A 5 25.203 0.861 -14.959 1.00 13.17 C ATOM 69 O THR A 5 25.880 1.631 -14.282 1.00 12.56 O ATOM 70 CB THR A 5 25.726 1.369 -17.356 1.00 15.22 C ATOM 71 OG1 THR A 5 25.974 0.778 -18.638 1.00 15.79 O ATOM 72 CG2 THR A 5 26.792 2.416 -17.072 1.00 15.33 C ATOM 0 H THR A 5 24.199 -0.643 -17.363 1.00 14.65 H new ATOM 0 HA THR A 5 26.750 -0.075 -16.131 1.00 14.22 H new ATOM 0 HB THR A 5 24.749 1.852 -17.354 1.00 15.22 H new ATOM 0 HG1 THR A 5 25.971 1.476 -19.326 1.00 15.79 H new ATOM 0 HG21 THR A 5 26.772 3.176 -17.853 1.00 15.33 H new ATOM 0 HG22 THR A 5 26.596 2.882 -16.106 1.00 15.33 H new ATOM 0 HG23 THR A 5 27.773 1.941 -17.053 1.00 15.33 H new ATOM 80 N SER A 6 23.991 0.456 -14.600 1.00 13.06 N ATOM 81 CA SER A 6 23.331 0.931 -13.391 1.00 12.17 C ATOM 82 C SER A 6 24.112 0.565 -12.129 1.00 11.07 C ATOM 83 O SER A 6 23.887 1.141 -11.065 1.00 10.23 O ATOM 84 CB SER A 6 21.925 0.350 -13.322 1.00 12.55 C ATOM 85 OG SER A 6 21.221 0.606 -14.525 1.00 13.32 O ATOM 0 H SER A 6 23.438 -0.211 -15.139 1.00 13.06 H new ATOM 0 HA SER A 6 23.284 2.019 -13.438 1.00 12.17 H new ATOM 0 HB2 SER A 6 21.978 -0.724 -13.147 1.00 12.55 H new ATOM 0 HB3 SER A 6 21.387 0.785 -12.480 1.00 12.55 H new ATOM 0 HG SER A 6 20.320 0.225 -14.464 1.00 13.32 H new ATOM 91 N ILE A 7 25.030 -0.386 -12.246 1.00 11.18 N ATOM 92 CA ILE A 7 25.834 -0.799 -11.103 1.00 10.37 C ATOM 93 C ILE A 7 26.957 0.201 -10.847 1.00 9.98 C ATOM 94 O ILE A 7 27.605 0.175 -9.804 1.00 9.20 O ATOM 95 CB ILE A 7 26.409 -2.222 -11.261 1.00 10.88 C ATOM 96 CG1 ILE A 7 27.215 -2.352 -12.554 1.00 11.65 C ATOM 97 CG2 ILE A 7 25.282 -3.249 -11.221 1.00 10.56 C ATOM 98 CD1 ILE A 7 27.804 -3.727 -12.760 1.00 12.15 C ATOM 0 H ILE A 7 25.235 -0.882 -13.113 1.00 11.18 H new ATOM 0 HA ILE A 7 25.166 -0.819 -10.242 1.00 10.37 H new ATOM 0 HB ILE A 7 27.087 -2.412 -10.429 1.00 10.88 H new ATOM 0 HG12 ILE A 7 26.571 -2.110 -13.400 1.00 11.65 H new ATOM 0 HG13 ILE A 7 28.020 -1.618 -12.546 1.00 11.65 H new ATOM 0 HG21 ILE A 7 25.698 -4.250 -11.333 1.00 10.56 H new ATOM 0 HG22 ILE A 7 24.759 -3.178 -10.267 1.00 10.56 H new ATOM 0 HG23 ILE A 7 24.583 -3.053 -12.034 1.00 10.56 H new ATOM 0 HD11 ILE A 7 28.362 -3.747 -13.696 1.00 12.15 H new ATOM 0 HD12 ILE A 7 28.473 -3.964 -11.933 1.00 12.15 H new ATOM 0 HD13 ILE A 7 27.002 -4.464 -12.800 1.00 12.15 H new ATOM 110 N LEU A 8 27.198 1.068 -11.821 1.00 10.74 N ATOM 111 CA LEU A 8 28.099 2.195 -11.645 1.00 10.77 C ATOM 112 C LEU A 8 27.352 3.344 -10.976 1.00 10.46 C ATOM 113 O LEU A 8 27.955 4.264 -10.427 1.00 10.30 O ATOM 114 CB LEU A 8 28.655 2.656 -12.995 1.00 11.94 C ATOM 115 CG LEU A 8 29.805 1.825 -13.583 1.00 12.47 C ATOM 116 CD1 LEU A 8 29.453 0.347 -13.657 1.00 12.44 C ATOM 117 CD2 LEU A 8 30.146 2.342 -14.966 1.00 13.09 C ATOM 0 H LEU A 8 26.777 1.010 -12.748 1.00 10.74 H new ATOM 0 HA LEU A 8 28.932 1.883 -11.015 1.00 10.77 H new ATOM 0 HB2 LEU A 8 27.837 2.665 -13.716 1.00 11.94 H new ATOM 0 HB3 LEU A 8 28.997 3.685 -12.889 1.00 11.94 H new ATOM 0 HG LEU A 8 30.667 1.927 -12.923 1.00 12.47 H new ATOM 0 HD11 LEU A 8 30.292 -0.206 -14.078 1.00 12.44 H new ATOM 0 HD12 LEU A 8 29.238 -0.026 -12.656 1.00 12.44 H new ATOM 0 HD13 LEU A 8 28.576 0.213 -14.290 1.00 12.44 H new ATOM 0 HD21 LEU A 8 30.962 1.753 -15.384 1.00 13.09 H new ATOM 0 HD22 LEU A 8 29.271 2.259 -15.611 1.00 13.09 H new ATOM 0 HD23 LEU A 8 30.450 3.387 -14.899 1.00 13.09 H new ATOM 129 N ASP A 9 26.027 3.274 -11.030 1.00 10.57 N ATOM 130 CA ASP A 9 25.161 4.334 -10.516 1.00 10.51 C ATOM 131 C ASP A 9 24.560 3.930 -9.177 1.00 9.48 C ATOM 132 O ASP A 9 23.476 4.386 -8.807 1.00 9.50 O ATOM 133 CB ASP A 9 24.030 4.658 -11.501 1.00 11.48 C ATOM 134 CG ASP A 9 24.517 5.327 -12.772 1.00 12.16 C ATOM 135 OD1 ASP A 9 24.072 4.927 -13.869 1.00 12.46 O ATOM 136 OD2 ASP A 9 25.373 6.234 -12.681 1.00 12.54 O ATOM 0 H ASP A 9 25.521 2.484 -11.430 1.00 10.57 H new ATOM 0 HA ASP A 9 25.777 5.224 -10.386 1.00 10.51 H new ATOM 0 HB2 ASP A 9 23.508 3.737 -11.760 1.00 11.48 H new ATOM 0 HB3 ASP A 9 23.305 5.308 -11.011 1.00 11.48 H new ATOM 141 N ILE A 10 25.263 3.058 -8.468 1.00 8.74 N ATOM 142 CA ILE A 10 24.793 2.517 -7.193 1.00 7.86 C ATOM 143 C ILE A 10 24.820 3.557 -6.070 1.00 7.43 C ATOM 144 O ILE A 10 25.543 3.416 -5.085 1.00 6.73 O ATOM 145 CB ILE A 10 25.629 1.290 -6.776 1.00 7.25 C ATOM 146 CG1 ILE A 10 27.128 1.600 -6.895 1.00 7.42 C ATOM 147 CG2 ILE A 10 25.244 0.085 -7.621 1.00 7.55 C ATOM 148 CD1 ILE A 10 28.025 0.408 -6.647 1.00 7.84 C ATOM 0 H ILE A 10 26.175 2.704 -8.757 1.00 8.74 H new ATOM 0 HA ILE A 10 23.756 2.219 -7.349 1.00 7.86 H new ATOM 0 HB ILE A 10 25.420 1.053 -5.733 1.00 7.25 H new ATOM 0 HG12 ILE A 10 27.329 1.992 -7.892 1.00 7.42 H new ATOM 0 HG13 ILE A 10 27.383 2.387 -6.186 1.00 7.42 H new ATOM 0 HG21 ILE A 10 25.840 -0.776 -7.319 1.00 7.55 H new ATOM 0 HG22 ILE A 10 24.187 -0.137 -7.478 1.00 7.55 H new ATOM 0 HG23 ILE A 10 25.430 0.304 -8.673 1.00 7.55 H new ATOM 0 HD11 ILE A 10 29.067 0.709 -6.750 1.00 7.84 H new ATOM 0 HD12 ILE A 10 27.855 0.028 -5.640 1.00 7.84 H new ATOM 0 HD13 ILE A 10 27.800 -0.374 -7.373 1.00 7.84 H new ATOM 160 N ARG A 11 24.027 4.601 -6.230 1.00 8.07 N ATOM 161 CA ARG A 11 23.860 5.602 -5.195 1.00 7.96 C ATOM 162 C ARG A 11 22.377 5.893 -5.012 1.00 7.79 C ATOM 163 O ARG A 11 21.549 5.412 -5.786 1.00 8.29 O ATOM 164 CB ARG A 11 24.636 6.875 -5.539 1.00 9.08 C ATOM 165 CG ARG A 11 24.179 7.570 -6.806 1.00 9.98 C ATOM 166 CD ARG A 11 24.936 8.869 -7.009 1.00 10.66 C ATOM 167 NE ARG A 11 26.361 8.648 -7.269 1.00 11.50 N ATOM 168 CZ ARG A 11 27.351 9.256 -6.608 1.00 12.34 C ATOM 169 NH1 ARG A 11 27.082 10.132 -5.648 1.00 12.46 N ATOM 170 NH2 ARG A 11 28.613 8.989 -6.919 1.00 13.19 N ATOM 0 H ARG A 11 23.484 4.777 -7.076 1.00 8.07 H new ATOM 0 HA ARG A 11 24.263 5.221 -4.257 1.00 7.96 H new ATOM 0 HB2 ARG A 11 24.550 7.573 -4.706 1.00 9.08 H new ATOM 0 HB3 ARG A 11 25.692 6.625 -5.638 1.00 9.08 H new ATOM 0 HG2 ARG A 11 24.336 6.915 -7.663 1.00 9.98 H new ATOM 0 HG3 ARG A 11 23.109 7.772 -6.750 1.00 9.98 H new ATOM 0 HD2 ARG A 11 24.497 9.416 -7.844 1.00 10.66 H new ATOM 0 HD3 ARG A 11 24.823 9.495 -6.124 1.00 10.66 H new ATOM 0 HE ARG A 11 26.614 7.986 -8.003 1.00 11.50 H new ATOM 0 HH11 ARG A 11 26.114 10.346 -5.409 1.00 12.46 H new ATOM 0 HH12 ARG A 11 27.844 10.591 -5.149 1.00 12.46 H new ATOM 0 HH21 ARG A 11 28.825 8.322 -7.661 1.00 13.19 H new ATOM 0 HH22 ARG A 11 29.371 9.451 -6.417 1.00 13.19 H new ATOM 184 N GLN A 12 22.037 6.677 -4.003 1.00 7.29 N ATOM 185 CA GLN A 12 20.638 6.879 -3.654 1.00 7.16 C ATOM 186 C GLN A 12 20.260 8.349 -3.689 1.00 7.82 C ATOM 187 O GLN A 12 21.055 9.220 -3.335 1.00 8.10 O ATOM 188 CB GLN A 12 20.339 6.322 -2.259 1.00 6.33 C ATOM 189 CG GLN A 12 18.854 6.320 -1.923 1.00 6.44 C ATOM 190 CD GLN A 12 18.574 6.203 -0.438 1.00 6.33 C ATOM 191 OE1 GLN A 12 19.360 5.638 0.317 1.00 6.37 O ATOM 192 NE2 GLN A 12 17.439 6.736 -0.016 1.00 6.60 N ATOM 0 H GLN A 12 22.702 7.180 -3.415 1.00 7.29 H new ATOM 0 HA GLN A 12 20.046 6.345 -4.397 1.00 7.16 H new ATOM 0 HB2 GLN A 12 20.722 5.304 -2.191 1.00 6.33 H new ATOM 0 HB3 GLN A 12 20.873 6.914 -1.516 1.00 6.33 H new ATOM 0 HG2 GLN A 12 18.402 7.238 -2.299 1.00 6.44 H new ATOM 0 HG3 GLN A 12 18.372 5.492 -2.443 1.00 6.44 H new ATOM 0 HE21 GLN A 12 16.815 7.197 -0.678 1.00 6.60 H new ATOM 0 HE22 GLN A 12 17.188 6.686 0.971 1.00 6.60 H new ATOM 201 N GLY A 13 19.044 8.613 -4.135 1.00 8.30 N ATOM 202 CA GLY A 13 18.476 9.938 -4.035 1.00 9.01 C ATOM 203 C GLY A 13 17.469 10.010 -2.903 1.00 8.63 C ATOM 204 O GLY A 13 17.090 8.975 -2.356 1.00 7.84 O ATOM 0 H GLY A 13 18.433 7.922 -4.570 1.00 8.30 H new ATOM 0 HA2 GLY A 13 19.269 10.667 -3.869 1.00 9.01 H new ATOM 0 HA3 GLY A 13 17.992 10.203 -4.975 1.00 9.01 H new ATOM 208 N PRO A 14 17.009 11.211 -2.530 1.00 9.33 N ATOM 209 CA PRO A 14 16.069 11.382 -1.416 1.00 9.17 C ATOM 210 C PRO A 14 14.742 10.664 -1.655 1.00 8.90 C ATOM 211 O PRO A 14 14.137 10.131 -0.726 1.00 8.50 O ATOM 212 CB PRO A 14 15.857 12.898 -1.345 1.00 10.25 C ATOM 213 CG PRO A 14 16.278 13.415 -2.679 1.00 10.91 C ATOM 214 CD PRO A 14 17.366 12.496 -3.152 1.00 10.46 C ATOM 0 HA PRO A 14 16.459 10.954 -0.492 1.00 9.17 H new ATOM 0 HB2 PRO A 14 14.814 13.141 -1.140 1.00 10.25 H new ATOM 0 HB3 PRO A 14 16.451 13.342 -0.546 1.00 10.25 H new ATOM 0 HG2 PRO A 14 15.441 13.421 -3.377 1.00 10.91 H new ATOM 0 HG3 PRO A 14 16.638 14.441 -2.604 1.00 10.91 H new ATOM 0 HD2 PRO A 14 17.390 12.425 -4.239 1.00 10.46 H new ATOM 0 HD3 PRO A 14 18.350 12.839 -2.833 1.00 10.46 H new ATOM 222 N LYS A 15 14.307 10.631 -2.907 1.00 9.36 N ATOM 223 CA LYS A 15 13.034 10.012 -3.260 1.00 9.53 C ATOM 224 C LYS A 15 13.225 8.565 -3.694 1.00 9.20 C ATOM 225 O LYS A 15 12.267 7.897 -4.086 1.00 9.66 O ATOM 226 CB LYS A 15 12.356 10.795 -4.386 1.00 10.67 C ATOM 227 CG LYS A 15 13.174 10.850 -5.666 1.00 11.41 C ATOM 228 CD LYS A 15 12.458 11.625 -6.761 1.00 12.05 C ATOM 229 CE LYS A 15 11.184 10.923 -7.216 1.00 12.96 C ATOM 230 NZ LYS A 15 11.464 9.613 -7.865 1.00 13.55 N ATOM 0 H LYS A 15 14.817 11.026 -3.697 1.00 9.36 H new ATOM 0 HA LYS A 15 12.402 10.028 -2.372 1.00 9.53 H new ATOM 0 HB2 LYS A 15 11.389 10.341 -4.602 1.00 10.67 H new ATOM 0 HB3 LYS A 15 12.162 11.812 -4.045 1.00 10.67 H new ATOM 0 HG2 LYS A 15 14.138 11.316 -5.462 1.00 11.41 H new ATOM 0 HG3 LYS A 15 13.377 9.836 -6.011 1.00 11.41 H new ATOM 0 HD2 LYS A 15 12.212 12.623 -6.398 1.00 12.05 H new ATOM 0 HD3 LYS A 15 13.127 11.751 -7.613 1.00 12.05 H new ATOM 0 HE2 LYS A 15 10.530 10.769 -6.358 1.00 12.96 H new ATOM 0 HE3 LYS A 15 10.647 11.565 -7.914 1.00 12.96 H new ATOM 0 HZ1 LYS A 15 10.603 9.268 -8.336 1.00 13.55 H new ATOM 0 HZ2 LYS A 15 12.221 9.729 -8.569 1.00 13.55 H new ATOM 0 HZ3 LYS A 15 11.764 8.926 -7.144 1.00 13.55 H new ATOM 244 N GLU A 16 14.454 8.083 -3.615 1.00 8.57 N ATOM 245 CA GLU A 16 14.776 6.753 -4.099 1.00 8.39 C ATOM 246 C GLU A 16 14.424 5.703 -3.062 1.00 7.72 C ATOM 247 O GLU A 16 14.797 5.821 -1.892 1.00 6.94 O ATOM 248 CB GLU A 16 16.260 6.654 -4.431 1.00 8.10 C ATOM 249 CG GLU A 16 16.576 5.586 -5.459 1.00 8.26 C ATOM 250 CD GLU A 16 16.118 5.988 -6.842 1.00 9.36 C ATOM 251 OE1 GLU A 16 16.785 6.824 -7.483 1.00 9.85 O ATOM 252 OE2 GLU A 16 15.094 5.449 -7.308 1.00 9.91 O ATOM 0 H GLU A 16 15.244 8.593 -3.220 1.00 8.57 H new ATOM 0 HA GLU A 16 14.190 6.573 -5.000 1.00 8.39 H new ATOM 0 HB2 GLU A 16 16.607 7.619 -4.801 1.00 8.10 H new ATOM 0 HB3 GLU A 16 16.816 6.444 -3.517 1.00 8.10 H new ATOM 0 HG2 GLU A 16 17.650 5.399 -5.471 1.00 8.26 H new ATOM 0 HG3 GLU A 16 16.093 4.652 -5.173 1.00 8.26 H new ATOM 259 N PRO A 17 13.670 4.678 -3.473 1.00 8.28 N ATOM 260 CA PRO A 17 13.434 3.500 -2.646 1.00 8.07 C ATOM 261 C PRO A 17 14.753 2.826 -2.291 1.00 7.31 C ATOM 262 O PRO A 17 15.441 2.285 -3.162 1.00 7.39 O ATOM 263 CB PRO A 17 12.582 2.591 -3.535 1.00 9.21 C ATOM 264 CG PRO A 17 11.970 3.500 -4.543 1.00 9.95 C ATOM 265 CD PRO A 17 12.975 4.590 -4.770 1.00 9.45 C ATOM 0 HA PRO A 17 12.947 3.737 -1.700 1.00 8.07 H new ATOM 0 HB2 PRO A 17 13.191 1.824 -4.014 1.00 9.21 H new ATOM 0 HB3 PRO A 17 11.818 2.075 -2.954 1.00 9.21 H new ATOM 0 HG2 PRO A 17 11.753 2.968 -5.469 1.00 9.95 H new ATOM 0 HG3 PRO A 17 11.026 3.907 -4.181 1.00 9.95 H new ATOM 0 HD2 PRO A 17 13.662 4.343 -5.580 1.00 9.45 H new ATOM 0 HD3 PRO A 17 12.495 5.532 -5.035 1.00 9.45 H new ATOM 273 N PHE A 18 15.100 2.886 -1.008 1.00 6.75 N ATOM 274 CA PHE A 18 16.368 2.364 -0.500 1.00 6.11 C ATOM 275 C PHE A 18 16.588 0.921 -0.941 1.00 6.56 C ATOM 276 O PHE A 18 17.705 0.519 -1.244 1.00 6.14 O ATOM 277 CB PHE A 18 16.380 2.456 1.032 1.00 6.14 C ATOM 278 CG PHE A 18 17.680 2.047 1.675 1.00 5.98 C ATOM 279 CD1 PHE A 18 17.892 0.739 2.086 1.00 6.36 C ATOM 280 CD2 PHE A 18 18.686 2.978 1.879 1.00 5.83 C ATOM 281 CE1 PHE A 18 19.082 0.368 2.684 1.00 6.55 C ATOM 282 CE2 PHE A 18 19.878 2.612 2.477 1.00 6.04 C ATOM 283 CZ PHE A 18 20.076 1.307 2.881 1.00 6.38 C ATOM 0 H PHE A 18 14.508 3.300 -0.288 1.00 6.75 H new ATOM 0 HA PHE A 18 17.180 2.965 -0.910 1.00 6.11 H new ATOM 0 HB2 PHE A 18 16.153 3.482 1.323 1.00 6.14 H new ATOM 0 HB3 PHE A 18 15.581 1.828 1.427 1.00 6.14 H new ATOM 0 HD1 PHE A 18 17.118 0.001 1.937 1.00 6.36 H new ATOM 0 HD2 PHE A 18 18.537 4.001 1.567 1.00 5.83 H new ATOM 0 HE1 PHE A 18 19.234 -0.654 2.997 1.00 6.55 H new ATOM 0 HE2 PHE A 18 20.654 3.347 2.628 1.00 6.04 H new ATOM 0 HZ PHE A 18 21.006 1.021 3.350 1.00 6.38 H new ATOM 293 N ARG A 19 15.511 0.159 -1.009 1.00 7.57 N ATOM 294 CA ARG A 19 15.601 -1.256 -1.331 1.00 8.30 C ATOM 295 C ARG A 19 15.971 -1.484 -2.796 1.00 8.53 C ATOM 296 O ARG A 19 16.436 -2.560 -3.159 1.00 8.98 O ATOM 297 CB ARG A 19 14.272 -1.943 -1.021 1.00 9.53 C ATOM 298 CG ARG A 19 14.299 -3.449 -1.214 1.00 10.28 C ATOM 299 CD ARG A 19 12.949 -4.065 -0.914 1.00 11.35 C ATOM 300 NE ARG A 19 12.957 -5.515 -1.090 1.00 12.03 N ATOM 301 CZ ARG A 19 11.989 -6.320 -0.664 1.00 13.02 C ATOM 302 NH1 ARG A 19 10.921 -5.817 -0.054 1.00 13.43 N ATOM 303 NH2 ARG A 19 12.082 -7.628 -0.862 1.00 13.72 N ATOM 0 H ARG A 19 14.562 0.496 -0.846 1.00 7.57 H new ATOM 0 HA ARG A 19 16.393 -1.686 -0.717 1.00 8.30 H new ATOM 0 HB2 ARG A 19 13.992 -1.723 0.009 1.00 9.53 H new ATOM 0 HB3 ARG A 19 13.497 -1.518 -1.659 1.00 9.53 H new ATOM 0 HG2 ARG A 19 14.588 -3.682 -2.239 1.00 10.28 H new ATOM 0 HG3 ARG A 19 15.055 -3.888 -0.563 1.00 10.28 H new ATOM 0 HD2 ARG A 19 12.661 -3.826 0.110 1.00 11.35 H new ATOM 0 HD3 ARG A 19 12.196 -3.625 -1.568 1.00 11.35 H new ATOM 0 HE ARG A 19 13.754 -5.935 -1.569 1.00 12.03 H new ATOM 0 HH11 ARG A 19 10.842 -4.810 0.089 1.00 13.43 H new ATOM 0 HH12 ARG A 19 10.180 -6.438 0.272 1.00 13.43 H new ATOM 0 HH21 ARG A 19 12.896 -8.015 -1.341 1.00 13.72 H new ATOM 0 HH22 ARG A 19 11.340 -8.247 -0.536 1.00 13.72 H new ATOM 317 N ASP A 20 15.784 -0.477 -3.640 1.00 8.44 N ATOM 318 CA ASP A 20 15.969 -0.674 -5.073 1.00 9.01 C ATOM 319 C ASP A 20 17.421 -0.467 -5.490 1.00 8.27 C ATOM 320 O ASP A 20 18.057 -1.380 -6.014 1.00 8.68 O ATOM 321 CB ASP A 20 15.061 0.258 -5.876 1.00 9.59 C ATOM 322 CG ASP A 20 14.899 -0.190 -7.317 1.00 10.55 C ATOM 323 OD1 ASP A 20 13.790 -0.616 -7.703 1.00 11.24 O ATOM 324 OD2 ASP A 20 15.891 -0.120 -8.075 1.00 10.78 O ATOM 0 H ASP A 20 15.510 0.466 -3.366 1.00 8.44 H new ATOM 0 HA ASP A 20 15.697 -1.707 -5.289 1.00 9.01 H new ATOM 0 HB2 ASP A 20 14.081 0.304 -5.401 1.00 9.59 H new ATOM 0 HB3 ASP A 20 15.473 1.267 -5.856 1.00 9.59 H new ATOM 329 N TYR A 21 17.957 0.720 -5.250 1.00 7.30 N ATOM 330 CA TYR A 21 19.305 1.029 -5.710 1.00 6.73 C ATOM 331 C TYR A 21 20.366 0.359 -4.849 1.00 6.19 C ATOM 332 O TYR A 21 21.475 0.091 -5.309 1.00 6.24 O ATOM 333 CB TYR A 21 19.536 2.536 -5.779 1.00 6.06 C ATOM 334 CG TYR A 21 19.263 3.108 -7.153 1.00 5.92 C ATOM 335 CD1 TYR A 21 17.966 3.307 -7.603 1.00 6.01 C ATOM 336 CD2 TYR A 21 20.310 3.444 -8.001 1.00 6.13 C ATOM 337 CE1 TYR A 21 17.718 3.826 -8.860 1.00 6.36 C ATOM 338 CE2 TYR A 21 20.071 3.963 -9.259 1.00 6.47 C ATOM 339 CZ TYR A 21 18.774 4.152 -9.683 1.00 6.60 C ATOM 340 OH TYR A 21 18.533 4.676 -10.934 1.00 7.29 O ATOM 0 H TYR A 21 17.490 1.475 -4.748 1.00 7.30 H new ATOM 0 HA TYR A 21 19.397 0.625 -6.718 1.00 6.73 H new ATOM 0 HB2 TYR A 21 18.894 3.031 -5.050 1.00 6.06 H new ATOM 0 HB3 TYR A 21 20.566 2.754 -5.497 1.00 6.06 H new ATOM 0 HD1 TYR A 21 17.136 3.052 -6.961 1.00 6.01 H new ATOM 0 HD2 TYR A 21 21.328 3.297 -7.672 1.00 6.13 H new ATOM 0 HE1 TYR A 21 16.702 3.975 -9.195 1.00 6.36 H new ATOM 0 HE2 TYR A 21 20.897 4.219 -9.906 1.00 6.47 H new ATOM 0 HH TYR A 21 19.385 4.852 -11.385 1.00 7.29 H new ATOM 350 N VAL A 22 20.014 0.062 -3.616 1.00 5.96 N ATOM 351 CA VAL A 22 20.929 -0.623 -2.712 1.00 5.81 C ATOM 352 C VAL A 22 20.939 -2.119 -3.019 1.00 6.77 C ATOM 353 O VAL A 22 21.927 -2.812 -2.776 1.00 6.77 O ATOM 354 CB VAL A 22 20.573 -0.370 -1.229 1.00 5.93 C ATOM 355 CG1 VAL A 22 21.485 -1.157 -0.296 1.00 6.61 C ATOM 356 CG2 VAL A 22 20.657 1.120 -0.919 1.00 5.41 C ATOM 0 H VAL A 22 19.103 0.281 -3.212 1.00 5.96 H new ATOM 0 HA VAL A 22 21.928 -0.217 -2.874 1.00 5.81 H new ATOM 0 HB VAL A 22 19.552 -0.714 -1.063 1.00 5.93 H new ATOM 0 HG11 VAL A 22 21.208 -0.956 0.739 1.00 6.61 H new ATOM 0 HG12 VAL A 22 21.381 -2.223 -0.499 1.00 6.61 H new ATOM 0 HG13 VAL A 22 22.520 -0.856 -0.459 1.00 6.61 H new ATOM 0 HG21 VAL A 22 20.405 1.289 0.128 1.00 5.41 H new ATOM 0 HG22 VAL A 22 21.670 1.475 -1.110 1.00 5.41 H new ATOM 0 HG23 VAL A 22 19.957 1.664 -1.553 1.00 5.41 H new ATOM 366 N ASP A 23 19.843 -2.607 -3.592 1.00 7.71 N ATOM 367 CA ASP A 23 19.795 -3.973 -4.099 1.00 8.82 C ATOM 368 C ASP A 23 20.831 -4.128 -5.200 1.00 8.87 C ATOM 369 O ASP A 23 21.495 -5.154 -5.310 1.00 9.30 O ATOM 370 CB ASP A 23 18.401 -4.297 -4.641 1.00 9.88 C ATOM 371 CG ASP A 23 18.288 -5.704 -5.191 1.00 11.09 C ATOM 372 OD1 ASP A 23 18.461 -5.890 -6.414 1.00 11.57 O ATOM 373 OD2 ASP A 23 18.007 -6.633 -4.406 1.00 11.68 O ATOM 0 H ASP A 23 18.979 -2.079 -3.716 1.00 7.71 H new ATOM 0 HA ASP A 23 20.013 -4.666 -3.286 1.00 8.82 H new ATOM 0 HB2 ASP A 23 17.669 -4.165 -3.845 1.00 9.88 H new ATOM 0 HB3 ASP A 23 18.149 -3.585 -5.427 1.00 9.88 H new ATOM 378 N ARG A 24 20.989 -3.066 -5.980 1.00 8.57 N ATOM 379 CA ARG A 24 21.948 -3.038 -7.075 1.00 8.91 C ATOM 380 C ARG A 24 23.361 -3.006 -6.517 1.00 8.10 C ATOM 381 O ARG A 24 24.282 -3.597 -7.081 1.00 8.53 O ATOM 382 CB ARG A 24 21.715 -1.804 -7.942 1.00 9.20 C ATOM 383 CG ARG A 24 20.272 -1.633 -8.378 1.00 9.35 C ATOM 384 CD ARG A 24 20.030 -0.238 -8.914 1.00 9.42 C ATOM 385 NE ARG A 24 18.615 0.005 -9.190 1.00 10.13 N ATOM 386 CZ ARG A 24 18.155 0.624 -10.276 1.00 10.62 C ATOM 387 NH1 ARG A 24 18.991 1.021 -11.229 1.00 10.53 N ATOM 388 NH2 ARG A 24 16.856 0.841 -10.408 1.00 11.36 N ATOM 0 H ARG A 24 20.457 -2.202 -5.871 1.00 8.57 H new ATOM 0 HA ARG A 24 21.817 -3.933 -7.684 1.00 8.91 H new ATOM 0 HB2 ARG A 24 22.026 -0.918 -7.389 1.00 9.20 H new ATOM 0 HB3 ARG A 24 22.348 -1.867 -8.827 1.00 9.20 H new ATOM 0 HG2 ARG A 24 20.030 -2.368 -9.145 1.00 9.35 H new ATOM 0 HG3 ARG A 24 19.608 -1.823 -7.534 1.00 9.35 H new ATOM 0 HD2 ARG A 24 20.390 0.495 -8.192 1.00 9.42 H new ATOM 0 HD3 ARG A 24 20.607 -0.095 -9.828 1.00 9.42 H new ATOM 0 HE ARG A 24 17.934 -0.322 -8.505 1.00 10.13 H new ATOM 0 HH11 ARG A 24 19.992 0.852 -11.132 1.00 10.53 H new ATOM 0 HH12 ARG A 24 18.632 1.494 -12.058 1.00 10.53 H new ATOM 0 HH21 ARG A 24 16.211 0.535 -9.680 1.00 11.36 H new ATOM 0 HH22 ARG A 24 16.500 1.315 -11.238 1.00 11.36 H new ATOM 402 N PHE A 25 23.511 -2.309 -5.395 1.00 7.02 N ATOM 403 CA PHE A 25 24.779 -2.226 -4.694 1.00 6.32 C ATOM 404 C PHE A 25 25.216 -3.614 -4.238 1.00 6.59 C ATOM 405 O PHE A 25 26.400 -3.938 -4.232 1.00 6.62 O ATOM 406 CB PHE A 25 24.632 -1.289 -3.494 1.00 5.33 C ATOM 407 CG PHE A 25 25.919 -0.993 -2.784 1.00 4.98 C ATOM 408 CD1 PHE A 25 26.784 -0.019 -3.258 1.00 4.85 C ATOM 409 CD2 PHE A 25 26.265 -1.694 -1.644 1.00 5.26 C ATOM 410 CE1 PHE A 25 27.970 0.248 -2.600 1.00 4.99 C ATOM 411 CE2 PHE A 25 27.446 -1.432 -0.984 1.00 5.43 C ATOM 412 CZ PHE A 25 28.303 -0.436 -1.478 1.00 5.29 C ATOM 0 H PHE A 25 22.755 -1.788 -4.950 1.00 7.02 H new ATOM 0 HA PHE A 25 25.542 -1.830 -5.364 1.00 6.32 H new ATOM 0 HB2 PHE A 25 24.192 -0.351 -3.832 1.00 5.33 H new ATOM 0 HB3 PHE A 25 23.932 -1.732 -2.785 1.00 5.33 H new ATOM 0 HD1 PHE A 25 26.529 0.536 -4.149 1.00 4.85 H new ATOM 0 HD2 PHE A 25 25.601 -2.457 -1.266 1.00 5.26 H new ATOM 0 HE1 PHE A 25 28.636 1.007 -2.983 1.00 4.99 H new ATOM 0 HE2 PHE A 25 27.709 -1.987 -0.096 1.00 5.43 H new ATOM 0 HZ PHE A 25 29.227 -0.215 -0.965 1.00 5.29 H new ATOM 422 N TYR A 26 24.241 -4.438 -3.884 1.00 7.06 N ATOM 423 CA TYR A 26 24.514 -5.797 -3.452 1.00 7.60 C ATOM 424 C TYR A 26 24.709 -6.700 -4.668 1.00 8.54 C ATOM 425 O TYR A 26 25.545 -7.605 -4.662 1.00 8.87 O ATOM 426 CB TYR A 26 23.368 -6.306 -2.572 1.00 8.10 C ATOM 427 CG TYR A 26 23.563 -7.722 -2.077 1.00 8.84 C ATOM 428 CD1 TYR A 26 23.012 -8.798 -2.757 1.00 9.57 C ATOM 429 CD2 TYR A 26 24.308 -7.983 -0.933 1.00 9.04 C ATOM 430 CE1 TYR A 26 23.196 -10.093 -2.315 1.00 10.37 C ATOM 431 CE2 TYR A 26 24.495 -9.276 -0.484 1.00 9.88 C ATOM 432 CZ TYR A 26 23.937 -10.326 -1.180 1.00 10.50 C ATOM 433 OH TYR A 26 24.124 -11.619 -0.742 1.00 11.44 O ATOM 0 H TYR A 26 23.252 -4.187 -3.888 1.00 7.06 H new ATOM 0 HA TYR A 26 25.431 -5.811 -2.863 1.00 7.60 H new ATOM 0 HB2 TYR A 26 23.259 -5.643 -1.714 1.00 8.10 H new ATOM 0 HB3 TYR A 26 22.437 -6.253 -3.137 1.00 8.10 H new ATOM 0 HD1 TYR A 26 22.429 -8.620 -3.648 1.00 9.57 H new ATOM 0 HD2 TYR A 26 24.748 -7.162 -0.386 1.00 9.04 H new ATOM 0 HE1 TYR A 26 22.760 -10.919 -2.858 1.00 10.37 H new ATOM 0 HE2 TYR A 26 25.075 -9.463 0.408 1.00 9.88 H new ATOM 0 HH TYR A 26 24.671 -11.613 0.071 1.00 11.44 H new ATOM 443 N LYS A 27 23.936 -6.435 -5.714 1.00 9.08 N ATOM 444 CA LYS A 27 24.027 -7.185 -6.960 1.00 10.12 C ATOM 445 C LYS A 27 25.413 -7.066 -7.585 1.00 10.01 C ATOM 446 O LYS A 27 25.978 -8.057 -8.046 1.00 10.69 O ATOM 447 CB LYS A 27 22.973 -6.693 -7.954 1.00 10.87 C ATOM 448 CG LYS A 27 21.550 -7.126 -7.633 1.00 11.19 C ATOM 449 CD LYS A 27 21.404 -8.640 -7.636 1.00 12.15 C ATOM 450 CE LYS A 27 19.941 -9.062 -7.643 1.00 12.87 C ATOM 451 NZ LYS A 27 19.186 -8.506 -6.491 1.00 13.47 N ATOM 0 H LYS A 27 23.231 -5.697 -5.723 1.00 9.08 H new ATOM 0 HA LYS A 27 23.846 -8.234 -6.725 1.00 10.12 H new ATOM 0 HB2 LYS A 27 23.008 -5.604 -7.992 1.00 10.87 H new ATOM 0 HB3 LYS A 27 23.233 -7.055 -8.949 1.00 10.87 H new ATOM 0 HG2 LYS A 27 21.263 -6.735 -6.657 1.00 11.19 H new ATOM 0 HG3 LYS A 27 20.866 -6.694 -8.363 1.00 11.19 H new ATOM 0 HD2 LYS A 27 21.907 -9.053 -8.511 1.00 12.15 H new ATOM 0 HD3 LYS A 27 21.899 -9.056 -6.758 1.00 12.15 H new ATOM 0 HE2 LYS A 27 19.475 -8.733 -8.572 1.00 12.87 H new ATOM 0 HE3 LYS A 27 19.879 -10.150 -7.623 1.00 12.87 H new ATOM 0 HZ1 LYS A 27 18.462 -9.188 -6.189 1.00 13.47 H new ATOM 0 HZ2 LYS A 27 19.840 -8.323 -5.703 1.00 13.47 H new ATOM 0 HZ3 LYS A 27 18.727 -7.616 -6.773 1.00 13.47 H new ATOM 465 N THR A 28 25.963 -5.860 -7.595 1.00 9.28 N ATOM 466 CA THR A 28 27.274 -5.635 -8.180 1.00 9.35 C ATOM 467 C THR A 28 28.360 -6.317 -7.344 1.00 8.90 C ATOM 468 O THR A 28 29.397 -6.731 -7.868 1.00 9.29 O ATOM 469 CB THR A 28 27.579 -4.126 -8.343 1.00 9.07 C ATOM 470 OG1 THR A 28 28.751 -3.938 -9.144 1.00 9.27 O ATOM 471 CG2 THR A 28 27.771 -3.444 -6.998 1.00 8.30 C ATOM 0 H THR A 28 25.523 -5.026 -7.206 1.00 9.28 H new ATOM 0 HA THR A 28 27.269 -6.077 -9.176 1.00 9.35 H new ATOM 0 HB THR A 28 26.720 -3.672 -8.838 1.00 9.07 H new ATOM 0 HG1 THR A 28 28.931 -2.980 -9.240 1.00 9.27 H new ATOM 0 HG21 THR A 28 27.983 -2.386 -7.153 1.00 8.30 H new ATOM 0 HG22 THR A 28 26.863 -3.548 -6.404 1.00 8.30 H new ATOM 0 HG23 THR A 28 28.605 -3.908 -6.471 1.00 8.30 H new ATOM 479 N LEU A 29 28.098 -6.473 -6.047 1.00 8.24 N ATOM 480 CA LEU A 29 29.028 -7.154 -5.159 1.00 8.03 C ATOM 481 C LEU A 29 28.980 -8.654 -5.405 1.00 8.87 C ATOM 482 O LEU A 29 29.941 -9.370 -5.131 1.00 9.09 O ATOM 483 CB LEU A 29 28.706 -6.852 -3.694 1.00 7.48 C ATOM 484 CG LEU A 29 28.912 -5.398 -3.265 1.00 7.10 C ATOM 485 CD1 LEU A 29 28.538 -5.219 -1.802 1.00 6.93 C ATOM 486 CD2 LEU A 29 30.351 -4.966 -3.504 1.00 6.99 C ATOM 0 H LEU A 29 27.250 -6.136 -5.592 1.00 8.24 H new ATOM 0 HA LEU A 29 30.033 -6.788 -5.370 1.00 8.03 H new ATOM 0 HB2 LEU A 29 27.668 -7.126 -3.503 1.00 7.48 H new ATOM 0 HB3 LEU A 29 29.325 -7.491 -3.064 1.00 7.48 H new ATOM 0 HG LEU A 29 28.261 -4.766 -3.869 1.00 7.10 H new ATOM 0 HD11 LEU A 29 28.690 -4.179 -1.512 1.00 6.93 H new ATOM 0 HD12 LEU A 29 27.491 -5.486 -1.659 1.00 6.93 H new ATOM 0 HD13 LEU A 29 29.164 -5.863 -1.185 1.00 6.93 H new ATOM 0 HD21 LEU A 29 30.476 -3.929 -3.192 1.00 6.99 H new ATOM 0 HD22 LEU A 29 31.022 -5.602 -2.927 1.00 6.99 H new ATOM 0 HD23 LEU A 29 30.587 -5.057 -4.564 1.00 6.99 H new ATOM 498 N ARG A 30 27.851 -9.119 -5.922 1.00 9.50 N ATOM 499 CA ARG A 30 27.702 -10.517 -6.293 1.00 10.45 C ATOM 500 C ARG A 30 28.520 -10.830 -7.535 1.00 10.98 C ATOM 501 O ARG A 30 29.048 -11.930 -7.682 1.00 11.61 O ATOM 502 CB ARG A 30 26.237 -10.861 -6.556 1.00 11.14 C ATOM 503 CG ARG A 30 25.392 -10.984 -5.303 1.00 11.16 C ATOM 504 CD ARG A 30 23.986 -11.444 -5.646 1.00 11.94 C ATOM 505 NE ARG A 30 24.002 -12.664 -6.452 1.00 12.66 N ATOM 506 CZ ARG A 30 22.917 -13.231 -6.977 1.00 13.44 C ATOM 507 NH1 ARG A 30 21.714 -12.719 -6.739 1.00 13.60 N ATOM 508 NH2 ARG A 30 23.040 -14.318 -7.728 1.00 14.19 N ATOM 0 H ARG A 30 27.024 -8.547 -6.094 1.00 9.50 H new ATOM 0 HA ARG A 30 28.063 -11.119 -5.459 1.00 10.45 H new ATOM 0 HB2 ARG A 30 25.805 -10.093 -7.198 1.00 11.14 H new ATOM 0 HB3 ARG A 30 26.189 -11.801 -7.106 1.00 11.14 H new ATOM 0 HG2 ARG A 30 25.854 -11.692 -4.615 1.00 11.16 H new ATOM 0 HG3 ARG A 30 25.351 -10.023 -4.791 1.00 11.16 H new ATOM 0 HD2 ARG A 30 23.426 -11.621 -4.728 1.00 11.94 H new ATOM 0 HD3 ARG A 30 23.466 -10.655 -6.189 1.00 11.94 H new ATOM 0 HE ARG A 30 24.903 -13.110 -6.623 1.00 12.66 H new ATOM 0 HH11 ARG A 30 21.620 -11.890 -6.153 1.00 13.60 H new ATOM 0 HH12 ARG A 30 20.885 -13.155 -7.142 1.00 13.60 H new ATOM 0 HH21 ARG A 30 23.963 -14.716 -7.901 1.00 14.19 H new ATOM 0 HH22 ARG A 30 22.212 -14.755 -8.132 1.00 14.19 H new ATOM 522 N ALA A 31 28.613 -9.860 -8.434 1.00 10.87 N ATOM 523 CA ALA A 31 29.369 -10.040 -9.662 1.00 11.56 C ATOM 524 C ALA A 31 30.857 -10.159 -9.360 1.00 11.34 C ATOM 525 O ALA A 31 31.489 -11.158 -9.703 1.00 11.93 O ATOM 526 CB ALA A 31 29.104 -8.889 -10.620 1.00 11.84 C ATOM 0 H ALA A 31 28.175 -8.944 -8.335 1.00 10.87 H new ATOM 0 HA ALA A 31 29.043 -10.965 -10.138 1.00 11.56 H new ATOM 0 HB1 ALA A 31 29.677 -9.038 -11.535 1.00 11.84 H new ATOM 0 HB2 ALA A 31 28.041 -8.852 -10.859 1.00 11.84 H new ATOM 0 HB3 ALA A 31 29.403 -7.951 -10.153 1.00 11.84 H new ATOM 532 N GLU A 32 31.404 -9.140 -8.707 1.00 10.61 N ATOM 533 CA GLU A 32 32.803 -9.148 -8.287 1.00 10.60 C ATOM 534 C GLU A 32 32.943 -9.751 -6.885 1.00 10.54 C ATOM 535 O GLU A 32 33.674 -9.232 -6.036 1.00 10.89 O ATOM 536 CB GLU A 32 33.367 -7.728 -8.318 1.00 10.22 C ATOM 537 CG GLU A 32 32.612 -6.766 -7.424 1.00 9.56 C ATOM 538 CD GLU A 32 33.095 -5.340 -7.566 1.00 9.48 C ATOM 539 OE1 GLU A 32 32.634 -4.640 -8.489 1.00 9.47 O ATOM 540 OE2 GLU A 32 33.935 -4.908 -6.747 1.00 9.62 O ATOM 0 H GLU A 32 30.897 -8.292 -8.455 1.00 10.61 H new ATOM 0 HA GLU A 32 33.372 -9.767 -8.981 1.00 10.60 H new ATOM 0 HB2 GLU A 32 34.413 -7.753 -8.013 1.00 10.22 H new ATOM 0 HB3 GLU A 32 33.343 -7.357 -9.343 1.00 10.22 H new ATOM 0 HG2 GLU A 32 31.549 -6.811 -7.663 1.00 9.56 H new ATOM 0 HG3 GLU A 32 32.719 -7.080 -6.386 1.00 9.56 H new ATOM 547 N GLN A 33 32.241 -10.851 -6.653 1.00 10.31 N ATOM 548 CA GLN A 33 32.205 -11.489 -5.338 1.00 10.45 C ATOM 549 C GLN A 33 33.584 -11.994 -4.906 1.00 10.39 C ATOM 550 O GLN A 33 33.797 -12.315 -3.737 1.00 10.09 O ATOM 551 CB GLN A 33 31.198 -12.641 -5.335 1.00 10.44 C ATOM 552 CG GLN A 33 31.542 -13.766 -6.296 1.00 10.76 C ATOM 553 CD GLN A 33 30.485 -14.853 -6.325 1.00 11.12 C ATOM 554 OE1 GLN A 33 29.296 -14.594 -6.128 1.00 11.23 O ATOM 555 NE2 GLN A 33 30.913 -16.082 -6.561 1.00 11.52 N ATOM 0 H GLN A 33 31.683 -11.326 -7.363 1.00 10.31 H new ATOM 0 HA GLN A 33 31.892 -10.733 -4.618 1.00 10.45 H new ATOM 0 HB2 GLN A 33 31.130 -13.047 -4.326 1.00 10.44 H new ATOM 0 HB3 GLN A 33 30.213 -12.249 -5.588 1.00 10.44 H new ATOM 0 HG2 GLN A 33 31.665 -13.357 -7.299 1.00 10.76 H new ATOM 0 HG3 GLN A 33 32.499 -14.203 -6.010 1.00 10.76 H new ATOM 0 HE21 GLN A 33 31.906 -16.255 -6.719 1.00 11.52 H new ATOM 0 HE22 GLN A 33 30.250 -16.857 -6.585 1.00 11.52 H new ATOM 564 N ALA A 34 34.517 -12.048 -5.845 1.00 10.90 N ATOM 565 CA ALA A 34 35.865 -12.510 -5.551 1.00 11.19 C ATOM 566 C ALA A 34 36.643 -11.445 -4.786 1.00 11.09 C ATOM 567 O ALA A 34 37.489 -11.755 -3.950 1.00 11.27 O ATOM 568 CB ALA A 34 36.592 -12.873 -6.837 1.00 11.97 C ATOM 0 H ALA A 34 34.365 -11.778 -6.817 1.00 10.90 H new ATOM 0 HA ALA A 34 35.794 -13.400 -4.926 1.00 11.19 H new ATOM 0 HB1 ALA A 34 37.599 -13.217 -6.601 1.00 11.97 H new ATOM 0 HB2 ALA A 34 36.049 -13.666 -7.351 1.00 11.97 H new ATOM 0 HB3 ALA A 34 36.650 -11.996 -7.482 1.00 11.97 H new ATOM 574 N SER A 35 36.329 -10.186 -5.057 1.00 11.05 N ATOM 575 CA SER A 35 37.034 -9.069 -4.450 1.00 11.21 C ATOM 576 C SER A 35 36.486 -8.755 -3.054 1.00 10.64 C ATOM 577 O SER A 35 36.114 -7.616 -2.765 1.00 10.19 O ATOM 578 CB SER A 35 36.912 -7.843 -5.357 1.00 11.48 C ATOM 579 OG SER A 35 37.294 -8.156 -6.685 1.00 12.02 O ATOM 0 H SER A 35 35.585 -9.913 -5.698 1.00 11.05 H new ATOM 0 HA SER A 35 38.084 -9.340 -4.337 1.00 11.21 H new ATOM 0 HB2 SER A 35 35.885 -7.479 -5.346 1.00 11.48 H new ATOM 0 HB3 SER A 35 37.540 -7.038 -4.974 1.00 11.48 H new ATOM 0 HG SER A 35 37.206 -7.358 -7.247 1.00 12.02 H new ATOM 585 N GLN A 36 36.449 -9.763 -2.183 1.00 10.85 N ATOM 586 CA GLN A 36 35.941 -9.585 -0.823 1.00 10.51 C ATOM 587 C GLN A 36 36.872 -8.684 -0.021 1.00 10.66 C ATOM 588 O GLN A 36 36.436 -7.923 0.845 1.00 10.26 O ATOM 589 CB GLN A 36 35.782 -10.928 -0.115 1.00 11.11 C ATOM 590 CG GLN A 36 37.055 -11.755 -0.044 1.00 11.25 C ATOM 591 CD GLN A 36 36.899 -12.999 0.807 1.00 11.80 C ATOM 592 OE1 GLN A 36 35.811 -13.569 0.908 1.00 12.14 O ATOM 593 NE2 GLN A 36 37.987 -13.431 1.426 1.00 12.09 N ATOM 0 H GLN A 36 36.764 -10.710 -2.394 1.00 10.85 H new ATOM 0 HA GLN A 36 34.960 -9.114 -0.892 1.00 10.51 H new ATOM 0 HB2 GLN A 36 35.422 -10.750 0.898 1.00 11.11 H new ATOM 0 HB3 GLN A 36 35.015 -11.507 -0.629 1.00 11.11 H new ATOM 0 HG2 GLN A 36 37.352 -12.045 -1.052 1.00 11.25 H new ATOM 0 HG3 GLN A 36 37.860 -11.141 0.361 1.00 11.25 H new ATOM 0 HE21 GLN A 36 38.869 -12.930 1.316 1.00 12.09 H new ATOM 0 HE22 GLN A 36 37.943 -14.264 2.012 1.00 12.09 H new ATOM 602 N GLU A 37 38.156 -8.794 -0.323 1.00 11.37 N ATOM 603 CA GLU A 37 39.179 -7.946 0.276 1.00 11.85 C ATOM 604 C GLU A 37 38.867 -6.467 0.059 1.00 11.40 C ATOM 605 O GLU A 37 39.151 -5.630 0.913 1.00 11.56 O ATOM 606 CB GLU A 37 40.547 -8.285 -0.318 1.00 12.76 C ATOM 607 CG GLU A 37 40.584 -8.203 -1.836 1.00 12.82 C ATOM 608 CD GLU A 37 41.882 -8.707 -2.419 1.00 13.79 C ATOM 609 OE1 GLU A 37 42.140 -9.923 -2.340 1.00 14.44 O ATOM 610 OE2 GLU A 37 42.658 -7.886 -2.958 1.00 13.98 O ATOM 0 H GLU A 37 38.520 -9.474 -0.991 1.00 11.37 H new ATOM 0 HA GLU A 37 39.192 -8.134 1.350 1.00 11.85 H new ATOM 0 HB2 GLU A 37 41.292 -7.604 0.093 1.00 12.76 H new ATOM 0 HB3 GLU A 37 40.830 -9.291 -0.009 1.00 12.76 H new ATOM 0 HG2 GLU A 37 39.757 -8.783 -2.247 1.00 12.82 H new ATOM 0 HG3 GLU A 37 40.431 -7.168 -2.143 1.00 12.82 H new ATOM 617 N VAL A 38 38.261 -6.158 -1.078 1.00 11.01 N ATOM 618 CA VAL A 38 37.912 -4.787 -1.408 1.00 10.78 C ATOM 619 C VAL A 38 36.607 -4.401 -0.725 1.00 9.91 C ATOM 620 O VAL A 38 36.462 -3.289 -0.223 1.00 9.82 O ATOM 621 CB VAL A 38 37.775 -4.591 -2.936 1.00 10.99 C ATOM 622 CG1 VAL A 38 37.470 -3.139 -3.274 1.00 11.05 C ATOM 623 CG2 VAL A 38 39.036 -5.053 -3.653 1.00 11.61 C ATOM 0 H VAL A 38 38.001 -6.842 -1.789 1.00 11.01 H new ATOM 0 HA VAL A 38 38.717 -4.144 -1.052 1.00 10.78 H new ATOM 0 HB VAL A 38 36.940 -5.202 -3.280 1.00 10.99 H new ATOM 0 HG11 VAL A 38 37.379 -3.028 -4.355 1.00 11.05 H new ATOM 0 HG12 VAL A 38 36.535 -2.843 -2.799 1.00 11.05 H new ATOM 0 HG13 VAL A 38 38.278 -2.504 -2.911 1.00 11.05 H new ATOM 0 HG21 VAL A 38 38.918 -4.906 -4.727 1.00 11.61 H new ATOM 0 HG22 VAL A 38 39.889 -4.474 -3.299 1.00 11.61 H new ATOM 0 HG23 VAL A 38 39.205 -6.110 -3.447 1.00 11.61 H new ATOM 633 N LYS A 39 35.680 -5.358 -0.677 1.00 9.40 N ATOM 634 CA LYS A 39 34.351 -5.137 -0.111 1.00 8.62 C ATOM 635 C LYS A 39 34.429 -4.586 1.301 1.00 8.49 C ATOM 636 O LYS A 39 33.679 -3.682 1.650 1.00 8.00 O ATOM 637 CB LYS A 39 33.550 -6.437 -0.083 1.00 8.48 C ATOM 638 CG LYS A 39 33.248 -7.015 -1.450 1.00 8.87 C ATOM 639 CD LYS A 39 32.307 -8.201 -1.341 1.00 8.96 C ATOM 640 CE LYS A 39 31.917 -8.739 -2.705 1.00 9.53 C ATOM 641 NZ LYS A 39 30.933 -9.847 -2.597 1.00 9.78 N ATOM 0 H LYS A 39 35.829 -6.304 -1.028 1.00 9.40 H new ATOM 0 HA LYS A 39 33.854 -4.408 -0.751 1.00 8.62 H new ATOM 0 HB2 LYS A 39 34.101 -7.177 0.497 1.00 8.48 H new ATOM 0 HB3 LYS A 39 32.610 -6.259 0.439 1.00 8.48 H new ATOM 0 HG2 LYS A 39 32.801 -6.248 -2.083 1.00 8.87 H new ATOM 0 HG3 LYS A 39 34.176 -7.325 -1.931 1.00 8.87 H new ATOM 0 HD2 LYS A 39 32.784 -8.991 -0.762 1.00 8.96 H new ATOM 0 HD3 LYS A 39 31.410 -7.904 -0.797 1.00 8.96 H new ATOM 0 HE2 LYS A 39 31.494 -7.934 -3.307 1.00 9.53 H new ATOM 0 HE3 LYS A 39 32.807 -9.092 -3.225 1.00 9.53 H new ATOM 0 HZ1 LYS A 39 30.347 -9.876 -3.456 1.00 9.78 H new ATOM 0 HZ2 LYS A 39 31.438 -10.750 -2.492 1.00 9.78 H new ATOM 0 HZ3 LYS A 39 30.325 -9.692 -1.768 1.00 9.78 H new ATOM 655 N ASN A 40 35.341 -5.137 2.095 1.00 9.12 N ATOM 656 CA ASN A 40 35.507 -4.753 3.500 1.00 9.38 C ATOM 657 C ASN A 40 35.449 -3.243 3.692 1.00 9.55 C ATOM 658 O ASN A 40 34.635 -2.737 4.465 1.00 9.39 O ATOM 659 CB ASN A 40 36.835 -5.287 4.028 1.00 10.35 C ATOM 660 CG ASN A 40 37.100 -4.894 5.471 1.00 10.85 C ATOM 661 OD1 ASN A 40 37.731 -3.871 5.744 1.00 10.92 O ATOM 662 ND2 ASN A 40 36.619 -5.700 6.405 1.00 11.43 N ATOM 0 H ASN A 40 35.988 -5.863 1.787 1.00 9.12 H new ATOM 0 HA ASN A 40 34.680 -5.189 4.059 1.00 9.38 H new ATOM 0 HB2 ASN A 40 36.842 -6.374 3.946 1.00 10.35 H new ATOM 0 HB3 ASN A 40 37.645 -4.915 3.401 1.00 10.35 H new ATOM 0 HD21 ASN A 40 36.766 -5.483 7.391 1.00 11.43 H new ATOM 0 HD22 ASN A 40 36.102 -6.538 6.139 1.00 11.43 H new ATOM 669 N ALA A 41 36.309 -2.531 2.985 1.00 10.04 N ATOM 670 CA ALA A 41 36.334 -1.082 3.078 1.00 10.52 C ATOM 671 C ALA A 41 35.278 -0.471 2.170 1.00 9.85 C ATOM 672 O ALA A 41 34.534 0.424 2.577 1.00 10.08 O ATOM 673 CB ALA A 41 37.712 -0.547 2.724 1.00 11.43 C ATOM 0 H ALA A 41 36.995 -2.929 2.344 1.00 10.04 H new ATOM 0 HA ALA A 41 36.110 -0.801 4.107 1.00 10.52 H new ATOM 0 HB1 ALA A 41 37.711 0.540 2.799 1.00 11.43 H new ATOM 0 HB2 ALA A 41 38.450 -0.958 3.413 1.00 11.43 H new ATOM 0 HB3 ALA A 41 37.965 -0.840 1.705 1.00 11.43 H new ATOM 679 N ALA A 42 35.197 -0.987 0.950 1.00 9.19 N ATOM 680 CA ALA A 42 34.340 -0.413 -0.076 1.00 8.71 C ATOM 681 C ALA A 42 32.873 -0.414 0.331 1.00 7.86 C ATOM 682 O ALA A 42 32.239 0.629 0.353 1.00 7.82 O ATOM 683 CB ALA A 42 34.519 -1.148 -1.397 1.00 8.58 C ATOM 0 H ALA A 42 35.720 -1.809 0.647 1.00 9.19 H new ATOM 0 HA ALA A 42 34.644 0.626 -0.200 1.00 8.71 H new ATOM 0 HB1 ALA A 42 33.870 -0.704 -2.151 1.00 8.58 H new ATOM 0 HB2 ALA A 42 35.557 -1.069 -1.720 1.00 8.58 H new ATOM 0 HB3 ALA A 42 34.259 -2.198 -1.267 1.00 8.58 H new ATOM 689 N THR A 43 32.355 -1.575 0.705 1.00 7.35 N ATOM 690 CA THR A 43 30.916 -1.737 0.920 1.00 6.63 C ATOM 691 C THR A 43 30.394 -0.766 1.986 1.00 6.87 C ATOM 692 O THR A 43 29.257 -0.301 1.915 1.00 6.42 O ATOM 693 CB THR A 43 30.554 -3.198 1.307 1.00 6.60 C ATOM 694 OG1 THR A 43 29.156 -3.438 1.092 1.00 6.93 O ATOM 695 CG2 THR A 43 30.887 -3.494 2.762 1.00 6.92 C ATOM 0 H THR A 43 32.904 -2.419 0.867 1.00 7.35 H new ATOM 0 HA THR A 43 30.429 -1.504 -0.027 1.00 6.63 H new ATOM 0 HB THR A 43 31.149 -3.856 0.673 1.00 6.60 H new ATOM 0 HG1 THR A 43 28.941 -4.362 1.338 1.00 6.93 H new ATOM 0 HG21 THR A 43 30.619 -4.525 2.994 1.00 6.92 H new ATOM 0 HG22 THR A 43 31.955 -3.350 2.927 1.00 6.92 H new ATOM 0 HG23 THR A 43 30.326 -2.819 3.408 1.00 6.92 H new ATOM 703 N GLU A 44 31.243 -0.439 2.952 1.00 7.76 N ATOM 704 CA GLU A 44 30.845 0.417 4.059 1.00 8.32 C ATOM 705 C GLU A 44 30.956 1.892 3.689 1.00 8.48 C ATOM 706 O GLU A 44 30.053 2.678 3.969 1.00 8.35 O ATOM 707 CB GLU A 44 31.710 0.116 5.279 1.00 9.53 C ATOM 708 CG GLU A 44 31.671 -1.341 5.699 1.00 10.03 C ATOM 709 CD GLU A 44 30.316 -1.770 6.233 1.00 11.07 C ATOM 710 OE1 GLU A 44 30.165 -1.918 7.466 1.00 11.69 O ATOM 711 OE2 GLU A 44 29.386 -1.953 5.418 1.00 11.42 O ATOM 0 H GLU A 44 32.212 -0.755 2.990 1.00 7.76 H new ATOM 0 HA GLU A 44 29.801 0.209 4.292 1.00 8.32 H new ATOM 0 HB2 GLU A 44 32.741 0.397 5.063 1.00 9.53 H new ATOM 0 HB3 GLU A 44 31.379 0.736 6.112 1.00 9.53 H new ATOM 0 HG2 GLU A 44 31.933 -1.966 4.846 1.00 10.03 H new ATOM 0 HG3 GLU A 44 32.428 -1.513 6.464 1.00 10.03 H new ATOM 718 N THR A 45 32.055 2.258 3.049 1.00 8.95 N ATOM 719 CA THR A 45 32.337 3.655 2.756 1.00 9.49 C ATOM 720 C THR A 45 31.634 4.086 1.473 1.00 8.79 C ATOM 721 O THR A 45 31.297 5.252 1.296 1.00 9.04 O ATOM 722 CB THR A 45 33.861 3.929 2.651 1.00 10.61 C ATOM 723 OG1 THR A 45 34.113 5.338 2.658 1.00 11.34 O ATOM 724 CG2 THR A 45 34.455 3.323 1.387 1.00 11.01 C ATOM 0 H THR A 45 32.768 1.606 2.722 1.00 8.95 H new ATOM 0 HA THR A 45 31.952 4.244 3.588 1.00 9.49 H new ATOM 0 HB THR A 45 34.335 3.462 3.514 1.00 10.61 H new ATOM 0 HG1 THR A 45 35.078 5.498 2.593 1.00 11.34 H new ATOM 0 HG21 THR A 45 35.523 3.536 1.349 1.00 11.01 H new ATOM 0 HG22 THR A 45 34.300 2.244 1.393 1.00 11.01 H new ATOM 0 HG23 THR A 45 33.968 3.755 0.513 1.00 11.01 H new ATOM 732 N LEU A 46 31.399 3.131 0.591 1.00 8.07 N ATOM 733 CA LEU A 46 30.719 3.392 -0.661 1.00 7.71 C ATOM 734 C LEU A 46 29.248 3.647 -0.429 1.00 6.77 C ATOM 735 O LEU A 46 28.716 4.650 -0.876 1.00 6.93 O ATOM 736 CB LEU A 46 30.897 2.212 -1.613 1.00 7.55 C ATOM 737 CG LEU A 46 31.814 2.470 -2.804 1.00 7.70 C ATOM 738 CD1 LEU A 46 31.177 3.458 -3.768 1.00 7.76 C ATOM 739 CD2 LEU A 46 33.154 2.989 -2.318 1.00 8.22 C ATOM 0 H LEU A 46 31.673 2.158 0.723 1.00 8.07 H new ATOM 0 HA LEU A 46 31.159 4.283 -1.109 1.00 7.71 H new ATOM 0 HB2 LEU A 46 31.291 1.367 -1.048 1.00 7.55 H new ATOM 0 HB3 LEU A 46 29.917 1.917 -1.987 1.00 7.55 H new ATOM 0 HG LEU A 46 31.970 1.532 -3.337 1.00 7.70 H new ATOM 0 HD11 LEU A 46 31.847 3.628 -4.610 1.00 7.76 H new ATOM 0 HD12 LEU A 46 30.232 3.054 -4.132 1.00 7.76 H new ATOM 0 HD13 LEU A 46 30.994 4.401 -3.254 1.00 7.76 H new ATOM 0 HD21 LEU A 46 33.805 3.172 -3.173 1.00 8.22 H new ATOM 0 HD22 LEU A 46 33.007 3.919 -1.769 1.00 8.22 H new ATOM 0 HD23 LEU A 46 33.614 2.250 -1.663 1.00 8.22 H new ATOM 751 N LEU A 47 28.598 2.749 0.296 1.00 5.99 N ATOM 752 CA LEU A 47 27.170 2.877 0.543 1.00 5.15 C ATOM 753 C LEU A 47 26.894 4.087 1.432 1.00 5.48 C ATOM 754 O LEU A 47 25.820 4.676 1.374 1.00 5.21 O ATOM 755 CB LEU A 47 26.618 1.600 1.185 1.00 4.73 C ATOM 756 CG LEU A 47 25.089 1.474 1.186 1.00 4.22 C ATOM 757 CD1 LEU A 47 24.554 1.373 -0.238 1.00 4.20 C ATOM 758 CD2 LEU A 47 24.658 0.266 2.005 1.00 4.34 C ATOM 0 H LEU A 47 29.033 1.930 0.721 1.00 5.99 H new ATOM 0 HA LEU A 47 26.664 3.025 -0.411 1.00 5.15 H new ATOM 0 HB2 LEU A 47 27.036 0.740 0.662 1.00 4.73 H new ATOM 0 HB3 LEU A 47 26.971 1.549 2.215 1.00 4.73 H new ATOM 0 HG LEU A 47 24.671 2.371 1.643 1.00 4.22 H new ATOM 0 HD11 LEU A 47 23.468 1.284 -0.213 1.00 4.20 H new ATOM 0 HD12 LEU A 47 24.833 2.267 -0.796 1.00 4.20 H new ATOM 0 HD13 LEU A 47 24.979 0.495 -0.725 1.00 4.20 H new ATOM 0 HD21 LEU A 47 23.571 0.190 1.996 1.00 4.34 H new ATOM 0 HD22 LEU A 47 25.089 -0.638 1.574 1.00 4.34 H new ATOM 0 HD23 LEU A 47 25.006 0.380 3.032 1.00 4.34 H new ATOM 770 N VAL A 48 27.879 4.463 2.240 1.00 6.32 N ATOM 771 CA VAL A 48 27.736 5.608 3.131 1.00 6.92 C ATOM 772 C VAL A 48 28.000 6.917 2.379 1.00 7.62 C ATOM 773 O VAL A 48 27.440 7.961 2.712 1.00 7.93 O ATOM 774 CB VAL A 48 28.675 5.487 4.359 1.00 7.91 C ATOM 775 CG1 VAL A 48 30.076 5.990 4.054 1.00 7.84 C ATOM 776 CG2 VAL A 48 28.098 6.212 5.559 1.00 8.67 C ATOM 0 H VAL A 48 28.783 3.993 2.296 1.00 6.32 H new ATOM 0 HA VAL A 48 26.708 5.619 3.495 1.00 6.92 H new ATOM 0 HB VAL A 48 28.752 4.427 4.599 1.00 7.91 H new ATOM 0 HG11 VAL A 48 30.701 5.887 4.941 1.00 7.84 H new ATOM 0 HG12 VAL A 48 30.503 5.405 3.239 1.00 7.84 H new ATOM 0 HG13 VAL A 48 30.030 7.039 3.762 1.00 7.84 H new ATOM 0 HG21 VAL A 48 28.777 6.111 6.406 1.00 8.67 H new ATOM 0 HG22 VAL A 48 27.971 7.268 5.320 1.00 8.67 H new ATOM 0 HG23 VAL A 48 27.131 5.779 5.815 1.00 8.67 H new ATOM 786 N GLN A 49 28.865 6.854 1.373 1.00 8.03 N ATOM 787 CA GLN A 49 29.158 8.011 0.537 1.00 8.97 C ATOM 788 C GLN A 49 28.092 8.182 -0.535 1.00 8.65 C ATOM 789 O GLN A 49 27.582 9.280 -0.758 1.00 9.36 O ATOM 790 CB GLN A 49 30.533 7.855 -0.120 1.00 9.65 C ATOM 791 CG GLN A 49 30.846 8.944 -1.133 1.00 10.72 C ATOM 792 CD GLN A 49 32.168 8.731 -1.839 1.00 11.48 C ATOM 793 OE1 GLN A 49 32.226 8.081 -2.882 1.00 11.55 O ATOM 794 NE2 GLN A 49 33.233 9.285 -1.290 1.00 12.22 N ATOM 0 H GLN A 49 29.377 6.010 1.116 1.00 8.03 H new ATOM 0 HA GLN A 49 29.163 8.898 1.171 1.00 8.97 H new ATOM 0 HB2 GLN A 49 31.300 7.859 0.655 1.00 9.65 H new ATOM 0 HB3 GLN A 49 30.583 6.885 -0.614 1.00 9.65 H new ATOM 0 HG2 GLN A 49 30.047 8.985 -1.873 1.00 10.72 H new ATOM 0 HG3 GLN A 49 30.861 9.910 -0.627 1.00 10.72 H new ATOM 0 HE21 GLN A 49 33.142 9.816 -0.424 1.00 12.22 H new ATOM 0 HE22 GLN A 49 34.147 9.182 -1.732 1.00 12.22 H new ATOM 803 N ASN A 50 27.765 7.082 -1.195 1.00 7.73 N ATOM 804 CA ASN A 50 26.813 7.085 -2.302 1.00 7.72 C ATOM 805 C ASN A 50 25.384 7.339 -1.834 1.00 7.17 C ATOM 806 O ASN A 50 24.510 7.660 -2.642 1.00 7.27 O ATOM 807 CB ASN A 50 26.876 5.754 -3.055 1.00 7.34 C ATOM 808 CG ASN A 50 28.065 5.657 -3.993 1.00 7.66 C ATOM 809 OD1 ASN A 50 29.096 6.300 -3.790 1.00 8.30 O ATOM 810 ND2 ASN A 50 27.936 4.836 -5.020 1.00 7.49 N ATOM 0 H ASN A 50 28.150 6.162 -0.981 1.00 7.73 H new ATOM 0 HA ASN A 50 27.096 7.902 -2.966 1.00 7.72 H new ATOM 0 HB2 ASN A 50 26.922 4.937 -2.334 1.00 7.34 H new ATOM 0 HB3 ASN A 50 25.958 5.623 -3.627 1.00 7.34 H new ATOM 0 HD21 ASN A 50 28.706 4.718 -5.678 1.00 7.49 H new ATOM 0 HD22 ASN A 50 27.066 4.321 -5.155 1.00 7.49 H new ATOM 817 N ALA A 51 25.139 7.201 -0.542 1.00 6.83 N ATOM 818 CA ALA A 51 23.812 7.431 -0.009 1.00 6.42 C ATOM 819 C ALA A 51 23.508 8.918 0.004 1.00 7.39 C ATOM 820 O ALA A 51 24.414 9.752 0.091 1.00 8.36 O ATOM 821 CB ALA A 51 23.686 6.849 1.388 1.00 5.86 C ATOM 0 H ALA A 51 25.838 6.933 0.151 1.00 6.83 H new ATOM 0 HA ALA A 51 23.087 6.930 -0.651 1.00 6.42 H new ATOM 0 HB1 ALA A 51 22.682 7.033 1.770 1.00 5.86 H new ATOM 0 HB2 ALA A 51 23.870 5.775 1.353 1.00 5.86 H new ATOM 0 HB3 ALA A 51 24.416 7.321 2.046 1.00 5.86 H new ATOM 827 N ASN A 52 22.233 9.245 -0.102 1.00 7.23 N ATOM 828 CA ASN A 52 21.795 10.627 -0.052 1.00 8.14 C ATOM 829 C ASN A 52 21.996 11.173 1.357 1.00 8.57 C ATOM 830 O ASN A 52 21.681 10.489 2.329 1.00 8.09 O ATOM 831 CB ASN A 52 20.322 10.722 -0.476 1.00 7.94 C ATOM 832 CG ASN A 52 19.747 12.113 -0.310 1.00 8.81 C ATOM 833 OD1 ASN A 52 19.928 12.981 -1.164 1.00 9.40 O ATOM 834 ND2 ASN A 52 19.018 12.322 0.773 1.00 9.07 N ATOM 0 H ASN A 52 21.480 8.568 -0.224 1.00 7.23 H new ATOM 0 HA ASN A 52 22.387 11.227 -0.743 1.00 8.14 H new ATOM 0 HB2 ASN A 52 20.230 10.419 -1.519 1.00 7.94 H new ATOM 0 HB3 ASN A 52 19.734 10.019 0.114 1.00 7.94 H new ATOM 0 HD21 ASN A 52 18.580 13.231 0.926 1.00 9.07 H new ATOM 0 HD22 ASN A 52 18.893 11.575 1.456 1.00 9.07 H new ATOM 841 N PRO A 53 22.539 12.401 1.483 1.00 9.68 N ATOM 842 CA PRO A 53 22.890 13.013 2.769 1.00 10.41 C ATOM 843 C PRO A 53 21.877 12.725 3.871 1.00 10.13 C ATOM 844 O PRO A 53 22.234 12.254 4.947 1.00 10.29 O ATOM 845 CB PRO A 53 22.929 14.520 2.459 1.00 11.56 C ATOM 846 CG PRO A 53 22.607 14.655 1.000 1.00 11.66 C ATOM 847 CD PRO A 53 22.859 13.310 0.381 1.00 10.51 C ATOM 0 HA PRO A 53 23.830 12.614 3.149 1.00 10.41 H new ATOM 0 HB2 PRO A 53 22.206 15.062 3.069 1.00 11.56 H new ATOM 0 HB3 PRO A 53 23.911 14.938 2.681 1.00 11.56 H new ATOM 0 HG2 PRO A 53 21.570 14.959 0.858 1.00 11.66 H new ATOM 0 HG3 PRO A 53 23.230 15.419 0.534 1.00 11.66 H new ATOM 0 HD2 PRO A 53 22.225 13.136 -0.488 1.00 10.51 H new ATOM 0 HD3 PRO A 53 23.892 13.201 0.049 1.00 10.51 H new ATOM 855 N ASP A 54 20.610 12.963 3.567 1.00 9.86 N ATOM 856 CA ASP A 54 19.538 12.853 4.521 1.00 9.76 C ATOM 857 C ASP A 54 19.413 11.444 5.090 1.00 8.93 C ATOM 858 O ASP A 54 19.310 11.258 6.300 1.00 9.26 O ATOM 859 CB ASP A 54 18.247 13.229 3.816 1.00 9.71 C ATOM 860 CG ASP A 54 18.309 14.597 3.165 1.00 9.98 C ATOM 861 OD1 ASP A 54 18.245 15.609 3.895 1.00 10.64 O ATOM 862 OD2 ASP A 54 18.406 14.669 1.927 1.00 9.67 O ATOM 0 H ASP A 54 20.302 13.241 2.635 1.00 9.86 H new ATOM 0 HA ASP A 54 19.746 13.519 5.358 1.00 9.76 H new ATOM 0 HB2 ASP A 54 18.022 12.480 3.056 1.00 9.71 H new ATOM 0 HB3 ASP A 54 17.428 13.211 4.534 1.00 9.71 H new ATOM 867 N CYS A 55 19.449 10.458 4.212 1.00 8.04 N ATOM 868 CA CYS A 55 19.133 9.089 4.592 1.00 7.30 C ATOM 869 C CYS A 55 20.274 8.442 5.372 1.00 7.57 C ATOM 870 O CYS A 55 20.041 7.753 6.361 1.00 7.74 O ATOM 871 CB CYS A 55 18.762 8.253 3.363 1.00 6.46 C ATOM 872 SG CYS A 55 20.086 8.045 2.151 1.00 6.30 S ATOM 0 H CYS A 55 19.694 10.578 3.229 1.00 8.04 H new ATOM 0 HA CYS A 55 18.267 9.124 5.253 1.00 7.30 H new ATOM 0 HB2 CYS A 55 18.438 7.267 3.697 1.00 6.46 H new ATOM 0 HB3 CYS A 55 17.909 8.719 2.870 1.00 6.46 H new ATOM 0 HG CYS A 55 20.723 9.169 2.007 1.00 6.30 H new ATOM 878 N LYS A 56 21.510 8.677 4.955 1.00 7.87 N ATOM 879 CA LYS A 56 22.650 8.112 5.669 1.00 8.36 C ATOM 880 C LYS A 56 22.845 8.839 6.995 1.00 9.50 C ATOM 881 O LYS A 56 23.432 8.305 7.937 1.00 10.04 O ATOM 882 CB LYS A 56 23.917 8.172 4.814 1.00 8.58 C ATOM 883 CG LYS A 56 24.472 9.570 4.611 1.00 8.84 C ATOM 884 CD LYS A 56 24.956 9.767 3.194 1.00 8.68 C ATOM 885 CE LYS A 56 25.942 10.915 3.085 1.00 9.50 C ATOM 886 NZ LYS A 56 27.245 10.597 3.725 1.00 9.81 N ATOM 0 H LYS A 56 21.749 9.244 4.141 1.00 7.87 H new ATOM 0 HA LYS A 56 22.447 7.061 5.877 1.00 8.36 H new ATOM 0 HB2 LYS A 56 24.684 7.554 5.280 1.00 8.58 H new ATOM 0 HB3 LYS A 56 23.704 7.734 3.839 1.00 8.58 H new ATOM 0 HG2 LYS A 56 23.702 10.306 4.840 1.00 8.84 H new ATOM 0 HG3 LYS A 56 25.294 9.742 5.306 1.00 8.84 H new ATOM 0 HD2 LYS A 56 25.427 8.850 2.841 1.00 8.68 H new ATOM 0 HD3 LYS A 56 24.103 9.958 2.543 1.00 8.68 H new ATOM 0 HE2 LYS A 56 26.104 11.154 2.034 1.00 9.50 H new ATOM 0 HE3 LYS A 56 25.516 11.803 3.552 1.00 9.50 H new ATOM 0 HZ1 LYS A 56 27.972 11.253 3.376 1.00 9.81 H new ATOM 0 HZ2 LYS A 56 27.158 10.693 4.757 1.00 9.81 H new ATOM 0 HZ3 LYS A 56 27.518 9.621 3.490 1.00 9.81 H new ATOM 900 N THR A 57 22.351 10.066 7.053 1.00 9.98 N ATOM 901 CA THR A 57 22.325 10.832 8.288 1.00 11.08 C ATOM 902 C THR A 57 21.335 10.230 9.293 1.00 11.16 C ATOM 903 O THR A 57 21.657 10.064 10.468 1.00 12.08 O ATOM 904 CB THR A 57 21.961 12.307 8.007 1.00 11.53 C ATOM 905 OG1 THR A 57 23.042 12.955 7.323 1.00 12.00 O ATOM 906 CG2 THR A 57 21.643 13.064 9.283 1.00 12.46 C ATOM 0 H THR A 57 21.959 10.556 6.249 1.00 9.98 H new ATOM 0 HA THR A 57 23.323 10.791 8.723 1.00 11.08 H new ATOM 0 HB THR A 57 21.068 12.311 7.382 1.00 11.53 H new ATOM 0 HG1 THR A 57 22.955 12.805 6.358 1.00 12.00 H new ATOM 0 HG21 THR A 57 21.392 14.097 9.041 1.00 12.46 H new ATOM 0 HG22 THR A 57 20.797 12.593 9.784 1.00 12.46 H new ATOM 0 HG23 THR A 57 22.511 13.046 9.942 1.00 12.46 H new ATOM 914 N ILE A 58 20.141 9.879 8.831 1.00 10.34 N ATOM 915 CA ILE A 58 19.110 9.363 9.728 1.00 10.60 C ATOM 916 C ILE A 58 19.388 7.921 10.163 1.00 10.65 C ATOM 917 O ILE A 58 18.935 7.495 11.226 1.00 11.46 O ATOM 918 CB ILE A 58 17.682 9.492 9.126 1.00 9.96 C ATOM 919 CG1 ILE A 58 17.563 8.833 7.748 1.00 8.86 C ATOM 920 CG2 ILE A 58 17.284 10.956 9.036 1.00 10.22 C ATOM 921 CD1 ILE A 58 17.186 7.368 7.785 1.00 8.44 C ATOM 0 H ILE A 58 19.863 9.940 7.852 1.00 10.34 H new ATOM 0 HA ILE A 58 19.148 9.990 10.618 1.00 10.60 H new ATOM 0 HB ILE A 58 17.003 8.964 9.796 1.00 9.96 H new ATOM 0 HG12 ILE A 58 16.817 9.373 7.164 1.00 8.86 H new ATOM 0 HG13 ILE A 58 18.514 8.938 7.226 1.00 8.86 H new ATOM 0 HG21 ILE A 58 16.283 11.035 8.613 1.00 10.22 H new ATOM 0 HG22 ILE A 58 17.293 11.397 10.033 1.00 10.22 H new ATOM 0 HG23 ILE A 58 17.990 11.487 8.398 1.00 10.22 H new ATOM 0 HD11 ILE A 58 17.124 6.982 6.767 1.00 8.44 H new ATOM 0 HD12 ILE A 58 17.942 6.812 8.338 1.00 8.44 H new ATOM 0 HD13 ILE A 58 16.220 7.253 8.276 1.00 8.44 H new ATOM 933 N LEU A 59 20.154 7.188 9.357 1.00 9.90 N ATOM 934 CA LEU A 59 20.485 5.790 9.658 1.00 9.98 C ATOM 935 C LEU A 59 21.141 5.650 11.026 1.00 11.20 C ATOM 936 O LEU A 59 20.774 4.780 11.816 1.00 11.84 O ATOM 937 CB LEU A 59 21.427 5.209 8.596 1.00 9.07 C ATOM 938 CG LEU A 59 20.808 4.953 7.221 1.00 7.91 C ATOM 939 CD1 LEU A 59 21.855 4.410 6.260 1.00 7.28 C ATOM 940 CD2 LEU A 59 19.643 3.985 7.334 1.00 7.92 C ATOM 0 H LEU A 59 20.559 7.537 8.488 1.00 9.90 H new ATOM 0 HA LEU A 59 19.545 5.237 9.657 1.00 9.98 H new ATOM 0 HB2 LEU A 59 22.268 5.891 8.473 1.00 9.07 H new ATOM 0 HB3 LEU A 59 21.831 4.269 8.972 1.00 9.07 H new ATOM 0 HG LEU A 59 20.435 5.900 6.830 1.00 7.91 H new ATOM 0 HD11 LEU A 59 21.398 4.233 5.286 1.00 7.28 H new ATOM 0 HD12 LEU A 59 22.663 5.134 6.156 1.00 7.28 H new ATOM 0 HD13 LEU A 59 22.255 3.473 6.649 1.00 7.28 H new ATOM 0 HD21 LEU A 59 19.215 3.814 6.346 1.00 7.92 H new ATOM 0 HD22 LEU A 59 19.995 3.039 7.745 1.00 7.92 H new ATOM 0 HD23 LEU A 59 18.882 4.406 7.991 1.00 7.92 H new ATOM 952 N LYS A 60 22.096 6.525 11.309 1.00 11.67 N ATOM 953 CA LYS A 60 22.885 6.427 12.532 1.00 12.90 C ATOM 954 C LYS A 60 22.050 6.761 13.766 1.00 13.86 C ATOM 955 O LYS A 60 22.394 6.380 14.883 1.00 14.91 O ATOM 956 CB LYS A 60 24.114 7.341 12.440 1.00 13.23 C ATOM 957 CG LYS A 60 23.776 8.791 12.145 1.00 13.20 C ATOM 958 CD LYS A 60 24.979 9.578 11.638 1.00 13.44 C ATOM 959 CE LYS A 60 25.879 10.076 12.764 1.00 14.35 C ATOM 960 NZ LYS A 60 26.601 8.977 13.461 1.00 14.91 N ATOM 0 H LYS A 60 22.344 7.312 10.709 1.00 11.67 H new ATOM 0 HA LYS A 60 23.221 5.395 12.638 1.00 12.90 H new ATOM 0 HB2 LYS A 60 24.665 7.290 13.379 1.00 13.23 H new ATOM 0 HB3 LYS A 60 24.777 6.966 11.660 1.00 13.23 H new ATOM 0 HG2 LYS A 60 22.980 8.831 11.402 1.00 13.20 H new ATOM 0 HG3 LYS A 60 23.392 9.263 13.049 1.00 13.20 H new ATOM 0 HD2 LYS A 60 25.562 8.948 10.965 1.00 13.44 H new ATOM 0 HD3 LYS A 60 24.630 10.430 11.055 1.00 13.44 H new ATOM 0 HE2 LYS A 60 26.605 10.779 12.357 1.00 14.35 H new ATOM 0 HE3 LYS A 60 25.276 10.624 13.488 1.00 14.35 H new ATOM 0 HZ1 LYS A 60 27.518 9.327 13.805 1.00 14.91 H new ATOM 0 HZ2 LYS A 60 26.033 8.645 14.267 1.00 14.91 H new ATOM 0 HZ3 LYS A 60 26.757 8.190 12.800 1.00 14.91 H new ATOM 974 N ALA A 61 20.950 7.473 13.565 1.00 13.54 N ATOM 975 CA ALA A 61 20.044 7.795 14.657 1.00 14.41 C ATOM 976 C ALA A 61 19.061 6.651 14.899 1.00 14.65 C ATOM 977 O ALA A 61 18.671 6.380 16.036 1.00 15.64 O ATOM 978 CB ALA A 61 19.297 9.087 14.365 1.00 14.06 C ATOM 0 H ALA A 61 20.664 7.838 12.657 1.00 13.54 H new ATOM 0 HA ALA A 61 20.635 7.934 15.562 1.00 14.41 H new ATOM 0 HB1 ALA A 61 18.624 9.313 15.192 1.00 14.06 H new ATOM 0 HB2 ALA A 61 20.012 9.901 14.246 1.00 14.06 H new ATOM 0 HB3 ALA A 61 18.719 8.974 13.447 1.00 14.06 H new ATOM 984 N LEU A 62 18.673 5.983 13.820 1.00 13.84 N ATOM 985 CA LEU A 62 17.696 4.903 13.889 1.00 14.21 C ATOM 986 C LEU A 62 18.327 3.587 14.312 1.00 14.97 C ATOM 987 O LEU A 62 17.657 2.749 14.898 1.00 15.72 O ATOM 988 CB LEU A 62 17.041 4.725 12.528 1.00 13.37 C ATOM 989 CG LEU A 62 16.291 5.941 12.019 1.00 12.15 C ATOM 990 CD1 LEU A 62 15.907 5.738 10.572 1.00 11.39 C ATOM 991 CD2 LEU A 62 15.058 6.198 12.873 1.00 12.25 C ATOM 0 H LEU A 62 19.023 6.172 12.881 1.00 13.84 H new ATOM 0 HA LEU A 62 16.955 5.177 14.640 1.00 14.21 H new ATOM 0 HB2 LEU A 62 17.810 4.460 11.802 1.00 13.37 H new ATOM 0 HB3 LEU A 62 16.349 3.885 12.581 1.00 13.37 H new ATOM 0 HG LEU A 62 16.940 6.814 12.088 1.00 12.15 H new ATOM 0 HD11 LEU A 62 15.369 6.615 10.212 1.00 11.39 H new ATOM 0 HD12 LEU A 62 16.807 5.594 9.974 1.00 11.39 H new ATOM 0 HD13 LEU A 62 15.268 4.859 10.485 1.00 11.39 H new ATOM 0 HD21 LEU A 62 14.530 7.074 12.496 1.00 12.25 H new ATOM 0 HD22 LEU A 62 14.399 5.331 12.831 1.00 12.25 H new ATOM 0 HD23 LEU A 62 15.361 6.374 13.905 1.00 12.25 H new ATOM 1003 N GLY A 63 19.612 3.429 14.003 1.00 14.89 N ATOM 1004 CA GLY A 63 20.334 2.176 14.238 1.00 15.66 C ATOM 1005 C GLY A 63 19.885 1.386 15.465 1.00 16.04 C ATOM 1006 O GLY A 63 19.474 0.232 15.331 1.00 16.17 O ATOM 0 H GLY A 63 20.183 4.163 13.584 1.00 14.89 H new ATOM 0 HA2 GLY A 63 20.225 1.542 13.358 1.00 15.66 H new ATOM 0 HA3 GLY A 63 21.396 2.401 14.339 1.00 15.66 H new ATOM 1010 N PRO A 64 19.966 1.968 16.674 1.00 16.36 N ATOM 1011 CA PRO A 64 19.568 1.285 17.912 1.00 16.89 C ATOM 1012 C PRO A 64 18.119 0.789 17.919 1.00 16.41 C ATOM 1013 O PRO A 64 17.863 -0.393 18.156 1.00 16.65 O ATOM 1014 CB PRO A 64 19.753 2.352 18.999 1.00 17.44 C ATOM 1015 CG PRO A 64 19.903 3.650 18.280 1.00 16.99 C ATOM 1016 CD PRO A 64 20.487 3.318 16.940 1.00 16.40 C ATOM 0 HA PRO A 64 20.165 0.384 18.052 1.00 16.89 H new ATOM 0 HB2 PRO A 64 18.896 2.376 19.672 1.00 17.44 H new ATOM 0 HB3 PRO A 64 20.631 2.140 19.608 1.00 17.44 H new ATOM 0 HG2 PRO A 64 18.940 4.149 18.173 1.00 16.99 H new ATOM 0 HG3 PRO A 64 20.554 4.328 18.832 1.00 16.99 H new ATOM 0 HD2 PRO A 64 20.173 4.029 16.176 1.00 16.40 H new ATOM 0 HD3 PRO A 64 21.577 3.333 16.960 1.00 16.40 H new ATOM 1024 N GLY A 65 17.177 1.680 17.640 1.00 15.83 N ATOM 1025 CA GLY A 65 15.775 1.356 17.835 1.00 15.53 C ATOM 1026 C GLY A 65 15.086 0.877 16.575 1.00 14.59 C ATOM 1027 O GLY A 65 13.951 0.402 16.625 1.00 14.42 O ATOM 0 H GLY A 65 17.356 2.619 17.283 1.00 15.83 H new ATOM 0 HA2 GLY A 65 15.691 0.585 18.601 1.00 15.53 H new ATOM 0 HA3 GLY A 65 15.255 2.237 18.211 1.00 15.53 H new ATOM 1031 N ALA A 66 15.765 1.002 15.450 1.00 14.15 N ATOM 1032 CA ALA A 66 15.206 0.602 14.163 1.00 13.39 C ATOM 1033 C ALA A 66 16.016 -0.520 13.538 1.00 13.11 C ATOM 1034 O ALA A 66 17.248 -0.489 13.530 1.00 12.58 O ATOM 1035 CB ALA A 66 15.152 1.792 13.222 1.00 12.24 C ATOM 0 H ALA A 66 16.711 1.380 15.397 1.00 14.15 H new ATOM 0 HA ALA A 66 14.194 0.235 14.335 1.00 13.39 H new ATOM 0 HB1 ALA A 66 14.733 1.481 12.265 1.00 12.24 H new ATOM 0 HB2 ALA A 66 14.525 2.571 13.656 1.00 12.24 H new ATOM 0 HB3 ALA A 66 16.159 2.180 13.068 1.00 12.24 H new ATOM 1041 N THR A 67 15.313 -1.516 13.033 1.00 13.60 N ATOM 1042 CA THR A 67 15.941 -2.614 12.326 1.00 13.52 C ATOM 1043 C THR A 67 16.098 -2.276 10.845 1.00 12.33 C ATOM 1044 O THR A 67 15.721 -1.180 10.411 1.00 11.64 O ATOM 1045 CB THR A 67 15.131 -3.913 12.493 1.00 14.67 C ATOM 1046 OG1 THR A 67 13.741 -3.652 12.260 1.00 15.33 O ATOM 1047 CG2 THR A 67 15.315 -4.493 13.887 1.00 15.45 C ATOM 0 H THR A 67 14.298 -1.586 13.101 1.00 13.60 H new ATOM 0 HA THR A 67 16.930 -2.770 12.757 1.00 13.52 H new ATOM 0 HB THR A 67 15.495 -4.639 11.766 1.00 14.67 H new ATOM 0 HG1 THR A 67 13.354 -3.212 13.046 1.00 15.33 H new ATOM 0 HG21 THR A 67 14.733 -5.410 13.979 1.00 15.45 H new ATOM 0 HG22 THR A 67 16.369 -4.714 14.053 1.00 15.45 H new ATOM 0 HG23 THR A 67 14.975 -3.771 14.629 1.00 15.45 H new ATOM 1055 N LEU A 68 16.639 -3.216 10.077 1.00 12.22 N ATOM 1056 CA LEU A 68 16.944 -2.997 8.666 1.00 11.25 C ATOM 1057 C LEU A 68 15.719 -2.482 7.909 1.00 11.10 C ATOM 1058 O LEU A 68 15.809 -1.510 7.160 1.00 10.12 O ATOM 1059 CB LEU A 68 17.459 -4.306 8.040 1.00 11.69 C ATOM 1060 CG LEU A 68 18.276 -4.180 6.739 1.00 10.84 C ATOM 1061 CD1 LEU A 68 17.397 -3.795 5.555 1.00 10.70 C ATOM 1062 CD2 LEU A 68 19.406 -3.173 6.908 1.00 9.79 C ATOM 0 H LEU A 68 16.878 -4.149 10.413 1.00 12.22 H new ATOM 0 HA LEU A 68 17.720 -2.235 8.592 1.00 11.25 H new ATOM 0 HB2 LEU A 68 18.075 -4.817 8.780 1.00 11.69 H new ATOM 0 HB3 LEU A 68 16.601 -4.948 7.841 1.00 11.69 H new ATOM 0 HG LEU A 68 18.706 -5.160 6.529 1.00 10.84 H new ATOM 0 HD11 LEU A 68 18.010 -3.716 4.657 1.00 10.70 H new ATOM 0 HD12 LEU A 68 16.632 -4.557 5.407 1.00 10.70 H new ATOM 0 HD13 LEU A 68 16.919 -2.836 5.753 1.00 10.70 H new ATOM 0 HD21 LEU A 68 19.970 -3.100 5.978 1.00 9.79 H new ATOM 0 HD22 LEU A 68 18.989 -2.197 7.158 1.00 9.79 H new ATOM 0 HD23 LEU A 68 20.068 -3.501 7.709 1.00 9.79 H new ATOM 1074 N GLU A 69 14.569 -3.098 8.139 1.00 12.16 N ATOM 1075 CA GLU A 69 13.379 -2.774 7.368 1.00 12.26 C ATOM 1076 C GLU A 69 12.821 -1.411 7.752 1.00 11.96 C ATOM 1077 O GLU A 69 12.210 -0.725 6.933 1.00 11.57 O ATOM 1078 CB GLU A 69 12.312 -3.857 7.547 1.00 13.61 C ATOM 1079 CG GLU A 69 11.940 -4.121 8.996 1.00 14.60 C ATOM 1080 CD GLU A 69 10.848 -5.159 9.133 1.00 15.86 C ATOM 1081 OE1 GLU A 69 11.133 -6.355 8.935 1.00 16.53 O ATOM 1082 OE2 GLU A 69 9.699 -4.781 9.456 1.00 16.24 O ATOM 0 H GLU A 69 14.435 -3.819 8.848 1.00 12.16 H new ATOM 0 HA GLU A 69 13.666 -2.733 6.317 1.00 12.26 H new ATOM 0 HB2 GLU A 69 11.416 -3.564 7.000 1.00 13.61 H new ATOM 0 HB3 GLU A 69 12.671 -4.784 7.099 1.00 13.61 H new ATOM 0 HG2 GLU A 69 12.824 -4.454 9.540 1.00 14.60 H new ATOM 0 HG3 GLU A 69 11.613 -3.190 9.459 1.00 14.60 H new ATOM 1089 N GLU A 70 13.063 -1.002 8.986 1.00 12.26 N ATOM 1090 CA GLU A 70 12.504 0.234 9.491 1.00 12.19 C ATOM 1091 C GLU A 70 13.332 1.422 9.030 1.00 10.92 C ATOM 1092 O GLU A 70 12.796 2.486 8.725 1.00 10.57 O ATOM 1093 CB GLU A 70 12.435 0.165 11.008 1.00 13.06 C ATOM 1094 CG GLU A 70 11.962 -1.192 11.494 1.00 14.21 C ATOM 1095 CD GLU A 70 11.744 -1.246 12.986 1.00 15.02 C ATOM 1096 OE1 GLU A 70 10.662 -0.824 13.436 1.00 15.56 O ATOM 1097 OE2 GLU A 70 12.658 -1.693 13.710 1.00 15.23 O ATOM 0 H GLU A 70 13.643 -1.510 9.654 1.00 12.26 H new ATOM 0 HA GLU A 70 11.496 0.368 9.098 1.00 12.19 H new ATOM 0 HB2 GLU A 70 13.419 0.377 11.426 1.00 13.06 H new ATOM 0 HB3 GLU A 70 11.760 0.937 11.376 1.00 13.06 H new ATOM 0 HG2 GLU A 70 11.031 -1.448 10.988 1.00 14.21 H new ATOM 0 HG3 GLU A 70 12.696 -1.947 11.213 1.00 14.21 H new ATOM 1104 N MET A 71 14.642 1.223 8.948 1.00 10.30 N ATOM 1105 CA MET A 71 15.533 2.256 8.439 1.00 9.14 C ATOM 1106 C MET A 71 15.422 2.323 6.919 1.00 8.31 C ATOM 1107 O MET A 71 15.619 3.375 6.317 1.00 7.58 O ATOM 1108 CB MET A 71 16.985 2.000 8.867 1.00 8.85 C ATOM 1109 CG MET A 71 17.601 0.740 8.273 1.00 8.69 C ATOM 1110 SD MET A 71 19.331 0.509 8.740 1.00 8.41 S ATOM 1111 CE MET A 71 19.194 0.369 10.521 1.00 8.50 C ATOM 0 H MET A 71 15.108 0.360 9.226 1.00 10.30 H new ATOM 0 HA MET A 71 15.232 3.214 8.863 1.00 9.14 H new ATOM 0 HB2 MET A 71 17.593 2.858 8.579 1.00 8.85 H new ATOM 0 HB3 MET A 71 17.024 1.932 9.954 1.00 8.85 H new ATOM 0 HG2 MET A 71 17.025 -0.127 8.597 1.00 8.69 H new ATOM 0 HG3 MET A 71 17.527 0.784 7.186 1.00 8.69 H new ATOM 0 HE1 MET A 71 20.100 -0.086 10.921 1.00 8.50 H new ATOM 0 HE2 MET A 71 19.064 1.360 10.955 1.00 8.50 H new ATOM 0 HE3 MET A 71 18.335 -0.253 10.772 1.00 8.50 H new ATOM 1121 N MET A 72 15.080 1.190 6.310 1.00 8.67 N ATOM 1122 CA MET A 72 14.853 1.128 4.871 1.00 8.32 C ATOM 1123 C MET A 72 13.598 1.907 4.502 1.00 8.63 C ATOM 1124 O MET A 72 13.564 2.626 3.503 1.00 8.10 O ATOM 1125 CB MET A 72 14.732 -0.332 4.417 1.00 9.08 C ATOM 1126 CG MET A 72 14.458 -0.496 2.931 1.00 9.10 C ATOM 1127 SD MET A 72 14.532 -2.217 2.394 1.00 10.28 S ATOM 1128 CE MET A 72 13.193 -2.940 3.338 1.00 11.15 C ATOM 0 H MET A 72 14.954 0.301 6.794 1.00 8.67 H new ATOM 0 HA MET A 72 15.703 1.580 4.361 1.00 8.32 H new ATOM 0 HB2 MET A 72 15.654 -0.857 4.666 1.00 9.08 H new ATOM 0 HB3 MET A 72 13.930 -0.811 4.979 1.00 9.08 H new ATOM 0 HG2 MET A 72 13.473 -0.090 2.701 1.00 9.10 H new ATOM 0 HG3 MET A 72 15.184 0.088 2.365 1.00 9.10 H new ATOM 0 HE1 MET A 72 13.602 -3.513 4.170 1.00 11.15 H new ATOM 0 HE2 MET A 72 12.551 -2.148 3.724 1.00 11.15 H new ATOM 0 HE3 MET A 72 12.610 -3.600 2.696 1.00 11.15 H new ATOM 1138 N THR A 73 12.572 1.766 5.326 1.00 9.62 N ATOM 1139 CA THR A 73 11.329 2.501 5.143 1.00 10.09 C ATOM 1140 C THR A 73 11.540 3.988 5.427 1.00 9.53 C ATOM 1141 O THR A 73 10.875 4.849 4.852 1.00 9.49 O ATOM 1142 CB THR A 73 10.223 1.946 6.065 1.00 11.37 C ATOM 1143 OG1 THR A 73 10.101 0.532 5.866 1.00 12.02 O ATOM 1144 CG2 THR A 73 8.883 2.614 5.785 1.00 11.93 C ATOM 0 H THR A 73 12.576 1.144 6.135 1.00 9.62 H new ATOM 0 HA THR A 73 11.015 2.378 4.106 1.00 10.09 H new ATOM 0 HB THR A 73 10.501 2.157 7.097 1.00 11.37 H new ATOM 0 HG1 THR A 73 10.710 0.062 6.473 1.00 12.02 H new ATOM 0 HG21 THR A 73 8.125 2.201 6.450 1.00 11.93 H new ATOM 0 HG22 THR A 73 8.969 3.687 5.954 1.00 11.93 H new ATOM 0 HG23 THR A 73 8.595 2.432 4.750 1.00 11.93 H new ATOM 1152 N ALA A 74 12.489 4.272 6.304 1.00 9.27 N ATOM 1153 CA ALA A 74 12.807 5.637 6.681 1.00 9.02 C ATOM 1154 C ALA A 74 13.570 6.368 5.575 1.00 8.01 C ATOM 1155 O ALA A 74 13.441 7.582 5.420 1.00 8.00 O ATOM 1156 CB ALA A 74 13.610 5.632 7.970 1.00 9.32 C ATOM 0 H ALA A 74 13.057 3.566 6.772 1.00 9.27 H new ATOM 0 HA ALA A 74 11.872 6.176 6.836 1.00 9.02 H new ATOM 0 HB1 ALA A 74 13.849 6.657 8.254 1.00 9.32 H new ATOM 0 HB2 ALA A 74 13.025 5.164 8.761 1.00 9.32 H new ATOM 0 HB3 ALA A 74 14.533 5.072 7.821 1.00 9.32 H new ATOM 1162 N CYS A 75 14.356 5.624 4.804 1.00 7.31 N ATOM 1163 CA CYS A 75 15.195 6.224 3.770 1.00 6.51 C ATOM 1164 C CYS A 75 14.450 6.405 2.453 1.00 6.63 C ATOM 1165 O CYS A 75 14.818 7.254 1.641 1.00 6.46 O ATOM 1166 CB CYS A 75 16.438 5.373 3.529 1.00 5.86 C ATOM 1167 SG CYS A 75 17.507 5.201 4.973 1.00 6.16 S ATOM 0 H CYS A 75 14.430 4.609 4.874 1.00 7.31 H new ATOM 0 HA CYS A 75 15.483 7.210 4.135 1.00 6.51 H new ATOM 0 HB2 CYS A 75 16.128 4.381 3.200 1.00 5.86 H new ATOM 0 HB3 CYS A 75 17.014 5.813 2.715 1.00 5.86 H new ATOM 0 HG CYS A 75 17.008 4.311 5.779 1.00 6.16 H new ATOM 1173 N GLN A 76 13.418 5.605 2.225 1.00 7.27 N ATOM 1174 CA GLN A 76 12.675 5.695 0.979 1.00 7.76 C ATOM 1175 C GLN A 76 11.690 6.859 1.033 1.00 8.19 C ATOM 1176 O GLN A 76 10.756 6.873 1.838 1.00 8.73 O ATOM 1177 CB GLN A 76 11.959 4.372 0.666 1.00 8.60 C ATOM 1178 CG GLN A 76 10.971 3.922 1.731 1.00 9.19 C ATOM 1179 CD GLN A 76 10.460 2.515 1.491 1.00 10.10 C ATOM 1180 OE1 GLN A 76 11.163 1.539 2.036 1.00 10.49 O flip ATOM 1181 NE2 GLN A 76 9.450 2.306 0.818 1.00 10.66 N flip ATOM 0 H GLN A 76 13.081 4.897 2.877 1.00 7.27 H new ATOM 0 HA GLN A 76 13.380 5.883 0.170 1.00 7.76 H new ATOM 0 HB2 GLN A 76 11.430 4.475 -0.282 1.00 8.60 H new ATOM 0 HB3 GLN A 76 12.708 3.592 0.530 1.00 8.60 H new ATOM 0 HG2 GLN A 76 11.449 3.969 2.709 1.00 9.19 H new ATOM 0 HG3 GLN A 76 10.128 4.612 1.755 1.00 9.19 H new ATOM 0 HE21 GLN A 76 8.935 3.089 0.414 1.00 10.66 H new ATOM 0 HE22 GLN A 76 9.128 1.350 0.664 1.00 10.66 H new ATOM 1190 N GLY A 77 11.922 7.846 0.184 1.00 8.13 N ATOM 1191 CA GLY A 77 11.045 8.993 0.129 1.00 8.58 C ATOM 1192 C GLY A 77 11.259 9.944 1.289 1.00 8.30 C ATOM 1193 O GLY A 77 10.323 10.239 2.034 1.00 8.85 O ATOM 0 H GLY A 77 12.705 7.873 -0.470 1.00 8.13 H new ATOM 0 HA2 GLY A 77 11.207 9.526 -0.808 1.00 8.58 H new ATOM 0 HA3 GLY A 77 10.009 8.654 0.128 1.00 8.58 H new ATOM 1197 N VAL A 78 12.486 10.418 1.458 1.00 7.65 N ATOM 1198 CA VAL A 78 12.771 11.437 2.461 1.00 7.69 C ATOM 1199 C VAL A 78 12.285 12.793 1.955 1.00 8.18 C ATOM 1200 O VAL A 78 13.068 13.610 1.470 1.00 8.24 O ATOM 1201 CB VAL A 78 14.277 11.517 2.800 1.00 7.30 C ATOM 1202 CG1 VAL A 78 14.518 12.476 3.958 1.00 7.56 C ATOM 1203 CG2 VAL A 78 14.831 10.138 3.125 1.00 7.23 C ATOM 0 H VAL A 78 13.296 10.116 0.917 1.00 7.65 H new ATOM 0 HA VAL A 78 12.245 11.162 3.375 1.00 7.69 H new ATOM 0 HB VAL A 78 14.801 11.898 1.924 1.00 7.30 H new ATOM 0 HG11 VAL A 78 15.584 12.517 4.180 1.00 7.56 H new ATOM 0 HG12 VAL A 78 14.165 13.471 3.686 1.00 7.56 H new ATOM 0 HG13 VAL A 78 13.977 12.127 4.838 1.00 7.56 H new ATOM 0 HG21 VAL A 78 15.892 10.218 3.360 1.00 7.23 H new ATOM 0 HG22 VAL A 78 14.299 9.725 3.982 1.00 7.23 H new ATOM 0 HG23 VAL A 78 14.699 9.481 2.265 1.00 7.23 H new ATOM 1213 N GLY A 79 10.975 12.999 2.028 1.00 8.79 N ATOM 1214 CA GLY A 79 10.378 14.219 1.523 1.00 9.46 C ATOM 1215 C GLY A 79 10.226 14.192 0.015 1.00 9.86 C ATOM 1216 O GLY A 79 9.721 15.140 -0.588 1.00 10.49 O ATOM 0 H GLY A 79 10.312 12.337 2.431 1.00 8.79 H new ATOM 0 HA2 GLY A 79 9.401 14.363 1.984 1.00 9.46 H new ATOM 0 HA3 GLY A 79 10.994 15.071 1.811 1.00 9.46 H new ATOM 1220 N GLY A 80 10.665 13.098 -0.591 1.00 9.69 N ATOM 1221 CA GLY A 80 10.610 12.966 -2.029 1.00 10.31 C ATOM 1222 C GLY A 80 11.720 13.744 -2.700 1.00 10.42 C ATOM 1223 O GLY A 80 12.879 13.626 -2.306 1.00 10.24 O ATOM 0 H GLY A 80 11.061 12.294 -0.105 1.00 9.69 H new ATOM 0 HA2 GLY A 80 10.686 11.913 -2.302 1.00 10.31 H new ATOM 0 HA3 GLY A 80 9.645 13.321 -2.391 1.00 10.31 H new ATOM 1227 N PRO A 81 11.396 14.535 -3.731 1.00 10.92 N ATOM 1228 CA PRO A 81 12.359 15.432 -4.385 1.00 11.29 C ATOM 1229 C PRO A 81 12.808 16.570 -3.462 1.00 11.16 C ATOM 1230 O PRO A 81 12.814 16.428 -2.236 1.00 11.39 O ATOM 1231 CB PRO A 81 11.578 15.990 -5.586 1.00 12.10 C ATOM 1232 CG PRO A 81 10.400 15.090 -5.745 1.00 12.10 C ATOM 1233 CD PRO A 81 10.076 14.594 -4.370 1.00 11.39 C ATOM 0 HA PRO A 81 13.275 14.911 -4.665 1.00 11.29 H new ATOM 0 HB2 PRO A 81 11.265 17.019 -5.407 1.00 12.10 H new ATOM 0 HB3 PRO A 81 12.193 15.995 -6.486 1.00 12.10 H new ATOM 0 HG2 PRO A 81 9.554 15.626 -6.177 1.00 12.10 H new ATOM 0 HG3 PRO A 81 10.629 14.262 -6.416 1.00 12.10 H new ATOM 0 HD2 PRO A 81 9.401 15.269 -3.844 1.00 11.39 H new ATOM 0 HD3 PRO A 81 9.594 13.617 -4.395 1.00 11.39 H new ATOM 1241 N GLY A 82 13.178 17.703 -4.049 1.00 10.99 N ATOM 1242 CA GLY A 82 13.632 18.840 -3.266 1.00 11.07 C ATOM 1243 C GLY A 82 12.494 19.575 -2.580 1.00 10.54 C ATOM 1244 O GLY A 82 12.251 20.752 -2.845 1.00 10.90 O ATOM 0 H GLY A 82 13.172 17.856 -5.058 1.00 10.99 H new ATOM 0 HA2 GLY A 82 14.342 18.497 -2.514 1.00 11.07 H new ATOM 0 HA3 GLY A 82 14.166 19.533 -3.916 1.00 11.07 H new ATOM 1248 N HIS A 83 11.795 18.879 -1.696 1.00 9.87 N ATOM 1249 CA HIS A 83 10.686 19.468 -0.955 1.00 9.50 C ATOM 1250 C HIS A 83 11.168 20.021 0.383 1.00 9.01 C ATOM 1251 O HIS A 83 12.368 20.175 0.603 1.00 8.60 O ATOM 1252 CB HIS A 83 9.576 18.436 -0.731 1.00 9.28 C ATOM 1253 CG HIS A 83 8.797 18.102 -1.964 1.00 9.71 C ATOM 1254 ND1 HIS A 83 8.324 16.840 -2.235 1.00 9.88 N ATOM 1255 CD2 HIS A 83 8.393 18.882 -2.995 1.00 10.26 C ATOM 1256 CE1 HIS A 83 7.664 16.855 -3.377 1.00 10.48 C ATOM 1257 NE2 HIS A 83 7.690 18.081 -3.860 1.00 10.71 N ATOM 0 H HIS A 83 11.976 17.900 -1.472 1.00 9.87 H new ATOM 0 HA HIS A 83 10.282 20.289 -1.546 1.00 9.50 H new ATOM 0 HB2 HIS A 83 10.018 17.522 -0.335 1.00 9.28 H new ATOM 0 HB3 HIS A 83 8.891 18.814 0.028 1.00 9.28 H new ATOM 0 HD1 HIS A 83 8.462 16.020 -1.645 1.00 9.88 H new ATOM 0 HD2 HIS A 83 8.588 19.938 -3.114 1.00 10.26 H new ATOM 0 HE1 HIS A 83 7.183 16.005 -3.839 1.00 10.48 H new ATOM 1266 N LYS A 84 10.221 20.303 1.270 1.00 9.30 N ATOM 1267 CA LYS A 84 10.508 20.841 2.603 1.00 9.11 C ATOM 1268 C LYS A 84 11.146 19.795 3.526 1.00 8.52 C ATOM 1269 O LYS A 84 11.083 19.923 4.746 1.00 8.22 O ATOM 1270 CB LYS A 84 9.226 21.377 3.245 1.00 9.97 C ATOM 1271 CG LYS A 84 8.149 20.319 3.417 1.00 10.46 C ATOM 1272 CD LYS A 84 6.925 20.873 4.120 1.00 11.30 C ATOM 1273 CE LYS A 84 5.823 19.832 4.212 1.00 11.85 C ATOM 1274 NZ LYS A 84 5.325 19.427 2.869 1.00 12.21 N ATOM 0 H LYS A 84 9.227 20.166 1.088 1.00 9.30 H new ATOM 0 HA LYS A 84 11.225 21.652 2.473 1.00 9.11 H new ATOM 0 HB2 LYS A 84 9.467 21.802 4.220 1.00 9.97 H new ATOM 0 HB3 LYS A 84 8.833 22.188 2.632 1.00 9.97 H new ATOM 0 HG2 LYS A 84 7.862 19.930 2.440 1.00 10.46 H new ATOM 0 HG3 LYS A 84 8.549 19.482 3.989 1.00 10.46 H new ATOM 0 HD2 LYS A 84 7.198 21.206 5.121 1.00 11.30 H new ATOM 0 HD3 LYS A 84 6.558 21.747 3.582 1.00 11.30 H new ATOM 0 HE2 LYS A 84 6.196 18.955 4.740 1.00 11.85 H new ATOM 0 HE3 LYS A 84 4.996 20.230 4.800 1.00 11.85 H new ATOM 0 HZ1 LYS A 84 4.414 18.936 2.970 1.00 12.21 H new ATOM 0 HZ2 LYS A 84 5.199 20.272 2.276 1.00 12.21 H new ATOM 0 HZ3 LYS A 84 6.014 18.789 2.421 1.00 12.21 H new ATOM 1288 N ALA A 85 11.744 18.763 2.938 1.00 8.58 N ATOM 1289 CA ALA A 85 12.294 17.621 3.675 1.00 8.36 C ATOM 1290 C ALA A 85 13.244 18.048 4.794 1.00 7.63 C ATOM 1291 O ALA A 85 13.510 17.282 5.720 1.00 7.43 O ATOM 1292 CB ALA A 85 13.009 16.684 2.717 1.00 8.99 C ATOM 0 H ALA A 85 11.863 18.692 1.928 1.00 8.58 H new ATOM 0 HA ALA A 85 11.456 17.105 4.144 1.00 8.36 H new ATOM 0 HB1 ALA A 85 13.415 15.838 3.271 1.00 8.99 H new ATOM 0 HB2 ALA A 85 12.305 16.323 1.968 1.00 8.99 H new ATOM 0 HB3 ALA A 85 13.821 17.218 2.224 1.00 8.99 H new ATOM 1298 N ARG A 86 13.756 19.264 4.698 1.00 7.48 N ATOM 1299 CA ARG A 86 14.615 19.819 5.737 1.00 7.14 C ATOM 1300 C ARG A 86 13.879 19.885 7.074 1.00 6.68 C ATOM 1301 O ARG A 86 14.470 19.651 8.125 1.00 6.49 O ATOM 1302 CB ARG A 86 15.113 21.207 5.333 1.00 7.54 C ATOM 1303 CG ARG A 86 16.079 21.822 6.329 1.00 7.94 C ATOM 1304 CD ARG A 86 16.683 23.110 5.798 1.00 8.47 C ATOM 1305 NE ARG A 86 15.673 24.136 5.544 1.00 9.09 N ATOM 1306 CZ ARG A 86 15.895 25.233 4.820 1.00 9.85 C ATOM 1307 NH1 ARG A 86 17.093 25.452 4.291 1.00 10.10 N ATOM 1308 NH2 ARG A 86 14.920 26.116 4.635 1.00 10.56 N ATOM 0 H ARG A 86 13.592 19.889 3.909 1.00 7.48 H new ATOM 0 HA ARG A 86 15.476 19.160 5.854 1.00 7.14 H new ATOM 0 HB2 ARG A 86 15.601 21.139 4.361 1.00 7.54 H new ATOM 0 HB3 ARG A 86 14.256 21.870 5.214 1.00 7.54 H new ATOM 0 HG2 ARG A 86 15.559 22.022 7.266 1.00 7.94 H new ATOM 0 HG3 ARG A 86 16.875 21.111 6.552 1.00 7.94 H new ATOM 0 HD2 ARG A 86 17.410 23.490 6.515 1.00 8.47 H new ATOM 0 HD3 ARG A 86 17.225 22.901 4.875 1.00 8.47 H new ATOM 0 HE ARG A 86 14.744 24.005 5.944 1.00 9.09 H new ATOM 0 HH11 ARG A 86 17.846 24.780 4.438 1.00 10.10 H new ATOM 0 HH12 ARG A 86 17.260 26.292 3.737 1.00 10.10 H new ATOM 0 HH21 ARG A 86 14.001 25.955 5.047 1.00 10.56 H new ATOM 0 HH22 ARG A 86 15.090 26.955 4.081 1.00 10.56 H new ATOM 1322 N VAL A 87 12.578 20.164 7.030 1.00 6.80 N ATOM 1323 CA VAL A 87 11.783 20.229 8.249 1.00 6.75 C ATOM 1324 C VAL A 87 11.515 18.825 8.773 1.00 6.55 C ATOM 1325 O VAL A 87 11.218 18.637 9.951 1.00 6.49 O ATOM 1326 CB VAL A 87 10.442 20.974 8.040 1.00 7.42 C ATOM 1327 CG1 VAL A 87 10.674 22.304 7.341 1.00 7.80 C ATOM 1328 CG2 VAL A 87 9.437 20.126 7.270 1.00 7.90 C ATOM 0 H VAL A 87 12.058 20.347 6.172 1.00 6.80 H new ATOM 0 HA VAL A 87 12.361 20.795 8.980 1.00 6.75 H new ATOM 0 HB VAL A 87 10.016 21.167 9.025 1.00 7.42 H new ATOM 0 HG11 VAL A 87 9.720 22.813 7.203 1.00 7.80 H new ATOM 0 HG12 VAL A 87 11.332 22.925 7.949 1.00 7.80 H new ATOM 0 HG13 VAL A 87 11.136 22.129 6.369 1.00 7.80 H new ATOM 0 HG21 VAL A 87 8.510 20.685 7.145 1.00 7.90 H new ATOM 0 HG22 VAL A 87 9.846 19.877 6.291 1.00 7.90 H new ATOM 0 HG23 VAL A 87 9.236 19.209 7.823 1.00 7.90 H new ATOM 1338 N LEU A 88 11.640 17.840 7.890 1.00 6.74 N ATOM 1339 CA LEU A 88 11.479 16.444 8.268 1.00 6.96 C ATOM 1340 C LEU A 88 12.738 15.958 8.964 1.00 6.75 C ATOM 1341 O LEU A 88 12.675 15.250 9.965 1.00 6.87 O ATOM 1342 CB LEU A 88 11.189 15.580 7.039 1.00 7.72 C ATOM 1343 CG LEU A 88 9.929 15.957 6.258 1.00 8.06 C ATOM 1344 CD1 LEU A 88 9.730 15.017 5.082 1.00 8.65 C ATOM 1345 CD2 LEU A 88 8.713 15.939 7.169 1.00 8.66 C ATOM 0 H LEU A 88 11.853 17.986 6.903 1.00 6.74 H new ATOM 0 HA LEU A 88 10.633 16.360 8.950 1.00 6.96 H new ATOM 0 HB2 LEU A 88 12.044 15.636 6.366 1.00 7.72 H new ATOM 0 HB3 LEU A 88 11.102 14.541 7.358 1.00 7.72 H new ATOM 0 HG LEU A 88 10.053 16.968 5.871 1.00 8.06 H new ATOM 0 HD11 LEU A 88 8.829 15.300 4.538 1.00 8.65 H new ATOM 0 HD12 LEU A 88 10.591 15.080 4.416 1.00 8.65 H new ATOM 0 HD13 LEU A 88 9.627 13.995 5.447 1.00 8.65 H new ATOM 0 HD21 LEU A 88 7.826 16.210 6.597 1.00 8.66 H new ATOM 0 HD22 LEU A 88 8.585 14.940 7.586 1.00 8.66 H new ATOM 0 HD23 LEU A 88 8.855 16.655 7.979 1.00 8.66 H new ATOM 1357 N ALA A 89 13.884 16.361 8.434 1.00 6.75 N ATOM 1358 CA ALA A 89 15.164 16.074 9.070 1.00 6.99 C ATOM 1359 C ALA A 89 15.261 16.824 10.392 1.00 6.71 C ATOM 1360 O ALA A 89 15.926 16.386 11.331 1.00 7.11 O ATOM 1361 CB ALA A 89 16.316 16.452 8.155 1.00 7.41 C ATOM 0 H ALA A 89 13.955 16.889 7.564 1.00 6.75 H new ATOM 0 HA ALA A 89 15.228 15.003 9.265 1.00 6.99 H new ATOM 0 HB1 ALA A 89 17.262 16.229 8.650 1.00 7.41 H new ATOM 0 HB2 ALA A 89 16.248 15.881 7.229 1.00 7.41 H new ATOM 0 HB3 ALA A 89 16.267 17.517 7.929 1.00 7.41 H new ATOM 1367 N GLU A 90 14.587 17.963 10.450 1.00 6.35 N ATOM 1368 CA GLU A 90 14.473 18.734 11.674 1.00 6.46 C ATOM 1369 C GLU A 90 13.573 18.008 12.677 1.00 6.45 C ATOM 1370 O GLU A 90 13.860 17.965 13.873 1.00 6.84 O ATOM 1371 CB GLU A 90 13.900 20.110 11.343 1.00 6.55 C ATOM 1372 CG GLU A 90 13.717 21.017 12.542 1.00 7.09 C ATOM 1373 CD GLU A 90 13.054 22.322 12.164 1.00 7.80 C ATOM 1374 OE1 GLU A 90 13.767 23.259 11.748 1.00 8.05 O ATOM 1375 OE2 GLU A 90 11.815 22.411 12.268 1.00 8.34 O ATOM 0 H GLU A 90 14.106 18.376 9.651 1.00 6.35 H new ATOM 0 HA GLU A 90 15.458 18.850 12.125 1.00 6.46 H new ATOM 0 HB2 GLU A 90 14.559 20.602 10.628 1.00 6.55 H new ATOM 0 HB3 GLU A 90 12.936 19.980 10.851 1.00 6.55 H new ATOM 0 HG2 GLU A 90 13.114 20.508 13.294 1.00 7.09 H new ATOM 0 HG3 GLU A 90 14.687 21.220 12.995 1.00 7.09 H new ATOM 1382 N ALA A 91 12.506 17.404 12.165 1.00 6.32 N ATOM 1383 CA ALA A 91 11.541 16.697 12.996 1.00 6.63 C ATOM 1384 C ALA A 91 12.111 15.361 13.436 1.00 6.98 C ATOM 1385 O ALA A 91 11.650 14.764 14.405 1.00 7.39 O ATOM 1386 CB ALA A 91 10.232 16.494 12.248 1.00 6.88 C ATOM 0 H ALA A 91 12.287 17.391 11.169 1.00 6.32 H new ATOM 0 HA ALA A 91 11.338 17.302 13.880 1.00 6.63 H new ATOM 0 HB1 ALA A 91 9.526 15.964 12.887 1.00 6.88 H new ATOM 0 HB2 ALA A 91 9.816 17.463 11.973 1.00 6.88 H new ATOM 0 HB3 ALA A 91 10.415 15.909 11.347 1.00 6.88 H new ATOM 1392 N MET A 92 13.110 14.902 12.692 1.00 7.07 N ATOM 1393 CA MET A 92 13.817 13.656 12.991 1.00 7.77 C ATOM 1394 C MET A 92 14.248 13.590 14.458 1.00 8.07 C ATOM 1395 O MET A 92 14.199 12.532 15.086 1.00 8.75 O ATOM 1396 CB MET A 92 15.045 13.522 12.089 1.00 8.13 C ATOM 1397 CG MET A 92 15.872 12.278 12.359 1.00 8.95 C ATOM 1398 SD MET A 92 14.956 10.757 12.053 1.00 9.67 S ATOM 1399 CE MET A 92 16.206 9.544 12.456 1.00 10.32 C ATOM 0 H MET A 92 13.456 15.382 11.861 1.00 7.07 H new ATOM 0 HA MET A 92 13.129 12.832 12.803 1.00 7.77 H new ATOM 0 HB2 MET A 92 14.720 13.512 11.049 1.00 8.13 H new ATOM 0 HB3 MET A 92 15.676 14.401 12.218 1.00 8.13 H new ATOM 0 HG2 MET A 92 16.762 12.294 11.730 1.00 8.95 H new ATOM 0 HG3 MET A 92 16.213 12.290 13.394 1.00 8.95 H new ATOM 0 HE1 MET A 92 16.124 8.697 11.775 1.00 10.32 H new ATOM 0 HE2 MET A 92 17.194 9.994 12.359 1.00 10.32 H new ATOM 0 HE3 MET A 92 16.063 9.201 13.481 1.00 10.32 H new ATOM 1409 N SER A 93 14.647 14.730 15.005 1.00 7.80 N ATOM 1410 CA SER A 93 15.115 14.793 16.382 1.00 8.38 C ATOM 1411 C SER A 93 13.964 14.533 17.361 1.00 8.44 C ATOM 1412 O SER A 93 14.176 14.044 18.468 1.00 9.14 O ATOM 1413 CB SER A 93 15.753 16.161 16.650 1.00 8.44 C ATOM 1414 OG SER A 93 16.412 16.194 17.904 1.00 8.68 O ATOM 0 H SER A 93 14.656 15.625 14.515 1.00 7.80 H new ATOM 0 HA SER A 93 15.865 14.016 16.534 1.00 8.38 H new ATOM 0 HB2 SER A 93 16.465 16.392 15.858 1.00 8.44 H new ATOM 0 HB3 SER A 93 14.984 16.933 16.622 1.00 8.44 H new ATOM 0 HG SER A 93 16.809 17.080 18.042 1.00 8.68 H new ATOM 1420 N GLN A 94 12.747 14.861 16.943 1.00 7.90 N ATOM 1421 CA GLN A 94 11.565 14.650 17.772 1.00 8.16 C ATOM 1422 C GLN A 94 11.000 13.240 17.579 1.00 8.55 C ATOM 1423 O GLN A 94 10.688 12.548 18.545 1.00 9.08 O ATOM 1424 CB GLN A 94 10.492 15.690 17.440 1.00 7.85 C ATOM 1425 CG GLN A 94 10.933 17.127 17.676 1.00 8.03 C ATOM 1426 CD GLN A 94 11.194 17.433 19.139 1.00 8.38 C ATOM 1427 OE1 GLN A 94 10.291 17.841 19.870 1.00 8.64 O ATOM 1428 NE2 GLN A 94 12.429 17.255 19.576 1.00 8.68 N ATOM 0 H GLN A 94 12.552 15.276 16.032 1.00 7.90 H new ATOM 0 HA GLN A 94 11.862 14.761 18.815 1.00 8.16 H new ATOM 0 HB2 GLN A 94 10.201 15.576 16.396 1.00 7.85 H new ATOM 0 HB3 GLN A 94 9.606 15.489 18.042 1.00 7.85 H new ATOM 0 HG2 GLN A 94 11.839 17.322 17.102 1.00 8.03 H new ATOM 0 HG3 GLN A 94 10.165 17.803 17.300 1.00 8.03 H new ATOM 0 HE21 GLN A 94 13.151 16.915 18.940 1.00 8.68 H new ATOM 0 HE22 GLN A 94 12.660 17.457 20.549 1.00 8.68 H new ATOM 1437 N VAL A 95 10.884 12.817 16.321 1.00 8.52 N ATOM 1438 CA VAL A 95 10.256 11.536 15.987 1.00 9.16 C ATOM 1439 C VAL A 95 11.081 10.346 16.474 1.00 9.86 C ATOM 1440 O VAL A 95 10.560 9.237 16.600 1.00 10.49 O ATOM 1441 CB VAL A 95 9.991 11.392 14.472 1.00 9.36 C ATOM 1442 CG1 VAL A 95 9.067 12.498 13.982 1.00 9.64 C ATOM 1443 CG2 VAL A 95 11.293 11.393 13.693 1.00 9.49 C ATOM 0 H VAL A 95 11.217 13.343 15.513 1.00 8.52 H new ATOM 0 HA VAL A 95 9.299 11.533 16.508 1.00 9.16 H new ATOM 0 HB VAL A 95 9.498 10.435 14.302 1.00 9.36 H new ATOM 0 HG11 VAL A 95 8.892 12.379 12.913 1.00 9.64 H new ATOM 0 HG12 VAL A 95 8.117 12.440 14.513 1.00 9.64 H new ATOM 0 HG13 VAL A 95 9.529 13.467 14.169 1.00 9.64 H new ATOM 0 HG21 VAL A 95 11.080 11.290 12.629 1.00 9.49 H new ATOM 0 HG22 VAL A 95 11.821 12.330 13.869 1.00 9.49 H new ATOM 0 HG23 VAL A 95 11.914 10.559 14.021 1.00 9.49 H new ATOM 1453 N THR A 96 12.367 10.568 16.729 1.00 9.91 N ATOM 1454 CA THR A 96 13.222 9.528 17.294 1.00 10.78 C ATOM 1455 C THR A 96 12.759 9.148 18.701 1.00 11.00 C ATOM 1456 O THR A 96 13.077 8.073 19.209 1.00 11.80 O ATOM 1457 CB THR A 96 14.696 9.973 17.331 1.00 11.07 C ATOM 1458 OG1 THR A 96 14.772 11.395 17.492 1.00 10.84 O ATOM 1459 CG2 THR A 96 15.421 9.562 16.060 1.00 11.70 C ATOM 0 H THR A 96 12.839 11.455 16.554 1.00 9.91 H new ATOM 0 HA THR A 96 13.142 8.654 16.647 1.00 10.78 H new ATOM 0 HB THR A 96 15.179 9.483 18.177 1.00 11.07 H new ATOM 0 HG1 THR A 96 14.714 11.827 16.614 1.00 10.84 H new ATOM 0 HG21 THR A 96 16.460 9.888 16.112 1.00 11.70 H new ATOM 0 HG22 THR A 96 15.386 8.478 15.956 1.00 11.70 H new ATOM 0 HG23 THR A 96 14.938 10.025 15.200 1.00 11.70 H new ATOM 1467 N ASN A 97 11.998 10.042 19.318 1.00 10.45 N ATOM 1468 CA ASN A 97 11.366 9.780 20.599 1.00 10.82 C ATOM 1469 C ASN A 97 9.866 9.998 20.441 1.00 10.83 C ATOM 1470 O ASN A 97 9.309 10.984 20.929 1.00 10.47 O ATOM 1471 CB ASN A 97 11.927 10.702 21.689 1.00 10.70 C ATOM 1472 CG ASN A 97 13.407 10.488 21.942 1.00 11.05 C ATOM 1473 OD1 ASN A 97 13.796 9.674 22.779 1.00 11.34 O ATOM 1474 ND2 ASN A 97 14.243 11.223 21.229 1.00 11.26 N ATOM 0 H ASN A 97 11.803 10.970 18.942 1.00 10.45 H new ATOM 0 HA ASN A 97 11.570 8.754 20.904 1.00 10.82 H new ATOM 0 HB2 ASN A 97 11.760 11.740 21.401 1.00 10.70 H new ATOM 0 HB3 ASN A 97 11.378 10.536 22.616 1.00 10.70 H new ATOM 0 HD21 ASN A 97 15.249 11.126 21.363 1.00 11.26 H new ATOM 0 HD22 ASN A 97 13.882 11.887 20.544 1.00 11.26 H new ATOM 1481 N PRO A 98 9.191 9.073 19.742 1.00 11.40 N ATOM 1482 CA PRO A 98 7.816 9.271 19.298 1.00 11.59 C ATOM 1483 C PRO A 98 6.793 9.014 20.388 1.00 11.38 C ATOM 1484 O PRO A 98 5.602 9.256 20.205 1.00 11.57 O ATOM 1485 CB PRO A 98 7.671 8.246 18.176 1.00 12.45 C ATOM 1486 CG PRO A 98 8.572 7.127 18.572 1.00 12.70 C ATOM 1487 CD PRO A 98 9.711 7.748 19.340 1.00 12.08 C ATOM 0 HA PRO A 98 7.633 10.302 18.994 1.00 11.59 H new ATOM 0 HB2 PRO A 98 6.639 7.909 18.078 1.00 12.45 H new ATOM 0 HB3 PRO A 98 7.961 8.668 17.214 1.00 12.45 H new ATOM 0 HG2 PRO A 98 8.041 6.400 19.186 1.00 12.70 H new ATOM 0 HG3 PRO A 98 8.940 6.595 17.694 1.00 12.70 H new ATOM 0 HD2 PRO A 98 9.983 7.146 20.207 1.00 12.08 H new ATOM 0 HD3 PRO A 98 10.605 7.840 18.723 1.00 12.08 H new ATOM 1495 N ALA A 99 7.268 8.552 21.525 1.00 11.13 N ATOM 1496 CA ALA A 99 6.387 8.200 22.619 1.00 11.14 C ATOM 1497 C ALA A 99 5.833 9.445 23.290 1.00 10.78 C ATOM 1498 O ALA A 99 4.723 9.436 23.825 1.00 10.91 O ATOM 1499 CB ALA A 99 7.125 7.336 23.625 1.00 11.25 C ATOM 0 H ALA A 99 8.260 8.411 21.716 1.00 11.13 H new ATOM 0 HA ALA A 99 5.547 7.633 22.217 1.00 11.14 H new ATOM 0 HB1 ALA A 99 6.454 7.077 24.444 1.00 11.25 H new ATOM 0 HB2 ALA A 99 7.471 6.425 23.137 1.00 11.25 H new ATOM 0 HB3 ALA A 99 7.981 7.885 24.018 1.00 11.25 H new ATOM 1505 N THR A 100 6.614 10.508 23.290 1.00 10.51 N ATOM 1506 CA THR A 100 6.199 11.734 23.928 1.00 10.39 C ATOM 1507 C THR A 100 5.465 12.643 22.963 1.00 10.51 C ATOM 1508 O THR A 100 4.270 12.895 23.101 1.00 10.58 O ATOM 1509 CB THR A 100 7.407 12.471 24.527 1.00 10.40 C ATOM 1510 OG1 THR A 100 8.478 12.485 23.573 1.00 10.60 O ATOM 1511 CG2 THR A 100 7.872 11.800 25.810 1.00 10.63 C ATOM 0 H THR A 100 7.536 10.544 22.856 1.00 10.51 H new ATOM 0 HA THR A 100 5.512 11.466 24.731 1.00 10.39 H new ATOM 0 HB THR A 100 7.108 13.492 24.764 1.00 10.40 H new ATOM 0 HG1 THR A 100 9.249 12.956 23.953 1.00 10.60 H new ATOM 0 HG21 THR A 100 8.728 12.341 26.214 1.00 10.63 H new ATOM 0 HG22 THR A 100 7.061 11.807 26.539 1.00 10.63 H new ATOM 0 HG23 THR A 100 8.160 10.770 25.598 1.00 10.63 H new ATOM 1519 N ILE A 101 6.192 13.101 21.965 1.00 10.71 N ATOM 1520 CA ILE A 101 5.703 14.140 21.073 1.00 11.06 C ATOM 1521 C ILE A 101 4.881 13.573 19.932 1.00 11.17 C ATOM 1522 O ILE A 101 3.736 13.978 19.709 1.00 11.41 O ATOM 1523 CB ILE A 101 6.872 14.951 20.477 1.00 11.57 C ATOM 1524 CG1 ILE A 101 7.786 15.479 21.585 1.00 11.88 C ATOM 1525 CG2 ILE A 101 6.350 16.098 19.619 1.00 11.78 C ATOM 1526 CD1 ILE A 101 7.113 16.447 22.539 1.00 12.53 C ATOM 0 H ILE A 101 7.132 12.769 21.748 1.00 10.71 H new ATOM 0 HA ILE A 101 5.068 14.787 21.678 1.00 11.06 H new ATOM 0 HB ILE A 101 7.457 14.287 19.841 1.00 11.57 H new ATOM 0 HG12 ILE A 101 8.172 14.634 22.155 1.00 11.88 H new ATOM 0 HG13 ILE A 101 8.643 15.974 21.128 1.00 11.88 H new ATOM 0 HG21 ILE A 101 7.191 16.657 19.208 1.00 11.78 H new ATOM 0 HG22 ILE A 101 5.748 15.698 18.804 1.00 11.78 H new ATOM 0 HG23 ILE A 101 5.738 16.761 20.231 1.00 11.78 H new ATOM 0 HD11 ILE A 101 7.830 16.773 23.293 1.00 12.53 H new ATOM 0 HD12 ILE A 101 6.752 17.313 21.984 1.00 12.53 H new ATOM 0 HD13 ILE A 101 6.273 15.952 23.027 1.00 12.53 H new ATOM 1538 N MET A 102 5.466 12.619 19.230 1.00 11.16 N ATOM 1539 CA MET A 102 4.923 12.157 17.954 1.00 11.48 C ATOM 1540 C MET A 102 3.535 11.543 18.110 1.00 11.29 C ATOM 1541 O MET A 102 2.695 11.665 17.216 1.00 11.61 O ATOM 1542 CB MET A 102 5.878 11.157 17.302 1.00 11.78 C ATOM 1543 CG MET A 102 5.479 10.741 15.896 1.00 12.25 C ATOM 1544 SD MET A 102 6.694 9.649 15.129 1.00 12.74 S ATOM 1545 CE MET A 102 5.934 9.371 13.531 1.00 13.25 C ATOM 0 H MET A 102 6.321 12.144 19.519 1.00 11.16 H new ATOM 0 HA MET A 102 4.821 13.029 17.308 1.00 11.48 H new ATOM 0 HB2 MET A 102 6.877 11.593 17.270 1.00 11.78 H new ATOM 0 HB3 MET A 102 5.938 10.267 17.929 1.00 11.78 H new ATOM 0 HG2 MET A 102 4.513 10.238 15.930 1.00 12.25 H new ATOM 0 HG3 MET A 102 5.354 11.631 15.279 1.00 12.25 H new ATOM 0 HE1 MET A 102 6.567 8.712 12.937 1.00 13.25 H new ATOM 0 HE2 MET A 102 4.957 8.908 13.668 1.00 13.25 H new ATOM 0 HE3 MET A 102 5.815 10.323 13.014 1.00 13.25 H new ATOM 1555 N ILE A 103 3.280 10.894 19.238 1.00 10.93 N ATOM 1556 CA ILE A 103 1.993 10.241 19.429 1.00 10.95 C ATOM 1557 C ILE A 103 0.975 11.210 20.030 1.00 10.91 C ATOM 1558 O ILE A 103 -0.211 11.168 19.696 1.00 11.12 O ATOM 1559 CB ILE A 103 2.117 8.966 20.297 1.00 10.89 C ATOM 1560 CG1 ILE A 103 0.807 8.176 20.273 1.00 11.10 C ATOM 1561 CG2 ILE A 103 2.504 9.313 21.725 1.00 11.06 C ATOM 1562 CD1 ILE A 103 0.899 6.835 20.965 1.00 11.41 C ATOM 0 H ILE A 103 3.931 10.806 20.018 1.00 10.93 H new ATOM 0 HA ILE A 103 1.637 9.932 18.446 1.00 10.95 H new ATOM 0 HB ILE A 103 2.907 8.345 19.876 1.00 10.89 H new ATOM 0 HG12 ILE A 103 0.026 8.769 20.749 1.00 11.10 H new ATOM 0 HG13 ILE A 103 0.504 8.022 19.237 1.00 11.10 H new ATOM 0 HG21 ILE A 103 2.584 8.399 22.313 1.00 11.06 H new ATOM 0 HG22 ILE A 103 3.463 9.830 21.726 1.00 11.06 H new ATOM 0 HG23 ILE A 103 1.743 9.959 22.162 1.00 11.06 H new ATOM 0 HD11 ILE A 103 -0.065 6.330 20.910 1.00 11.41 H new ATOM 0 HD12 ILE A 103 1.657 6.224 20.475 1.00 11.41 H new ATOM 0 HD13 ILE A 103 1.172 6.983 22.010 1.00 11.41 H new ATOM 1574 N GLN A 104 1.451 12.111 20.885 1.00 10.83 N ATOM 1575 CA GLN A 104 0.580 13.072 21.545 1.00 11.03 C ATOM 1576 C GLN A 104 0.061 14.087 20.538 1.00 11.28 C ATOM 1577 O GLN A 104 -1.141 14.305 20.428 1.00 11.50 O ATOM 1578 CB GLN A 104 1.325 13.789 22.673 1.00 11.19 C ATOM 1579 CG GLN A 104 0.425 14.652 23.546 1.00 11.48 C ATOM 1580 CD GLN A 104 -0.600 13.838 24.318 1.00 11.71 C ATOM 1581 OE1 GLN A 104 -0.240 12.620 24.688 1.00 11.93 O flip ATOM 1582 NE2 GLN A 104 -1.706 14.305 24.589 1.00 11.88 N flip ATOM 0 H GLN A 104 2.436 12.194 21.136 1.00 10.83 H new ATOM 0 HA GLN A 104 -0.264 12.533 21.974 1.00 11.03 H new ATOM 0 HB2 GLN A 104 1.821 13.047 23.299 1.00 11.19 H new ATOM 0 HB3 GLN A 104 2.106 14.415 22.241 1.00 11.19 H new ATOM 0 HG2 GLN A 104 1.039 15.215 24.249 1.00 11.48 H new ATOM 0 HG3 GLN A 104 -0.092 15.380 22.920 1.00 11.48 H new ATOM 0 HE21 GLN A 104 -1.949 15.249 24.287 1.00 11.88 H new ATOM 0 HE22 GLN A 104 -2.379 13.749 25.115 1.00 11.88 H new ATOM 1591 N LYS A 105 0.977 14.685 19.784 1.00 11.41 N ATOM 1592 CA LYS A 105 0.615 15.689 18.790 1.00 11.86 C ATOM 1593 C LYS A 105 -0.208 15.069 17.667 1.00 11.85 C ATOM 1594 O LYS A 105 -0.929 15.765 16.953 1.00 12.20 O ATOM 1595 CB LYS A 105 1.869 16.357 18.224 1.00 12.25 C ATOM 1596 CG LYS A 105 2.601 17.230 19.233 1.00 12.76 C ATOM 1597 CD LYS A 105 1.798 18.476 19.576 1.00 13.39 C ATOM 1598 CE LYS A 105 2.476 19.304 20.657 1.00 14.09 C ATOM 1599 NZ LYS A 105 2.486 18.605 21.971 1.00 14.37 N ATOM 0 H LYS A 105 1.977 14.492 19.842 1.00 11.41 H new ATOM 0 HA LYS A 105 0.006 16.448 19.281 1.00 11.86 H new ATOM 0 HB2 LYS A 105 2.549 15.586 17.862 1.00 12.25 H new ATOM 0 HB3 LYS A 105 1.590 16.966 17.364 1.00 12.25 H new ATOM 0 HG2 LYS A 105 2.792 16.657 20.141 1.00 12.76 H new ATOM 0 HG3 LYS A 105 3.571 17.520 18.829 1.00 12.76 H new ATOM 0 HD2 LYS A 105 1.669 19.083 18.680 1.00 13.39 H new ATOM 0 HD3 LYS A 105 0.802 18.186 19.911 1.00 13.39 H new ATOM 0 HE2 LYS A 105 3.500 19.524 20.356 1.00 14.09 H new ATOM 0 HE3 LYS A 105 1.961 20.259 20.758 1.00 14.09 H new ATOM 0 HZ1 LYS A 105 2.784 19.268 22.715 1.00 14.37 H new ATOM 0 HZ2 LYS A 105 1.531 18.252 22.184 1.00 14.37 H new ATOM 0 HZ3 LYS A 105 3.150 17.805 21.934 1.00 14.37 H new ATOM 1613 N GLY A 106 -0.102 13.759 17.514 1.00 11.60 N ATOM 1614 CA GLY A 106 -0.886 13.072 16.516 1.00 11.77 C ATOM 1615 C GLY A 106 -2.322 12.880 16.957 1.00 11.76 C ATOM 1616 O GLY A 106 -3.241 13.438 16.359 1.00 12.03 O ATOM 0 H GLY A 106 0.514 13.161 18.064 1.00 11.60 H new ATOM 0 HA2 GLY A 106 -0.865 13.639 15.585 1.00 11.77 H new ATOM 0 HA3 GLY A 106 -0.438 12.101 16.308 1.00 11.77 H new ATOM 1620 N ASN A 107 -2.511 12.128 18.035 1.00 11.60 N ATOM 1621 CA ASN A 107 -3.848 11.747 18.489 1.00 11.78 C ATOM 1622 C ASN A 107 -4.620 12.931 19.068 1.00 12.07 C ATOM 1623 O ASN A 107 -5.815 13.089 18.805 1.00 12.33 O ATOM 1624 CB ASN A 107 -3.754 10.635 19.540 1.00 11.85 C ATOM 1625 CG ASN A 107 -5.116 10.148 20.009 1.00 11.96 C ATOM 1626 OD1 ASN A 107 -6.091 10.150 19.255 1.00 11.97 O ATOM 1627 ND2 ASN A 107 -5.195 9.730 21.262 1.00 12.28 N ATOM 0 H ASN A 107 -1.753 11.767 18.615 1.00 11.60 H new ATOM 0 HA ASN A 107 -4.392 11.388 17.616 1.00 11.78 H new ATOM 0 HB2 ASN A 107 -3.197 9.795 19.125 1.00 11.85 H new ATOM 0 HB3 ASN A 107 -3.189 10.999 20.398 1.00 11.85 H new ATOM 0 HD21 ASN A 107 -6.084 9.395 21.633 1.00 12.28 H new ATOM 0 HD22 ASN A 107 -4.367 9.743 21.857 1.00 12.28 H new ATOM 1634 N PHE A 108 -3.939 13.763 19.850 1.00 12.19 N ATOM 1635 CA PHE A 108 -4.599 14.856 20.559 1.00 12.69 C ATOM 1636 C PHE A 108 -5.154 15.889 19.582 1.00 12.92 C ATOM 1637 O PHE A 108 -6.225 16.458 19.806 1.00 13.36 O ATOM 1638 CB PHE A 108 -3.628 15.522 21.542 1.00 13.02 C ATOM 1639 CG PHE A 108 -4.284 16.482 22.492 1.00 13.41 C ATOM 1640 CD1 PHE A 108 -4.258 17.844 22.243 1.00 13.60 C ATOM 1641 CD2 PHE A 108 -4.928 16.024 23.631 1.00 13.76 C ATOM 1642 CE1 PHE A 108 -4.864 18.732 23.110 1.00 14.16 C ATOM 1643 CE2 PHE A 108 -5.535 16.909 24.502 1.00 14.30 C ATOM 1644 CZ PHE A 108 -5.492 18.253 24.258 1.00 14.51 C ATOM 0 H PHE A 108 -2.933 13.702 20.009 1.00 12.19 H new ATOM 0 HA PHE A 108 -5.434 14.436 21.120 1.00 12.69 H new ATOM 0 HB2 PHE A 108 -3.121 14.747 22.117 1.00 13.02 H new ATOM 0 HB3 PHE A 108 -2.862 16.053 20.977 1.00 13.02 H new ATOM 0 HD1 PHE A 108 -3.758 18.216 21.361 1.00 13.60 H new ATOM 0 HD2 PHE A 108 -4.956 14.965 23.840 1.00 13.76 H new ATOM 0 HE1 PHE A 108 -4.851 19.791 22.899 1.00 14.16 H new ATOM 0 HE2 PHE A 108 -6.045 16.537 25.378 1.00 14.30 H new ATOM 0 HZ PHE A 108 -5.944 18.943 24.954 1.00 14.51 H new ATOM 1654 N ARG A 109 -4.429 16.128 18.498 1.00 12.75 N ATOM 1655 CA ARG A 109 -4.883 17.073 17.488 1.00 13.13 C ATOM 1656 C ARG A 109 -5.916 16.422 16.577 1.00 13.11 C ATOM 1657 O ARG A 109 -7.001 16.966 16.370 1.00 13.55 O ATOM 1658 CB ARG A 109 -3.711 17.603 16.659 1.00 13.21 C ATOM 1659 CG ARG A 109 -2.745 18.470 17.449 1.00 13.63 C ATOM 1660 CD ARG A 109 -1.735 19.153 16.539 1.00 13.95 C ATOM 1661 NE ARG A 109 -0.955 18.193 15.758 1.00 14.26 N ATOM 1662 CZ ARG A 109 -0.083 18.535 14.809 1.00 14.71 C ATOM 1663 NH1 ARG A 109 0.139 19.814 14.536 1.00 14.89 N ATOM 1664 NH2 ARG A 109 0.566 17.596 14.131 1.00 15.12 N ATOM 0 H ARG A 109 -3.532 15.685 18.296 1.00 12.75 H new ATOM 0 HA ARG A 109 -5.344 17.916 18.003 1.00 13.13 H new ATOM 0 HB2 ARG A 109 -3.165 16.759 16.237 1.00 13.21 H new ATOM 0 HB3 ARG A 109 -4.102 18.181 15.822 1.00 13.21 H new ATOM 0 HG2 ARG A 109 -3.303 19.223 18.005 1.00 13.63 H new ATOM 0 HG3 ARG A 109 -2.220 17.857 18.181 1.00 13.63 H new ATOM 0 HD2 ARG A 109 -2.258 19.829 15.863 1.00 13.95 H new ATOM 0 HD3 ARG A 109 -1.060 19.762 17.141 1.00 13.95 H new ATOM 0 HE ARG A 109 -1.086 17.200 15.951 1.00 14.26 H new ATOM 0 HH11 ARG A 109 -0.358 20.540 15.053 1.00 14.89 H new ATOM 0 HH12 ARG A 109 0.807 20.072 13.809 1.00 14.89 H new ATOM 0 HH21 ARG A 109 0.398 16.611 14.336 1.00 15.12 H new ATOM 0 HH22 ARG A 109 1.233 17.860 13.405 1.00 15.12 H new ATOM 1678 N ASN A 110 -5.572 15.257 16.041 1.00 12.73 N ATOM 1679 CA ASN A 110 -6.463 14.515 15.153 1.00 12.86 C ATOM 1680 C ASN A 110 -5.864 13.157 14.788 1.00 12.47 C ATOM 1681 O ASN A 110 -6.284 12.126 15.317 1.00 12.44 O ATOM 1682 CB ASN A 110 -6.801 15.325 13.883 1.00 13.08 C ATOM 1683 CG ASN A 110 -5.632 16.128 13.317 1.00 13.55 C ATOM 1684 OD1 ASN A 110 -4.466 15.740 13.423 1.00 13.74 O ATOM 1685 ND2 ASN A 110 -5.939 17.263 12.711 1.00 13.93 N ATOM 0 H ASN A 110 -4.675 14.801 16.207 1.00 12.73 H new ATOM 0 HA ASN A 110 -7.394 14.343 15.692 1.00 12.86 H new ATOM 0 HB2 ASN A 110 -7.161 14.640 13.115 1.00 13.08 H new ATOM 0 HB3 ASN A 110 -7.619 16.008 14.110 1.00 13.08 H new ATOM 0 HD21 ASN A 110 -5.201 17.845 12.315 1.00 13.93 H new ATOM 0 HD22 ASN A 110 -6.913 17.556 12.640 1.00 13.93 H new ATOM 1692 N GLN A 111 -4.879 13.171 13.902 1.00 12.38 N ATOM 1693 CA GLN A 111 -4.162 11.971 13.488 1.00 12.20 C ATOM 1694 C GLN A 111 -3.071 12.376 12.506 1.00 11.61 C ATOM 1695 O GLN A 111 -3.246 13.347 11.772 1.00 11.50 O ATOM 1696 CB GLN A 111 -5.110 10.949 12.842 1.00 12.57 C ATOM 1697 CG GLN A 111 -4.441 9.633 12.469 1.00 13.05 C ATOM 1698 CD GLN A 111 -3.820 8.933 13.663 1.00 13.63 C ATOM 1699 OE1 GLN A 111 -2.660 9.174 14.001 1.00 13.90 O ATOM 1700 NE2 GLN A 111 -4.579 8.056 14.299 1.00 14.01 N ATOM 0 H GLN A 111 -4.551 14.022 13.446 1.00 12.38 H new ATOM 0 HA GLN A 111 -3.722 11.496 14.365 1.00 12.20 H new ATOM 0 HB2 GLN A 111 -5.931 10.745 13.529 1.00 12.57 H new ATOM 0 HB3 GLN A 111 -5.547 11.390 11.946 1.00 12.57 H new ATOM 0 HG2 GLN A 111 -5.177 8.974 12.009 1.00 13.05 H new ATOM 0 HG3 GLN A 111 -3.670 9.821 11.722 1.00 13.05 H new ATOM 0 HE21 GLN A 111 -5.535 7.887 13.986 1.00 14.01 H new ATOM 0 HE22 GLN A 111 -4.208 7.549 15.103 1.00 14.01 H new ATOM 1709 N ARG A 112 -1.949 11.676 12.488 1.00 11.45 N ATOM 1710 CA ARG A 112 -0.855 12.051 11.595 1.00 11.12 C ATOM 1711 C ARG A 112 -1.307 12.004 10.134 1.00 10.61 C ATOM 1712 O ARG A 112 -1.106 12.955 9.374 1.00 10.60 O ATOM 1713 CB ARG A 112 0.354 11.136 11.789 1.00 11.41 C ATOM 1714 CG ARG A 112 1.521 11.500 10.885 1.00 11.96 C ATOM 1715 CD ARG A 112 2.661 10.505 10.996 1.00 12.50 C ATOM 1716 NE ARG A 112 3.751 10.833 10.077 1.00 13.09 N ATOM 1717 CZ ARG A 112 4.709 9.979 9.721 1.00 13.79 C ATOM 1718 NH1 ARG A 112 4.719 8.744 10.207 1.00 14.01 N ATOM 1719 NH2 ARG A 112 5.655 10.360 8.874 1.00 14.43 N ATOM 0 H ARG A 112 -1.769 10.858 13.069 1.00 11.45 H new ATOM 0 HA ARG A 112 -0.563 13.071 11.845 1.00 11.12 H new ATOM 0 HB2 ARG A 112 0.677 11.185 12.829 1.00 11.41 H new ATOM 0 HB3 ARG A 112 0.058 10.105 11.595 1.00 11.41 H new ATOM 0 HG2 ARG A 112 1.178 11.544 9.851 1.00 11.96 H new ATOM 0 HG3 ARG A 112 1.883 12.495 11.144 1.00 11.96 H new ATOM 0 HD2 ARG A 112 3.037 10.494 12.019 1.00 12.50 H new ATOM 0 HD3 ARG A 112 2.292 9.502 10.781 1.00 12.50 H new ATOM 0 HE ARG A 112 3.779 11.774 9.685 1.00 13.09 H new ATOM 0 HH11 ARG A 112 3.991 8.445 10.856 1.00 14.01 H new ATOM 0 HH12 ARG A 112 5.455 8.093 9.931 1.00 14.01 H new ATOM 0 HH21 ARG A 112 5.649 11.307 8.495 1.00 14.43 H new ATOM 0 HH22 ARG A 112 6.389 9.706 8.601 1.00 14.43 H new ATOM 1733 N LYS A 113 -1.951 10.907 9.760 1.00 10.40 N ATOM 1734 CA LYS A 113 -2.350 10.682 8.374 1.00 10.14 C ATOM 1735 C LYS A 113 -3.657 11.399 8.020 1.00 9.74 C ATOM 1736 O LYS A 113 -4.272 11.104 6.997 1.00 9.59 O ATOM 1737 CB LYS A 113 -2.489 9.181 8.107 1.00 10.36 C ATOM 1738 CG LYS A 113 -3.523 8.499 8.988 1.00 10.98 C ATOM 1739 CD LYS A 113 -3.587 7.004 8.732 1.00 11.43 C ATOM 1740 CE LYS A 113 -4.614 6.341 9.630 1.00 11.95 C ATOM 1741 NZ LYS A 113 -4.680 4.874 9.413 1.00 12.41 N ATOM 0 H LYS A 113 -2.210 10.155 10.399 1.00 10.40 H new ATOM 0 HA LYS A 113 -1.568 11.100 7.740 1.00 10.14 H new ATOM 0 HB2 LYS A 113 -2.758 9.030 7.062 1.00 10.36 H new ATOM 0 HB3 LYS A 113 -1.522 8.702 8.259 1.00 10.36 H new ATOM 0 HG2 LYS A 113 -3.282 8.678 10.036 1.00 10.98 H new ATOM 0 HG3 LYS A 113 -4.503 8.941 8.806 1.00 10.98 H new ATOM 0 HD2 LYS A 113 -3.840 6.821 7.688 1.00 11.43 H new ATOM 0 HD3 LYS A 113 -2.607 6.560 8.905 1.00 11.43 H new ATOM 0 HE2 LYS A 113 -4.367 6.542 10.672 1.00 11.95 H new ATOM 0 HE3 LYS A 113 -5.595 6.779 9.444 1.00 11.95 H new ATOM 0 HZ1 LYS A 113 -5.394 4.461 10.047 1.00 12.41 H new ATOM 0 HZ2 LYS A 113 -4.941 4.681 8.425 1.00 12.41 H new ATOM 0 HZ3 LYS A 113 -3.752 4.451 9.615 1.00 12.41 H new ATOM 1755 N THR A 114 -4.073 12.351 8.849 1.00 9.83 N ATOM 1756 CA THR A 114 -5.298 13.102 8.583 1.00 9.78 C ATOM 1757 C THR A 114 -5.069 14.100 7.450 1.00 9.62 C ATOM 1758 O THR A 114 -6.015 14.649 6.884 1.00 9.64 O ATOM 1759 CB THR A 114 -5.799 13.858 9.838 1.00 10.31 C ATOM 1760 OG1 THR A 114 -7.183 14.202 9.689 1.00 10.49 O ATOM 1761 CG2 THR A 114 -4.993 15.131 10.074 1.00 10.80 C ATOM 0 H THR A 114 -3.586 12.620 9.704 1.00 9.83 H new ATOM 0 HA THR A 114 -6.062 12.380 8.295 1.00 9.78 H new ATOM 0 HB THR A 114 -5.671 13.197 10.695 1.00 10.31 H new ATOM 0 HG1 THR A 114 -7.361 14.444 8.756 1.00 10.49 H new ATOM 0 HG21 THR A 114 -5.368 15.640 10.962 1.00 10.80 H new ATOM 0 HG22 THR A 114 -3.943 14.875 10.219 1.00 10.80 H new ATOM 0 HG23 THR A 114 -5.091 15.789 9.210 1.00 10.80 H new ATOM 1769 N VAL A 115 -3.799 14.325 7.133 1.00 9.74 N ATOM 1770 CA VAL A 115 -3.415 15.279 6.105 1.00 9.92 C ATOM 1771 C VAL A 115 -3.478 14.625 4.722 1.00 9.30 C ATOM 1772 O VAL A 115 -3.174 15.249 3.709 1.00 9.52 O ATOM 1773 CB VAL A 115 -1.985 15.816 6.368 1.00 10.85 C ATOM 1774 CG1 VAL A 115 -1.677 17.029 5.504 1.00 11.22 C ATOM 1775 CG2 VAL A 115 -1.806 16.153 7.841 1.00 11.44 C ATOM 0 H VAL A 115 -3.013 13.853 7.580 1.00 9.74 H new ATOM 0 HA VAL A 115 -4.115 16.114 6.135 1.00 9.92 H new ATOM 0 HB VAL A 115 -1.280 15.029 6.099 1.00 10.85 H new ATOM 0 HG11 VAL A 115 -0.666 17.379 5.715 1.00 11.22 H new ATOM 0 HG12 VAL A 115 -1.754 16.755 4.452 1.00 11.22 H new ATOM 0 HG13 VAL A 115 -2.389 17.824 5.725 1.00 11.22 H new ATOM 0 HG21 VAL A 115 -0.797 16.529 8.008 1.00 11.44 H new ATOM 0 HG22 VAL A 115 -2.529 16.915 8.130 1.00 11.44 H new ATOM 0 HG23 VAL A 115 -1.964 15.257 8.441 1.00 11.44 H new ATOM 1785 N LYS A 116 -3.877 13.360 4.684 1.00 8.75 N ATOM 1786 CA LYS A 116 -3.970 12.642 3.424 1.00 8.35 C ATOM 1787 C LYS A 116 -5.429 12.432 3.048 1.00 7.64 C ATOM 1788 O LYS A 116 -6.258 12.078 3.891 1.00 7.40 O ATOM 1789 CB LYS A 116 -3.264 11.283 3.497 1.00 8.50 C ATOM 1790 CG LYS A 116 -1.972 11.282 4.310 1.00 9.04 C ATOM 1791 CD LYS A 116 -0.926 12.248 3.765 1.00 9.56 C ATOM 1792 CE LYS A 116 -0.423 11.831 2.393 1.00 10.24 C ATOM 1793 NZ LYS A 116 0.723 12.668 1.943 1.00 10.72 N ATOM 0 H LYS A 116 -4.139 12.815 5.506 1.00 8.75 H new ATOM 0 HA LYS A 116 -3.475 13.246 2.664 1.00 8.35 H new ATOM 0 HB2 LYS A 116 -3.950 10.554 3.929 1.00 8.50 H new ATOM 0 HB3 LYS A 116 -3.041 10.949 2.484 1.00 8.50 H new ATOM 0 HG2 LYS A 116 -2.199 11.545 5.343 1.00 9.04 H new ATOM 0 HG3 LYS A 116 -1.557 10.274 4.322 1.00 9.04 H new ATOM 0 HD2 LYS A 116 -1.354 13.249 3.705 1.00 9.56 H new ATOM 0 HD3 LYS A 116 -0.086 12.301 4.458 1.00 9.56 H new ATOM 0 HE2 LYS A 116 -0.119 10.785 2.420 1.00 10.24 H new ATOM 0 HE3 LYS A 116 -1.235 11.908 1.670 1.00 10.24 H new ATOM 0 HZ1 LYS A 116 1.036 12.351 1.003 1.00 10.72 H new ATOM 0 HZ2 LYS A 116 0.427 13.664 1.892 1.00 10.72 H new ATOM 0 HZ3 LYS A 116 1.508 12.575 2.619 1.00 10.72 H new ATOM 1807 N CYS A 117 -5.741 12.673 1.789 1.00 7.61 N ATOM 1808 CA CYS A 117 -7.067 12.420 1.264 1.00 7.28 C ATOM 1809 C CYS A 117 -7.290 10.938 1.038 1.00 6.81 C ATOM 1810 O CYS A 117 -6.842 10.392 0.029 1.00 6.94 O ATOM 1811 CB CYS A 117 -7.252 13.122 -0.072 1.00 7.77 C ATOM 1812 SG CYS A 117 -7.377 14.912 0.002 1.00 8.16 S ATOM 0 H CYS A 117 -5.084 13.048 1.104 1.00 7.61 H new ATOM 0 HA CYS A 117 -7.780 12.796 1.998 1.00 7.28 H new ATOM 0 HB2 CYS A 117 -6.414 12.861 -0.718 1.00 7.77 H new ATOM 0 HB3 CYS A 117 -8.153 12.732 -0.545 1.00 7.77 H new ATOM 1817 N PHE A 118 -7.980 10.286 1.955 1.00 6.60 N ATOM 1818 CA PHE A 118 -8.398 8.916 1.725 1.00 6.49 C ATOM 1819 C PHE A 118 -9.617 8.901 0.811 1.00 6.66 C ATOM 1820 O PHE A 118 -10.715 8.511 1.216 1.00 6.96 O ATOM 1821 CB PHE A 118 -8.689 8.204 3.048 1.00 6.75 C ATOM 1822 CG PHE A 118 -7.444 7.891 3.828 1.00 6.84 C ATOM 1823 CD1 PHE A 118 -6.912 8.825 4.704 1.00 7.09 C ATOM 1824 CD2 PHE A 118 -6.815 6.664 3.698 1.00 7.05 C ATOM 1825 CE1 PHE A 118 -5.775 8.540 5.434 1.00 7.55 C ATOM 1826 CE2 PHE A 118 -5.676 6.376 4.426 1.00 7.50 C ATOM 1827 CZ PHE A 118 -5.130 7.311 5.252 1.00 7.76 C ATOM 0 H PHE A 118 -8.260 10.676 2.855 1.00 6.60 H new ATOM 0 HA PHE A 118 -7.588 8.374 1.237 1.00 6.49 H new ATOM 0 HB2 PHE A 118 -9.345 8.829 3.655 1.00 6.75 H new ATOM 0 HB3 PHE A 118 -9.228 7.278 2.846 1.00 6.75 H new ATOM 0 HD1 PHE A 118 -7.392 9.786 4.817 1.00 7.09 H new ATOM 0 HD2 PHE A 118 -7.218 5.925 3.021 1.00 7.05 H new ATOM 0 HE1 PHE A 118 -5.387 9.259 6.140 1.00 7.55 H new ATOM 0 HE2 PHE A 118 -5.216 5.403 4.339 1.00 7.50 H new ATOM 0 HZ PHE A 118 -4.202 7.105 5.765 1.00 7.76 H new ATOM 1837 N ASN A 119 -9.396 9.353 -0.424 1.00 6.83 N ATOM 1838 CA ASN A 119 -10.434 9.408 -1.442 1.00 7.37 C ATOM 1839 C ASN A 119 -9.875 9.913 -2.775 1.00 7.84 C ATOM 1840 O ASN A 119 -10.181 9.356 -3.826 1.00 8.35 O ATOM 1841 CB ASN A 119 -11.622 10.278 -0.994 1.00 7.76 C ATOM 1842 CG ASN A 119 -11.338 11.768 -0.926 1.00 8.38 C ATOM 1843 OD1 ASN A 119 -10.222 12.205 -0.639 1.00 8.64 O ATOM 1844 ND2 ASN A 119 -12.365 12.561 -1.185 1.00 8.90 N ATOM 0 H ASN A 119 -8.488 9.691 -0.743 1.00 6.83 H new ATOM 0 HA ASN A 119 -10.798 8.391 -1.585 1.00 7.37 H new ATOM 0 HB2 ASN A 119 -12.453 10.113 -1.680 1.00 7.76 H new ATOM 0 HB3 ASN A 119 -11.949 9.941 -0.010 1.00 7.76 H new ATOM 0 HD21 ASN A 119 -12.249 13.574 -1.151 1.00 8.90 H new ATOM 0 HD22 ASN A 119 -13.273 12.160 -1.419 1.00 8.90 H new ATOM 1851 N CYS A 120 -9.044 10.955 -2.741 1.00 7.96 N ATOM 1852 CA CYS A 120 -8.521 11.531 -3.976 1.00 8.71 C ATOM 1853 C CYS A 120 -7.134 10.967 -4.294 1.00 8.75 C ATOM 1854 O CYS A 120 -6.482 11.387 -5.251 1.00 9.54 O ATOM 1855 CB CYS A 120 -8.508 13.074 -3.905 1.00 9.25 C ATOM 1856 SG CYS A 120 -6.910 13.831 -3.508 1.00 9.45 S ATOM 0 H CYS A 120 -8.724 11.410 -1.886 1.00 7.96 H new ATOM 0 HA CYS A 120 -9.185 11.249 -4.793 1.00 8.71 H new ATOM 0 HB2 CYS A 120 -8.846 13.466 -4.864 1.00 9.25 H new ATOM 0 HB3 CYS A 120 -9.235 13.391 -3.157 1.00 9.25 H new ATOM 1861 N GLY A 121 -6.697 9.994 -3.500 1.00 8.15 N ATOM 1862 CA GLY A 121 -5.436 9.328 -3.773 1.00 8.48 C ATOM 1863 C GLY A 121 -4.341 9.678 -2.784 1.00 8.66 C ATOM 1864 O GLY A 121 -3.258 10.094 -3.197 1.00 9.05 O ATOM 0 H GLY A 121 -7.192 9.656 -2.675 1.00 8.15 H new ATOM 0 HA2 GLY A 121 -5.594 8.250 -3.762 1.00 8.48 H new ATOM 0 HA3 GLY A 121 -5.105 9.591 -4.778 1.00 8.48 H new ATOM 1868 N LYS A 122 -4.638 9.521 -1.482 1.00 8.64 N ATOM 1869 CA LYS A 122 -3.675 9.743 -0.388 1.00 9.14 C ATOM 1870 C LYS A 122 -2.874 11.028 -0.588 1.00 9.38 C ATOM 1871 O LYS A 122 -1.683 11.089 -0.291 1.00 9.60 O ATOM 1872 CB LYS A 122 -2.727 8.535 -0.194 1.00 10.04 C ATOM 1873 CG LYS A 122 -1.805 8.242 -1.375 1.00 10.62 C ATOM 1874 CD LYS A 122 -0.716 7.235 -1.022 1.00 11.49 C ATOM 1875 CE LYS A 122 -1.284 5.861 -0.694 1.00 12.13 C ATOM 1876 NZ LYS A 122 -0.206 4.859 -0.465 1.00 12.70 N ATOM 0 H LYS A 122 -5.561 9.234 -1.156 1.00 8.64 H new ATOM 0 HA LYS A 122 -4.264 9.852 0.523 1.00 9.14 H new ATOM 0 HB2 LYS A 122 -2.115 8.711 0.690 1.00 10.04 H new ATOM 0 HB3 LYS A 122 -3.329 7.649 0.006 1.00 10.04 H new ATOM 0 HG2 LYS A 122 -2.395 7.859 -2.208 1.00 10.62 H new ATOM 0 HG3 LYS A 122 -1.343 9.170 -1.712 1.00 10.62 H new ATOM 0 HD2 LYS A 122 -0.020 7.148 -1.856 1.00 11.49 H new ATOM 0 HD3 LYS A 122 -0.146 7.603 -0.169 1.00 11.49 H new ATOM 0 HE2 LYS A 122 -1.912 5.929 0.194 1.00 12.13 H new ATOM 0 HE3 LYS A 122 -1.923 5.527 -1.511 1.00 12.13 H new ATOM 0 HZ1 LYS A 122 -0.631 3.936 -0.244 1.00 12.70 H new ATOM 0 HZ2 LYS A 122 0.378 4.775 -1.322 1.00 12.70 H new ATOM 0 HZ3 LYS A 122 0.389 5.165 0.331 1.00 12.70 H new ATOM 1890 N GLU A 123 -3.543 12.060 -1.070 1.00 9.61 N ATOM 1891 CA GLU A 123 -2.883 13.317 -1.381 1.00 10.15 C ATOM 1892 C GLU A 123 -2.966 14.260 -0.185 1.00 10.16 C ATOM 1893 O GLU A 123 -3.872 14.141 0.634 1.00 9.77 O ATOM 1894 CB GLU A 123 -3.522 13.943 -2.620 1.00 10.72 C ATOM 1895 CG GLU A 123 -2.792 15.170 -3.131 1.00 11.36 C ATOM 1896 CD GLU A 123 -1.353 14.891 -3.489 1.00 12.15 C ATOM 1897 OE1 GLU A 123 -0.486 14.986 -2.593 1.00 12.53 O ATOM 1898 OE2 GLU A 123 -1.080 14.586 -4.668 1.00 12.54 O ATOM 0 H GLU A 123 -4.546 12.053 -1.255 1.00 9.61 H new ATOM 0 HA GLU A 123 -1.830 13.132 -1.594 1.00 10.15 H new ATOM 0 HB2 GLU A 123 -3.560 13.197 -3.414 1.00 10.72 H new ATOM 0 HB3 GLU A 123 -4.552 14.215 -2.388 1.00 10.72 H new ATOM 0 HG2 GLU A 123 -3.311 15.556 -4.008 1.00 11.36 H new ATOM 0 HG3 GLU A 123 -2.827 15.950 -2.371 1.00 11.36 H new ATOM 1905 N GLY A 124 -2.035 15.199 -0.102 1.00 10.81 N ATOM 1906 CA GLY A 124 -1.899 16.031 1.079 1.00 11.18 C ATOM 1907 C GLY A 124 -2.894 17.181 1.162 1.00 11.06 C ATOM 1908 O GLY A 124 -2.511 18.313 1.462 1.00 11.83 O ATOM 0 H GLY A 124 -1.362 15.402 -0.841 1.00 10.81 H new ATOM 0 HA2 GLY A 124 -2.013 15.405 1.964 1.00 11.18 H new ATOM 0 HA3 GLY A 124 -0.889 16.439 1.105 1.00 11.18 H new ATOM 1912 N HIS A 125 -4.164 16.896 0.911 1.00 10.27 N ATOM 1913 CA HIS A 125 -5.225 17.883 1.103 1.00 10.32 C ATOM 1914 C HIS A 125 -6.052 17.493 2.323 1.00 9.72 C ATOM 1915 O HIS A 125 -5.519 17.056 3.344 1.00 9.32 O ATOM 1916 CB HIS A 125 -6.183 17.948 -0.096 1.00 10.21 C ATOM 1917 CG HIS A 125 -5.567 17.982 -1.454 1.00 10.68 C ATOM 1918 ND1 HIS A 125 -5.641 16.889 -2.273 1.00 10.37 N ATOM 1919 CD2 HIS A 125 -5.011 19.011 -2.131 1.00 11.65 C ATOM 1920 CE1 HIS A 125 -5.150 17.272 -3.437 1.00 11.18 C ATOM 1921 NE2 HIS A 125 -4.750 18.555 -3.399 1.00 11.94 N ATOM 0 H HIS A 125 -4.488 15.990 0.574 1.00 10.27 H new ATOM 0 HA HIS A 125 -4.744 18.854 1.225 1.00 10.32 H new ATOM 0 HB2 HIS A 125 -6.847 17.085 -0.047 1.00 10.21 H new ATOM 0 HB3 HIS A 125 -6.806 18.836 0.016 1.00 10.21 H new ATOM 0 HD2 HIS A 125 -4.811 20.001 -1.748 1.00 11.65 H new ATOM 0 HE1 HIS A 125 -5.079 16.637 -4.307 1.00 11.18 H new ATOM 0 HE2 HIS A 125 -4.334 19.086 -4.164 1.00 11.94 H new ATOM 1929 N ILE A 126 -7.359 17.678 2.206 1.00 9.89 N ATOM 1930 CA ILE A 126 -8.313 17.143 3.156 1.00 9.58 C ATOM 1931 C ILE A 126 -9.406 16.409 2.385 1.00 9.30 C ATOM 1932 O ILE A 126 -9.961 16.937 1.416 1.00 9.89 O ATOM 1933 CB ILE A 126 -8.954 18.223 4.073 1.00 10.51 C ATOM 1934 CG1 ILE A 126 -9.589 19.374 3.270 1.00 11.44 C ATOM 1935 CG2 ILE A 126 -7.930 18.757 5.061 1.00 10.87 C ATOM 1936 CD1 ILE A 126 -8.601 20.381 2.702 1.00 12.22 C ATOM 0 H ILE A 126 -7.785 18.206 1.445 1.00 9.89 H new ATOM 0 HA ILE A 126 -7.769 16.469 3.817 1.00 9.58 H new ATOM 0 HB ILE A 126 -9.760 17.739 4.625 1.00 10.51 H new ATOM 0 HG12 ILE A 126 -10.165 18.949 2.448 1.00 11.44 H new ATOM 0 HG13 ILE A 126 -10.293 19.901 3.914 1.00 11.44 H new ATOM 0 HG21 ILE A 126 -8.395 19.512 5.695 1.00 10.87 H new ATOM 0 HG22 ILE A 126 -7.562 17.939 5.681 1.00 10.87 H new ATOM 0 HG23 ILE A 126 -7.098 19.203 4.517 1.00 10.87 H new ATOM 0 HD11 ILE A 126 -9.142 21.152 2.154 1.00 12.22 H new ATOM 0 HD12 ILE A 126 -8.041 20.840 3.516 1.00 12.22 H new ATOM 0 HD13 ILE A 126 -7.911 19.873 2.028 1.00 12.22 H new ATOM 1948 N ALA A 127 -9.689 15.183 2.806 1.00 8.62 N ATOM 1949 CA ALA A 127 -10.613 14.301 2.096 1.00 8.50 C ATOM 1950 C ALA A 127 -12.014 14.892 1.999 1.00 9.47 C ATOM 1951 O ALA A 127 -12.804 14.493 1.145 1.00 9.79 O ATOM 1952 CB ALA A 127 -10.661 12.940 2.776 1.00 7.91 C ATOM 0 H ALA A 127 -9.287 14.770 3.648 1.00 8.62 H new ATOM 0 HA ALA A 127 -10.240 14.187 1.078 1.00 8.50 H new ATOM 0 HB1 ALA A 127 -11.352 12.290 2.240 1.00 7.91 H new ATOM 0 HB2 ALA A 127 -9.666 12.495 2.771 1.00 7.91 H new ATOM 0 HB3 ALA A 127 -10.999 13.059 3.805 1.00 7.91 H new ATOM 1958 N LYS A 128 -12.320 15.847 2.866 1.00 10.12 N ATOM 1959 CA LYS A 128 -13.641 16.460 2.882 1.00 11.20 C ATOM 1960 C LYS A 128 -13.761 17.585 1.850 1.00 11.91 C ATOM 1961 O LYS A 128 -14.840 18.146 1.662 1.00 12.77 O ATOM 1962 CB LYS A 128 -13.977 16.985 4.281 1.00 11.83 C ATOM 1963 CG LYS A 128 -12.948 17.957 4.841 1.00 11.76 C ATOM 1964 CD LYS A 128 -13.400 18.543 6.173 1.00 12.45 C ATOM 1965 CE LYS A 128 -13.592 17.473 7.240 1.00 12.66 C ATOM 1966 NZ LYS A 128 -12.320 16.780 7.581 1.00 13.15 N ATOM 0 H LYS A 128 -11.674 16.213 3.565 1.00 10.12 H new ATOM 0 HA LYS A 128 -14.359 15.686 2.613 1.00 11.20 H new ATOM 0 HB2 LYS A 128 -14.948 17.479 4.249 1.00 11.83 H new ATOM 0 HB3 LYS A 128 -14.071 16.139 4.962 1.00 11.83 H new ATOM 0 HG2 LYS A 128 -11.995 17.444 4.973 1.00 11.76 H new ATOM 0 HG3 LYS A 128 -12.780 18.763 4.126 1.00 11.76 H new ATOM 0 HD2 LYS A 128 -12.663 19.268 6.517 1.00 12.45 H new ATOM 0 HD3 LYS A 128 -14.336 19.083 6.031 1.00 12.45 H new ATOM 0 HE2 LYS A 128 -14.006 17.930 8.139 1.00 12.66 H new ATOM 0 HE3 LYS A 128 -14.320 16.741 6.890 1.00 12.66 H new ATOM 0 HZ1 LYS A 128 -12.472 16.159 8.402 1.00 13.15 H new ATOM 0 HZ2 LYS A 128 -12.007 16.210 6.769 1.00 13.15 H new ATOM 0 HZ3 LYS A 128 -11.591 17.485 7.811 1.00 13.15 H new ATOM 1980 N ASN A 129 -12.663 17.917 1.179 1.00 11.70 N ATOM 1981 CA ASN A 129 -12.692 18.983 0.177 1.00 12.56 C ATOM 1982 C ASN A 129 -12.602 18.413 -1.233 1.00 12.29 C ATOM 1983 O ASN A 129 -13.065 19.028 -2.193 1.00 13.04 O ATOM 1984 CB ASN A 129 -11.544 19.971 0.410 1.00 13.04 C ATOM 1985 CG ASN A 129 -11.582 21.159 -0.540 1.00 13.96 C ATOM 1986 OD1 ASN A 129 -12.214 22.176 -0.253 1.00 14.48 O ATOM 1987 ND2 ASN A 129 -10.901 21.049 -1.668 1.00 14.33 N ATOM 0 H ASN A 129 -11.754 17.473 1.306 1.00 11.70 H new ATOM 0 HA ASN A 129 -13.642 19.508 0.279 1.00 12.56 H new ATOM 0 HB2 ASN A 129 -11.586 20.333 1.437 1.00 13.04 H new ATOM 0 HB3 ASN A 129 -10.594 19.450 0.294 1.00 13.04 H new ATOM 0 HD21 ASN A 129 -10.888 21.822 -2.333 1.00 14.33 H new ATOM 0 HD22 ASN A 129 -10.389 20.191 -1.873 1.00 14.33 H new ATOM 1994 N CYS A 130 -12.032 17.227 -1.353 1.00 11.34 N ATOM 1995 CA CYS A 130 -11.875 16.596 -2.652 1.00 11.22 C ATOM 1996 C CYS A 130 -13.072 15.716 -2.969 1.00 11.41 C ATOM 1997 O CYS A 130 -13.498 14.913 -2.139 1.00 10.94 O ATOM 1998 CB CYS A 130 -10.572 15.799 -2.698 1.00 10.26 C ATOM 1999 SG CYS A 130 -9.110 16.857 -2.695 1.00 10.18 S ATOM 0 H CYS A 130 -11.671 16.683 -0.570 1.00 11.34 H new ATOM 0 HA CYS A 130 -11.825 17.372 -3.415 1.00 11.22 H new ATOM 0 HB2 CYS A 130 -10.531 15.127 -1.841 1.00 10.26 H new ATOM 0 HB3 CYS A 130 -10.563 15.176 -3.592 1.00 10.26 H new ATOM 2004 N ARG A 131 -13.620 15.887 -4.166 1.00 12.28 N ATOM 2005 CA ARG A 131 -14.794 15.133 -4.574 1.00 12.72 C ATOM 2006 C ARG A 131 -14.409 13.720 -5.004 1.00 12.49 C ATOM 2007 O ARG A 131 -13.958 13.481 -6.126 1.00 12.99 O ATOM 2008 CB ARG A 131 -15.542 15.864 -5.695 1.00 13.93 C ATOM 2009 CG ARG A 131 -14.679 16.215 -6.899 1.00 14.54 C ATOM 2010 CD ARG A 131 -15.475 16.973 -7.944 1.00 15.39 C ATOM 2011 NE ARG A 131 -16.636 16.211 -8.409 1.00 15.94 N ATOM 2012 CZ ARG A 131 -17.860 16.720 -8.548 1.00 16.74 C ATOM 2013 NH1 ARG A 131 -18.098 17.990 -8.236 1.00 17.08 N ATOM 2014 NH2 ARG A 131 -18.846 15.956 -8.994 1.00 17.31 N ATOM 0 H ARG A 131 -13.270 16.539 -4.868 1.00 12.28 H new ATOM 0 HA ARG A 131 -15.463 15.051 -3.717 1.00 12.72 H new ATOM 0 HB2 ARG A 131 -16.373 15.242 -6.027 1.00 13.93 H new ATOM 0 HB3 ARG A 131 -15.972 16.781 -5.291 1.00 13.93 H new ATOM 0 HG2 ARG A 131 -13.830 16.818 -6.577 1.00 14.54 H new ATOM 0 HG3 ARG A 131 -14.274 15.303 -7.338 1.00 14.54 H new ATOM 0 HD2 ARG A 131 -15.808 17.923 -7.527 1.00 15.39 H new ATOM 0 HD3 ARG A 131 -14.831 17.206 -8.792 1.00 15.39 H new ATOM 0 HE ARG A 131 -16.499 15.227 -8.641 1.00 15.94 H new ATOM 0 HH11 ARG A 131 -17.342 18.580 -7.888 1.00 17.08 H new ATOM 0 HH12 ARG A 131 -19.037 18.375 -8.344 1.00 17.08 H new ATOM 0 HH21 ARG A 131 -18.668 14.980 -9.230 1.00 17.31 H new ATOM 0 HH22 ARG A 131 -19.783 16.344 -9.101 1.00 17.31 H new ATOM 2028 N ALA A 132 -14.588 12.794 -4.079 1.00 11.89 N ATOM 2029 CA ALA A 132 -14.298 11.390 -4.302 1.00 11.80 C ATOM 2030 C ALA A 132 -14.908 10.582 -3.166 1.00 11.49 C ATOM 2031 O ALA A 132 -15.047 11.103 -2.058 1.00 10.98 O ATOM 2032 CB ALA A 132 -12.794 11.168 -4.382 1.00 11.27 C ATOM 0 H ALA A 132 -14.942 12.998 -3.144 1.00 11.89 H new ATOM 0 HA ALA A 132 -14.730 11.065 -5.248 1.00 11.80 H new ATOM 0 HB1 ALA A 132 -12.591 10.110 -4.550 1.00 11.27 H new ATOM 0 HB2 ALA A 132 -12.383 11.751 -5.206 1.00 11.27 H new ATOM 0 HB3 ALA A 132 -12.329 11.483 -3.448 1.00 11.27 H new ATOM 2038 N PRO A 133 -15.288 9.319 -3.418 1.00 11.98 N ATOM 2039 CA PRO A 133 -15.906 8.455 -2.404 1.00 11.96 C ATOM 2040 C PRO A 133 -14.983 8.211 -1.210 1.00 11.21 C ATOM 2041 O PRO A 133 -14.253 7.221 -1.162 1.00 11.39 O ATOM 2042 CB PRO A 133 -16.182 7.146 -3.154 1.00 12.84 C ATOM 2043 CG PRO A 133 -15.293 7.182 -4.348 1.00 13.32 C ATOM 2044 CD PRO A 133 -15.146 8.630 -4.712 1.00 12.82 C ATOM 0 HA PRO A 133 -16.803 8.906 -1.981 1.00 11.96 H new ATOM 0 HB2 PRO A 133 -15.965 6.281 -2.528 1.00 12.84 H new ATOM 0 HB3 PRO A 133 -17.230 7.073 -3.446 1.00 12.84 H new ATOM 0 HG2 PRO A 133 -14.324 6.735 -4.126 1.00 13.32 H new ATOM 0 HG3 PRO A 133 -15.724 6.614 -5.173 1.00 13.32 H new ATOM 0 HD2 PRO A 133 -14.179 8.833 -5.172 1.00 12.82 H new ATOM 0 HD3 PRO A 133 -15.910 8.946 -5.422 1.00 12.82 H new ATOM 2052 N ARG A 134 -15.031 9.120 -0.247 1.00 10.58 N ATOM 2053 CA ARG A 134 -14.150 9.065 0.910 1.00 10.01 C ATOM 2054 C ARG A 134 -14.600 8.010 1.899 1.00 9.69 C ATOM 2055 O ARG A 134 -15.783 7.660 1.954 1.00 10.21 O ATOM 2056 CB ARG A 134 -14.045 10.443 1.573 1.00 10.03 C ATOM 2057 CG ARG A 134 -15.383 11.127 1.797 1.00 10.19 C ATOM 2058 CD ARG A 134 -15.199 12.568 2.242 1.00 10.81 C ATOM 2059 NE ARG A 134 -16.458 13.308 2.233 1.00 11.15 N ATOM 2060 CZ ARG A 134 -16.663 14.427 1.531 1.00 11.83 C ATOM 2061 NH1 ARG A 134 -15.695 14.933 0.773 1.00 12.25 N ATOM 2062 NH2 ARG A 134 -17.842 15.034 1.583 1.00 12.30 N ATOM 0 H ARG A 134 -15.676 9.910 -0.245 1.00 10.58 H new ATOM 0 HA ARG A 134 -13.157 8.779 0.564 1.00 10.01 H new ATOM 0 HB2 ARG A 134 -13.539 10.335 2.532 1.00 10.03 H new ATOM 0 HB3 ARG A 134 -13.420 11.086 0.953 1.00 10.03 H new ATOM 0 HG2 ARG A 134 -15.966 11.100 0.876 1.00 10.19 H new ATOM 0 HG3 ARG A 134 -15.951 10.581 2.550 1.00 10.19 H new ATOM 0 HD2 ARG A 134 -14.775 12.586 3.246 1.00 10.81 H new ATOM 0 HD3 ARG A 134 -14.483 13.062 1.585 1.00 10.81 H new ATOM 0 HE ARG A 134 -17.228 12.949 2.797 1.00 11.15 H new ATOM 0 HH11 ARG A 134 -14.789 14.467 0.724 1.00 12.25 H new ATOM 0 HH12 ARG A 134 -15.858 15.787 0.240 1.00 12.25 H new ATOM 0 HH21 ARG A 134 -18.590 14.647 2.158 1.00 12.30 H new ATOM 0 HH22 ARG A 134 -18.000 15.888 1.048 1.00 12.30 H new ATOM 2076 N LYS A 135 -13.635 7.522 2.678 1.00 9.06 N ATOM 2077 CA LYS A 135 -13.821 6.379 3.571 1.00 9.00 C ATOM 2078 C LYS A 135 -14.057 5.142 2.720 1.00 9.08 C ATOM 2079 O LYS A 135 -13.109 4.448 2.366 1.00 9.30 O ATOM 2080 CB LYS A 135 -14.977 6.576 4.578 1.00 8.75 C ATOM 2081 CG LYS A 135 -14.768 7.712 5.571 1.00 8.95 C ATOM 2082 CD LYS A 135 -15.097 9.057 4.952 1.00 9.28 C ATOM 2083 CE LYS A 135 -14.751 10.211 5.881 1.00 9.72 C ATOM 2084 NZ LYS A 135 -15.576 10.205 7.121 1.00 10.11 N ATOM 0 H LYS A 135 -12.693 7.913 2.707 1.00 9.06 H new ATOM 0 HA LYS A 135 -12.920 6.268 4.174 1.00 9.00 H new ATOM 0 HB2 LYS A 135 -15.897 6.761 4.023 1.00 8.75 H new ATOM 0 HB3 LYS A 135 -15.120 5.648 5.132 1.00 8.75 H new ATOM 0 HG2 LYS A 135 -15.395 7.550 6.448 1.00 8.95 H new ATOM 0 HG3 LYS A 135 -13.733 7.711 5.914 1.00 8.95 H new ATOM 0 HD2 LYS A 135 -14.550 9.169 4.016 1.00 9.28 H new ATOM 0 HD3 LYS A 135 -16.159 9.094 4.708 1.00 9.28 H new ATOM 0 HE2 LYS A 135 -13.696 10.155 6.149 1.00 9.72 H new ATOM 0 HE3 LYS A 135 -14.897 11.154 5.355 1.00 9.72 H new ATOM 0 HZ1 LYS A 135 -15.341 11.037 7.699 1.00 10.11 H new ATOM 0 HZ2 LYS A 135 -16.584 10.234 6.867 1.00 10.11 H new ATOM 0 HZ3 LYS A 135 -15.380 9.340 7.664 1.00 10.11 H new ATOM 2098 N LYS A 136 -15.316 4.909 2.369 1.00 9.17 N ATOM 2099 CA LYS A 136 -15.696 3.884 1.398 1.00 9.54 C ATOM 2100 C LYS A 136 -15.018 2.536 1.669 1.00 9.54 C ATOM 2101 O LYS A 136 -14.711 1.786 0.740 1.00 9.99 O ATOM 2102 CB LYS A 136 -15.338 4.365 -0.010 1.00 10.03 C ATOM 2103 CG LYS A 136 -16.345 3.963 -1.069 1.00 10.42 C ATOM 2104 CD LYS A 136 -17.667 4.682 -0.866 1.00 10.60 C ATOM 2105 CE LYS A 136 -18.669 4.327 -1.954 1.00 11.32 C ATOM 2106 NZ LYS A 136 -18.949 2.865 -1.999 1.00 11.69 N ATOM 0 H LYS A 136 -16.108 5.427 2.750 1.00 9.17 H new ATOM 0 HA LYS A 136 -16.771 3.728 1.489 1.00 9.54 H new ATOM 0 HB2 LYS A 136 -15.249 5.451 -0.001 1.00 10.03 H new ATOM 0 HB3 LYS A 136 -14.360 3.967 -0.282 1.00 10.03 H new ATOM 0 HG2 LYS A 136 -15.950 4.194 -2.058 1.00 10.42 H new ATOM 0 HG3 LYS A 136 -16.504 2.885 -1.034 1.00 10.42 H new ATOM 0 HD2 LYS A 136 -18.079 4.420 0.109 1.00 10.60 H new ATOM 0 HD3 LYS A 136 -17.499 5.759 -0.862 1.00 10.60 H new ATOM 0 HE2 LYS A 136 -19.599 4.869 -1.781 1.00 11.32 H new ATOM 0 HE3 LYS A 136 -18.285 4.653 -2.921 1.00 11.32 H new ATOM 0 HZ1 LYS A 136 -19.765 2.687 -2.619 1.00 11.69 H new ATOM 0 HZ2 LYS A 136 -18.117 2.363 -2.370 1.00 11.69 H new ATOM 0 HZ3 LYS A 136 -19.161 2.522 -1.040 1.00 11.69 H new ATOM 2120 N GLY A 137 -14.798 2.225 2.930 1.00 9.28 N ATOM 2121 CA GLY A 137 -14.134 0.988 3.270 1.00 9.53 C ATOM 2122 C GLY A 137 -12.627 1.143 3.365 1.00 9.53 C ATOM 2123 O GLY A 137 -12.121 1.952 4.147 1.00 9.44 O ATOM 0 H GLY A 137 -15.066 2.804 3.726 1.00 9.28 H new ATOM 0 HA2 GLY A 137 -14.519 0.623 4.222 1.00 9.53 H new ATOM 0 HA3 GLY A 137 -14.372 0.234 2.520 1.00 9.53 H new ATOM 2127 N CYS A 138 -11.904 0.368 2.570 1.00 9.89 N ATOM 2128 CA CYS A 138 -10.454 0.346 2.644 1.00 10.22 C ATOM 2129 C CYS A 138 -9.811 0.934 1.399 1.00 9.92 C ATOM 2130 O CYS A 138 -9.823 0.318 0.333 1.00 9.94 O ATOM 2131 CB CYS A 138 -9.952 -1.086 2.819 1.00 11.12 C ATOM 2132 SG CYS A 138 -10.372 -1.850 4.395 1.00 12.01 S ATOM 0 H CYS A 138 -12.300 -0.254 1.866 1.00 9.89 H new ATOM 0 HA CYS A 138 -10.173 0.955 3.503 1.00 10.22 H new ATOM 0 HB2 CYS A 138 -10.359 -1.699 2.015 1.00 11.12 H new ATOM 0 HB3 CYS A 138 -8.868 -1.092 2.707 1.00 11.12 H new ATOM 2137 N TRP A 139 -9.230 2.115 1.535 1.00 9.89 N ATOM 2138 CA TRP A 139 -8.401 2.668 0.471 1.00 9.90 C ATOM 2139 C TRP A 139 -6.991 2.086 0.532 1.00 10.86 C ATOM 2140 O TRP A 139 -6.208 2.220 -0.409 1.00 11.32 O ATOM 2141 CB TRP A 139 -8.356 4.194 0.548 1.00 9.65 C ATOM 2142 CG TRP A 139 -9.596 4.835 0.010 1.00 9.03 C ATOM 2143 CD1 TRP A 139 -10.725 5.147 0.703 1.00 8.51 C ATOM 2144 CD2 TRP A 139 -9.831 5.229 -1.345 1.00 9.20 C ATOM 2145 NE1 TRP A 139 -11.652 5.709 -0.139 1.00 8.35 N ATOM 2146 CE2 TRP A 139 -11.125 5.775 -1.399 1.00 8.78 C ATOM 2147 CE3 TRP A 139 -9.070 5.179 -2.516 1.00 9.91 C ATOM 2148 CZ2 TRP A 139 -11.678 6.260 -2.580 1.00 9.11 C ATOM 2149 CZ3 TRP A 139 -9.620 5.662 -3.686 1.00 10.19 C ATOM 2150 CH2 TRP A 139 -10.912 6.200 -3.710 1.00 9.81 C ATOM 0 H TRP A 139 -9.314 2.706 2.362 1.00 9.89 H new ATOM 0 HA TRP A 139 -8.848 2.391 -0.484 1.00 9.90 H new ATOM 0 HB2 TRP A 139 -8.216 4.498 1.585 1.00 9.65 H new ATOM 0 HB3 TRP A 139 -7.493 4.557 -0.010 1.00 9.65 H new ATOM 0 HD1 TRP A 139 -10.870 4.977 1.760 1.00 8.51 H new ATOM 0 HE1 TRP A 139 -12.583 6.026 0.131 1.00 8.35 H new ATOM 0 HE3 TRP A 139 -8.070 4.770 -2.506 1.00 9.91 H new ATOM 0 HZ2 TRP A 139 -12.677 6.669 -2.603 1.00 9.11 H new ATOM 0 HZ3 TRP A 139 -9.044 5.624 -4.599 1.00 10.19 H new ATOM 0 HH2 TRP A 139 -11.312 6.575 -4.641 1.00 9.81 H new ATOM 2161 N LYS A 140 -6.676 1.435 1.645 1.00 11.35 N ATOM 2162 CA LYS A 140 -5.378 0.801 1.822 1.00 12.41 C ATOM 2163 C LYS A 140 -5.438 -0.680 1.452 1.00 12.91 C ATOM 2164 O LYS A 140 -4.671 -1.152 0.611 1.00 13.52 O ATOM 2165 CB LYS A 140 -4.933 0.963 3.270 1.00 13.04 C ATOM 2166 CG LYS A 140 -3.500 0.539 3.529 1.00 14.05 C ATOM 2167 CD LYS A 140 -3.137 0.747 4.986 1.00 14.34 C ATOM 2168 CE LYS A 140 -1.703 0.332 5.279 1.00 15.50 C ATOM 2169 NZ LYS A 140 -1.489 -1.123 5.063 1.00 16.11 N ATOM 0 H LYS A 140 -7.306 1.333 2.441 1.00 11.35 H new ATOM 0 HA LYS A 140 -4.658 1.283 1.161 1.00 12.41 H new ATOM 0 HB2 LYS A 140 -5.050 2.007 3.560 1.00 13.04 H new ATOM 0 HB3 LYS A 140 -5.595 0.379 3.910 1.00 13.04 H new ATOM 0 HG2 LYS A 140 -3.372 -0.510 3.263 1.00 14.05 H new ATOM 0 HG3 LYS A 140 -2.825 1.113 2.895 1.00 14.05 H new ATOM 0 HD2 LYS A 140 -3.272 1.797 5.247 1.00 14.34 H new ATOM 0 HD3 LYS A 140 -3.817 0.172 5.615 1.00 14.34 H new ATOM 0 HE2 LYS A 140 -1.024 0.897 4.640 1.00 15.50 H new ATOM 0 HE3 LYS A 140 -1.456 0.586 6.310 1.00 15.50 H new ATOM 0 HZ1 LYS A 140 -0.578 -1.405 5.477 1.00 16.11 H new ATOM 0 HZ2 LYS A 140 -2.256 -1.658 5.517 1.00 16.11 H new ATOM 0 HZ3 LYS A 140 -1.483 -1.325 4.043 1.00 16.11 H new ATOM 2183 N CYS A 141 -6.358 -1.413 2.080 1.00 12.82 N ATOM 2184 CA CYS A 141 -6.543 -2.831 1.771 1.00 13.44 C ATOM 2185 C CYS A 141 -7.140 -3.006 0.378 1.00 13.01 C ATOM 2186 O CYS A 141 -7.071 -4.084 -0.204 1.00 13.56 O ATOM 2187 CB CYS A 141 -7.463 -3.507 2.795 1.00 13.82 C ATOM 2188 SG CYS A 141 -6.935 -3.343 4.515 1.00 13.97 S ATOM 0 H CYS A 141 -6.983 -1.051 2.801 1.00 12.82 H new ATOM 0 HA CYS A 141 -5.560 -3.301 1.810 1.00 13.44 H new ATOM 0 HB2 CYS A 141 -8.464 -3.087 2.696 1.00 13.82 H new ATOM 0 HB3 CYS A 141 -7.536 -4.567 2.552 1.00 13.82 H new ATOM 2193 N GLY A 142 -7.730 -1.935 -0.144 1.00 12.16 N ATOM 2194 CA GLY A 142 -8.356 -1.991 -1.457 1.00 11.86 C ATOM 2195 C GLY A 142 -9.684 -2.724 -1.441 1.00 11.95 C ATOM 2196 O GLY A 142 -10.297 -2.937 -2.485 1.00 12.26 O ATOM 0 H GLY A 142 -7.787 -1.027 0.318 1.00 12.16 H new ATOM 0 HA2 GLY A 142 -8.510 -0.977 -1.825 1.00 11.86 H new ATOM 0 HA3 GLY A 142 -7.681 -2.485 -2.156 1.00 11.86 H new ATOM 2200 N LYS A 143 -10.127 -3.106 -0.252 1.00 11.90 N ATOM 2201 CA LYS A 143 -11.371 -3.843 -0.089 1.00 12.23 C ATOM 2202 C LYS A 143 -12.435 -2.966 0.552 1.00 11.90 C ATOM 2203 O LYS A 143 -12.226 -1.775 0.774 1.00 11.44 O ATOM 2204 CB LYS A 143 -11.140 -5.090 0.771 1.00 13.11 C ATOM 2205 CG LYS A 143 -10.270 -6.141 0.105 1.00 13.82 C ATOM 2206 CD LYS A 143 -10.972 -6.792 -1.078 1.00 14.46 C ATOM 2207 CE LYS A 143 -10.066 -7.785 -1.793 1.00 15.30 C ATOM 2208 NZ LYS A 143 -9.644 -8.904 -0.908 1.00 15.88 N ATOM 0 H LYS A 143 -9.637 -2.915 0.622 1.00 11.90 H new ATOM 0 HA LYS A 143 -11.718 -4.148 -1.076 1.00 12.23 H new ATOM 0 HB2 LYS A 143 -10.677 -4.791 1.711 1.00 13.11 H new ATOM 0 HB3 LYS A 143 -12.105 -5.533 1.018 1.00 13.11 H new ATOM 0 HG2 LYS A 143 -9.340 -5.682 -0.232 1.00 13.82 H new ATOM 0 HG3 LYS A 143 -10.002 -6.906 0.834 1.00 13.82 H new ATOM 0 HD2 LYS A 143 -11.871 -7.303 -0.732 1.00 14.46 H new ATOM 0 HD3 LYS A 143 -11.293 -6.022 -1.779 1.00 14.46 H new ATOM 0 HE2 LYS A 143 -10.587 -8.188 -2.661 1.00 15.30 H new ATOM 0 HE3 LYS A 143 -9.183 -7.265 -2.164 1.00 15.30 H new ATOM 0 HZ1 LYS A 143 -9.158 -9.629 -1.473 1.00 15.88 H new ATOM 0 HZ2 LYS A 143 -8.997 -8.544 -0.177 1.00 15.88 H new ATOM 0 HZ3 LYS A 143 -10.481 -9.322 -0.454 1.00 15.88 H new ATOM 2222 N GLU A 144 -13.567 -3.573 0.857 1.00 12.31 N ATOM 2223 CA GLU A 144 -14.705 -2.858 1.419 1.00 12.29 C ATOM 2224 C GLU A 144 -14.924 -3.269 2.874 1.00 12.31 C ATOM 2225 O GLU A 144 -16.050 -3.240 3.374 1.00 12.33 O ATOM 2226 CB GLU A 144 -15.966 -3.172 0.606 1.00 13.02 C ATOM 2227 CG GLU A 144 -15.809 -2.967 -0.894 1.00 13.41 C ATOM 2228 CD GLU A 144 -15.743 -1.509 -1.290 1.00 13.89 C ATOM 2229 OE1 GLU A 144 -16.814 -0.880 -1.418 1.00 14.11 O ATOM 2230 OE2 GLU A 144 -14.631 -0.986 -1.487 1.00 14.20 O ATOM 0 H GLU A 144 -13.726 -4.572 0.724 1.00 12.31 H new ATOM 0 HA GLU A 144 -14.500 -1.788 1.379 1.00 12.29 H new ATOM 0 HB2 GLU A 144 -16.256 -4.206 0.792 1.00 13.02 H new ATOM 0 HB3 GLU A 144 -16.781 -2.543 0.964 1.00 13.02 H new ATOM 0 HG2 GLU A 144 -14.902 -3.470 -1.230 1.00 13.41 H new ATOM 0 HG3 GLU A 144 -16.646 -3.440 -1.409 1.00 13.41 H new ATOM 2237 N GLY A 145 -13.841 -3.646 3.546 1.00 12.50 N ATOM 2238 CA GLY A 145 -13.951 -4.215 4.879 1.00 12.76 C ATOM 2239 C GLY A 145 -13.920 -3.178 5.986 1.00 12.89 C ATOM 2240 O GLY A 145 -14.965 -2.791 6.509 1.00 13.35 O ATOM 0 H GLY A 145 -12.888 -3.568 3.192 1.00 12.50 H new ATOM 0 HA2 GLY A 145 -14.880 -4.780 4.948 1.00 12.76 H new ATOM 0 HA3 GLY A 145 -13.136 -4.922 5.032 1.00 12.76 H new ATOM 2244 N HIS A 146 -12.720 -2.740 6.352 1.00 12.67 N ATOM 2245 CA HIS A 146 -12.545 -1.786 7.448 1.00 12.99 C ATOM 2246 C HIS A 146 -13.219 -0.465 7.105 1.00 12.58 C ATOM 2247 O HIS A 146 -13.185 -0.036 5.961 1.00 11.92 O ATOM 2248 CB HIS A 146 -11.055 -1.532 7.711 1.00 13.11 C ATOM 2249 CG HIS A 146 -10.228 -2.772 7.896 1.00 13.73 C ATOM 2250 ND1 HIS A 146 -8.936 -2.849 7.426 1.00 13.78 N ATOM 2251 CD2 HIS A 146 -10.548 -3.941 8.500 1.00 14.46 C ATOM 2252 CE1 HIS A 146 -8.504 -4.052 7.751 1.00 14.54 C ATOM 2253 NE2 HIS A 146 -9.448 -4.751 8.405 1.00 14.96 N ATOM 0 H HIS A 146 -11.850 -3.030 5.906 1.00 12.67 H new ATOM 0 HA HIS A 146 -13.000 -2.211 8.342 1.00 12.99 H new ATOM 0 HB2 HIS A 146 -10.646 -0.960 6.878 1.00 13.11 H new ATOM 0 HB3 HIS A 146 -10.958 -0.911 8.602 1.00 13.11 H new ATOM 0 HD2 HIS A 146 -11.490 -4.187 8.967 1.00 14.46 H new ATOM 0 HE1 HIS A 146 -7.518 -4.428 7.521 1.00 14.54 H new ATOM 0 HE2 HIS A 146 -9.361 -5.703 8.762 1.00 14.96 H new ATOM 2261 N GLN A 147 -13.813 0.190 8.093 1.00 13.15 N ATOM 2262 CA GLN A 147 -14.511 1.453 7.853 1.00 13.06 C ATOM 2263 C GLN A 147 -13.546 2.637 7.923 1.00 12.82 C ATOM 2264 O GLN A 147 -13.821 3.642 8.583 1.00 13.08 O ATOM 2265 CB GLN A 147 -15.645 1.634 8.862 1.00 14.01 C ATOM 2266 CG GLN A 147 -16.604 0.460 8.910 1.00 14.38 C ATOM 2267 CD GLN A 147 -17.284 0.189 7.580 1.00 14.79 C ATOM 2268 OE1 GLN A 147 -17.499 1.098 6.776 1.00 14.85 O ATOM 2269 NE2 GLN A 147 -17.631 -1.063 7.342 1.00 15.24 N ATOM 0 H GLN A 147 -13.828 -0.126 9.063 1.00 13.15 H new ATOM 0 HA GLN A 147 -14.934 1.419 6.849 1.00 13.06 H new ATOM 0 HB2 GLN A 147 -15.218 1.785 9.853 1.00 14.01 H new ATOM 0 HB3 GLN A 147 -16.201 2.538 8.613 1.00 14.01 H new ATOM 0 HG2 GLN A 147 -16.061 -0.432 9.221 1.00 14.38 H new ATOM 0 HG3 GLN A 147 -17.364 0.651 9.667 1.00 14.38 H new ATOM 0 HE21 GLN A 147 -17.435 -1.787 8.034 1.00 15.24 H new ATOM 0 HE22 GLN A 147 -18.095 -1.306 6.467 1.00 15.24 H new ATOM 2278 N MET A 148 -12.423 2.491 7.226 1.00 12.52 N ATOM 2279 CA MET A 148 -11.350 3.499 7.170 1.00 12.47 C ATOM 2280 C MET A 148 -10.625 3.663 8.512 1.00 13.37 C ATOM 2281 O MET A 148 -9.403 3.533 8.572 1.00 13.85 O ATOM 2282 CB MET A 148 -11.872 4.854 6.673 1.00 11.69 C ATOM 2283 CG MET A 148 -10.832 5.965 6.739 1.00 11.72 C ATOM 2284 SD MET A 148 -11.448 7.543 6.122 1.00 11.68 S ATOM 2285 CE MET A 148 -10.083 8.625 6.536 1.00 11.96 C ATOM 0 H MET A 148 -12.222 1.658 6.673 1.00 12.52 H new ATOM 0 HA MET A 148 -10.622 3.125 6.450 1.00 12.47 H new ATOM 0 HB2 MET A 148 -12.214 4.748 5.644 1.00 11.69 H new ATOM 0 HB3 MET A 148 -12.738 5.142 7.269 1.00 11.69 H new ATOM 0 HG2 MET A 148 -10.504 6.088 7.771 1.00 11.72 H new ATOM 0 HG3 MET A 148 -9.957 5.671 6.159 1.00 11.72 H new ATOM 0 HE1 MET A 148 -10.075 9.477 5.856 1.00 11.96 H new ATOM 0 HE2 MET A 148 -10.197 8.979 7.560 1.00 11.96 H new ATOM 0 HE3 MET A 148 -9.144 8.078 6.444 1.00 11.96 H new ATOM 2295 N LYS A 149 -11.362 3.942 9.582 1.00 13.75 N ATOM 2296 CA LYS A 149 -10.764 4.087 10.901 1.00 14.74 C ATOM 2297 C LYS A 149 -10.267 2.744 11.416 1.00 15.59 C ATOM 2298 O LYS A 149 -9.208 2.653 12.037 1.00 16.38 O ATOM 2299 CB LYS A 149 -11.791 4.665 11.864 1.00 15.07 C ATOM 2300 CG LYS A 149 -12.283 6.040 11.468 1.00 14.89 C ATOM 2301 CD LYS A 149 -13.556 6.382 12.208 1.00 14.96 C ATOM 2302 CE LYS A 149 -13.857 7.869 12.161 1.00 15.59 C ATOM 2303 NZ LYS A 149 -14.103 8.341 10.774 1.00 15.96 N ATOM 0 H LYS A 149 -12.373 4.072 9.560 1.00 13.75 H new ATOM 0 HA LYS A 149 -9.912 4.763 10.828 1.00 14.74 H new ATOM 0 HB2 LYS A 149 -12.642 3.987 11.925 1.00 15.07 H new ATOM 0 HB3 LYS A 149 -11.353 4.718 12.861 1.00 15.07 H new ATOM 0 HG2 LYS A 149 -11.517 6.784 11.688 1.00 14.89 H new ATOM 0 HG3 LYS A 149 -12.460 6.073 10.393 1.00 14.89 H new ATOM 0 HD2 LYS A 149 -14.388 5.829 11.773 1.00 14.96 H new ATOM 0 HD3 LYS A 149 -13.469 6.062 13.246 1.00 14.96 H new ATOM 0 HE2 LYS A 149 -14.730 8.082 12.777 1.00 15.59 H new ATOM 0 HE3 LYS A 149 -13.022 8.422 12.590 1.00 15.59 H new ATOM 0 HZ1 LYS A 149 -14.321 9.358 10.787 1.00 15.96 H new ATOM 0 HZ2 LYS A 149 -13.254 8.176 10.196 1.00 15.96 H new ATOM 0 HZ3 LYS A 149 -14.906 7.820 10.367 1.00 15.96 H new ATOM 2317 N ASP A 150 -11.038 1.702 11.142 1.00 15.52 N ATOM 2318 CA ASP A 150 -10.672 0.345 11.536 1.00 16.41 C ATOM 2319 C ASP A 150 -9.551 -0.185 10.646 1.00 16.34 C ATOM 2320 O ASP A 150 -8.946 -1.218 10.930 1.00 17.13 O ATOM 2321 CB ASP A 150 -11.902 -0.568 11.459 1.00 16.67 C ATOM 2322 CG ASP A 150 -11.621 -1.987 11.907 1.00 17.24 C ATOM 2323 OD1 ASP A 150 -12.110 -2.927 11.250 1.00 17.41 O ATOM 2324 OD2 ASP A 150 -10.913 -2.172 12.920 1.00 17.63 O ATOM 0 H ASP A 150 -11.927 1.769 10.646 1.00 15.52 H new ATOM 0 HA ASP A 150 -10.310 0.360 12.564 1.00 16.41 H new ATOM 0 HB2 ASP A 150 -12.696 -0.149 12.077 1.00 16.67 H new ATOM 0 HB3 ASP A 150 -12.271 -0.584 10.433 1.00 16.67 H new ATOM 2329 N CYS A 151 -9.269 0.543 9.574 1.00 15.51 N ATOM 2330 CA CYS A 151 -8.198 0.181 8.664 1.00 15.54 C ATOM 2331 C CYS A 151 -6.864 0.589 9.280 1.00 15.97 C ATOM 2332 O CYS A 151 -6.335 1.667 9.002 1.00 15.64 O ATOM 2333 CB CYS A 151 -8.407 0.871 7.312 1.00 14.63 C ATOM 2334 SG CYS A 151 -7.578 0.066 5.928 1.00 14.46 S ATOM 0 H CYS A 151 -9.772 1.392 9.315 1.00 15.51 H new ATOM 0 HA CYS A 151 -8.198 -0.896 8.498 1.00 15.54 H new ATOM 0 HB2 CYS A 151 -9.476 0.917 7.103 1.00 14.63 H new ATOM 0 HB3 CYS A 151 -8.052 1.899 7.384 1.00 14.63 H new ATOM 2339 N THR A 152 -6.347 -0.263 10.146 1.00 16.85 N ATOM 2340 CA THR A 152 -5.132 0.022 10.878 1.00 17.48 C ATOM 2341 C THR A 152 -3.964 -0.807 10.360 1.00 17.79 C ATOM 2342 O THR A 152 -4.149 -1.899 9.819 1.00 18.21 O ATOM 2343 CB THR A 152 -5.335 -0.247 12.378 1.00 18.43 C ATOM 2344 OG1 THR A 152 -6.161 -1.410 12.554 1.00 18.64 O ATOM 2345 CG2 THR A 152 -5.980 0.949 13.061 1.00 18.95 C ATOM 0 H THR A 152 -6.759 -1.171 10.360 1.00 16.85 H new ATOM 0 HA THR A 152 -4.896 1.076 10.729 1.00 17.48 H new ATOM 0 HB THR A 152 -4.359 -0.418 12.833 1.00 18.43 H new ATOM 0 HG1 THR A 152 -5.603 -2.215 12.527 1.00 18.64 H new ATOM 0 HG21 THR A 152 -6.113 0.734 14.121 1.00 18.95 H new ATOM 0 HG22 THR A 152 -5.339 1.823 12.945 1.00 18.95 H new ATOM 0 HG23 THR A 152 -6.950 1.148 12.606 1.00 18.95 H new ATOM 2353 N GLU A 153 -2.766 -0.275 10.516 1.00 17.71 N ATOM 2354 CA GLU A 153 -1.555 -0.965 10.106 1.00 18.13 C ATOM 2355 C GLU A 153 -0.742 -1.352 11.334 1.00 19.12 C ATOM 2356 O GLU A 153 -0.411 -0.496 12.156 1.00 19.35 O ATOM 2357 CB GLU A 153 -0.722 -0.076 9.176 1.00 17.70 C ATOM 2358 CG GLU A 153 0.587 -0.709 8.729 1.00 17.60 C ATOM 2359 CD GLU A 153 0.386 -2.005 7.969 1.00 17.59 C ATOM 2360 OE1 GLU A 153 0.241 -3.065 8.612 1.00 17.64 O ATOM 2361 OE2 GLU A 153 0.387 -1.973 6.720 1.00 17.65 O ATOM 0 H GLU A 153 -2.604 0.644 10.929 1.00 17.71 H new ATOM 0 HA GLU A 153 -1.830 -1.869 9.562 1.00 18.13 H new ATOM 0 HB2 GLU A 153 -1.316 0.169 8.295 1.00 17.70 H new ATOM 0 HB3 GLU A 153 -0.505 0.863 9.685 1.00 17.70 H new ATOM 0 HG2 GLU A 153 1.129 -0.004 8.098 1.00 17.60 H new ATOM 0 HG3 GLU A 153 1.210 -0.899 9.603 1.00 17.60 H new ATOM 2368 N ARG A 154 -0.432 -2.644 11.443 1.00 19.80 N ATOM 2369 CA ARG A 154 0.298 -3.199 12.583 1.00 20.84 C ATOM 2370 C ARG A 154 -0.525 -3.141 13.870 1.00 21.28 C ATOM 2371 O ARG A 154 -1.374 -2.260 14.048 1.00 21.68 O ATOM 2372 CB ARG A 154 1.643 -2.490 12.792 1.00 21.38 C ATOM 2373 CG ARG A 154 2.647 -2.726 11.674 1.00 21.89 C ATOM 2374 CD ARG A 154 4.012 -2.158 12.031 1.00 22.33 C ATOM 2375 NE ARG A 154 4.537 -2.752 13.260 1.00 22.67 N ATOM 2376 CZ ARG A 154 5.567 -2.266 13.953 1.00 23.08 C ATOM 2377 NH1 ARG A 154 6.221 -1.194 13.519 1.00 23.21 N ATOM 2378 NH2 ARG A 154 5.948 -2.856 15.078 1.00 23.48 N ATOM 0 H ARG A 154 -0.682 -3.339 10.739 1.00 19.80 H new ATOM 0 HA ARG A 154 0.490 -4.246 12.346 1.00 20.84 H new ATOM 0 HB2 ARG A 154 1.466 -1.419 12.888 1.00 21.38 H new ATOM 0 HB3 ARG A 154 2.077 -2.827 13.733 1.00 21.38 H new ATOM 0 HG2 ARG A 154 2.735 -3.795 11.480 1.00 21.89 H new ATOM 0 HG3 ARG A 154 2.287 -2.264 10.755 1.00 21.89 H new ATOM 0 HD2 ARG A 154 4.708 -2.340 11.212 1.00 22.33 H new ATOM 0 HD3 ARG A 154 3.937 -1.077 12.152 1.00 22.33 H new ATOM 0 HE ARG A 154 4.084 -3.596 13.611 1.00 22.67 H new ATOM 0 HH11 ARG A 154 5.936 -0.739 12.652 1.00 23.21 H new ATOM 0 HH12 ARG A 154 7.008 -0.826 14.053 1.00 23.21 H new ATOM 0 HH21 ARG A 154 5.453 -3.682 15.414 1.00 23.48 H new ATOM 0 HH22 ARG A 154 6.736 -2.484 15.608 1.00 23.48 H new ATOM 2392 N GLN A 155 -0.272 -4.110 14.754 1.00 21.32 N ATOM 2393 CA GLN A 155 -0.900 -4.185 16.075 1.00 21.85 C ATOM 2394 C GLN A 155 -2.371 -4.593 15.980 1.00 22.14 C ATOM 2395 O GLN A 155 -2.759 -5.668 16.442 1.00 22.34 O ATOM 2396 CB GLN A 155 -0.757 -2.854 16.826 1.00 21.93 C ATOM 2397 CG GLN A 155 -1.389 -2.857 18.209 1.00 22.12 C ATOM 2398 CD GLN A 155 -1.212 -1.539 18.930 1.00 22.30 C ATOM 2399 OE1 GLN A 155 -0.232 -1.339 19.647 1.00 22.37 O ATOM 2400 NE2 GLN A 155 -2.155 -0.632 18.748 1.00 22.51 N ATOM 0 H GLN A 155 0.381 -4.872 14.570 1.00 21.32 H new ATOM 0 HA GLN A 155 -0.378 -4.958 16.639 1.00 21.85 H new ATOM 0 HB2 GLN A 155 0.302 -2.614 16.921 1.00 21.93 H new ATOM 0 HB3 GLN A 155 -1.211 -2.062 16.231 1.00 21.93 H new ATOM 0 HG2 GLN A 155 -2.453 -3.078 18.118 1.00 22.12 H new ATOM 0 HG3 GLN A 155 -0.947 -3.656 18.805 1.00 22.12 H new ATOM 0 HE21 GLN A 155 -2.951 -0.838 18.145 1.00 22.51 H new ATOM 0 HE22 GLN A 155 -2.087 0.275 19.210 1.00 22.51 H new ATOM 2409 N ALA A 156 -3.179 -3.745 15.369 1.00 22.27 N ATOM 2410 CA ALA A 156 -4.607 -3.985 15.268 1.00 22.67 C ATOM 2411 C ALA A 156 -4.948 -4.697 13.969 1.00 23.02 C ATOM 2412 O ALA A 156 -5.042 -4.069 12.910 1.00 23.30 O ATOM 2413 CB ALA A 156 -5.365 -2.675 15.372 1.00 22.74 C ATOM 0 H ALA A 156 -2.867 -2.878 14.932 1.00 22.27 H new ATOM 0 HA ALA A 156 -4.906 -4.631 16.094 1.00 22.67 H new ATOM 0 HB1 ALA A 156 -6.435 -2.867 15.295 1.00 22.74 H new ATOM 0 HB2 ALA A 156 -5.149 -2.205 16.331 1.00 22.74 H new ATOM 0 HB3 ALA A 156 -5.056 -2.011 14.565 1.00 22.74 H new ATOM 2419 N ASN A 157 -5.127 -6.006 14.052 1.00 23.11 N ATOM 2420 CA ASN A 157 -5.461 -6.806 12.884 1.00 23.57 C ATOM 2421 C ASN A 157 -6.645 -7.714 13.190 1.00 23.76 C ATOM 2422 O ASN A 157 -7.794 -7.277 12.993 1.00 23.91 O ATOM 2423 CB ASN A 157 -4.259 -7.646 12.448 1.00 23.80 C ATOM 2424 CG ASN A 157 -4.426 -8.208 11.051 1.00 23.98 C ATOM 2425 OD1 ASN A 157 -4.025 -7.584 10.071 1.00 23.92 O ATOM 2426 ND2 ASN A 157 -5.015 -9.385 10.946 1.00 24.30 N ATOM 2427 OXT ASN A 157 -6.426 -8.854 13.647 1.00 23.85 O ATOM 0 H ASN A 157 -5.046 -6.538 14.918 1.00 23.11 H new ATOM 0 HA ASN A 157 -5.730 -6.132 12.070 1.00 23.57 H new ATOM 0 HB2 ASN A 157 -3.358 -7.034 12.485 1.00 23.80 H new ATOM 0 HB3 ASN A 157 -4.117 -8.466 13.152 1.00 23.80 H new ATOM 0 HD21 ASN A 157 -5.151 -9.807 10.027 1.00 24.30 H new ATOM 0 HD22 ASN A 157 -5.334 -9.872 11.783 1.00 24.30 H new TER 2434 ASN A 157 HETATM 2435 ZN ZN A 201 -7.220 15.668 -2.154 1.00 9.38 ZN HETATM 2436 ZN ZN A 202 -8.457 -2.044 5.654 1.00 13.43 ZN