USER MOD reduce.3.24.130724 H: found=0, std=0, add=1221, rem=0, adj=43 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 140 LYS NZ :NH3+ 160:sc= 1.04 (180deg=0) USER MOD Set 1.2: A 155 GLN : amide:sc=-0.000502 K(o=1,f=-4.3!) USER MOD Set 2.1: A 94 GLN : amide:sc= -0.0172 X(o=2.6,f=2.6) USER MOD Set 2.2: A 97 ASN : amide:sc= 0.775 X(o=2.6,f=2.6) USER MOD Set 2.3: A 100 THR OG1 : rot 148:sc= 1.83 USER MOD Set 3.1: A 36 GLN : amide:sc= 0 K(o=-2.6,f=-3.2) USER MOD Set 3.2: A 40 ASN : amide:sc= -2.61! C(o=-2.6!,f=-2.6!) USER MOD Set 4.1: A 12 GLN : amide:sc= 0.102 K(o=-5.2,f=-13!) USER MOD Set 4.2: A 52 ASN : amide:sc= -1.28 K(o=-5.2,f=-8.5!) USER MOD Set 4.3: A 55 CYS SG : rot -169:sc= -1.86! USER MOD Set 4.4: A 75 CYS SG : rot 70:sc= -2.2! USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0398 (180deg=-0.375) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.29 (180deg=0.888) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 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+ -169:sc=-0.00333 (180deg=-0.122) USER MOD Single : A 21 TYR OH : rot 29:sc= 0.394 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= 1.09 (180deg=0.00352!) USER MOD Single : A 28 THR OG1 : rot -83:sc= 0.997 USER MOD Single : A 33 GLN : amide:sc= -0.637 X(o=-0.64,f=-0.28) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00509 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= -0.113 (180deg=-0.578) USER MOD Single : A 43 THR OG1 : rot -85:sc= 1.14 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 50 ASN : amide:sc= 0.607 K(o=0.61,f=-0.98) USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= -0.17 (180deg=-0.984) USER MOD Single : A 57 THR OG1 : rot 77:sc= 1.28 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 71 MET CE :methyl -131:sc= -0.424 (180deg=-1.72) USER MOD Single : A 72 MET CE :methyl -149:sc= -0.223 (180deg=-0.846) USER MOD Single : A 73 THR OG1 : rot 72:sc= 0.342 USER MOD Single : A 76 GLN : amide:sc= -0.843 K(o=-0.84,f=-3.8!) USER MOD Single : A 83 HIS : no HE2:sc= 0.662 K(o=0.66,f=-3!) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc= 2.43 (180deg=2.27) USER MOD Single : A 92 MET CE :methyl -164:sc= -0.0523 (180deg=-0.387) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -102:sc= 1.3 USER MOD Single : A 102 MET CE :methyl -156:sc= -0.223 (180deg=-0.886) USER MOD Single : A 104 GLN : amide:sc= 0.166 X(o=0.17,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -169:sc=-0.00373 (180deg=-0.112) USER MOD Single : A 107 ASN : amide:sc= 0.00911 K(o=0.0091,f=-6.5!) USER MOD Single : A 110 ASN : amide:sc= 0.206 X(o=0.21,f=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0275) USER MOD Single : A 114 THR OG1 : rot -18:sc= 0.355 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -5.55! C(o=-5.6!,f=-13!) USER MOD Single : A 122 LYS NZ :NH3+ 165:sc= 1.04 (180deg=0.555) USER MOD Single : A 128 LYS NZ :NH3+ 166:sc= -0.0407 (180deg=-0.236) USER MOD Single : A 129 ASN : amide:sc= -0.0399 K(o=-0.04,f=-2.8!) USER MOD Single : A 135 LYS NZ :NH3+ 164:sc= 1.41 (180deg=1.08) USER MOD Single : A 136 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.09) USER MOD Single : A 143 LYS NZ :NH3+ -136:sc= -0.323 (180deg=-2.04!) USER MOD Single : A 147 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.19) USER MOD Single : A 148 MET CE :methyl -135:sc= -0.335 (180deg=-1.15) USER MOD Single : A 149 LYS NZ :NH3+ -169:sc=-0.000417 (180deg=-0.13) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.365 -1.601 -23.994 1.00 20.39 N ATOM 2 CA MET A 1 26.281 -0.219 -23.460 1.00 19.96 C ATOM 3 C MET A 1 25.015 -0.019 -22.635 1.00 19.35 C ATOM 4 O MET A 1 24.254 0.921 -22.866 1.00 19.23 O ATOM 5 CB MET A 1 26.317 0.806 -24.600 1.00 20.24 C ATOM 6 CG MET A 1 27.698 1.026 -25.197 1.00 20.56 C ATOM 7 SD MET A 1 28.357 -0.433 -26.027 1.00 20.81 S ATOM 8 CE MET A 1 27.234 -0.575 -27.418 1.00 20.97 C ATOM 0 H1 MET A 1 27.084 -1.640 -24.745 1.00 20.39 H new ATOM 0 H2 MET A 1 26.628 -2.254 -23.228 1.00 20.39 H new ATOM 0 H3 MET A 1 25.442 -1.879 -24.384 1.00 20.39 H new ATOM 0 HA MET A 1 27.145 -0.067 -22.813 1.00 19.96 H new ATOM 0 HB2 MET A 1 25.640 0.479 -25.389 1.00 20.24 H new ATOM 0 HB3 MET A 1 25.938 1.758 -24.229 1.00 20.24 H new ATOM 0 HG2 MET A 1 27.651 1.850 -25.909 1.00 20.56 H new ATOM 0 HG3 MET A 1 28.385 1.326 -24.406 1.00 20.56 H new ATOM 0 HE1 MET A 1 27.674 -1.224 -28.176 1.00 20.97 H new ATOM 0 HE2 MET A 1 26.289 -1.000 -27.081 1.00 20.97 H new ATOM 0 HE3 MET A 1 27.056 0.412 -27.844 1.00 20.97 H new ATOM 20 N TYR A 2 24.790 -0.897 -21.671 1.00 19.08 N ATOM 21 CA TYR A 2 23.639 -0.779 -20.790 1.00 18.61 C ATOM 22 C TYR A 2 24.076 -0.836 -19.334 1.00 17.62 C ATOM 23 O TYR A 2 23.477 -1.533 -18.510 1.00 17.34 O ATOM 24 CB TYR A 2 22.609 -1.871 -21.093 1.00 19.12 C ATOM 25 CG TYR A 2 21.858 -1.638 -22.382 1.00 19.80 C ATOM 26 CD1 TYR A 2 20.898 -0.639 -22.486 1.00 19.93 C ATOM 27 CD2 TYR A 2 22.103 -2.430 -23.496 1.00 20.43 C ATOM 28 CE1 TYR A 2 20.209 -0.432 -23.667 1.00 20.67 C ATOM 29 CE2 TYR A 2 21.420 -2.229 -24.677 1.00 21.16 C ATOM 30 CZ TYR A 2 20.475 -1.190 -24.750 1.00 21.27 C ATOM 31 OH TYR A 2 19.790 -1.029 -25.935 1.00 22.10 O ATOM 0 H TYR A 2 25.389 -1.700 -21.478 1.00 19.08 H new ATOM 0 HA TYR A 2 23.167 0.187 -20.968 1.00 18.61 H new ATOM 0 HB2 TYR A 2 23.115 -2.835 -21.144 1.00 19.12 H new ATOM 0 HB3 TYR A 2 21.897 -1.928 -20.270 1.00 19.12 H new ATOM 0 HD1 TYR A 2 20.687 -0.014 -21.631 1.00 19.93 H new ATOM 0 HD2 TYR A 2 22.841 -3.217 -23.436 1.00 20.43 H new ATOM 0 HE1 TYR A 2 19.455 0.339 -23.722 1.00 20.67 H new ATOM 0 HE2 TYR A 2 21.608 -2.860 -25.533 1.00 21.16 H new ATOM 0 HH TYR A 2 20.127 -1.668 -26.597 1.00 22.10 H new ATOM 41 N SER A 3 25.126 -0.095 -19.031 1.00 17.23 N ATOM 42 CA SER A 3 25.651 -0.005 -17.681 1.00 16.40 C ATOM 43 C SER A 3 25.783 1.460 -17.265 1.00 15.74 C ATOM 44 O SER A 3 26.857 2.055 -17.378 1.00 15.62 O ATOM 45 CB SER A 3 27.007 -0.710 -17.605 1.00 16.48 C ATOM 46 OG SER A 3 26.880 -2.092 -17.900 1.00 16.86 O ATOM 0 H SER A 3 25.639 0.462 -19.714 1.00 17.23 H new ATOM 0 HA SER A 3 24.962 -0.497 -16.994 1.00 16.40 H new ATOM 0 HB2 SER A 3 27.701 -0.247 -18.307 1.00 16.48 H new ATOM 0 HB3 SER A 3 27.430 -0.585 -16.608 1.00 16.48 H new ATOM 0 HG SER A 3 27.760 -2.520 -17.847 1.00 16.86 H new ATOM 52 N PRO A 4 24.680 2.068 -16.794 1.00 15.46 N ATOM 53 CA PRO A 4 24.665 3.479 -16.408 1.00 15.00 C ATOM 54 C PRO A 4 25.386 3.739 -15.085 1.00 14.24 C ATOM 55 O PRO A 4 25.461 2.863 -14.219 1.00 13.43 O ATOM 56 CB PRO A 4 23.177 3.791 -16.285 1.00 15.20 C ATOM 57 CG PRO A 4 22.561 2.495 -15.906 1.00 15.47 C ATOM 58 CD PRO A 4 23.364 1.433 -16.608 1.00 15.76 C ATOM 0 HA PRO A 4 25.188 4.104 -17.131 1.00 15.00 H new ATOM 0 HB2 PRO A 4 22.992 4.555 -15.530 1.00 15.20 H new ATOM 0 HB3 PRO A 4 22.770 4.165 -17.224 1.00 15.20 H new ATOM 0 HG2 PRO A 4 22.586 2.352 -14.826 1.00 15.47 H new ATOM 0 HG3 PRO A 4 21.515 2.457 -16.209 1.00 15.47 H new ATOM 0 HD2 PRO A 4 23.437 0.524 -16.011 1.00 15.76 H new ATOM 0 HD3 PRO A 4 22.914 1.153 -17.561 1.00 15.76 H new ATOM 66 N THR A 5 25.883 4.953 -14.936 1.00 14.65 N ATOM 67 CA THR A 5 26.813 5.302 -13.865 1.00 14.22 C ATOM 68 C THR A 5 26.279 4.987 -12.464 1.00 13.17 C ATOM 69 O THR A 5 26.886 4.203 -11.727 1.00 12.56 O ATOM 70 CB THR A 5 27.190 6.792 -13.958 1.00 15.22 C ATOM 71 OG1 THR A 5 27.847 7.043 -15.209 1.00 15.79 O ATOM 72 CG2 THR A 5 28.098 7.200 -12.811 1.00 15.33 C ATOM 0 H THR A 5 25.655 5.732 -15.554 1.00 14.65 H new ATOM 0 HA THR A 5 27.695 4.679 -14.009 1.00 14.22 H new ATOM 0 HB THR A 5 26.276 7.383 -13.895 1.00 15.22 H new ATOM 0 HG1 THR A 5 28.085 7.992 -15.269 1.00 15.79 H new ATOM 0 HG21 THR A 5 28.348 8.257 -12.903 1.00 15.33 H new ATOM 0 HG22 THR A 5 27.587 7.029 -11.864 1.00 15.33 H new ATOM 0 HG23 THR A 5 29.012 6.607 -12.842 1.00 15.33 H new ATOM 80 N SER A 6 25.140 5.569 -12.122 1.00 13.06 N ATOM 81 CA SER A 6 24.584 5.473 -10.770 1.00 12.17 C ATOM 82 C SER A 6 24.324 4.023 -10.354 1.00 11.07 C ATOM 83 O SER A 6 24.239 3.715 -9.163 1.00 10.23 O ATOM 84 CB SER A 6 23.285 6.271 -10.697 1.00 12.55 C ATOM 85 OG SER A 6 23.450 7.562 -11.262 1.00 13.32 O ATOM 0 H SER A 6 24.573 6.120 -12.766 1.00 13.06 H new ATOM 0 HA SER A 6 25.319 5.884 -10.078 1.00 12.17 H new ATOM 0 HB2 SER A 6 22.495 5.737 -11.226 1.00 12.55 H new ATOM 0 HB3 SER A 6 22.968 6.362 -9.658 1.00 12.55 H new ATOM 0 HG SER A 6 22.604 8.054 -11.206 1.00 13.32 H new ATOM 91 N ILE A 7 24.217 3.142 -11.334 1.00 11.18 N ATOM 92 CA ILE A 7 23.906 1.744 -11.077 1.00 10.37 C ATOM 93 C ILE A 7 25.169 0.982 -10.682 1.00 9.98 C ATOM 94 O ILE A 7 25.144 0.146 -9.782 1.00 9.20 O ATOM 95 CB ILE A 7 23.225 1.080 -12.306 1.00 10.88 C ATOM 96 CG1 ILE A 7 21.732 1.446 -12.373 1.00 11.65 C ATOM 97 CG2 ILE A 7 23.385 -0.436 -12.276 1.00 10.56 C ATOM 98 CD1 ILE A 7 21.448 2.931 -12.484 1.00 12.15 C ATOM 0 H ILE A 7 24.341 3.371 -12.320 1.00 11.18 H new ATOM 0 HA ILE A 7 23.200 1.704 -10.247 1.00 10.37 H new ATOM 0 HB ILE A 7 23.722 1.463 -13.198 1.00 10.88 H new ATOM 0 HG12 ILE A 7 21.286 0.940 -13.229 1.00 11.65 H new ATOM 0 HG13 ILE A 7 21.237 1.061 -11.481 1.00 11.65 H new ATOM 0 HG21 ILE A 7 22.898 -0.871 -13.149 1.00 10.56 H new ATOM 0 HG22 ILE A 7 24.445 -0.690 -12.288 1.00 10.56 H new ATOM 0 HG23 ILE A 7 22.927 -0.832 -11.370 1.00 10.56 H new ATOM 0 HD11 ILE A 7 20.371 3.093 -12.525 1.00 12.15 H new ATOM 0 HD12 ILE A 7 21.860 3.446 -11.616 1.00 12.15 H new ATOM 0 HD13 ILE A 7 21.909 3.323 -13.391 1.00 12.15 H new ATOM 110 N LEU A 8 26.278 1.301 -11.338 1.00 10.74 N ATOM 111 CA LEU A 8 27.557 0.678 -11.023 1.00 10.77 C ATOM 112 C LEU A 8 28.177 1.308 -9.782 1.00 10.46 C ATOM 113 O LEU A 8 29.063 0.726 -9.158 1.00 10.30 O ATOM 114 CB LEU A 8 28.525 0.771 -12.209 1.00 11.94 C ATOM 115 CG LEU A 8 28.282 -0.232 -13.345 1.00 12.47 C ATOM 116 CD1 LEU A 8 28.292 -1.655 -12.814 1.00 12.44 C ATOM 117 CD2 LEU A 8 26.974 0.057 -14.060 1.00 13.09 C ATOM 0 H LEU A 8 26.317 1.988 -12.091 1.00 10.74 H new ATOM 0 HA LEU A 8 27.370 -0.376 -10.818 1.00 10.77 H new ATOM 0 HB2 LEU A 8 28.471 1.779 -12.621 1.00 11.94 H new ATOM 0 HB3 LEU A 8 29.540 0.633 -11.838 1.00 11.94 H new ATOM 0 HG LEU A 8 29.093 -0.124 -14.065 1.00 12.47 H new ATOM 0 HD11 LEU A 8 28.118 -2.351 -13.635 1.00 12.44 H new ATOM 0 HD12 LEU A 8 29.259 -1.866 -12.358 1.00 12.44 H new ATOM 0 HD13 LEU A 8 27.506 -1.770 -12.068 1.00 12.44 H new ATOM 0 HD21 LEU A 8 26.828 -0.669 -14.860 1.00 13.09 H new ATOM 0 HD22 LEU A 8 26.149 -0.013 -13.351 1.00 13.09 H new ATOM 0 HD23 LEU A 8 27.005 1.061 -14.483 1.00 13.09 H new ATOM 129 N ASP A 9 27.724 2.507 -9.437 1.00 10.57 N ATOM 130 CA ASP A 9 28.167 3.167 -8.211 1.00 10.51 C ATOM 131 C ASP A 9 27.347 2.709 -7.017 1.00 9.48 C ATOM 132 O ASP A 9 27.647 3.084 -5.882 1.00 9.50 O ATOM 133 CB ASP A 9 28.077 4.687 -8.331 1.00 11.48 C ATOM 134 CG ASP A 9 29.298 5.294 -8.982 1.00 12.16 C ATOM 135 OD1 ASP A 9 29.174 5.822 -10.107 1.00 12.46 O ATOM 136 OD2 ASP A 9 30.392 5.228 -8.385 1.00 12.54 O ATOM 0 H ASP A 9 27.052 3.043 -9.986 1.00 10.57 H new ATOM 0 HA ASP A 9 29.209 2.887 -8.059 1.00 10.51 H new ATOM 0 HB2 ASP A 9 27.192 4.950 -8.911 1.00 11.48 H new ATOM 0 HB3 ASP A 9 27.947 5.119 -7.339 1.00 11.48 H new ATOM 141 N ILE A 10 26.329 1.883 -7.296 1.00 8.74 N ATOM 142 CA ILE A 10 25.444 1.290 -6.287 1.00 7.86 C ATOM 143 C ILE A 10 25.225 2.195 -5.071 1.00 7.43 C ATOM 144 O ILE A 10 25.515 1.820 -3.932 1.00 6.73 O ATOM 145 CB ILE A 10 25.916 -0.121 -5.832 1.00 7.25 C ATOM 146 CG1 ILE A 10 27.343 -0.115 -5.240 1.00 7.42 C ATOM 147 CG2 ILE A 10 25.826 -1.095 -6.996 1.00 7.55 C ATOM 148 CD1 ILE A 10 28.457 -0.256 -6.259 1.00 7.84 C ATOM 0 H ILE A 10 26.094 1.604 -8.248 1.00 8.74 H new ATOM 0 HA ILE A 10 24.483 1.179 -6.789 1.00 7.86 H new ATOM 0 HB ILE A 10 25.250 -0.442 -5.031 1.00 7.25 H new ATOM 0 HG12 ILE A 10 27.489 0.815 -4.690 1.00 7.42 H new ATOM 0 HG13 ILE A 10 27.425 -0.928 -4.519 1.00 7.42 H new ATOM 0 HG21 ILE A 10 26.158 -2.081 -6.672 1.00 7.55 H new ATOM 0 HG22 ILE A 10 24.794 -1.155 -7.341 1.00 7.55 H new ATOM 0 HG23 ILE A 10 26.462 -0.748 -7.811 1.00 7.55 H new ATOM 0 HD11 ILE A 10 29.420 -0.241 -5.749 1.00 7.84 H new ATOM 0 HD12 ILE A 10 28.344 -1.199 -6.794 1.00 7.84 H new ATOM 0 HD13 ILE A 10 28.409 0.571 -6.968 1.00 7.84 H new ATOM 160 N ARG A 11 24.712 3.392 -5.319 1.00 8.07 N ATOM 161 CA ARG A 11 24.457 4.337 -4.249 1.00 7.96 C ATOM 162 C ARG A 11 23.089 4.994 -4.401 1.00 7.79 C ATOM 163 O ARG A 11 22.474 4.953 -5.469 1.00 8.29 O ATOM 164 CB ARG A 11 25.553 5.404 -4.192 1.00 9.08 C ATOM 165 CG ARG A 11 25.694 6.230 -5.456 1.00 9.98 C ATOM 166 CD ARG A 11 26.683 7.361 -5.245 1.00 10.66 C ATOM 167 NE ARG A 11 26.899 8.151 -6.455 1.00 11.50 N ATOM 168 CZ ARG A 11 27.302 9.420 -6.455 1.00 12.34 C ATOM 169 NH1 ARG A 11 27.544 10.048 -5.310 1.00 12.46 N ATOM 170 NH2 ARG A 11 27.474 10.060 -7.603 1.00 13.19 N ATOM 0 H ARG A 11 24.466 3.728 -6.250 1.00 8.07 H new ATOM 0 HA ARG A 11 24.463 3.780 -3.312 1.00 7.96 H new ATOM 0 HB2 ARG A 11 25.347 6.074 -3.357 1.00 9.08 H new ATOM 0 HB3 ARG A 11 26.506 4.917 -3.983 1.00 9.08 H new ATOM 0 HG2 ARG A 11 26.028 5.595 -6.277 1.00 9.98 H new ATOM 0 HG3 ARG A 11 24.724 6.636 -5.742 1.00 9.98 H new ATOM 0 HD2 ARG A 11 26.320 8.013 -4.450 1.00 10.66 H new ATOM 0 HD3 ARG A 11 27.635 6.949 -4.910 1.00 10.66 H new ATOM 0 HE ARG A 11 26.731 7.703 -7.356 1.00 11.50 H new ATOM 0 HH11 ARG A 11 27.421 9.558 -4.424 1.00 12.46 H new ATOM 0 HH12 ARG A 11 27.853 11.020 -5.317 1.00 12.46 H new ATOM 0 HH21 ARG A 11 27.298 9.580 -8.486 1.00 13.19 H new ATOM 0 HH22 ARG A 11 27.783 11.032 -7.604 1.00 13.19 H new ATOM 184 N GLN A 12 22.638 5.600 -3.316 1.00 7.29 N ATOM 185 CA GLN A 12 21.313 6.194 -3.240 1.00 7.16 C ATOM 186 C GLN A 12 21.379 7.692 -3.501 1.00 7.82 C ATOM 187 O GLN A 12 22.263 8.384 -2.991 1.00 8.10 O ATOM 188 CB GLN A 12 20.721 5.946 -1.850 1.00 6.33 C ATOM 189 CG GLN A 12 19.291 6.434 -1.682 1.00 6.44 C ATOM 190 CD GLN A 12 18.797 6.328 -0.249 1.00 6.33 C ATOM 191 OE1 GLN A 12 17.970 7.120 0.193 1.00 6.37 O ATOM 192 NE2 GLN A 12 19.303 5.352 0.492 1.00 6.60 N ATOM 0 H GLN A 12 23.183 5.695 -2.459 1.00 7.29 H new ATOM 0 HA GLN A 12 20.682 5.734 -4.000 1.00 7.16 H new ATOM 0 HB2 GLN A 12 20.755 4.877 -1.639 1.00 6.33 H new ATOM 0 HB3 GLN A 12 21.350 6.437 -1.107 1.00 6.33 H new ATOM 0 HG2 GLN A 12 19.226 7.472 -2.008 1.00 6.44 H new ATOM 0 HG3 GLN A 12 18.635 5.854 -2.331 1.00 6.44 H new ATOM 0 HE21 GLN A 12 19.989 4.711 0.092 1.00 6.60 H new ATOM 0 HE22 GLN A 12 19.007 5.242 1.462 1.00 6.60 H new ATOM 201 N GLY A 13 20.447 8.186 -4.298 1.00 8.30 N ATOM 202 CA GLY A 13 20.339 9.610 -4.521 1.00 9.01 C ATOM 203 C GLY A 13 19.186 10.202 -3.739 1.00 8.63 C ATOM 204 O GLY A 13 18.583 9.514 -2.918 1.00 7.84 O ATOM 0 H GLY A 13 19.759 7.622 -4.797 1.00 8.30 H new ATOM 0 HA2 GLY A 13 21.269 10.098 -4.228 1.00 9.01 H new ATOM 0 HA3 GLY A 13 20.198 9.804 -5.584 1.00 9.01 H new ATOM 208 N PRO A 14 18.841 11.474 -3.981 1.00 9.33 N ATOM 209 CA PRO A 14 17.784 12.162 -3.229 1.00 9.17 C ATOM 210 C PRO A 14 16.389 11.615 -3.524 1.00 8.90 C ATOM 211 O PRO A 14 15.463 11.797 -2.734 1.00 8.50 O ATOM 212 CB PRO A 14 17.897 13.614 -3.703 1.00 10.25 C ATOM 213 CG PRO A 14 18.523 13.527 -5.051 1.00 10.91 C ATOM 214 CD PRO A 14 19.450 12.345 -5.003 1.00 10.46 C ATOM 0 HA PRO A 14 17.911 12.033 -2.154 1.00 9.17 H new ATOM 0 HB2 PRO A 14 16.918 14.091 -3.752 1.00 10.25 H new ATOM 0 HB3 PRO A 14 18.507 14.206 -3.021 1.00 10.25 H new ATOM 0 HG2 PRO A 14 17.766 13.398 -5.825 1.00 10.91 H new ATOM 0 HG3 PRO A 14 19.068 14.441 -5.288 1.00 10.91 H new ATOM 0 HD2 PRO A 14 19.515 11.846 -5.970 1.00 10.46 H new ATOM 0 HD3 PRO A 14 20.463 12.640 -4.728 1.00 10.46 H new ATOM 222 N LYS A 15 16.244 10.943 -4.658 1.00 9.36 N ATOM 223 CA LYS A 15 14.941 10.449 -5.087 1.00 9.53 C ATOM 224 C LYS A 15 14.940 8.929 -5.218 1.00 9.20 C ATOM 225 O LYS A 15 13.978 8.341 -5.717 1.00 9.66 O ATOM 226 CB LYS A 15 14.562 11.093 -6.422 1.00 10.67 C ATOM 227 CG LYS A 15 15.536 10.771 -7.547 1.00 11.41 C ATOM 228 CD LYS A 15 15.258 11.591 -8.796 1.00 12.05 C ATOM 229 CE LYS A 15 13.893 11.280 -9.396 1.00 12.96 C ATOM 230 NZ LYS A 15 13.788 9.869 -9.859 1.00 13.55 N ATOM 0 H LYS A 15 17.010 10.727 -5.296 1.00 9.36 H new ATOM 0 HA LYS A 15 14.205 10.719 -4.329 1.00 9.53 H new ATOM 0 HB2 LYS A 15 13.565 10.759 -6.708 1.00 10.67 H new ATOM 0 HB3 LYS A 15 14.511 12.174 -6.294 1.00 10.67 H new ATOM 0 HG2 LYS A 15 16.555 10.960 -7.209 1.00 11.41 H new ATOM 0 HG3 LYS A 15 15.472 9.710 -7.789 1.00 11.41 H new ATOM 0 HD2 LYS A 15 15.313 12.652 -8.552 1.00 12.05 H new ATOM 0 HD3 LYS A 15 16.032 11.394 -9.538 1.00 12.05 H new ATOM 0 HE2 LYS A 15 13.119 11.475 -8.654 1.00 12.96 H new ATOM 0 HE3 LYS A 15 13.706 11.950 -10.235 1.00 12.96 H new ATOM 0 HZ1 LYS A 15 12.922 9.752 -10.423 1.00 13.55 H new ATOM 0 HZ2 LYS A 15 14.616 9.633 -10.443 1.00 13.55 H new ATOM 0 HZ3 LYS A 15 13.753 9.235 -9.035 1.00 13.55 H new ATOM 244 N GLU A 16 16.014 8.299 -4.764 1.00 8.57 N ATOM 245 CA GLU A 16 16.165 6.857 -4.910 1.00 8.39 C ATOM 246 C GLU A 16 15.756 6.140 -3.624 1.00 7.72 C ATOM 247 O GLU A 16 16.282 6.436 -2.554 1.00 6.94 O ATOM 248 CB GLU A 16 17.615 6.510 -5.245 1.00 8.10 C ATOM 249 CG GLU A 16 17.769 5.175 -5.952 1.00 8.26 C ATOM 250 CD GLU A 16 17.281 5.222 -7.385 1.00 9.36 C ATOM 251 OE1 GLU A 16 18.128 5.268 -8.305 1.00 9.85 O ATOM 252 OE2 GLU A 16 16.053 5.225 -7.607 1.00 9.91 O ATOM 0 H GLU A 16 16.792 8.761 -4.293 1.00 8.57 H new ATOM 0 HA GLU A 16 15.516 6.528 -5.722 1.00 8.39 H new ATOM 0 HB2 GLU A 16 18.033 7.296 -5.874 1.00 8.10 H new ATOM 0 HB3 GLU A 16 18.199 6.495 -4.325 1.00 8.10 H new ATOM 0 HG2 GLU A 16 18.818 4.878 -5.938 1.00 8.26 H new ATOM 0 HG3 GLU A 16 17.214 4.412 -5.407 1.00 8.26 H new ATOM 259 N PRO A 17 14.806 5.198 -3.707 1.00 8.28 N ATOM 260 CA PRO A 17 14.396 4.393 -2.557 1.00 8.07 C ATOM 261 C PRO A 17 15.467 3.383 -2.137 1.00 7.31 C ATOM 262 O PRO A 17 16.224 2.891 -2.976 1.00 7.39 O ATOM 263 CB PRO A 17 13.137 3.657 -3.039 1.00 9.21 C ATOM 264 CG PRO A 17 12.766 4.295 -4.339 1.00 9.95 C ATOM 265 CD PRO A 17 14.036 4.857 -4.909 1.00 9.45 C ATOM 0 HA PRO A 17 14.226 5.018 -1.680 1.00 8.07 H new ATOM 0 HB2 PRO A 17 13.331 2.592 -3.167 1.00 9.21 H new ATOM 0 HB3 PRO A 17 12.329 3.748 -2.314 1.00 9.21 H new ATOM 0 HG2 PRO A 17 12.324 3.566 -5.018 1.00 9.95 H new ATOM 0 HG3 PRO A 17 12.026 5.081 -4.189 1.00 9.95 H new ATOM 0 HD2 PRO A 17 14.557 4.129 -5.531 1.00 9.45 H new ATOM 0 HD3 PRO A 17 13.848 5.732 -5.531 1.00 9.45 H new ATOM 273 N PHE A 18 15.528 3.081 -0.843 1.00 6.75 N ATOM 274 CA PHE A 18 16.534 2.162 -0.303 1.00 6.11 C ATOM 275 C PHE A 18 16.560 0.846 -1.077 1.00 6.56 C ATOM 276 O PHE A 18 17.562 0.504 -1.704 1.00 6.14 O ATOM 277 CB PHE A 18 16.254 1.889 1.179 1.00 6.14 C ATOM 278 CG PHE A 18 17.368 1.177 1.902 1.00 5.98 C ATOM 279 CD1 PHE A 18 17.291 -0.185 2.146 1.00 6.36 C ATOM 280 CD2 PHE A 18 18.494 1.866 2.323 1.00 5.83 C ATOM 281 CE1 PHE A 18 18.316 -0.846 2.796 1.00 6.55 C ATOM 282 CE2 PHE A 18 19.521 1.211 2.975 1.00 6.04 C ATOM 283 CZ PHE A 18 19.415 -0.124 3.260 1.00 6.38 C ATOM 0 H PHE A 18 14.890 3.460 -0.143 1.00 6.75 H new ATOM 0 HA PHE A 18 17.510 2.635 -0.408 1.00 6.11 H new ATOM 0 HB2 PHE A 18 16.060 2.837 1.680 1.00 6.14 H new ATOM 0 HB3 PHE A 18 15.345 1.293 1.261 1.00 6.14 H new ATOM 0 HD1 PHE A 18 16.420 -0.736 1.824 1.00 6.36 H new ATOM 0 HD2 PHE A 18 18.570 2.928 2.139 1.00 5.83 H new ATOM 0 HE1 PHE A 18 18.266 -1.915 2.944 1.00 6.55 H new ATOM 0 HE2 PHE A 18 20.410 1.754 3.261 1.00 6.04 H new ATOM 0 HZ PHE A 18 20.180 -0.616 3.842 1.00 6.38 H new ATOM 293 N ARG A 19 15.433 0.141 -1.071 1.00 7.57 N ATOM 294 CA ARG A 19 15.340 -1.192 -1.670 1.00 8.30 C ATOM 295 C ARG A 19 15.517 -1.159 -3.191 1.00 8.53 C ATOM 296 O ARG A 19 15.500 -2.202 -3.844 1.00 8.98 O ATOM 297 CB ARG A 19 13.996 -1.833 -1.326 1.00 9.53 C ATOM 298 CG ARG A 19 12.803 -1.038 -1.828 1.00 10.28 C ATOM 299 CD ARG A 19 11.496 -1.769 -1.577 1.00 11.35 C ATOM 300 NE ARG A 19 10.349 -1.007 -2.063 1.00 12.03 N ATOM 301 CZ ARG A 19 9.081 -1.330 -1.820 1.00 13.02 C ATOM 302 NH1 ARG A 19 8.792 -2.411 -1.105 1.00 13.43 N ATOM 303 NH2 ARG A 19 8.102 -0.577 -2.301 1.00 13.72 N ATOM 0 H ARG A 19 14.563 0.472 -0.655 1.00 7.57 H new ATOM 0 HA ARG A 19 16.153 -1.787 -1.253 1.00 8.30 H new ATOM 0 HB2 ARG A 19 13.960 -2.836 -1.752 1.00 9.53 H new ATOM 0 HB3 ARG A 19 13.921 -1.943 -0.244 1.00 9.53 H new ATOM 0 HG2 ARG A 19 12.778 -0.067 -1.333 1.00 10.28 H new ATOM 0 HG3 ARG A 19 12.915 -0.849 -2.896 1.00 10.28 H new ATOM 0 HD2 ARG A 19 11.522 -2.741 -2.070 1.00 11.35 H new ATOM 0 HD3 ARG A 19 11.383 -1.956 -0.509 1.00 11.35 H new ATOM 0 HE ARG A 19 10.531 -0.175 -2.624 1.00 12.03 H new ATOM 0 HH11 ARG A 19 9.543 -2.997 -0.740 1.00 13.43 H new ATOM 0 HH12 ARG A 19 7.819 -2.655 -0.921 1.00 13.43 H new ATOM 0 HH21 ARG A 19 8.321 0.250 -2.857 1.00 13.72 H new ATOM 0 HH22 ARG A 19 7.130 -0.824 -2.115 1.00 13.72 H new ATOM 317 N ASP A 20 15.679 0.031 -3.752 1.00 8.44 N ATOM 318 CA ASP A 20 15.876 0.169 -5.182 1.00 9.01 C ATOM 319 C ASP A 20 17.359 0.095 -5.501 1.00 8.27 C ATOM 320 O ASP A 20 17.789 -0.743 -6.286 1.00 8.68 O ATOM 321 CB ASP A 20 15.292 1.488 -5.686 1.00 9.59 C ATOM 322 CG ASP A 20 15.262 1.569 -7.198 1.00 10.55 C ATOM 323 OD1 ASP A 20 14.179 1.409 -7.788 1.00 11.24 O ATOM 324 OD2 ASP A 20 16.335 1.781 -7.806 1.00 10.78 O ATOM 0 H ASP A 20 15.677 0.911 -3.237 1.00 8.44 H new ATOM 0 HA ASP A 20 15.357 -0.645 -5.687 1.00 9.01 H new ATOM 0 HB2 ASP A 20 14.280 1.605 -5.299 1.00 9.59 H new ATOM 0 HB3 ASP A 20 15.881 2.316 -5.293 1.00 9.59 H new ATOM 329 N TYR A 21 18.151 0.947 -4.860 1.00 7.30 N ATOM 330 CA TYR A 21 19.586 0.957 -5.109 1.00 6.73 C ATOM 331 C TYR A 21 20.244 -0.250 -4.452 1.00 6.19 C ATOM 332 O TYR A 21 21.258 -0.753 -4.935 1.00 6.24 O ATOM 333 CB TYR A 21 20.228 2.263 -4.626 1.00 6.06 C ATOM 334 CG TYR A 21 20.684 2.266 -3.180 1.00 5.92 C ATOM 335 CD1 TYR A 21 19.788 2.544 -2.153 1.00 6.01 C ATOM 336 CD2 TYR A 21 21.998 1.980 -2.840 1.00 6.13 C ATOM 337 CE1 TYR A 21 20.189 2.538 -0.833 1.00 6.36 C ATOM 338 CE2 TYR A 21 22.407 1.973 -1.521 1.00 6.47 C ATOM 339 CZ TYR A 21 21.541 2.289 -0.534 1.00 6.60 C ATOM 340 OH TYR A 21 21.907 2.242 0.794 1.00 7.29 O ATOM 0 H TYR A 21 17.829 1.630 -4.174 1.00 7.30 H new ATOM 0 HA TYR A 21 19.744 0.895 -6.186 1.00 6.73 H new ATOM 0 HB2 TYR A 21 21.086 2.483 -5.261 1.00 6.06 H new ATOM 0 HB3 TYR A 21 19.513 3.073 -4.766 1.00 6.06 H new ATOM 0 HD1 TYR A 21 18.759 2.769 -2.393 1.00 6.01 H new ATOM 0 HD2 TYR A 21 22.713 1.759 -3.619 1.00 6.13 H new ATOM 0 HE1 TYR A 21 19.477 2.721 -0.042 1.00 6.36 H new ATOM 0 HE2 TYR A 21 23.426 1.713 -1.277 1.00 6.47 H new ATOM 0 HH TYR A 21 21.146 1.939 1.332 1.00 7.29 H new ATOM 350 N VAL A 22 19.649 -0.723 -3.359 1.00 5.96 N ATOM 351 CA VAL A 22 20.127 -1.928 -2.690 1.00 5.81 C ATOM 352 C VAL A 22 19.940 -3.128 -3.607 1.00 6.77 C ATOM 353 O VAL A 22 20.697 -4.095 -3.556 1.00 6.77 O ATOM 354 CB VAL A 22 19.396 -2.170 -1.347 1.00 5.93 C ATOM 355 CG1 VAL A 22 19.746 -3.529 -0.758 1.00 6.61 C ATOM 356 CG2 VAL A 22 19.742 -1.070 -0.356 1.00 5.41 C ATOM 0 H VAL A 22 18.837 -0.290 -2.919 1.00 5.96 H new ATOM 0 HA VAL A 22 21.185 -1.792 -2.468 1.00 5.81 H new ATOM 0 HB VAL A 22 18.324 -2.155 -1.544 1.00 5.93 H new ATOM 0 HG11 VAL A 22 19.215 -3.665 0.184 1.00 6.61 H new ATOM 0 HG12 VAL A 22 19.454 -4.314 -1.456 1.00 6.61 H new ATOM 0 HG13 VAL A 22 20.820 -3.583 -0.580 1.00 6.61 H new ATOM 0 HG21 VAL A 22 19.222 -1.251 0.585 1.00 5.41 H new ATOM 0 HG22 VAL A 22 20.818 -1.064 -0.181 1.00 5.41 H new ATOM 0 HG23 VAL A 22 19.435 -0.106 -0.761 1.00 5.41 H new ATOM 366 N ASP A 23 18.949 -3.029 -4.482 1.00 7.71 N ATOM 367 CA ASP A 23 18.710 -4.058 -5.484 1.00 8.82 C ATOM 368 C ASP A 23 19.913 -4.158 -6.408 1.00 8.87 C ATOM 369 O ASP A 23 20.401 -5.250 -6.709 1.00 9.30 O ATOM 370 CB ASP A 23 17.454 -3.738 -6.296 1.00 9.88 C ATOM 371 CG ASP A 23 17.366 -4.558 -7.568 1.00 11.09 C ATOM 372 OD1 ASP A 23 17.923 -4.125 -8.599 1.00 11.57 O ATOM 373 OD2 ASP A 23 16.750 -5.643 -7.539 1.00 11.68 O ATOM 0 H ASP A 23 18.297 -2.246 -4.518 1.00 7.71 H new ATOM 0 HA ASP A 23 18.559 -5.012 -4.979 1.00 8.82 H new ATOM 0 HB2 ASP A 23 16.571 -3.925 -5.684 1.00 9.88 H new ATOM 0 HB3 ASP A 23 17.448 -2.678 -6.549 1.00 9.88 H new ATOM 378 N ARG A 24 20.399 -2.998 -6.830 1.00 8.57 N ATOM 379 CA ARG A 24 21.575 -2.916 -7.676 1.00 8.91 C ATOM 380 C ARG A 24 22.782 -3.372 -6.885 1.00 8.10 C ATOM 381 O ARG A 24 23.541 -4.228 -7.324 1.00 8.53 O ATOM 382 CB ARG A 24 21.801 -1.478 -8.160 1.00 9.20 C ATOM 383 CG ARG A 24 20.844 -0.992 -9.244 1.00 9.35 C ATOM 384 CD ARG A 24 19.385 -1.070 -8.822 1.00 9.42 C ATOM 385 NE ARG A 24 18.516 -0.340 -9.741 1.00 10.13 N ATOM 386 CZ ARG A 24 17.337 -0.777 -10.181 1.00 10.62 C ATOM 387 NH1 ARG A 24 16.886 -1.979 -9.836 1.00 10.53 N ATOM 388 NH2 ARG A 24 16.612 -0.011 -10.987 1.00 11.36 N ATOM 0 H ARG A 24 19.989 -2.094 -6.595 1.00 8.57 H new ATOM 0 HA ARG A 24 21.427 -3.555 -8.547 1.00 8.91 H new ATOM 0 HB2 ARG A 24 21.722 -0.808 -7.304 1.00 9.20 H new ATOM 0 HB3 ARG A 24 22.821 -1.396 -8.536 1.00 9.20 H new ATOM 0 HG2 ARG A 24 21.088 0.039 -9.502 1.00 9.35 H new ATOM 0 HG3 ARG A 24 20.989 -1.589 -10.144 1.00 9.35 H new ATOM 0 HD2 ARG A 24 19.074 -2.114 -8.779 1.00 9.42 H new ATOM 0 HD3 ARG A 24 19.275 -0.663 -7.817 1.00 9.42 H new ATOM 0 HE ARG A 24 18.835 0.571 -10.070 1.00 10.13 H new ATOM 0 HH11 ARG A 24 17.444 -2.578 -9.228 1.00 10.53 H new ATOM 0 HH12 ARG A 24 15.982 -2.302 -10.179 1.00 10.53 H new ATOM 0 HH21 ARG A 24 16.958 0.907 -11.266 1.00 11.36 H new ATOM 0 HH22 ARG A 24 15.709 -0.340 -11.327 1.00 11.36 H new ATOM 402 N PHE A 25 22.905 -2.813 -5.692 1.00 7.02 N ATOM 403 CA PHE A 25 24.012 -3.085 -4.792 1.00 6.32 C ATOM 404 C PHE A 25 24.185 -4.579 -4.544 1.00 6.59 C ATOM 405 O PHE A 25 25.306 -5.066 -4.419 1.00 6.62 O ATOM 406 CB PHE A 25 23.755 -2.365 -3.468 1.00 5.33 C ATOM 407 CG PHE A 25 24.893 -2.442 -2.493 1.00 4.98 C ATOM 408 CD1 PHE A 25 25.895 -1.489 -2.508 1.00 4.85 C ATOM 409 CD2 PHE A 25 24.958 -3.463 -1.557 1.00 5.26 C ATOM 410 CE1 PHE A 25 26.940 -1.549 -1.610 1.00 4.99 C ATOM 411 CE2 PHE A 25 26.002 -3.529 -0.656 1.00 5.43 C ATOM 412 CZ PHE A 25 26.994 -2.572 -0.683 1.00 5.29 C ATOM 0 H PHE A 25 22.228 -2.148 -5.317 1.00 7.02 H new ATOM 0 HA PHE A 25 24.931 -2.723 -5.252 1.00 6.32 H new ATOM 0 HB2 PHE A 25 23.538 -1.317 -3.674 1.00 5.33 H new ATOM 0 HB3 PHE A 25 22.865 -2.789 -3.004 1.00 5.33 H new ATOM 0 HD1 PHE A 25 25.859 -0.688 -3.232 1.00 4.85 H new ATOM 0 HD2 PHE A 25 24.183 -4.215 -1.533 1.00 5.26 H new ATOM 0 HE1 PHE A 25 27.715 -0.797 -1.631 1.00 4.99 H new ATOM 0 HE2 PHE A 25 26.041 -4.329 0.069 1.00 5.43 H new ATOM 0 HZ PHE A 25 27.813 -2.622 0.020 1.00 5.29 H new ATOM 422 N TYR A 26 23.076 -5.305 -4.514 1.00 7.06 N ATOM 423 CA TYR A 26 23.100 -6.691 -4.108 1.00 7.60 C ATOM 424 C TYR A 26 23.385 -7.584 -5.298 1.00 8.54 C ATOM 425 O TYR A 26 24.190 -8.511 -5.215 1.00 8.87 O ATOM 426 CB TYR A 26 21.761 -7.067 -3.464 1.00 8.10 C ATOM 427 CG TYR A 26 21.700 -8.486 -2.943 1.00 8.84 C ATOM 428 CD1 TYR A 26 21.070 -9.489 -3.671 1.00 9.57 C ATOM 429 CD2 TYR A 26 22.270 -8.822 -1.723 1.00 9.04 C ATOM 430 CE1 TYR A 26 21.009 -10.785 -3.192 1.00 10.37 C ATOM 431 CE2 TYR A 26 22.214 -10.113 -1.239 1.00 9.88 C ATOM 432 CZ TYR A 26 21.583 -11.091 -1.977 1.00 10.50 C ATOM 433 OH TYR A 26 21.517 -12.380 -1.490 1.00 11.44 O ATOM 0 H TYR A 26 22.153 -4.952 -4.767 1.00 7.06 H new ATOM 0 HA TYR A 26 23.895 -6.832 -3.376 1.00 7.60 H new ATOM 0 HB2 TYR A 26 21.561 -6.381 -2.641 1.00 8.10 H new ATOM 0 HB3 TYR A 26 20.966 -6.926 -4.196 1.00 8.10 H new ATOM 0 HD1 TYR A 26 20.622 -9.253 -4.625 1.00 9.57 H new ATOM 0 HD2 TYR A 26 22.766 -8.059 -1.142 1.00 9.04 H new ATOM 0 HE1 TYR A 26 20.514 -11.553 -3.767 1.00 10.37 H new ATOM 0 HE2 TYR A 26 22.662 -10.356 -0.287 1.00 9.88 H new ATOM 0 HH TYR A 26 21.972 -12.426 -0.623 1.00 11.44 H new ATOM 443 N LYS A 27 22.747 -7.291 -6.420 1.00 9.08 N ATOM 444 CA LYS A 27 22.840 -8.165 -7.564 1.00 10.12 C ATOM 445 C LYS A 27 24.114 -7.903 -8.368 1.00 10.01 C ATOM 446 O LYS A 27 24.584 -8.772 -9.102 1.00 10.69 O ATOM 447 CB LYS A 27 21.564 -8.049 -8.394 1.00 10.87 C ATOM 448 CG LYS A 27 21.455 -6.844 -9.310 1.00 11.19 C ATOM 449 CD LYS A 27 20.147 -6.926 -10.082 1.00 12.15 C ATOM 450 CE LYS A 27 19.996 -5.830 -11.121 1.00 12.87 C ATOM 451 NZ LYS A 27 19.731 -4.505 -10.508 1.00 13.47 N ATOM 0 H LYS A 27 22.167 -6.463 -6.557 1.00 9.08 H new ATOM 0 HA LYS A 27 22.921 -9.199 -7.229 1.00 10.12 H new ATOM 0 HB2 LYS A 27 21.471 -8.949 -9.002 1.00 10.87 H new ATOM 0 HB3 LYS A 27 20.714 -8.036 -7.712 1.00 10.87 H new ATOM 0 HG2 LYS A 27 21.491 -5.924 -8.727 1.00 11.19 H new ATOM 0 HG3 LYS A 27 22.298 -6.818 -10.000 1.00 11.19 H new ATOM 0 HD2 LYS A 27 20.084 -7.896 -10.575 1.00 12.15 H new ATOM 0 HD3 LYS A 27 19.315 -6.870 -9.381 1.00 12.15 H new ATOM 0 HE2 LYS A 27 20.904 -5.775 -11.722 1.00 12.87 H new ATOM 0 HE3 LYS A 27 19.180 -6.084 -11.798 1.00 12.87 H new ATOM 0 HZ1 LYS A 27 19.102 -3.955 -11.128 1.00 13.47 H new ATOM 0 HZ2 LYS A 27 19.277 -4.636 -9.582 1.00 13.47 H new ATOM 0 HZ3 LYS A 27 20.628 -3.994 -10.384 1.00 13.47 H new ATOM 465 N THR A 28 24.696 -6.722 -8.199 1.00 9.28 N ATOM 466 CA THR A 28 25.991 -6.431 -8.793 1.00 9.35 C ATOM 467 C THR A 28 27.101 -7.005 -7.920 1.00 8.90 C ATOM 468 O THR A 28 28.165 -7.383 -8.410 1.00 9.29 O ATOM 469 CB THR A 28 26.213 -4.919 -8.966 1.00 9.07 C ATOM 470 OG1 THR A 28 26.122 -4.263 -7.695 1.00 9.27 O ATOM 471 CG2 THR A 28 25.182 -4.336 -9.914 1.00 8.30 C ATOM 0 H THR A 28 24.294 -5.956 -7.659 1.00 9.28 H new ATOM 0 HA THR A 28 26.012 -6.893 -9.780 1.00 9.35 H new ATOM 0 HB THR A 28 27.207 -4.761 -9.385 1.00 9.07 H new ATOM 0 HG1 THR A 28 25.181 -4.098 -7.479 1.00 9.27 H new ATOM 0 HG21 THR A 28 25.354 -3.265 -10.025 1.00 8.30 H new ATOM 0 HG22 THR A 28 25.268 -4.820 -10.887 1.00 8.30 H new ATOM 0 HG23 THR A 28 24.183 -4.503 -9.512 1.00 8.30 H new ATOM 479 N LEU A 29 26.825 -7.078 -6.621 1.00 8.24 N ATOM 480 CA LEU A 29 27.752 -7.651 -5.652 1.00 8.03 C ATOM 481 C LEU A 29 27.999 -9.115 -5.995 1.00 8.87 C ATOM 482 O LEU A 29 29.108 -9.627 -5.863 1.00 9.09 O ATOM 483 CB LEU A 29 27.155 -7.516 -4.240 1.00 7.48 C ATOM 484 CG LEU A 29 28.142 -7.511 -3.062 1.00 7.10 C ATOM 485 CD1 LEU A 29 28.785 -8.875 -2.870 1.00 6.93 C ATOM 486 CD2 LEU A 29 29.201 -6.438 -3.261 1.00 6.99 C ATOM 0 H LEU A 29 25.953 -6.742 -6.212 1.00 8.24 H new ATOM 0 HA LEU A 29 28.704 -7.121 -5.683 1.00 8.03 H new ATOM 0 HB2 LEU A 29 26.579 -6.591 -4.203 1.00 7.48 H new ATOM 0 HB3 LEU A 29 26.452 -8.336 -4.090 1.00 7.48 H new ATOM 0 HG LEU A 29 27.581 -7.282 -2.156 1.00 7.10 H new ATOM 0 HD11 LEU A 29 29.477 -8.836 -2.029 1.00 6.93 H new ATOM 0 HD12 LEU A 29 28.012 -9.617 -2.669 1.00 6.93 H new ATOM 0 HD13 LEU A 29 29.328 -9.152 -3.774 1.00 6.93 H new ATOM 0 HD21 LEU A 29 29.892 -6.448 -2.418 1.00 6.99 H new ATOM 0 HD22 LEU A 29 29.750 -6.635 -4.182 1.00 6.99 H new ATOM 0 HD23 LEU A 29 28.722 -5.461 -3.326 1.00 6.99 H new ATOM 498 N ARG A 30 26.951 -9.771 -6.471 1.00 9.50 N ATOM 499 CA ARG A 30 27.024 -11.182 -6.820 1.00 10.45 C ATOM 500 C ARG A 30 27.708 -11.361 -8.172 1.00 10.98 C ATOM 501 O ARG A 30 28.209 -12.438 -8.489 1.00 11.61 O ATOM 502 CB ARG A 30 25.622 -11.794 -6.845 1.00 11.14 C ATOM 503 CG ARG A 30 24.875 -11.636 -5.531 1.00 11.16 C ATOM 504 CD ARG A 30 23.473 -12.219 -5.605 1.00 11.94 C ATOM 505 NE ARG A 30 23.482 -13.678 -5.681 1.00 12.66 N ATOM 506 CZ ARG A 30 22.474 -14.409 -6.156 1.00 13.44 C ATOM 507 NH1 ARG A 30 21.377 -13.820 -6.611 1.00 13.60 N ATOM 508 NH2 ARG A 30 22.566 -15.731 -6.166 1.00 14.19 N ATOM 0 H ARG A 30 26.036 -9.347 -6.625 1.00 9.50 H new ATOM 0 HA ARG A 30 27.615 -11.698 -6.064 1.00 10.45 H new ATOM 0 HB2 ARG A 30 25.043 -11.328 -7.642 1.00 11.14 H new ATOM 0 HB3 ARG A 30 25.700 -12.854 -7.086 1.00 11.14 H new ATOM 0 HG2 ARG A 30 25.432 -12.129 -4.735 1.00 11.16 H new ATOM 0 HG3 ARG A 30 24.816 -10.579 -5.271 1.00 11.16 H new ATOM 0 HD2 ARG A 30 22.905 -11.907 -4.728 1.00 11.94 H new ATOM 0 HD3 ARG A 30 22.960 -11.815 -6.478 1.00 11.94 H new ATOM 0 HE ARG A 30 24.313 -14.168 -5.349 1.00 12.66 H new ATOM 0 HH11 ARG A 30 21.302 -12.803 -6.599 1.00 13.60 H new ATOM 0 HH12 ARG A 30 20.608 -14.384 -6.974 1.00 13.60 H new ATOM 0 HH21 ARG A 30 23.407 -16.186 -5.811 1.00 14.19 H new ATOM 0 HH22 ARG A 30 21.796 -16.293 -6.529 1.00 14.19 H new ATOM 522 N ALA A 31 27.719 -10.294 -8.963 1.00 10.87 N ATOM 523 CA ALA A 31 28.347 -10.314 -10.277 1.00 11.56 C ATOM 524 C ALA A 31 29.864 -10.243 -10.151 1.00 11.34 C ATOM 525 O ALA A 31 30.594 -10.851 -10.937 1.00 11.93 O ATOM 526 CB ALA A 31 27.827 -9.168 -11.131 1.00 11.84 C ATOM 0 H ALA A 31 27.297 -9.399 -8.714 1.00 10.87 H new ATOM 0 HA ALA A 31 28.090 -11.254 -10.766 1.00 11.56 H new ATOM 0 HB1 ALA A 31 28.306 -9.197 -12.110 1.00 11.84 H new ATOM 0 HB2 ALA A 31 26.748 -9.265 -11.252 1.00 11.84 H new ATOM 0 HB3 ALA A 31 28.054 -8.219 -10.644 1.00 11.84 H new ATOM 532 N GLU A 32 30.337 -9.482 -9.171 1.00 10.61 N ATOM 533 CA GLU A 32 31.761 -9.418 -8.874 1.00 10.60 C ATOM 534 C GLU A 32 32.138 -10.532 -7.897 1.00 10.54 C ATOM 535 O GLU A 32 31.474 -11.568 -7.863 1.00 10.89 O ATOM 536 CB GLU A 32 32.136 -8.043 -8.314 1.00 10.22 C ATOM 537 CG GLU A 32 31.399 -7.667 -7.041 1.00 9.56 C ATOM 538 CD GLU A 32 31.815 -6.307 -6.520 1.00 9.48 C ATOM 539 OE1 GLU A 32 31.227 -5.296 -6.950 1.00 9.47 O ATOM 540 OE2 GLU A 32 32.718 -6.243 -5.661 1.00 9.62 O ATOM 0 H GLU A 32 29.754 -8.901 -8.569 1.00 10.61 H new ATOM 0 HA GLU A 32 32.322 -9.563 -9.797 1.00 10.60 H new ATOM 0 HB2 GLU A 32 33.208 -8.023 -8.119 1.00 10.22 H new ATOM 0 HB3 GLU A 32 31.936 -7.287 -9.073 1.00 10.22 H new ATOM 0 HG2 GLU A 32 30.326 -7.669 -7.231 1.00 9.56 H new ATOM 0 HG3 GLU A 32 31.589 -8.421 -6.277 1.00 9.56 H new ATOM 547 N GLN A 33 33.202 -10.335 -7.121 1.00 10.31 N ATOM 548 CA GLN A 33 33.619 -11.329 -6.139 1.00 10.45 C ATOM 549 C GLN A 33 32.518 -11.590 -5.118 1.00 10.39 C ATOM 550 O GLN A 33 32.270 -10.786 -4.222 1.00 10.09 O ATOM 551 CB GLN A 33 34.903 -10.894 -5.440 1.00 10.44 C ATOM 552 CG GLN A 33 36.115 -10.919 -6.350 1.00 10.76 C ATOM 553 CD GLN A 33 36.435 -12.313 -6.854 1.00 11.12 C ATOM 554 OE1 GLN A 33 37.193 -13.054 -6.229 1.00 11.23 O ATOM 555 NE2 GLN A 33 35.860 -12.686 -7.988 1.00 11.52 N ATOM 0 H GLN A 33 33.787 -9.500 -7.154 1.00 10.31 H new ATOM 0 HA GLN A 33 33.814 -12.260 -6.671 1.00 10.45 H new ATOM 0 HB2 GLN A 33 34.772 -9.886 -5.048 1.00 10.44 H new ATOM 0 HB3 GLN A 33 35.084 -11.547 -4.586 1.00 10.44 H new ATOM 0 HG2 GLN A 33 35.940 -10.260 -7.200 1.00 10.76 H new ATOM 0 HG3 GLN A 33 36.977 -10.524 -5.812 1.00 10.76 H new ATOM 0 HE21 GLN A 33 35.237 -12.045 -8.479 1.00 11.52 H new ATOM 0 HE22 GLN A 33 36.040 -13.614 -8.370 1.00 11.52 H new ATOM 564 N ALA A 34 31.877 -12.730 -5.279 1.00 10.90 N ATOM 565 CA ALA A 34 30.737 -13.123 -4.457 1.00 11.19 C ATOM 566 C ALA A 34 31.161 -13.551 -3.054 1.00 11.09 C ATOM 567 O ALA A 34 30.332 -13.602 -2.144 1.00 11.27 O ATOM 568 CB ALA A 34 29.962 -14.239 -5.143 1.00 11.97 C ATOM 0 H ALA A 34 32.130 -13.419 -5.988 1.00 10.90 H new ATOM 0 HA ALA A 34 30.093 -12.251 -4.346 1.00 11.19 H new ATOM 0 HB1 ALA A 34 29.113 -14.527 -4.523 1.00 11.97 H new ATOM 0 HB2 ALA A 34 29.603 -13.891 -6.111 1.00 11.97 H new ATOM 0 HB3 ALA A 34 30.615 -15.100 -5.287 1.00 11.97 H new ATOM 574 N SER A 35 32.439 -13.893 -2.900 1.00 11.05 N ATOM 575 CA SER A 35 32.987 -14.332 -1.618 1.00 11.21 C ATOM 576 C SER A 35 32.606 -13.364 -0.493 1.00 10.64 C ATOM 577 O SER A 35 33.127 -12.248 -0.405 1.00 10.19 O ATOM 578 CB SER A 35 34.505 -14.452 -1.723 1.00 11.48 C ATOM 579 OG SER A 35 34.872 -15.222 -2.856 1.00 12.02 O ATOM 0 H SER A 35 33.122 -13.874 -3.658 1.00 11.05 H new ATOM 0 HA SER A 35 32.563 -15.307 -1.376 1.00 11.21 H new ATOM 0 HB2 SER A 35 34.949 -13.459 -1.793 1.00 11.48 H new ATOM 0 HB3 SER A 35 34.901 -14.915 -0.819 1.00 11.48 H new ATOM 0 HG SER A 35 35.849 -15.285 -2.906 1.00 12.02 H new ATOM 585 N GLN A 36 31.716 -13.820 0.377 1.00 10.85 N ATOM 586 CA GLN A 36 31.104 -12.980 1.399 1.00 10.51 C ATOM 587 C GLN A 36 32.085 -12.592 2.496 1.00 10.66 C ATOM 588 O GLN A 36 31.903 -11.573 3.155 1.00 10.26 O ATOM 589 CB GLN A 36 29.921 -13.704 2.027 1.00 11.11 C ATOM 590 CG GLN A 36 28.790 -13.989 1.058 1.00 11.25 C ATOM 591 CD GLN A 36 27.667 -14.765 1.707 1.00 11.80 C ATOM 592 OE1 GLN A 36 27.418 -14.634 2.907 1.00 12.14 O ATOM 593 NE2 GLN A 36 26.999 -15.597 0.931 1.00 12.09 N ATOM 0 H GLN A 36 31.396 -14.788 0.394 1.00 10.85 H new ATOM 0 HA GLN A 36 30.775 -12.067 0.904 1.00 10.51 H new ATOM 0 HB2 GLN A 36 30.268 -14.646 2.452 1.00 11.11 H new ATOM 0 HB3 GLN A 36 29.537 -13.104 2.852 1.00 11.11 H new ATOM 0 HG2 GLN A 36 28.402 -13.048 0.668 1.00 11.25 H new ATOM 0 HG3 GLN A 36 29.175 -14.552 0.208 1.00 11.25 H new ATOM 0 HE21 GLN A 36 27.237 -15.675 -0.058 1.00 12.09 H new ATOM 0 HE22 GLN A 36 26.244 -16.162 1.320 1.00 12.09 H new ATOM 602 N GLU A 37 33.111 -13.407 2.687 1.00 11.37 N ATOM 603 CA GLU A 37 34.088 -13.190 3.756 1.00 11.85 C ATOM 604 C GLU A 37 34.611 -11.750 3.784 1.00 11.40 C ATOM 605 O GLU A 37 34.692 -11.132 4.847 1.00 11.56 O ATOM 606 CB GLU A 37 35.247 -14.182 3.622 1.00 12.76 C ATOM 607 CG GLU A 37 35.844 -14.244 2.226 1.00 12.82 C ATOM 608 CD GLU A 37 37.007 -15.204 2.135 1.00 13.79 C ATOM 609 OE1 GLU A 37 36.771 -16.406 1.891 1.00 14.44 O ATOM 610 OE2 GLU A 37 38.162 -14.765 2.309 1.00 13.98 O ATOM 0 H GLU A 37 33.294 -14.231 2.114 1.00 11.37 H new ATOM 0 HA GLU A 37 33.577 -13.361 4.704 1.00 11.85 H new ATOM 0 HB2 GLU A 37 36.030 -13.909 4.330 1.00 12.76 H new ATOM 0 HB3 GLU A 37 34.897 -15.176 3.901 1.00 12.76 H new ATOM 0 HG2 GLU A 37 35.072 -14.545 1.518 1.00 12.82 H new ATOM 0 HG3 GLU A 37 36.175 -13.248 1.932 1.00 12.82 H new ATOM 617 N VAL A 38 34.953 -11.221 2.622 1.00 11.01 N ATOM 618 CA VAL A 38 35.412 -9.843 2.518 1.00 10.78 C ATOM 619 C VAL A 38 34.225 -8.899 2.351 1.00 9.91 C ATOM 620 O VAL A 38 34.199 -7.797 2.901 1.00 9.82 O ATOM 621 CB VAL A 38 36.385 -9.665 1.330 1.00 10.99 C ATOM 622 CG1 VAL A 38 36.858 -8.224 1.222 1.00 11.05 C ATOM 623 CG2 VAL A 38 37.571 -10.606 1.467 1.00 11.61 C ATOM 0 H VAL A 38 34.922 -11.724 1.735 1.00 11.01 H new ATOM 0 HA VAL A 38 35.942 -9.600 3.439 1.00 10.78 H new ATOM 0 HB VAL A 38 35.848 -9.913 0.414 1.00 10.99 H new ATOM 0 HG11 VAL A 38 37.541 -8.128 0.378 1.00 11.05 H new ATOM 0 HG12 VAL A 38 36.000 -7.570 1.071 1.00 11.05 H new ATOM 0 HG13 VAL A 38 37.373 -7.940 2.140 1.00 11.05 H new ATOM 0 HG21 VAL A 38 38.245 -10.467 0.622 1.00 11.61 H new ATOM 0 HG22 VAL A 38 38.102 -10.390 2.394 1.00 11.61 H new ATOM 0 HG23 VAL A 38 37.218 -11.637 1.483 1.00 11.61 H new ATOM 633 N LYS A 39 33.226 -9.368 1.621 1.00 9.40 N ATOM 634 CA LYS A 39 32.118 -8.525 1.201 1.00 8.62 C ATOM 635 C LYS A 39 31.189 -8.159 2.351 1.00 8.49 C ATOM 636 O LYS A 39 30.706 -7.035 2.414 1.00 8.00 O ATOM 637 CB LYS A 39 31.340 -9.214 0.085 1.00 8.48 C ATOM 638 CG LYS A 39 32.116 -9.296 -1.217 1.00 8.87 C ATOM 639 CD LYS A 39 32.289 -7.918 -1.835 1.00 8.96 C ATOM 640 CE LYS A 39 33.061 -7.974 -3.142 1.00 9.53 C ATOM 641 NZ LYS A 39 34.478 -8.371 -2.938 1.00 9.78 N ATOM 0 H LYS A 39 33.160 -10.336 1.305 1.00 9.40 H new ATOM 0 HA LYS A 39 32.541 -7.591 0.832 1.00 8.62 H new ATOM 0 HB2 LYS A 39 31.071 -10.221 0.405 1.00 8.48 H new ATOM 0 HB3 LYS A 39 30.408 -8.675 -0.087 1.00 8.48 H new ATOM 0 HG2 LYS A 39 33.094 -9.742 -1.034 1.00 8.87 H new ATOM 0 HG3 LYS A 39 31.593 -9.949 -1.916 1.00 8.87 H new ATOM 0 HD2 LYS A 39 31.309 -7.474 -2.011 1.00 8.96 H new ATOM 0 HD3 LYS A 39 32.812 -7.269 -1.133 1.00 8.96 H new ATOM 0 HE2 LYS A 39 32.580 -8.682 -3.816 1.00 9.53 H new ATOM 0 HE3 LYS A 39 33.025 -6.998 -3.626 1.00 9.53 H new ATOM 0 HZ1 LYS A 39 35.029 -8.139 -3.789 1.00 9.78 H new ATOM 0 HZ2 LYS A 39 34.868 -7.858 -2.122 1.00 9.78 H new ATOM 0 HZ3 LYS A 39 34.530 -9.394 -2.760 1.00 9.78 H new ATOM 655 N ASN A 40 30.937 -9.092 3.258 1.00 9.12 N ATOM 656 CA ASN A 40 30.034 -8.834 4.378 1.00 9.38 C ATOM 657 C ASN A 40 30.565 -7.703 5.246 1.00 9.55 C ATOM 658 O ASN A 40 29.839 -6.759 5.557 1.00 9.39 O ATOM 659 CB ASN A 40 29.829 -10.090 5.233 1.00 10.35 C ATOM 660 CG ASN A 40 28.964 -11.133 4.555 1.00 10.85 C ATOM 661 OD1 ASN A 40 28.103 -10.813 3.733 1.00 10.92 O ATOM 662 ND2 ASN A 40 29.181 -12.392 4.898 1.00 11.43 N ATOM 0 H ASN A 40 31.340 -10.029 3.244 1.00 9.12 H new ATOM 0 HA ASN A 40 29.071 -8.542 3.960 1.00 9.38 H new ATOM 0 HB2 ASN A 40 30.800 -10.527 5.466 1.00 10.35 H new ATOM 0 HB3 ASN A 40 29.371 -9.807 6.181 1.00 10.35 H new ATOM 0 HD21 ASN A 40 28.626 -13.138 4.478 1.00 11.43 H new ATOM 0 HD22 ASN A 40 29.903 -12.617 5.582 1.00 11.43 H new ATOM 669 N ALA A 41 31.842 -7.789 5.602 1.00 10.04 N ATOM 670 CA ALA A 41 32.480 -6.774 6.431 1.00 10.52 C ATOM 671 C ALA A 41 32.451 -5.413 5.749 1.00 9.85 C ATOM 672 O ALA A 41 32.376 -4.375 6.408 1.00 10.08 O ATOM 673 CB ALA A 41 33.913 -7.174 6.750 1.00 11.43 C ATOM 0 H ALA A 41 32.458 -8.555 5.328 1.00 10.04 H new ATOM 0 HA ALA A 41 31.920 -6.698 7.363 1.00 10.52 H new ATOM 0 HB1 ALA A 41 34.376 -6.406 7.370 1.00 11.43 H new ATOM 0 HB2 ALA A 41 33.915 -8.123 7.286 1.00 11.43 H new ATOM 0 HB3 ALA A 41 34.476 -7.280 5.823 1.00 11.43 H new ATOM 679 N ALA A 42 32.511 -5.419 4.427 1.00 9.19 N ATOM 680 CA ALA A 42 32.459 -4.185 3.665 1.00 8.71 C ATOM 681 C ALA A 42 31.029 -3.666 3.559 1.00 7.86 C ATOM 682 O ALA A 42 30.720 -2.585 4.054 1.00 7.82 O ATOM 683 CB ALA A 42 33.048 -4.400 2.280 1.00 8.58 C ATOM 0 H ALA A 42 32.596 -6.264 3.862 1.00 9.19 H new ATOM 0 HA ALA A 42 33.051 -3.435 4.189 1.00 8.71 H new ATOM 0 HB1 ALA A 42 33.004 -3.468 1.717 1.00 8.58 H new ATOM 0 HB2 ALA A 42 34.086 -4.720 2.372 1.00 8.58 H new ATOM 0 HB3 ALA A 42 32.477 -5.167 1.757 1.00 8.58 H new ATOM 689 N THR A 43 30.165 -4.471 2.949 1.00 7.35 N ATOM 690 CA THR A 43 28.794 -4.083 2.618 1.00 6.63 C ATOM 691 C THR A 43 28.029 -3.477 3.795 1.00 6.87 C ATOM 692 O THR A 43 27.263 -2.536 3.605 1.00 6.42 O ATOM 693 CB THR A 43 27.997 -5.284 2.068 1.00 6.60 C ATOM 694 OG1 THR A 43 28.138 -6.410 2.944 1.00 6.93 O ATOM 695 CG2 THR A 43 28.473 -5.662 0.671 1.00 6.92 C ATOM 0 H THR A 43 30.398 -5.423 2.666 1.00 7.35 H new ATOM 0 HA THR A 43 28.889 -3.311 1.855 1.00 6.63 H new ATOM 0 HB THR A 43 26.947 -4.995 2.011 1.00 6.60 H new ATOM 0 HG1 THR A 43 28.953 -6.903 2.714 1.00 6.93 H new ATOM 0 HG21 THR A 43 27.895 -6.511 0.307 1.00 6.92 H new ATOM 0 HG22 THR A 43 28.337 -4.815 -0.001 1.00 6.92 H new ATOM 0 HG23 THR A 43 29.529 -5.931 0.707 1.00 6.92 H new ATOM 703 N GLU A 44 28.232 -4.007 4.997 1.00 7.76 N ATOM 704 CA GLU A 44 27.520 -3.517 6.177 1.00 8.32 C ATOM 705 C GLU A 44 27.651 -2.002 6.326 1.00 8.48 C ATOM 706 O GLU A 44 26.650 -1.283 6.341 1.00 8.35 O ATOM 707 CB GLU A 44 28.022 -4.217 7.436 1.00 9.53 C ATOM 708 CG GLU A 44 27.596 -5.671 7.532 1.00 10.03 C ATOM 709 CD GLU A 44 26.091 -5.835 7.488 1.00 11.07 C ATOM 710 OE1 GLU A 44 25.441 -5.692 8.545 1.00 11.69 O ATOM 711 OE2 GLU A 44 25.547 -6.121 6.401 1.00 11.42 O ATOM 0 H GLU A 44 28.880 -4.773 5.182 1.00 7.76 H new ATOM 0 HA GLU A 44 26.464 -3.749 6.041 1.00 8.32 H new ATOM 0 HB2 GLU A 44 29.110 -4.163 7.462 1.00 9.53 H new ATOM 0 HB3 GLU A 44 27.655 -3.681 8.311 1.00 9.53 H new ATOM 0 HG2 GLU A 44 28.044 -6.233 6.713 1.00 10.03 H new ATOM 0 HG3 GLU A 44 27.979 -6.099 8.459 1.00 10.03 H new ATOM 718 N THR A 45 28.880 -1.516 6.418 1.00 8.95 N ATOM 719 CA THR A 45 29.122 -0.084 6.543 1.00 9.49 C ATOM 720 C THR A 45 29.145 0.610 5.180 1.00 8.79 C ATOM 721 O THR A 45 28.788 1.778 5.060 1.00 9.04 O ATOM 722 CB THR A 45 30.441 0.189 7.286 1.00 10.61 C ATOM 723 OG1 THR A 45 31.412 -0.806 6.934 1.00 11.34 O ATOM 724 CG2 THR A 45 30.225 0.190 8.791 1.00 11.01 C ATOM 0 H THR A 45 29.724 -2.089 6.409 1.00 8.95 H new ATOM 0 HA THR A 45 28.295 0.327 7.121 1.00 9.49 H new ATOM 0 HB THR A 45 30.805 1.173 6.991 1.00 10.61 H new ATOM 0 HG1 THR A 45 32.251 -0.627 7.408 1.00 11.34 H new ATOM 0 HG21 THR A 45 31.172 0.385 9.294 1.00 11.01 H new ATOM 0 HG22 THR A 45 29.507 0.966 9.055 1.00 11.01 H new ATOM 0 HG23 THR A 45 29.841 -0.781 9.104 1.00 11.01 H new ATOM 732 N LEU A 46 29.546 -0.122 4.155 1.00 8.07 N ATOM 733 CA LEU A 46 29.687 0.436 2.817 1.00 7.71 C ATOM 734 C LEU A 46 28.320 0.816 2.239 1.00 6.77 C ATOM 735 O LEU A 46 28.192 1.828 1.556 1.00 6.93 O ATOM 736 CB LEU A 46 30.429 -0.575 1.924 1.00 7.55 C ATOM 737 CG LEU A 46 30.922 -0.083 0.556 1.00 7.70 C ATOM 738 CD1 LEU A 46 29.826 -0.203 -0.485 1.00 7.76 C ATOM 739 CD2 LEU A 46 31.429 1.351 0.641 1.00 8.22 C ATOM 0 H LEU A 46 29.782 -1.112 4.223 1.00 8.07 H new ATOM 0 HA LEU A 46 30.274 1.353 2.862 1.00 7.71 H new ATOM 0 HB2 LEU A 46 31.291 -0.945 2.479 1.00 7.55 H new ATOM 0 HB3 LEU A 46 29.768 -1.426 1.757 1.00 7.55 H new ATOM 0 HG LEU A 46 31.754 -0.717 0.251 1.00 7.70 H new ATOM 0 HD11 LEU A 46 30.197 0.151 -1.447 1.00 7.76 H new ATOM 0 HD12 LEU A 46 29.522 -1.246 -0.575 1.00 7.76 H new ATOM 0 HD13 LEU A 46 28.969 0.399 -0.183 1.00 7.76 H new ATOM 0 HD21 LEU A 46 31.772 1.674 -0.342 1.00 8.22 H new ATOM 0 HD22 LEU A 46 30.622 2.003 0.976 1.00 8.22 H new ATOM 0 HD23 LEU A 46 32.256 1.403 1.349 1.00 8.22 H new ATOM 751 N LEU A 47 27.295 0.026 2.547 1.00 5.99 N ATOM 752 CA LEU A 47 25.953 0.278 2.025 1.00 5.15 C ATOM 753 C LEU A 47 25.382 1.585 2.571 1.00 5.48 C ATOM 754 O LEU A 47 24.820 2.383 1.822 1.00 5.21 O ATOM 755 CB LEU A 47 25.015 -0.886 2.365 1.00 4.73 C ATOM 756 CG LEU A 47 23.596 -0.774 1.797 1.00 4.22 C ATOM 757 CD1 LEU A 47 23.628 -0.750 0.273 1.00 4.20 C ATOM 758 CD2 LEU A 47 22.732 -1.923 2.294 1.00 4.34 C ATOM 0 H LEU A 47 27.366 -0.791 3.153 1.00 5.99 H new ATOM 0 HA LEU A 47 26.031 0.366 0.941 1.00 5.15 H new ATOM 0 HB2 LEU A 47 25.463 -1.810 1.999 1.00 4.73 H new ATOM 0 HB3 LEU A 47 24.948 -0.972 3.450 1.00 4.73 H new ATOM 0 HG LEU A 47 23.160 0.162 2.145 1.00 4.22 H new ATOM 0 HD11 LEU A 47 22.611 -0.670 -0.111 1.00 4.20 H new ATOM 0 HD12 LEU A 47 24.212 0.106 -0.065 1.00 4.20 H new ATOM 0 HD13 LEU A 47 24.084 -1.669 -0.096 1.00 4.20 H new ATOM 0 HD21 LEU A 47 21.728 -1.828 1.881 1.00 4.34 H new ATOM 0 HD22 LEU A 47 23.167 -2.870 1.975 1.00 4.34 H new ATOM 0 HD23 LEU A 47 22.681 -1.895 3.382 1.00 4.34 H new ATOM 770 N VAL A 48 25.540 1.809 3.875 1.00 6.32 N ATOM 771 CA VAL A 48 25.013 3.019 4.498 1.00 6.92 C ATOM 772 C VAL A 48 25.820 4.242 4.074 1.00 7.62 C ATOM 773 O VAL A 48 25.298 5.355 4.018 1.00 7.93 O ATOM 774 CB VAL A 48 24.980 2.923 6.040 1.00 7.91 C ATOM 775 CG1 VAL A 48 24.070 1.789 6.482 1.00 7.84 C ATOM 776 CG2 VAL A 48 26.375 2.743 6.623 1.00 8.67 C ATOM 0 H VAL A 48 26.023 1.176 4.513 1.00 6.32 H new ATOM 0 HA VAL A 48 23.985 3.125 4.151 1.00 6.92 H new ATOM 0 HB VAL A 48 24.583 3.864 6.420 1.00 7.91 H new ATOM 0 HG11 VAL A 48 24.058 1.735 7.571 1.00 7.84 H new ATOM 0 HG12 VAL A 48 23.059 1.970 6.117 1.00 7.84 H new ATOM 0 HG13 VAL A 48 24.439 0.847 6.076 1.00 7.84 H new ATOM 0 HG21 VAL A 48 26.310 2.680 7.709 1.00 8.67 H new ATOM 0 HG22 VAL A 48 26.817 1.827 6.232 1.00 8.67 H new ATOM 0 HG23 VAL A 48 26.998 3.594 6.346 1.00 8.67 H new ATOM 786 N GLN A 49 27.090 4.024 3.764 1.00 8.03 N ATOM 787 CA GLN A 49 27.945 5.083 3.243 1.00 8.97 C ATOM 788 C GLN A 49 27.545 5.445 1.816 1.00 8.65 C ATOM 789 O GLN A 49 27.835 6.541 1.334 1.00 9.36 O ATOM 790 CB GLN A 49 29.414 4.660 3.285 1.00 9.65 C ATOM 791 CG GLN A 49 29.985 4.587 4.695 1.00 10.72 C ATOM 792 CD GLN A 49 31.446 4.173 4.720 1.00 11.48 C ATOM 793 OE1 GLN A 49 31.855 3.365 3.757 1.00 11.55 O flip ATOM 794 NE2 GLN A 49 32.201 4.579 5.604 1.00 12.22 N flip ATOM 0 H GLN A 49 27.553 3.121 3.864 1.00 8.03 H new ATOM 0 HA GLN A 49 27.817 5.962 3.875 1.00 8.97 H new ATOM 0 HB2 GLN A 49 29.517 3.685 2.809 1.00 9.65 H new ATOM 0 HB3 GLN A 49 30.004 5.365 2.699 1.00 9.65 H new ATOM 0 HG2 GLN A 49 29.880 5.560 5.175 1.00 10.72 H new ATOM 0 HG3 GLN A 49 29.401 3.878 5.282 1.00 10.72 H new ATOM 0 HE21 GLN A 49 31.847 5.202 6.330 1.00 12.22 H new ATOM 0 HE22 GLN A 49 33.180 4.293 5.610 1.00 12.22 H new ATOM 803 N ASN A 50 26.865 4.522 1.151 1.00 7.73 N ATOM 804 CA ASN A 50 26.411 4.737 -0.218 1.00 7.72 C ATOM 805 C ASN A 50 24.972 5.228 -0.254 1.00 7.17 C ATOM 806 O ASN A 50 24.298 5.110 -1.274 1.00 7.27 O ATOM 807 CB ASN A 50 26.535 3.452 -1.046 1.00 7.34 C ATOM 808 CG ASN A 50 27.955 3.169 -1.500 1.00 7.66 C ATOM 809 OD1 ASN A 50 28.923 3.574 -0.855 1.00 8.30 O ATOM 810 ND2 ASN A 50 28.085 2.470 -2.617 1.00 7.49 N ATOM 0 H ASN A 50 26.614 3.612 1.538 1.00 7.73 H new ATOM 0 HA ASN A 50 27.052 5.504 -0.652 1.00 7.72 H new ATOM 0 HB2 ASN A 50 26.175 2.610 -0.455 1.00 7.34 H new ATOM 0 HB3 ASN A 50 25.889 3.527 -1.921 1.00 7.34 H new ATOM 0 HD21 ASN A 50 29.014 2.248 -2.974 1.00 7.49 H new ATOM 0 HD22 ASN A 50 27.256 2.154 -3.120 1.00 7.49 H new ATOM 817 N ALA A 51 24.486 5.779 0.848 1.00 6.83 N ATOM 818 CA ALA A 51 23.140 6.319 0.864 1.00 6.42 C ATOM 819 C ALA A 51 23.175 7.808 0.543 1.00 7.39 C ATOM 820 O ALA A 51 24.243 8.368 0.299 1.00 8.36 O ATOM 821 CB ALA A 51 22.467 6.060 2.205 1.00 5.86 C ATOM 0 H ALA A 51 24.995 5.862 1.728 1.00 6.83 H new ATOM 0 HA ALA A 51 22.549 5.814 0.099 1.00 6.42 H new ATOM 0 HB1 ALA A 51 21.459 6.474 2.192 1.00 5.86 H new ATOM 0 HB2 ALA A 51 22.416 4.986 2.385 1.00 5.86 H new ATOM 0 HB3 ALA A 51 23.044 6.534 2.999 1.00 5.86 H new ATOM 827 N ASN A 52 22.017 8.446 0.532 1.00 7.23 N ATOM 828 CA ASN A 52 21.940 9.879 0.273 1.00 8.14 C ATOM 829 C ASN A 52 22.384 10.646 1.510 1.00 8.57 C ATOM 830 O ASN A 52 22.075 10.224 2.618 1.00 8.09 O ATOM 831 CB ASN A 52 20.510 10.277 -0.118 1.00 7.94 C ATOM 832 CG ASN A 52 20.307 11.782 -0.173 1.00 8.81 C ATOM 833 OD1 ASN A 52 19.936 12.408 0.822 1.00 9.40 O ATOM 834 ND2 ASN A 52 20.557 12.378 -1.327 1.00 9.07 N ATOM 0 H ASN A 52 21.116 7.997 0.699 1.00 7.23 H new ATOM 0 HA ASN A 52 22.602 10.126 -0.557 1.00 8.14 H new ATOM 0 HB2 ASN A 52 20.273 9.848 -1.092 1.00 7.94 H new ATOM 0 HB3 ASN A 52 19.810 9.847 0.599 1.00 7.94 H new ATOM 0 HD21 ASN A 52 20.444 13.388 -1.414 1.00 9.07 H new ATOM 0 HD22 ASN A 52 20.862 11.828 -2.130 1.00 9.07 H new ATOM 841 N PRO A 53 23.146 11.745 1.345 1.00 9.68 N ATOM 842 CA PRO A 53 23.637 12.560 2.464 1.00 10.41 C ATOM 843 C PRO A 53 22.610 12.724 3.587 1.00 10.13 C ATOM 844 O PRO A 53 22.891 12.411 4.747 1.00 10.29 O ATOM 845 CB PRO A 53 23.923 13.900 1.796 1.00 11.56 C ATOM 846 CG PRO A 53 24.344 13.546 0.410 1.00 11.66 C ATOM 847 CD PRO A 53 23.615 12.274 0.047 1.00 10.51 C ATOM 0 HA PRO A 53 24.498 12.106 2.955 1.00 10.41 H new ATOM 0 HB2 PRO A 53 23.039 14.537 1.791 1.00 11.56 H new ATOM 0 HB3 PRO A 53 24.707 14.446 2.321 1.00 11.56 H new ATOM 0 HG2 PRO A 53 24.095 14.347 -0.286 1.00 11.66 H new ATOM 0 HG3 PRO A 53 25.423 13.402 0.358 1.00 11.66 H new ATOM 0 HD2 PRO A 53 22.782 12.471 -0.628 1.00 10.51 H new ATOM 0 HD3 PRO A 53 24.274 11.567 -0.457 1.00 10.51 H new ATOM 855 N ASP A 54 21.409 13.168 3.233 1.00 9.86 N ATOM 856 CA ASP A 54 20.359 13.422 4.218 1.00 9.76 C ATOM 857 C ASP A 54 19.862 12.111 4.816 1.00 8.93 C ATOM 858 O ASP A 54 19.599 12.014 6.015 1.00 9.26 O ATOM 859 CB ASP A 54 19.189 14.160 3.571 1.00 9.71 C ATOM 860 CG ASP A 54 18.369 14.946 4.576 1.00 9.98 C ATOM 861 OD1 ASP A 54 18.544 16.175 4.674 1.00 10.64 O ATOM 862 OD2 ASP A 54 17.538 14.328 5.274 1.00 9.67 O ATOM 0 H ASP A 54 21.136 13.360 2.269 1.00 9.86 H new ATOM 0 HA ASP A 54 20.779 14.041 5.011 1.00 9.76 H new ATOM 0 HB2 ASP A 54 19.570 14.839 2.808 1.00 9.71 H new ATOM 0 HB3 ASP A 54 18.545 13.440 3.065 1.00 9.71 H new ATOM 867 N CYS A 55 19.753 11.104 3.965 1.00 8.04 N ATOM 868 CA CYS A 55 19.310 9.780 4.383 1.00 7.30 C ATOM 869 C CYS A 55 20.306 9.158 5.361 1.00 7.57 C ATOM 870 O CYS A 55 19.916 8.595 6.370 1.00 7.74 O ATOM 871 CB CYS A 55 19.114 8.874 3.168 1.00 6.46 C ATOM 872 SG CYS A 55 17.903 9.493 1.976 1.00 6.30 S ATOM 0 H CYS A 55 19.967 11.178 2.970 1.00 8.04 H new ATOM 0 HA CYS A 55 18.353 9.886 4.894 1.00 7.30 H new ATOM 0 HB2 CYS A 55 20.072 8.747 2.664 1.00 6.46 H new ATOM 0 HB3 CYS A 55 18.800 7.888 3.510 1.00 6.46 H new ATOM 0 HG CYS A 55 17.635 8.564 1.107 1.00 6.30 H new ATOM 878 N LYS A 56 21.594 9.276 5.064 1.00 7.87 N ATOM 879 CA LYS A 56 22.635 8.802 5.976 1.00 8.36 C ATOM 880 C LYS A 56 22.529 9.547 7.293 1.00 9.50 C ATOM 881 O LYS A 56 22.697 8.975 8.368 1.00 10.04 O ATOM 882 CB LYS A 56 24.017 9.036 5.373 1.00 8.58 C ATOM 883 CG LYS A 56 24.223 8.358 4.041 1.00 8.84 C ATOM 884 CD LYS A 56 25.241 9.094 3.190 1.00 8.68 C ATOM 885 CE LYS A 56 26.656 8.992 3.747 1.00 9.50 C ATOM 886 NZ LYS A 56 26.930 9.991 4.815 1.00 9.81 N ATOM 0 H LYS A 56 21.945 9.694 4.202 1.00 7.87 H new ATOM 0 HA LYS A 56 22.498 7.733 6.142 1.00 8.36 H new ATOM 0 HB2 LYS A 56 24.174 10.108 5.253 1.00 8.58 H new ATOM 0 HB3 LYS A 56 24.773 8.680 6.072 1.00 8.58 H new ATOM 0 HG2 LYS A 56 24.556 7.333 4.202 1.00 8.84 H new ATOM 0 HG3 LYS A 56 23.273 8.305 3.509 1.00 8.84 H new ATOM 0 HD2 LYS A 56 25.223 8.689 2.178 1.00 8.68 H new ATOM 0 HD3 LYS A 56 24.958 10.144 3.119 1.00 8.68 H new ATOM 0 HE2 LYS A 56 26.813 7.989 4.145 1.00 9.50 H new ATOM 0 HE3 LYS A 56 27.371 9.129 2.936 1.00 9.50 H new ATOM 0 HZ1 LYS A 56 27.932 10.266 4.784 1.00 9.81 H new ATOM 0 HZ2 LYS A 56 26.335 10.831 4.665 1.00 9.81 H new ATOM 0 HZ3 LYS A 56 26.714 9.575 5.743 1.00 9.81 H new ATOM 900 N THR A 57 22.230 10.834 7.173 1.00 9.98 N ATOM 901 CA THR A 57 22.049 11.717 8.316 1.00 11.08 C ATOM 902 C THR A 57 20.994 11.178 9.293 1.00 11.16 C ATOM 903 O THR A 57 21.175 11.236 10.510 1.00 12.08 O ATOM 904 CB THR A 57 21.646 13.126 7.831 1.00 11.53 C ATOM 905 OG1 THR A 57 22.696 13.687 7.029 1.00 12.00 O ATOM 906 CG2 THR A 57 21.340 14.052 8.989 1.00 12.46 C ATOM 0 H THR A 57 22.106 11.297 6.273 1.00 9.98 H new ATOM 0 HA THR A 57 22.998 11.769 8.850 1.00 11.08 H new ATOM 0 HB THR A 57 20.740 13.023 7.234 1.00 11.53 H new ATOM 0 HG1 THR A 57 22.675 13.286 6.135 1.00 12.00 H new ATOM 0 HG21 THR A 57 21.061 15.033 8.606 1.00 12.46 H new ATOM 0 HG22 THR A 57 20.516 13.643 9.574 1.00 12.46 H new ATOM 0 HG23 THR A 57 22.222 14.147 9.622 1.00 12.46 H new ATOM 914 N ILE A 58 19.898 10.654 8.761 1.00 10.34 N ATOM 915 CA ILE A 58 18.845 10.100 9.603 1.00 10.60 C ATOM 916 C ILE A 58 19.124 8.638 9.948 1.00 10.65 C ATOM 917 O ILE A 58 18.840 8.193 11.058 1.00 11.46 O ATOM 918 CB ILE A 58 17.457 10.214 8.942 1.00 9.96 C ATOM 919 CG1 ILE A 58 17.459 9.517 7.585 1.00 8.86 C ATOM 920 CG2 ILE A 58 17.065 11.676 8.791 1.00 10.22 C ATOM 921 CD1 ILE A 58 16.102 9.429 6.935 1.00 8.44 C ATOM 0 H ILE A 58 19.715 10.601 7.759 1.00 10.34 H new ATOM 0 HA ILE A 58 18.840 10.690 10.519 1.00 10.60 H new ATOM 0 HB ILE A 58 16.723 9.723 9.581 1.00 9.96 H new ATOM 0 HG12 ILE A 58 18.136 10.049 6.917 1.00 8.86 H new ATOM 0 HG13 ILE A 58 17.857 8.510 7.707 1.00 8.86 H new ATOM 0 HG21 ILE A 58 16.083 11.743 8.323 1.00 10.22 H new ATOM 0 HG22 ILE A 58 17.032 12.147 9.773 1.00 10.22 H new ATOM 0 HG23 ILE A 58 17.799 12.187 8.168 1.00 10.22 H new ATOM 0 HD11 ILE A 58 16.191 8.920 5.975 1.00 8.44 H new ATOM 0 HD12 ILE A 58 15.425 8.870 7.581 1.00 8.44 H new ATOM 0 HD13 ILE A 58 15.708 10.433 6.778 1.00 8.44 H new ATOM 933 N LEU A 59 19.694 7.900 8.996 1.00 9.90 N ATOM 934 CA LEU A 59 20.016 6.486 9.199 1.00 9.98 C ATOM 935 C LEU A 59 20.902 6.279 10.416 1.00 11.20 C ATOM 936 O LEU A 59 20.712 5.335 11.171 1.00 11.84 O ATOM 937 CB LEU A 59 20.707 5.891 7.971 1.00 9.07 C ATOM 938 CG LEU A 59 19.829 5.719 6.734 1.00 7.91 C ATOM 939 CD1 LEU A 59 20.625 5.073 5.612 1.00 7.28 C ATOM 940 CD2 LEU A 59 18.597 4.892 7.063 1.00 7.92 C ATOM 0 H LEU A 59 19.943 8.258 8.074 1.00 9.90 H new ATOM 0 HA LEU A 59 19.068 5.974 9.363 1.00 9.98 H new ATOM 0 HB2 LEU A 59 21.552 6.528 7.708 1.00 9.07 H new ATOM 0 HB3 LEU A 59 21.114 4.917 8.243 1.00 9.07 H new ATOM 0 HG LEU A 59 19.498 6.703 6.403 1.00 7.91 H new ATOM 0 HD11 LEU A 59 19.988 4.955 4.735 1.00 7.28 H new ATOM 0 HD12 LEU A 59 21.477 5.705 5.360 1.00 7.28 H new ATOM 0 HD13 LEU A 59 20.982 4.095 5.935 1.00 7.28 H new ATOM 0 HD21 LEU A 59 17.984 4.781 6.169 1.00 7.92 H new ATOM 0 HD22 LEU A 59 18.903 3.908 7.418 1.00 7.92 H new ATOM 0 HD23 LEU A 59 18.019 5.393 7.839 1.00 7.92 H new ATOM 952 N LYS A 60 21.871 7.159 10.605 1.00 11.67 N ATOM 953 CA LYS A 60 22.777 7.042 11.738 1.00 12.90 C ATOM 954 C LYS A 60 22.083 7.431 13.041 1.00 13.86 C ATOM 955 O LYS A 60 22.532 7.070 14.128 1.00 14.91 O ATOM 956 CB LYS A 60 24.030 7.890 11.505 1.00 13.23 C ATOM 957 CG LYS A 60 23.751 9.375 11.342 1.00 13.20 C ATOM 958 CD LYS A 60 24.877 10.067 10.593 1.00 13.44 C ATOM 959 CE LYS A 60 26.209 9.923 11.313 1.00 14.35 C ATOM 960 NZ LYS A 60 27.342 10.401 10.478 1.00 14.91 N ATOM 0 H LYS A 60 22.051 7.956 9.995 1.00 11.67 H new ATOM 0 HA LYS A 60 23.080 5.999 11.829 1.00 12.90 H new ATOM 0 HB2 LYS A 60 24.712 7.749 12.343 1.00 13.23 H new ATOM 0 HB3 LYS A 60 24.541 7.527 10.613 1.00 13.23 H new ATOM 0 HG2 LYS A 60 22.813 9.515 10.804 1.00 13.20 H new ATOM 0 HG3 LYS A 60 23.627 9.834 12.323 1.00 13.20 H new ATOM 0 HD2 LYS A 60 24.959 9.646 9.591 1.00 13.44 H new ATOM 0 HD3 LYS A 60 24.640 11.124 10.477 1.00 13.44 H new ATOM 0 HE2 LYS A 60 26.181 10.487 12.245 1.00 14.35 H new ATOM 0 HE3 LYS A 60 26.368 8.878 11.578 1.00 14.35 H new ATOM 0 HZ1 LYS A 60 28.233 10.287 11.003 1.00 14.91 H new ATOM 0 HZ2 LYS A 60 27.384 9.846 9.600 1.00 14.91 H new ATOM 0 HZ3 LYS A 60 27.203 11.405 10.247 1.00 14.91 H new ATOM 974 N ALA A 61 20.980 8.155 12.926 1.00 13.54 N ATOM 975 CA ALA A 61 20.218 8.574 14.092 1.00 14.41 C ATOM 976 C ALA A 61 19.290 7.461 14.566 1.00 14.65 C ATOM 977 O ALA A 61 19.176 7.205 15.765 1.00 15.64 O ATOM 978 CB ALA A 61 19.421 9.832 13.782 1.00 14.06 C ATOM 0 H ALA A 61 20.592 8.465 12.035 1.00 13.54 H new ATOM 0 HA ALA A 61 20.922 8.795 14.895 1.00 14.41 H new ATOM 0 HB1 ALA A 61 18.857 10.132 14.665 1.00 14.06 H new ATOM 0 HB2 ALA A 61 20.103 10.634 13.497 1.00 14.06 H new ATOM 0 HB3 ALA A 61 18.732 9.633 12.961 1.00 14.06 H new ATOM 984 N LEU A 62 18.647 6.782 13.624 1.00 13.84 N ATOM 985 CA LEU A 62 17.668 5.752 13.964 1.00 14.21 C ATOM 986 C LEU A 62 18.263 4.351 13.885 1.00 14.97 C ATOM 987 O LEU A 62 17.661 3.394 14.365 1.00 15.72 O ATOM 988 CB LEU A 62 16.423 5.867 13.068 1.00 13.37 C ATOM 989 CG LEU A 62 16.670 6.123 11.573 1.00 12.15 C ATOM 990 CD1 LEU A 62 16.994 4.835 10.832 1.00 11.39 C ATOM 991 CD2 LEU A 62 15.464 6.808 10.949 1.00 12.25 C ATOM 0 H LEU A 62 18.783 6.923 12.623 1.00 13.84 H new ATOM 0 HA LEU A 62 17.368 5.918 14.999 1.00 14.21 H new ATOM 0 HB2 LEU A 62 15.848 4.946 13.165 1.00 13.37 H new ATOM 0 HB3 LEU A 62 15.800 6.674 13.453 1.00 13.37 H new ATOM 0 HG LEU A 62 17.535 6.781 11.485 1.00 12.15 H new ATOM 0 HD11 LEU A 62 17.163 5.054 9.778 1.00 11.39 H new ATOM 0 HD12 LEU A 62 17.892 4.386 11.257 1.00 11.39 H new ATOM 0 HD13 LEU A 62 16.160 4.140 10.929 1.00 11.39 H new ATOM 0 HD21 LEU A 62 15.653 6.983 9.890 1.00 12.25 H new ATOM 0 HD22 LEU A 62 14.586 6.172 11.061 1.00 12.25 H new ATOM 0 HD23 LEU A 62 15.288 7.761 11.449 1.00 12.25 H new ATOM 1003 N GLY A 63 19.456 4.258 13.305 1.00 14.89 N ATOM 1004 CA GLY A 63 20.138 2.979 13.103 1.00 15.66 C ATOM 1005 C GLY A 63 20.065 2.022 14.288 1.00 16.04 C ATOM 1006 O GLY A 63 19.649 0.880 14.111 1.00 16.17 O ATOM 0 H GLY A 63 19.978 5.064 12.962 1.00 14.89 H new ATOM 0 HA2 GLY A 63 19.708 2.488 12.230 1.00 15.66 H new ATOM 0 HA3 GLY A 63 21.186 3.174 12.875 1.00 15.66 H new ATOM 1010 N PRO A 64 20.477 2.449 15.501 1.00 16.36 N ATOM 1011 CA PRO A 64 20.442 1.616 16.710 1.00 16.89 C ATOM 1012 C PRO A 64 19.158 0.792 16.859 1.00 16.41 C ATOM 1013 O PRO A 64 19.214 -0.413 17.121 1.00 16.65 O ATOM 1014 CB PRO A 64 20.544 2.632 17.859 1.00 17.44 C ATOM 1015 CG PRO A 64 20.605 3.985 17.221 1.00 16.99 C ATOM 1016 CD PRO A 64 21.044 3.765 15.803 1.00 16.40 C ATOM 0 HA PRO A 64 21.242 0.876 16.687 1.00 16.89 H new ATOM 0 HB2 PRO A 64 19.684 2.554 18.524 1.00 17.44 H new ATOM 0 HB3 PRO A 64 21.432 2.447 18.464 1.00 17.44 H new ATOM 0 HG2 PRO A 64 19.632 4.475 17.255 1.00 16.99 H new ATOM 0 HG3 PRO A 64 21.306 4.632 17.749 1.00 16.99 H new ATOM 0 HD2 PRO A 64 20.661 4.536 15.134 1.00 16.40 H new ATOM 0 HD3 PRO A 64 22.130 3.771 15.708 1.00 16.40 H new ATOM 1024 N GLY A 65 18.011 1.435 16.682 1.00 15.83 N ATOM 1025 CA GLY A 65 16.746 0.752 16.872 1.00 15.53 C ATOM 1026 C GLY A 65 16.109 0.313 15.567 1.00 14.59 C ATOM 1027 O GLY A 65 15.175 -0.488 15.563 1.00 14.42 O ATOM 0 H GLY A 65 17.934 2.415 16.411 1.00 15.83 H new ATOM 0 HA2 GLY A 65 16.902 -0.121 17.506 1.00 15.53 H new ATOM 0 HA3 GLY A 65 16.059 1.412 17.402 1.00 15.53 H new ATOM 1031 N ALA A 66 16.612 0.828 14.459 1.00 14.15 N ATOM 1032 CA ALA A 66 16.029 0.536 13.156 1.00 13.39 C ATOM 1033 C ALA A 66 16.720 -0.640 12.483 1.00 13.11 C ATOM 1034 O ALA A 66 17.935 -0.634 12.274 1.00 12.58 O ATOM 1035 CB ALA A 66 16.089 1.761 12.260 1.00 12.24 C ATOM 0 H ALA A 66 17.421 1.449 14.432 1.00 14.15 H new ATOM 0 HA ALA A 66 14.986 0.263 13.317 1.00 13.39 H new ATOM 0 HB1 ALA A 66 15.649 1.525 11.291 1.00 12.24 H new ATOM 0 HB2 ALA A 66 15.533 2.577 12.722 1.00 12.24 H new ATOM 0 HB3 ALA A 66 17.128 2.061 12.124 1.00 12.24 H new ATOM 1041 N THR A 67 15.935 -1.649 12.141 1.00 13.60 N ATOM 1042 CA THR A 67 16.442 -2.808 11.433 1.00 13.52 C ATOM 1043 C THR A 67 16.556 -2.511 9.939 1.00 12.33 C ATOM 1044 O THR A 67 16.268 -1.391 9.504 1.00 11.64 O ATOM 1045 CB THR A 67 15.533 -4.030 11.656 1.00 14.67 C ATOM 1046 OG1 THR A 67 14.178 -3.694 11.334 1.00 15.33 O ATOM 1047 CG2 THR A 67 15.613 -4.510 13.098 1.00 15.45 C ATOM 0 H THR A 67 14.936 -1.686 12.345 1.00 13.60 H new ATOM 0 HA THR A 67 17.432 -3.037 11.827 1.00 13.52 H new ATOM 0 HB THR A 67 15.874 -4.834 11.004 1.00 14.67 H new ATOM 0 HG1 THR A 67 13.604 -4.476 11.476 1.00 15.33 H new ATOM 0 HG21 THR A 67 14.962 -5.374 13.230 1.00 15.45 H new ATOM 0 HG22 THR A 67 16.640 -4.790 13.332 1.00 15.45 H new ATOM 0 HG23 THR A 67 15.294 -3.710 13.766 1.00 15.45 H new ATOM 1055 N LEU A 68 16.960 -3.506 9.158 1.00 12.22 N ATOM 1056 CA LEU A 68 17.174 -3.328 7.723 1.00 11.25 C ATOM 1057 C LEU A 68 15.898 -2.811 7.049 1.00 11.10 C ATOM 1058 O LEU A 68 15.944 -1.899 6.224 1.00 10.12 O ATOM 1059 CB LEU A 68 17.623 -4.662 7.098 1.00 11.69 C ATOM 1060 CG LEU A 68 18.388 -4.585 5.763 1.00 10.84 C ATOM 1061 CD1 LEU A 68 17.481 -4.155 4.620 1.00 10.70 C ATOM 1062 CD2 LEU A 68 19.580 -3.645 5.877 1.00 9.79 C ATOM 0 H LEU A 68 17.147 -4.450 9.495 1.00 12.22 H new ATOM 0 HA LEU A 68 17.957 -2.586 7.568 1.00 11.25 H new ATOM 0 HB2 LEU A 68 18.254 -5.180 7.821 1.00 11.69 H new ATOM 0 HB3 LEU A 68 16.738 -5.280 6.947 1.00 11.69 H new ATOM 0 HG LEU A 68 18.753 -5.587 5.539 1.00 10.84 H new ATOM 0 HD11 LEU A 68 18.056 -4.112 3.695 1.00 10.70 H new ATOM 0 HD12 LEU A 68 16.669 -4.874 4.509 1.00 10.70 H new ATOM 0 HD13 LEU A 68 17.066 -3.170 4.835 1.00 10.70 H new ATOM 0 HD21 LEU A 68 20.105 -3.606 4.923 1.00 9.79 H new ATOM 0 HD22 LEU A 68 19.232 -2.646 6.140 1.00 9.79 H new ATOM 0 HD23 LEU A 68 20.258 -4.009 6.650 1.00 9.79 H new ATOM 1074 N GLU A 69 14.761 -3.372 7.429 1.00 12.16 N ATOM 1075 CA GLU A 69 13.490 -2.993 6.823 1.00 12.26 C ATOM 1076 C GLU A 69 13.010 -1.633 7.318 1.00 11.96 C ATOM 1077 O GLU A 69 12.333 -0.905 6.591 1.00 11.57 O ATOM 1078 CB GLU A 69 12.438 -4.070 7.094 1.00 13.61 C ATOM 1079 CG GLU A 69 12.224 -4.350 8.571 1.00 14.60 C ATOM 1080 CD GLU A 69 11.280 -5.505 8.814 1.00 15.86 C ATOM 1081 OE1 GLU A 69 11.749 -6.582 9.230 1.00 16.53 O ATOM 1082 OE2 GLU A 69 10.066 -5.345 8.577 1.00 16.24 O ATOM 0 H GLU A 69 14.690 -4.089 8.151 1.00 12.16 H new ATOM 0 HA GLU A 69 13.643 -2.909 5.747 1.00 12.26 H new ATOM 0 HB2 GLU A 69 11.491 -3.762 6.650 1.00 13.61 H new ATOM 0 HB3 GLU A 69 12.738 -4.993 6.597 1.00 13.61 H new ATOM 0 HG2 GLU A 69 13.185 -4.566 9.039 1.00 14.60 H new ATOM 0 HG3 GLU A 69 11.829 -3.456 9.053 1.00 14.60 H new ATOM 1089 N GLU A 70 13.370 -1.282 8.538 1.00 12.26 N ATOM 1090 CA GLU A 70 13.010 0.016 9.088 1.00 12.19 C ATOM 1091 C GLU A 70 13.803 1.103 8.397 1.00 10.92 C ATOM 1092 O GLU A 70 13.255 2.111 7.953 1.00 10.57 O ATOM 1093 CB GLU A 70 13.303 0.055 10.577 1.00 13.06 C ATOM 1094 CG GLU A 70 12.601 -1.030 11.355 1.00 14.21 C ATOM 1095 CD GLU A 70 11.095 -0.861 11.369 1.00 15.02 C ATOM 1096 OE1 GLU A 70 10.597 0.034 12.084 1.00 15.56 O ATOM 1097 OE2 GLU A 70 10.401 -1.626 10.674 1.00 15.23 O ATOM 0 H GLU A 70 13.911 -1.875 9.168 1.00 12.26 H new ATOM 0 HA GLU A 70 11.944 0.179 8.927 1.00 12.19 H new ATOM 0 HB2 GLU A 70 14.378 -0.036 10.731 1.00 13.06 H new ATOM 0 HB3 GLU A 70 13.006 1.026 10.973 1.00 13.06 H new ATOM 0 HG2 GLU A 70 12.849 -1.999 10.923 1.00 14.21 H new ATOM 0 HG3 GLU A 70 12.971 -1.034 12.380 1.00 14.21 H new ATOM 1104 N MET A 71 15.100 0.877 8.299 1.00 10.30 N ATOM 1105 CA MET A 71 15.993 1.826 7.639 1.00 9.14 C ATOM 1106 C MET A 71 15.682 1.896 6.144 1.00 8.31 C ATOM 1107 O MET A 71 15.974 2.891 5.478 1.00 7.58 O ATOM 1108 CB MET A 71 17.466 1.460 7.868 1.00 8.85 C ATOM 1109 CG MET A 71 17.891 0.154 7.220 1.00 8.69 C ATOM 1110 SD MET A 71 19.605 -0.278 7.577 1.00 8.41 S ATOM 1111 CE MET A 71 20.464 1.094 6.813 1.00 8.50 C ATOM 0 H MET A 71 15.564 0.046 8.666 1.00 10.30 H new ATOM 0 HA MET A 71 15.824 2.809 8.079 1.00 9.14 H new ATOM 0 HB2 MET A 71 18.093 2.264 7.483 1.00 8.85 H new ATOM 0 HB3 MET A 71 17.651 1.397 8.940 1.00 8.85 H new ATOM 0 HG2 MET A 71 17.239 -0.648 7.567 1.00 8.69 H new ATOM 0 HG3 MET A 71 17.757 0.229 6.141 1.00 8.69 H new ATOM 0 HE1 MET A 71 21.268 0.714 6.183 1.00 8.50 H new ATOM 0 HE2 MET A 71 19.765 1.667 6.204 1.00 8.50 H new ATOM 0 HE3 MET A 71 20.883 1.737 7.587 1.00 8.50 H new ATOM 1121 N MET A 72 15.080 0.829 5.630 1.00 8.67 N ATOM 1122 CA MET A 72 14.596 0.802 4.257 1.00 8.32 C ATOM 1123 C MET A 72 13.467 1.809 4.089 1.00 8.63 C ATOM 1124 O MET A 72 13.446 2.590 3.135 1.00 8.10 O ATOM 1125 CB MET A 72 14.102 -0.602 3.902 1.00 9.08 C ATOM 1126 CG MET A 72 13.615 -0.744 2.470 1.00 9.10 C ATOM 1127 SD MET A 72 12.923 -2.372 2.133 1.00 10.28 S ATOM 1128 CE MET A 72 14.276 -3.433 2.630 1.00 11.15 C ATOM 0 H MET A 72 14.915 -0.034 6.149 1.00 8.67 H new ATOM 0 HA MET A 72 15.413 1.067 3.586 1.00 8.32 H new ATOM 0 HB2 MET A 72 14.910 -1.314 4.072 1.00 9.08 H new ATOM 0 HB3 MET A 72 13.291 -0.872 4.579 1.00 9.08 H new ATOM 0 HG2 MET A 72 12.860 0.016 2.270 1.00 9.10 H new ATOM 0 HG3 MET A 72 14.444 -0.557 1.788 1.00 9.10 H new ATOM 0 HE1 MET A 72 14.270 -4.338 2.023 1.00 11.15 H new ATOM 0 HE2 MET A 72 15.221 -2.908 2.489 1.00 11.15 H new ATOM 0 HE3 MET A 72 14.162 -3.700 3.681 1.00 11.15 H new ATOM 1138 N THR A 73 12.537 1.775 5.027 1.00 9.62 N ATOM 1139 CA THR A 73 11.430 2.723 5.060 1.00 10.09 C ATOM 1140 C THR A 73 11.935 4.143 5.337 1.00 9.53 C ATOM 1141 O THR A 73 11.397 5.118 4.813 1.00 9.49 O ATOM 1142 CB THR A 73 10.398 2.326 6.136 1.00 11.37 C ATOM 1143 OG1 THR A 73 9.999 0.960 5.952 1.00 12.02 O ATOM 1144 CG2 THR A 73 9.167 3.221 6.078 1.00 11.93 C ATOM 0 H THR A 73 12.525 1.094 5.786 1.00 9.62 H new ATOM 0 HA THR A 73 10.950 2.701 4.082 1.00 10.09 H new ATOM 0 HB THR A 73 10.869 2.447 7.111 1.00 11.37 H new ATOM 0 HG1 THR A 73 10.732 0.366 6.218 1.00 12.02 H new ATOM 0 HG21 THR A 73 8.459 2.916 6.848 1.00 11.93 H new ATOM 0 HG22 THR A 73 9.462 4.257 6.246 1.00 11.93 H new ATOM 0 HG23 THR A 73 8.698 3.132 5.098 1.00 11.93 H new ATOM 1152 N ALA A 74 12.979 4.245 6.155 1.00 9.27 N ATOM 1153 CA ALA A 74 13.556 5.533 6.526 1.00 9.02 C ATOM 1154 C ALA A 74 14.058 6.319 5.315 1.00 8.01 C ATOM 1155 O ALA A 74 13.909 7.533 5.257 1.00 8.00 O ATOM 1156 CB ALA A 74 14.689 5.326 7.517 1.00 9.32 C ATOM 0 H ALA A 74 13.446 3.442 6.577 1.00 9.27 H new ATOM 0 HA ALA A 74 12.763 6.122 6.987 1.00 9.02 H new ATOM 0 HB1 ALA A 74 15.115 6.292 7.789 1.00 9.32 H new ATOM 0 HB2 ALA A 74 14.305 4.833 8.411 1.00 9.32 H new ATOM 0 HB3 ALA A 74 15.461 4.704 7.063 1.00 9.32 H new ATOM 1162 N CYS A 75 14.649 5.630 4.350 1.00 7.31 N ATOM 1163 CA CYS A 75 15.218 6.301 3.188 1.00 6.51 C ATOM 1164 C CYS A 75 14.146 6.638 2.156 1.00 6.63 C ATOM 1165 O CYS A 75 14.143 7.727 1.586 1.00 6.46 O ATOM 1166 CB CYS A 75 16.294 5.435 2.543 1.00 5.86 C ATOM 1167 SG CYS A 75 17.580 4.886 3.685 1.00 6.16 S ATOM 0 H CYS A 75 14.747 4.615 4.347 1.00 7.31 H new ATOM 0 HA CYS A 75 15.664 7.232 3.537 1.00 6.51 H new ATOM 0 HB2 CYS A 75 15.822 4.560 2.096 1.00 5.86 H new ATOM 0 HB3 CYS A 75 16.758 5.995 1.732 1.00 5.86 H new ATOM 0 HG CYS A 75 17.083 4.016 4.513 1.00 6.16 H new ATOM 1173 N GLN A 76 13.228 5.706 1.924 1.00 7.27 N ATOM 1174 CA GLN A 76 12.200 5.909 0.912 1.00 7.76 C ATOM 1175 C GLN A 76 11.200 6.958 1.386 1.00 8.19 C ATOM 1176 O GLN A 76 10.529 6.785 2.404 1.00 8.73 O ATOM 1177 CB GLN A 76 11.506 4.586 0.555 1.00 8.60 C ATOM 1178 CG GLN A 76 10.789 3.916 1.716 1.00 9.19 C ATOM 1179 CD GLN A 76 10.220 2.561 1.346 1.00 10.10 C ATOM 1180 OE1 GLN A 76 9.098 2.460 0.862 1.00 10.49 O ATOM 1181 NE2 GLN A 76 10.986 1.511 1.588 1.00 10.66 N ATOM 0 H GLN A 76 13.175 4.814 2.416 1.00 7.27 H new ATOM 0 HA GLN A 76 12.673 6.277 0.002 1.00 7.76 H new ATOM 0 HB2 GLN A 76 10.786 4.772 -0.242 1.00 8.60 H new ATOM 0 HB3 GLN A 76 12.250 3.896 0.157 1.00 8.60 H new ATOM 0 HG2 GLN A 76 11.483 3.799 2.548 1.00 9.19 H new ATOM 0 HG3 GLN A 76 9.982 4.562 2.062 1.00 9.19 H new ATOM 0 HE21 GLN A 76 11.914 1.639 1.992 1.00 10.66 H new ATOM 0 HE22 GLN A 76 10.649 0.573 1.371 1.00 10.66 H new ATOM 1190 N GLY A 77 11.146 8.073 0.669 1.00 8.13 N ATOM 1191 CA GLY A 77 10.306 9.184 1.077 1.00 8.58 C ATOM 1192 C GLY A 77 10.866 9.894 2.297 1.00 8.30 C ATOM 1193 O GLY A 77 10.242 10.813 2.833 1.00 8.85 O ATOM 0 H GLY A 77 11.671 8.229 -0.192 1.00 8.13 H new ATOM 0 HA2 GLY A 77 10.215 9.893 0.254 1.00 8.58 H new ATOM 0 HA3 GLY A 77 9.302 8.820 1.297 1.00 8.58 H new ATOM 1197 N VAL A 78 12.061 9.467 2.705 1.00 7.65 N ATOM 1198 CA VAL A 78 12.737 9.965 3.897 1.00 7.69 C ATOM 1199 C VAL A 78 11.790 10.024 5.100 1.00 8.18 C ATOM 1200 O VAL A 78 11.218 11.070 5.421 1.00 8.24 O ATOM 1201 CB VAL A 78 13.378 11.339 3.640 1.00 7.30 C ATOM 1202 CG1 VAL A 78 14.196 11.787 4.842 1.00 7.56 C ATOM 1203 CG2 VAL A 78 14.248 11.291 2.396 1.00 7.23 C ATOM 0 H VAL A 78 12.593 8.754 2.206 1.00 7.65 H new ATOM 0 HA VAL A 78 13.532 9.259 4.136 1.00 7.69 H new ATOM 0 HB VAL A 78 12.580 12.064 3.481 1.00 7.30 H new ATOM 0 HG11 VAL A 78 14.640 12.761 4.637 1.00 7.56 H new ATOM 0 HG12 VAL A 78 13.549 11.860 5.716 1.00 7.56 H new ATOM 0 HG13 VAL A 78 14.986 11.062 5.035 1.00 7.56 H new ATOM 0 HG21 VAL A 78 14.695 12.271 2.227 1.00 7.23 H new ATOM 0 HG22 VAL A 78 15.037 10.551 2.532 1.00 7.23 H new ATOM 0 HG23 VAL A 78 13.638 11.017 1.535 1.00 7.23 H new ATOM 1213 N GLY A 79 11.626 8.884 5.749 1.00 8.79 N ATOM 1214 CA GLY A 79 10.755 8.794 6.902 1.00 9.46 C ATOM 1215 C GLY A 79 9.413 8.178 6.567 1.00 9.86 C ATOM 1216 O GLY A 79 8.516 8.139 7.408 1.00 10.49 O ATOM 0 H GLY A 79 12.086 8.010 5.495 1.00 8.79 H new ATOM 0 HA2 GLY A 79 11.241 8.199 7.675 1.00 9.46 H new ATOM 0 HA3 GLY A 79 10.601 9.791 7.316 1.00 9.46 H new ATOM 1220 N GLY A 80 9.271 7.701 5.340 1.00 9.69 N ATOM 1221 CA GLY A 80 8.019 7.110 4.916 1.00 10.31 C ATOM 1222 C GLY A 80 7.702 7.422 3.468 1.00 10.42 C ATOM 1223 O GLY A 80 7.773 8.582 3.054 1.00 10.24 O ATOM 0 H GLY A 80 10.002 7.713 4.629 1.00 9.69 H new ATOM 0 HA2 GLY A 80 8.065 6.029 5.052 1.00 10.31 H new ATOM 0 HA3 GLY A 80 7.212 7.477 5.550 1.00 10.31 H new ATOM 1227 N PRO A 81 7.346 6.400 2.673 1.00 10.92 N ATOM 1228 CA PRO A 81 7.046 6.559 1.244 1.00 11.29 C ATOM 1229 C PRO A 81 5.674 7.187 0.990 1.00 11.16 C ATOM 1230 O PRO A 81 4.827 6.607 0.307 1.00 11.39 O ATOM 1231 CB PRO A 81 7.076 5.123 0.726 1.00 12.10 C ATOM 1232 CG PRO A 81 6.661 4.301 1.896 1.00 12.10 C ATOM 1233 CD PRO A 81 7.223 4.995 3.105 1.00 11.39 C ATOM 0 HA PRO A 81 7.752 7.229 0.753 1.00 11.29 H new ATOM 0 HB2 PRO A 81 6.396 4.989 -0.115 1.00 12.10 H new ATOM 0 HB3 PRO A 81 8.071 4.846 0.378 1.00 12.10 H new ATOM 0 HG2 PRO A 81 5.575 4.228 1.957 1.00 12.10 H new ATOM 0 HG3 PRO A 81 7.045 3.284 1.815 1.00 12.10 H new ATOM 0 HD2 PRO A 81 6.563 4.897 3.967 1.00 11.39 H new ATOM 0 HD3 PRO A 81 8.188 4.578 3.394 1.00 11.39 H new ATOM 1241 N GLY A 82 5.465 8.367 1.547 1.00 10.99 N ATOM 1242 CA GLY A 82 4.225 9.082 1.336 1.00 11.07 C ATOM 1243 C GLY A 82 4.361 10.552 1.666 1.00 10.54 C ATOM 1244 O GLY A 82 3.368 11.241 1.910 1.00 10.90 O ATOM 0 H GLY A 82 6.137 8.846 2.146 1.00 10.99 H new ATOM 0 HA2 GLY A 82 3.913 8.970 0.298 1.00 11.07 H new ATOM 0 HA3 GLY A 82 3.442 8.642 1.953 1.00 11.07 H new ATOM 1248 N HIS A 83 5.592 11.038 1.662 1.00 9.87 N ATOM 1249 CA HIS A 83 5.863 12.422 2.012 1.00 9.50 C ATOM 1250 C HIS A 83 5.833 13.307 0.778 1.00 9.01 C ATOM 1251 O HIS A 83 6.440 12.992 -0.243 1.00 8.60 O ATOM 1252 CB HIS A 83 7.215 12.551 2.713 1.00 9.28 C ATOM 1253 CG HIS A 83 7.194 12.088 4.136 1.00 9.71 C ATOM 1254 ND1 HIS A 83 8.204 11.345 4.700 1.00 9.88 N ATOM 1255 CD2 HIS A 83 6.286 12.292 5.121 1.00 10.26 C ATOM 1256 CE1 HIS A 83 7.920 11.109 5.966 1.00 10.48 C ATOM 1257 NE2 HIS A 83 6.762 11.673 6.247 1.00 10.71 N ATOM 0 H HIS A 83 6.420 10.493 1.420 1.00 9.87 H new ATOM 0 HA HIS A 83 5.082 12.751 2.697 1.00 9.50 H new ATOM 0 HB2 HIS A 83 7.958 11.974 2.162 1.00 9.28 H new ATOM 0 HB3 HIS A 83 7.534 13.593 2.682 1.00 9.28 H new ATOM 0 HD1 HIS A 83 9.043 11.026 4.215 1.00 9.88 H new ATOM 0 HD2 HIS A 83 5.360 12.840 5.035 1.00 10.26 H new ATOM 0 HE1 HIS A 83 8.533 10.548 6.656 1.00 10.48 H new ATOM 1266 N LYS A 84 5.131 14.423 0.883 1.00 9.30 N ATOM 1267 CA LYS A 84 4.987 15.345 -0.234 1.00 9.11 C ATOM 1268 C LYS A 84 6.126 16.358 -0.250 1.00 8.52 C ATOM 1269 O LYS A 84 6.056 17.384 -0.926 1.00 8.22 O ATOM 1270 CB LYS A 84 3.628 16.047 -0.170 1.00 9.97 C ATOM 1271 CG LYS A 84 3.413 16.871 1.089 1.00 10.46 C ATOM 1272 CD LYS A 84 1.952 17.262 1.252 1.00 11.30 C ATOM 1273 CE LYS A 84 1.427 18.013 0.036 1.00 11.85 C ATOM 1274 NZ LYS A 84 -0.014 18.350 0.177 1.00 12.21 N ATOM 0 H LYS A 84 4.650 14.714 1.734 1.00 9.30 H new ATOM 0 HA LYS A 84 5.035 14.776 -1.162 1.00 9.11 H new ATOM 0 HB2 LYS A 84 3.526 16.697 -1.039 1.00 9.97 H new ATOM 0 HB3 LYS A 84 2.840 15.297 -0.239 1.00 9.97 H new ATOM 0 HG2 LYS A 84 3.738 16.301 1.959 1.00 10.46 H new ATOM 0 HG3 LYS A 84 4.029 17.769 1.048 1.00 10.46 H new ATOM 0 HD2 LYS A 84 1.352 16.366 1.413 1.00 11.30 H new ATOM 0 HD3 LYS A 84 1.839 17.884 2.140 1.00 11.30 H new ATOM 0 HE2 LYS A 84 2.003 18.928 -0.103 1.00 11.85 H new ATOM 0 HE3 LYS A 84 1.573 17.406 -0.857 1.00 11.85 H new ATOM 0 HZ1 LYS A 84 -0.382 18.690 -0.734 1.00 12.21 H new ATOM 0 HZ2 LYS A 84 -0.542 17.503 0.469 1.00 12.21 H new ATOM 0 HZ3 LYS A 84 -0.128 19.093 0.895 1.00 12.21 H new ATOM 1288 N ALA A 85 7.189 16.042 0.483 1.00 8.58 N ATOM 1289 CA ALA A 85 8.389 16.870 0.518 1.00 8.36 C ATOM 1290 C ALA A 85 8.997 17.002 -0.873 1.00 7.63 C ATOM 1291 O ALA A 85 9.787 17.906 -1.136 1.00 7.43 O ATOM 1292 CB ALA A 85 9.402 16.286 1.486 1.00 8.99 C ATOM 0 H ALA A 85 7.243 15.208 1.067 1.00 8.58 H new ATOM 0 HA ALA A 85 8.109 17.866 0.862 1.00 8.36 H new ATOM 0 HB1 ALA A 85 10.293 16.914 1.503 1.00 8.99 H new ATOM 0 HB2 ALA A 85 8.969 16.245 2.485 1.00 8.99 H new ATOM 0 HB3 ALA A 85 9.673 15.280 1.166 1.00 8.99 H new ATOM 1298 N ARG A 86 8.627 16.088 -1.763 1.00 7.48 N ATOM 1299 CA ARG A 86 9.113 16.110 -3.135 1.00 7.14 C ATOM 1300 C ARG A 86 8.844 17.462 -3.793 1.00 6.68 C ATOM 1301 O ARG A 86 9.681 17.968 -4.532 1.00 6.49 O ATOM 1302 CB ARG A 86 8.444 15.012 -3.963 1.00 7.54 C ATOM 1303 CG ARG A 86 9.083 14.818 -5.332 1.00 7.94 C ATOM 1304 CD ARG A 86 8.077 14.313 -6.352 1.00 8.47 C ATOM 1305 NE ARG A 86 7.131 15.358 -6.746 1.00 9.09 N ATOM 1306 CZ ARG A 86 5.886 15.125 -7.152 1.00 9.85 C ATOM 1307 NH1 ARG A 86 5.415 13.884 -7.192 1.00 10.10 N ATOM 1308 NH2 ARG A 86 5.114 16.138 -7.521 1.00 10.56 N ATOM 0 H ARG A 86 7.989 15.320 -1.556 1.00 7.48 H new ATOM 0 HA ARG A 86 10.189 15.937 -3.101 1.00 7.14 H new ATOM 0 HB2 ARG A 86 8.489 14.073 -3.412 1.00 7.54 H new ATOM 0 HB3 ARG A 86 7.390 15.256 -4.093 1.00 7.54 H new ATOM 0 HG2 ARG A 86 9.506 15.763 -5.674 1.00 7.94 H new ATOM 0 HG3 ARG A 86 9.908 14.110 -5.252 1.00 7.94 H new ATOM 0 HD2 ARG A 86 8.605 13.949 -7.234 1.00 8.47 H new ATOM 0 HD3 ARG A 86 7.531 13.467 -5.936 1.00 8.47 H new ATOM 0 HE ARG A 86 7.447 16.327 -6.707 1.00 9.09 H new ATOM 0 HH11 ARG A 86 6.009 13.104 -6.911 1.00 10.10 H new ATOM 0 HH12 ARG A 86 4.459 13.711 -7.504 1.00 10.10 H new ATOM 0 HH21 ARG A 86 5.476 17.091 -7.493 1.00 10.56 H new ATOM 0 HH22 ARG A 86 4.159 15.964 -7.833 1.00 10.56 H new ATOM 1322 N VAL A 87 7.698 18.066 -3.484 1.00 6.80 N ATOM 1323 CA VAL A 87 7.265 19.271 -4.184 1.00 6.75 C ATOM 1324 C VAL A 87 8.131 20.460 -3.795 1.00 6.55 C ATOM 1325 O VAL A 87 8.286 21.414 -4.561 1.00 6.49 O ATOM 1326 CB VAL A 87 5.777 19.592 -3.910 1.00 7.42 C ATOM 1327 CG1 VAL A 87 4.910 18.389 -4.234 1.00 7.80 C ATOM 1328 CG2 VAL A 87 5.559 20.038 -2.469 1.00 7.90 C ATOM 0 H VAL A 87 7.058 17.743 -2.759 1.00 6.80 H new ATOM 0 HA VAL A 87 7.377 19.080 -5.251 1.00 6.75 H new ATOM 0 HB VAL A 87 5.487 20.419 -4.558 1.00 7.42 H new ATOM 0 HG11 VAL A 87 3.865 18.630 -4.036 1.00 7.80 H new ATOM 0 HG12 VAL A 87 5.029 18.127 -5.285 1.00 7.80 H new ATOM 0 HG13 VAL A 87 5.212 17.545 -3.613 1.00 7.80 H new ATOM 0 HG21 VAL A 87 4.503 20.255 -2.311 1.00 7.90 H new ATOM 0 HG22 VAL A 87 5.871 19.244 -1.791 1.00 7.90 H new ATOM 0 HG23 VAL A 87 6.147 20.934 -2.273 1.00 7.90 H new ATOM 1338 N LEU A 88 8.702 20.391 -2.604 1.00 6.74 N ATOM 1339 CA LEU A 88 9.591 21.433 -2.140 1.00 6.96 C ATOM 1340 C LEU A 88 11.008 21.134 -2.603 1.00 6.75 C ATOM 1341 O LEU A 88 11.771 22.036 -2.928 1.00 6.87 O ATOM 1342 CB LEU A 88 9.498 21.577 -0.612 1.00 7.72 C ATOM 1343 CG LEU A 88 10.111 20.453 0.233 1.00 8.06 C ATOM 1344 CD1 LEU A 88 11.587 20.707 0.511 1.00 8.65 C ATOM 1345 CD2 LEU A 88 9.343 20.300 1.535 1.00 8.66 C ATOM 0 H LEU A 88 8.564 19.625 -1.945 1.00 6.74 H new ATOM 0 HA LEU A 88 9.293 22.390 -2.568 1.00 6.96 H new ATOM 0 HB2 LEU A 88 9.980 22.513 -0.330 1.00 7.72 H new ATOM 0 HB3 LEU A 88 8.445 21.667 -0.344 1.00 7.72 H new ATOM 0 HG LEU A 88 10.037 19.525 -0.334 1.00 8.06 H new ATOM 0 HD11 LEU A 88 11.990 19.892 1.112 1.00 8.65 H new ATOM 0 HD12 LEU A 88 12.130 20.765 -0.432 1.00 8.65 H new ATOM 0 HD13 LEU A 88 11.699 21.646 1.053 1.00 8.65 H new ATOM 0 HD21 LEU A 88 9.786 19.499 2.127 1.00 8.66 H new ATOM 0 HD22 LEU A 88 9.388 21.234 2.096 1.00 8.66 H new ATOM 0 HD23 LEU A 88 8.303 20.057 1.318 1.00 8.66 H new ATOM 1357 N ALA A 89 11.335 19.849 -2.649 1.00 6.75 N ATOM 1358 CA ALA A 89 12.621 19.394 -3.164 1.00 6.99 C ATOM 1359 C ALA A 89 12.775 19.774 -4.633 1.00 6.71 C ATOM 1360 O ALA A 89 13.870 20.112 -5.087 1.00 7.11 O ATOM 1361 CB ALA A 89 12.764 17.889 -2.984 1.00 7.41 C ATOM 0 H ALA A 89 10.722 19.097 -2.333 1.00 6.75 H new ATOM 0 HA ALA A 89 13.412 19.886 -2.598 1.00 6.99 H new ATOM 0 HB1 ALA A 89 13.729 17.566 -3.374 1.00 7.41 H new ATOM 0 HB2 ALA A 89 12.699 17.641 -1.924 1.00 7.41 H new ATOM 0 HB3 ALA A 89 11.966 17.380 -3.525 1.00 7.41 H new ATOM 1367 N GLU A 90 11.662 19.738 -5.365 1.00 6.35 N ATOM 1368 CA GLU A 90 11.647 20.145 -6.767 1.00 6.46 C ATOM 1369 C GLU A 90 12.027 21.614 -6.897 1.00 6.45 C ATOM 1370 O GLU A 90 12.615 22.030 -7.896 1.00 6.84 O ATOM 1371 CB GLU A 90 10.264 19.905 -7.386 1.00 6.55 C ATOM 1372 CG GLU A 90 9.894 18.435 -7.499 1.00 7.09 C ATOM 1373 CD GLU A 90 8.497 18.224 -8.040 1.00 7.80 C ATOM 1374 OE1 GLU A 90 8.317 18.273 -9.278 1.00 8.05 O ATOM 1375 OE2 GLU A 90 7.567 18.011 -7.232 1.00 8.34 O ATOM 0 H GLU A 90 10.758 19.430 -5.008 1.00 6.35 H new ATOM 0 HA GLU A 90 12.379 19.542 -7.304 1.00 6.46 H new ATOM 0 HB2 GLU A 90 9.512 20.415 -6.784 1.00 6.55 H new ATOM 0 HB3 GLU A 90 10.236 20.355 -8.378 1.00 6.55 H new ATOM 0 HG2 GLU A 90 10.611 17.933 -8.149 1.00 7.09 H new ATOM 0 HG3 GLU A 90 9.973 17.968 -6.517 1.00 7.09 H new ATOM 1382 N ALA A 91 11.697 22.394 -5.873 1.00 6.32 N ATOM 1383 CA ALA A 91 12.041 23.805 -5.841 1.00 6.63 C ATOM 1384 C ALA A 91 13.471 23.982 -5.366 1.00 6.98 C ATOM 1385 O ALA A 91 14.207 24.827 -5.866 1.00 7.39 O ATOM 1386 CB ALA A 91 11.082 24.571 -4.940 1.00 6.88 C ATOM 0 H ALA A 91 11.189 22.067 -5.051 1.00 6.32 H new ATOM 0 HA ALA A 91 11.954 24.207 -6.850 1.00 6.63 H new ATOM 0 HB1 ALA A 91 11.357 25.626 -4.930 1.00 6.88 H new ATOM 0 HB2 ALA A 91 10.065 24.465 -5.317 1.00 6.88 H new ATOM 0 HB3 ALA A 91 11.137 24.172 -3.927 1.00 6.88 H new ATOM 1392 N MET A 92 13.858 23.148 -4.412 1.00 7.07 N ATOM 1393 CA MET A 92 15.199 23.200 -3.831 1.00 7.77 C ATOM 1394 C MET A 92 16.263 22.901 -4.882 1.00 8.07 C ATOM 1395 O MET A 92 17.371 23.429 -4.824 1.00 8.75 O ATOM 1396 CB MET A 92 15.332 22.211 -2.669 1.00 8.13 C ATOM 1397 CG MET A 92 14.443 22.534 -1.479 1.00 8.95 C ATOM 1398 SD MET A 92 14.767 24.167 -0.781 1.00 9.67 S ATOM 1399 CE MET A 92 16.454 23.967 -0.212 1.00 10.32 C ATOM 0 H MET A 92 13.260 22.421 -4.019 1.00 7.07 H new ATOM 0 HA MET A 92 15.352 24.211 -3.453 1.00 7.77 H new ATOM 0 HB2 MET A 92 15.092 21.210 -3.028 1.00 8.13 H new ATOM 0 HB3 MET A 92 16.371 22.191 -2.339 1.00 8.13 H new ATOM 0 HG2 MET A 92 13.399 22.477 -1.786 1.00 8.95 H new ATOM 0 HG3 MET A 92 14.590 21.779 -0.707 1.00 8.95 H new ATOM 0 HE1 MET A 92 16.701 24.769 0.483 1.00 10.32 H new ATOM 0 HE2 MET A 92 16.557 23.006 0.292 1.00 10.32 H new ATOM 0 HE3 MET A 92 17.132 24.004 -1.064 1.00 10.32 H new ATOM 1409 N SER A 93 15.928 22.048 -5.833 1.00 7.80 N ATOM 1410 CA SER A 93 16.847 21.725 -6.913 1.00 8.38 C ATOM 1411 C SER A 93 16.765 22.782 -8.015 1.00 8.44 C ATOM 1412 O SER A 93 17.695 22.948 -8.801 1.00 9.14 O ATOM 1413 CB SER A 93 16.531 20.332 -7.474 1.00 8.44 C ATOM 1414 OG SER A 93 17.486 19.930 -8.444 1.00 8.68 O ATOM 0 H SER A 93 15.030 21.567 -5.881 1.00 7.80 H new ATOM 0 HA SER A 93 17.864 21.719 -6.521 1.00 8.38 H new ATOM 0 HB2 SER A 93 16.511 19.607 -6.660 1.00 8.44 H new ATOM 0 HB3 SER A 93 15.537 20.336 -7.921 1.00 8.44 H new ATOM 0 HG SER A 93 17.256 19.038 -8.780 1.00 8.68 H new ATOM 1420 N GLN A 94 15.661 23.519 -8.041 1.00 7.90 N ATOM 1421 CA GLN A 94 15.418 24.504 -9.089 1.00 8.16 C ATOM 1422 C GLN A 94 16.100 25.835 -8.770 1.00 8.55 C ATOM 1423 O GLN A 94 16.517 26.554 -9.679 1.00 9.08 O ATOM 1424 CB GLN A 94 13.911 24.709 -9.272 1.00 7.85 C ATOM 1425 CG GLN A 94 13.542 25.647 -10.414 1.00 8.03 C ATOM 1426 CD GLN A 94 14.021 25.168 -11.775 1.00 8.38 C ATOM 1427 OE1 GLN A 94 14.299 25.974 -12.664 1.00 8.64 O ATOM 1428 NE2 GLN A 94 14.110 23.858 -11.956 1.00 8.68 N ATOM 0 H GLN A 94 14.917 23.453 -7.346 1.00 7.90 H new ATOM 0 HA GLN A 94 15.845 24.126 -10.018 1.00 8.16 H new ATOM 0 HB2 GLN A 94 13.443 23.740 -9.447 1.00 7.85 H new ATOM 0 HB3 GLN A 94 13.494 25.102 -8.345 1.00 7.85 H new ATOM 0 HG2 GLN A 94 12.459 25.765 -10.440 1.00 8.03 H new ATOM 0 HG3 GLN A 94 13.965 26.632 -10.215 1.00 8.03 H new ATOM 0 HE21 GLN A 94 13.871 23.221 -11.196 1.00 8.68 H new ATOM 0 HE22 GLN A 94 14.417 23.487 -12.855 1.00 8.68 H new ATOM 1437 N VAL A 95 16.228 26.148 -7.477 1.00 8.52 N ATOM 1438 CA VAL A 95 16.834 27.410 -7.035 1.00 9.16 C ATOM 1439 C VAL A 95 18.267 27.567 -7.541 1.00 9.86 C ATOM 1440 O VAL A 95 18.806 28.676 -7.554 1.00 10.49 O ATOM 1441 CB VAL A 95 16.820 27.570 -5.496 1.00 9.36 C ATOM 1442 CG1 VAL A 95 15.397 27.571 -4.965 1.00 9.64 C ATOM 1443 CG2 VAL A 95 17.648 26.488 -4.820 1.00 9.49 C ATOM 0 H VAL A 95 15.919 25.544 -6.715 1.00 8.52 H new ATOM 0 HA VAL A 95 16.215 28.194 -7.470 1.00 9.16 H new ATOM 0 HB VAL A 95 17.273 28.532 -5.259 1.00 9.36 H new ATOM 0 HG11 VAL A 95 15.413 27.685 -3.881 1.00 9.64 H new ATOM 0 HG12 VAL A 95 14.844 28.399 -5.408 1.00 9.64 H new ATOM 0 HG13 VAL A 95 14.911 26.630 -5.224 1.00 9.64 H new ATOM 0 HG21 VAL A 95 17.618 26.629 -3.740 1.00 9.49 H new ATOM 0 HG22 VAL A 95 17.240 25.508 -5.070 1.00 9.49 H new ATOM 0 HG23 VAL A 95 18.680 26.551 -5.165 1.00 9.49 H new ATOM 1453 N THR A 96 18.886 26.454 -7.928 1.00 9.91 N ATOM 1454 CA THR A 96 20.230 26.472 -8.503 1.00 10.78 C ATOM 1455 C THR A 96 20.291 27.387 -9.725 1.00 11.00 C ATOM 1456 O THR A 96 21.341 27.946 -10.052 1.00 11.80 O ATOM 1457 CB THR A 96 20.668 25.055 -8.912 1.00 11.07 C ATOM 1458 OG1 THR A 96 19.671 24.467 -9.758 1.00 10.84 O ATOM 1459 CG2 THR A 96 20.882 24.176 -7.689 1.00 11.70 C ATOM 0 H THR A 96 18.476 25.523 -7.853 1.00 9.91 H new ATOM 0 HA THR A 96 20.907 26.853 -7.738 1.00 10.78 H new ATOM 0 HB THR A 96 21.612 25.130 -9.452 1.00 11.07 H new ATOM 0 HG1 THR A 96 19.130 23.837 -9.237 1.00 10.84 H new ATOM 0 HG21 THR A 96 21.191 23.180 -8.006 1.00 11.70 H new ATOM 0 HG22 THR A 96 21.656 24.612 -7.058 1.00 11.70 H new ATOM 0 HG23 THR A 96 19.952 24.105 -7.125 1.00 11.70 H new ATOM 1467 N ASN A 97 19.153 27.537 -10.390 1.00 10.45 N ATOM 1468 CA ASN A 97 19.035 28.420 -11.538 1.00 10.82 C ATOM 1469 C ASN A 97 17.923 29.431 -11.286 1.00 10.83 C ATOM 1470 O ASN A 97 16.766 29.201 -11.636 1.00 10.47 O ATOM 1471 CB ASN A 97 18.751 27.612 -12.809 1.00 10.70 C ATOM 1472 CG ASN A 97 18.678 28.473 -14.056 1.00 11.05 C ATOM 1473 OD1 ASN A 97 19.693 28.760 -14.689 1.00 11.34 O ATOM 1474 ND2 ASN A 97 17.478 28.879 -14.429 1.00 11.26 N ATOM 0 H ASN A 97 18.290 27.051 -10.148 1.00 10.45 H new ATOM 0 HA ASN A 97 19.976 28.952 -11.680 1.00 10.82 H new ATOM 0 HB2 ASN A 97 19.531 26.862 -12.938 1.00 10.70 H new ATOM 0 HB3 ASN A 97 17.810 27.076 -12.689 1.00 10.70 H new ATOM 0 HD21 ASN A 97 17.371 29.450 -15.267 1.00 11.26 H new ATOM 0 HD22 ASN A 97 16.659 28.621 -13.879 1.00 11.26 H new ATOM 1481 N PRO A 98 18.261 30.566 -10.660 1.00 11.40 N ATOM 1482 CA PRO A 98 17.283 31.593 -10.291 1.00 11.59 C ATOM 1483 C PRO A 98 16.736 32.336 -11.502 1.00 11.38 C ATOM 1484 O PRO A 98 15.766 33.085 -11.396 1.00 11.57 O ATOM 1485 CB PRO A 98 18.075 32.557 -9.391 1.00 12.45 C ATOM 1486 CG PRO A 98 19.367 31.866 -9.097 1.00 12.70 C ATOM 1487 CD PRO A 98 19.618 30.943 -10.251 1.00 12.08 C ATOM 0 HA PRO A 98 16.413 31.155 -9.802 1.00 11.59 H new ATOM 0 HB2 PRO A 98 18.246 33.510 -9.892 1.00 12.45 H new ATOM 0 HB3 PRO A 98 17.529 32.773 -8.473 1.00 12.45 H new ATOM 0 HG2 PRO A 98 20.178 32.586 -8.991 1.00 12.70 H new ATOM 0 HG3 PRO A 98 19.308 31.312 -8.160 1.00 12.70 H new ATOM 0 HD2 PRO A 98 20.161 31.439 -11.056 1.00 12.08 H new ATOM 0 HD3 PRO A 98 20.208 30.075 -9.955 1.00 12.08 H new ATOM 1495 N ALA A 99 17.344 32.100 -12.654 1.00 11.13 N ATOM 1496 CA ALA A 99 16.967 32.795 -13.872 1.00 11.14 C ATOM 1497 C ALA A 99 15.562 32.410 -14.313 1.00 10.78 C ATOM 1498 O ALA A 99 14.828 33.229 -14.858 1.00 10.91 O ATOM 1499 CB ALA A 99 17.970 32.502 -14.977 1.00 11.25 C ATOM 0 H ALA A 99 18.104 31.429 -12.770 1.00 11.13 H new ATOM 0 HA ALA A 99 16.972 33.865 -13.666 1.00 11.14 H new ATOM 0 HB1 ALA A 99 17.676 33.029 -15.885 1.00 11.25 H new ATOM 0 HB2 ALA A 99 18.960 32.837 -14.668 1.00 11.25 H new ATOM 0 HB3 ALA A 99 17.994 31.430 -15.172 1.00 11.25 H new ATOM 1505 N THR A 100 15.185 31.172 -14.038 1.00 10.51 N ATOM 1506 CA THR A 100 13.901 30.653 -14.477 1.00 10.39 C ATOM 1507 C THR A 100 12.793 31.005 -13.492 1.00 10.51 C ATOM 1508 O THR A 100 11.715 31.455 -13.886 1.00 10.58 O ATOM 1509 CB THR A 100 13.966 29.126 -14.651 1.00 10.40 C ATOM 1510 OG1 THR A 100 14.806 28.562 -13.636 1.00 10.60 O ATOM 1511 CG2 THR A 100 14.494 28.751 -16.028 1.00 10.63 C ATOM 0 H THR A 100 15.752 30.507 -13.512 1.00 10.51 H new ATOM 0 HA THR A 100 13.673 31.117 -15.436 1.00 10.39 H new ATOM 0 HB THR A 100 12.956 28.726 -14.556 1.00 10.40 H new ATOM 0 HG1 THR A 100 14.481 27.667 -13.402 1.00 10.60 H new ATOM 0 HG21 THR A 100 14.529 27.666 -16.121 1.00 10.63 H new ATOM 0 HG22 THR A 100 13.835 29.160 -16.794 1.00 10.63 H new ATOM 0 HG23 THR A 100 15.497 29.158 -16.156 1.00 10.63 H new ATOM 1519 N ILE A 101 13.073 30.820 -12.209 1.00 10.71 N ATOM 1520 CA ILE A 101 12.070 31.035 -11.172 1.00 11.06 C ATOM 1521 C ILE A 101 11.759 32.515 -10.976 1.00 11.17 C ATOM 1522 O ILE A 101 10.660 32.868 -10.559 1.00 11.41 O ATOM 1523 CB ILE A 101 12.479 30.385 -9.824 1.00 11.57 C ATOM 1524 CG1 ILE A 101 13.875 30.835 -9.366 1.00 11.88 C ATOM 1525 CG2 ILE A 101 12.425 28.874 -9.938 1.00 11.78 C ATOM 1526 CD1 ILE A 101 13.880 32.103 -8.538 1.00 12.53 C ATOM 0 H ILE A 101 13.984 30.522 -11.861 1.00 10.71 H new ATOM 0 HA ILE A 101 11.161 30.544 -11.520 1.00 11.06 H new ATOM 0 HB ILE A 101 11.767 30.718 -9.069 1.00 11.57 H new ATOM 0 HG12 ILE A 101 14.330 30.033 -8.784 1.00 11.88 H new ATOM 0 HG13 ILE A 101 14.502 30.986 -10.245 1.00 11.88 H new ATOM 0 HG21 ILE A 101 12.714 28.427 -8.987 1.00 11.78 H new ATOM 0 HG22 ILE A 101 11.411 28.564 -10.192 1.00 11.78 H new ATOM 0 HG23 ILE A 101 13.111 28.543 -10.718 1.00 11.78 H new ATOM 0 HD11 ILE A 101 14.904 32.350 -8.256 1.00 12.53 H new ATOM 0 HD12 ILE A 101 13.457 32.921 -9.122 1.00 12.53 H new ATOM 0 HD13 ILE A 101 13.283 31.953 -7.639 1.00 12.53 H new ATOM 1538 N MET A 102 12.715 33.375 -11.296 1.00 11.16 N ATOM 1539 CA MET A 102 12.536 34.809 -11.106 1.00 11.48 C ATOM 1540 C MET A 102 11.639 35.398 -12.191 1.00 11.29 C ATOM 1541 O MET A 102 10.849 36.307 -11.929 1.00 11.61 O ATOM 1542 CB MET A 102 13.895 35.511 -11.087 1.00 11.78 C ATOM 1543 CG MET A 102 13.818 36.999 -10.785 1.00 12.25 C ATOM 1544 SD MET A 102 15.447 37.759 -10.612 1.00 12.74 S ATOM 1545 CE MET A 102 16.090 36.872 -9.195 1.00 13.25 C ATOM 0 H MET A 102 13.619 33.108 -11.687 1.00 11.16 H new ATOM 0 HA MET A 102 12.046 34.970 -10.146 1.00 11.48 H new ATOM 0 HB2 MET A 102 14.530 35.032 -10.342 1.00 11.78 H new ATOM 0 HB3 MET A 102 14.378 35.371 -12.054 1.00 11.78 H new ATOM 0 HG2 MET A 102 13.271 37.500 -11.583 1.00 12.25 H new ATOM 0 HG3 MET A 102 13.251 37.150 -9.866 1.00 12.25 H new ATOM 0 HE1 MET A 102 16.856 37.474 -8.706 1.00 13.25 H new ATOM 0 HE2 MET A 102 15.281 36.673 -8.492 1.00 13.25 H new ATOM 0 HE3 MET A 102 16.526 35.928 -9.523 1.00 13.25 H new ATOM 1555 N ILE A 103 11.750 34.870 -13.407 1.00 10.93 N ATOM 1556 CA ILE A 103 10.926 35.343 -14.516 1.00 10.95 C ATOM 1557 C ILE A 103 9.468 34.970 -14.297 1.00 10.91 C ATOM 1558 O ILE A 103 8.595 35.837 -14.255 1.00 11.12 O ATOM 1559 CB ILE A 103 11.391 34.770 -15.877 1.00 10.89 C ATOM 1560 CG1 ILE A 103 12.824 35.210 -16.179 1.00 11.10 C ATOM 1561 CG2 ILE A 103 10.451 35.218 -16.992 1.00 11.06 C ATOM 1562 CD1 ILE A 103 13.359 34.693 -17.498 1.00 11.41 C ATOM 0 H ILE A 103 12.397 34.120 -13.649 1.00 10.93 H new ATOM 0 HA ILE A 103 11.035 36.427 -14.544 1.00 10.95 H new ATOM 0 HB ILE A 103 11.367 33.682 -15.821 1.00 10.89 H new ATOM 0 HG12 ILE A 103 12.866 36.299 -16.183 1.00 11.10 H new ATOM 0 HG13 ILE A 103 13.476 34.869 -15.375 1.00 11.10 H new ATOM 0 HG21 ILE A 103 10.792 34.807 -17.942 1.00 11.06 H new ATOM 0 HG22 ILE A 103 9.442 34.861 -16.783 1.00 11.06 H new ATOM 0 HG23 ILE A 103 10.446 36.307 -17.049 1.00 11.06 H new ATOM 0 HD11 ILE A 103 14.380 35.047 -17.641 1.00 11.41 H new ATOM 0 HD12 ILE A 103 13.351 33.603 -17.492 1.00 11.41 H new ATOM 0 HD13 ILE A 103 12.732 35.056 -18.312 1.00 11.41 H new ATOM 1574 N GLN A 104 9.223 33.676 -14.123 1.00 10.83 N ATOM 1575 CA GLN A 104 7.865 33.155 -13.999 1.00 11.03 C ATOM 1576 C GLN A 104 7.168 33.701 -12.754 1.00 11.28 C ATOM 1577 O GLN A 104 5.945 33.801 -12.713 1.00 11.50 O ATOM 1578 CB GLN A 104 7.878 31.621 -13.968 1.00 11.19 C ATOM 1579 CG GLN A 104 8.607 31.033 -12.771 1.00 11.48 C ATOM 1580 CD GLN A 104 8.710 29.521 -12.831 1.00 11.71 C ATOM 1581 OE1 GLN A 104 7.834 28.803 -12.345 1.00 11.93 O ATOM 1582 NE2 GLN A 104 9.780 29.029 -13.435 1.00 11.88 N ATOM 0 H GLN A 104 9.951 32.964 -14.064 1.00 10.83 H new ATOM 0 HA GLN A 104 7.303 33.487 -14.872 1.00 11.03 H new ATOM 0 HB2 GLN A 104 6.850 31.259 -13.968 1.00 11.19 H new ATOM 0 HB3 GLN A 104 8.345 31.253 -14.882 1.00 11.19 H new ATOM 0 HG2 GLN A 104 9.609 31.459 -12.716 1.00 11.48 H new ATOM 0 HG3 GLN A 104 8.087 31.321 -11.857 1.00 11.48 H new ATOM 0 HE21 GLN A 104 10.481 29.659 -13.824 1.00 11.88 H new ATOM 0 HE22 GLN A 104 9.903 28.019 -13.512 1.00 11.88 H new ATOM 1591 N LYS A 105 7.954 34.070 -11.750 1.00 11.41 N ATOM 1592 CA LYS A 105 7.413 34.610 -10.510 1.00 11.86 C ATOM 1593 C LYS A 105 6.780 35.981 -10.752 1.00 11.85 C ATOM 1594 O LYS A 105 5.872 36.396 -10.029 1.00 12.20 O ATOM 1595 CB LYS A 105 8.523 34.706 -9.457 1.00 12.25 C ATOM 1596 CG LYS A 105 8.050 35.176 -8.093 1.00 12.76 C ATOM 1597 CD LYS A 105 9.158 35.084 -7.058 1.00 13.39 C ATOM 1598 CE LYS A 105 8.699 35.591 -5.699 1.00 14.09 C ATOM 1599 NZ LYS A 105 8.417 37.051 -5.714 1.00 14.37 N ATOM 0 H LYS A 105 8.972 34.005 -11.771 1.00 11.41 H new ATOM 0 HA LYS A 105 6.636 33.939 -10.142 1.00 11.86 H new ATOM 0 HB2 LYS A 105 8.991 33.728 -9.349 1.00 12.25 H new ATOM 0 HB3 LYS A 105 9.292 35.389 -9.818 1.00 12.25 H new ATOM 0 HG2 LYS A 105 7.700 36.206 -8.163 1.00 12.76 H new ATOM 0 HG3 LYS A 105 7.201 34.572 -7.773 1.00 12.76 H new ATOM 0 HD2 LYS A 105 9.488 34.049 -6.968 1.00 13.39 H new ATOM 0 HD3 LYS A 105 10.018 35.665 -7.392 1.00 13.39 H new ATOM 0 HE2 LYS A 105 7.802 35.052 -5.395 1.00 14.09 H new ATOM 0 HE3 LYS A 105 9.466 35.378 -4.955 1.00 14.09 H new ATOM 0 HZ1 LYS A 105 8.290 37.390 -4.739 1.00 14.37 H new ATOM 0 HZ2 LYS A 105 9.214 37.554 -6.154 1.00 14.37 H new ATOM 0 HZ3 LYS A 105 7.550 37.232 -6.259 1.00 14.37 H new ATOM 1613 N GLY A 106 7.262 36.676 -11.771 1.00 11.60 N ATOM 1614 CA GLY A 106 6.734 37.985 -12.083 1.00 11.77 C ATOM 1615 C GLY A 106 5.475 37.936 -12.934 1.00 11.76 C ATOM 1616 O GLY A 106 4.406 38.366 -12.496 1.00 12.03 O ATOM 0 H GLY A 106 8.009 36.356 -12.387 1.00 11.60 H new ATOM 0 HA2 GLY A 106 6.517 38.513 -11.154 1.00 11.77 H new ATOM 0 HA3 GLY A 106 7.496 38.562 -12.607 1.00 11.77 H new ATOM 1620 N ASN A 107 5.604 37.419 -14.150 1.00 11.60 N ATOM 1621 CA ASN A 107 4.507 37.439 -15.120 1.00 11.78 C ATOM 1622 C ASN A 107 3.579 36.230 -14.989 1.00 12.07 C ATOM 1623 O ASN A 107 2.359 36.378 -14.998 1.00 12.33 O ATOM 1624 CB ASN A 107 5.046 37.532 -16.556 1.00 11.85 C ATOM 1625 CG ASN A 107 5.890 36.335 -16.967 1.00 11.96 C ATOM 1626 OD1 ASN A 107 6.567 35.718 -16.146 1.00 11.97 O ATOM 1627 ND2 ASN A 107 5.849 35.998 -18.242 1.00 12.28 N ATOM 0 H ASN A 107 6.458 36.979 -14.492 1.00 11.60 H new ATOM 0 HA ASN A 107 3.917 38.328 -14.897 1.00 11.78 H new ATOM 0 HB2 ASN A 107 4.207 37.628 -17.245 1.00 11.85 H new ATOM 0 HB3 ASN A 107 5.644 38.438 -16.653 1.00 11.85 H new ATOM 0 HD21 ASN A 107 6.391 35.201 -18.577 1.00 12.28 H new ATOM 0 HD22 ASN A 107 5.275 36.534 -18.893 1.00 12.28 H new ATOM 1634 N PHE A 108 4.158 35.040 -14.881 1.00 12.19 N ATOM 1635 CA PHE A 108 3.385 33.800 -14.905 1.00 12.69 C ATOM 1636 C PHE A 108 2.599 33.603 -13.613 1.00 12.92 C ATOM 1637 O PHE A 108 1.458 33.141 -13.635 1.00 13.36 O ATOM 1638 CB PHE A 108 4.322 32.609 -15.150 1.00 13.02 C ATOM 1639 CG PHE A 108 3.661 31.264 -15.021 1.00 13.41 C ATOM 1640 CD1 PHE A 108 3.824 30.508 -13.870 1.00 13.60 C ATOM 1641 CD2 PHE A 108 2.879 30.757 -16.046 1.00 13.76 C ATOM 1642 CE1 PHE A 108 3.217 29.273 -13.744 1.00 14.16 C ATOM 1643 CE2 PHE A 108 2.271 29.523 -15.925 1.00 14.30 C ATOM 1644 CZ PHE A 108 2.442 28.780 -14.773 1.00 14.51 C ATOM 0 H PHE A 108 5.164 34.906 -14.776 1.00 12.19 H new ATOM 0 HA PHE A 108 2.663 33.865 -15.719 1.00 12.69 H new ATOM 0 HB2 PHE A 108 4.748 32.697 -16.149 1.00 13.02 H new ATOM 0 HB3 PHE A 108 5.151 32.663 -14.444 1.00 13.02 H new ATOM 0 HD1 PHE A 108 4.432 30.889 -13.063 1.00 13.60 H new ATOM 0 HD2 PHE A 108 2.743 31.333 -16.949 1.00 13.76 H new ATOM 0 HE1 PHE A 108 3.349 28.695 -12.841 1.00 14.16 H new ATOM 0 HE2 PHE A 108 1.662 29.139 -16.730 1.00 14.30 H new ATOM 0 HZ PHE A 108 1.969 27.814 -14.678 1.00 14.51 H new ATOM 1654 N ARG A 109 3.218 33.950 -12.496 1.00 12.75 N ATOM 1655 CA ARG A 109 2.605 33.767 -11.186 1.00 13.13 C ATOM 1656 C ARG A 109 1.261 34.479 -11.095 1.00 13.11 C ATOM 1657 O ARG A 109 0.236 33.833 -10.884 1.00 13.55 O ATOM 1658 CB ARG A 109 3.542 34.285 -10.094 1.00 13.21 C ATOM 1659 CG ARG A 109 2.965 34.205 -8.689 1.00 13.63 C ATOM 1660 CD ARG A 109 3.902 34.839 -7.675 1.00 13.95 C ATOM 1661 NE ARG A 109 3.367 34.790 -6.316 1.00 14.26 N ATOM 1662 CZ ARG A 109 3.816 35.547 -5.316 1.00 14.71 C ATOM 1663 NH1 ARG A 109 4.766 36.444 -5.530 1.00 14.89 N ATOM 1664 NH2 ARG A 109 3.300 35.421 -4.102 1.00 15.12 N ATOM 0 H ARG A 109 4.150 34.363 -12.469 1.00 12.75 H new ATOM 0 HA ARG A 109 2.432 32.700 -11.043 1.00 13.13 H new ATOM 0 HB2 ARG A 109 4.470 33.715 -10.127 1.00 13.21 H new ATOM 0 HB3 ARG A 109 3.797 35.322 -10.312 1.00 13.21 H new ATOM 0 HG2 ARG A 109 1.999 34.709 -8.660 1.00 13.63 H new ATOM 0 HG3 ARG A 109 2.789 33.163 -8.424 1.00 13.63 H new ATOM 0 HD2 ARG A 109 4.864 34.327 -7.703 1.00 13.95 H new ATOM 0 HD3 ARG A 109 4.086 35.877 -7.953 1.00 13.95 H new ATOM 0 HE ARG A 109 2.606 34.139 -6.122 1.00 14.26 H new ATOM 0 HH11 ARG A 109 5.158 36.558 -6.465 1.00 14.89 H new ATOM 0 HH12 ARG A 109 5.106 37.021 -4.760 1.00 14.89 H new ATOM 0 HH21 ARG A 109 2.557 34.743 -3.931 1.00 15.12 H new ATOM 0 HH22 ARG A 109 3.646 36.002 -3.338 1.00 15.12 H new ATOM 1678 N ASN A 110 1.275 35.798 -11.300 1.00 12.73 N ATOM 1679 CA ASN A 110 0.098 36.646 -11.080 1.00 12.86 C ATOM 1680 C ASN A 110 -0.342 36.551 -9.624 1.00 12.47 C ATOM 1681 O ASN A 110 0.029 37.381 -8.792 1.00 12.44 O ATOM 1682 CB ASN A 110 -1.073 36.265 -11.999 1.00 13.08 C ATOM 1683 CG ASN A 110 -0.772 36.466 -13.469 1.00 13.55 C ATOM 1684 OD1 ASN A 110 -0.957 37.554 -14.010 1.00 13.74 O ATOM 1685 ND2 ASN A 110 -0.333 35.409 -14.132 1.00 13.93 N ATOM 0 H ASN A 110 2.098 36.308 -11.622 1.00 12.73 H new ATOM 0 HA ASN A 110 0.385 37.670 -11.319 1.00 12.86 H new ATOM 0 HB2 ASN A 110 -1.334 35.221 -11.829 1.00 13.08 H new ATOM 0 HB3 ASN A 110 -1.946 36.860 -11.729 1.00 13.08 H new ATOM 0 HD21 ASN A 110 -0.135 35.479 -15.130 1.00 13.93 H new ATOM 0 HD22 ASN A 110 -0.193 34.524 -13.645 1.00 13.93 H new ATOM 1692 N GLN A 111 -1.123 35.526 -9.324 1.00 12.38 N ATOM 1693 CA GLN A 111 -1.515 35.218 -7.964 1.00 12.20 C ATOM 1694 C GLN A 111 -1.223 33.747 -7.704 1.00 11.61 C ATOM 1695 O GLN A 111 -0.420 33.408 -6.834 1.00 11.50 O ATOM 1696 CB GLN A 111 -3.002 35.517 -7.748 1.00 12.57 C ATOM 1697 CG GLN A 111 -3.419 36.904 -8.216 1.00 13.05 C ATOM 1698 CD GLN A 111 -4.842 37.243 -7.837 1.00 13.63 C ATOM 1699 OE1 GLN A 111 -5.785 36.944 -8.570 1.00 13.90 O ATOM 1700 NE2 GLN A 111 -5.007 37.891 -6.699 1.00 14.01 N ATOM 0 H GLN A 111 -1.502 34.884 -10.020 1.00 12.38 H new ATOM 0 HA GLN A 111 -0.951 35.838 -7.268 1.00 12.20 H new ATOM 0 HB2 GLN A 111 -3.595 34.771 -8.277 1.00 12.57 H new ATOM 0 HB3 GLN A 111 -3.234 35.415 -6.688 1.00 12.57 H new ATOM 0 HG2 GLN A 111 -2.746 37.646 -7.786 1.00 13.05 H new ATOM 0 HG3 GLN A 111 -3.311 36.965 -9.299 1.00 13.05 H new ATOM 0 HE21 GLN A 111 -4.199 38.120 -6.121 1.00 14.01 H new ATOM 0 HE22 GLN A 111 -5.943 38.163 -6.398 1.00 14.01 H new ATOM 1709 N ARG A 112 -1.868 32.887 -8.488 1.00 11.45 N ATOM 1710 CA ARG A 112 -1.600 31.449 -8.496 1.00 11.12 C ATOM 1711 C ARG A 112 -1.648 30.858 -7.086 1.00 10.61 C ATOM 1712 O ARG A 112 -0.735 30.146 -6.660 1.00 10.60 O ATOM 1713 CB ARG A 112 -0.241 31.166 -9.149 1.00 11.41 C ATOM 1714 CG ARG A 112 -0.024 29.705 -9.512 1.00 11.96 C ATOM 1715 CD ARG A 112 1.379 29.465 -10.039 1.00 12.50 C ATOM 1716 NE ARG A 112 1.597 28.063 -10.389 1.00 13.09 N ATOM 1717 CZ ARG A 112 2.756 27.427 -10.237 1.00 13.79 C ATOM 1718 NH1 ARG A 112 3.810 28.062 -9.735 1.00 14.01 N ATOM 1719 NH2 ARG A 112 2.856 26.151 -10.585 1.00 14.43 N ATOM 0 H ARG A 112 -2.598 33.170 -9.142 1.00 11.45 H new ATOM 0 HA ARG A 112 -2.383 30.968 -9.081 1.00 11.12 H new ATOM 0 HB2 ARG A 112 -0.149 31.772 -10.051 1.00 11.41 H new ATOM 0 HB3 ARG A 112 0.550 31.483 -8.470 1.00 11.41 H new ATOM 0 HG2 ARG A 112 -0.196 29.082 -8.634 1.00 11.96 H new ATOM 0 HG3 ARG A 112 -0.753 29.404 -10.264 1.00 11.96 H new ATOM 0 HD2 ARG A 112 1.549 30.089 -10.916 1.00 12.50 H new ATOM 0 HD3 ARG A 112 2.106 29.769 -9.286 1.00 12.50 H new ATOM 0 HE ARG A 112 0.811 27.539 -10.774 1.00 13.09 H new ATOM 0 HH11 ARG A 112 3.733 29.042 -9.464 1.00 14.01 H new ATOM 0 HH12 ARG A 112 4.696 27.569 -9.621 1.00 14.01 H new ATOM 0 HH21 ARG A 112 2.047 25.662 -10.967 1.00 14.43 H new ATOM 0 HH22 ARG A 112 3.742 25.659 -10.470 1.00 14.43 H new ATOM 1733 N LYS A 113 -2.716 31.149 -6.363 1.00 10.40 N ATOM 1734 CA LYS A 113 -2.897 30.594 -5.031 1.00 10.14 C ATOM 1735 C LYS A 113 -3.397 29.158 -5.116 1.00 9.74 C ATOM 1736 O LYS A 113 -3.544 28.486 -4.104 1.00 9.59 O ATOM 1737 CB LYS A 113 -3.877 31.437 -4.211 1.00 10.36 C ATOM 1738 CG LYS A 113 -3.337 32.801 -3.809 1.00 10.98 C ATOM 1739 CD LYS A 113 -4.294 33.508 -2.860 1.00 11.43 C ATOM 1740 CE LYS A 113 -3.723 34.825 -2.356 1.00 11.95 C ATOM 1741 NZ LYS A 113 -3.540 35.817 -3.447 1.00 12.41 N ATOM 0 H LYS A 113 -3.468 31.764 -6.673 1.00 10.40 H new ATOM 0 HA LYS A 113 -1.929 30.606 -4.531 1.00 10.14 H new ATOM 0 HB2 LYS A 113 -4.791 31.576 -4.788 1.00 10.36 H new ATOM 0 HB3 LYS A 113 -4.149 30.886 -3.311 1.00 10.36 H new ATOM 0 HG2 LYS A 113 -2.365 32.685 -3.331 1.00 10.98 H new ATOM 0 HG3 LYS A 113 -3.184 33.412 -4.699 1.00 10.98 H new ATOM 0 HD2 LYS A 113 -5.240 33.694 -3.369 1.00 11.43 H new ATOM 0 HD3 LYS A 113 -4.511 32.858 -2.012 1.00 11.43 H new ATOM 0 HE2 LYS A 113 -4.388 35.240 -1.599 1.00 11.95 H new ATOM 0 HE3 LYS A 113 -2.764 34.641 -1.872 1.00 11.95 H new ATOM 0 HZ1 LYS A 113 -3.230 36.724 -3.043 1.00 12.41 H new ATOM 0 HZ2 LYS A 113 -2.821 35.471 -4.114 1.00 12.41 H new ATOM 0 HZ3 LYS A 113 -4.441 35.952 -3.948 1.00 12.41 H new ATOM 1755 N THR A 114 -3.627 28.691 -6.341 1.00 9.83 N ATOM 1756 CA THR A 114 -4.156 27.352 -6.586 1.00 9.78 C ATOM 1757 C THR A 114 -3.189 26.255 -6.132 1.00 9.62 C ATOM 1758 O THR A 114 -3.567 25.086 -6.045 1.00 9.64 O ATOM 1759 CB THR A 114 -4.493 27.152 -8.081 1.00 10.31 C ATOM 1760 OG1 THR A 114 -5.067 25.855 -8.292 1.00 10.49 O ATOM 1761 CG2 THR A 114 -3.255 27.310 -8.953 1.00 10.80 C ATOM 0 H THR A 114 -3.452 29.229 -7.190 1.00 9.83 H new ATOM 0 HA THR A 114 -5.068 27.268 -5.995 1.00 9.78 H new ATOM 0 HB THR A 114 -5.214 27.919 -8.364 1.00 10.31 H new ATOM 0 HG1 THR A 114 -4.863 25.278 -7.526 1.00 10.49 H new ATOM 0 HG21 THR A 114 -3.525 27.163 -9.999 1.00 10.80 H new ATOM 0 HG22 THR A 114 -2.843 28.310 -8.822 1.00 10.80 H new ATOM 0 HG23 THR A 114 -2.509 26.569 -8.664 1.00 10.80 H new ATOM 1769 N VAL A 115 -1.940 26.626 -5.871 1.00 9.74 N ATOM 1770 CA VAL A 115 -0.957 25.675 -5.368 1.00 9.92 C ATOM 1771 C VAL A 115 -1.198 25.417 -3.884 1.00 9.30 C ATOM 1772 O VAL A 115 -0.823 24.374 -3.348 1.00 9.52 O ATOM 1773 CB VAL A 115 0.488 26.178 -5.574 1.00 10.85 C ATOM 1774 CG1 VAL A 115 1.496 25.119 -5.148 1.00 11.22 C ATOM 1775 CG2 VAL A 115 0.715 26.578 -7.026 1.00 11.44 C ATOM 0 H VAL A 115 -1.586 27.574 -5.999 1.00 9.74 H new ATOM 0 HA VAL A 115 -1.075 24.750 -5.933 1.00 9.92 H new ATOM 0 HB VAL A 115 0.633 27.058 -4.947 1.00 10.85 H new ATOM 0 HG11 VAL A 115 2.507 25.496 -5.302 1.00 11.22 H new ATOM 0 HG12 VAL A 115 1.353 24.884 -4.093 1.00 11.22 H new ATOM 0 HG13 VAL A 115 1.350 24.218 -5.743 1.00 11.22 H new ATOM 0 HG21 VAL A 115 1.739 26.930 -7.151 1.00 11.44 H new ATOM 0 HG22 VAL A 115 0.546 25.716 -7.671 1.00 11.44 H new ATOM 0 HG23 VAL A 115 0.022 27.375 -7.296 1.00 11.44 H new ATOM 1785 N LYS A 116 -1.840 26.377 -3.230 1.00 8.75 N ATOM 1786 CA LYS A 116 -2.142 26.261 -1.817 1.00 8.35 C ATOM 1787 C LYS A 116 -3.635 26.071 -1.615 1.00 7.64 C ATOM 1788 O LYS A 116 -4.455 26.501 -2.427 1.00 7.40 O ATOM 1789 CB LYS A 116 -1.649 27.485 -1.043 1.00 8.50 C ATOM 1790 CG LYS A 116 -0.159 27.736 -1.212 1.00 9.04 C ATOM 1791 CD LYS A 116 0.301 28.985 -0.479 1.00 9.56 C ATOM 1792 CE LYS A 116 1.791 29.219 -0.682 1.00 10.24 C ATOM 1793 NZ LYS A 116 2.264 30.460 -0.009 1.00 10.72 N ATOM 0 H LYS A 116 -2.160 27.244 -3.660 1.00 8.75 H new ATOM 0 HA LYS A 116 -1.618 25.388 -1.428 1.00 8.35 H new ATOM 0 HB2 LYS A 116 -2.200 28.365 -1.376 1.00 8.50 H new ATOM 0 HB3 LYS A 116 -1.871 27.352 0.016 1.00 8.50 H new ATOM 0 HG2 LYS A 116 0.397 26.875 -0.842 1.00 9.04 H new ATOM 0 HG3 LYS A 116 0.073 27.833 -2.273 1.00 9.04 H new ATOM 0 HD2 LYS A 116 -0.259 29.849 -0.838 1.00 9.56 H new ATOM 0 HD3 LYS A 116 0.086 28.886 0.585 1.00 9.56 H new ATOM 0 HE2 LYS A 116 2.347 28.364 -0.296 1.00 10.24 H new ATOM 0 HE3 LYS A 116 2.005 29.283 -1.749 1.00 10.24 H new ATOM 0 HZ1 LYS A 116 3.284 30.578 -0.175 1.00 10.72 H new ATOM 0 HZ2 LYS A 116 1.754 31.280 -0.395 1.00 10.72 H new ATOM 0 HZ3 LYS A 116 2.085 30.390 1.013 1.00 10.72 H new ATOM 1807 N CYS A 117 -3.980 25.415 -0.533 1.00 7.61 N ATOM 1808 CA CYS A 117 -5.350 25.060 -0.265 1.00 7.28 C ATOM 1809 C CYS A 117 -6.055 26.164 0.498 1.00 6.81 C ATOM 1810 O CYS A 117 -5.958 26.235 1.717 1.00 6.94 O ATOM 1811 CB CYS A 117 -5.370 23.779 0.558 1.00 7.77 C ATOM 1812 SG CYS A 117 -7.018 23.137 0.898 1.00 8.16 S ATOM 0 H CYS A 117 -3.320 25.114 0.184 1.00 7.61 H new ATOM 0 HA CYS A 117 -5.871 24.913 -1.211 1.00 7.28 H new ATOM 0 HB2 CYS A 117 -4.797 23.015 0.032 1.00 7.77 H new ATOM 0 HB3 CYS A 117 -4.862 23.962 1.505 1.00 7.77 H new ATOM 1817 N PHE A 118 -6.790 27.005 -0.200 1.00 6.60 N ATOM 1818 CA PHE A 118 -7.556 28.040 0.463 1.00 6.49 C ATOM 1819 C PHE A 118 -8.945 27.527 0.826 1.00 6.66 C ATOM 1820 O PHE A 118 -9.950 27.988 0.299 1.00 6.96 O ATOM 1821 CB PHE A 118 -7.625 29.316 -0.389 1.00 6.75 C ATOM 1822 CG PHE A 118 -7.738 29.088 -1.875 1.00 6.84 C ATOM 1823 CD1 PHE A 118 -8.975 28.961 -2.481 1.00 7.09 C ATOM 1824 CD2 PHE A 118 -6.602 29.021 -2.664 1.00 7.05 C ATOM 1825 CE1 PHE A 118 -9.080 28.770 -3.845 1.00 7.55 C ATOM 1826 CE2 PHE A 118 -6.701 28.826 -4.029 1.00 7.50 C ATOM 1827 CZ PHE A 118 -7.940 28.702 -4.620 1.00 7.76 C ATOM 0 H PHE A 118 -6.873 26.993 -1.217 1.00 6.60 H new ATOM 0 HA PHE A 118 -7.045 28.303 1.389 1.00 6.49 H new ATOM 0 HB2 PHE A 118 -8.481 29.907 -0.062 1.00 6.75 H new ATOM 0 HB3 PHE A 118 -6.733 29.912 -0.195 1.00 6.75 H new ATOM 0 HD1 PHE A 118 -9.871 29.012 -1.880 1.00 7.09 H new ATOM 0 HD2 PHE A 118 -5.628 29.122 -2.208 1.00 7.05 H new ATOM 0 HE1 PHE A 118 -10.053 28.674 -4.304 1.00 7.55 H new ATOM 0 HE2 PHE A 118 -5.807 28.771 -4.633 1.00 7.50 H new ATOM 0 HZ PHE A 118 -8.019 28.552 -5.687 1.00 7.76 H new ATOM 1837 N ASN A 119 -8.977 26.555 1.735 1.00 6.83 N ATOM 1838 CA ASN A 119 -10.236 25.991 2.225 1.00 7.37 C ATOM 1839 C ASN A 119 -10.008 25.011 3.384 1.00 7.84 C ATOM 1840 O ASN A 119 -10.775 25.008 4.347 1.00 8.35 O ATOM 1841 CB ASN A 119 -11.025 25.294 1.104 1.00 7.76 C ATOM 1842 CG ASN A 119 -10.324 24.082 0.536 1.00 8.38 C ATOM 1843 OD1 ASN A 119 -10.463 22.970 1.035 1.00 8.64 O ATOM 1844 ND2 ASN A 119 -9.577 24.287 -0.528 1.00 8.90 N ATOM 0 H ASN A 119 -8.143 26.139 2.149 1.00 6.83 H new ATOM 0 HA ASN A 119 -10.825 26.831 2.592 1.00 7.37 H new ATOM 0 HB2 ASN A 119 -11.999 24.993 1.490 1.00 7.76 H new ATOM 0 HB3 ASN A 119 -11.207 26.008 0.301 1.00 7.76 H new ATOM 0 HD21 ASN A 119 -9.089 23.506 -0.967 1.00 8.90 H new ATOM 0 HD22 ASN A 119 -9.486 25.227 -0.914 1.00 8.90 H new ATOM 1851 N CYS A 120 -8.961 24.181 3.312 1.00 7.96 N ATOM 1852 CA CYS A 120 -8.778 23.140 4.325 1.00 8.71 C ATOM 1853 C CYS A 120 -7.357 23.082 4.900 1.00 8.75 C ATOM 1854 O CYS A 120 -7.165 22.585 6.008 1.00 9.54 O ATOM 1855 CB CYS A 120 -9.167 21.764 3.748 1.00 9.25 C ATOM 1856 SG CYS A 120 -7.788 20.604 3.513 1.00 9.45 S ATOM 0 H CYS A 120 -8.247 24.208 2.584 1.00 7.96 H new ATOM 0 HA CYS A 120 -9.436 23.403 5.153 1.00 8.71 H new ATOM 0 HB2 CYS A 120 -9.899 21.303 4.412 1.00 9.25 H new ATOM 0 HB3 CYS A 120 -9.660 21.917 2.788 1.00 9.25 H new ATOM 1861 N GLY A 121 -6.362 23.601 4.186 1.00 8.15 N ATOM 1862 CA GLY A 121 -4.989 23.330 4.592 1.00 8.48 C ATOM 1863 C GLY A 121 -4.048 24.516 4.499 1.00 8.66 C ATOM 1864 O GLY A 121 -3.142 24.642 5.321 1.00 9.05 O ATOM 0 H GLY A 121 -6.472 24.187 3.358 1.00 8.15 H new ATOM 0 HA2 GLY A 121 -4.994 22.969 5.621 1.00 8.48 H new ATOM 0 HA3 GLY A 121 -4.595 22.523 3.973 1.00 8.48 H new ATOM 1868 N LYS A 122 -4.251 25.374 3.501 1.00 8.64 N ATOM 1869 CA LYS A 122 -3.348 26.484 3.219 1.00 9.14 C ATOM 1870 C LYS A 122 -1.963 25.956 2.840 1.00 9.38 C ATOM 1871 O LYS A 122 -0.944 26.624 3.025 1.00 9.60 O ATOM 1872 CB LYS A 122 -3.259 27.425 4.417 1.00 10.04 C ATOM 1873 CG LYS A 122 -2.789 28.812 4.044 1.00 10.62 C ATOM 1874 CD LYS A 122 -2.200 29.545 5.237 1.00 11.49 C ATOM 1875 CE LYS A 122 -0.910 28.892 5.721 1.00 12.13 C ATOM 1876 NZ LYS A 122 0.080 28.734 4.621 1.00 12.70 N ATOM 0 H LYS A 122 -5.047 25.318 2.866 1.00 8.64 H new ATOM 0 HA LYS A 122 -3.745 27.049 2.376 1.00 9.14 H new ATOM 0 HB2 LYS A 122 -4.238 27.494 4.891 1.00 10.04 H new ATOM 0 HB3 LYS A 122 -2.577 27.002 5.154 1.00 10.04 H new ATOM 0 HG2 LYS A 122 -2.041 28.743 3.254 1.00 10.62 H new ATOM 0 HG3 LYS A 122 -3.625 29.384 3.642 1.00 10.62 H new ATOM 0 HD2 LYS A 122 -2.003 30.582 4.966 1.00 11.49 H new ATOM 0 HD3 LYS A 122 -2.927 29.561 6.049 1.00 11.49 H new ATOM 0 HE2 LYS A 122 -0.474 29.496 6.517 1.00 12.13 H new ATOM 0 HE3 LYS A 122 -1.136 27.915 6.149 1.00 12.13 H new ATOM 0 HZ1 LYS A 122 1.017 28.529 5.024 1.00 12.70 H new ATOM 0 HZ2 LYS A 122 -0.210 27.950 4.003 1.00 12.70 H new ATOM 0 HZ3 LYS A 122 0.126 29.613 4.067 1.00 12.70 H new ATOM 1890 N GLU A 123 -1.954 24.748 2.296 1.00 9.61 N ATOM 1891 CA GLU A 123 -0.734 24.069 1.908 1.00 10.15 C ATOM 1892 C GLU A 123 -0.892 23.508 0.498 1.00 10.16 C ATOM 1893 O GLU A 123 -1.808 23.898 -0.210 1.00 9.77 O ATOM 1894 CB GLU A 123 -0.428 22.941 2.891 1.00 10.72 C ATOM 1895 CG GLU A 123 -1.467 21.830 2.894 1.00 11.36 C ATOM 1896 CD GLU A 123 -0.883 20.503 3.328 1.00 12.15 C ATOM 1897 OE1 GLU A 123 -0.871 20.219 4.540 1.00 12.53 O ATOM 1898 OE2 GLU A 123 -0.422 19.741 2.450 1.00 12.54 O ATOM 0 H GLU A 123 -2.801 24.211 2.112 1.00 9.61 H new ATOM 0 HA GLU A 123 0.094 24.778 1.922 1.00 10.15 H new ATOM 0 HB2 GLU A 123 0.545 22.515 2.649 1.00 10.72 H new ATOM 0 HB3 GLU A 123 -0.352 23.358 3.895 1.00 10.72 H new ATOM 0 HG2 GLU A 123 -2.285 22.101 3.562 1.00 11.36 H new ATOM 0 HG3 GLU A 123 -1.892 21.729 1.895 1.00 11.36 H new ATOM 1905 N GLY A 124 -0.039 22.562 0.120 1.00 10.81 N ATOM 1906 CA GLY A 124 -0.023 22.051 -1.239 1.00 11.18 C ATOM 1907 C GLY A 124 -1.170 21.106 -1.562 1.00 11.06 C ATOM 1908 O GLY A 124 -0.948 19.937 -1.881 1.00 11.83 O ATOM 0 H GLY A 124 0.650 22.135 0.739 1.00 10.81 H new ATOM 0 HA2 GLY A 124 -0.053 22.892 -1.932 1.00 11.18 H new ATOM 0 HA3 GLY A 124 0.920 21.532 -1.409 1.00 11.18 H new ATOM 1912 N HIS A 125 -2.390 21.597 -1.437 1.00 10.27 N ATOM 1913 CA HIS A 125 -3.554 20.930 -2.022 1.00 10.32 C ATOM 1914 C HIS A 125 -4.165 21.861 -3.048 1.00 9.72 C ATOM 1915 O HIS A 125 -4.170 23.077 -2.854 1.00 9.32 O ATOM 1916 CB HIS A 125 -4.682 20.611 -1.020 1.00 10.21 C ATOM 1917 CG HIS A 125 -4.295 19.999 0.287 1.00 10.68 C ATOM 1918 ND1 HIS A 125 -4.927 20.380 1.448 1.00 10.37 N ATOM 1919 CD2 HIS A 125 -3.424 19.000 0.565 1.00 11.65 C ATOM 1920 CE1 HIS A 125 -4.442 19.609 2.399 1.00 11.18 C ATOM 1921 NE2 HIS A 125 -3.523 18.755 1.914 1.00 11.94 N ATOM 0 H HIS A 125 -2.607 22.458 -0.935 1.00 10.27 H new ATOM 0 HA HIS A 125 -3.184 19.988 -2.427 1.00 10.32 H new ATOM 0 HB2 HIS A 125 -5.218 21.537 -0.812 1.00 10.21 H new ATOM 0 HB3 HIS A 125 -5.386 19.939 -1.510 1.00 10.21 H new ATOM 0 HD2 HIS A 125 -2.777 18.494 -0.137 1.00 11.65 H new ATOM 0 HE1 HIS A 125 -4.743 19.656 3.435 1.00 11.18 H new ATOM 0 HE2 HIS A 125 -3.000 18.059 2.445 1.00 11.94 H new ATOM 1929 N ILE A 126 -4.692 21.311 -4.121 1.00 9.89 N ATOM 1930 CA ILE A 126 -5.519 22.100 -5.008 1.00 9.58 C ATOM 1931 C ILE A 126 -6.906 22.227 -4.393 1.00 9.30 C ATOM 1932 O ILE A 126 -7.555 21.227 -4.081 1.00 9.89 O ATOM 1933 CB ILE A 126 -5.619 21.491 -6.426 1.00 10.51 C ATOM 1934 CG1 ILE A 126 -6.037 20.018 -6.364 1.00 11.44 C ATOM 1935 CG2 ILE A 126 -4.294 21.647 -7.159 1.00 10.87 C ATOM 1936 CD1 ILE A 126 -6.281 19.395 -7.720 1.00 12.22 C ATOM 0 H ILE A 126 -4.566 20.337 -4.397 1.00 9.89 H new ATOM 0 HA ILE A 126 -5.056 23.080 -5.123 1.00 9.58 H new ATOM 0 HB ILE A 126 -6.388 22.031 -6.979 1.00 10.51 H new ATOM 0 HG12 ILE A 126 -5.262 19.451 -5.848 1.00 11.44 H new ATOM 0 HG13 ILE A 126 -6.945 19.932 -5.767 1.00 11.44 H new ATOM 0 HG21 ILE A 126 -4.377 21.215 -8.156 1.00 10.87 H new ATOM 0 HG22 ILE A 126 -4.046 22.705 -7.242 1.00 10.87 H new ATOM 0 HG23 ILE A 126 -3.509 21.133 -6.605 1.00 10.87 H new ATOM 0 HD11 ILE A 126 -6.573 18.352 -7.594 1.00 12.22 H new ATOM 0 HD12 ILE A 126 -7.078 19.936 -8.231 1.00 12.22 H new ATOM 0 HD13 ILE A 126 -5.368 19.447 -8.314 1.00 12.22 H new ATOM 1948 N ALA A 127 -7.345 23.467 -4.191 1.00 8.62 N ATOM 1949 CA ALA A 127 -8.631 23.741 -3.550 1.00 8.50 C ATOM 1950 C ALA A 127 -9.781 23.035 -4.261 1.00 9.47 C ATOM 1951 O ALA A 127 -10.859 22.867 -3.701 1.00 9.79 O ATOM 1952 CB ALA A 127 -8.884 25.242 -3.475 1.00 7.91 C ATOM 0 H ALA A 127 -6.827 24.302 -4.463 1.00 8.62 H new ATOM 0 HA ALA A 127 -8.583 23.344 -2.536 1.00 8.50 H new ATOM 0 HB1 ALA A 127 -9.845 25.425 -2.995 1.00 7.91 H new ATOM 0 HB2 ALA A 127 -8.092 25.716 -2.895 1.00 7.91 H new ATOM 0 HB3 ALA A 127 -8.895 25.660 -4.482 1.00 7.91 H new ATOM 1958 N LYS A 128 -9.536 22.627 -5.498 1.00 10.12 N ATOM 1959 CA LYS A 128 -10.535 21.939 -6.300 1.00 11.20 C ATOM 1960 C LYS A 128 -10.927 20.591 -5.687 1.00 11.91 C ATOM 1961 O LYS A 128 -12.111 20.250 -5.647 1.00 12.77 O ATOM 1962 CB LYS A 128 -10.003 21.717 -7.718 1.00 11.83 C ATOM 1963 CG LYS A 128 -9.452 22.975 -8.370 1.00 11.76 C ATOM 1964 CD LYS A 128 -10.507 24.066 -8.478 1.00 12.45 C ATOM 1965 CE LYS A 128 -9.950 25.316 -9.139 1.00 12.66 C ATOM 1966 NZ LYS A 128 -9.481 25.055 -10.527 1.00 13.15 N ATOM 0 H LYS A 128 -8.643 22.763 -5.971 1.00 10.12 H new ATOM 0 HA LYS A 128 -11.424 22.569 -6.329 1.00 11.20 H new ATOM 0 HB2 LYS A 128 -9.218 20.961 -7.688 1.00 11.83 H new ATOM 0 HB3 LYS A 128 -10.805 21.319 -8.339 1.00 11.83 H new ATOM 0 HG2 LYS A 128 -8.606 23.344 -7.790 1.00 11.76 H new ATOM 0 HG3 LYS A 128 -9.076 22.734 -9.364 1.00 11.76 H new ATOM 0 HD2 LYS A 128 -11.356 23.697 -9.053 1.00 12.45 H new ATOM 0 HD3 LYS A 128 -10.879 24.314 -7.484 1.00 12.45 H new ATOM 0 HE2 LYS A 128 -10.718 26.089 -9.156 1.00 12.66 H new ATOM 0 HE3 LYS A 128 -9.122 25.702 -8.544 1.00 12.66 H new ATOM 0 HZ1 LYS A 128 -9.333 25.959 -11.019 1.00 13.15 H new ATOM 0 HZ2 LYS A 128 -8.586 24.526 -10.497 1.00 13.15 H new ATOM 0 HZ3 LYS A 128 -10.196 24.497 -11.036 1.00 13.15 H new ATOM 1980 N ASN A 129 -9.949 19.838 -5.185 1.00 11.70 N ATOM 1981 CA ASN A 129 -10.213 18.466 -4.755 1.00 12.56 C ATOM 1982 C ASN A 129 -10.622 18.421 -3.288 1.00 12.29 C ATOM 1983 O ASN A 129 -11.288 17.481 -2.847 1.00 13.04 O ATOM 1984 CB ASN A 129 -8.994 17.558 -5.002 1.00 13.04 C ATOM 1985 CG ASN A 129 -8.008 17.521 -3.845 1.00 13.96 C ATOM 1986 OD1 ASN A 129 -7.093 18.339 -3.763 1.00 14.48 O ATOM 1987 ND2 ASN A 129 -8.166 16.543 -2.962 1.00 14.33 N ATOM 0 H ASN A 129 -8.984 20.147 -5.067 1.00 11.70 H new ATOM 0 HA ASN A 129 -11.042 18.090 -5.354 1.00 12.56 H new ATOM 0 HB2 ASN A 129 -9.343 16.545 -5.202 1.00 13.04 H new ATOM 0 HB3 ASN A 129 -8.475 17.899 -5.898 1.00 13.04 H new ATOM 0 HD21 ASN A 129 -7.516 16.451 -2.181 1.00 14.33 H new ATOM 0 HD22 ASN A 129 -8.938 15.884 -3.064 1.00 14.33 H new ATOM 1994 N CYS A 130 -10.232 19.438 -2.538 1.00 11.34 N ATOM 1995 CA CYS A 130 -10.623 19.544 -1.144 1.00 11.22 C ATOM 1996 C CYS A 130 -12.032 20.115 -1.034 1.00 11.41 C ATOM 1997 O CYS A 130 -12.329 21.178 -1.585 1.00 10.94 O ATOM 1998 CB CYS A 130 -9.639 20.418 -0.375 1.00 10.26 C ATOM 1999 SG CYS A 130 -8.003 19.686 -0.147 1.00 10.18 S ATOM 0 H CYS A 130 -9.645 20.202 -2.872 1.00 11.34 H new ATOM 0 HA CYS A 130 -10.612 18.546 -0.706 1.00 11.22 H new ATOM 0 HB2 CYS A 130 -9.528 21.367 -0.900 1.00 10.26 H new ATOM 0 HB3 CYS A 130 -10.062 20.643 0.604 1.00 10.26 H new ATOM 2004 N ARG A 131 -12.905 19.396 -0.350 1.00 12.28 N ATOM 2005 CA ARG A 131 -14.267 19.842 -0.163 1.00 12.72 C ATOM 2006 C ARG A 131 -14.382 20.677 1.108 1.00 12.49 C ATOM 2007 O ARG A 131 -14.499 20.140 2.211 1.00 12.99 O ATOM 2008 CB ARG A 131 -15.178 18.620 -0.091 1.00 13.93 C ATOM 2009 CG ARG A 131 -15.018 17.701 -1.291 1.00 14.54 C ATOM 2010 CD ARG A 131 -15.673 16.355 -1.060 1.00 15.39 C ATOM 2011 NE ARG A 131 -15.613 15.506 -2.250 1.00 15.94 N ATOM 2012 CZ ARG A 131 -16.377 14.431 -2.450 1.00 16.74 C ATOM 2013 NH1 ARG A 131 -17.259 14.056 -1.531 1.00 17.08 N ATOM 2014 NH2 ARG A 131 -16.252 13.729 -3.569 1.00 17.31 N ATOM 0 H ARG A 131 -12.690 18.499 0.085 1.00 12.28 H new ATOM 0 HA ARG A 131 -14.568 20.469 -1.002 1.00 12.72 H new ATOM 0 HB2 ARG A 131 -14.961 18.063 0.820 1.00 13.93 H new ATOM 0 HB3 ARG A 131 -16.215 18.948 -0.025 1.00 13.93 H new ATOM 0 HG2 ARG A 131 -15.456 18.172 -2.171 1.00 14.54 H new ATOM 0 HG3 ARG A 131 -13.958 17.558 -1.501 1.00 14.54 H new ATOM 0 HD2 ARG A 131 -15.181 15.850 -0.229 1.00 15.39 H new ATOM 0 HD3 ARG A 131 -16.714 16.503 -0.772 1.00 15.39 H new ATOM 0 HE ARG A 131 -14.941 15.753 -2.976 1.00 15.94 H new ATOM 0 HH11 ARG A 131 -17.355 14.591 -0.668 1.00 17.08 H new ATOM 0 HH12 ARG A 131 -17.841 13.233 -1.688 1.00 17.08 H new ATOM 0 HH21 ARG A 131 -15.572 14.012 -4.275 1.00 17.31 H new ATOM 0 HH22 ARG A 131 -16.836 12.907 -3.723 1.00 17.31 H new ATOM 2028 N ALA A 132 -14.353 21.992 0.938 1.00 11.89 N ATOM 2029 CA ALA A 132 -14.437 22.934 2.046 1.00 11.80 C ATOM 2030 C ALA A 132 -14.729 24.330 1.501 1.00 11.49 C ATOM 2031 O ALA A 132 -14.501 24.584 0.322 1.00 10.98 O ATOM 2032 CB ALA A 132 -13.137 22.919 2.845 1.00 11.27 C ATOM 0 H ALA A 132 -14.270 22.437 0.024 1.00 11.89 H new ATOM 0 HA ALA A 132 -15.247 22.643 2.715 1.00 11.80 H new ATOM 0 HB1 ALA A 132 -13.209 23.626 3.671 1.00 11.27 H new ATOM 0 HB2 ALA A 132 -12.964 21.918 3.239 1.00 11.27 H new ATOM 0 HB3 ALA A 132 -12.308 23.202 2.196 1.00 11.27 H new ATOM 2038 N PRO A 133 -15.257 25.246 2.331 1.00 11.98 N ATOM 2039 CA PRO A 133 -15.585 26.608 1.890 1.00 11.96 C ATOM 2040 C PRO A 133 -14.362 27.379 1.388 1.00 11.21 C ATOM 2041 O PRO A 133 -13.267 27.242 1.932 1.00 11.39 O ATOM 2042 CB PRO A 133 -16.164 27.270 3.146 1.00 12.84 C ATOM 2043 CG PRO A 133 -15.681 26.436 4.282 1.00 13.32 C ATOM 2044 CD PRO A 133 -15.589 25.037 3.750 1.00 12.82 C ATOM 0 HA PRO A 133 -16.274 26.599 1.045 1.00 11.96 H new ATOM 0 HB2 PRO A 133 -15.823 28.301 3.241 1.00 12.84 H new ATOM 0 HB3 PRO A 133 -17.253 27.296 3.111 1.00 12.84 H new ATOM 0 HG2 PRO A 133 -14.711 26.784 4.638 1.00 13.32 H new ATOM 0 HG3 PRO A 133 -16.368 26.489 5.126 1.00 13.32 H new ATOM 0 HD2 PRO A 133 -14.821 24.459 4.264 1.00 12.82 H new ATOM 0 HD3 PRO A 133 -16.528 24.497 3.870 1.00 12.82 H new ATOM 2052 N ARG A 134 -14.589 28.212 0.366 1.00 10.58 N ATOM 2053 CA ARG A 134 -13.547 29.005 -0.310 1.00 10.01 C ATOM 2054 C ARG A 134 -12.798 28.153 -1.321 1.00 9.69 C ATOM 2055 O ARG A 134 -11.840 28.598 -1.939 1.00 10.21 O ATOM 2056 CB ARG A 134 -12.565 29.667 0.671 1.00 10.03 C ATOM 2057 CG ARG A 134 -11.620 30.676 0.034 1.00 10.19 C ATOM 2058 CD ARG A 134 -10.709 31.313 1.068 1.00 10.81 C ATOM 2059 NE ARG A 134 -11.455 32.135 2.021 1.00 11.15 N ATOM 2060 CZ ARG A 134 -11.050 32.392 3.264 1.00 11.83 C ATOM 2061 NH1 ARG A 134 -9.910 31.884 3.715 1.00 12.25 N ATOM 2062 NH2 ARG A 134 -11.785 33.160 4.055 1.00 12.30 N ATOM 0 H ARG A 134 -15.520 28.359 -0.025 1.00 10.58 H new ATOM 0 HA ARG A 134 -14.060 29.813 -0.831 1.00 10.01 H new ATOM 0 HB2 ARG A 134 -13.135 30.166 1.454 1.00 10.03 H new ATOM 0 HB3 ARG A 134 -11.974 28.889 1.154 1.00 10.03 H new ATOM 0 HG2 ARG A 134 -11.018 30.182 -0.728 1.00 10.19 H new ATOM 0 HG3 ARG A 134 -12.198 31.451 -0.470 1.00 10.19 H new ATOM 0 HD2 ARG A 134 -10.169 30.533 1.606 1.00 10.81 H new ATOM 0 HD3 ARG A 134 -9.963 31.928 0.565 1.00 10.81 H new ATOM 0 HE ARG A 134 -12.341 32.537 1.714 1.00 11.15 H new ATOM 0 HH11 ARG A 134 -9.340 31.294 3.109 1.00 12.25 H new ATOM 0 HH12 ARG A 134 -9.604 32.084 4.667 1.00 12.25 H new ATOM 0 HH21 ARG A 134 -12.661 33.555 3.712 1.00 12.30 H new ATOM 0 HH22 ARG A 134 -11.475 33.357 5.007 1.00 12.30 H new ATOM 2076 N LYS A 135 -13.252 26.931 -1.521 1.00 9.06 N ATOM 2077 CA LYS A 135 -12.690 26.100 -2.567 1.00 9.00 C ATOM 2078 C LYS A 135 -13.108 26.638 -3.932 1.00 9.08 C ATOM 2079 O LYS A 135 -12.381 26.510 -4.917 1.00 9.30 O ATOM 2080 CB LYS A 135 -13.088 24.639 -2.362 1.00 8.75 C ATOM 2081 CG LYS A 135 -14.547 24.297 -2.663 1.00 8.95 C ATOM 2082 CD LYS A 135 -14.802 24.000 -4.140 1.00 9.28 C ATOM 2083 CE LYS A 135 -13.906 22.890 -4.676 1.00 9.72 C ATOM 2084 NZ LYS A 135 -13.944 21.670 -3.826 1.00 10.11 N ATOM 0 H LYS A 135 -13.999 26.496 -0.980 1.00 9.06 H new ATOM 0 HA LYS A 135 -11.602 26.136 -2.521 1.00 9.00 H new ATOM 0 HB2 LYS A 135 -12.452 24.017 -2.992 1.00 8.75 H new ATOM 0 HB3 LYS A 135 -12.877 24.367 -1.328 1.00 8.75 H new ATOM 0 HG2 LYS A 135 -14.841 23.432 -2.069 1.00 8.95 H new ATOM 0 HG3 LYS A 135 -15.180 25.128 -2.351 1.00 8.95 H new ATOM 0 HD2 LYS A 135 -15.846 23.717 -4.275 1.00 9.28 H new ATOM 0 HD3 LYS A 135 -14.640 24.907 -4.723 1.00 9.28 H new ATOM 0 HE2 LYS A 135 -14.216 22.634 -5.689 1.00 9.72 H new ATOM 0 HE3 LYS A 135 -12.880 23.253 -4.739 1.00 9.72 H new ATOM 0 HZ1 LYS A 135 -13.550 20.866 -4.355 1.00 10.11 H new ATOM 0 HZ2 LYS A 135 -13.381 21.828 -2.966 1.00 10.11 H new ATOM 0 HZ3 LYS A 135 -14.928 21.461 -3.562 1.00 10.11 H new ATOM 2098 N LYS A 136 -14.288 27.259 -3.972 1.00 9.17 N ATOM 2099 CA LYS A 136 -14.708 28.026 -5.137 1.00 9.54 C ATOM 2100 C LYS A 136 -14.129 29.427 -5.025 1.00 9.54 C ATOM 2101 O LYS A 136 -14.324 30.278 -5.890 1.00 9.99 O ATOM 2102 CB LYS A 136 -16.237 28.103 -5.222 1.00 10.03 C ATOM 2103 CG LYS A 136 -16.924 26.746 -5.239 1.00 10.42 C ATOM 2104 CD LYS A 136 -18.437 26.882 -5.337 1.00 10.60 C ATOM 2105 CE LYS A 136 -18.867 27.430 -6.691 1.00 11.32 C ATOM 2106 NZ LYS A 136 -20.346 27.459 -6.842 1.00 11.69 N ATOM 0 H LYS A 136 -14.966 27.244 -3.210 1.00 9.17 H new ATOM 0 HA LYS A 136 -14.346 27.534 -6.040 1.00 9.54 H new ATOM 0 HB2 LYS A 136 -16.610 28.677 -4.374 1.00 10.03 H new ATOM 0 HB3 LYS A 136 -16.514 28.650 -6.123 1.00 10.03 H new ATOM 0 HG2 LYS A 136 -16.556 26.162 -6.083 1.00 10.42 H new ATOM 0 HG3 LYS A 136 -16.666 26.196 -4.334 1.00 10.42 H new ATOM 0 HD2 LYS A 136 -18.901 25.909 -5.174 1.00 10.60 H new ATOM 0 HD3 LYS A 136 -18.795 27.542 -4.547 1.00 10.60 H new ATOM 0 HE2 LYS A 136 -18.471 28.438 -6.815 1.00 11.32 H new ATOM 0 HE3 LYS A 136 -18.435 26.818 -7.483 1.00 11.32 H new ATOM 0 HZ1 LYS A 136 -20.591 27.507 -7.852 1.00 11.69 H new ATOM 0 HZ2 LYS A 136 -20.754 26.597 -6.427 1.00 11.69 H new ATOM 0 HZ3 LYS A 136 -20.729 28.294 -6.353 1.00 11.69 H new ATOM 2120 N GLY A 137 -13.410 29.645 -3.935 1.00 9.28 N ATOM 2121 CA GLY A 137 -12.799 30.928 -3.668 1.00 9.53 C ATOM 2122 C GLY A 137 -13.671 31.835 -2.820 1.00 9.53 C ATOM 2123 O GLY A 137 -13.219 32.890 -2.378 1.00 9.44 O ATOM 0 H GLY A 137 -13.237 28.940 -3.218 1.00 9.28 H new ATOM 0 HA2 GLY A 137 -11.846 30.772 -3.162 1.00 9.53 H new ATOM 0 HA3 GLY A 137 -12.580 31.424 -4.614 1.00 9.53 H new ATOM 2127 N CYS A 138 -14.909 31.425 -2.569 1.00 9.89 N ATOM 2128 CA CYS A 138 -15.866 32.297 -1.903 1.00 10.22 C ATOM 2129 C CYS A 138 -16.398 31.722 -0.595 1.00 9.92 C ATOM 2130 O CYS A 138 -16.544 30.508 -0.444 1.00 9.94 O ATOM 2131 CB CYS A 138 -17.032 32.591 -2.839 1.00 11.12 C ATOM 2132 SG CYS A 138 -18.353 33.527 -2.053 1.00 12.01 S ATOM 0 H CYS A 138 -15.270 30.503 -2.814 1.00 9.89 H new ATOM 0 HA CYS A 138 -15.331 33.213 -1.653 1.00 10.22 H new ATOM 0 HB2 CYS A 138 -16.666 33.147 -3.702 1.00 11.12 H new ATOM 0 HB3 CYS A 138 -17.435 31.650 -3.213 1.00 11.12 H new ATOM 2137 N TRP A 139 -16.683 32.620 0.352 1.00 9.89 N ATOM 2138 CA TRP A 139 -17.350 32.241 1.602 1.00 9.90 C ATOM 2139 C TRP A 139 -18.747 32.871 1.763 1.00 10.86 C ATOM 2140 O TRP A 139 -19.240 32.969 2.888 1.00 11.32 O ATOM 2141 CB TRP A 139 -16.490 32.632 2.814 1.00 9.65 C ATOM 2142 CG TRP A 139 -15.492 31.590 3.224 1.00 9.03 C ATOM 2143 CD1 TRP A 139 -15.046 30.544 2.479 1.00 8.51 C ATOM 2144 CD2 TRP A 139 -14.821 31.499 4.487 1.00 9.20 C ATOM 2145 NE1 TRP A 139 -14.132 29.804 3.193 1.00 8.35 N ATOM 2146 CE2 TRP A 139 -13.978 30.371 4.430 1.00 8.78 C ATOM 2147 CE3 TRP A 139 -14.847 32.262 5.657 1.00 9.91 C ATOM 2148 CZ2 TRP A 139 -13.172 29.991 5.499 1.00 9.11 C ATOM 2149 CZ3 TRP A 139 -14.046 31.883 6.717 1.00 10.19 C ATOM 2150 CH2 TRP A 139 -13.218 30.757 6.631 1.00 9.81 C ATOM 0 H TRP A 139 -16.463 33.613 0.278 1.00 9.89 H new ATOM 0 HA TRP A 139 -17.477 31.159 1.554 1.00 9.90 H new ATOM 0 HB2 TRP A 139 -15.960 33.556 2.585 1.00 9.65 H new ATOM 0 HB3 TRP A 139 -17.147 32.842 3.658 1.00 9.65 H new ATOM 0 HD1 TRP A 139 -15.364 30.325 1.470 1.00 8.51 H new ATOM 0 HE1 TRP A 139 -13.649 28.971 2.857 1.00 8.35 H new ATOM 0 HE3 TRP A 139 -15.482 33.133 5.732 1.00 9.91 H new ATOM 0 HZ2 TRP A 139 -12.533 29.122 5.437 1.00 9.11 H new ATOM 0 HZ3 TRP A 139 -14.059 32.465 7.627 1.00 10.19 H new ATOM 0 HH2 TRP A 139 -12.603 30.488 7.477 1.00 9.81 H new ATOM 2161 N LYS A 140 -19.404 33.284 0.668 1.00 11.35 N ATOM 2162 CA LYS A 140 -20.733 33.906 0.797 1.00 12.41 C ATOM 2163 C LYS A 140 -21.540 33.918 -0.509 1.00 12.91 C ATOM 2164 O LYS A 140 -22.692 33.491 -0.523 1.00 13.52 O ATOM 2165 CB LYS A 140 -20.600 35.331 1.321 1.00 13.04 C ATOM 2166 CG LYS A 140 -21.868 35.861 1.974 1.00 14.05 C ATOM 2167 CD LYS A 140 -22.313 34.958 3.112 1.00 14.34 C ATOM 2168 CE LYS A 140 -23.460 35.560 3.909 1.00 15.50 C ATOM 2169 NZ LYS A 140 -23.884 34.667 5.020 1.00 16.11 N ATOM 0 H LYS A 140 -19.053 33.204 -0.286 1.00 11.35 H new ATOM 0 HA LYS A 140 -21.285 33.287 1.504 1.00 12.41 H new ATOM 0 HB2 LYS A 140 -19.786 35.369 2.045 1.00 13.04 H new ATOM 0 HB3 LYS A 140 -20.324 35.988 0.496 1.00 13.04 H new ATOM 0 HG2 LYS A 140 -21.693 36.868 2.352 1.00 14.05 H new ATOM 0 HG3 LYS A 140 -22.662 35.933 1.230 1.00 14.05 H new ATOM 0 HD2 LYS A 140 -22.620 33.993 2.709 1.00 14.34 H new ATOM 0 HD3 LYS A 140 -21.469 34.772 3.777 1.00 14.34 H new ATOM 0 HE2 LYS A 140 -23.155 36.525 4.314 1.00 15.50 H new ATOM 0 HE3 LYS A 140 -24.306 35.745 3.247 1.00 15.50 H new ATOM 0 HZ1 LYS A 140 -24.406 35.220 5.730 1.00 16.11 H new ATOM 0 HZ2 LYS A 140 -24.498 33.915 4.646 1.00 16.11 H new ATOM 0 HZ3 LYS A 140 -23.045 34.241 5.462 1.00 16.11 H new ATOM 2183 N CYS A 141 -20.947 34.404 -1.599 1.00 12.82 N ATOM 2184 CA CYS A 141 -21.660 34.512 -2.879 1.00 13.44 C ATOM 2185 C CYS A 141 -21.981 33.117 -3.410 1.00 13.01 C ATOM 2186 O CYS A 141 -22.842 32.947 -4.275 1.00 13.56 O ATOM 2187 CB CYS A 141 -20.828 35.250 -3.955 1.00 13.82 C ATOM 2188 SG CYS A 141 -19.809 36.633 -3.379 1.00 13.97 S ATOM 0 H CYS A 141 -19.980 34.728 -1.626 1.00 12.82 H new ATOM 0 HA CYS A 141 -22.569 35.083 -2.687 1.00 13.44 H new ATOM 0 HB2 CYS A 141 -20.175 34.524 -4.440 1.00 13.82 H new ATOM 0 HB3 CYS A 141 -21.511 35.624 -4.718 1.00 13.82 H new ATOM 2193 N GLY A 142 -21.274 32.122 -2.878 1.00 12.16 N ATOM 2194 CA GLY A 142 -21.450 30.754 -3.326 1.00 11.86 C ATOM 2195 C GLY A 142 -20.947 30.544 -4.738 1.00 11.95 C ATOM 2196 O GLY A 142 -21.274 29.549 -5.382 1.00 12.26 O ATOM 0 H GLY A 142 -20.579 32.242 -2.141 1.00 12.16 H new ATOM 0 HA2 GLY A 142 -20.921 30.082 -2.650 1.00 11.86 H new ATOM 0 HA3 GLY A 142 -22.506 30.490 -3.276 1.00 11.86 H new ATOM 2200 N LYS A 143 -20.128 31.473 -5.213 1.00 11.90 N ATOM 2201 CA LYS A 143 -19.676 31.466 -6.593 1.00 12.23 C ATOM 2202 C LYS A 143 -18.316 32.148 -6.697 1.00 11.90 C ATOM 2203 O LYS A 143 -17.996 33.028 -5.898 1.00 11.44 O ATOM 2204 CB LYS A 143 -20.710 32.176 -7.476 1.00 13.11 C ATOM 2205 CG LYS A 143 -20.421 32.084 -8.966 1.00 13.82 C ATOM 2206 CD LYS A 143 -21.579 32.588 -9.820 1.00 14.46 C ATOM 2207 CE LYS A 143 -21.734 34.102 -9.773 1.00 15.30 C ATOM 2208 NZ LYS A 143 -22.452 34.573 -8.559 1.00 15.88 N ATOM 0 H LYS A 143 -19.762 32.245 -4.656 1.00 11.90 H new ATOM 0 HA LYS A 143 -19.571 30.437 -6.938 1.00 12.23 H new ATOM 0 HB2 LYS A 143 -21.694 31.749 -7.280 1.00 13.11 H new ATOM 0 HB3 LYS A 143 -20.756 33.227 -7.190 1.00 13.11 H new ATOM 0 HG2 LYS A 143 -19.526 32.663 -9.195 1.00 13.82 H new ATOM 0 HG3 LYS A 143 -20.206 31.048 -9.227 1.00 13.82 H new ATOM 0 HD2 LYS A 143 -21.425 32.275 -10.853 1.00 14.46 H new ATOM 0 HD3 LYS A 143 -22.504 32.122 -9.480 1.00 14.46 H new ATOM 0 HE2 LYS A 143 -20.748 34.564 -9.808 1.00 15.30 H new ATOM 0 HE3 LYS A 143 -22.273 34.435 -10.660 1.00 15.30 H new ATOM 0 HZ1 LYS A 143 -23.147 35.299 -8.826 1.00 15.88 H new ATOM 0 HZ2 LYS A 143 -22.943 33.772 -8.113 1.00 15.88 H new ATOM 0 HZ3 LYS A 143 -21.769 34.978 -7.887 1.00 15.88 H new ATOM 2222 N GLU A 144 -17.527 31.737 -7.684 1.00 12.31 N ATOM 2223 CA GLU A 144 -16.168 32.238 -7.851 1.00 12.29 C ATOM 2224 C GLU A 144 -16.146 33.593 -8.551 1.00 12.31 C ATOM 2225 O GLU A 144 -15.087 34.195 -8.714 1.00 12.33 O ATOM 2226 CB GLU A 144 -15.300 31.238 -8.629 1.00 13.02 C ATOM 2227 CG GLU A 144 -15.885 30.780 -9.959 1.00 13.41 C ATOM 2228 CD GLU A 144 -16.916 29.680 -9.804 1.00 13.89 C ATOM 2229 OE1 GLU A 144 -18.114 30.000 -9.663 1.00 14.11 O ATOM 2230 OE2 GLU A 144 -16.532 28.492 -9.827 1.00 14.20 O ATOM 0 H GLU A 144 -17.809 31.052 -8.386 1.00 12.31 H new ATOM 0 HA GLU A 144 -15.754 32.363 -6.851 1.00 12.29 H new ATOM 0 HB2 GLU A 144 -14.326 31.691 -8.814 1.00 13.02 H new ATOM 0 HB3 GLU A 144 -15.130 30.362 -8.003 1.00 13.02 H new ATOM 0 HG2 GLU A 144 -16.343 31.632 -10.461 1.00 13.41 H new ATOM 0 HG3 GLU A 144 -15.079 30.427 -10.602 1.00 13.41 H new ATOM 2237 N GLY A 145 -17.316 34.071 -8.953 1.00 12.50 N ATOM 2238 CA GLY A 145 -17.413 35.369 -9.592 1.00 12.76 C ATOM 2239 C GLY A 145 -17.482 36.490 -8.576 1.00 12.89 C ATOM 2240 O GLY A 145 -18.448 37.257 -8.542 1.00 13.35 O ATOM 0 H GLY A 145 -18.204 33.580 -8.847 1.00 12.50 H new ATOM 0 HA2 GLY A 145 -16.551 35.520 -10.242 1.00 12.76 H new ATOM 0 HA3 GLY A 145 -18.299 35.397 -10.226 1.00 12.76 H new ATOM 2244 N HIS A 146 -16.464 36.571 -7.736 1.00 12.67 N ATOM 2245 CA HIS A 146 -16.419 37.549 -6.662 1.00 12.99 C ATOM 2246 C HIS A 146 -14.958 37.907 -6.373 1.00 12.58 C ATOM 2247 O HIS A 146 -14.047 37.184 -6.779 1.00 11.92 O ATOM 2248 CB HIS A 146 -17.110 36.974 -5.404 1.00 13.11 C ATOM 2249 CG HIS A 146 -16.243 36.056 -4.594 1.00 13.73 C ATOM 2250 ND1 HIS A 146 -16.265 36.079 -3.214 1.00 13.78 N ATOM 2251 CD2 HIS A 146 -15.263 35.216 -5.011 1.00 14.46 C ATOM 2252 CE1 HIS A 146 -15.280 35.282 -2.849 1.00 14.54 C ATOM 2253 NE2 HIS A 146 -14.654 34.738 -3.895 1.00 14.96 N ATOM 0 H HIS A 146 -15.647 35.962 -7.779 1.00 12.67 H new ATOM 0 HA HIS A 146 -16.950 38.454 -6.956 1.00 12.99 H new ATOM 0 HB2 HIS A 146 -17.436 37.800 -4.772 1.00 13.11 H new ATOM 0 HB3 HIS A 146 -18.006 36.434 -5.710 1.00 13.11 H new ATOM 0 HD2 HIS A 146 -15.015 34.974 -6.034 1.00 14.46 H new ATOM 0 HE1 HIS A 146 -15.010 35.091 -1.821 1.00 14.54 H new ATOM 0 HE2 HIS A 146 -13.869 34.088 -3.862 1.00 14.96 H new ATOM 2261 N GLN A 147 -14.731 39.030 -5.712 1.00 13.15 N ATOM 2262 CA GLN A 147 -13.374 39.442 -5.368 1.00 13.06 C ATOM 2263 C GLN A 147 -12.925 38.900 -4.004 1.00 12.82 C ATOM 2264 O GLN A 147 -11.780 39.110 -3.608 1.00 13.08 O ATOM 2265 CB GLN A 147 -13.250 40.962 -5.398 1.00 14.01 C ATOM 2266 CG GLN A 147 -13.588 41.571 -6.750 1.00 14.38 C ATOM 2267 CD GLN A 147 -12.790 40.955 -7.885 1.00 14.79 C ATOM 2268 OE1 GLN A 147 -13.220 39.990 -8.515 1.00 14.85 O ATOM 2269 NE2 GLN A 147 -11.613 41.498 -8.146 1.00 15.24 N ATOM 0 H GLN A 147 -15.462 39.671 -5.403 1.00 13.15 H new ATOM 0 HA GLN A 147 -12.713 39.013 -6.121 1.00 13.06 H new ATOM 0 HB2 GLN A 147 -13.909 41.388 -4.642 1.00 14.01 H new ATOM 0 HB3 GLN A 147 -12.232 41.241 -5.127 1.00 14.01 H new ATOM 0 HG2 GLN A 147 -14.652 41.441 -6.947 1.00 14.38 H new ATOM 0 HG3 GLN A 147 -13.399 42.644 -6.718 1.00 14.38 H new ATOM 0 HE21 GLN A 147 -11.289 42.298 -7.603 1.00 15.24 H new ATOM 0 HE22 GLN A 147 -11.029 41.117 -8.891 1.00 15.24 H new ATOM 2278 N MET A 148 -13.837 38.231 -3.291 1.00 12.52 N ATOM 2279 CA MET A 148 -13.581 37.690 -1.939 1.00 12.47 C ATOM 2280 C MET A 148 -13.425 38.789 -0.890 1.00 13.37 C ATOM 2281 O MET A 148 -14.028 38.710 0.180 1.00 13.85 O ATOM 2282 CB MET A 148 -12.394 36.704 -1.932 1.00 11.69 C ATOM 2283 CG MET A 148 -11.788 36.426 -0.557 1.00 11.72 C ATOM 2284 SD MET A 148 -10.550 37.646 -0.056 1.00 11.68 S ATOM 2285 CE MET A 148 -9.313 37.430 -1.338 1.00 11.96 C ATOM 0 H MET A 148 -14.780 38.045 -3.631 1.00 12.52 H new ATOM 0 HA MET A 148 -14.468 37.123 -1.656 1.00 12.47 H new ATOM 0 HB2 MET A 148 -12.725 35.759 -2.364 1.00 11.69 H new ATOM 0 HB3 MET A 148 -11.613 37.096 -2.583 1.00 11.69 H new ATOM 0 HG2 MET A 148 -12.586 36.403 0.185 1.00 11.72 H new ATOM 0 HG3 MET A 148 -11.330 35.437 -0.563 1.00 11.72 H new ATOM 0 HE1 MET A 148 -8.322 37.399 -0.886 1.00 11.96 H new ATOM 0 HE2 MET A 148 -9.499 36.496 -1.869 1.00 11.96 H new ATOM 0 HE3 MET A 148 -9.366 38.263 -2.039 1.00 11.96 H new ATOM 2295 N LYS A 149 -12.626 39.804 -1.169 1.00 13.75 N ATOM 2296 CA LYS A 149 -12.568 40.958 -0.300 1.00 14.74 C ATOM 2297 C LYS A 149 -13.856 41.753 -0.440 1.00 15.59 C ATOM 2298 O LYS A 149 -14.444 42.188 0.546 1.00 16.38 O ATOM 2299 CB LYS A 149 -11.359 41.830 -0.636 1.00 15.07 C ATOM 2300 CG LYS A 149 -10.896 42.678 0.534 1.00 14.89 C ATOM 2301 CD LYS A 149 -10.548 41.795 1.718 1.00 14.96 C ATOM 2302 CE LYS A 149 -10.050 42.602 2.904 1.00 15.59 C ATOM 2303 NZ LYS A 149 -8.783 43.317 2.605 1.00 15.96 N ATOM 0 H LYS A 149 -12.015 39.850 -1.984 1.00 13.75 H new ATOM 0 HA LYS A 149 -12.459 40.624 0.732 1.00 14.74 H new ATOM 0 HB2 LYS A 149 -10.538 41.192 -0.963 1.00 15.07 H new ATOM 0 HB3 LYS A 149 -11.609 42.482 -1.473 1.00 15.07 H new ATOM 0 HG2 LYS A 149 -10.027 43.268 0.243 1.00 14.89 H new ATOM 0 HG3 LYS A 149 -11.679 43.382 0.814 1.00 14.89 H new ATOM 0 HD2 LYS A 149 -11.427 41.222 2.013 1.00 14.96 H new ATOM 0 HD3 LYS A 149 -9.784 41.077 1.422 1.00 14.96 H new ATOM 0 HE2 LYS A 149 -10.813 43.324 3.195 1.00 15.59 H new ATOM 0 HE3 LYS A 149 -9.898 41.938 3.755 1.00 15.59 H new ATOM 0 HZ1 LYS A 149 -8.384 43.699 3.486 1.00 15.96 H new ATOM 0 HZ2 LYS A 149 -8.104 42.656 2.176 1.00 15.96 H new ATOM 0 HZ3 LYS A 149 -8.972 44.097 1.944 1.00 15.96 H new ATOM 2317 N ASP A 150 -14.306 41.894 -1.681 1.00 15.52 N ATOM 2318 CA ASP A 150 -15.572 42.560 -1.975 1.00 16.41 C ATOM 2319 C ASP A 150 -16.718 41.555 -1.936 1.00 16.34 C ATOM 2320 O ASP A 150 -17.777 41.788 -2.519 1.00 17.13 O ATOM 2321 CB ASP A 150 -15.531 43.236 -3.349 1.00 16.67 C ATOM 2322 CG ASP A 150 -14.445 44.283 -3.462 1.00 17.24 C ATOM 2323 OD1 ASP A 150 -14.728 45.472 -3.209 1.00 17.41 O ATOM 2324 OD2 ASP A 150 -13.301 43.928 -3.816 1.00 17.63 O ATOM 0 H ASP A 150 -13.811 41.554 -2.505 1.00 15.52 H new ATOM 0 HA ASP A 150 -15.733 43.324 -1.215 1.00 16.41 H new ATOM 0 HB2 ASP A 150 -15.377 42.477 -4.116 1.00 16.67 H new ATOM 0 HB3 ASP A 150 -16.497 43.700 -3.548 1.00 16.67 H new ATOM 2329 N CYS A 151 -16.487 40.430 -1.263 1.00 15.51 N ATOM 2330 CA CYS A 151 -17.490 39.382 -1.121 1.00 15.54 C ATOM 2331 C CYS A 151 -18.760 39.969 -0.517 1.00 15.97 C ATOM 2332 O CYS A 151 -18.731 40.517 0.588 1.00 15.64 O ATOM 2333 CB CYS A 151 -16.938 38.260 -0.232 1.00 14.63 C ATOM 2334 SG CYS A 151 -17.934 36.751 -0.178 1.00 14.46 S ATOM 0 H CYS A 151 -15.601 40.221 -0.803 1.00 15.51 H new ATOM 0 HA CYS A 151 -17.729 38.966 -2.100 1.00 15.54 H new ATOM 0 HB2 CYS A 151 -15.938 38.002 -0.580 1.00 14.63 H new ATOM 0 HB3 CYS A 151 -16.833 38.642 0.783 1.00 14.63 H new ATOM 2339 N THR A 152 -19.854 39.884 -1.261 1.00 16.85 N ATOM 2340 CA THR A 152 -21.115 40.469 -0.841 1.00 17.48 C ATOM 2341 C THR A 152 -21.631 39.815 0.438 1.00 17.79 C ATOM 2342 O THR A 152 -22.017 38.645 0.440 1.00 18.21 O ATOM 2343 CB THR A 152 -22.174 40.331 -1.951 1.00 18.43 C ATOM 2344 OG1 THR A 152 -21.623 40.769 -3.202 1.00 18.64 O ATOM 2345 CG2 THR A 152 -23.416 41.152 -1.625 1.00 18.95 C ATOM 0 H THR A 152 -19.891 39.412 -2.164 1.00 16.85 H new ATOM 0 HA THR A 152 -20.935 41.526 -0.644 1.00 17.48 H new ATOM 0 HB THR A 152 -22.462 39.282 -2.022 1.00 18.43 H new ATOM 0 HG1 THR A 152 -22.298 40.678 -3.906 1.00 18.64 H new ATOM 0 HG21 THR A 152 -24.148 41.037 -2.424 1.00 18.95 H new ATOM 0 HG22 THR A 152 -23.846 40.804 -0.686 1.00 18.95 H new ATOM 0 HG23 THR A 152 -23.143 42.203 -1.531 1.00 18.95 H new ATOM 2353 N GLU A 153 -21.615 40.571 1.524 1.00 17.71 N ATOM 2354 CA GLU A 153 -22.119 40.092 2.799 1.00 18.13 C ATOM 2355 C GLU A 153 -23.214 41.035 3.280 1.00 19.12 C ATOM 2356 O GLU A 153 -23.041 42.254 3.278 1.00 19.35 O ATOM 2357 CB GLU A 153 -20.978 40.003 3.820 1.00 17.70 C ATOM 2358 CG GLU A 153 -21.080 38.807 4.759 1.00 17.60 C ATOM 2359 CD GLU A 153 -22.285 38.869 5.672 1.00 17.59 C ATOM 2360 OE1 GLU A 153 -22.135 39.329 6.822 1.00 17.64 O ATOM 2361 OE2 GLU A 153 -23.386 38.459 5.249 1.00 17.65 O ATOM 0 H GLU A 153 -21.256 41.525 1.546 1.00 17.71 H new ATOM 0 HA GLU A 153 -22.537 39.092 2.683 1.00 18.13 H new ATOM 0 HB2 GLU A 153 -20.029 39.953 3.286 1.00 17.70 H new ATOM 0 HB3 GLU A 153 -20.962 40.917 4.413 1.00 17.70 H new ATOM 0 HG2 GLU A 153 -21.126 37.892 4.168 1.00 17.60 H new ATOM 0 HG3 GLU A 153 -20.176 38.750 5.365 1.00 17.60 H new ATOM 2368 N ARG A 154 -24.338 40.471 3.688 1.00 19.80 N ATOM 2369 CA ARG A 154 -25.519 41.264 3.994 1.00 20.84 C ATOM 2370 C ARG A 154 -25.745 41.369 5.499 1.00 21.28 C ATOM 2371 O ARG A 154 -26.394 42.303 5.974 1.00 21.68 O ATOM 2372 CB ARG A 154 -26.746 40.646 3.321 1.00 21.38 C ATOM 2373 CG ARG A 154 -27.986 41.522 3.377 1.00 21.89 C ATOM 2374 CD ARG A 154 -29.171 40.850 2.703 1.00 22.33 C ATOM 2375 NE ARG A 154 -29.573 39.623 3.389 1.00 22.67 N ATOM 2376 CZ ARG A 154 -30.510 38.793 2.934 1.00 23.08 C ATOM 2377 NH1 ARG A 154 -31.128 39.044 1.787 1.00 23.21 N ATOM 2378 NH2 ARG A 154 -30.830 37.707 3.625 1.00 23.48 N ATOM 0 H ARG A 154 -24.459 39.466 3.815 1.00 19.80 H new ATOM 0 HA ARG A 154 -25.360 42.271 3.609 1.00 20.84 H new ATOM 0 HB2 ARG A 154 -26.509 40.436 2.278 1.00 21.38 H new ATOM 0 HB3 ARG A 154 -26.966 39.690 3.797 1.00 21.38 H new ATOM 0 HG2 ARG A 154 -28.232 41.740 4.416 1.00 21.89 H new ATOM 0 HG3 ARG A 154 -27.782 42.476 2.891 1.00 21.89 H new ATOM 0 HD2 ARG A 154 -30.013 41.542 2.677 1.00 22.33 H new ATOM 0 HD3 ARG A 154 -28.916 40.619 1.669 1.00 22.33 H new ATOM 0 HE ARG A 154 -29.109 39.389 4.267 1.00 22.67 H new ATOM 0 HH11 ARG A 154 -30.886 39.876 1.249 1.00 23.21 H new ATOM 0 HH12 ARG A 154 -31.845 38.405 1.443 1.00 23.21 H new ATOM 0 HH21 ARG A 154 -30.358 37.506 4.507 1.00 23.48 H new ATOM 0 HH22 ARG A 154 -31.548 37.073 3.275 1.00 23.48 H new ATOM 2392 N GLN A 155 -25.206 40.416 6.245 1.00 21.32 N ATOM 2393 CA GLN A 155 -25.415 40.378 7.687 1.00 21.85 C ATOM 2394 C GLN A 155 -24.597 41.466 8.373 1.00 22.14 C ATOM 2395 O GLN A 155 -25.067 42.119 9.308 1.00 22.34 O ATOM 2396 CB GLN A 155 -25.051 39.002 8.239 1.00 21.93 C ATOM 2397 CG GLN A 155 -25.764 37.863 7.527 1.00 22.12 C ATOM 2398 CD GLN A 155 -25.356 36.495 8.037 1.00 22.30 C ATOM 2399 OE1 GLN A 155 -25.335 35.519 7.282 1.00 22.37 O ATOM 2400 NE2 GLN A 155 -25.042 36.409 9.318 1.00 22.51 N ATOM 0 H GLN A 155 -24.624 39.662 5.880 1.00 21.32 H new ATOM 0 HA GLN A 155 -26.470 40.563 7.891 1.00 21.85 H new ATOM 0 HB2 GLN A 155 -23.974 38.857 8.154 1.00 21.93 H new ATOM 0 HB3 GLN A 155 -25.295 38.967 9.301 1.00 21.93 H new ATOM 0 HG2 GLN A 155 -26.840 37.983 7.649 1.00 22.12 H new ATOM 0 HG3 GLN A 155 -25.556 37.923 6.459 1.00 22.12 H new ATOM 0 HE21 GLN A 155 -25.072 37.241 9.907 1.00 22.51 H new ATOM 0 HE22 GLN A 155 -24.769 35.511 9.717 1.00 22.51 H new ATOM 2409 N ALA A 156 -23.372 41.659 7.906 1.00 22.27 N ATOM 2410 CA ALA A 156 -22.525 42.735 8.402 1.00 22.67 C ATOM 2411 C ALA A 156 -22.865 44.048 7.701 1.00 23.02 C ATOM 2412 O ALA A 156 -22.101 44.537 6.867 1.00 23.30 O ATOM 2413 CB ALA A 156 -21.056 42.389 8.208 1.00 22.74 C ATOM 0 H ALA A 156 -22.941 41.083 7.183 1.00 22.27 H new ATOM 0 HA ALA A 156 -22.710 42.857 9.469 1.00 22.67 H new ATOM 0 HB1 ALA A 156 -20.438 43.204 8.584 1.00 22.74 H new ATOM 0 HB2 ALA A 156 -20.822 41.475 8.753 1.00 22.74 H new ATOM 0 HB3 ALA A 156 -20.854 42.240 7.147 1.00 22.74 H new ATOM 2419 N ASN A 157 -24.020 44.605 8.049 1.00 23.11 N ATOM 2420 CA ASN A 157 -24.516 45.830 7.428 1.00 23.57 C ATOM 2421 C ASN A 157 -23.629 47.018 7.785 1.00 23.76 C ATOM 2422 O ASN A 157 -23.741 47.522 8.924 1.00 23.91 O ATOM 2423 CB ASN A 157 -25.956 46.099 7.877 1.00 23.80 C ATOM 2424 CG ASN A 157 -26.580 47.291 7.176 1.00 23.98 C ATOM 2425 OD1 ASN A 157 -27.230 47.148 6.142 1.00 23.92 O ATOM 2426 ND2 ASN A 157 -26.395 48.476 7.734 1.00 24.30 N ATOM 2427 OXT ASN A 157 -22.826 47.447 6.930 1.00 23.85 O ATOM 0 H ASN A 157 -24.637 44.223 8.766 1.00 23.11 H new ATOM 0 HA ASN A 157 -24.495 45.699 6.346 1.00 23.57 H new ATOM 0 HB2 ASN A 157 -26.562 45.213 7.686 1.00 23.80 H new ATOM 0 HB3 ASN A 157 -25.970 46.269 8.954 1.00 23.80 H new ATOM 0 HD21 ASN A 157 -26.798 49.310 7.306 1.00 24.30 H new ATOM 0 HD22 ASN A 157 -25.850 48.556 8.592 1.00 24.30 H new TER 2434 ASN A 157 HETATM 2435 ZN ZN A 201 -6.865 20.910 1.429 1.00 9.38 ZN HETATM 2436 ZN ZN A 202 -18.000 35.788 -2.263 1.00 13.43 ZN