USER MOD reduce.3.24.130724 H: found=0, std=0, add=1403, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 61 LYS NZ :NH3+ 174:sc= 1.15 (180deg=-0.0305) USER MOD Set 1.2: B 67 GLN : amide:sc= 1.01 K(o=2.2,f=-6.9!) USER MOD Set 2.1: B 44 GLN : amide:sc= 0.654 K(o=1.1,f=0.25) USER MOD Set 2.2: B 45 GLN : amide:sc= 0.485 K(o=1.1,f=0.25) USER MOD Set 3.1: A 85 LYS NZ :NH3+ -170:sc= 2.31 (180deg=0.987) USER MOD Set 3.2: B 74 ASN : amide:sc= 1.94 K(o=4.3,f=-9.6!) USER MOD Set 4.1: A 44 GLN : amide:sc= 0.717 K(o=1.5,f=-2.6) USER MOD Set 4.2: A 45 GLN : amide:sc= 0.784 K(o=1.5,f=-2.6) USER MOD Single : A 7 THR OG1 : rot -156:sc= 1.19 USER MOD Single : A 12 SER OG : rot -33:sc= 1.2 USER MOD Single : A 15 THR OG1 : rot 124:sc= 1.21 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0436 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.8 K(o=0.8,f=-2.5!) USER MOD Single : A 30 LYS NZ :NH3+ 148:sc= 2.2 (180deg=0.744) USER MOD Single : A 32 SER OG : rot 175:sc= 1.14 USER MOD Single : A 34 SER OG : rot -148:sc= 1.13 USER MOD Single : A 36 ASN : amide:sc= 0.836 K(o=0.84,f=-0.18) USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= -1.02! (180deg=-1.85!) USER MOD Single : A 43 THR OG1 : rot 76:sc= 0.149 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= 1.16 (180deg=-0.0343!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= 2.48 (180deg=2.22) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -143:sc= 0.952 USER MOD Single : A 66 ASN : amide:sc= 1.17 K(o=1.2,f=-3!) USER MOD Single : A 67 GLN : amide:sc=-0.00972 K(o=-0.0097,f=-1.6!) USER MOD Single : A 69 SER OG : rot 42:sc= 1.21 USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 0.00604 (180deg=-0.156) USER MOD Single : A 74 ASN : amide:sc= -0.0288 K(o=-0.029,f=-0.68) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.209 USER MOD Single : A 89 LYS NZ :NH3+ 150:sc= 0.382! (180deg=-0.103!) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0.143 USER MOD Single : B 12 SER OG : rot -47:sc= 1.23 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot -171:sc= 1.26 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.923 USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 159:sc= 1.28 USER MOD Single : B 34 SER OG : rot -74:sc= 1.18 USER MOD Single : B 36 ASN : amide:sc= 1.04 K(o=1,f=-0.29) USER MOD Single : B 39 LYS NZ :NH3+ 149:sc= 1.26 (180deg=-2.01!) USER MOD Single : B 43 THR OG1 : rot 88:sc= 1.18 USER MOD Single : B 48 HIS : no HE2:sc= -0.0119 K(o=-0.012,f=-2.6!) USER MOD Single : B 51 LYS NZ :NH3+ -159:sc= 1.2 (180deg=1) USER MOD Single : B 55 SER OG : rot -137:sc= 1.27 USER MOD Single : B 59 LYS NZ :NH3+ -179:sc= 1.5 (180deg=1.32) USER MOD Single : B 60 MET CE :methyl 180:sc= -0.0645 (180deg=-0.0645) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= -0.419 K(o=-0.42,f=-1.9) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 76 TYR OH : rot 30:sc= 0 USER MOD Single : B 85 LYS NZ :NH3+ -158:sc= -0.36! (180deg=-0.872!) USER MOD Single : B 89 LYS NZ :NH3+ -130:sc= 1.1 (180deg=0.188) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 7.099 -17.342 -16.283 1.00 1.73 N ATOM 41 CA GLU A 4 7.558 -17.656 -14.946 1.00 1.89 C ATOM 42 C GLU A 4 6.529 -17.177 -13.909 1.00 1.79 C ATOM 43 O GLU A 4 6.180 -15.997 -13.897 1.00 1.74 O ATOM 44 CB GLU A 4 8.971 -17.077 -14.710 1.00 2.29 C ATOM 45 CG GLU A 4 9.335 -15.819 -15.525 1.00 2.54 C ATOM 46 CD GLU A 4 9.837 -16.145 -16.932 1.00 3.24 C ATOM 47 OE1 GLU A 4 11.061 -16.340 -17.072 1.00 3.76 O ATOM 48 OE2 GLU A 4 8.970 -16.231 -17.832 1.00 4.20 O ATOM 0 HA GLU A 4 7.644 -18.737 -14.831 1.00 1.89 H new ATOM 0 HB2 GLU A 4 9.072 -16.840 -13.651 1.00 2.29 H new ATOM 0 HB3 GLU A 4 9.702 -17.854 -14.934 1.00 2.29 H new ATOM 0 HG2 GLU A 4 8.460 -15.174 -15.598 1.00 2.54 H new ATOM 0 HG3 GLU A 4 10.102 -15.257 -14.992 1.00 2.54 H new ATOM 55 N PRO A 5 6.017 -18.068 -13.042 1.00 2.00 N ATOM 56 CA PRO A 5 5.011 -17.712 -12.058 1.00 2.12 C ATOM 57 C PRO A 5 5.653 -16.888 -10.939 1.00 1.92 C ATOM 58 O PRO A 5 6.310 -17.436 -10.056 1.00 2.36 O ATOM 59 CB PRO A 5 4.443 -19.044 -11.558 1.00 2.60 C ATOM 60 CG PRO A 5 5.614 -20.014 -11.723 1.00 2.71 C ATOM 61 CD PRO A 5 6.326 -19.489 -12.971 1.00 2.39 C ATOM 0 HA PRO A 5 4.213 -17.092 -12.466 1.00 2.12 H new ATOM 0 HB2 PRO A 5 4.119 -18.978 -10.519 1.00 2.60 H new ATOM 0 HB3 PRO A 5 3.577 -19.356 -12.142 1.00 2.60 H new ATOM 0 HG2 PRO A 5 6.269 -20.007 -10.852 1.00 2.71 H new ATOM 0 HG3 PRO A 5 5.272 -21.040 -11.856 1.00 2.71 H new ATOM 0 HD2 PRO A 5 7.402 -19.651 -12.904 1.00 2.39 H new ATOM 0 HD3 PRO A 5 5.981 -20.008 -13.865 1.00 2.39 H new ATOM 69 N LEU A 6 5.466 -15.567 -10.980 1.00 1.44 N ATOM 70 CA LEU A 6 5.940 -14.670 -9.936 1.00 1.39 C ATOM 71 C LEU A 6 5.309 -15.026 -8.583 1.00 1.39 C ATOM 72 O LEU A 6 4.207 -15.568 -8.511 1.00 1.41 O ATOM 73 CB LEU A 6 5.640 -13.214 -10.323 1.00 1.39 C ATOM 74 CG LEU A 6 6.403 -12.733 -11.571 1.00 1.16 C ATOM 75 CD1 LEU A 6 5.858 -11.357 -11.982 1.00 1.20 C ATOM 76 CD2 LEU A 6 7.907 -12.597 -11.299 1.00 1.46 C ATOM 0 H LEU A 6 4.980 -15.093 -11.741 1.00 1.44 H new ATOM 0 HA LEU A 6 7.019 -14.785 -9.835 1.00 1.39 H new ATOM 0 HB2 LEU A 6 4.570 -13.108 -10.500 1.00 1.39 H new ATOM 0 HB3 LEU A 6 5.890 -12.566 -9.483 1.00 1.39 H new ATOM 0 HG LEU A 6 6.261 -13.470 -12.361 1.00 1.16 H new ATOM 0 HD11 LEU A 6 6.390 -11.004 -12.865 1.00 1.20 H new ATOM 0 HD12 LEU A 6 4.795 -11.439 -12.207 1.00 1.20 H new ATOM 0 HD13 LEU A 6 6.002 -10.650 -11.165 1.00 1.20 H new ATOM 0 HD21 LEU A 6 8.411 -12.256 -12.203 1.00 1.46 H new ATOM 0 HD22 LEU A 6 8.068 -11.874 -10.499 1.00 1.46 H new ATOM 0 HD23 LEU A 6 8.312 -13.564 -11.001 1.00 1.46 H new ATOM 88 N THR A 7 6.028 -14.718 -7.502 1.00 1.43 N ATOM 89 CA THR A 7 5.582 -14.958 -6.136 1.00 1.39 C ATOM 90 C THR A 7 4.420 -14.019 -5.813 1.00 1.13 C ATOM 91 O THR A 7 4.354 -12.921 -6.362 1.00 1.11 O ATOM 92 CB THR A 7 6.749 -14.794 -5.146 1.00 1.53 C ATOM 93 OG1 THR A 7 6.309 -15.036 -3.827 1.00 2.00 O ATOM 94 CG2 THR A 7 7.370 -13.397 -5.206 1.00 1.30 C ATOM 0 H THR A 7 6.951 -14.288 -7.556 1.00 1.43 H new ATOM 0 HA THR A 7 5.229 -15.985 -6.040 1.00 1.39 H new ATOM 0 HB THR A 7 7.509 -15.520 -5.434 1.00 1.53 H new ATOM 0 HG1 THR A 7 6.906 -14.584 -3.195 1.00 2.00 H new ATOM 0 HG21 THR A 7 8.189 -13.332 -4.489 1.00 1.30 H new ATOM 0 HG22 THR A 7 7.751 -13.211 -6.210 1.00 1.30 H new ATOM 0 HG23 THR A 7 6.613 -12.652 -4.961 1.00 1.30 H new ATOM 102 N GLU A 8 3.527 -14.452 -4.917 1.00 1.22 N ATOM 103 CA GLU A 8 2.271 -13.801 -4.567 1.00 1.13 C ATOM 104 C GLU A 8 2.407 -12.281 -4.509 1.00 0.94 C ATOM 105 O GLU A 8 1.702 -11.551 -5.204 1.00 0.94 O ATOM 106 CB GLU A 8 1.800 -14.360 -3.217 1.00 1.25 C ATOM 107 CG GLU A 8 0.477 -13.743 -2.752 1.00 1.58 C ATOM 108 CD GLU A 8 0.148 -14.211 -1.342 1.00 2.02 C ATOM 109 OE1 GLU A 8 -0.085 -15.427 -1.187 1.00 2.05 O ATOM 110 OE2 GLU A 8 0.187 -13.348 -0.438 1.00 3.20 O ATOM 0 H GLU A 8 3.674 -15.313 -4.391 1.00 1.22 H new ATOM 0 HA GLU A 8 1.534 -14.012 -5.342 1.00 1.13 H new ATOM 0 HB2 GLU A 8 1.684 -15.441 -3.296 1.00 1.25 H new ATOM 0 HB3 GLU A 8 2.567 -14.176 -2.464 1.00 1.25 H new ATOM 0 HG2 GLU A 8 0.546 -12.655 -2.776 1.00 1.58 H new ATOM 0 HG3 GLU A 8 -0.325 -14.026 -3.434 1.00 1.58 H new ATOM 117 N LEU A 9 3.297 -11.795 -3.644 1.00 0.84 N ATOM 118 CA LEU A 9 3.393 -10.371 -3.392 1.00 0.78 C ATOM 119 C LEU A 9 3.946 -9.630 -4.612 1.00 0.73 C ATOM 120 O LEU A 9 3.349 -8.632 -5.011 1.00 0.70 O ATOM 121 CB LEU A 9 4.120 -10.102 -2.066 1.00 0.81 C ATOM 122 CG LEU A 9 3.103 -10.196 -0.909 1.00 0.88 C ATOM 123 CD1 LEU A 9 3.759 -10.523 0.434 1.00 1.20 C ATOM 124 CD2 LEU A 9 2.347 -8.872 -0.730 1.00 1.54 C ATOM 0 H LEU A 9 3.954 -12.367 -3.113 1.00 0.84 H new ATOM 0 HA LEU A 9 2.397 -9.952 -3.253 1.00 0.78 H new ATOM 0 HB2 LEU A 9 4.922 -10.826 -1.922 1.00 0.81 H new ATOM 0 HB3 LEU A 9 4.581 -9.115 -2.083 1.00 0.81 H new ATOM 0 HG LEU A 9 2.426 -11.003 -1.187 1.00 0.88 H new ATOM 0 HD11 LEU A 9 2.994 -10.576 1.209 1.00 1.20 H new ATOM 0 HD12 LEU A 9 4.272 -11.482 0.364 1.00 1.20 H new ATOM 0 HD13 LEU A 9 4.478 -9.744 0.687 1.00 1.20 H new ATOM 0 HD21 LEU A 9 1.637 -8.967 0.092 1.00 1.54 H new ATOM 0 HD22 LEU A 9 3.056 -8.075 -0.507 1.00 1.54 H new ATOM 0 HD23 LEU A 9 1.810 -8.633 -1.648 1.00 1.54 H new ATOM 136 N GLU A 10 5.021 -10.129 -5.236 1.00 0.78 N ATOM 137 CA GLU A 10 5.593 -9.564 -6.459 1.00 0.78 C ATOM 138 C GLU A 10 4.521 -9.455 -7.558 1.00 0.77 C ATOM 139 O GLU A 10 4.342 -8.405 -8.179 1.00 0.81 O ATOM 140 CB GLU A 10 6.794 -10.409 -6.921 1.00 0.87 C ATOM 141 CG GLU A 10 7.975 -10.349 -5.929 1.00 1.66 C ATOM 142 CD GLU A 10 9.180 -11.193 -6.345 1.00 1.76 C ATOM 143 OE1 GLU A 10 9.235 -11.545 -7.542 1.00 1.85 O ATOM 144 OE2 GLU A 10 9.990 -11.526 -5.448 1.00 2.94 O ATOM 0 H GLU A 10 5.524 -10.950 -4.898 1.00 0.78 H new ATOM 0 HA GLU A 10 5.951 -8.556 -6.251 1.00 0.78 H new ATOM 0 HB2 GLU A 10 6.479 -11.445 -7.044 1.00 0.87 H new ATOM 0 HB3 GLU A 10 7.126 -10.059 -7.898 1.00 0.87 H new ATOM 0 HG2 GLU A 10 8.291 -9.312 -5.819 1.00 1.66 H new ATOM 0 HG3 GLU A 10 7.631 -10.683 -4.950 1.00 1.66 H new ATOM 151 N GLU A 11 3.785 -10.547 -7.762 1.00 0.76 N ATOM 152 CA GLU A 11 2.609 -10.613 -8.617 1.00 0.78 C ATOM 153 C GLU A 11 1.643 -9.474 -8.256 1.00 0.74 C ATOM 154 O GLU A 11 1.386 -8.588 -9.073 1.00 0.79 O ATOM 155 CB GLU A 11 2.027 -12.038 -8.489 1.00 0.87 C ATOM 156 CG GLU A 11 0.521 -12.218 -8.675 1.00 1.73 C ATOM 157 CD GLU A 11 0.004 -11.596 -9.961 1.00 2.42 C ATOM 158 OE1 GLU A 11 0.447 -12.058 -11.033 1.00 2.21 O ATOM 159 OE2 GLU A 11 -0.814 -10.660 -9.836 1.00 3.85 O ATOM 0 H GLU A 11 4.002 -11.440 -7.319 1.00 0.76 H new ATOM 0 HA GLU A 11 2.839 -10.455 -9.671 1.00 0.78 H new ATOM 0 HB2 GLU A 11 2.531 -12.671 -9.219 1.00 0.87 H new ATOM 0 HB3 GLU A 11 2.289 -12.418 -7.502 1.00 0.87 H new ATOM 0 HG2 GLU A 11 0.285 -13.282 -8.672 1.00 1.73 H new ATOM 0 HG3 GLU A 11 -0.000 -11.773 -7.827 1.00 1.73 H new ATOM 166 N SER A 12 1.158 -9.456 -7.010 1.00 0.72 N ATOM 167 CA SER A 12 0.133 -8.514 -6.580 1.00 0.74 C ATOM 168 C SER A 12 0.562 -7.064 -6.832 1.00 0.72 C ATOM 169 O SER A 12 -0.235 -6.252 -7.307 1.00 0.76 O ATOM 170 CB SER A 12 -0.268 -8.762 -5.120 1.00 0.77 C ATOM 171 OG SER A 12 0.729 -8.327 -4.220 1.00 1.48 O ATOM 0 H SER A 12 1.467 -10.094 -6.277 1.00 0.72 H new ATOM 0 HA SER A 12 -0.757 -8.684 -7.186 1.00 0.74 H new ATOM 0 HB2 SER A 12 -1.202 -8.242 -4.907 1.00 0.77 H new ATOM 0 HB3 SER A 12 -0.454 -9.826 -4.970 1.00 0.77 H new ATOM 0 HG SER A 12 1.613 -8.458 -4.622 1.00 1.48 H new ATOM 177 N ILE A 13 1.824 -6.732 -6.529 1.00 0.69 N ATOM 178 CA ILE A 13 2.303 -5.379 -6.746 1.00 0.70 C ATOM 179 C ILE A 13 2.348 -5.039 -8.226 1.00 0.70 C ATOM 180 O ILE A 13 1.911 -3.947 -8.573 1.00 0.71 O ATOM 181 CB ILE A 13 3.556 -4.991 -5.944 1.00 0.68 C ATOM 182 CG1 ILE A 13 4.743 -5.956 -6.051 1.00 0.72 C ATOM 183 CG2 ILE A 13 3.138 -4.849 -4.472 1.00 0.63 C ATOM 184 CD1 ILE A 13 5.717 -5.606 -7.167 1.00 0.76 C ATOM 0 H ILE A 13 2.514 -7.375 -6.140 1.00 0.69 H new ATOM 0 HA ILE A 13 1.556 -4.718 -6.306 1.00 0.70 H new ATOM 0 HB ILE A 13 3.925 -4.061 -6.376 1.00 0.68 H new ATOM 0 HG12 ILE A 13 5.279 -5.965 -5.102 1.00 0.72 H new ATOM 0 HG13 ILE A 13 4.366 -6.966 -6.213 1.00 0.72 H new ATOM 0 HG21 ILE A 13 4.006 -4.573 -3.872 1.00 0.63 H new ATOM 0 HG22 ILE A 13 2.375 -4.075 -4.383 1.00 0.63 H new ATOM 0 HG23 ILE A 13 2.736 -5.797 -4.115 1.00 0.63 H new ATOM 0 HD11 ILE A 13 6.530 -6.332 -7.182 1.00 0.76 H new ATOM 0 HD12 ILE A 13 5.196 -5.626 -8.124 1.00 0.76 H new ATOM 0 HD13 ILE A 13 6.124 -4.609 -6.996 1.00 0.76 H new ATOM 196 N GLU A 14 2.783 -5.947 -9.110 1.00 0.70 N ATOM 197 CA GLU A 14 2.664 -5.658 -10.536 1.00 0.69 C ATOM 198 C GLU A 14 1.190 -5.395 -10.866 1.00 0.70 C ATOM 199 O GLU A 14 0.848 -4.330 -11.374 1.00 0.70 O ATOM 200 CB GLU A 14 3.278 -6.760 -11.411 1.00 0.72 C ATOM 201 CG GLU A 14 3.906 -6.147 -12.678 1.00 0.71 C ATOM 202 CD GLU A 14 2.935 -5.294 -13.493 1.00 1.47 C ATOM 203 OE1 GLU A 14 1.955 -5.874 -14.006 1.00 2.22 O ATOM 204 OE2 GLU A 14 3.187 -4.071 -13.581 1.00 2.52 O ATOM 0 H GLU A 14 3.201 -6.847 -8.874 1.00 0.70 H new ATOM 0 HA GLU A 14 3.241 -4.763 -10.767 1.00 0.69 H new ATOM 0 HB2 GLU A 14 4.037 -7.302 -10.846 1.00 0.72 H new ATOM 0 HB3 GLU A 14 2.511 -7.483 -11.690 1.00 0.72 H new ATOM 0 HG2 GLU A 14 4.760 -5.534 -12.390 1.00 0.71 H new ATOM 0 HG3 GLU A 14 4.288 -6.950 -13.309 1.00 0.71 H new ATOM 211 N THR A 15 0.313 -6.324 -10.480 1.00 0.76 N ATOM 212 CA THR A 15 -1.133 -6.236 -10.661 1.00 0.84 C ATOM 213 C THR A 15 -1.716 -4.848 -10.330 1.00 0.83 C ATOM 214 O THR A 15 -2.544 -4.352 -11.089 1.00 0.98 O ATOM 215 CB THR A 15 -1.805 -7.408 -9.919 1.00 1.04 C ATOM 216 OG1 THR A 15 -1.946 -8.490 -10.813 1.00 2.06 O ATOM 217 CG2 THR A 15 -3.175 -7.098 -9.309 1.00 0.87 C ATOM 0 H THR A 15 0.602 -7.186 -10.018 1.00 0.76 H new ATOM 0 HA THR A 15 -1.361 -6.339 -11.722 1.00 0.84 H new ATOM 0 HB THR A 15 -1.150 -7.638 -9.079 1.00 1.04 H new ATOM 0 HG1 THR A 15 -1.504 -9.282 -10.441 1.00 2.06 H new ATOM 0 HG21 THR A 15 -3.561 -7.987 -8.811 1.00 0.87 H new ATOM 0 HG22 THR A 15 -3.076 -6.290 -8.584 1.00 0.87 H new ATOM 0 HG23 THR A 15 -3.864 -6.796 -10.097 1.00 0.87 H new ATOM 225 N VAL A 16 -1.311 -4.199 -9.231 1.00 0.71 N ATOM 226 CA VAL A 16 -1.743 -2.822 -8.962 1.00 0.69 C ATOM 227 C VAL A 16 -0.915 -1.783 -9.730 1.00 0.70 C ATOM 228 O VAL A 16 -1.461 -0.779 -10.192 1.00 0.74 O ATOM 229 CB VAL A 16 -1.849 -2.499 -7.461 1.00 0.62 C ATOM 230 CG1 VAL A 16 -2.894 -3.395 -6.789 1.00 0.57 C ATOM 231 CG2 VAL A 16 -0.528 -2.625 -6.705 1.00 0.68 C ATOM 0 H VAL A 16 -0.694 -4.598 -8.523 1.00 0.71 H new ATOM 0 HA VAL A 16 -2.760 -2.754 -9.349 1.00 0.69 H new ATOM 0 HB VAL A 16 -2.149 -1.452 -7.411 1.00 0.62 H new ATOM 0 HG11 VAL A 16 -2.954 -3.151 -5.728 1.00 0.57 H new ATOM 0 HG12 VAL A 16 -3.866 -3.232 -7.254 1.00 0.57 H new ATOM 0 HG13 VAL A 16 -2.606 -4.440 -6.906 1.00 0.57 H new ATOM 0 HG21 VAL A 16 -0.685 -2.381 -5.654 1.00 0.68 H new ATOM 0 HG22 VAL A 16 -0.157 -3.646 -6.789 1.00 0.68 H new ATOM 0 HG23 VAL A 16 0.202 -1.937 -7.131 1.00 0.68 H new ATOM 241 N VAL A 17 0.402 -1.982 -9.848 1.00 0.66 N ATOM 242 CA VAL A 17 1.306 -1.055 -10.519 1.00 0.66 C ATOM 243 C VAL A 17 0.865 -0.826 -11.967 1.00 0.65 C ATOM 244 O VAL A 17 0.890 0.311 -12.436 1.00 0.70 O ATOM 245 CB VAL A 17 2.768 -1.522 -10.392 1.00 0.68 C ATOM 246 CG1 VAL A 17 3.697 -0.798 -11.371 1.00 0.71 C ATOM 247 CG2 VAL A 17 3.287 -1.247 -8.971 1.00 0.71 C ATOM 0 H VAL A 17 0.872 -2.806 -9.473 1.00 0.66 H new ATOM 0 HA VAL A 17 1.255 -0.085 -10.024 1.00 0.66 H new ATOM 0 HB VAL A 17 2.774 -2.588 -10.618 1.00 0.68 H new ATOM 0 HG11 VAL A 17 4.716 -1.162 -11.242 1.00 0.71 H new ATOM 0 HG12 VAL A 17 3.369 -0.990 -12.393 1.00 0.71 H new ATOM 0 HG13 VAL A 17 3.667 0.274 -11.176 1.00 0.71 H new ATOM 0 HG21 VAL A 17 4.322 -1.581 -8.891 1.00 0.71 H new ATOM 0 HG22 VAL A 17 3.233 -0.178 -8.765 1.00 0.71 H new ATOM 0 HG23 VAL A 17 2.675 -1.787 -8.249 1.00 0.71 H new ATOM 257 N THR A 18 0.434 -1.870 -12.674 1.00 0.63 N ATOM 258 CA THR A 18 -0.077 -1.729 -14.030 1.00 0.65 C ATOM 259 C THR A 18 -1.296 -0.790 -14.062 1.00 0.61 C ATOM 260 O THR A 18 -1.301 0.183 -14.821 1.00 0.68 O ATOM 261 CB THR A 18 -0.290 -3.112 -14.674 1.00 0.69 C ATOM 262 OG1 THR A 18 -0.690 -2.968 -16.021 1.00 0.75 O ATOM 263 CG2 THR A 18 -1.307 -3.997 -13.950 1.00 0.63 C ATOM 0 H THR A 18 0.430 -2.828 -12.324 1.00 0.63 H new ATOM 0 HA THR A 18 0.664 -1.237 -14.660 1.00 0.65 H new ATOM 0 HB THR A 18 0.675 -3.614 -14.600 1.00 0.69 H new ATOM 0 HG1 THR A 18 -0.821 -3.854 -16.420 1.00 0.75 H new ATOM 0 HG21 THR A 18 -1.395 -4.951 -14.470 1.00 0.63 H new ATOM 0 HG22 THR A 18 -0.974 -4.171 -12.927 1.00 0.63 H new ATOM 0 HG23 THR A 18 -2.277 -3.500 -13.937 1.00 0.63 H new ATOM 271 N THR A 19 -2.304 -1.013 -13.206 1.00 0.58 N ATOM 272 CA THR A 19 -3.477 -0.153 -13.112 1.00 0.62 C ATOM 273 C THR A 19 -3.052 1.286 -12.804 1.00 0.66 C ATOM 274 O THR A 19 -3.445 2.228 -13.494 1.00 0.76 O ATOM 275 CB THR A 19 -4.412 -0.709 -12.027 1.00 0.63 C ATOM 276 OG1 THR A 19 -4.400 -2.119 -12.078 1.00 0.66 O ATOM 277 CG2 THR A 19 -5.848 -0.207 -12.200 1.00 0.82 C ATOM 0 H THR A 19 -2.322 -1.801 -12.559 1.00 0.58 H new ATOM 0 HA THR A 19 -4.011 -0.139 -14.062 1.00 0.62 H new ATOM 0 HB THR A 19 -4.049 -0.359 -11.060 1.00 0.63 H new ATOM 0 HG1 THR A 19 -4.994 -2.476 -11.386 1.00 0.66 H new ATOM 0 HG21 THR A 19 -6.476 -0.624 -11.413 1.00 0.82 H new ATOM 0 HG22 THR A 19 -5.863 0.881 -12.139 1.00 0.82 H new ATOM 0 HG23 THR A 19 -6.229 -0.521 -13.172 1.00 0.82 H new ATOM 285 N PHE A 20 -2.221 1.438 -11.769 1.00 0.67 N ATOM 286 CA PHE A 20 -1.647 2.711 -11.370 1.00 0.77 C ATOM 287 C PHE A 20 -1.048 3.417 -12.586 1.00 0.80 C ATOM 288 O PHE A 20 -1.466 4.523 -12.913 1.00 0.86 O ATOM 289 CB PHE A 20 -0.613 2.482 -10.259 1.00 0.91 C ATOM 290 CG PHE A 20 0.265 3.679 -9.957 1.00 1.21 C ATOM 291 CD1 PHE A 20 -0.198 4.696 -9.104 1.00 2.33 C ATOM 292 CD2 PHE A 20 1.505 3.820 -10.608 1.00 2.43 C ATOM 293 CE1 PHE A 20 0.562 5.867 -8.934 1.00 3.01 C ATOM 294 CE2 PHE A 20 2.232 5.015 -10.482 1.00 2.98 C ATOM 295 CZ PHE A 20 1.742 6.052 -9.674 1.00 2.85 C ATOM 0 H PHE A 20 -1.927 0.660 -11.178 1.00 0.67 H new ATOM 0 HA PHE A 20 -2.423 3.363 -10.969 1.00 0.77 H new ATOM 0 HB2 PHE A 20 -1.137 2.193 -9.348 1.00 0.91 H new ATOM 0 HB3 PHE A 20 0.023 1.643 -10.541 1.00 0.91 H new ATOM 0 HD1 PHE A 20 -1.135 4.578 -8.580 1.00 2.33 H new ATOM 0 HD2 PHE A 20 1.897 3.009 -11.204 1.00 2.43 H new ATOM 0 HE1 PHE A 20 0.239 6.624 -8.235 1.00 3.01 H new ATOM 0 HE2 PHE A 20 3.168 5.136 -11.007 1.00 2.98 H new ATOM 0 HZ PHE A 20 2.271 6.992 -9.621 1.00 2.85 H new ATOM 305 N PHE A 21 -0.090 2.787 -13.273 1.00 0.81 N ATOM 306 CA PHE A 21 0.598 3.418 -14.385 1.00 0.87 C ATOM 307 C PHE A 21 -0.353 3.738 -15.532 1.00 0.91 C ATOM 308 O PHE A 21 -0.269 4.836 -16.075 1.00 1.00 O ATOM 309 CB PHE A 21 1.795 2.594 -14.887 1.00 0.99 C ATOM 310 CG PHE A 21 3.088 2.722 -14.094 1.00 2.22 C ATOM 311 CD1 PHE A 21 3.583 3.984 -13.699 1.00 3.27 C ATOM 312 CD2 PHE A 21 3.874 1.576 -13.867 1.00 3.48 C ATOM 313 CE1 PHE A 21 4.763 4.072 -12.942 1.00 4.59 C ATOM 314 CE2 PHE A 21 5.099 1.679 -13.185 1.00 4.75 C ATOM 315 CZ PHE A 21 5.525 2.921 -12.687 1.00 5.08 C ATOM 0 H PHE A 21 0.222 1.837 -13.071 1.00 0.81 H new ATOM 0 HA PHE A 21 0.992 4.358 -13.998 1.00 0.87 H new ATOM 0 HB2 PHE A 21 1.505 1.543 -14.899 1.00 0.99 H new ATOM 0 HB3 PHE A 21 1.998 2.881 -15.919 1.00 0.99 H new ATOM 0 HD1 PHE A 21 3.054 4.883 -13.979 1.00 3.27 H new ATOM 0 HD2 PHE A 21 3.534 0.613 -14.219 1.00 3.48 H new ATOM 0 HE1 PHE A 21 5.085 5.028 -12.555 1.00 4.59 H new ATOM 0 HE2 PHE A 21 5.713 0.802 -13.044 1.00 4.75 H new ATOM 0 HZ PHE A 21 6.435 2.990 -12.110 1.00 5.08 H new ATOM 325 N THR A 22 -1.231 2.814 -15.937 1.00 0.89 N ATOM 326 CA THR A 22 -2.089 3.090 -17.084 1.00 1.06 C ATOM 327 C THR A 22 -2.968 4.317 -16.801 1.00 1.08 C ATOM 328 O THR A 22 -3.032 5.232 -17.623 1.00 1.42 O ATOM 329 CB THR A 22 -2.837 1.835 -17.571 1.00 1.14 C ATOM 330 OG1 THR A 22 -3.235 2.016 -18.915 1.00 2.16 O ATOM 331 CG2 THR A 22 -4.072 1.467 -16.749 1.00 1.58 C ATOM 0 H THR A 22 -1.362 1.900 -15.503 1.00 0.89 H new ATOM 0 HA THR A 22 -1.473 3.359 -17.942 1.00 1.06 H new ATOM 0 HB THR A 22 -2.130 1.013 -17.458 1.00 1.14 H new ATOM 0 HG1 THR A 22 -3.710 1.217 -19.226 1.00 2.16 H new ATOM 0 HG21 THR A 22 -4.533 0.571 -17.166 1.00 1.58 H new ATOM 0 HG22 THR A 22 -3.779 1.277 -15.717 1.00 1.58 H new ATOM 0 HG23 THR A 22 -4.787 2.290 -16.778 1.00 1.58 H new ATOM 339 N PHE A 23 -3.563 4.397 -15.603 1.00 0.86 N ATOM 340 CA PHE A 23 -4.272 5.605 -15.190 1.00 0.90 C ATOM 341 C PHE A 23 -3.328 6.805 -15.142 1.00 0.93 C ATOM 342 O PHE A 23 -3.630 7.868 -15.665 1.00 1.10 O ATOM 343 CB PHE A 23 -4.950 5.409 -13.829 1.00 0.88 C ATOM 344 CG PHE A 23 -6.362 4.876 -13.928 1.00 0.94 C ATOM 345 CD1 PHE A 23 -6.594 3.492 -14.031 1.00 2.28 C ATOM 346 CD2 PHE A 23 -7.451 5.769 -13.897 1.00 1.89 C ATOM 347 CE1 PHE A 23 -7.908 2.996 -14.002 1.00 2.66 C ATOM 348 CE2 PHE A 23 -8.765 5.273 -13.889 1.00 2.24 C ATOM 349 CZ PHE A 23 -8.990 3.886 -13.898 1.00 2.05 C ATOM 0 H PHE A 23 -3.565 3.646 -14.913 1.00 0.86 H new ATOM 0 HA PHE A 23 -5.044 5.803 -15.933 1.00 0.90 H new ATOM 0 HB2 PHE A 23 -4.352 4.722 -13.230 1.00 0.88 H new ATOM 0 HB3 PHE A 23 -4.966 6.362 -13.300 1.00 0.88 H new ATOM 0 HD1 PHE A 23 -5.762 2.811 -14.132 1.00 2.28 H new ATOM 0 HD2 PHE A 23 -7.276 6.835 -13.879 1.00 1.89 H new ATOM 0 HE1 PHE A 23 -8.086 1.932 -14.060 1.00 2.66 H new ATOM 0 HE2 PHE A 23 -9.601 5.957 -13.876 1.00 2.24 H new ATOM 0 HZ PHE A 23 -9.997 3.503 -13.825 1.00 2.05 H new ATOM 359 N ALA A 24 -2.172 6.661 -14.507 1.00 0.86 N ATOM 360 CA ALA A 24 -1.241 7.757 -14.320 1.00 0.92 C ATOM 361 C ALA A 24 -0.687 8.275 -15.645 1.00 1.20 C ATOM 362 O ALA A 24 -0.224 9.415 -15.703 1.00 1.31 O ATOM 363 CB ALA A 24 -0.120 7.311 -13.384 1.00 0.98 C ATOM 0 H ALA A 24 -1.856 5.777 -14.108 1.00 0.86 H new ATOM 0 HA ALA A 24 -1.777 8.592 -13.868 1.00 0.92 H new ATOM 0 HB1 ALA A 24 0.582 8.132 -13.241 1.00 0.98 H new ATOM 0 HB2 ALA A 24 -0.543 7.023 -12.422 1.00 0.98 H new ATOM 0 HB3 ALA A 24 0.402 6.459 -13.821 1.00 0.98 H new ATOM 369 N ARG A 25 -0.726 7.449 -16.690 1.00 1.32 N ATOM 370 CA ARG A 25 -0.366 7.767 -18.061 1.00 1.59 C ATOM 371 C ARG A 25 -1.476 8.533 -18.794 1.00 1.65 C ATOM 372 O ARG A 25 -1.181 9.104 -19.841 1.00 1.87 O ATOM 373 CB ARG A 25 0.100 6.475 -18.759 1.00 1.97 C ATOM 374 CG ARG A 25 0.430 6.602 -20.252 1.00 3.09 C ATOM 375 CD ARG A 25 -0.786 6.251 -21.122 1.00 2.63 C ATOM 376 NE ARG A 25 -0.538 6.576 -22.535 1.00 4.17 N ATOM 377 CZ ARG A 25 -1.467 6.521 -23.502 1.00 4.42 C ATOM 378 NH1 ARG A 25 -2.705 6.104 -23.213 1.00 3.44 N ATOM 379 NH2 ARG A 25 -1.152 6.877 -24.753 1.00 6.21 N ATOM 0 H ARG A 25 -1.030 6.480 -16.590 1.00 1.32 H new ATOM 0 HA ARG A 25 0.470 8.466 -18.077 1.00 1.59 H new ATOM 0 HB2 ARG A 25 0.985 6.104 -18.241 1.00 1.97 H new ATOM 0 HB3 ARG A 25 -0.678 5.721 -18.641 1.00 1.97 H new ATOM 0 HG2 ARG A 25 0.755 7.619 -20.470 1.00 3.09 H new ATOM 0 HG3 ARG A 25 1.261 5.942 -20.501 1.00 3.09 H new ATOM 0 HD2 ARG A 25 -1.013 5.189 -21.024 1.00 2.63 H new ATOM 0 HD3 ARG A 25 -1.660 6.797 -20.768 1.00 2.63 H new ATOM 0 HE ARG A 25 0.405 6.863 -22.798 1.00 4.17 H new ATOM 0 HH11 ARG A 25 -2.941 5.829 -22.260 1.00 3.44 H new ATOM 0 HH12 ARG A 25 -3.413 6.061 -23.946 1.00 3.44 H new ATOM 0 HH21 ARG A 25 -0.206 7.190 -24.971 1.00 6.21 H new ATOM 0 HH22 ARG A 25 -1.858 6.835 -25.488 1.00 6.21 H new ATOM 393 N GLN A 26 -2.726 8.534 -18.301 1.00 1.53 N ATOM 394 CA GLN A 26 -3.854 9.232 -18.903 1.00 1.61 C ATOM 395 C GLN A 26 -3.435 10.603 -19.442 1.00 1.81 C ATOM 396 O GLN A 26 -3.656 10.906 -20.614 1.00 1.89 O ATOM 397 CB GLN A 26 -4.889 9.421 -17.793 1.00 1.51 C ATOM 398 CG GLN A 26 -6.158 10.182 -18.144 1.00 1.74 C ATOM 399 CD GLN A 26 -7.180 9.327 -18.890 1.00 1.94 C ATOM 400 OE1 GLN A 26 -6.822 8.515 -19.738 1.00 2.26 O ATOM 401 NE2 GLN A 26 -8.458 9.485 -18.572 1.00 2.80 N ATOM 0 H GLN A 26 -2.977 8.033 -17.449 1.00 1.53 H new ATOM 0 HA GLN A 26 -4.249 8.658 -19.741 1.00 1.61 H new ATOM 0 HB2 GLN A 26 -5.177 8.435 -17.429 1.00 1.51 H new ATOM 0 HB3 GLN A 26 -4.404 9.937 -16.964 1.00 1.51 H new ATOM 0 HG2 GLN A 26 -6.611 10.564 -17.229 1.00 1.74 H new ATOM 0 HG3 GLN A 26 -5.899 11.046 -18.756 1.00 1.74 H new ATOM 0 HE21 GLN A 26 -8.727 10.168 -17.863 1.00 2.80 H new ATOM 0 HE22 GLN A 26 -9.172 8.924 -19.036 1.00 2.80 H new ATOM 410 N GLU A 27 -2.845 11.431 -18.572 1.00 1.93 N ATOM 411 CA GLU A 27 -2.363 12.756 -18.914 1.00 2.25 C ATOM 412 C GLU A 27 -1.097 13.065 -18.103 1.00 1.88 C ATOM 413 O GLU A 27 -0.490 12.154 -17.523 1.00 2.29 O ATOM 414 CB GLU A 27 -3.520 13.768 -18.801 1.00 2.49 C ATOM 415 CG GLU A 27 -3.960 14.130 -17.370 1.00 2.66 C ATOM 416 CD GLU A 27 -3.607 15.560 -16.968 1.00 3.91 C ATOM 417 OE1 GLU A 27 -2.595 16.063 -17.503 1.00 5.34 O ATOM 418 OE2 GLU A 27 -4.334 16.109 -16.111 1.00 3.86 O ATOM 0 H GLU A 27 -2.691 11.185 -17.594 1.00 1.93 H new ATOM 0 HA GLU A 27 -2.043 12.825 -19.954 1.00 2.25 H new ATOM 0 HB2 GLU A 27 -3.227 14.685 -19.313 1.00 2.49 H new ATOM 0 HB3 GLU A 27 -4.382 13.367 -19.335 1.00 2.49 H new ATOM 0 HG2 GLU A 27 -5.038 13.992 -17.284 1.00 2.66 H new ATOM 0 HG3 GLU A 27 -3.493 13.438 -16.669 1.00 2.66 H new ATOM 425 N GLY A 28 -0.686 14.336 -18.060 1.00 1.72 N ATOM 426 CA GLY A 28 0.601 14.858 -17.610 1.00 1.89 C ATOM 427 C GLY A 28 1.404 13.892 -16.742 1.00 1.76 C ATOM 428 O GLY A 28 0.952 13.548 -15.644 1.00 1.82 O ATOM 0 H GLY A 28 -1.302 15.089 -18.367 1.00 1.72 H new ATOM 0 HA2 GLY A 28 1.197 15.124 -18.483 1.00 1.89 H new ATOM 0 HA3 GLY A 28 0.431 15.776 -17.048 1.00 1.89 H new ATOM 432 N ARG A 29 2.555 13.416 -17.243 1.00 1.71 N ATOM 433 CA ARG A 29 3.510 12.599 -16.493 1.00 1.70 C ATOM 434 C ARG A 29 2.950 11.222 -16.112 1.00 1.54 C ATOM 435 O ARG A 29 2.044 11.128 -15.281 1.00 1.36 O ATOM 436 CB ARG A 29 4.121 13.360 -15.300 1.00 1.91 C ATOM 437 CG ARG A 29 5.498 13.959 -15.632 1.00 2.48 C ATOM 438 CD ARG A 29 5.461 15.037 -16.726 1.00 2.27 C ATOM 439 NE ARG A 29 6.825 15.394 -17.155 1.00 3.25 N ATOM 440 CZ ARG A 29 7.127 16.165 -18.214 1.00 3.94 C ATOM 441 NH1 ARG A 29 6.153 16.787 -18.886 1.00 4.17 N ATOM 442 NH2 ARG A 29 8.402 16.304 -18.600 1.00 5.07 N ATOM 0 H ARG A 29 2.850 13.595 -18.203 1.00 1.71 H new ATOM 0 HA ARG A 29 4.337 12.393 -17.172 1.00 1.70 H new ATOM 0 HB2 ARG A 29 3.444 14.158 -14.996 1.00 1.91 H new ATOM 0 HB3 ARG A 29 4.217 12.683 -14.451 1.00 1.91 H new ATOM 0 HG2 ARG A 29 5.924 14.390 -14.726 1.00 2.48 H new ATOM 0 HG3 ARG A 29 6.165 13.157 -15.948 1.00 2.48 H new ATOM 0 HD2 ARG A 29 4.889 14.675 -17.580 1.00 2.27 H new ATOM 0 HD3 ARG A 29 4.949 15.924 -16.352 1.00 2.27 H new ATOM 0 HE ARG A 29 7.601 15.027 -16.605 1.00 3.25 H new ATOM 0 HH11 ARG A 29 5.182 16.676 -18.595 1.00 4.17 H new ATOM 0 HH12 ARG A 29 6.381 17.372 -19.690 1.00 4.17 H new ATOM 0 HH21 ARG A 29 9.144 15.825 -18.090 1.00 5.07 H new ATOM 0 HH22 ARG A 29 8.631 16.889 -19.404 1.00 5.07 H new ATOM 456 N LYS A 30 3.410 10.148 -16.769 1.00 1.64 N ATOM 457 CA LYS A 30 2.981 8.799 -16.406 1.00 1.55 C ATOM 458 C LYS A 30 3.321 8.423 -14.961 1.00 1.43 C ATOM 459 O LYS A 30 2.665 7.559 -14.391 1.00 1.98 O ATOM 460 CB LYS A 30 3.400 7.736 -17.437 1.00 1.88 C ATOM 461 CG LYS A 30 4.866 7.269 -17.375 1.00 2.42 C ATOM 462 CD LYS A 30 5.067 6.154 -16.332 1.00 4.20 C ATOM 463 CE LYS A 30 6.464 5.532 -16.417 1.00 5.14 C ATOM 464 NZ LYS A 30 6.741 4.704 -15.226 1.00 7.05 N ATOM 0 H LYS A 30 4.071 10.190 -17.545 1.00 1.64 H new ATOM 0 HA LYS A 30 1.892 8.817 -16.441 1.00 1.55 H new ATOM 0 HB2 LYS A 30 2.757 6.865 -17.311 1.00 1.88 H new ATOM 0 HB3 LYS A 30 3.208 8.132 -18.434 1.00 1.88 H new ATOM 0 HG2 LYS A 30 5.175 6.909 -18.356 1.00 2.42 H new ATOM 0 HG3 LYS A 30 5.507 8.116 -17.130 1.00 2.42 H new ATOM 0 HD2 LYS A 30 4.912 6.560 -15.333 1.00 4.20 H new ATOM 0 HD3 LYS A 30 4.316 5.379 -16.481 1.00 4.20 H new ATOM 0 HE2 LYS A 30 6.541 4.921 -17.316 1.00 5.14 H new ATOM 0 HE3 LYS A 30 7.213 6.319 -16.501 1.00 5.14 H new ATOM 0 HZ1 LYS A 30 7.359 3.910 -15.491 1.00 7.05 H new ATOM 0 HZ2 LYS A 30 7.213 5.283 -14.502 1.00 7.05 H new ATOM 0 HZ3 LYS A 30 5.847 4.334 -14.845 1.00 7.05 H new ATOM 478 N ASP A 31 4.358 9.028 -14.369 1.00 1.98 N ATOM 479 CA ASP A 31 4.777 8.718 -13.004 1.00 1.92 C ATOM 480 C ASP A 31 4.077 9.618 -11.967 1.00 1.86 C ATOM 481 O ASP A 31 4.449 9.597 -10.793 1.00 2.49 O ATOM 482 CB ASP A 31 6.311 8.793 -12.891 1.00 2.40 C ATOM 483 CG ASP A 31 7.043 7.664 -13.608 1.00 3.41 C ATOM 484 OD1 ASP A 31 6.872 6.480 -13.242 1.00 4.64 O ATOM 485 OD2 ASP A 31 7.868 7.956 -14.498 1.00 4.15 O ATOM 0 H ASP A 31 4.926 9.743 -14.824 1.00 1.98 H new ATOM 0 HA ASP A 31 4.469 7.697 -12.777 1.00 1.92 H new ATOM 0 HB2 ASP A 31 6.649 9.746 -13.297 1.00 2.40 H new ATOM 0 HB3 ASP A 31 6.588 8.780 -11.837 1.00 2.40 H new ATOM 490 N SER A 32 3.061 10.404 -12.354 1.00 1.44 N ATOM 491 CA SER A 32 2.287 11.183 -11.394 1.00 1.43 C ATOM 492 C SER A 32 0.855 11.411 -11.875 1.00 1.20 C ATOM 493 O SER A 32 0.547 11.257 -13.066 1.00 1.34 O ATOM 494 CB SER A 32 2.994 12.500 -11.061 1.00 1.89 C ATOM 495 OG SER A 32 3.200 13.309 -12.203 1.00 1.97 O ATOM 0 H SER A 32 2.762 10.512 -13.323 1.00 1.44 H new ATOM 0 HA SER A 32 2.220 10.604 -10.473 1.00 1.43 H new ATOM 0 HB2 SER A 32 2.402 13.052 -10.331 1.00 1.89 H new ATOM 0 HB3 SER A 32 3.955 12.285 -10.594 1.00 1.89 H new ATOM 0 HG SER A 32 3.584 14.168 -11.930 1.00 1.97 H new ATOM 501 N LEU A 33 -0.042 11.744 -10.944 1.00 1.06 N ATOM 502 CA LEU A 33 -1.465 11.836 -11.223 1.00 1.07 C ATOM 503 C LEU A 33 -1.974 13.253 -10.992 1.00 1.06 C ATOM 504 O LEU A 33 -1.756 13.835 -9.933 1.00 0.99 O ATOM 505 CB LEU A 33 -2.258 10.759 -10.473 1.00 1.06 C ATOM 506 CG LEU A 33 -1.845 9.370 -10.990 1.00 1.40 C ATOM 507 CD1 LEU A 33 -0.863 8.688 -10.038 1.00 2.91 C ATOM 508 CD2 LEU A 33 -3.067 8.478 -11.238 1.00 1.69 C ATOM 0 H LEU A 33 0.204 11.956 -9.977 1.00 1.06 H new ATOM 0 HA LEU A 33 -1.628 11.627 -12.280 1.00 1.07 H new ATOM 0 HB2 LEU A 33 -2.069 10.832 -9.402 1.00 1.06 H new ATOM 0 HB3 LEU A 33 -3.327 10.911 -10.619 1.00 1.06 H new ATOM 0 HG LEU A 33 -1.339 9.520 -11.944 1.00 1.40 H new ATOM 0 HD11 LEU A 33 -0.593 7.709 -10.434 1.00 2.91 H new ATOM 0 HD12 LEU A 33 0.034 9.300 -9.940 1.00 2.91 H new ATOM 0 HD13 LEU A 33 -1.329 8.568 -9.060 1.00 2.91 H new ATOM 0 HD21 LEU A 33 -2.739 7.505 -11.603 1.00 1.69 H new ATOM 0 HD22 LEU A 33 -3.619 8.350 -10.307 1.00 1.69 H new ATOM 0 HD23 LEU A 33 -3.713 8.945 -11.981 1.00 1.69 H new ATOM 520 N SER A 34 -2.656 13.791 -12.002 1.00 1.35 N ATOM 521 CA SER A 34 -3.322 15.083 -11.936 1.00 1.46 C ATOM 522 C SER A 34 -4.683 14.895 -11.252 1.00 1.38 C ATOM 523 O SER A 34 -5.088 13.774 -10.946 1.00 1.30 O ATOM 524 CB SER A 34 -3.424 15.623 -13.371 1.00 1.66 C ATOM 525 OG SER A 34 -4.388 16.638 -13.543 1.00 2.23 O ATOM 0 H SER A 34 -2.761 13.329 -12.905 1.00 1.35 H new ATOM 0 HA SER A 34 -2.772 15.814 -11.344 1.00 1.46 H new ATOM 0 HB2 SER A 34 -2.450 16.009 -13.671 1.00 1.66 H new ATOM 0 HB3 SER A 34 -3.660 14.797 -14.042 1.00 1.66 H new ATOM 0 HG SER A 34 -4.768 16.579 -14.444 1.00 2.23 H new ATOM 531 N VAL A 35 -5.382 15.993 -10.958 1.00 1.47 N ATOM 532 CA VAL A 35 -6.562 15.968 -10.102 1.00 1.47 C ATOM 533 C VAL A 35 -7.701 15.208 -10.787 1.00 1.39 C ATOM 534 O VAL A 35 -8.300 14.315 -10.190 1.00 1.35 O ATOM 535 CB VAL A 35 -6.958 17.393 -9.678 1.00 1.62 C ATOM 536 CG1 VAL A 35 -8.137 17.361 -8.695 1.00 1.64 C ATOM 537 CG2 VAL A 35 -5.772 18.088 -8.996 1.00 2.99 C ATOM 0 H VAL A 35 -5.144 16.921 -11.308 1.00 1.47 H new ATOM 0 HA VAL A 35 -6.330 15.428 -9.184 1.00 1.47 H new ATOM 0 HB VAL A 35 -7.249 17.941 -10.575 1.00 1.62 H new ATOM 0 HG11 VAL A 35 -8.400 18.379 -8.409 1.00 1.64 H new ATOM 0 HG12 VAL A 35 -8.994 16.885 -9.171 1.00 1.64 H new ATOM 0 HG13 VAL A 35 -7.855 16.796 -7.807 1.00 1.64 H new ATOM 0 HG21 VAL A 35 -6.062 19.096 -8.700 1.00 2.99 H new ATOM 0 HG22 VAL A 35 -5.477 17.521 -8.113 1.00 2.99 H new ATOM 0 HG23 VAL A 35 -4.933 18.141 -9.690 1.00 2.99 H new ATOM 547 N ASN A 36 -7.982 15.535 -12.053 1.00 1.42 N ATOM 548 CA ASN A 36 -8.931 14.766 -12.854 1.00 1.45 C ATOM 549 C ASN A 36 -8.485 13.305 -12.909 1.00 1.40 C ATOM 550 O ASN A 36 -9.264 12.404 -12.616 1.00 1.42 O ATOM 551 CB ASN A 36 -9.047 15.338 -14.275 1.00 1.63 C ATOM 552 CG ASN A 36 -9.774 14.341 -15.178 1.00 1.82 C ATOM 553 OD1 ASN A 36 -11.000 14.312 -15.208 1.00 1.92 O ATOM 554 ND2 ASN A 36 -9.015 13.495 -15.869 1.00 2.55 N ATOM 0 H ASN A 36 -7.564 16.327 -12.542 1.00 1.42 H new ATOM 0 HA ASN A 36 -9.913 14.831 -12.386 1.00 1.45 H new ATOM 0 HB2 ASN A 36 -9.588 16.284 -14.253 1.00 1.63 H new ATOM 0 HB3 ASN A 36 -8.055 15.548 -14.674 1.00 1.63 H new ATOM 0 HD21 ASN A 36 -9.449 12.783 -16.456 1.00 2.55 H new ATOM 0 HD22 ASN A 36 -7.999 13.558 -15.812 1.00 2.55 H new ATOM 561 N GLU A 37 -7.222 13.103 -13.288 1.00 1.41 N ATOM 562 CA GLU A 37 -6.598 11.801 -13.481 1.00 1.47 C ATOM 563 C GLU A 37 -6.872 10.894 -12.277 1.00 1.41 C ATOM 564 O GLU A 37 -7.311 9.752 -12.410 1.00 1.49 O ATOM 565 CB GLU A 37 -5.092 12.041 -13.680 1.00 1.52 C ATOM 566 CG GLU A 37 -4.455 11.075 -14.672 1.00 1.29 C ATOM 567 CD GLU A 37 -3.016 11.467 -14.992 1.00 1.30 C ATOM 568 OE1 GLU A 37 -2.378 12.298 -14.305 1.00 1.87 O ATOM 569 OE2 GLU A 37 -2.394 10.923 -15.921 1.00 2.10 O ATOM 0 H GLU A 37 -6.583 13.876 -13.475 1.00 1.41 H new ATOM 0 HA GLU A 37 -7.010 11.294 -14.354 1.00 1.47 H new ATOM 0 HB2 GLU A 37 -4.936 13.063 -14.027 1.00 1.52 H new ATOM 0 HB3 GLU A 37 -4.586 11.950 -12.719 1.00 1.52 H new ATOM 0 HG2 GLU A 37 -4.475 10.065 -14.262 1.00 1.29 H new ATOM 0 HG3 GLU A 37 -5.041 11.057 -15.591 1.00 1.29 H new ATOM 576 N PHE A 38 -6.617 11.441 -11.089 1.00 1.32 N ATOM 577 CA PHE A 38 -6.942 10.831 -9.818 1.00 1.27 C ATOM 578 C PHE A 38 -8.450 10.589 -9.726 1.00 1.31 C ATOM 579 O PHE A 38 -8.872 9.450 -9.522 1.00 1.31 O ATOM 580 CB PHE A 38 -6.418 11.744 -8.699 1.00 1.28 C ATOM 581 CG PHE A 38 -6.801 11.404 -7.270 1.00 1.05 C ATOM 582 CD1 PHE A 38 -7.167 10.099 -6.880 1.00 1.82 C ATOM 583 CD2 PHE A 38 -6.796 12.435 -6.313 1.00 2.33 C ATOM 584 CE1 PHE A 38 -7.522 9.834 -5.548 1.00 1.96 C ATOM 585 CE2 PHE A 38 -7.172 12.170 -4.988 1.00 2.80 C ATOM 586 CZ PHE A 38 -7.512 10.868 -4.599 1.00 2.01 C ATOM 0 H PHE A 38 -6.164 12.350 -10.991 1.00 1.32 H new ATOM 0 HA PHE A 38 -6.465 9.856 -9.716 1.00 1.27 H new ATOM 0 HB2 PHE A 38 -5.330 11.757 -8.760 1.00 1.28 H new ATOM 0 HB3 PHE A 38 -6.761 12.758 -8.906 1.00 1.28 H new ATOM 0 HD1 PHE A 38 -7.174 9.301 -7.608 1.00 1.82 H new ATOM 0 HD2 PHE A 38 -6.502 13.434 -6.599 1.00 2.33 H new ATOM 0 HE1 PHE A 38 -7.803 8.834 -5.253 1.00 1.96 H new ATOM 0 HE2 PHE A 38 -7.199 12.972 -4.265 1.00 2.80 H new ATOM 0 HZ PHE A 38 -7.766 10.660 -3.570 1.00 2.01 H new ATOM 596 N LYS A 39 -9.264 11.643 -9.862 1.00 1.36 N ATOM 597 CA LYS A 39 -10.702 11.531 -9.665 1.00 1.40 C ATOM 598 C LYS A 39 -11.304 10.392 -10.499 1.00 1.34 C ATOM 599 O LYS A 39 -12.086 9.598 -9.976 1.00 1.33 O ATOM 600 CB LYS A 39 -11.423 12.871 -9.865 1.00 1.54 C ATOM 601 CG LYS A 39 -12.891 12.752 -9.413 1.00 1.63 C ATOM 602 CD LYS A 39 -13.686 14.059 -9.596 1.00 1.93 C ATOM 603 CE LYS A 39 -13.721 14.994 -8.372 1.00 2.87 C ATOM 604 NZ LYS A 39 -12.437 15.666 -8.083 1.00 4.76 N ATOM 0 H LYS A 39 -8.945 12.580 -10.108 1.00 1.36 H new ATOM 0 HA LYS A 39 -10.864 11.263 -8.621 1.00 1.40 H new ATOM 0 HB2 LYS A 39 -10.921 13.652 -9.295 1.00 1.54 H new ATOM 0 HB3 LYS A 39 -11.379 13.164 -10.914 1.00 1.54 H new ATOM 0 HG2 LYS A 39 -13.376 11.956 -9.978 1.00 1.63 H new ATOM 0 HG3 LYS A 39 -12.919 12.460 -8.363 1.00 1.63 H new ATOM 0 HD2 LYS A 39 -13.261 14.607 -10.437 1.00 1.93 H new ATOM 0 HD3 LYS A 39 -14.711 13.805 -9.866 1.00 1.93 H new ATOM 0 HE2 LYS A 39 -14.487 15.753 -8.531 1.00 2.87 H new ATOM 0 HE3 LYS A 39 -14.021 14.417 -7.497 1.00 2.87 H new ATOM 0 HZ1 LYS A 39 -12.305 15.735 -7.054 1.00 4.76 H new ATOM 0 HZ2 LYS A 39 -11.657 15.116 -8.496 1.00 4.76 H new ATOM 0 HZ3 LYS A 39 -12.444 16.621 -8.495 1.00 4.76 H new ATOM 618 N GLU A 40 -10.920 10.271 -11.772 1.00 1.31 N ATOM 619 CA GLU A 40 -11.398 9.192 -12.627 1.00 1.26 C ATOM 620 C GLU A 40 -11.281 7.821 -11.953 1.00 1.17 C ATOM 621 O GLU A 40 -12.170 6.990 -12.114 1.00 1.21 O ATOM 622 CB GLU A 40 -10.670 9.182 -13.976 1.00 1.24 C ATOM 623 CG GLU A 40 -11.051 10.386 -14.850 1.00 1.35 C ATOM 624 CD GLU A 40 -10.504 10.221 -16.261 1.00 2.02 C ATOM 625 OE1 GLU A 40 -10.967 9.284 -16.942 1.00 2.63 O ATOM 626 OE2 GLU A 40 -9.607 11.009 -16.642 1.00 2.74 O ATOM 0 H GLU A 40 -10.275 10.914 -12.232 1.00 1.31 H new ATOM 0 HA GLU A 40 -12.456 9.386 -12.803 1.00 1.26 H new ATOM 0 HB2 GLU A 40 -9.593 9.185 -13.806 1.00 1.24 H new ATOM 0 HB3 GLU A 40 -10.906 8.260 -14.508 1.00 1.24 H new ATOM 0 HG2 GLU A 40 -12.136 10.488 -14.885 1.00 1.35 H new ATOM 0 HG3 GLU A 40 -10.659 11.302 -14.407 1.00 1.35 H new ATOM 633 N LEU A 41 -10.216 7.566 -11.187 1.00 1.08 N ATOM 634 CA LEU A 41 -9.990 6.261 -10.582 1.00 1.03 C ATOM 635 C LEU A 41 -11.111 5.990 -9.578 1.00 1.05 C ATOM 636 O LEU A 41 -11.728 4.924 -9.585 1.00 1.06 O ATOM 637 CB LEU A 41 -8.586 6.247 -9.948 1.00 1.02 C ATOM 638 CG LEU A 41 -8.028 4.887 -9.485 1.00 1.09 C ATOM 639 CD1 LEU A 41 -8.782 4.291 -8.300 1.00 1.96 C ATOM 640 CD2 LEU A 41 -7.930 3.862 -10.615 1.00 2.23 C ATOM 0 H LEU A 41 -9.495 8.255 -10.973 1.00 1.08 H new ATOM 0 HA LEU A 41 -10.016 5.459 -11.319 1.00 1.03 H new ATOM 0 HB2 LEU A 41 -7.887 6.669 -10.670 1.00 1.02 H new ATOM 0 HB3 LEU A 41 -8.599 6.916 -9.087 1.00 1.02 H new ATOM 0 HG LEU A 41 -7.016 5.115 -9.149 1.00 1.09 H new ATOM 0 HD11 LEU A 41 -8.335 3.335 -8.028 1.00 1.96 H new ATOM 0 HD12 LEU A 41 -8.724 4.973 -7.452 1.00 1.96 H new ATOM 0 HD13 LEU A 41 -9.826 4.139 -8.573 1.00 1.96 H new ATOM 0 HD21 LEU A 41 -7.530 2.926 -10.224 1.00 2.23 H new ATOM 0 HD22 LEU A 41 -8.921 3.686 -11.034 1.00 2.23 H new ATOM 0 HD23 LEU A 41 -7.269 4.241 -11.394 1.00 2.23 H new ATOM 652 N VAL A 42 -11.400 6.983 -8.731 1.00 1.10 N ATOM 653 CA VAL A 42 -12.380 6.830 -7.669 1.00 1.17 C ATOM 654 C VAL A 42 -13.785 6.766 -8.257 1.00 1.32 C ATOM 655 O VAL A 42 -14.610 5.970 -7.821 1.00 1.42 O ATOM 656 CB VAL A 42 -12.225 7.919 -6.595 1.00 1.19 C ATOM 657 CG1 VAL A 42 -10.859 7.803 -5.902 1.00 1.27 C ATOM 658 CG2 VAL A 42 -12.426 9.355 -7.061 1.00 1.24 C ATOM 0 H VAL A 42 -10.962 7.904 -8.767 1.00 1.10 H new ATOM 0 HA VAL A 42 -12.201 5.885 -7.157 1.00 1.17 H new ATOM 0 HB VAL A 42 -13.044 7.721 -5.904 1.00 1.19 H new ATOM 0 HG11 VAL A 42 -10.768 8.582 -5.145 1.00 1.27 H new ATOM 0 HG12 VAL A 42 -10.773 6.825 -5.428 1.00 1.27 H new ATOM 0 HG13 VAL A 42 -10.065 7.919 -6.640 1.00 1.27 H new ATOM 0 HG21 VAL A 42 -12.292 10.033 -6.218 1.00 1.24 H new ATOM 0 HG22 VAL A 42 -11.697 9.591 -7.836 1.00 1.24 H new ATOM 0 HG23 VAL A 42 -13.433 9.470 -7.462 1.00 1.24 H new ATOM 668 N THR A 43 -14.048 7.600 -9.261 1.00 1.38 N ATOM 669 CA THR A 43 -15.303 7.607 -9.983 1.00 1.51 C ATOM 670 C THR A 43 -15.540 6.262 -10.680 1.00 1.46 C ATOM 671 O THR A 43 -16.666 5.773 -10.705 1.00 1.65 O ATOM 672 CB THR A 43 -15.253 8.781 -10.967 1.00 1.60 C ATOM 673 OG1 THR A 43 -15.086 9.981 -10.236 1.00 1.68 O ATOM 674 CG2 THR A 43 -16.520 8.902 -11.817 1.00 1.77 C ATOM 0 H THR A 43 -13.382 8.296 -9.595 1.00 1.38 H new ATOM 0 HA THR A 43 -16.147 7.738 -9.306 1.00 1.51 H new ATOM 0 HB THR A 43 -14.419 8.600 -11.645 1.00 1.60 H new ATOM 0 HG1 THR A 43 -14.158 10.051 -9.930 1.00 1.68 H new ATOM 0 HG21 THR A 43 -16.424 9.751 -12.494 1.00 1.77 H new ATOM 0 HG22 THR A 43 -16.658 7.989 -12.397 1.00 1.77 H new ATOM 0 HG23 THR A 43 -17.382 9.052 -11.166 1.00 1.77 H new ATOM 682 N GLN A 44 -14.497 5.691 -11.289 1.00 1.26 N ATOM 683 CA GLN A 44 -14.617 4.514 -12.133 1.00 1.25 C ATOM 684 C GLN A 44 -14.689 3.229 -11.298 1.00 1.21 C ATOM 685 O GLN A 44 -15.623 2.448 -11.474 1.00 1.32 O ATOM 686 CB GLN A 44 -13.469 4.529 -13.148 1.00 1.25 C ATOM 687 CG GLN A 44 -13.612 3.460 -14.235 1.00 1.43 C ATOM 688 CD GLN A 44 -12.358 3.398 -15.099 1.00 1.58 C ATOM 689 OE1 GLN A 44 -11.819 2.324 -15.348 1.00 1.98 O ATOM 690 NE2 GLN A 44 -11.845 4.547 -15.526 1.00 2.11 N ATOM 0 H GLN A 44 -13.542 6.040 -11.205 1.00 1.26 H new ATOM 0 HA GLN A 44 -15.556 4.535 -12.686 1.00 1.25 H new ATOM 0 HB2 GLN A 44 -13.420 5.511 -13.618 1.00 1.25 H new ATOM 0 HB3 GLN A 44 -12.526 4.380 -12.622 1.00 1.25 H new ATOM 0 HG2 GLN A 44 -13.791 2.488 -13.775 1.00 1.43 H new ATOM 0 HG3 GLN A 44 -14.478 3.682 -14.858 1.00 1.43 H new ATOM 0 HE21 GLN A 44 -12.312 5.427 -15.306 1.00 2.11 H new ATOM 0 HE22 GLN A 44 -10.985 4.549 -16.074 1.00 2.11 H new ATOM 699 N GLN A 45 -13.703 2.982 -10.427 1.00 1.14 N ATOM 700 CA GLN A 45 -13.702 1.814 -9.544 1.00 1.29 C ATOM 701 C GLN A 45 -14.336 2.168 -8.182 1.00 1.70 C ATOM 702 O GLN A 45 -15.501 2.547 -8.130 1.00 3.43 O ATOM 703 CB GLN A 45 -12.291 1.192 -9.456 1.00 1.50 C ATOM 704 CG GLN A 45 -11.882 0.402 -10.710 1.00 1.72 C ATOM 705 CD GLN A 45 -11.552 1.257 -11.929 1.00 2.93 C ATOM 706 OE1 GLN A 45 -11.215 2.429 -11.815 1.00 4.27 O ATOM 707 NE2 GLN A 45 -11.634 0.661 -13.114 1.00 3.36 N ATOM 0 H GLN A 45 -12.888 3.585 -10.316 1.00 1.14 H new ATOM 0 HA GLN A 45 -14.332 1.031 -9.966 1.00 1.29 H new ATOM 0 HB2 GLN A 45 -11.564 1.986 -9.285 1.00 1.50 H new ATOM 0 HB3 GLN A 45 -12.249 0.530 -8.591 1.00 1.50 H new ATOM 0 HG2 GLN A 45 -11.013 -0.211 -10.468 1.00 1.72 H new ATOM 0 HG3 GLN A 45 -12.691 -0.281 -10.971 1.00 1.72 H new ATOM 0 HE21 GLN A 45 -11.918 -0.317 -13.175 1.00 3.36 H new ATOM 0 HE22 GLN A 45 -11.413 1.181 -13.963 1.00 3.36 H new ATOM 716 N LEU A 46 -13.582 1.977 -7.090 1.00 0.91 N ATOM 717 CA LEU A 46 -13.931 2.103 -5.672 1.00 0.93 C ATOM 718 C LEU A 46 -15.441 2.213 -5.366 1.00 1.05 C ATOM 719 O LEU A 46 -15.902 3.274 -4.947 1.00 1.44 O ATOM 720 CB LEU A 46 -13.149 3.273 -5.054 1.00 0.97 C ATOM 721 CG LEU A 46 -11.633 3.030 -4.910 1.00 1.18 C ATOM 722 CD1 LEU A 46 -10.855 3.023 -6.229 1.00 2.43 C ATOM 723 CD2 LEU A 46 -11.074 4.128 -4.005 1.00 1.81 C ATOM 0 H LEU A 46 -12.606 1.700 -7.193 1.00 0.91 H new ATOM 0 HA LEU A 46 -13.640 1.161 -5.208 1.00 0.93 H new ATOM 0 HB2 LEU A 46 -13.304 4.160 -5.668 1.00 0.97 H new ATOM 0 HB3 LEU A 46 -13.564 3.490 -4.069 1.00 0.97 H new ATOM 0 HG LEU A 46 -11.508 2.030 -4.494 1.00 1.18 H new ATOM 0 HD11 LEU A 46 -9.799 2.845 -6.027 1.00 2.43 H new ATOM 0 HD12 LEU A 46 -11.239 2.233 -6.874 1.00 2.43 H new ATOM 0 HD13 LEU A 46 -10.972 3.986 -6.726 1.00 2.43 H new ATOM 0 HD21 LEU A 46 -10.000 3.986 -3.881 1.00 1.81 H new ATOM 0 HD22 LEU A 46 -11.262 5.102 -4.456 1.00 1.81 H new ATOM 0 HD23 LEU A 46 -11.561 4.080 -3.031 1.00 1.81 H new ATOM 735 N PRO A 47 -16.215 1.125 -5.519 1.00 0.89 N ATOM 736 CA PRO A 47 -17.654 1.140 -5.312 1.00 1.06 C ATOM 737 C PRO A 47 -18.053 1.366 -3.849 1.00 1.20 C ATOM 738 O PRO A 47 -18.896 2.220 -3.582 1.00 1.66 O ATOM 739 CB PRO A 47 -18.164 -0.207 -5.839 1.00 1.09 C ATOM 740 CG PRO A 47 -16.946 -1.124 -5.740 1.00 1.02 C ATOM 741 CD PRO A 47 -15.791 -0.167 -6.027 1.00 0.87 C ATOM 0 HA PRO A 47 -18.104 1.979 -5.842 1.00 1.06 H new ATOM 0 HB2 PRO A 47 -18.995 -0.581 -5.242 1.00 1.09 H new ATOM 0 HB3 PRO A 47 -18.521 -0.125 -6.866 1.00 1.09 H new ATOM 0 HG2 PRO A 47 -16.860 -1.580 -4.754 1.00 1.02 H new ATOM 0 HG3 PRO A 47 -16.990 -1.937 -6.465 1.00 1.02 H new ATOM 0 HD2 PRO A 47 -14.876 -0.499 -5.536 1.00 0.87 H new ATOM 0 HD3 PRO A 47 -15.580 -0.117 -7.095 1.00 0.87 H new ATOM 749 N HIS A 48 -17.512 0.579 -2.909 1.00 1.10 N ATOM 750 CA HIS A 48 -18.002 0.549 -1.530 1.00 1.27 C ATOM 751 C HIS A 48 -16.827 0.560 -0.556 1.00 1.14 C ATOM 752 O HIS A 48 -16.614 -0.375 0.211 1.00 1.83 O ATOM 753 CB HIS A 48 -18.936 -0.656 -1.343 1.00 1.56 C ATOM 754 CG HIS A 48 -19.837 -0.522 -0.140 1.00 2.02 C ATOM 755 ND1 HIS A 48 -19.725 -1.190 1.059 1.00 2.75 N ATOM 756 CD2 HIS A 48 -20.927 0.303 -0.049 1.00 2.86 C ATOM 757 CE1 HIS A 48 -20.727 -0.773 1.849 1.00 3.13 C ATOM 758 NE2 HIS A 48 -21.487 0.141 1.221 1.00 3.08 N ATOM 0 H HIS A 48 -16.728 -0.050 -3.084 1.00 1.10 H new ATOM 0 HA HIS A 48 -18.588 1.442 -1.315 1.00 1.27 H new ATOM 0 HB2 HIS A 48 -19.548 -0.777 -2.237 1.00 1.56 H new ATOM 0 HB3 HIS A 48 -18.337 -1.561 -1.242 1.00 1.56 H new ATOM 0 HD2 HIS A 48 -21.290 0.963 -0.823 1.00 2.86 H new ATOM 0 HE1 HIS A 48 -20.900 -1.125 2.855 1.00 3.13 H new ATOM 0 HE2 HIS A 48 -22.306 0.619 1.596 1.00 3.08 H new ATOM 766 N LEU A 49 -16.051 1.641 -0.626 1.00 1.63 N ATOM 767 CA LEU A 49 -14.725 1.726 -0.046 1.00 1.43 C ATOM 768 C LEU A 49 -14.518 3.150 0.488 1.00 1.45 C ATOM 769 O LEU A 49 -15.299 3.610 1.322 1.00 1.88 O ATOM 770 CB LEU A 49 -13.768 1.324 -1.171 1.00 1.49 C ATOM 771 CG LEU A 49 -12.436 0.789 -0.653 1.00 1.41 C ATOM 772 CD1 LEU A 49 -12.568 -0.689 -0.270 1.00 1.42 C ATOM 773 CD2 LEU A 49 -11.437 0.925 -1.793 1.00 1.78 C ATOM 0 H LEU A 49 -16.340 2.497 -1.099 1.00 1.63 H new ATOM 0 HA LEU A 49 -14.557 1.069 0.807 1.00 1.43 H new ATOM 0 HB2 LEU A 49 -14.243 0.564 -1.791 1.00 1.49 H new ATOM 0 HB3 LEU A 49 -13.583 2.187 -1.810 1.00 1.49 H new ATOM 0 HG LEU A 49 -12.117 1.342 0.231 1.00 1.41 H new ATOM 0 HD11 LEU A 49 -11.610 -1.057 0.098 1.00 1.42 H new ATOM 0 HD12 LEU A 49 -13.322 -0.797 0.510 1.00 1.42 H new ATOM 0 HD13 LEU A 49 -12.866 -1.266 -1.145 1.00 1.42 H new ATOM 0 HD21 LEU A 49 -10.464 0.554 -1.470 1.00 1.78 H new ATOM 0 HD22 LEU A 49 -11.781 0.345 -2.649 1.00 1.78 H new ATOM 0 HD23 LEU A 49 -11.349 1.974 -2.077 1.00 1.78 H new ATOM 785 N LEU A 50 -13.531 3.894 -0.029 1.00 1.38 N ATOM 786 CA LEU A 50 -13.459 5.341 0.148 1.00 1.52 C ATOM 787 C LEU A 50 -14.602 5.983 -0.635 1.00 1.84 C ATOM 788 O LEU A 50 -14.409 6.512 -1.729 1.00 2.80 O ATOM 789 CB LEU A 50 -12.104 5.894 -0.319 1.00 1.50 C ATOM 790 CG LEU A 50 -10.950 5.551 0.632 1.00 1.42 C ATOM 791 CD1 LEU A 50 -9.621 5.849 -0.070 1.00 1.60 C ATOM 792 CD2 LEU A 50 -11.014 6.384 1.919 1.00 1.50 C ATOM 0 H LEU A 50 -12.765 3.506 -0.579 1.00 1.38 H new ATOM 0 HA LEU A 50 -13.554 5.579 1.207 1.00 1.52 H new ATOM 0 HB2 LEU A 50 -11.880 5.498 -1.310 1.00 1.50 H new ATOM 0 HB3 LEU A 50 -12.175 6.977 -0.417 1.00 1.50 H new ATOM 0 HG LEU A 50 -11.031 4.496 0.895 1.00 1.42 H new ATOM 0 HD11 LEU A 50 -8.794 5.608 0.598 1.00 1.60 H new ATOM 0 HD12 LEU A 50 -9.544 5.245 -0.974 1.00 1.60 H new ATOM 0 HD13 LEU A 50 -9.578 6.906 -0.334 1.00 1.60 H new ATOM 0 HD21 LEU A 50 -10.181 6.114 2.569 1.00 1.50 H new ATOM 0 HD22 LEU A 50 -10.952 7.443 1.670 1.00 1.50 H new ATOM 0 HD23 LEU A 50 -11.954 6.187 2.434 1.00 1.50 H new ATOM 804 N LYS A 51 -15.799 5.913 -0.059 1.00 1.59 N ATOM 805 CA LYS A 51 -16.973 6.603 -0.560 1.00 1.80 C ATOM 806 C LYS A 51 -16.799 8.126 -0.426 1.00 1.91 C ATOM 807 O LYS A 51 -15.715 8.623 -0.123 1.00 2.73 O ATOM 808 CB LYS A 51 -18.224 6.066 0.158 1.00 1.97 C ATOM 809 CG LYS A 51 -18.220 6.337 1.672 1.00 2.44 C ATOM 810 CD LYS A 51 -19.650 6.230 2.221 1.00 2.96 C ATOM 811 CE LYS A 51 -19.768 6.671 3.687 1.00 4.14 C ATOM 812 NZ LYS A 51 -19.519 8.118 3.860 1.00 5.33 N ATOM 0 H LYS A 51 -15.978 5.365 0.782 1.00 1.59 H new ATOM 0 HA LYS A 51 -17.103 6.407 -1.624 1.00 1.80 H new ATOM 0 HB2 LYS A 51 -19.111 6.521 -0.283 1.00 1.97 H new ATOM 0 HB3 LYS A 51 -18.299 4.992 -0.012 1.00 1.97 H new ATOM 0 HG2 LYS A 51 -17.572 5.621 2.178 1.00 2.44 H new ATOM 0 HG3 LYS A 51 -17.817 7.330 1.872 1.00 2.44 H new ATOM 0 HD2 LYS A 51 -20.314 6.841 1.610 1.00 2.96 H new ATOM 0 HD3 LYS A 51 -19.992 5.199 2.130 1.00 2.96 H new ATOM 0 HE2 LYS A 51 -20.764 6.429 4.058 1.00 4.14 H new ATOM 0 HE3 LYS A 51 -19.057 6.108 4.292 1.00 4.14 H new ATOM 0 HZ1 LYS A 51 -19.852 8.418 4.799 1.00 5.33 H new ATOM 0 HZ2 LYS A 51 -18.500 8.307 3.777 1.00 5.33 H new ATOM 0 HZ3 LYS A 51 -20.030 8.648 3.126 1.00 5.33 H new ATOM 826 N ASP A 52 -17.889 8.871 -0.635 1.00 1.85 N ATOM 827 CA ASP A 52 -17.936 10.326 -0.520 1.00 1.94 C ATOM 828 C ASP A 52 -17.024 10.950 -1.576 1.00 1.90 C ATOM 829 O ASP A 52 -16.375 11.970 -1.345 1.00 2.15 O ATOM 830 CB ASP A 52 -17.608 10.813 0.905 1.00 2.17 C ATOM 831 CG ASP A 52 -18.318 10.030 1.995 1.00 2.62 C ATOM 832 OD1 ASP A 52 -19.542 9.785 1.885 1.00 3.48 O ATOM 833 OD2 ASP A 52 -17.638 9.589 2.948 1.00 3.55 O ATOM 0 H ASP A 52 -18.787 8.464 -0.896 1.00 1.85 H new ATOM 0 HA ASP A 52 -18.958 10.656 -0.708 1.00 1.94 H new ATOM 0 HB2 ASP A 52 -16.532 10.746 1.064 1.00 2.17 H new ATOM 0 HB3 ASP A 52 -17.878 11.866 0.991 1.00 2.17 H new ATOM 838 N VAL A 53 -17.010 10.338 -2.764 1.00 1.73 N ATOM 839 CA VAL A 53 -16.180 10.734 -3.893 1.00 1.67 C ATOM 840 C VAL A 53 -16.531 12.142 -4.390 1.00 1.75 C ATOM 841 O VAL A 53 -15.695 12.822 -4.981 1.00 1.98 O ATOM 842 CB VAL A 53 -16.263 9.672 -5.004 1.00 1.69 C ATOM 843 CG1 VAL A 53 -15.737 8.318 -4.508 1.00 2.02 C ATOM 844 CG2 VAL A 53 -17.681 9.501 -5.566 1.00 2.08 C ATOM 0 H VAL A 53 -17.596 9.529 -2.967 1.00 1.73 H new ATOM 0 HA VAL A 53 -15.142 10.788 -3.564 1.00 1.67 H new ATOM 0 HB VAL A 53 -15.633 10.035 -5.816 1.00 1.69 H new ATOM 0 HG11 VAL A 53 -15.806 7.584 -5.311 1.00 2.02 H new ATOM 0 HG12 VAL A 53 -14.696 8.422 -4.201 1.00 2.02 H new ATOM 0 HG13 VAL A 53 -16.334 7.984 -3.659 1.00 2.02 H new ATOM 0 HG21 VAL A 53 -17.674 8.739 -6.345 1.00 2.08 H new ATOM 0 HG22 VAL A 53 -18.355 9.196 -4.766 1.00 2.08 H new ATOM 0 HG23 VAL A 53 -18.022 10.447 -5.987 1.00 2.08 H new ATOM 854 N GLY A 54 -17.749 12.616 -4.102 1.00 1.79 N ATOM 855 CA GLY A 54 -18.105 14.019 -4.266 1.00 1.92 C ATOM 856 C GLY A 54 -17.069 14.935 -3.607 1.00 1.80 C ATOM 857 O GLY A 54 -16.760 16.001 -4.132 1.00 1.98 O ATOM 0 H GLY A 54 -18.510 12.035 -3.750 1.00 1.79 H new ATOM 0 HA2 GLY A 54 -18.181 14.256 -5.327 1.00 1.92 H new ATOM 0 HA3 GLY A 54 -19.086 14.201 -3.828 1.00 1.92 H new ATOM 861 N SER A 55 -16.513 14.499 -2.470 1.00 1.66 N ATOM 862 CA SER A 55 -15.418 15.150 -1.772 1.00 1.56 C ATOM 863 C SER A 55 -14.137 14.319 -1.937 1.00 1.29 C ATOM 864 O SER A 55 -13.401 14.081 -0.977 1.00 1.27 O ATOM 865 CB SER A 55 -15.822 15.338 -0.303 1.00 1.67 C ATOM 866 OG SER A 55 -14.906 16.172 0.374 1.00 2.45 O ATOM 0 H SER A 55 -16.831 13.651 -2.001 1.00 1.66 H new ATOM 0 HA SER A 55 -15.210 16.135 -2.191 1.00 1.56 H new ATOM 0 HB2 SER A 55 -16.821 15.771 -0.250 1.00 1.67 H new ATOM 0 HB3 SER A 55 -15.869 14.368 0.191 1.00 1.67 H new ATOM 0 HG SER A 55 -15.187 16.277 1.307 1.00 2.45 H new ATOM 872 N LEU A 56 -13.836 13.880 -3.162 1.00 1.23 N ATOM 873 CA LEU A 56 -12.545 13.316 -3.517 1.00 1.12 C ATOM 874 C LEU A 56 -11.444 14.312 -3.164 1.00 1.07 C ATOM 875 O LEU A 56 -10.430 13.963 -2.569 1.00 0.94 O ATOM 876 CB LEU A 56 -12.577 13.018 -5.019 1.00 1.23 C ATOM 877 CG LEU A 56 -11.272 12.518 -5.641 1.00 1.21 C ATOM 878 CD1 LEU A 56 -10.243 13.622 -5.905 1.00 1.18 C ATOM 879 CD2 LEU A 56 -10.684 11.384 -4.805 1.00 1.15 C ATOM 0 H LEU A 56 -14.495 13.910 -3.940 1.00 1.23 H new ATOM 0 HA LEU A 56 -12.341 12.397 -2.968 1.00 1.12 H new ATOM 0 HB2 LEU A 56 -13.351 12.273 -5.203 1.00 1.23 H new ATOM 0 HB3 LEU A 56 -12.878 13.926 -5.541 1.00 1.23 H new ATOM 0 HG LEU A 56 -11.529 12.133 -6.628 1.00 1.21 H new ATOM 0 HD11 LEU A 56 -9.347 13.186 -6.346 1.00 1.18 H new ATOM 0 HD12 LEU A 56 -10.665 14.356 -6.591 1.00 1.18 H new ATOM 0 HD13 LEU A 56 -9.984 14.110 -4.966 1.00 1.18 H new ATOM 0 HD21 LEU A 56 -9.756 11.039 -5.261 1.00 1.15 H new ATOM 0 HD22 LEU A 56 -10.481 11.743 -3.796 1.00 1.15 H new ATOM 0 HD23 LEU A 56 -11.395 10.559 -4.760 1.00 1.15 H new ATOM 891 N ASP A 57 -11.647 15.570 -3.536 1.00 1.32 N ATOM 892 CA ASP A 57 -10.635 16.612 -3.491 1.00 1.56 C ATOM 893 C ASP A 57 -10.157 16.882 -2.053 1.00 1.44 C ATOM 894 O ASP A 57 -9.031 17.320 -1.827 1.00 1.42 O ATOM 895 CB ASP A 57 -11.176 17.834 -4.249 1.00 2.24 C ATOM 896 CG ASP A 57 -11.722 17.414 -5.615 1.00 3.79 C ATOM 897 OD1 ASP A 57 -12.767 16.722 -5.640 1.00 4.19 O ATOM 898 OD2 ASP A 57 -11.073 17.637 -6.655 1.00 5.30 O ATOM 0 H ASP A 57 -12.546 15.900 -3.887 1.00 1.32 H new ATOM 0 HA ASP A 57 -9.722 16.298 -3.998 1.00 1.56 H new ATOM 0 HB2 ASP A 57 -11.964 18.312 -3.667 1.00 2.24 H new ATOM 0 HB3 ASP A 57 -10.383 18.571 -4.378 1.00 2.24 H new ATOM 903 N GLU A 58 -10.973 16.543 -1.051 1.00 1.46 N ATOM 904 CA GLU A 58 -10.523 16.477 0.334 1.00 1.49 C ATOM 905 C GLU A 58 -9.429 15.407 0.493 1.00 1.26 C ATOM 906 O GLU A 58 -8.372 15.666 1.071 1.00 1.26 O ATOM 907 CB GLU A 58 -11.738 16.204 1.226 1.00 1.67 C ATOM 908 CG GLU A 58 -11.375 16.052 2.705 1.00 1.92 C ATOM 909 CD GLU A 58 -12.608 15.697 3.523 1.00 2.19 C ATOM 910 OE1 GLU A 58 -13.095 14.560 3.321 1.00 2.68 O ATOM 911 OE2 GLU A 58 -13.050 16.561 4.305 1.00 3.27 O ATOM 0 H GLU A 58 -11.957 16.309 -1.180 1.00 1.46 H new ATOM 0 HA GLU A 58 -10.076 17.424 0.636 1.00 1.49 H new ATOM 0 HB2 GLU A 58 -12.453 17.019 1.115 1.00 1.67 H new ATOM 0 HB3 GLU A 58 -12.235 15.296 0.885 1.00 1.67 H new ATOM 0 HG2 GLU A 58 -10.618 15.276 2.822 1.00 1.92 H new ATOM 0 HG3 GLU A 58 -10.940 16.980 3.076 1.00 1.92 H new ATOM 918 N LYS A 59 -9.660 14.196 -0.032 1.00 1.11 N ATOM 919 CA LYS A 59 -8.632 13.164 -0.036 1.00 1.03 C ATOM 920 C LYS A 59 -7.418 13.659 -0.824 1.00 0.98 C ATOM 921 O LYS A 59 -6.297 13.393 -0.409 1.00 0.95 O ATOM 922 CB LYS A 59 -9.118 11.810 -0.583 1.00 1.03 C ATOM 923 CG LYS A 59 -10.060 11.012 0.334 1.00 1.25 C ATOM 924 CD LYS A 59 -11.530 11.454 0.270 1.00 1.97 C ATOM 925 CE LYS A 59 -11.940 12.259 1.513 1.00 2.19 C ATOM 926 NZ LYS A 59 -13.307 12.810 1.406 1.00 3.25 N ATOM 0 H LYS A 59 -10.545 13.915 -0.455 1.00 1.11 H new ATOM 0 HA LYS A 59 -8.359 12.982 1.003 1.00 1.03 H new ATOM 0 HB2 LYS A 59 -9.628 11.985 -1.530 1.00 1.03 H new ATOM 0 HB3 LYS A 59 -8.245 11.194 -0.799 1.00 1.03 H new ATOM 0 HG2 LYS A 59 -9.998 9.957 0.068 1.00 1.25 H new ATOM 0 HG3 LYS A 59 -9.710 11.103 1.362 1.00 1.25 H new ATOM 0 HD2 LYS A 59 -11.689 12.059 -0.623 1.00 1.97 H new ATOM 0 HD3 LYS A 59 -12.170 10.576 0.179 1.00 1.97 H new ATOM 0 HE2 LYS A 59 -11.878 11.619 2.393 1.00 2.19 H new ATOM 0 HE3 LYS A 59 -11.233 13.075 1.662 1.00 2.19 H new ATOM 0 HZ1 LYS A 59 -13.372 13.688 1.959 1.00 3.25 H new ATOM 0 HZ2 LYS A 59 -13.523 13.012 0.409 1.00 3.25 H new ATOM 0 HZ3 LYS A 59 -13.990 12.118 1.774 1.00 3.25 H new ATOM 940 N MET A 60 -7.616 14.395 -1.925 1.00 1.02 N ATOM 941 CA MET A 60 -6.497 15.010 -2.643 1.00 1.05 C ATOM 942 C MET A 60 -5.653 15.842 -1.676 1.00 1.00 C ATOM 943 O MET A 60 -4.448 15.626 -1.566 1.00 0.99 O ATOM 944 CB MET A 60 -6.983 15.845 -3.839 1.00 1.23 C ATOM 945 CG MET A 60 -5.853 16.219 -4.810 1.00 1.23 C ATOM 946 SD MET A 60 -5.789 17.954 -5.335 1.00 1.75 S ATOM 947 CE MET A 60 -5.172 18.737 -3.831 1.00 1.88 C ATOM 0 H MET A 60 -8.533 14.577 -2.334 1.00 1.02 H new ATOM 0 HA MET A 60 -5.870 14.218 -3.052 1.00 1.05 H new ATOM 0 HB2 MET A 60 -7.748 15.286 -4.378 1.00 1.23 H new ATOM 0 HB3 MET A 60 -7.455 16.756 -3.471 1.00 1.23 H new ATOM 0 HG2 MET A 60 -4.902 15.968 -4.341 1.00 1.23 H new ATOM 0 HG3 MET A 60 -5.945 15.595 -5.699 1.00 1.23 H new ATOM 0 HE1 MET A 60 -5.077 19.811 -3.992 1.00 1.88 H new ATOM 0 HE2 MET A 60 -5.869 18.553 -3.013 1.00 1.88 H new ATOM 0 HE3 MET A 60 -4.197 18.321 -3.578 1.00 1.88 H new ATOM 957 N LYS A 61 -6.291 16.762 -0.947 1.00 1.03 N ATOM 958 CA LYS A 61 -5.596 17.575 0.043 1.00 1.04 C ATOM 959 C LYS A 61 -4.892 16.717 1.099 1.00 1.00 C ATOM 960 O LYS A 61 -3.763 17.027 1.467 1.00 1.08 O ATOM 961 CB LYS A 61 -6.549 18.588 0.687 1.00 1.10 C ATOM 962 CG LYS A 61 -6.994 19.641 -0.333 1.00 1.40 C ATOM 963 CD LYS A 61 -7.915 20.660 0.342 1.00 1.61 C ATOM 964 CE LYS A 61 -8.398 21.687 -0.688 1.00 2.26 C ATOM 965 NZ LYS A 61 -9.293 22.692 -0.080 1.00 3.26 N ATOM 0 H LYS A 61 -7.289 16.959 -1.027 1.00 1.03 H new ATOM 0 HA LYS A 61 -4.818 18.131 -0.481 1.00 1.04 H new ATOM 0 HB2 LYS A 61 -7.421 18.071 1.086 1.00 1.10 H new ATOM 0 HB3 LYS A 61 -6.055 19.075 1.528 1.00 1.10 H new ATOM 0 HG2 LYS A 61 -6.123 20.146 -0.752 1.00 1.40 H new ATOM 0 HG3 LYS A 61 -7.514 19.161 -1.162 1.00 1.40 H new ATOM 0 HD2 LYS A 61 -8.769 20.151 0.790 1.00 1.61 H new ATOM 0 HD3 LYS A 61 -7.385 21.164 1.150 1.00 1.61 H new ATOM 0 HE2 LYS A 61 -7.538 22.188 -1.133 1.00 2.26 H new ATOM 0 HE3 LYS A 61 -8.922 21.174 -1.495 1.00 2.26 H new ATOM 0 HZ1 LYS A 61 -9.599 23.369 -0.807 1.00 3.26 H new ATOM 0 HZ2 LYS A 61 -10.126 22.217 0.323 1.00 3.26 H new ATOM 0 HZ3 LYS A 61 -8.785 23.199 0.673 1.00 3.26 H new ATOM 979 N SER A 62 -5.526 15.641 1.588 1.00 0.96 N ATOM 980 CA SER A 62 -4.830 14.710 2.477 1.00 0.98 C ATOM 981 C SER A 62 -3.560 14.190 1.805 1.00 1.02 C ATOM 982 O SER A 62 -2.475 14.281 2.376 1.00 1.24 O ATOM 983 CB SER A 62 -5.721 13.532 2.904 1.00 1.06 C ATOM 984 OG SER A 62 -4.970 12.553 3.617 1.00 2.22 O ATOM 0 H SER A 62 -6.497 15.400 1.387 1.00 0.96 H new ATOM 0 HA SER A 62 -4.567 15.262 3.380 1.00 0.98 H new ATOM 0 HB2 SER A 62 -6.536 13.896 3.530 1.00 1.06 H new ATOM 0 HB3 SER A 62 -6.174 13.077 2.023 1.00 1.06 H new ATOM 0 HG SER A 62 -5.292 11.658 3.381 1.00 2.22 H new ATOM 990 N LEU A 63 -3.706 13.575 0.630 1.00 0.90 N ATOM 991 CA LEU A 63 -2.645 12.862 -0.062 1.00 0.93 C ATOM 992 C LEU A 63 -1.471 13.783 -0.354 1.00 0.95 C ATOM 993 O LEU A 63 -0.334 13.462 0.001 1.00 0.97 O ATOM 994 CB LEU A 63 -3.179 12.265 -1.365 1.00 1.00 C ATOM 995 CG LEU A 63 -4.165 11.117 -1.128 1.00 1.06 C ATOM 996 CD1 LEU A 63 -4.990 10.903 -2.395 1.00 1.56 C ATOM 997 CD2 LEU A 63 -3.432 9.822 -0.781 1.00 1.47 C ATOM 0 H LEU A 63 -4.592 13.562 0.125 1.00 0.90 H new ATOM 0 HA LEU A 63 -2.295 12.058 0.585 1.00 0.93 H new ATOM 0 HB2 LEU A 63 -3.670 13.047 -1.944 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -2.343 11.903 -1.964 1.00 1.00 H new ATOM 0 HG LEU A 63 -4.810 11.381 -0.290 1.00 1.06 H new ATOM 0 HD11 LEU A 63 -5.695 10.087 -2.236 1.00 1.56 H new ATOM 0 HD12 LEU A 63 -5.538 11.815 -2.631 1.00 1.56 H new ATOM 0 HD13 LEU A 63 -4.327 10.653 -3.223 1.00 1.56 H new ATOM 0 HD21 LEU A 63 -4.158 9.025 -0.618 1.00 1.47 H new ATOM 0 HD22 LEU A 63 -2.770 9.547 -1.602 1.00 1.47 H new ATOM 0 HD23 LEU A 63 -2.844 9.968 0.125 1.00 1.47 H new ATOM 1009 N ASP A 64 -1.752 14.917 -0.999 1.00 1.00 N ATOM 1010 CA ASP A 64 -0.751 15.910 -1.330 1.00 1.15 C ATOM 1011 C ASP A 64 -0.257 16.578 -0.053 1.00 1.27 C ATOM 1012 O ASP A 64 -0.639 17.705 0.254 1.00 1.46 O ATOM 1013 CB ASP A 64 -1.309 16.951 -2.313 1.00 1.33 C ATOM 1014 CG ASP A 64 -1.323 16.478 -3.749 1.00 1.20 C ATOM 1015 OD1 ASP A 64 -0.245 16.000 -4.168 1.00 1.64 O ATOM 1016 OD2 ASP A 64 -2.352 16.668 -4.424 1.00 2.12 O ATOM 0 H ASP A 64 -2.693 15.166 -1.305 1.00 1.00 H new ATOM 0 HA ASP A 64 0.088 15.416 -1.821 1.00 1.15 H new ATOM 0 HB2 ASP A 64 -2.324 17.213 -2.015 1.00 1.33 H new ATOM 0 HB3 ASP A 64 -0.712 17.861 -2.244 1.00 1.33 H new ATOM 1021 N VAL A 65 0.665 15.915 0.646 1.00 1.26 N ATOM 1022 CA VAL A 65 1.368 16.460 1.801 1.00 1.46 C ATOM 1023 C VAL A 65 1.898 17.875 1.528 1.00 1.46 C ATOM 1024 O VAL A 65 1.963 18.695 2.440 1.00 1.62 O ATOM 1025 CB VAL A 65 2.497 15.510 2.244 1.00 1.54 C ATOM 1026 CG1 VAL A 65 1.935 14.164 2.714 1.00 1.82 C ATOM 1027 CG2 VAL A 65 3.544 15.264 1.146 1.00 1.56 C ATOM 0 H VAL A 65 0.948 14.962 0.417 1.00 1.26 H new ATOM 0 HA VAL A 65 0.653 16.543 2.620 1.00 1.46 H new ATOM 0 HB VAL A 65 2.996 16.013 3.073 1.00 1.54 H new ATOM 0 HG11 VAL A 65 2.755 13.514 3.020 1.00 1.82 H new ATOM 0 HG12 VAL A 65 1.264 14.325 3.558 1.00 1.82 H new ATOM 0 HG13 VAL A 65 1.385 13.694 1.898 1.00 1.82 H new ATOM 0 HG21 VAL A 65 4.312 14.587 1.521 1.00 1.56 H new ATOM 0 HG22 VAL A 65 3.061 14.819 0.276 1.00 1.56 H new ATOM 0 HG23 VAL A 65 4.003 16.211 0.862 1.00 1.56 H new ATOM 1037 N ASN A 66 2.292 18.154 0.278 1.00 1.32 N ATOM 1038 CA ASN A 66 2.813 19.452 -0.133 1.00 1.35 C ATOM 1039 C ASN A 66 1.740 20.398 -0.687 1.00 1.40 C ATOM 1040 O ASN A 66 2.035 21.573 -0.881 1.00 1.54 O ATOM 1041 CB ASN A 66 3.953 19.263 -1.140 1.00 1.36 C ATOM 1042 CG ASN A 66 3.497 18.848 -2.540 1.00 1.31 C ATOM 1043 OD1 ASN A 66 2.462 18.205 -2.741 1.00 1.36 O ATOM 1044 ND2 ASN A 66 4.296 19.190 -3.541 1.00 2.24 N ATOM 0 H ASN A 66 2.255 17.473 -0.480 1.00 1.32 H new ATOM 0 HA ASN A 66 3.195 19.937 0.765 1.00 1.35 H new ATOM 0 HB2 ASN A 66 4.513 20.195 -1.215 1.00 1.36 H new ATOM 0 HB3 ASN A 66 4.639 18.508 -0.756 1.00 1.36 H new ATOM 0 HD21 ASN A 66 4.060 18.922 -4.496 1.00 2.24 H new ATOM 0 HD22 ASN A 66 5.147 19.721 -3.356 1.00 2.24 H new ATOM 1051 N GLN A 67 0.527 19.902 -0.962 1.00 1.36 N ATOM 1052 CA GLN A 67 -0.577 20.643 -1.560 1.00 1.41 C ATOM 1053 C GLN A 67 -0.103 21.475 -2.754 1.00 1.47 C ATOM 1054 O GLN A 67 -0.264 22.694 -2.781 1.00 1.70 O ATOM 1055 CB GLN A 67 -1.350 21.438 -0.496 1.00 1.59 C ATOM 1056 CG GLN A 67 -2.740 21.842 -1.022 1.00 1.83 C ATOM 1057 CD GLN A 67 -3.578 22.579 0.017 1.00 2.22 C ATOM 1058 OE1 GLN A 67 -4.720 22.210 0.287 1.00 2.46 O ATOM 1059 NE2 GLN A 67 -3.034 23.643 0.600 1.00 3.40 N ATOM 0 H GLN A 67 0.284 18.932 -0.763 1.00 1.36 H new ATOM 0 HA GLN A 67 -1.298 19.937 -1.972 1.00 1.41 H new ATOM 0 HB2 GLN A 67 -1.458 20.837 0.407 1.00 1.59 H new ATOM 0 HB3 GLN A 67 -0.787 22.330 -0.220 1.00 1.59 H new ATOM 0 HG2 GLN A 67 -2.620 22.476 -1.900 1.00 1.83 H new ATOM 0 HG3 GLN A 67 -3.274 20.948 -1.345 1.00 1.83 H new ATOM 0 HE21 GLN A 67 -2.085 23.928 0.358 1.00 3.40 H new ATOM 0 HE22 GLN A 67 -3.566 24.175 1.289 1.00 3.40 H new ATOM 1068 N ASP A 68 0.462 20.786 -3.750 1.00 1.36 N ATOM 1069 CA ASP A 68 0.683 21.335 -5.077 1.00 1.41 C ATOM 1070 C ASP A 68 -0.675 21.299 -5.790 1.00 1.81 C ATOM 1071 O ASP A 68 -1.529 22.147 -5.549 1.00 3.29 O ATOM 1072 CB ASP A 68 1.834 20.573 -5.792 1.00 1.19 C ATOM 1073 CG ASP A 68 1.815 19.054 -5.642 1.00 1.17 C ATOM 1074 OD1 ASP A 68 0.741 18.468 -5.408 1.00 1.36 O ATOM 1075 OD2 ASP A 68 2.868 18.381 -5.605 1.00 1.10 O ATOM 0 H ASP A 68 0.780 19.822 -3.649 1.00 1.36 H new ATOM 0 HA ASP A 68 1.027 22.369 -5.064 1.00 1.41 H new ATOM 0 HB2 ASP A 68 1.801 20.815 -6.854 1.00 1.19 H new ATOM 0 HB3 ASP A 68 2.784 20.946 -5.410 1.00 1.19 H new ATOM 1080 N SER A 69 -0.869 20.278 -6.617 1.00 1.20 N ATOM 1081 CA SER A 69 -2.097 19.724 -7.183 1.00 1.22 C ATOM 1082 C SER A 69 -1.660 18.569 -8.092 1.00 1.12 C ATOM 1083 O SER A 69 -2.102 18.477 -9.237 1.00 1.32 O ATOM 1084 CB SER A 69 -2.909 20.771 -7.968 1.00 1.30 C ATOM 1085 OG SER A 69 -3.644 21.620 -7.110 1.00 1.80 O ATOM 0 H SER A 69 -0.063 19.749 -6.950 1.00 1.20 H new ATOM 0 HA SER A 69 -2.761 19.384 -6.388 1.00 1.22 H new ATOM 0 HB2 SER A 69 -2.234 21.370 -8.580 1.00 1.30 H new ATOM 0 HB3 SER A 69 -3.592 20.264 -8.649 1.00 1.30 H new ATOM 0 HG SER A 69 -3.087 21.874 -6.345 1.00 1.80 H new ATOM 1091 N GLU A 70 -0.729 17.733 -7.618 1.00 1.07 N ATOM 1092 CA GLU A 70 -0.055 16.741 -8.441 1.00 0.98 C ATOM 1093 C GLU A 70 0.344 15.624 -7.497 1.00 0.85 C ATOM 1094 O GLU A 70 1.192 15.823 -6.623 1.00 0.90 O ATOM 1095 CB GLU A 70 1.162 17.365 -9.146 1.00 1.22 C ATOM 1096 CG GLU A 70 1.660 16.550 -10.356 1.00 1.44 C ATOM 1097 CD GLU A 70 2.843 15.650 -10.034 1.00 2.69 C ATOM 1098 OE1 GLU A 70 2.895 15.063 -8.934 1.00 4.01 O ATOM 1099 OE2 GLU A 70 3.775 15.549 -10.866 1.00 3.15 O ATOM 0 H GLU A 70 -0.425 17.732 -6.644 1.00 1.07 H new ATOM 0 HA GLU A 70 -0.697 16.360 -9.235 1.00 0.98 H new ATOM 0 HB2 GLU A 70 0.903 18.370 -9.478 1.00 1.22 H new ATOM 0 HB3 GLU A 70 1.975 17.466 -8.427 1.00 1.22 H new ATOM 0 HG2 GLU A 70 0.841 15.939 -10.735 1.00 1.44 H new ATOM 0 HG3 GLU A 70 1.942 17.236 -11.155 1.00 1.44 H new ATOM 1106 N LEU A 71 -0.323 14.485 -7.622 1.00 0.78 N ATOM 1107 CA LEU A 71 -0.122 13.354 -6.751 1.00 0.75 C ATOM 1108 C LEU A 71 1.065 12.597 -7.336 1.00 0.79 C ATOM 1109 O LEU A 71 0.904 11.793 -8.258 1.00 0.84 O ATOM 1110 CB LEU A 71 -1.387 12.485 -6.726 1.00 0.73 C ATOM 1111 CG LEU A 71 -2.665 13.074 -6.103 1.00 0.77 C ATOM 1112 CD1 LEU A 71 -2.532 13.199 -4.586 1.00 0.88 C ATOM 1113 CD2 LEU A 71 -3.136 14.384 -6.740 1.00 0.90 C ATOM 0 H LEU A 71 -1.026 14.327 -8.343 1.00 0.78 H new ATOM 0 HA LEU A 71 0.074 13.649 -5.720 1.00 0.75 H new ATOM 0 HB2 LEU A 71 -1.617 12.204 -7.754 1.00 0.73 H new ATOM 0 HB3 LEU A 71 -1.149 11.566 -6.190 1.00 0.73 H new ATOM 0 HG LEU A 71 -3.454 12.356 -6.326 1.00 0.77 H new ATOM 0 HD11 LEU A 71 -3.450 13.618 -4.174 1.00 0.88 H new ATOM 0 HD12 LEU A 71 -2.356 12.214 -4.154 1.00 0.88 H new ATOM 0 HD13 LEU A 71 -1.695 13.855 -4.347 1.00 0.88 H new ATOM 0 HD21 LEU A 71 -4.042 14.727 -6.240 1.00 0.90 H new ATOM 0 HD22 LEU A 71 -2.357 15.139 -6.638 1.00 0.90 H new ATOM 0 HD23 LEU A 71 -3.346 14.220 -7.797 1.00 0.90 H new ATOM 1125 N LYS A 72 2.270 12.871 -6.833 1.00 0.85 N ATOM 1126 CA LYS A 72 3.447 12.136 -7.250 1.00 0.93 C ATOM 1127 C LYS A 72 3.284 10.688 -6.787 1.00 0.79 C ATOM 1128 O LYS A 72 2.599 10.446 -5.796 1.00 0.78 O ATOM 1129 CB LYS A 72 4.696 12.822 -6.682 1.00 1.19 C ATOM 1130 CG LYS A 72 5.987 12.345 -7.367 1.00 1.06 C ATOM 1131 CD LYS A 72 6.949 13.498 -7.693 1.00 1.67 C ATOM 1132 CE LYS A 72 6.609 14.219 -9.013 1.00 2.72 C ATOM 1133 NZ LYS A 72 5.454 15.135 -8.923 1.00 3.24 N ATOM 0 H LYS A 72 2.448 13.596 -6.138 1.00 0.85 H new ATOM 0 HA LYS A 72 3.565 12.128 -8.334 1.00 0.93 H new ATOM 0 HB2 LYS A 72 4.601 13.901 -6.802 1.00 1.19 H new ATOM 0 HB3 LYS A 72 4.761 12.625 -5.612 1.00 1.19 H new ATOM 0 HG2 LYS A 72 6.493 11.628 -6.720 1.00 1.06 H new ATOM 0 HG3 LYS A 72 5.732 11.820 -8.287 1.00 1.06 H new ATOM 0 HD2 LYS A 72 6.930 14.220 -6.877 1.00 1.67 H new ATOM 0 HD3 LYS A 72 7.966 13.109 -7.751 1.00 1.67 H new ATOM 0 HE2 LYS A 72 7.482 14.784 -9.340 1.00 2.72 H new ATOM 0 HE3 LYS A 72 6.407 13.472 -9.780 1.00 2.72 H new ATOM 0 HZ1 LYS A 72 5.269 15.554 -9.857 1.00 3.24 H new ATOM 0 HZ2 LYS A 72 4.615 14.606 -8.608 1.00 3.24 H new ATOM 0 HZ3 LYS A 72 5.663 15.891 -8.240 1.00 3.24 H new ATOM 1147 N PHE A 73 3.887 9.727 -7.494 1.00 0.76 N ATOM 1148 CA PHE A 73 3.668 8.299 -7.276 1.00 0.72 C ATOM 1149 C PHE A 73 3.541 7.916 -5.795 1.00 0.64 C ATOM 1150 O PHE A 73 2.547 7.312 -5.396 1.00 0.66 O ATOM 1151 CB PHE A 73 4.760 7.486 -7.997 1.00 0.75 C ATOM 1152 CG PHE A 73 6.192 7.878 -7.665 1.00 2.17 C ATOM 1153 CD1 PHE A 73 6.861 7.271 -6.588 1.00 3.53 C ATOM 1154 CD2 PHE A 73 6.858 8.852 -8.435 1.00 3.57 C ATOM 1155 CE1 PHE A 73 8.148 7.705 -6.219 1.00 5.25 C ATOM 1156 CE2 PHE A 73 8.158 9.262 -8.088 1.00 5.23 C ATOM 1157 CZ PHE A 73 8.796 8.700 -6.970 1.00 5.86 C ATOM 0 H PHE A 73 4.550 9.925 -8.244 1.00 0.76 H new ATOM 0 HA PHE A 73 2.700 8.049 -7.710 1.00 0.72 H new ATOM 0 HB2 PHE A 73 4.624 6.432 -7.754 1.00 0.75 H new ATOM 0 HB3 PHE A 73 4.614 7.587 -9.072 1.00 0.75 H new ATOM 0 HD1 PHE A 73 6.386 6.469 -6.042 1.00 3.53 H new ATOM 0 HD2 PHE A 73 6.369 9.285 -9.295 1.00 3.57 H new ATOM 0 HE1 PHE A 73 8.637 7.273 -5.359 1.00 5.25 H new ATOM 0 HE2 PHE A 73 8.665 10.009 -8.681 1.00 5.23 H new ATOM 0 HZ PHE A 73 9.784 9.033 -6.688 1.00 5.86 H new ATOM 1167 N ASN A 74 4.524 8.286 -4.971 1.00 0.61 N ATOM 1168 CA ASN A 74 4.537 7.919 -3.559 1.00 0.60 C ATOM 1169 C ASN A 74 3.508 8.711 -2.734 1.00 0.73 C ATOM 1170 O ASN A 74 3.030 8.200 -1.724 1.00 0.86 O ATOM 1171 CB ASN A 74 5.962 7.994 -3.001 1.00 0.65 C ATOM 1172 CG ASN A 74 6.023 7.611 -1.526 1.00 0.98 C ATOM 1173 OD1 ASN A 74 6.235 6.447 -1.200 1.00 1.78 O ATOM 1174 ND2 ASN A 74 5.884 8.579 -0.624 1.00 1.47 N ATOM 0 H ASN A 74 5.326 8.844 -5.264 1.00 0.61 H new ATOM 0 HA ASN A 74 4.216 6.881 -3.473 1.00 0.60 H new ATOM 0 HB2 ASN A 74 6.610 7.331 -3.574 1.00 0.65 H new ATOM 0 HB3 ASN A 74 6.348 9.005 -3.128 1.00 0.65 H new ATOM 0 HD21 ASN A 74 5.953 8.363 0.371 1.00 1.47 H new ATOM 0 HD22 ASN A 74 5.708 9.537 -0.927 1.00 1.47 H new ATOM 1181 N GLU A 75 3.136 9.930 -3.153 1.00 0.73 N ATOM 1182 CA GLU A 75 2.013 10.638 -2.543 1.00 0.78 C ATOM 1183 C GLU A 75 0.737 9.850 -2.841 1.00 0.78 C ATOM 1184 O GLU A 75 0.046 9.399 -1.927 1.00 0.89 O ATOM 1185 CB GLU A 75 1.874 12.077 -3.080 1.00 0.81 C ATOM 1186 CG GLU A 75 3.081 12.991 -2.835 1.00 0.97 C ATOM 1187 CD GLU A 75 2.828 14.361 -3.448 1.00 0.97 C ATOM 1188 OE1 GLU A 75 2.780 14.500 -4.687 1.00 1.49 O ATOM 1189 OE2 GLU A 75 2.573 15.358 -2.743 1.00 2.13 O ATOM 0 H GLU A 75 3.597 10.439 -3.907 1.00 0.73 H new ATOM 0 HA GLU A 75 2.187 10.713 -1.470 1.00 0.78 H new ATOM 0 HB2 GLU A 75 1.688 12.030 -4.153 1.00 0.81 H new ATOM 0 HB3 GLU A 75 0.996 12.534 -2.624 1.00 0.81 H new ATOM 0 HG2 GLU A 75 3.262 13.090 -1.765 1.00 0.97 H new ATOM 0 HG3 GLU A 75 3.977 12.548 -3.270 1.00 0.97 H new ATOM 1196 N TYR A 76 0.442 9.680 -4.136 1.00 0.76 N ATOM 1197 CA TYR A 76 -0.759 9.010 -4.618 1.00 0.78 C ATOM 1198 C TYR A 76 -0.934 7.671 -3.925 1.00 0.74 C ATOM 1199 O TYR A 76 -2.016 7.356 -3.430 1.00 0.76 O ATOM 1200 CB TYR A 76 -0.675 8.757 -6.125 1.00 0.79 C ATOM 1201 CG TYR A 76 -1.988 8.240 -6.675 1.00 1.09 C ATOM 1202 CD1 TYR A 76 -2.971 9.155 -7.090 1.00 2.66 C ATOM 1203 CD2 TYR A 76 -2.243 6.858 -6.757 1.00 1.41 C ATOM 1204 CE1 TYR A 76 -4.155 8.695 -7.678 1.00 3.21 C ATOM 1205 CE2 TYR A 76 -3.452 6.399 -7.308 1.00 1.71 C ATOM 1206 CZ TYR A 76 -4.400 7.319 -7.783 1.00 2.33 C ATOM 1207 OH TYR A 76 -5.529 6.873 -8.397 1.00 3.06 O ATOM 0 H TYR A 76 1.047 10.013 -4.887 1.00 0.76 H new ATOM 0 HA TYR A 76 -1.605 9.661 -4.399 1.00 0.78 H new ATOM 0 HB2 TYR A 76 -0.404 9.681 -6.636 1.00 0.79 H new ATOM 0 HB3 TYR A 76 0.116 8.036 -6.330 1.00 0.79 H new ATOM 0 HD1 TYR A 76 -2.812 10.215 -6.955 1.00 2.66 H new ATOM 0 HD2 TYR A 76 -1.510 6.151 -6.397 1.00 1.41 H new ATOM 0 HE1 TYR A 76 -4.881 9.402 -8.052 1.00 3.21 H new ATOM 0 HE2 TYR A 76 -3.651 5.339 -7.366 1.00 1.71 H new ATOM 0 HH TYR A 76 -5.800 7.513 -9.088 1.00 3.06 H new ATOM 1217 N TRP A 77 0.155 6.895 -3.921 1.00 0.69 N ATOM 1218 CA TRP A 77 0.234 5.570 -3.347 1.00 0.65 C ATOM 1219 C TRP A 77 -0.535 5.487 -2.026 1.00 0.60 C ATOM 1220 O TRP A 77 -1.257 4.511 -1.826 1.00 0.61 O ATOM 1221 CB TRP A 77 1.708 5.151 -3.221 1.00 0.71 C ATOM 1222 CG TRP A 77 2.030 4.240 -2.086 1.00 0.73 C ATOM 1223 CD1 TRP A 77 2.405 4.677 -0.866 1.00 1.88 C ATOM 1224 CD2 TRP A 77 1.900 2.790 -1.967 1.00 1.56 C ATOM 1225 NE1 TRP A 77 2.526 3.621 -0.006 1.00 1.79 N ATOM 1226 CE2 TRP A 77 2.244 2.439 -0.630 1.00 1.30 C ATOM 1227 CE3 TRP A 77 1.472 1.736 -2.808 1.00 3.30 C ATOM 1228 CZ2 TRP A 77 2.177 1.136 -0.144 1.00 2.15 C ATOM 1229 CZ3 TRP A 77 1.380 0.421 -2.306 1.00 4.16 C ATOM 1230 CH2 TRP A 77 1.742 0.124 -0.997 1.00 3.59 C ATOM 0 H TRP A 77 1.036 7.196 -4.338 1.00 0.69 H new ATOM 0 HA TRP A 77 -0.253 4.856 -4.011 1.00 0.65 H new ATOM 0 HB2 TRP A 77 2.008 4.664 -4.149 1.00 0.71 H new ATOM 0 HB3 TRP A 77 2.315 6.051 -3.123 1.00 0.71 H new ATOM 0 HD1 TRP A 77 2.584 5.710 -0.607 1.00 1.88 H new ATOM 0 HE1 TRP A 77 2.792 3.705 0.975 1.00 1.79 H new ATOM 0 HE3 TRP A 77 1.215 1.939 -3.837 1.00 3.30 H new ATOM 0 HZ2 TRP A 77 2.457 0.914 0.875 1.00 2.15 H new ATOM 0 HZ3 TRP A 77 1.022 -0.369 -2.950 1.00 4.16 H new ATOM 0 HH2 TRP A 77 1.686 -0.894 -0.640 1.00 3.59 H new ATOM 1241 N ARG A 78 -0.432 6.496 -1.142 1.00 0.62 N ATOM 1242 CA ARG A 78 -1.124 6.438 0.142 1.00 0.66 C ATOM 1243 C ARG A 78 -2.590 6.058 -0.014 1.00 0.58 C ATOM 1244 O ARG A 78 -3.076 5.294 0.809 1.00 0.62 O ATOM 1245 CB ARG A 78 -1.040 7.730 0.971 1.00 0.95 C ATOM 1246 CG ARG A 78 -0.390 7.485 2.342 1.00 2.02 C ATOM 1247 CD ARG A 78 -0.937 8.469 3.383 1.00 2.48 C ATOM 1248 NE ARG A 78 -0.709 9.861 2.977 1.00 2.17 N ATOM 1249 CZ ARG A 78 -1.547 10.906 3.096 1.00 2.79 C ATOM 1250 NH1 ARG A 78 -2.832 10.775 3.462 1.00 3.54 N ATOM 1251 NH2 ARG A 78 -1.047 12.113 2.824 1.00 3.74 N ATOM 0 H ARG A 78 0.115 7.343 -1.296 1.00 0.62 H new ATOM 0 HA ARG A 78 -0.589 5.661 0.688 1.00 0.66 H new ATOM 0 HB2 ARG A 78 -0.465 8.477 0.424 1.00 0.95 H new ATOM 0 HB3 ARG A 78 -2.041 8.138 1.111 1.00 0.95 H new ATOM 0 HG2 ARG A 78 -0.583 6.462 2.664 1.00 2.02 H new ATOM 0 HG3 ARG A 78 0.691 7.595 2.263 1.00 2.02 H new ATOM 0 HD2 ARG A 78 -2.005 8.299 3.521 1.00 2.48 H new ATOM 0 HD3 ARG A 78 -0.459 8.286 4.345 1.00 2.48 H new ATOM 0 HE ARG A 78 0.197 10.060 2.552 1.00 2.17 H new ATOM 0 HH11 ARG A 78 -3.213 9.851 3.664 1.00 3.54 H new ATOM 0 HH12 ARG A 78 -3.427 11.600 3.538 1.00 3.54 H new ATOM 0 HH21 ARG A 78 -0.072 12.209 2.541 1.00 3.74 H new ATOM 0 HH22 ARG A 78 -1.640 12.939 2.899 1.00 3.74 H new ATOM 1265 N LEU A 79 -3.285 6.554 -1.046 1.00 0.58 N ATOM 1266 CA LEU A 79 -4.676 6.221 -1.291 1.00 0.67 C ATOM 1267 C LEU A 79 -4.901 4.719 -1.171 1.00 0.73 C ATOM 1268 O LEU A 79 -5.830 4.305 -0.481 1.00 0.83 O ATOM 1269 CB LEU A 79 -5.090 6.690 -2.692 1.00 0.75 C ATOM 1270 CG LEU A 79 -6.603 6.526 -2.907 1.00 0.83 C ATOM 1271 CD1 LEU A 79 -7.336 7.758 -2.378 1.00 0.97 C ATOM 1272 CD2 LEU A 79 -6.896 6.309 -4.396 1.00 0.75 C ATOM 0 H LEU A 79 -2.889 7.198 -1.730 1.00 0.58 H new ATOM 0 HA LEU A 79 -5.285 6.728 -0.542 1.00 0.67 H new ATOM 0 HB2 LEU A 79 -4.812 7.735 -2.826 1.00 0.75 H new ATOM 0 HB3 LEU A 79 -4.549 6.117 -3.445 1.00 0.75 H new ATOM 0 HG LEU A 79 -6.958 5.654 -2.358 1.00 0.83 H new ATOM 0 HD11 LEU A 79 -8.408 7.638 -2.532 1.00 0.97 H new ATOM 0 HD12 LEU A 79 -7.133 7.873 -1.313 1.00 0.97 H new ATOM 0 HD13 LEU A 79 -6.990 8.644 -2.911 1.00 0.97 H new ATOM 0 HD21 LEU A 79 -7.970 6.193 -4.542 1.00 0.75 H new ATOM 0 HD22 LEU A 79 -6.543 7.169 -4.965 1.00 0.75 H new ATOM 0 HD23 LEU A 79 -6.384 5.410 -4.740 1.00 0.75 H new ATOM 1284 N ILE A 80 -4.044 3.918 -1.821 1.00 0.75 N ATOM 1285 CA ILE A 80 -4.158 2.477 -1.845 1.00 0.88 C ATOM 1286 C ILE A 80 -4.056 1.971 -0.406 1.00 1.00 C ATOM 1287 O ILE A 80 -4.730 1.019 -0.021 1.00 1.14 O ATOM 1288 CB ILE A 80 -3.097 1.892 -2.801 1.00 0.88 C ATOM 1289 CG1 ILE A 80 -3.383 2.325 -4.256 1.00 0.93 C ATOM 1290 CG2 ILE A 80 -3.179 0.354 -2.791 1.00 1.05 C ATOM 1291 CD1 ILE A 80 -2.506 3.482 -4.731 1.00 1.84 C ATOM 0 H ILE A 80 -3.245 4.271 -2.348 1.00 0.75 H new ATOM 0 HA ILE A 80 -5.120 2.146 -2.236 1.00 0.88 H new ATOM 0 HB ILE A 80 -2.122 2.249 -2.468 1.00 0.88 H new ATOM 0 HG12 ILE A 80 -3.234 1.471 -4.917 1.00 0.93 H new ATOM 0 HG13 ILE A 80 -4.430 2.615 -4.341 1.00 0.93 H new ATOM 0 HG21 ILE A 80 -2.428 -0.055 -3.467 1.00 1.05 H new ATOM 0 HG22 ILE A 80 -2.996 -0.014 -1.781 1.00 1.05 H new ATOM 0 HG23 ILE A 80 -4.171 0.040 -3.117 1.00 1.05 H new ATOM 0 HD11 ILE A 80 -2.761 3.733 -5.761 1.00 1.84 H new ATOM 0 HD12 ILE A 80 -2.673 4.350 -4.094 1.00 1.84 H new ATOM 0 HD13 ILE A 80 -1.457 3.189 -4.678 1.00 1.84 H new ATOM 1303 N GLY A 81 -3.246 2.643 0.411 1.00 1.01 N ATOM 1304 CA GLY A 81 -3.005 2.287 1.786 1.00 1.10 C ATOM 1305 C GLY A 81 -4.211 2.550 2.623 1.00 1.08 C ATOM 1306 O GLY A 81 -4.622 1.714 3.420 1.00 1.26 O ATOM 0 H GLY A 81 -2.730 3.472 0.115 1.00 1.01 H new ATOM 0 HA2 GLY A 81 -2.735 1.233 1.851 1.00 1.10 H new ATOM 0 HA3 GLY A 81 -2.159 2.857 2.171 1.00 1.10 H new ATOM 1310 N GLU A 82 -4.742 3.750 2.444 1.00 0.94 N ATOM 1311 CA GLU A 82 -5.883 4.212 3.177 1.00 1.02 C ATOM 1312 C GLU A 82 -6.977 3.208 2.851 1.00 1.10 C ATOM 1313 O GLU A 82 -7.384 2.482 3.737 1.00 1.10 O ATOM 1314 CB GLU A 82 -6.175 5.681 2.849 1.00 0.97 C ATOM 1315 CG GLU A 82 -4.872 6.524 2.912 1.00 0.90 C ATOM 1316 CD GLU A 82 -4.785 7.469 4.100 1.00 1.32 C ATOM 1317 OE1 GLU A 82 -5.039 6.968 5.221 1.00 1.67 O ATOM 1318 OE2 GLU A 82 -4.364 8.630 3.890 1.00 2.74 O ATOM 0 H GLU A 82 -4.379 4.429 1.775 1.00 0.94 H new ATOM 0 HA GLU A 82 -5.752 4.241 4.259 1.00 1.02 H new ATOM 0 HB2 GLU A 82 -6.616 5.757 1.855 1.00 0.97 H new ATOM 0 HB3 GLU A 82 -6.906 6.078 3.553 1.00 0.97 H new ATOM 0 HG2 GLU A 82 -4.018 5.847 2.940 1.00 0.90 H new ATOM 0 HG3 GLU A 82 -4.787 7.106 1.995 1.00 0.90 H new ATOM 1325 N LEU A 83 -7.351 3.012 1.587 1.00 1.25 N ATOM 1326 CA LEU A 83 -8.362 2.001 1.290 1.00 1.39 C ATOM 1327 C LEU A 83 -8.025 0.582 1.799 1.00 1.24 C ATOM 1328 O LEU A 83 -8.899 -0.089 2.356 1.00 1.20 O ATOM 1329 CB LEU A 83 -8.832 2.060 -0.162 1.00 2.05 C ATOM 1330 CG LEU A 83 -7.764 1.920 -1.254 1.00 1.00 C ATOM 1331 CD1 LEU A 83 -7.570 0.481 -1.700 1.00 1.58 C ATOM 1332 CD2 LEU A 83 -8.109 2.742 -2.498 1.00 1.98 C ATOM 0 H LEU A 83 -6.985 3.519 0.781 1.00 1.25 H new ATOM 0 HA LEU A 83 -9.230 2.271 1.892 1.00 1.39 H new ATOM 0 HB2 LEU A 83 -9.570 1.272 -0.310 1.00 2.05 H new ATOM 0 HB3 LEU A 83 -9.345 3.010 -0.312 1.00 2.05 H new ATOM 0 HG LEU A 83 -6.845 2.289 -0.798 1.00 1.00 H new ATOM 0 HD11 LEU A 83 -6.803 0.440 -2.474 1.00 1.58 H new ATOM 0 HD12 LEU A 83 -7.259 -0.125 -0.849 1.00 1.58 H new ATOM 0 HD13 LEU A 83 -8.508 0.094 -2.098 1.00 1.58 H new ATOM 0 HD21 LEU A 83 -7.327 2.615 -3.247 1.00 1.98 H new ATOM 0 HD22 LEU A 83 -9.061 2.402 -2.906 1.00 1.98 H new ATOM 0 HD23 LEU A 83 -8.185 3.795 -2.228 1.00 1.98 H new ATOM 1344 N ALA A 84 -6.769 0.135 1.678 1.00 1.26 N ATOM 1345 CA ALA A 84 -6.319 -1.148 2.226 1.00 1.31 C ATOM 1346 C ALA A 84 -6.453 -1.207 3.750 1.00 1.14 C ATOM 1347 O ALA A 84 -6.532 -2.285 4.329 1.00 1.23 O ATOM 1348 CB ALA A 84 -4.871 -1.430 1.814 1.00 1.44 C ATOM 0 H ALA A 84 -6.036 0.655 1.196 1.00 1.26 H new ATOM 0 HA ALA A 84 -6.969 -1.918 1.810 1.00 1.31 H new ATOM 0 HB1 ALA A 84 -4.554 -2.386 2.230 1.00 1.44 H new ATOM 0 HB2 ALA A 84 -4.803 -1.467 0.727 1.00 1.44 H new ATOM 0 HB3 ALA A 84 -4.224 -0.638 2.192 1.00 1.44 H new ATOM 1354 N LYS A 85 -6.461 -0.051 4.408 1.00 1.04 N ATOM 1355 CA LYS A 85 -6.810 0.118 5.803 1.00 0.98 C ATOM 1356 C LYS A 85 -8.339 0.152 5.949 1.00 0.94 C ATOM 1357 O LYS A 85 -8.859 -0.514 6.839 1.00 0.98 O ATOM 1358 CB LYS A 85 -6.047 1.353 6.313 1.00 1.04 C ATOM 1359 CG LYS A 85 -6.579 2.151 7.508 1.00 1.05 C ATOM 1360 CD LYS A 85 -6.138 3.622 7.373 1.00 1.91 C ATOM 1361 CE LYS A 85 -4.625 3.763 7.117 1.00 1.22 C ATOM 1362 NZ LYS A 85 -4.205 5.158 6.874 1.00 1.27 N ATOM 0 H LYS A 85 -6.212 0.829 3.957 1.00 1.04 H new ATOM 0 HA LYS A 85 -6.506 -0.716 6.435 1.00 0.98 H new ATOM 0 HB2 LYS A 85 -5.038 1.027 6.566 1.00 1.04 H new ATOM 0 HB3 LYS A 85 -5.958 2.046 5.476 1.00 1.04 H new ATOM 0 HG2 LYS A 85 -7.666 2.087 7.548 1.00 1.05 H new ATOM 0 HG3 LYS A 85 -6.201 1.730 8.439 1.00 1.05 H new ATOM 0 HD2 LYS A 85 -6.687 4.089 6.555 1.00 1.91 H new ATOM 0 HD3 LYS A 85 -6.401 4.162 8.283 1.00 1.91 H new ATOM 0 HE2 LYS A 85 -4.079 3.370 7.975 1.00 1.22 H new ATOM 0 HE3 LYS A 85 -4.350 3.152 6.257 1.00 1.22 H new ATOM 0 HZ1 LYS A 85 -3.219 5.171 6.543 1.00 1.27 H new ATOM 0 HZ2 LYS A 85 -4.819 5.584 6.150 1.00 1.27 H new ATOM 0 HZ3 LYS A 85 -4.281 5.702 7.757 1.00 1.27 H new ATOM 1376 N GLU A 86 -9.078 0.881 5.102 1.00 0.95 N ATOM 1377 CA GLU A 86 -10.513 1.111 5.254 1.00 0.97 C ATOM 1378 C GLU A 86 -11.297 -0.198 5.194 1.00 1.00 C ATOM 1379 O GLU A 86 -12.281 -0.347 5.916 1.00 1.08 O ATOM 1380 CB GLU A 86 -11.030 2.148 4.235 1.00 1.08 C ATOM 1381 CG GLU A 86 -10.352 3.522 4.408 1.00 1.09 C ATOM 1382 CD GLU A 86 -10.627 4.124 5.776 1.00 1.49 C ATOM 1383 OE1 GLU A 86 -11.751 4.596 6.036 1.00 2.11 O ATOM 1384 OE2 GLU A 86 -9.746 4.036 6.661 1.00 2.24 O ATOM 0 H GLU A 86 -8.684 1.334 4.278 1.00 0.95 H new ATOM 0 HA GLU A 86 -10.678 1.534 6.245 1.00 0.97 H new ATOM 0 HB2 GLU A 86 -10.852 1.782 3.224 1.00 1.08 H new ATOM 0 HB3 GLU A 86 -12.108 2.260 4.348 1.00 1.08 H new ATOM 0 HG2 GLU A 86 -9.276 3.416 4.268 1.00 1.09 H new ATOM 0 HG3 GLU A 86 -10.708 4.202 3.634 1.00 1.09 H new ATOM 1391 N ILE A 87 -10.846 -1.168 4.386 1.00 1.04 N ATOM 1392 CA ILE A 87 -11.422 -2.509 4.391 1.00 1.12 C ATOM 1393 C ILE A 87 -11.544 -3.078 5.817 1.00 1.13 C ATOM 1394 O ILE A 87 -12.516 -3.764 6.138 1.00 1.28 O ATOM 1395 CB ILE A 87 -10.609 -3.442 3.473 1.00 1.15 C ATOM 1396 CG1 ILE A 87 -11.423 -4.713 3.178 1.00 1.21 C ATOM 1397 CG2 ILE A 87 -9.259 -3.820 4.086 1.00 1.21 C ATOM 1398 CD1 ILE A 87 -11.369 -5.030 1.690 1.00 1.37 C ATOM 0 H ILE A 87 -10.082 -1.043 3.722 1.00 1.04 H new ATOM 0 HA ILE A 87 -12.436 -2.441 3.998 1.00 1.12 H new ATOM 0 HB ILE A 87 -10.408 -2.903 2.547 1.00 1.15 H new ATOM 0 HG12 ILE A 87 -11.026 -5.551 3.752 1.00 1.21 H new ATOM 0 HG13 ILE A 87 -12.458 -4.574 3.492 1.00 1.21 H new ATOM 0 HG21 ILE A 87 -8.721 -4.478 3.404 1.00 1.21 H new ATOM 0 HG22 ILE A 87 -8.672 -2.918 4.258 1.00 1.21 H new ATOM 0 HG23 ILE A 87 -9.421 -4.334 5.034 1.00 1.21 H new ATOM 0 HD11 ILE A 87 -11.948 -5.931 1.489 1.00 1.37 H new ATOM 0 HD12 ILE A 87 -11.787 -4.197 1.125 1.00 1.37 H new ATOM 0 HD13 ILE A 87 -10.333 -5.189 1.389 1.00 1.37 H new ATOM 1410 N ARG A 88 -10.550 -2.793 6.669 1.00 1.09 N ATOM 1411 CA ARG A 88 -10.534 -3.186 8.067 1.00 1.19 C ATOM 1412 C ARG A 88 -11.238 -2.114 8.894 1.00 1.25 C ATOM 1413 O ARG A 88 -12.159 -2.423 9.653 1.00 1.63 O ATOM 1414 CB ARG A 88 -9.082 -3.435 8.508 1.00 1.46 C ATOM 1415 CG ARG A 88 -8.942 -3.647 10.024 1.00 1.76 C ATOM 1416 CD ARG A 88 -8.560 -2.356 10.784 1.00 2.64 C ATOM 1417 NE ARG A 88 -9.424 -2.069 11.944 1.00 3.59 N ATOM 1418 CZ ARG A 88 -9.606 -2.862 13.008 1.00 4.09 C ATOM 1419 NH1 ARG A 88 -9.097 -4.095 13.029 1.00 4.02 N ATOM 1420 NH2 ARG A 88 -10.307 -2.404 14.044 1.00 5.36 N ATOM 0 H ARG A 88 -9.720 -2.270 6.390 1.00 1.09 H new ATOM 0 HA ARG A 88 -11.077 -4.119 8.221 1.00 1.19 H new ATOM 0 HB2 ARG A 88 -8.695 -4.311 7.987 1.00 1.46 H new ATOM 0 HB3 ARG A 88 -8.466 -2.587 8.207 1.00 1.46 H new ATOM 0 HG2 ARG A 88 -9.883 -4.030 10.420 1.00 1.76 H new ATOM 0 HG3 ARG A 88 -8.185 -4.409 10.210 1.00 1.76 H new ATOM 0 HD2 ARG A 88 -7.527 -2.438 11.124 1.00 2.64 H new ATOM 0 HD3 ARG A 88 -8.603 -1.513 10.094 1.00 2.64 H new ATOM 0 HE ARG A 88 -9.930 -1.184 11.935 1.00 3.59 H new ATOM 0 HH11 ARG A 88 -8.564 -4.441 12.231 1.00 4.02 H new ATOM 0 HH12 ARG A 88 -9.240 -4.692 13.843 1.00 4.02 H new ATOM 0 HH21 ARG A 88 -10.696 -1.462 14.020 1.00 5.36 H new ATOM 0 HH22 ARG A 88 -10.454 -2.996 14.862 1.00 5.36 H new ATOM 1434 N LYS A 89 -10.803 -0.858 8.763 1.00 1.08 N ATOM 1435 CA LYS A 89 -11.188 0.251 9.591 1.00 1.12 C ATOM 1436 C LYS A 89 -12.570 0.814 9.228 1.00 1.53 C ATOM 1437 O LYS A 89 -12.730 2.023 9.025 1.00 2.14 O ATOM 1438 CB LYS A 89 -10.087 1.285 9.414 1.00 1.00 C ATOM 1439 CG LYS A 89 -10.109 2.324 10.519 1.00 1.27 C ATOM 1440 CD LYS A 89 -9.430 3.560 9.935 1.00 1.26 C ATOM 1441 CE LYS A 89 -10.429 4.714 9.769 1.00 2.15 C ATOM 1442 NZ LYS A 89 -11.427 4.393 8.725 1.00 3.72 N ATOM 0 H LYS A 89 -10.140 -0.590 8.035 1.00 1.08 H new ATOM 0 HA LYS A 89 -11.291 -0.056 10.632 1.00 1.12 H new ATOM 0 HB2 LYS A 89 -9.118 0.786 9.403 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -10.203 1.778 8.449 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -11.131 2.547 10.827 1.00 1.27 H new ATOM 0 HG3 LYS A 89 -9.580 1.967 11.403 1.00 1.27 H new ATOM 0 HD2 LYS A 89 -8.614 3.872 10.587 1.00 1.26 H new ATOM 0 HD3 LYS A 89 -8.990 3.314 8.969 1.00 1.26 H new ATOM 0 HE2 LYS A 89 -10.934 4.904 10.716 1.00 2.15 H new ATOM 0 HE3 LYS A 89 -9.897 5.627 9.503 1.00 2.15 H new ATOM 0 HZ1 LYS A 89 -12.326 4.867 8.947 1.00 3.72 H new ATOM 0 HZ2 LYS A 89 -11.081 4.722 7.801 1.00 3.72 H new ATOM 0 HZ3 LYS A 89 -11.576 3.364 8.692 1.00 3.72 H new ATOM 1710 N LEU B 6 -16.108 -7.382 -3.341 1.00 1.64 N ATOM 1711 CA LEU B 6 -15.261 -6.305 -3.856 1.00 1.47 C ATOM 1712 C LEU B 6 -15.230 -6.255 -5.397 1.00 1.53 C ATOM 1713 O LEU B 6 -15.757 -7.157 -6.046 1.00 1.87 O ATOM 1714 CB LEU B 6 -13.842 -6.531 -3.303 1.00 1.81 C ATOM 1715 CG LEU B 6 -13.762 -6.698 -1.773 1.00 1.69 C ATOM 1716 CD1 LEU B 6 -12.343 -7.092 -1.364 1.00 2.26 C ATOM 1717 CD2 LEU B 6 -14.187 -5.451 -0.981 1.00 2.34 C ATOM 0 HA LEU B 6 -15.670 -5.348 -3.532 1.00 1.47 H new ATOM 0 HB2 LEU B 6 -13.421 -7.420 -3.774 1.00 1.81 H new ATOM 0 HB3 LEU B 6 -13.215 -5.689 -3.595 1.00 1.81 H new ATOM 0 HG LEU B 6 -14.475 -7.484 -1.524 1.00 1.69 H new ATOM 0 HD11 LEU B 6 -12.295 -7.208 -0.281 1.00 2.26 H new ATOM 0 HD12 LEU B 6 -12.075 -8.034 -1.842 1.00 2.26 H new ATOM 0 HD13 LEU B 6 -11.645 -6.315 -1.677 1.00 2.26 H new ATOM 0 HD21 LEU B 6 -14.102 -5.652 0.087 1.00 2.34 H new ATOM 0 HD22 LEU B 6 -13.541 -4.614 -1.246 1.00 2.34 H new ATOM 0 HD23 LEU B 6 -15.220 -5.202 -1.222 1.00 2.34 H new ATOM 1729 N THR B 7 -14.615 -5.211 -5.976 1.00 1.45 N ATOM 1730 CA THR B 7 -14.329 -5.090 -7.417 1.00 1.46 C ATOM 1731 C THR B 7 -12.953 -5.702 -7.748 1.00 1.39 C ATOM 1732 O THR B 7 -12.652 -6.793 -7.276 1.00 1.80 O ATOM 1733 CB THR B 7 -14.522 -3.630 -7.896 1.00 1.55 C ATOM 1734 OG1 THR B 7 -14.278 -3.520 -9.285 1.00 1.66 O ATOM 1735 CG2 THR B 7 -13.667 -2.565 -7.196 1.00 1.54 C ATOM 0 H THR B 7 -14.294 -4.405 -5.440 1.00 1.45 H new ATOM 0 HA THR B 7 -15.051 -5.674 -7.988 1.00 1.46 H new ATOM 0 HB THR B 7 -15.559 -3.422 -7.633 1.00 1.55 H new ATOM 0 HG1 THR B 7 -14.407 -2.590 -9.567 1.00 1.66 H new ATOM 0 HG21 THR B 7 -13.891 -1.585 -7.617 1.00 1.54 H new ATOM 0 HG22 THR B 7 -13.891 -2.562 -6.129 1.00 1.54 H new ATOM 0 HG23 THR B 7 -12.611 -2.791 -7.344 1.00 1.54 H new ATOM 1743 N GLU B 8 -12.095 -5.001 -8.505 1.00 1.35 N ATOM 1744 CA GLU B 8 -10.726 -5.412 -8.828 1.00 1.17 C ATOM 1745 C GLU B 8 -9.660 -4.873 -7.849 1.00 0.96 C ATOM 1746 O GLU B 8 -8.909 -5.647 -7.252 1.00 1.00 O ATOM 1747 CB GLU B 8 -10.429 -4.995 -10.271 1.00 1.31 C ATOM 1748 CG GLU B 8 -9.130 -5.629 -10.777 1.00 1.33 C ATOM 1749 CD GLU B 8 -8.894 -5.249 -12.233 1.00 1.63 C ATOM 1750 OE1 GLU B 8 -8.742 -4.032 -12.474 1.00 2.07 O ATOM 1751 OE2 GLU B 8 -8.902 -6.171 -13.076 1.00 2.11 O ATOM 0 H GLU B 8 -12.346 -4.104 -8.921 1.00 1.35 H new ATOM 0 HA GLU B 8 -10.666 -6.495 -8.722 1.00 1.17 H new ATOM 0 HB2 GLU B 8 -11.256 -5.292 -10.915 1.00 1.31 H new ATOM 0 HB3 GLU B 8 -10.353 -3.909 -10.330 1.00 1.31 H new ATOM 0 HG2 GLU B 8 -8.291 -5.296 -10.166 1.00 1.33 H new ATOM 0 HG3 GLU B 8 -9.184 -6.713 -10.680 1.00 1.33 H new ATOM 1758 N LEU B 9 -9.539 -3.545 -7.700 1.00 0.84 N ATOM 1759 CA LEU B 9 -8.472 -2.928 -6.898 1.00 0.82 C ATOM 1760 C LEU B 9 -8.576 -3.328 -5.424 1.00 0.81 C ATOM 1761 O LEU B 9 -7.622 -3.790 -4.809 1.00 0.80 O ATOM 1762 CB LEU B 9 -8.494 -1.399 -7.064 1.00 0.83 C ATOM 1763 CG LEU B 9 -7.599 -0.978 -8.243 1.00 0.86 C ATOM 1764 CD1 LEU B 9 -7.979 0.403 -8.780 1.00 1.06 C ATOM 1765 CD2 LEU B 9 -6.129 -0.923 -7.803 1.00 1.03 C ATOM 0 H LEU B 9 -10.174 -2.872 -8.129 1.00 0.84 H new ATOM 0 HA LEU B 9 -7.515 -3.299 -7.265 1.00 0.82 H new ATOM 0 HB2 LEU B 9 -9.516 -1.059 -7.234 1.00 0.83 H new ATOM 0 HB3 LEU B 9 -8.148 -0.922 -6.147 1.00 0.83 H new ATOM 0 HG LEU B 9 -7.741 -1.721 -9.027 1.00 0.86 H new ATOM 0 HD11 LEU B 9 -7.324 0.663 -9.611 1.00 1.06 H new ATOM 0 HD12 LEU B 9 -9.013 0.388 -9.124 1.00 1.06 H new ATOM 0 HD13 LEU B 9 -7.871 1.144 -7.988 1.00 1.06 H new ATOM 0 HD21 LEU B 9 -5.508 -0.624 -8.647 1.00 1.03 H new ATOM 0 HD22 LEU B 9 -6.018 -0.199 -6.996 1.00 1.03 H new ATOM 0 HD23 LEU B 9 -5.817 -1.907 -7.453 1.00 1.03 H new ATOM 1777 N GLU B 10 -9.766 -3.174 -4.871 1.00 0.88 N ATOM 1778 CA GLU B 10 -10.361 -4.140 -3.969 1.00 0.96 C ATOM 1779 C GLU B 10 -11.063 -5.051 -4.965 1.00 2.49 C ATOM 1780 O GLU B 10 -11.872 -4.480 -5.679 1.00 4.82 O ATOM 1781 CB GLU B 10 -11.362 -3.383 -3.071 1.00 1.13 C ATOM 1782 CG GLU B 10 -12.178 -2.243 -3.736 1.00 1.92 C ATOM 1783 CD GLU B 10 -13.690 -2.378 -3.594 1.00 2.30 C ATOM 1784 OE1 GLU B 10 -14.187 -3.474 -3.920 1.00 2.88 O ATOM 1785 OE2 GLU B 10 -14.336 -1.358 -3.273 1.00 3.23 O ATOM 0 H GLU B 10 -10.355 -2.359 -5.040 1.00 0.88 H new ATOM 0 HA GLU B 10 -9.688 -4.677 -3.300 1.00 0.96 H new ATOM 0 HB2 GLU B 10 -12.065 -4.108 -2.660 1.00 1.13 H new ATOM 0 HB3 GLU B 10 -10.812 -2.961 -2.230 1.00 1.13 H new ATOM 0 HG2 GLU B 10 -11.869 -1.292 -3.302 1.00 1.92 H new ATOM 0 HG3 GLU B 10 -11.928 -2.206 -4.796 1.00 1.92 H new ATOM 1792 N GLU B 11 -10.769 -6.341 -5.191 1.00 1.65 N ATOM 1793 CA GLU B 11 -10.057 -7.365 -4.427 1.00 1.24 C ATOM 1794 C GLU B 11 -8.635 -7.071 -3.951 1.00 1.27 C ATOM 1795 O GLU B 11 -8.324 -7.390 -2.806 1.00 1.65 O ATOM 1796 CB GLU B 11 -9.957 -8.671 -5.235 1.00 0.85 C ATOM 1797 CG GLU B 11 -11.232 -9.130 -5.948 1.00 1.65 C ATOM 1798 CD GLU B 11 -11.257 -10.646 -6.110 1.00 2.61 C ATOM 1799 OE1 GLU B 11 -10.205 -11.185 -6.519 1.00 3.20 O ATOM 1800 OE2 GLU B 11 -12.313 -11.239 -5.803 1.00 3.68 O ATOM 0 H GLU B 11 -11.085 -6.752 -6.070 1.00 1.65 H new ATOM 0 HA GLU B 11 -10.676 -7.418 -3.531 1.00 1.24 H new ATOM 0 HB2 GLU B 11 -9.172 -8.551 -5.982 1.00 0.85 H new ATOM 0 HB3 GLU B 11 -9.637 -9.466 -4.561 1.00 0.85 H new ATOM 0 HG2 GLU B 11 -12.105 -8.808 -5.381 1.00 1.65 H new ATOM 0 HG3 GLU B 11 -11.295 -8.656 -6.927 1.00 1.65 H new ATOM 1807 N SER B 12 -7.734 -6.627 -4.834 1.00 0.94 N ATOM 1808 CA SER B 12 -6.296 -6.825 -4.623 1.00 0.82 C ATOM 1809 C SER B 12 -5.809 -6.354 -3.243 1.00 0.84 C ATOM 1810 O SER B 12 -5.024 -7.049 -2.594 1.00 1.07 O ATOM 1811 CB SER B 12 -5.456 -6.294 -5.793 1.00 0.78 C ATOM 1812 OG SER B 12 -5.377 -4.888 -5.799 1.00 1.45 O ATOM 0 H SER B 12 -7.972 -6.133 -5.694 1.00 0.94 H new ATOM 0 HA SER B 12 -6.137 -7.903 -4.612 1.00 0.82 H new ATOM 0 HB2 SER B 12 -4.451 -6.712 -5.735 1.00 0.78 H new ATOM 0 HB3 SER B 12 -5.889 -6.635 -6.733 1.00 0.78 H new ATOM 0 HG SER B 12 -6.271 -4.510 -5.668 1.00 1.45 H new ATOM 1818 N ILE B 13 -6.314 -5.216 -2.750 1.00 0.75 N ATOM 1819 CA ILE B 13 -5.999 -4.771 -1.398 1.00 0.83 C ATOM 1820 C ILE B 13 -6.373 -5.800 -0.333 1.00 0.91 C ATOM 1821 O ILE B 13 -5.572 -6.056 0.562 1.00 0.97 O ATOM 1822 CB ILE B 13 -6.502 -3.352 -1.087 1.00 0.87 C ATOM 1823 CG1 ILE B 13 -7.990 -3.068 -1.348 1.00 0.86 C ATOM 1824 CG2 ILE B 13 -5.629 -2.386 -1.908 1.00 0.85 C ATOM 1825 CD1 ILE B 13 -8.960 -3.648 -0.314 1.00 1.03 C ATOM 0 H ILE B 13 -6.937 -4.595 -3.267 1.00 0.75 H new ATOM 0 HA ILE B 13 -4.912 -4.694 -1.360 1.00 0.83 H new ATOM 0 HB ILE B 13 -6.414 -3.220 -0.009 1.00 0.87 H new ATOM 0 HG12 ILE B 13 -8.134 -1.988 -1.391 1.00 0.86 H new ATOM 0 HG13 ILE B 13 -8.252 -3.464 -2.329 1.00 0.86 H new ATOM 0 HG21 ILE B 13 -5.947 -1.360 -1.722 1.00 0.85 H new ATOM 0 HG22 ILE B 13 -4.585 -2.501 -1.615 1.00 0.85 H new ATOM 0 HG23 ILE B 13 -5.735 -2.612 -2.969 1.00 0.85 H new ATOM 0 HD11 ILE B 13 -9.983 -3.391 -0.590 1.00 1.03 H new ATOM 0 HD12 ILE B 13 -8.854 -4.732 -0.284 1.00 1.03 H new ATOM 0 HD13 ILE B 13 -8.735 -3.234 0.669 1.00 1.03 H new ATOM 1837 N GLU B 14 -7.542 -6.434 -0.441 1.00 0.97 N ATOM 1838 CA GLU B 14 -7.904 -7.520 0.452 1.00 1.06 C ATOM 1839 C GLU B 14 -6.865 -8.629 0.287 1.00 1.11 C ATOM 1840 O GLU B 14 -6.264 -9.066 1.260 1.00 1.10 O ATOM 1841 CB GLU B 14 -9.332 -8.016 0.187 1.00 1.22 C ATOM 1842 CG GLU B 14 -10.016 -8.471 1.488 1.00 1.48 C ATOM 1843 CD GLU B 14 -9.217 -9.519 2.253 1.00 1.67 C ATOM 1844 OE1 GLU B 14 -8.978 -10.591 1.661 1.00 2.32 O ATOM 1845 OE2 GLU B 14 -8.849 -9.220 3.411 1.00 2.42 O ATOM 0 H GLU B 14 -8.250 -6.209 -1.140 1.00 0.97 H new ATOM 0 HA GLU B 14 -7.902 -7.173 1.485 1.00 1.06 H new ATOM 0 HB2 GLU B 14 -9.916 -7.220 -0.274 1.00 1.22 H new ATOM 0 HB3 GLU B 14 -9.306 -8.844 -0.522 1.00 1.22 H new ATOM 0 HG2 GLU B 14 -10.174 -7.604 2.130 1.00 1.48 H new ATOM 0 HG3 GLU B 14 -11.000 -8.876 1.251 1.00 1.48 H new ATOM 1852 N THR B 15 -6.596 -9.016 -0.961 1.00 1.23 N ATOM 1853 CA THR B 15 -5.652 -10.084 -1.290 1.00 1.35 C ATOM 1854 C THR B 15 -4.288 -9.916 -0.589 1.00 1.28 C ATOM 1855 O THR B 15 -3.718 -10.901 -0.125 1.00 1.42 O ATOM 1856 CB THR B 15 -5.590 -10.294 -2.820 1.00 1.60 C ATOM 1857 OG1 THR B 15 -6.066 -11.585 -3.145 1.00 2.56 O ATOM 1858 CG2 THR B 15 -4.211 -10.117 -3.465 1.00 1.00 C ATOM 0 H THR B 15 -7.032 -8.592 -1.780 1.00 1.23 H new ATOM 0 HA THR B 15 -6.024 -11.021 -0.876 1.00 1.35 H new ATOM 0 HB THR B 15 -6.217 -9.501 -3.227 1.00 1.60 H new ATOM 0 HG1 THR B 15 -6.027 -11.713 -4.116 1.00 2.56 H new ATOM 0 HG21 THR B 15 -4.287 -10.288 -4.539 1.00 1.00 H new ATOM 0 HG22 THR B 15 -3.852 -9.104 -3.283 1.00 1.00 H new ATOM 0 HG23 THR B 15 -3.512 -10.833 -3.032 1.00 1.00 H new ATOM 1866 N VAL B 16 -3.765 -8.690 -0.462 1.00 1.12 N ATOM 1867 CA VAL B 16 -2.566 -8.456 0.354 1.00 1.05 C ATOM 1868 C VAL B 16 -2.899 -8.368 1.850 1.00 1.06 C ATOM 1869 O VAL B 16 -2.147 -8.885 2.677 1.00 1.14 O ATOM 1870 CB VAL B 16 -1.719 -7.262 -0.130 1.00 0.89 C ATOM 1871 CG1 VAL B 16 -1.181 -7.492 -1.547 1.00 0.91 C ATOM 1872 CG2 VAL B 16 -2.455 -5.923 -0.098 1.00 0.84 C ATOM 0 H VAL B 16 -4.146 -7.855 -0.907 1.00 1.12 H new ATOM 0 HA VAL B 16 -1.935 -9.334 0.217 1.00 1.05 H new ATOM 0 HB VAL B 16 -0.897 -7.204 0.583 1.00 0.89 H new ATOM 0 HG11 VAL B 16 -0.589 -6.631 -1.856 1.00 0.91 H new ATOM 0 HG12 VAL B 16 -0.556 -8.385 -1.558 1.00 0.91 H new ATOM 0 HG13 VAL B 16 -2.015 -7.624 -2.236 1.00 0.91 H new ATOM 0 HG21 VAL B 16 -1.791 -5.135 -0.453 1.00 0.84 H new ATOM 0 HG22 VAL B 16 -3.333 -5.975 -0.741 1.00 0.84 H new ATOM 0 HG23 VAL B 16 -2.766 -5.703 0.923 1.00 0.84 H new ATOM 1882 N VAL B 17 -4.003 -7.710 2.222 1.00 1.00 N ATOM 1883 CA VAL B 17 -4.426 -7.560 3.612 1.00 1.00 C ATOM 1884 C VAL B 17 -4.556 -8.920 4.304 1.00 1.07 C ATOM 1885 O VAL B 17 -4.088 -9.066 5.430 1.00 1.12 O ATOM 1886 CB VAL B 17 -5.702 -6.707 3.708 1.00 1.00 C ATOM 1887 CG1 VAL B 17 -6.450 -6.848 5.041 1.00 1.12 C ATOM 1888 CG2 VAL B 17 -5.350 -5.226 3.506 1.00 0.91 C ATOM 0 H VAL B 17 -4.633 -7.263 1.556 1.00 1.00 H new ATOM 0 HA VAL B 17 -3.651 -7.019 4.155 1.00 1.00 H new ATOM 0 HB VAL B 17 -6.365 -7.076 2.926 1.00 1.00 H new ATOM 0 HG11 VAL B 17 -7.337 -6.215 5.029 1.00 1.12 H new ATOM 0 HG12 VAL B 17 -6.747 -7.887 5.183 1.00 1.12 H new ATOM 0 HG13 VAL B 17 -5.797 -6.542 5.859 1.00 1.12 H new ATOM 0 HG21 VAL B 17 -6.256 -4.624 3.575 1.00 0.91 H new ATOM 0 HG22 VAL B 17 -4.646 -4.911 4.276 1.00 0.91 H new ATOM 0 HG23 VAL B 17 -4.898 -5.090 2.524 1.00 0.91 H new ATOM 1898 N THR B 18 -5.152 -9.924 3.660 1.00 1.11 N ATOM 1899 CA THR B 18 -5.252 -11.261 4.230 1.00 1.21 C ATOM 1900 C THR B 18 -3.855 -11.808 4.563 1.00 1.19 C ATOM 1901 O THR B 18 -3.626 -12.261 5.689 1.00 1.30 O ATOM 1902 CB THR B 18 -6.113 -12.183 3.342 1.00 1.25 C ATOM 1903 OG1 THR B 18 -6.222 -13.465 3.931 1.00 1.32 O ATOM 1904 CG2 THR B 18 -5.601 -12.342 1.909 1.00 1.25 C ATOM 0 H THR B 18 -5.575 -9.831 2.736 1.00 1.11 H new ATOM 0 HA THR B 18 -5.784 -11.216 5.180 1.00 1.21 H new ATOM 0 HB THR B 18 -7.084 -11.692 3.276 1.00 1.25 H new ATOM 0 HG1 THR B 18 -6.772 -14.042 3.360 1.00 1.32 H new ATOM 0 HG21 THR B 18 -6.266 -13.006 1.357 1.00 1.25 H new ATOM 0 HG22 THR B 18 -5.575 -11.367 1.422 1.00 1.25 H new ATOM 0 HG23 THR B 18 -4.597 -12.766 1.926 1.00 1.25 H new ATOM 1912 N THR B 19 -2.905 -11.730 3.621 1.00 1.11 N ATOM 1913 CA THR B 19 -1.535 -12.157 3.851 1.00 1.14 C ATOM 1914 C THR B 19 -0.947 -11.390 5.033 1.00 1.16 C ATOM 1915 O THR B 19 -0.474 -12.004 5.984 1.00 1.28 O ATOM 1916 CB THR B 19 -0.719 -12.004 2.560 1.00 1.12 C ATOM 1917 OG1 THR B 19 -1.424 -12.700 1.555 1.00 1.21 O ATOM 1918 CG2 THR B 19 0.689 -12.590 2.710 1.00 1.19 C ATOM 0 H THR B 19 -3.073 -11.368 2.682 1.00 1.11 H new ATOM 0 HA THR B 19 -1.504 -13.214 4.117 1.00 1.14 H new ATOM 0 HB THR B 19 -0.597 -10.949 2.315 1.00 1.12 H new ATOM 0 HG1 THR B 19 -0.875 -12.748 0.744 1.00 1.21 H new ATOM 0 HG21 THR B 19 1.237 -12.463 1.776 1.00 1.19 H new ATOM 0 HG22 THR B 19 1.215 -12.073 3.512 1.00 1.19 H new ATOM 0 HG23 THR B 19 0.618 -13.651 2.948 1.00 1.19 H new ATOM 1926 N PHE B 20 -1.024 -10.056 4.999 1.00 1.08 N ATOM 1927 CA PHE B 20 -0.625 -9.178 6.096 1.00 1.15 C ATOM 1928 C PHE B 20 -1.178 -9.671 7.435 1.00 1.19 C ATOM 1929 O PHE B 20 -0.426 -9.819 8.394 1.00 1.27 O ATOM 1930 CB PHE B 20 -1.065 -7.737 5.791 1.00 1.25 C ATOM 1931 CG PHE B 20 -1.430 -6.881 6.994 1.00 1.99 C ATOM 1932 CD1 PHE B 20 -0.441 -6.507 7.919 1.00 2.62 C ATOM 1933 CD2 PHE B 20 -2.777 -6.555 7.253 1.00 3.52 C ATOM 1934 CE1 PHE B 20 -0.788 -5.773 9.067 1.00 3.64 C ATOM 1935 CE2 PHE B 20 -3.128 -5.860 8.423 1.00 4.41 C ATOM 1936 CZ PHE B 20 -2.134 -5.469 9.333 1.00 4.18 C ATOM 0 H PHE B 20 -1.374 -9.548 4.187 1.00 1.08 H new ATOM 0 HA PHE B 20 0.461 -9.195 6.184 1.00 1.15 H new ATOM 0 HB2 PHE B 20 -0.261 -7.240 5.248 1.00 1.25 H new ATOM 0 HB3 PHE B 20 -1.925 -7.775 5.123 1.00 1.25 H new ATOM 0 HD1 PHE B 20 0.589 -6.784 7.748 1.00 2.62 H new ATOM 0 HD2 PHE B 20 -3.544 -6.841 6.548 1.00 3.52 H new ATOM 0 HE1 PHE B 20 -0.017 -5.442 9.747 1.00 3.64 H new ATOM 0 HE2 PHE B 20 -4.164 -5.627 8.622 1.00 4.41 H new ATOM 0 HZ PHE B 20 -2.402 -4.937 10.234 1.00 4.18 H new ATOM 1946 N PHE B 21 -2.482 -9.924 7.508 1.00 1.18 N ATOM 1947 CA PHE B 21 -3.145 -10.267 8.753 1.00 1.26 C ATOM 1948 C PHE B 21 -2.641 -11.620 9.252 1.00 1.31 C ATOM 1949 O PHE B 21 -2.194 -11.751 10.392 1.00 1.29 O ATOM 1950 CB PHE B 21 -4.671 -10.249 8.561 1.00 1.38 C ATOM 1951 CG PHE B 21 -5.439 -9.993 9.844 1.00 1.60 C ATOM 1952 CD1 PHE B 21 -5.501 -10.980 10.846 1.00 1.72 C ATOM 1953 CD2 PHE B 21 -5.976 -8.715 10.091 1.00 3.18 C ATOM 1954 CE1 PHE B 21 -6.062 -10.677 12.099 1.00 2.14 C ATOM 1955 CE2 PHE B 21 -6.544 -8.416 11.340 1.00 3.67 C ATOM 1956 CZ PHE B 21 -6.573 -9.392 12.351 1.00 2.75 C ATOM 0 H PHE B 21 -3.106 -9.896 6.701 1.00 1.18 H new ATOM 0 HA PHE B 21 -2.906 -9.526 9.515 1.00 1.26 H new ATOM 0 HB2 PHE B 21 -4.929 -9.480 7.833 1.00 1.38 H new ATOM 0 HB3 PHE B 21 -4.988 -11.204 8.142 1.00 1.38 H new ATOM 0 HD1 PHE B 21 -5.117 -11.971 10.652 1.00 1.72 H new ATOM 0 HD2 PHE B 21 -5.951 -7.962 9.317 1.00 3.18 H new ATOM 0 HE1 PHE B 21 -6.100 -11.433 12.869 1.00 2.14 H new ATOM 0 HE2 PHE B 21 -6.959 -7.436 11.524 1.00 3.67 H new ATOM 0 HZ PHE B 21 -6.987 -9.155 13.320 1.00 2.75 H new ATOM 1966 N THR B 22 -2.716 -12.645 8.396 1.00 1.45 N ATOM 1967 CA THR B 22 -2.340 -13.994 8.798 1.00 1.61 C ATOM 1968 C THR B 22 -0.844 -14.054 9.132 1.00 1.48 C ATOM 1969 O THR B 22 -0.438 -14.784 10.030 1.00 1.48 O ATOM 1970 CB THR B 22 -2.813 -15.026 7.759 1.00 1.95 C ATOM 1971 OG1 THR B 22 -3.001 -16.291 8.366 1.00 3.33 O ATOM 1972 CG2 THR B 22 -1.868 -15.184 6.568 1.00 1.52 C ATOM 0 H THR B 22 -3.032 -12.562 7.430 1.00 1.45 H new ATOM 0 HA THR B 22 -2.855 -14.266 9.719 1.00 1.61 H new ATOM 0 HB THR B 22 -3.756 -14.638 7.373 1.00 1.95 H new ATOM 0 HG1 THR B 22 -3.303 -16.935 7.692 1.00 3.33 H new ATOM 0 HG21 THR B 22 -2.270 -15.928 5.881 1.00 1.52 H new ATOM 0 HG22 THR B 22 -1.770 -14.229 6.052 1.00 1.52 H new ATOM 0 HG23 THR B 22 -0.889 -15.508 6.921 1.00 1.52 H new ATOM 1980 N PHE B 23 -0.030 -13.252 8.443 1.00 1.45 N ATOM 1981 CA PHE B 23 1.373 -13.030 8.759 1.00 1.43 C ATOM 1982 C PHE B 23 1.511 -12.413 10.157 1.00 1.23 C ATOM 1983 O PHE B 23 2.126 -13.000 11.040 1.00 1.32 O ATOM 1984 CB PHE B 23 1.964 -12.144 7.653 1.00 1.73 C ATOM 1985 CG PHE B 23 3.285 -11.468 7.925 1.00 2.22 C ATOM 1986 CD1 PHE B 23 4.304 -12.139 8.623 1.00 2.90 C ATOM 1987 CD2 PHE B 23 3.483 -10.145 7.485 1.00 3.88 C ATOM 1988 CE1 PHE B 23 5.488 -11.461 8.938 1.00 4.57 C ATOM 1989 CE2 PHE B 23 4.670 -9.470 7.799 1.00 5.38 C ATOM 1990 CZ PHE B 23 5.661 -10.120 8.548 1.00 5.61 C ATOM 0 H PHE B 23 -0.343 -12.726 7.627 1.00 1.45 H new ATOM 0 HA PHE B 23 1.928 -13.968 8.789 1.00 1.43 H new ATOM 0 HB2 PHE B 23 2.079 -12.756 6.759 1.00 1.73 H new ATOM 0 HB3 PHE B 23 1.234 -11.370 7.418 1.00 1.73 H new ATOM 0 HD1 PHE B 23 4.175 -13.171 8.914 1.00 2.90 H new ATOM 0 HD2 PHE B 23 2.719 -9.650 6.905 1.00 3.88 H new ATOM 0 HE1 PHE B 23 6.271 -11.969 9.482 1.00 4.57 H new ATOM 0 HE2 PHE B 23 4.821 -8.454 7.466 1.00 5.38 H new ATOM 0 HZ PHE B 23 6.560 -9.590 8.826 1.00 5.61 H new ATOM 2000 N ALA B 24 0.906 -11.246 10.379 1.00 1.05 N ATOM 2001 CA ALA B 24 0.930 -10.480 11.608 1.00 0.94 C ATOM 2002 C ALA B 24 0.432 -11.287 12.791 1.00 1.08 C ATOM 2003 O ALA B 24 0.781 -10.955 13.924 1.00 1.10 O ATOM 2004 CB ALA B 24 0.114 -9.195 11.449 1.00 0.94 C ATOM 0 H ALA B 24 0.353 -10.788 9.654 1.00 1.05 H new ATOM 0 HA ALA B 24 1.968 -10.218 11.812 1.00 0.94 H new ATOM 0 HB1 ALA B 24 0.141 -8.629 12.380 1.00 0.94 H new ATOM 0 HB2 ALA B 24 0.538 -8.592 10.646 1.00 0.94 H new ATOM 0 HB3 ALA B 24 -0.919 -9.447 11.207 1.00 0.94 H new ATOM 2010 N ARG B 25 -0.365 -12.327 12.540 1.00 1.20 N ATOM 2011 CA ARG B 25 -0.774 -13.284 13.556 1.00 1.32 C ATOM 2012 C ARG B 25 0.404 -13.987 14.242 1.00 1.36 C ATOM 2013 O ARG B 25 0.176 -14.599 15.280 1.00 1.53 O ATOM 2014 CB ARG B 25 -1.842 -14.259 13.016 1.00 1.53 C ATOM 2015 CG ARG B 25 -1.339 -15.698 12.805 1.00 1.72 C ATOM 2016 CD ARG B 25 -2.344 -16.540 12.010 1.00 2.82 C ATOM 2017 NE ARG B 25 -1.929 -17.954 11.997 1.00 3.21 N ATOM 2018 CZ ARG B 25 -1.674 -18.731 10.928 1.00 3.91 C ATOM 2019 NH1 ARG B 25 -1.818 -18.284 9.675 1.00 4.75 N ATOM 2020 NH2 ARG B 25 -1.274 -19.993 11.126 1.00 4.49 N ATOM 0 H ARG B 25 -0.746 -12.526 11.615 1.00 1.20 H new ATOM 0 HA ARG B 25 -1.248 -12.711 14.353 1.00 1.32 H new ATOM 0 HB2 ARG B 25 -2.683 -14.279 13.710 1.00 1.53 H new ATOM 0 HB3 ARG B 25 -2.220 -13.876 12.068 1.00 1.53 H new ATOM 0 HG2 ARG B 25 -0.385 -15.676 12.278 1.00 1.72 H new ATOM 0 HG3 ARG B 25 -1.158 -16.166 13.773 1.00 1.72 H new ATOM 0 HD2 ARG B 25 -3.336 -16.449 12.453 1.00 2.82 H new ATOM 0 HD3 ARG B 25 -2.415 -16.165 10.989 1.00 2.82 H new ATOM 0 HE ARG B 25 -1.822 -18.398 12.909 1.00 3.21 H new ATOM 0 HH11 ARG B 25 -2.130 -17.327 9.507 1.00 4.75 H new ATOM 0 HH12 ARG B 25 -1.616 -18.900 8.887 1.00 4.75 H new ATOM 0 HH21 ARG B 25 -1.167 -20.351 12.075 1.00 4.49 H new ATOM 0 HH22 ARG B 25 -1.076 -20.596 10.328 1.00 4.49 H new ATOM 2034 N GLN B 26 1.613 -13.977 13.661 1.00 1.27 N ATOM 2035 CA GLN B 26 2.747 -14.756 14.159 1.00 1.25 C ATOM 2036 C GLN B 26 2.977 -14.682 15.679 1.00 1.41 C ATOM 2037 O GLN B 26 2.978 -15.707 16.355 1.00 1.37 O ATOM 2038 CB GLN B 26 4.010 -14.218 13.482 1.00 1.28 C ATOM 2039 CG GLN B 26 5.047 -15.218 13.048 1.00 1.35 C ATOM 2040 CD GLN B 26 4.646 -15.956 11.776 1.00 1.41 C ATOM 2041 OE1 GLN B 26 4.803 -15.443 10.673 1.00 2.70 O ATOM 2042 NE2 GLN B 26 4.121 -17.171 11.912 1.00 2.34 N ATOM 0 H GLN B 26 1.828 -13.425 12.830 1.00 1.27 H new ATOM 0 HA GLN B 26 2.524 -15.798 13.930 1.00 1.25 H new ATOM 0 HB2 GLN B 26 3.704 -13.649 12.604 1.00 1.28 H new ATOM 0 HB3 GLN B 26 4.486 -13.516 14.167 1.00 1.28 H new ATOM 0 HG2 GLN B 26 5.995 -14.706 12.884 1.00 1.35 H new ATOM 0 HG3 GLN B 26 5.209 -15.940 13.848 1.00 1.35 H new ATOM 0 HE21 GLN B 26 4.002 -17.574 12.841 1.00 2.34 H new ATOM 0 HE22 GLN B 26 3.838 -17.700 11.087 1.00 2.34 H new ATOM 2051 N GLU B 27 3.266 -13.482 16.193 1.00 1.66 N ATOM 2052 CA GLU B 27 4.057 -13.345 17.415 1.00 1.64 C ATOM 2053 C GLU B 27 3.351 -13.722 18.724 1.00 1.39 C ATOM 2054 O GLU B 27 3.997 -14.298 19.593 1.00 1.22 O ATOM 2055 CB GLU B 27 4.629 -11.931 17.538 1.00 2.39 C ATOM 2056 CG GLU B 27 5.574 -11.519 16.399 1.00 3.03 C ATOM 2057 CD GLU B 27 5.436 -10.029 16.047 1.00 4.30 C ATOM 2058 OE1 GLU B 27 4.294 -9.512 16.153 1.00 5.24 O ATOM 2059 OE2 GLU B 27 6.435 -9.418 15.617 1.00 4.73 O ATOM 0 H GLU B 27 2.965 -12.598 15.783 1.00 1.66 H new ATOM 0 HA GLU B 27 4.849 -14.083 17.292 1.00 1.64 H new ATOM 0 HB2 GLU B 27 3.802 -11.222 17.580 1.00 2.39 H new ATOM 0 HB3 GLU B 27 5.166 -11.852 18.483 1.00 2.39 H new ATOM 0 HG2 GLU B 27 6.604 -11.729 16.688 1.00 3.03 H new ATOM 0 HG3 GLU B 27 5.362 -12.121 15.516 1.00 3.03 H new ATOM 2066 N GLY B 28 2.087 -13.369 18.992 1.00 2.42 N ATOM 2067 CA GLY B 28 1.030 -12.928 18.097 1.00 2.82 C ATOM 2068 C GLY B 28 1.100 -11.458 17.686 1.00 1.55 C ATOM 2069 O GLY B 28 1.628 -11.111 16.628 1.00 1.52 O ATOM 0 H GLY B 28 1.751 -13.391 19.955 1.00 2.42 H new ATOM 0 HA2 GLY B 28 1.057 -13.542 17.197 1.00 2.82 H new ATOM 0 HA3 GLY B 28 0.069 -13.109 18.578 1.00 2.82 H new ATOM 2073 N ARG B 29 0.481 -10.581 18.489 1.00 1.42 N ATOM 2074 CA ARG B 29 0.148 -9.221 18.075 1.00 1.54 C ATOM 2075 C ARG B 29 -0.428 -9.256 16.653 1.00 1.31 C ATOM 2076 O ARG B 29 0.264 -8.911 15.687 1.00 1.20 O ATOM 2077 CB ARG B 29 1.370 -8.296 18.207 1.00 1.89 C ATOM 2078 CG ARG B 29 1.435 -7.564 19.554 1.00 2.61 C ATOM 2079 CD ARG B 29 0.251 -6.598 19.752 1.00 1.95 C ATOM 2080 NE ARG B 29 0.686 -5.372 20.444 1.00 3.11 N ATOM 2081 CZ ARG B 29 0.215 -4.818 21.572 1.00 3.22 C ATOM 2082 NH1 ARG B 29 -0.799 -5.379 22.241 1.00 2.84 N ATOM 2083 NH2 ARG B 29 0.763 -3.692 22.032 1.00 4.59 N ATOM 0 H ARG B 29 0.199 -10.800 19.444 1.00 1.42 H new ATOM 0 HA ARG B 29 -0.615 -8.805 18.732 1.00 1.54 H new ATOM 0 HB2 ARG B 29 2.278 -8.885 18.077 1.00 1.89 H new ATOM 0 HB3 ARG B 29 1.349 -7.561 17.403 1.00 1.89 H new ATOM 0 HG2 ARG B 29 1.444 -8.295 20.362 1.00 2.61 H new ATOM 0 HG3 ARG B 29 2.370 -7.007 19.618 1.00 2.61 H new ATOM 0 HD2 ARG B 29 -0.180 -6.341 18.784 1.00 1.95 H new ATOM 0 HD3 ARG B 29 -0.532 -7.089 20.330 1.00 1.95 H new ATOM 0 HE ARG B 29 1.457 -4.872 20.002 1.00 3.11 H new ATOM 0 HH11 ARG B 29 -1.224 -6.239 21.895 1.00 2.84 H new ATOM 0 HH12 ARG B 29 -1.146 -4.947 23.097 1.00 2.84 H new ATOM 0 HH21 ARG B 29 1.535 -3.257 21.527 1.00 4.59 H new ATOM 0 HH22 ARG B 29 0.410 -3.266 22.889 1.00 4.59 H new ATOM 2097 N LYS B 30 -1.666 -9.749 16.536 1.00 1.42 N ATOM 2098 CA LYS B 30 -2.356 -9.986 15.271 1.00 1.37 C ATOM 2099 C LYS B 30 -2.891 -8.677 14.682 1.00 1.44 C ATOM 2100 O LYS B 30 -4.095 -8.509 14.504 1.00 2.21 O ATOM 2101 CB LYS B 30 -3.431 -11.075 15.436 1.00 1.64 C ATOM 2102 CG LYS B 30 -4.468 -10.789 16.538 1.00 2.09 C ATOM 2103 CD LYS B 30 -4.293 -11.753 17.724 1.00 3.23 C ATOM 2104 CE LYS B 30 -5.319 -11.455 18.829 1.00 4.12 C ATOM 2105 NZ LYS B 30 -5.206 -12.393 19.969 1.00 5.24 N ATOM 0 H LYS B 30 -2.230 -10.001 17.348 1.00 1.42 H new ATOM 0 HA LYS B 30 -1.643 -10.369 14.541 1.00 1.37 H new ATOM 0 HB2 LYS B 30 -3.953 -11.199 14.487 1.00 1.64 H new ATOM 0 HB3 LYS B 30 -2.939 -12.023 15.655 1.00 1.64 H new ATOM 0 HG2 LYS B 30 -4.363 -9.760 16.883 1.00 2.09 H new ATOM 0 HG3 LYS B 30 -5.474 -10.888 16.130 1.00 2.09 H new ATOM 0 HD2 LYS B 30 -4.409 -12.781 17.382 1.00 3.23 H new ATOM 0 HD3 LYS B 30 -3.284 -11.663 18.125 1.00 3.23 H new ATOM 0 HE2 LYS B 30 -5.179 -10.435 19.186 1.00 4.12 H new ATOM 0 HE3 LYS B 30 -6.325 -11.512 18.413 1.00 4.12 H new ATOM 0 HZ1 LYS B 30 -5.918 -12.153 20.688 1.00 5.24 H new ATOM 0 HZ2 LYS B 30 -5.365 -13.365 19.636 1.00 5.24 H new ATOM 0 HZ3 LYS B 30 -4.255 -12.321 20.385 1.00 5.24 H new ATOM 2119 N ASP B 31 -1.957 -7.771 14.399 1.00 1.23 N ATOM 2120 CA ASP B 31 -2.133 -6.520 13.681 1.00 1.32 C ATOM 2121 C ASP B 31 -0.738 -5.993 13.374 1.00 1.22 C ATOM 2122 O ASP B 31 -0.358 -5.835 12.219 1.00 1.48 O ATOM 2123 CB ASP B 31 -2.904 -5.483 14.509 1.00 1.68 C ATOM 2124 CG ASP B 31 -2.851 -4.133 13.803 1.00 3.20 C ATOM 2125 OD1 ASP B 31 -3.578 -3.994 12.798 1.00 4.39 O ATOM 2126 OD2 ASP B 31 -2.065 -3.270 14.256 1.00 4.11 O ATOM 0 H ASP B 31 -0.988 -7.907 14.689 1.00 1.23 H new ATOM 0 HA ASP B 31 -2.715 -6.695 12.776 1.00 1.32 H new ATOM 0 HB2 ASP B 31 -3.939 -5.799 14.636 1.00 1.68 H new ATOM 0 HB3 ASP B 31 -2.471 -5.402 15.506 1.00 1.68 H new ATOM 2131 N SER B 32 0.038 -5.758 14.433 1.00 1.20 N ATOM 2132 CA SER B 32 1.338 -5.142 14.333 1.00 1.19 C ATOM 2133 C SER B 32 2.413 -6.174 13.992 1.00 1.06 C ATOM 2134 O SER B 32 2.316 -7.358 14.360 1.00 1.09 O ATOM 2135 CB SER B 32 1.636 -4.394 15.635 1.00 1.51 C ATOM 2136 OG SER B 32 1.225 -5.157 16.752 1.00 1.81 O ATOM 0 H SER B 32 -0.231 -5.996 15.387 1.00 1.20 H new ATOM 0 HA SER B 32 1.342 -4.422 13.515 1.00 1.19 H new ATOM 0 HB2 SER B 32 2.703 -4.184 15.704 1.00 1.51 H new ATOM 0 HB3 SER B 32 1.121 -3.433 15.635 1.00 1.51 H new ATOM 0 HG SER B 32 1.709 -4.856 17.550 1.00 1.81 H new ATOM 2142 N LEU B 33 3.437 -5.702 13.279 1.00 1.06 N ATOM 2143 CA LEU B 33 4.624 -6.471 12.938 1.00 1.02 C ATOM 2144 C LEU B 33 5.784 -5.950 13.789 1.00 1.07 C ATOM 2145 O LEU B 33 6.016 -4.741 13.789 1.00 1.41 O ATOM 2146 CB LEU B 33 4.942 -6.338 11.434 1.00 0.98 C ATOM 2147 CG LEU B 33 3.914 -6.856 10.404 1.00 1.17 C ATOM 2148 CD1 LEU B 33 3.503 -8.298 10.649 1.00 1.72 C ATOM 2149 CD2 LEU B 33 2.602 -6.077 10.317 1.00 2.27 C ATOM 0 H LEU B 33 3.459 -4.749 12.916 1.00 1.06 H new ATOM 0 HA LEU B 33 4.460 -7.529 13.142 1.00 1.02 H new ATOM 0 HB2 LEU B 33 5.113 -5.282 11.226 1.00 0.98 H new ATOM 0 HB3 LEU B 33 5.883 -6.856 11.249 1.00 0.98 H new ATOM 0 HG LEU B 33 4.472 -6.731 9.476 1.00 1.17 H new ATOM 0 HD11 LEU B 33 2.780 -8.604 9.893 1.00 1.72 H new ATOM 0 HD12 LEU B 33 4.381 -8.941 10.592 1.00 1.72 H new ATOM 0 HD13 LEU B 33 3.053 -8.385 11.638 1.00 1.72 H new ATOM 0 HD21 LEU B 33 1.959 -6.530 9.563 1.00 2.27 H new ATOM 0 HD22 LEU B 33 2.100 -6.101 11.284 1.00 2.27 H new ATOM 0 HD23 LEU B 33 2.810 -5.043 10.042 1.00 2.27 H new ATOM 2161 N SER B 34 6.522 -6.817 14.493 1.00 1.16 N ATOM 2162 CA SER B 34 7.804 -6.455 15.089 1.00 1.28 C ATOM 2163 C SER B 34 8.914 -7.253 14.398 1.00 0.98 C ATOM 2164 O SER B 34 8.656 -8.102 13.537 1.00 1.15 O ATOM 2165 CB SER B 34 7.759 -6.682 16.606 1.00 1.95 C ATOM 2166 OG SER B 34 6.741 -5.884 17.177 1.00 2.92 O ATOM 0 H SER B 34 6.245 -7.784 14.662 1.00 1.16 H new ATOM 0 HA SER B 34 8.015 -5.396 14.940 1.00 1.28 H new ATOM 0 HB2 SER B 34 7.573 -7.734 16.821 1.00 1.95 H new ATOM 0 HB3 SER B 34 8.723 -6.432 17.050 1.00 1.95 H new ATOM 0 HG SER B 34 7.028 -4.947 17.189 1.00 2.92 H new ATOM 2172 N VAL B 35 10.178 -6.979 14.732 1.00 1.09 N ATOM 2173 CA VAL B 35 11.303 -7.611 14.049 1.00 0.95 C ATOM 2174 C VAL B 35 11.632 -8.972 14.657 1.00 1.19 C ATOM 2175 O VAL B 35 12.786 -9.286 14.926 1.00 2.30 O ATOM 2176 CB VAL B 35 12.490 -6.636 13.963 1.00 1.65 C ATOM 2177 CG1 VAL B 35 13.121 -6.249 15.306 1.00 1.79 C ATOM 2178 CG2 VAL B 35 13.567 -7.069 12.958 1.00 2.66 C ATOM 0 H VAL B 35 10.444 -6.326 15.469 1.00 1.09 H new ATOM 0 HA VAL B 35 11.028 -7.834 13.018 1.00 0.95 H new ATOM 0 HB VAL B 35 12.022 -5.727 13.583 1.00 1.65 H new ATOM 0 HG11 VAL B 35 13.948 -5.560 15.134 1.00 1.79 H new ATOM 0 HG12 VAL B 35 12.372 -5.768 15.935 1.00 1.79 H new ATOM 0 HG13 VAL B 35 13.493 -7.144 15.805 1.00 1.79 H new ATOM 0 HG21 VAL B 35 14.373 -6.335 12.950 1.00 2.66 H new ATOM 0 HG22 VAL B 35 13.965 -8.042 13.247 1.00 2.66 H new ATOM 0 HG23 VAL B 35 13.129 -7.138 11.962 1.00 2.66 H new ATOM 2188 N ASN B 36 10.621 -9.842 14.689 1.00 1.19 N ATOM 2189 CA ASN B 36 10.790 -11.201 14.198 1.00 1.18 C ATOM 2190 C ASN B 36 9.429 -11.713 13.730 1.00 1.09 C ATOM 2191 O ASN B 36 8.938 -12.778 14.098 1.00 1.42 O ATOM 2192 CB ASN B 36 11.476 -12.095 15.220 1.00 1.51 C ATOM 2193 CG ASN B 36 12.125 -13.276 14.493 1.00 1.64 C ATOM 2194 OD1 ASN B 36 13.346 -13.391 14.465 1.00 2.17 O ATOM 2195 ND2 ASN B 36 11.318 -14.101 13.838 1.00 1.69 N ATOM 0 H ASN B 36 9.690 -9.629 15.046 1.00 1.19 H new ATOM 0 HA ASN B 36 11.466 -11.215 13.343 1.00 1.18 H new ATOM 0 HB2 ASN B 36 12.230 -11.530 15.768 1.00 1.51 H new ATOM 0 HB3 ASN B 36 10.752 -12.455 15.951 1.00 1.51 H new ATOM 0 HD21 ASN B 36 11.708 -14.865 13.286 1.00 1.69 H new ATOM 0 HD22 ASN B 36 10.307 -13.972 13.887 1.00 1.69 H new ATOM 2202 N GLU B 37 8.904 -10.906 12.823 1.00 0.97 N ATOM 2203 CA GLU B 37 7.817 -11.121 11.894 1.00 0.86 C ATOM 2204 C GLU B 37 8.318 -10.406 10.652 1.00 0.84 C ATOM 2205 O GLU B 37 8.487 -11.006 9.596 1.00 1.03 O ATOM 2206 CB GLU B 37 6.518 -10.466 12.399 1.00 1.04 C ATOM 2207 CG GLU B 37 5.449 -11.513 12.722 1.00 1.03 C ATOM 2208 CD GLU B 37 4.204 -10.918 13.379 1.00 1.30 C ATOM 2209 OE1 GLU B 37 3.900 -9.726 13.203 1.00 1.94 O ATOM 2210 OE2 GLU B 37 3.484 -11.549 14.183 1.00 1.64 O ATOM 0 H GLU B 37 9.282 -9.965 12.711 1.00 0.97 H new ATOM 0 HA GLU B 37 7.577 -12.173 11.741 1.00 0.86 H new ATOM 0 HB2 GLU B 37 6.730 -9.875 13.290 1.00 1.04 H new ATOM 0 HB3 GLU B 37 6.138 -9.779 11.643 1.00 1.04 H new ATOM 0 HG2 GLU B 37 5.159 -12.022 11.803 1.00 1.03 H new ATOM 0 HG3 GLU B 37 5.876 -12.267 13.383 1.00 1.03 H new ATOM 2217 N PHE B 38 8.609 -9.111 10.816 1.00 0.78 N ATOM 2218 CA PHE B 38 9.047 -8.230 9.746 1.00 0.82 C ATOM 2219 C PHE B 38 10.044 -8.908 8.793 1.00 0.75 C ATOM 2220 O PHE B 38 9.841 -8.936 7.581 1.00 0.86 O ATOM 2221 CB PHE B 38 9.607 -6.934 10.348 1.00 0.87 C ATOM 2222 CG PHE B 38 9.211 -5.734 9.529 1.00 0.89 C ATOM 2223 CD1 PHE B 38 9.814 -5.532 8.278 1.00 1.81 C ATOM 2224 CD2 PHE B 38 8.033 -5.040 9.857 1.00 2.30 C ATOM 2225 CE1 PHE B 38 9.242 -4.645 7.358 1.00 1.82 C ATOM 2226 CE2 PHE B 38 7.448 -4.165 8.928 1.00 2.56 C ATOM 2227 CZ PHE B 38 8.040 -3.987 7.668 1.00 1.44 C ATOM 0 H PHE B 38 8.543 -8.643 11.720 1.00 0.78 H new ATOM 0 HA PHE B 38 8.183 -7.984 9.129 1.00 0.82 H new ATOM 0 HB2 PHE B 38 9.242 -6.817 11.368 1.00 0.87 H new ATOM 0 HB3 PHE B 38 10.694 -6.996 10.404 1.00 0.87 H new ATOM 0 HD1 PHE B 38 10.721 -6.061 8.025 1.00 1.81 H new ATOM 0 HD2 PHE B 38 7.577 -5.180 10.826 1.00 2.30 H new ATOM 0 HE1 PHE B 38 9.725 -4.466 6.409 1.00 1.82 H new ATOM 0 HE2 PHE B 38 6.545 -3.630 9.182 1.00 2.56 H new ATOM 0 HZ PHE B 38 7.572 -3.344 6.937 1.00 1.44 H new ATOM 2237 N LYS B 39 11.114 -9.479 9.353 1.00 0.65 N ATOM 2238 CA LYS B 39 12.171 -10.113 8.575 1.00 0.65 C ATOM 2239 C LYS B 39 11.694 -11.397 7.877 1.00 0.61 C ATOM 2240 O LYS B 39 12.204 -11.760 6.817 1.00 0.61 O ATOM 2241 CB LYS B 39 13.401 -10.327 9.467 1.00 0.70 C ATOM 2242 CG LYS B 39 14.666 -10.658 8.655 1.00 0.71 C ATOM 2243 CD LYS B 39 15.922 -10.492 9.538 1.00 0.96 C ATOM 2244 CE LYS B 39 16.418 -9.039 9.450 1.00 1.91 C ATOM 2245 NZ LYS B 39 17.456 -8.654 10.433 1.00 2.91 N ATOM 0 H LYS B 39 11.268 -9.512 10.361 1.00 0.65 H new ATOM 0 HA LYS B 39 12.459 -9.448 7.761 1.00 0.65 H new ATOM 0 HB2 LYS B 39 13.578 -9.429 10.059 1.00 0.70 H new ATOM 0 HB3 LYS B 39 13.201 -11.137 10.169 1.00 0.70 H new ATOM 0 HG2 LYS B 39 14.609 -11.679 8.279 1.00 0.71 H new ATOM 0 HG3 LYS B 39 14.733 -10.002 7.787 1.00 0.71 H new ATOM 0 HD2 LYS B 39 15.690 -10.747 10.572 1.00 0.96 H new ATOM 0 HD3 LYS B 39 16.705 -11.176 9.209 1.00 0.96 H new ATOM 0 HE2 LYS B 39 16.812 -8.869 8.448 1.00 1.91 H new ATOM 0 HE3 LYS B 39 15.563 -8.375 9.573 1.00 1.91 H new ATOM 0 HZ1 LYS B 39 18.076 -7.930 10.017 1.00 2.91 H new ATOM 0 HZ2 LYS B 39 17.001 -8.271 11.286 1.00 2.91 H new ATOM 0 HZ3 LYS B 39 18.021 -9.490 10.687 1.00 2.91 H new ATOM 2259 N GLU B 40 10.701 -12.085 8.441 1.00 0.67 N ATOM 2260 CA GLU B 40 10.204 -13.328 7.882 1.00 0.64 C ATOM 2261 C GLU B 40 9.517 -13.085 6.538 1.00 0.59 C ATOM 2262 O GLU B 40 9.624 -13.913 5.642 1.00 0.60 O ATOM 2263 CB GLU B 40 9.252 -14.032 8.859 1.00 0.74 C ATOM 2264 CG GLU B 40 9.833 -14.200 10.279 1.00 1.05 C ATOM 2265 CD GLU B 40 11.054 -15.114 10.350 1.00 2.19 C ATOM 2266 OE1 GLU B 40 11.278 -15.859 9.373 1.00 3.10 O ATOM 2267 OE2 GLU B 40 11.734 -15.059 11.400 1.00 3.45 O ATOM 0 H GLU B 40 10.225 -11.792 9.294 1.00 0.67 H new ATOM 0 HA GLU B 40 11.059 -13.983 7.714 1.00 0.64 H new ATOM 0 HB2 GLU B 40 8.324 -13.464 8.921 1.00 0.74 H new ATOM 0 HB3 GLU B 40 8.999 -15.015 8.461 1.00 0.74 H new ATOM 0 HG2 GLU B 40 10.105 -13.218 10.667 1.00 1.05 H new ATOM 0 HG3 GLU B 40 9.057 -14.598 10.933 1.00 1.05 H new ATOM 2274 N LEU B 41 8.819 -11.957 6.363 1.00 0.60 N ATOM 2275 CA LEU B 41 8.073 -11.699 5.131 1.00 0.62 C ATOM 2276 C LEU B 41 9.054 -11.563 3.970 1.00 0.63 C ATOM 2277 O LEU B 41 8.898 -12.194 2.920 1.00 0.66 O ATOM 2278 CB LEU B 41 7.214 -10.434 5.311 1.00 0.70 C ATOM 2279 CG LEU B 41 6.209 -10.092 4.192 1.00 0.73 C ATOM 2280 CD1 LEU B 41 6.862 -9.629 2.890 1.00 2.40 C ATOM 2281 CD2 LEU B 41 5.219 -11.232 3.936 1.00 2.57 C ATOM 0 H LEU B 41 8.757 -11.212 7.057 1.00 0.60 H new ATOM 0 HA LEU B 41 7.402 -12.528 4.907 1.00 0.62 H new ATOM 0 HB2 LEU B 41 6.658 -10.534 6.243 1.00 0.70 H new ATOM 0 HB3 LEU B 41 7.887 -9.585 5.431 1.00 0.70 H new ATOM 0 HG LEU B 41 5.651 -9.236 4.571 1.00 0.73 H new ATOM 0 HD11 LEU B 41 6.089 -9.408 2.154 1.00 2.40 H new ATOM 0 HD12 LEU B 41 7.452 -8.732 3.078 1.00 2.40 H new ATOM 0 HD13 LEU B 41 7.512 -10.417 2.509 1.00 2.40 H new ATOM 0 HD21 LEU B 41 4.532 -10.945 3.140 1.00 2.57 H new ATOM 0 HD22 LEU B 41 5.764 -12.128 3.639 1.00 2.57 H new ATOM 0 HD23 LEU B 41 4.655 -11.436 4.846 1.00 2.57 H new ATOM 2293 N VAL B 42 10.079 -10.735 4.192 1.00 0.63 N ATOM 2294 CA VAL B 42 11.079 -10.404 3.192 1.00 0.64 C ATOM 2295 C VAL B 42 11.831 -11.670 2.796 1.00 0.68 C ATOM 2296 O VAL B 42 12.028 -11.941 1.614 1.00 0.74 O ATOM 2297 CB VAL B 42 12.000 -9.257 3.656 1.00 0.63 C ATOM 2298 CG1 VAL B 42 11.282 -7.908 3.517 1.00 0.66 C ATOM 2299 CG2 VAL B 42 12.558 -9.381 5.067 1.00 0.63 C ATOM 0 H VAL B 42 10.233 -10.272 5.088 1.00 0.63 H new ATOM 0 HA VAL B 42 10.587 -10.019 2.299 1.00 0.64 H new ATOM 0 HB VAL B 42 12.863 -9.324 2.994 1.00 0.63 H new ATOM 0 HG11 VAL B 42 11.944 -7.108 3.848 1.00 0.66 H new ATOM 0 HG12 VAL B 42 11.010 -7.746 2.474 1.00 0.66 H new ATOM 0 HG13 VAL B 42 10.381 -7.911 4.130 1.00 0.66 H new ATOM 0 HG21 VAL B 42 13.190 -8.520 5.285 1.00 0.63 H new ATOM 0 HG22 VAL B 42 11.736 -9.417 5.782 1.00 0.63 H new ATOM 0 HG23 VAL B 42 13.148 -10.294 5.146 1.00 0.63 H new ATOM 2309 N THR B 43 12.193 -12.465 3.801 1.00 0.68 N ATOM 2310 CA THR B 43 12.774 -13.780 3.614 1.00 0.81 C ATOM 2311 C THR B 43 11.848 -14.686 2.785 1.00 0.86 C ATOM 2312 O THR B 43 12.275 -15.271 1.793 1.00 0.97 O ATOM 2313 CB THR B 43 13.054 -14.353 5.009 1.00 0.85 C ATOM 2314 OG1 THR B 43 13.981 -13.516 5.673 1.00 0.84 O ATOM 2315 CG2 THR B 43 13.626 -15.772 4.971 1.00 1.04 C ATOM 0 H THR B 43 12.086 -12.203 4.781 1.00 0.68 H new ATOM 0 HA THR B 43 13.703 -13.717 3.048 1.00 0.81 H new ATOM 0 HB THR B 43 12.099 -14.396 5.533 1.00 0.85 H new ATOM 0 HG1 THR B 43 13.500 -12.807 6.148 1.00 0.84 H new ATOM 0 HG21 THR B 43 13.802 -16.121 5.989 1.00 1.04 H new ATOM 0 HG22 THR B 43 12.917 -16.437 4.477 1.00 1.04 H new ATOM 0 HG23 THR B 43 14.566 -15.771 4.420 1.00 1.04 H new ATOM 2323 N GLN B 44 10.600 -14.857 3.230 1.00 0.84 N ATOM 2324 CA GLN B 44 9.738 -15.943 2.794 1.00 0.91 C ATOM 2325 C GLN B 44 9.073 -15.656 1.443 1.00 1.01 C ATOM 2326 O GLN B 44 9.278 -16.399 0.487 1.00 1.07 O ATOM 2327 CB GLN B 44 8.710 -16.213 3.907 1.00 0.92 C ATOM 2328 CG GLN B 44 7.818 -17.425 3.607 1.00 1.14 C ATOM 2329 CD GLN B 44 6.824 -17.685 4.735 1.00 1.25 C ATOM 2330 OE1 GLN B 44 6.817 -18.754 5.335 1.00 1.97 O ATOM 2331 NE2 GLN B 44 5.960 -16.717 5.028 1.00 1.85 N ATOM 0 H GLN B 44 10.162 -14.236 3.910 1.00 0.84 H new ATOM 0 HA GLN B 44 10.338 -16.838 2.627 1.00 0.91 H new ATOM 0 HB2 GLN B 44 9.234 -16.377 4.848 1.00 0.92 H new ATOM 0 HB3 GLN B 44 8.084 -15.330 4.040 1.00 0.92 H new ATOM 0 HG2 GLN B 44 7.277 -17.257 2.676 1.00 1.14 H new ATOM 0 HG3 GLN B 44 8.440 -18.308 3.459 1.00 1.14 H new ATOM 0 HE21 GLN B 44 5.987 -15.837 4.514 1.00 1.85 H new ATOM 0 HE22 GLN B 44 5.271 -16.855 5.767 1.00 1.85 H new ATOM 2340 N GLN B 45 8.241 -14.613 1.359 1.00 1.06 N ATOM 2341 CA GLN B 45 7.459 -14.337 0.154 1.00 1.10 C ATOM 2342 C GLN B 45 8.274 -13.585 -0.897 1.00 1.04 C ATOM 2343 O GLN B 45 8.058 -13.768 -2.092 1.00 1.13 O ATOM 2344 CB GLN B 45 6.196 -13.526 0.489 1.00 1.26 C ATOM 2345 CG GLN B 45 4.988 -14.400 0.855 1.00 1.62 C ATOM 2346 CD GLN B 45 5.161 -15.169 2.159 1.00 1.94 C ATOM 2347 OE1 GLN B 45 5.798 -14.700 3.097 1.00 2.97 O ATOM 2348 NE2 GLN B 45 4.582 -16.363 2.244 1.00 2.59 N ATOM 0 H GLN B 45 8.093 -13.945 2.115 1.00 1.06 H new ATOM 0 HA GLN B 45 7.172 -15.304 -0.258 1.00 1.10 H new ATOM 0 HB2 GLN B 45 6.414 -12.855 1.320 1.00 1.26 H new ATOM 0 HB3 GLN B 45 5.937 -12.901 -0.366 1.00 1.26 H new ATOM 0 HG2 GLN B 45 4.103 -13.768 0.931 1.00 1.62 H new ATOM 0 HG3 GLN B 45 4.805 -15.109 0.047 1.00 1.62 H new ATOM 0 HE21 GLN B 45 4.057 -16.733 1.451 1.00 2.59 H new ATOM 0 HE22 GLN B 45 4.663 -16.909 3.102 1.00 2.59 H new ATOM 2357 N LEU B 46 9.082 -12.636 -0.427 1.00 0.96 N ATOM 2358 CA LEU B 46 9.538 -11.460 -1.162 1.00 0.86 C ATOM 2359 C LEU B 46 10.764 -11.507 -2.100 1.00 1.04 C ATOM 2360 O LEU B 46 11.073 -10.452 -2.652 1.00 1.58 O ATOM 2361 CB LEU B 46 9.588 -10.261 -0.211 1.00 1.27 C ATOM 2362 CG LEU B 46 8.929 -9.027 -0.841 1.00 1.26 C ATOM 2363 CD1 LEU B 46 7.400 -9.110 -0.742 1.00 2.12 C ATOM 2364 CD2 LEU B 46 9.444 -7.772 -0.140 1.00 1.49 C ATOM 0 H LEU B 46 9.454 -12.669 0.522 1.00 0.96 H new ATOM 0 HA LEU B 46 8.772 -11.381 -1.933 1.00 0.86 H new ATOM 0 HB2 LEU B 46 9.082 -10.511 0.721 1.00 1.27 H new ATOM 0 HB3 LEU B 46 10.624 -10.035 0.040 1.00 1.27 H new ATOM 0 HG LEU B 46 9.189 -8.986 -1.899 1.00 1.26 H new ATOM 0 HD11 LEU B 46 6.957 -8.223 -1.196 1.00 2.12 H new ATOM 0 HD12 LEU B 46 7.049 -9.999 -1.266 1.00 2.12 H new ATOM 0 HD13 LEU B 46 7.106 -9.167 0.306 1.00 2.12 H new ATOM 0 HD21 LEU B 46 8.979 -6.891 -0.583 1.00 1.49 H new ATOM 0 HD22 LEU B 46 9.195 -7.819 0.920 1.00 1.49 H new ATOM 0 HD23 LEU B 46 10.526 -7.709 -0.256 1.00 1.49 H new ATOM 2376 N PRO B 47 11.626 -12.541 -2.107 1.00 1.18 N ATOM 2377 CA PRO B 47 13.047 -12.381 -2.394 1.00 1.23 C ATOM 2378 C PRO B 47 13.410 -11.587 -3.657 1.00 1.26 C ATOM 2379 O PRO B 47 14.342 -10.785 -3.598 1.00 1.70 O ATOM 2380 CB PRO B 47 13.658 -13.788 -2.389 1.00 1.45 C ATOM 2381 CG PRO B 47 12.457 -14.714 -2.546 1.00 1.64 C ATOM 2382 CD PRO B 47 11.333 -13.942 -1.860 1.00 1.90 C ATOM 0 HA PRO B 47 13.471 -11.745 -1.617 1.00 1.23 H new ATOM 0 HB2 PRO B 47 14.370 -13.917 -3.204 1.00 1.45 H new ATOM 0 HB3 PRO B 47 14.196 -13.986 -1.462 1.00 1.45 H new ATOM 0 HG2 PRO B 47 12.232 -14.908 -3.595 1.00 1.64 H new ATOM 0 HG3 PRO B 47 12.629 -15.681 -2.073 1.00 1.64 H new ATOM 0 HD2 PRO B 47 10.360 -14.218 -2.267 1.00 1.90 H new ATOM 0 HD3 PRO B 47 11.304 -14.156 -0.792 1.00 1.90 H new ATOM 2390 N HIS B 48 12.724 -11.758 -4.796 1.00 1.33 N ATOM 2391 CA HIS B 48 13.131 -11.096 -6.033 1.00 1.66 C ATOM 2392 C HIS B 48 12.501 -9.695 -6.094 1.00 1.81 C ATOM 2393 O HIS B 48 11.921 -9.287 -7.100 1.00 3.35 O ATOM 2394 CB HIS B 48 12.812 -12.002 -7.234 1.00 1.77 C ATOM 2395 CG HIS B 48 13.407 -11.532 -8.539 1.00 2.19 C ATOM 2396 ND1 HIS B 48 12.996 -10.431 -9.250 1.00 3.03 N ATOM 2397 CD2 HIS B 48 14.449 -12.098 -9.223 1.00 2.77 C ATOM 2398 CE1 HIS B 48 13.778 -10.327 -10.335 1.00 3.19 C ATOM 2399 NE2 HIS B 48 14.683 -11.321 -10.363 1.00 2.99 N ATOM 0 H HIS B 48 11.894 -12.344 -4.882 1.00 1.33 H new ATOM 0 HA HIS B 48 14.209 -10.938 -6.064 1.00 1.66 H new ATOM 0 HB2 HIS B 48 13.176 -13.008 -7.023 1.00 1.77 H new ATOM 0 HB3 HIS B 48 11.730 -12.071 -7.345 1.00 1.77 H new ATOM 0 HD1 HIS B 48 12.232 -9.804 -8.998 1.00 3.03 H new ATOM 0 HD2 HIS B 48 14.993 -12.985 -8.934 1.00 2.77 H new ATOM 0 HE1 HIS B 48 13.692 -9.552 -11.082 1.00 3.19 H new ATOM 2407 N LEU B 49 12.654 -8.929 -5.008 1.00 0.75 N ATOM 2408 CA LEU B 49 12.048 -7.619 -4.872 1.00 0.71 C ATOM 2409 C LEU B 49 12.897 -6.730 -3.966 1.00 0.81 C ATOM 2410 O LEU B 49 13.728 -5.965 -4.464 1.00 1.03 O ATOM 2411 CB LEU B 49 10.589 -7.787 -4.412 1.00 0.68 C ATOM 2412 CG LEU B 49 9.690 -6.642 -4.882 1.00 0.67 C ATOM 2413 CD1 LEU B 49 9.576 -6.655 -6.411 1.00 0.79 C ATOM 2414 CD2 LEU B 49 8.278 -6.820 -4.321 1.00 0.75 C ATOM 0 H LEU B 49 13.207 -9.211 -4.199 1.00 0.75 H new ATOM 0 HA LEU B 49 12.017 -7.102 -5.831 1.00 0.71 H new ATOM 0 HB2 LEU B 49 10.198 -8.731 -4.792 1.00 0.68 H new ATOM 0 HB3 LEU B 49 10.559 -7.845 -3.324 1.00 0.68 H new ATOM 0 HG LEU B 49 10.129 -5.706 -4.536 1.00 0.67 H new ATOM 0 HD11 LEU B 49 8.934 -5.836 -6.735 1.00 0.79 H new ATOM 0 HD12 LEU B 49 10.566 -6.536 -6.851 1.00 0.79 H new ATOM 0 HD13 LEU B 49 9.147 -7.603 -6.736 1.00 0.79 H new ATOM 0 HD21 LEU B 49 7.645 -6.000 -4.661 1.00 0.75 H new ATOM 0 HD22 LEU B 49 7.864 -7.766 -4.670 1.00 0.75 H new ATOM 0 HD23 LEU B 49 8.317 -6.821 -3.232 1.00 0.75 H new ATOM 2426 N LEU B 50 12.758 -6.841 -2.640 1.00 0.81 N ATOM 2427 CA LEU B 50 13.655 -6.157 -1.718 1.00 0.93 C ATOM 2428 C LEU B 50 14.936 -6.970 -1.598 1.00 0.89 C ATOM 2429 O LEU B 50 15.234 -7.552 -0.557 1.00 1.59 O ATOM 2430 CB LEU B 50 13.002 -5.884 -0.355 1.00 1.20 C ATOM 2431 CG LEU B 50 11.960 -4.754 -0.415 1.00 0.84 C ATOM 2432 CD1 LEU B 50 11.172 -4.718 0.900 1.00 1.25 C ATOM 2433 CD2 LEU B 50 12.606 -3.374 -0.607 1.00 0.93 C ATOM 0 H LEU B 50 12.033 -7.398 -2.188 1.00 0.81 H new ATOM 0 HA LEU B 50 13.893 -5.171 -2.116 1.00 0.93 H new ATOM 0 HB2 LEU B 50 12.524 -6.795 0.004 1.00 1.20 H new ATOM 0 HB3 LEU B 50 13.775 -5.623 0.368 1.00 1.20 H new ATOM 0 HG LEU B 50 11.314 -4.961 -1.268 1.00 0.84 H new ATOM 0 HD11 LEU B 50 10.433 -3.918 0.860 1.00 1.25 H new ATOM 0 HD12 LEU B 50 10.666 -5.672 1.047 1.00 1.25 H new ATOM 0 HD13 LEU B 50 11.856 -4.538 1.729 1.00 1.25 H new ATOM 0 HD21 LEU B 50 11.829 -2.610 -0.643 1.00 0.93 H new ATOM 0 HD22 LEU B 50 13.279 -3.168 0.226 1.00 0.93 H new ATOM 0 HD23 LEU B 50 13.169 -3.363 -1.540 1.00 0.93 H new ATOM 2445 N LYS B 51 15.721 -6.957 -2.676 1.00 1.06 N ATOM 2446 CA LYS B 51 17.147 -7.204 -2.566 1.00 1.20 C ATOM 2447 C LYS B 51 17.704 -6.340 -1.431 1.00 1.35 C ATOM 2448 O LYS B 51 17.306 -5.186 -1.286 1.00 2.13 O ATOM 2449 CB LYS B 51 17.885 -6.971 -3.894 1.00 1.58 C ATOM 2450 CG LYS B 51 18.019 -5.509 -4.367 1.00 2.01 C ATOM 2451 CD LYS B 51 16.660 -4.847 -4.624 1.00 3.31 C ATOM 2452 CE LYS B 51 16.762 -3.532 -5.411 1.00 4.28 C ATOM 2453 NZ LYS B 51 15.427 -2.943 -5.657 1.00 6.08 N ATOM 0 H LYS B 51 15.391 -6.779 -3.625 1.00 1.06 H new ATOM 0 HA LYS B 51 17.312 -8.255 -2.330 1.00 1.20 H new ATOM 0 HB2 LYS B 51 18.886 -7.393 -3.805 1.00 1.58 H new ATOM 0 HB3 LYS B 51 17.370 -7.534 -4.672 1.00 1.58 H new ATOM 0 HG2 LYS B 51 18.562 -4.936 -3.616 1.00 2.01 H new ATOM 0 HG3 LYS B 51 18.612 -5.479 -5.281 1.00 2.01 H new ATOM 0 HD2 LYS B 51 16.024 -5.542 -5.172 1.00 3.31 H new ATOM 0 HD3 LYS B 51 16.172 -4.653 -3.669 1.00 3.31 H new ATOM 0 HE2 LYS B 51 17.378 -2.823 -4.858 1.00 4.28 H new ATOM 0 HE3 LYS B 51 17.262 -3.714 -6.362 1.00 4.28 H new ATOM 0 HZ1 LYS B 51 15.481 -2.285 -6.460 1.00 6.08 H new ATOM 0 HZ2 LYS B 51 14.748 -3.700 -5.874 1.00 6.08 H new ATOM 0 HZ3 LYS B 51 15.113 -2.429 -4.809 1.00 6.08 H new ATOM 2467 N ASP B 52 18.579 -6.944 -0.628 1.00 1.21 N ATOM 2468 CA ASP B 52 18.889 -6.562 0.741 1.00 1.29 C ATOM 2469 C ASP B 52 17.707 -6.890 1.652 1.00 1.32 C ATOM 2470 O ASP B 52 16.944 -6.026 2.080 1.00 1.97 O ATOM 2471 CB ASP B 52 19.393 -5.126 0.929 1.00 1.62 C ATOM 2472 CG ASP B 52 19.570 -4.844 2.415 1.00 2.39 C ATOM 2473 OD1 ASP B 52 19.945 -5.795 3.142 1.00 3.35 O ATOM 2474 OD2 ASP B 52 19.292 -3.690 2.812 1.00 2.99 O ATOM 0 H ASP B 52 19.116 -7.755 -0.935 1.00 1.21 H new ATOM 0 HA ASP B 52 19.750 -7.163 1.032 1.00 1.29 H new ATOM 0 HB2 ASP B 52 20.340 -4.989 0.406 1.00 1.62 H new ATOM 0 HB3 ASP B 52 18.685 -4.420 0.495 1.00 1.62 H new ATOM 2479 N VAL B 53 17.625 -8.175 1.995 1.00 0.93 N ATOM 2480 CA VAL B 53 16.875 -8.645 3.148 1.00 0.96 C ATOM 2481 C VAL B 53 17.780 -8.683 4.391 1.00 1.29 C ATOM 2482 O VAL B 53 17.374 -9.211 5.426 1.00 1.52 O ATOM 2483 CB VAL B 53 16.263 -10.025 2.839 1.00 0.95 C ATOM 2484 CG1 VAL B 53 15.402 -9.978 1.570 1.00 1.36 C ATOM 2485 CG2 VAL B 53 17.312 -11.137 2.692 1.00 1.43 C ATOM 0 H VAL B 53 18.083 -8.922 1.473 1.00 0.93 H new ATOM 0 HA VAL B 53 16.058 -7.956 3.362 1.00 0.96 H new ATOM 0 HB VAL B 53 15.643 -10.267 3.702 1.00 0.95 H new ATOM 0 HG11 VAL B 53 14.984 -10.966 1.377 1.00 1.36 H new ATOM 0 HG12 VAL B 53 14.592 -9.261 1.706 1.00 1.36 H new ATOM 0 HG13 VAL B 53 16.018 -9.673 0.724 1.00 1.36 H new ATOM 0 HG21 VAL B 53 16.813 -12.082 2.475 1.00 1.43 H new ATOM 0 HG22 VAL B 53 17.992 -10.890 1.877 1.00 1.43 H new ATOM 0 HG23 VAL B 53 17.877 -11.230 3.620 1.00 1.43 H new ATOM 2495 N GLY B 54 19.017 -8.173 4.296 1.00 1.67 N ATOM 2496 CA GLY B 54 20.017 -8.323 5.337 1.00 2.21 C ATOM 2497 C GLY B 54 19.872 -7.162 6.301 1.00 1.96 C ATOM 2498 O GLY B 54 19.446 -7.341 7.442 1.00 2.30 O ATOM 0 H GLY B 54 19.343 -7.644 3.487 1.00 1.67 H new ATOM 0 HA2 GLY B 54 19.883 -9.270 5.859 1.00 2.21 H new ATOM 0 HA3 GLY B 54 21.017 -8.336 4.905 1.00 2.21 H new ATOM 2502 N SER B 55 20.138 -5.952 5.807 1.00 1.54 N ATOM 2503 CA SER B 55 19.898 -4.710 6.521 1.00 1.40 C ATOM 2504 C SER B 55 18.402 -4.385 6.442 1.00 1.13 C ATOM 2505 O SER B 55 17.994 -3.279 6.103 1.00 1.21 O ATOM 2506 CB SER B 55 20.792 -3.608 5.930 1.00 1.58 C ATOM 2507 OG SER B 55 20.780 -2.449 6.738 1.00 2.65 O ATOM 0 H SER B 55 20.535 -5.812 4.878 1.00 1.54 H new ATOM 0 HA SER B 55 20.159 -4.794 7.576 1.00 1.40 H new ATOM 0 HB2 SER B 55 21.813 -3.977 5.835 1.00 1.58 H new ATOM 0 HB3 SER B 55 20.449 -3.358 4.926 1.00 1.58 H new ATOM 0 HG SER B 55 20.708 -1.654 6.169 1.00 2.65 H new ATOM 2513 N LEU B 56 17.545 -5.350 6.767 1.00 1.02 N ATOM 2514 CA LEU B 56 16.124 -5.129 6.912 1.00 0.96 C ATOM 2515 C LEU B 56 15.909 -4.144 8.057 1.00 0.91 C ATOM 2516 O LEU B 56 15.087 -3.237 7.977 1.00 0.94 O ATOM 2517 CB LEU B 56 15.511 -6.496 7.215 1.00 0.99 C ATOM 2518 CG LEU B 56 14.001 -6.544 7.452 1.00 0.98 C ATOM 2519 CD1 LEU B 56 13.581 -6.054 8.844 1.00 1.16 C ATOM 2520 CD2 LEU B 56 13.276 -5.793 6.337 1.00 0.99 C ATOM 0 H LEU B 56 17.829 -6.315 6.937 1.00 1.02 H new ATOM 0 HA LEU B 56 15.660 -4.707 6.020 1.00 0.96 H new ATOM 0 HB2 LEU B 56 15.745 -7.163 6.385 1.00 0.99 H new ATOM 0 HB3 LEU B 56 16.005 -6.900 8.098 1.00 0.99 H new ATOM 0 HG LEU B 56 13.704 -7.592 7.424 1.00 0.98 H new ATOM 0 HD11 LEU B 56 12.497 -6.117 8.940 1.00 1.16 H new ATOM 0 HD12 LEU B 56 14.049 -6.677 9.606 1.00 1.16 H new ATOM 0 HD13 LEU B 56 13.898 -5.020 8.976 1.00 1.16 H new ATOM 0 HD21 LEU B 56 12.201 -5.831 6.512 1.00 0.99 H new ATOM 0 HD22 LEU B 56 13.605 -4.754 6.325 1.00 0.99 H new ATOM 0 HD23 LEU B 56 13.504 -6.257 5.378 1.00 0.99 H new ATOM 2532 N ASP B 57 16.673 -4.330 9.128 1.00 0.97 N ATOM 2533 CA ASP B 57 16.524 -3.650 10.405 1.00 1.12 C ATOM 2534 C ASP B 57 16.688 -2.129 10.224 1.00 0.91 C ATOM 2535 O ASP B 57 16.027 -1.331 10.888 1.00 0.89 O ATOM 2536 CB ASP B 57 17.494 -4.281 11.424 1.00 1.62 C ATOM 2537 CG ASP B 57 17.620 -5.798 11.238 1.00 2.96 C ATOM 2538 OD1 ASP B 57 18.219 -6.193 10.211 1.00 3.38 O ATOM 2539 OD2 ASP B 57 17.047 -6.598 12.011 1.00 4.35 O ATOM 0 H ASP B 57 17.450 -4.991 9.127 1.00 0.97 H new ATOM 0 HA ASP B 57 15.519 -3.783 10.806 1.00 1.12 H new ATOM 0 HB2 ASP B 57 18.477 -3.821 11.321 1.00 1.62 H new ATOM 0 HB3 ASP B 57 17.146 -4.068 12.435 1.00 1.62 H new ATOM 2544 N GLU B 58 17.531 -1.724 9.266 1.00 0.93 N ATOM 2545 CA GLU B 58 17.622 -0.357 8.765 1.00 0.96 C ATOM 2546 C GLU B 58 16.259 0.119 8.242 1.00 0.80 C ATOM 2547 O GLU B 58 15.752 1.156 8.673 1.00 0.86 O ATOM 2548 CB GLU B 58 18.674 -0.344 7.649 1.00 1.14 C ATOM 2549 CG GLU B 58 18.803 0.956 6.840 1.00 1.62 C ATOM 2550 CD GLU B 58 19.340 0.677 5.440 1.00 1.58 C ATOM 2551 OE1 GLU B 58 19.976 -0.386 5.253 1.00 2.38 O ATOM 2552 OE2 GLU B 58 18.956 1.418 4.512 1.00 1.88 O ATOM 0 H GLU B 58 18.184 -2.360 8.809 1.00 0.93 H new ATOM 0 HA GLU B 58 17.913 0.325 9.564 1.00 0.96 H new ATOM 0 HB2 GLU B 58 19.644 -0.567 8.093 1.00 1.14 H new ATOM 0 HB3 GLU B 58 18.446 -1.155 6.957 1.00 1.14 H new ATOM 0 HG2 GLU B 58 17.830 1.443 6.770 1.00 1.62 H new ATOM 0 HG3 GLU B 58 19.469 1.646 7.358 1.00 1.62 H new ATOM 2559 N LYS B 59 15.666 -0.627 7.296 1.00 0.73 N ATOM 2560 CA LYS B 59 14.348 -0.280 6.776 1.00 0.82 C ATOM 2561 C LYS B 59 13.381 -0.176 7.957 1.00 0.77 C ATOM 2562 O LYS B 59 12.683 0.826 8.076 1.00 0.85 O ATOM 2563 CB LYS B 59 13.820 -1.273 5.718 1.00 0.95 C ATOM 2564 CG LYS B 59 14.347 -1.119 4.277 1.00 1.33 C ATOM 2565 CD LYS B 59 15.631 -1.905 3.950 1.00 1.70 C ATOM 2566 CE LYS B 59 16.858 -0.978 3.911 1.00 2.51 C ATOM 2567 NZ LYS B 59 18.145 -1.707 3.955 1.00 3.94 N ATOM 0 H LYS B 59 16.079 -1.464 6.884 1.00 0.73 H new ATOM 0 HA LYS B 59 14.431 0.674 6.256 1.00 0.82 H new ATOM 0 HB2 LYS B 59 14.054 -2.282 6.056 1.00 0.95 H new ATOM 0 HB3 LYS B 59 12.734 -1.190 5.690 1.00 0.95 H new ATOM 0 HG2 LYS B 59 13.564 -1.434 3.587 1.00 1.33 H new ATOM 0 HG3 LYS B 59 14.532 -0.062 4.088 1.00 1.33 H new ATOM 0 HD2 LYS B 59 15.784 -2.683 4.698 1.00 1.70 H new ATOM 0 HD3 LYS B 59 15.519 -2.405 2.988 1.00 1.70 H new ATOM 0 HE2 LYS B 59 16.821 -0.376 3.003 1.00 2.51 H new ATOM 0 HE3 LYS B 59 16.810 -0.288 4.754 1.00 2.51 H new ATOM 0 HZ1 LYS B 59 18.931 -1.026 3.943 1.00 3.94 H new ATOM 0 HZ2 LYS B 59 18.193 -2.275 4.825 1.00 3.94 H new ATOM 0 HZ3 LYS B 59 18.218 -2.334 3.128 1.00 3.94 H new ATOM 2581 N MET B 60 13.376 -1.175 8.849 1.00 0.73 N ATOM 2582 CA MET B 60 12.542 -1.182 10.052 1.00 0.78 C ATOM 2583 C MET B 60 12.676 0.143 10.801 1.00 0.76 C ATOM 2584 O MET B 60 11.669 0.784 11.089 1.00 0.80 O ATOM 2585 CB MET B 60 12.842 -2.410 10.924 1.00 0.92 C ATOM 2586 CG MET B 60 12.047 -2.431 12.237 1.00 1.08 C ATOM 2587 SD MET B 60 12.763 -1.459 13.593 1.00 1.70 S ATOM 2588 CE MET B 60 11.531 -1.727 14.885 1.00 1.77 C ATOM 0 H MET B 60 13.957 -2.008 8.753 1.00 0.73 H new ATOM 0 HA MET B 60 11.495 -1.271 9.762 1.00 0.78 H new ATOM 0 HB2 MET B 60 12.617 -3.313 10.357 1.00 0.92 H new ATOM 0 HB3 MET B 60 13.908 -2.433 11.152 1.00 0.92 H new ATOM 0 HG2 MET B 60 11.041 -2.062 12.039 1.00 1.08 H new ATOM 0 HG3 MET B 60 11.948 -3.465 12.566 1.00 1.08 H new ATOM 0 HE1 MET B 60 11.828 -1.192 15.787 1.00 1.77 H new ATOM 0 HE2 MET B 60 10.563 -1.358 14.547 1.00 1.77 H new ATOM 0 HE3 MET B 60 11.458 -2.793 15.102 1.00 1.77 H new ATOM 2598 N LYS B 61 13.910 0.574 11.069 1.00 0.77 N ATOM 2599 CA LYS B 61 14.191 1.848 11.720 1.00 0.90 C ATOM 2600 C LYS B 61 13.426 3.001 11.054 1.00 0.89 C ATOM 2601 O LYS B 61 12.818 3.824 11.735 1.00 0.98 O ATOM 2602 CB LYS B 61 15.711 2.102 11.712 1.00 1.10 C ATOM 2603 CG LYS B 61 16.267 2.580 13.059 1.00 1.67 C ATOM 2604 CD LYS B 61 16.089 1.508 14.148 1.00 2.12 C ATOM 2605 CE LYS B 61 17.165 1.591 15.239 1.00 2.34 C ATOM 2606 NZ LYS B 61 17.256 2.935 15.844 1.00 3.40 N ATOM 0 H LYS B 61 14.748 0.041 10.837 1.00 0.77 H new ATOM 0 HA LYS B 61 13.846 1.799 12.753 1.00 0.90 H new ATOM 0 HB2 LYS B 61 16.222 1.183 11.424 1.00 1.10 H new ATOM 0 HB3 LYS B 61 15.941 2.846 10.950 1.00 1.10 H new ATOM 0 HG2 LYS B 61 17.324 2.822 12.953 1.00 1.67 H new ATOM 0 HG3 LYS B 61 15.759 3.496 13.360 1.00 1.67 H new ATOM 0 HD2 LYS B 61 15.105 1.618 14.604 1.00 2.12 H new ATOM 0 HD3 LYS B 61 16.118 0.520 13.688 1.00 2.12 H new ATOM 0 HE2 LYS B 61 16.946 0.860 16.017 1.00 2.34 H new ATOM 0 HE3 LYS B 61 18.131 1.322 14.813 1.00 2.34 H new ATOM 0 HZ1 LYS B 61 17.923 2.912 16.641 1.00 3.40 H new ATOM 0 HZ2 LYS B 61 17.591 3.615 15.131 1.00 3.40 H new ATOM 0 HZ3 LYS B 61 16.318 3.226 16.186 1.00 3.40 H new ATOM 2620 N SER B 62 13.460 3.062 9.721 1.00 0.90 N ATOM 2621 CA SER B 62 12.777 4.101 8.956 1.00 1.06 C ATOM 2622 C SER B 62 11.253 3.913 8.991 1.00 1.00 C ATOM 2623 O SER B 62 10.493 4.885 9.026 1.00 1.20 O ATOM 2624 CB SER B 62 13.308 4.099 7.516 1.00 1.23 C ATOM 2625 OG SER B 62 12.886 5.257 6.821 1.00 2.14 O ATOM 0 H SER B 62 13.964 2.390 9.143 1.00 0.90 H new ATOM 0 HA SER B 62 12.984 5.070 9.410 1.00 1.06 H new ATOM 0 HB2 SER B 62 14.397 4.052 7.526 1.00 1.23 H new ATOM 0 HB3 SER B 62 12.955 3.209 6.995 1.00 1.23 H new ATOM 0 HG SER B 62 13.237 5.236 5.906 1.00 2.14 H new ATOM 2631 N LEU B 63 10.795 2.662 8.915 1.00 0.82 N ATOM 2632 CA LEU B 63 9.390 2.302 8.827 1.00 0.79 C ATOM 2633 C LEU B 63 8.665 2.616 10.137 1.00 0.74 C ATOM 2634 O LEU B 63 7.600 3.232 10.104 1.00 0.77 O ATOM 2635 CB LEU B 63 9.256 0.815 8.493 1.00 0.83 C ATOM 2636 CG LEU B 63 9.708 0.456 7.070 1.00 1.10 C ATOM 2637 CD1 LEU B 63 9.977 -1.044 7.015 1.00 1.02 C ATOM 2638 CD2 LEU B 63 8.618 0.771 6.049 1.00 1.63 C ATOM 0 H LEU B 63 11.415 1.852 8.913 1.00 0.82 H new ATOM 0 HA LEU B 63 8.930 2.891 8.034 1.00 0.79 H new ATOM 0 HB2 LEU B 63 9.843 0.237 9.207 1.00 0.83 H new ATOM 0 HB3 LEU B 63 8.216 0.516 8.620 1.00 0.83 H new ATOM 0 HG LEU B 63 10.599 1.038 6.833 1.00 1.10 H new ATOM 0 HD11 LEU B 63 10.300 -1.319 6.011 1.00 1.02 H new ATOM 0 HD12 LEU B 63 10.759 -1.300 7.730 1.00 1.02 H new ATOM 0 HD13 LEU B 63 9.065 -1.587 7.265 1.00 1.02 H new ATOM 0 HD21 LEU B 63 8.967 0.506 5.051 1.00 1.63 H new ATOM 0 HD22 LEU B 63 7.722 0.197 6.284 1.00 1.63 H new ATOM 0 HD23 LEU B 63 8.386 1.835 6.082 1.00 1.63 H new ATOM 2650 N ASP B 64 9.265 2.225 11.265 1.00 0.76 N ATOM 2651 CA ASP B 64 8.738 2.291 12.627 1.00 0.85 C ATOM 2652 C ASP B 64 8.414 3.694 13.155 1.00 0.95 C ATOM 2653 O ASP B 64 7.907 3.824 14.270 1.00 1.06 O ATOM 2654 CB ASP B 64 9.598 1.482 13.606 1.00 0.91 C ATOM 2655 CG ASP B 64 8.881 1.267 14.935 1.00 1.13 C ATOM 2656 OD1 ASP B 64 7.642 1.096 14.919 1.00 1.22 O ATOM 2657 OD2 ASP B 64 9.552 1.319 15.983 1.00 1.64 O ATOM 0 H ASP B 64 10.203 1.824 11.246 1.00 0.76 H new ATOM 0 HA ASP B 64 7.758 1.819 12.557 1.00 0.85 H new ATOM 0 HB2 ASP B 64 9.844 0.517 13.164 1.00 0.91 H new ATOM 0 HB3 ASP B 64 10.540 2.002 13.780 1.00 0.91 H new ATOM 2662 N VAL B 65 8.831 4.737 12.426 1.00 0.96 N ATOM 2663 CA VAL B 65 9.386 6.034 12.788 1.00 1.09 C ATOM 2664 C VAL B 65 8.920 6.737 14.075 1.00 1.28 C ATOM 2665 O VAL B 65 9.636 7.605 14.565 1.00 1.48 O ATOM 2666 CB VAL B 65 9.164 6.926 11.550 1.00 1.12 C ATOM 2667 CG1 VAL B 65 7.790 7.611 11.515 1.00 2.59 C ATOM 2668 CG2 VAL B 65 10.319 7.901 11.385 1.00 2.82 C ATOM 0 H VAL B 65 8.773 4.670 11.410 1.00 0.96 H new ATOM 0 HA VAL B 65 10.426 5.852 13.058 1.00 1.09 H new ATOM 0 HB VAL B 65 9.153 6.268 10.681 1.00 1.12 H new ATOM 0 HG11 VAL B 65 7.710 8.220 10.615 1.00 2.59 H new ATOM 0 HG12 VAL B 65 7.006 6.854 11.511 1.00 2.59 H new ATOM 0 HG13 VAL B 65 7.677 8.246 12.394 1.00 2.59 H new ATOM 0 HG21 VAL B 65 10.147 8.523 10.507 1.00 2.82 H new ATOM 0 HG22 VAL B 65 10.390 8.534 12.270 1.00 2.82 H new ATOM 0 HG23 VAL B 65 11.249 7.346 11.260 1.00 2.82 H new ATOM 2678 N ASN B 66 7.780 6.369 14.662 1.00 1.27 N ATOM 2679 CA ASN B 66 7.559 6.617 16.090 1.00 1.41 C ATOM 2680 C ASN B 66 8.763 6.100 16.892 1.00 1.57 C ATOM 2681 O ASN B 66 9.167 6.717 17.872 1.00 1.90 O ATOM 2682 CB ASN B 66 6.283 5.942 16.635 1.00 1.37 C ATOM 2683 CG ASN B 66 5.263 5.515 15.586 1.00 2.03 C ATOM 2684 OD1 ASN B 66 5.152 4.332 15.269 1.00 2.07 O ATOM 2685 ND2 ASN B 66 4.521 6.462 15.020 1.00 3.24 N ATOM 0 H ASN B 66 7.008 5.907 14.183 1.00 1.27 H new ATOM 0 HA ASN B 66 7.436 7.694 16.203 1.00 1.41 H new ATOM 0 HB2 ASN B 66 6.576 5.063 17.210 1.00 1.37 H new ATOM 0 HB3 ASN B 66 5.798 6.629 17.328 1.00 1.37 H new ATOM 0 HD21 ASN B 66 3.839 6.215 14.303 1.00 3.24 H new ATOM 0 HD22 ASN B 66 4.634 7.436 15.302 1.00 3.24 H new ATOM 2692 N GLN B 67 9.307 4.954 16.462 1.00 1.41 N ATOM 2693 CA GLN B 67 10.420 4.239 17.070 1.00 1.52 C ATOM 2694 C GLN B 67 9.960 3.615 18.390 1.00 1.54 C ATOM 2695 O GLN B 67 10.378 4.022 19.471 1.00 1.84 O ATOM 2696 CB GLN B 67 11.678 5.117 17.160 1.00 1.89 C ATOM 2697 CG GLN B 67 12.913 4.263 17.483 1.00 2.09 C ATOM 2698 CD GLN B 67 14.223 4.980 17.171 1.00 2.24 C ATOM 2699 OE1 GLN B 67 15.178 4.358 16.701 1.00 2.23 O ATOM 2700 NE2 GLN B 67 14.295 6.284 17.416 1.00 3.27 N ATOM 0 H GLN B 67 8.956 4.479 15.631 1.00 1.41 H new ATOM 0 HA GLN B 67 10.732 3.411 16.434 1.00 1.52 H new ATOM 0 HB2 GLN B 67 11.829 5.642 16.217 1.00 1.89 H new ATOM 0 HB3 GLN B 67 11.543 5.877 17.930 1.00 1.89 H new ATOM 0 HG2 GLN B 67 12.895 3.990 18.538 1.00 2.09 H new ATOM 0 HG3 GLN B 67 12.867 3.335 16.913 1.00 2.09 H new ATOM 0 HE21 GLN B 67 13.490 6.775 17.805 1.00 3.27 H new ATOM 0 HE22 GLN B 67 15.155 6.794 17.215 1.00 3.27 H new ATOM 2709 N ASP B 68 9.070 2.629 18.261 1.00 1.46 N ATOM 2710 CA ASP B 68 8.372 1.941 19.346 1.00 1.49 C ATOM 2711 C ASP B 68 8.507 0.407 19.289 1.00 1.38 C ATOM 2712 O ASP B 68 8.220 -0.246 20.289 1.00 1.91 O ATOM 2713 CB ASP B 68 6.896 2.381 19.382 1.00 1.65 C ATOM 2714 CG ASP B 68 6.156 2.056 18.102 1.00 1.54 C ATOM 2715 OD1 ASP B 68 6.403 1.014 17.474 1.00 1.37 O ATOM 2716 OD2 ASP B 68 5.410 2.890 17.553 1.00 1.97 O ATOM 0 H ASP B 68 8.803 2.270 17.344 1.00 1.46 H new ATOM 0 HA ASP B 68 8.856 2.236 20.277 1.00 1.49 H new ATOM 0 HB2 ASP B 68 6.396 1.893 20.219 1.00 1.65 H new ATOM 0 HB3 ASP B 68 6.846 3.455 19.563 1.00 1.65 H new ATOM 2721 N SER B 69 8.971 -0.178 18.175 1.00 1.27 N ATOM 2722 CA SER B 69 9.153 -1.610 17.938 1.00 1.14 C ATOM 2723 C SER B 69 7.914 -2.312 17.370 1.00 1.16 C ATOM 2724 O SER B 69 8.030 -3.467 16.959 1.00 1.30 O ATOM 2725 CB SER B 69 9.710 -2.368 19.153 1.00 1.35 C ATOM 2726 OG SER B 69 10.777 -1.652 19.742 1.00 2.22 O ATOM 0 H SER B 69 9.246 0.377 17.365 1.00 1.27 H new ATOM 0 HA SER B 69 9.915 -1.647 17.160 1.00 1.14 H new ATOM 0 HB2 SER B 69 8.919 -2.520 19.887 1.00 1.35 H new ATOM 0 HB3 SER B 69 10.054 -3.356 18.845 1.00 1.35 H new ATOM 0 HG SER B 69 11.117 -2.149 20.515 1.00 2.22 H new ATOM 2732 N GLU B 70 6.751 -1.656 17.329 1.00 1.17 N ATOM 2733 CA GLU B 70 5.531 -2.198 16.752 1.00 1.19 C ATOM 2734 C GLU B 70 5.194 -1.419 15.489 1.00 1.15 C ATOM 2735 O GLU B 70 4.877 -0.232 15.559 1.00 1.18 O ATOM 2736 CB GLU B 70 4.367 -2.086 17.745 1.00 1.32 C ATOM 2737 CG GLU B 70 4.521 -3.054 18.922 1.00 1.53 C ATOM 2738 CD GLU B 70 3.168 -3.354 19.544 1.00 2.12 C ATOM 2739 OE1 GLU B 70 2.343 -3.992 18.855 1.00 2.77 O ATOM 2740 OE2 GLU B 70 2.938 -2.969 20.710 1.00 3.32 O ATOM 0 H GLU B 70 6.635 -0.715 17.705 1.00 1.17 H new ATOM 0 HA GLU B 70 5.686 -3.251 16.517 1.00 1.19 H new ATOM 0 HB2 GLU B 70 4.308 -1.065 18.121 1.00 1.32 H new ATOM 0 HB3 GLU B 70 3.429 -2.290 17.228 1.00 1.32 H new ATOM 0 HG2 GLU B 70 4.984 -3.980 18.581 1.00 1.53 H new ATOM 0 HG3 GLU B 70 5.185 -2.622 19.671 1.00 1.53 H new ATOM 2747 N LEU B 71 5.230 -2.070 14.329 1.00 1.16 N ATOM 2748 CA LEU B 71 4.791 -1.470 13.084 1.00 1.18 C ATOM 2749 C LEU B 71 3.270 -1.658 13.037 1.00 1.16 C ATOM 2750 O LEU B 71 2.823 -2.748 12.678 1.00 1.16 O ATOM 2751 CB LEU B 71 5.476 -2.172 11.897 1.00 1.22 C ATOM 2752 CG LEU B 71 7.001 -1.985 11.745 1.00 1.14 C ATOM 2753 CD1 LEU B 71 7.326 -0.816 10.816 1.00 1.12 C ATOM 2754 CD2 LEU B 71 7.805 -1.861 13.042 1.00 1.35 C ATOM 0 H LEU B 71 5.565 -3.028 14.232 1.00 1.16 H new ATOM 0 HA LEU B 71 5.051 -0.413 13.023 1.00 1.18 H new ATOM 0 HB2 LEU B 71 5.274 -3.240 11.975 1.00 1.22 H new ATOM 0 HB3 LEU B 71 5.001 -1.824 10.980 1.00 1.22 H new ATOM 0 HG LEU B 71 7.326 -2.928 11.306 1.00 1.14 H new ATOM 0 HD11 LEU B 71 8.407 -0.710 10.729 1.00 1.12 H new ATOM 0 HD12 LEU B 71 6.900 -1.005 9.831 1.00 1.12 H new ATOM 0 HD13 LEU B 71 6.903 0.102 11.224 1.00 1.12 H new ATOM 0 HD21 LEU B 71 8.861 -1.734 12.805 1.00 1.35 H new ATOM 0 HD22 LEU B 71 7.454 -0.997 13.607 1.00 1.35 H new ATOM 0 HD23 LEU B 71 7.673 -2.763 13.639 1.00 1.35 H new ATOM 2766 N LYS B 72 2.483 -0.643 13.424 1.00 1.18 N ATOM 2767 CA LYS B 72 1.016 -0.739 13.452 1.00 1.18 C ATOM 2768 C LYS B 72 0.430 -0.472 12.062 1.00 1.23 C ATOM 2769 O LYS B 72 1.173 -0.184 11.123 1.00 1.20 O ATOM 2770 CB LYS B 72 0.412 0.180 14.530 1.00 1.34 C ATOM 2771 CG LYS B 72 0.393 1.670 14.151 1.00 1.76 C ATOM 2772 CD LYS B 72 -0.100 2.563 15.297 1.00 2.62 C ATOM 2773 CE LYS B 72 -1.597 2.357 15.584 1.00 3.07 C ATOM 2774 NZ LYS B 72 -2.099 3.298 16.606 1.00 4.28 N ATOM 0 H LYS B 72 2.843 0.263 13.725 1.00 1.18 H new ATOM 0 HA LYS B 72 0.744 -1.758 13.728 1.00 1.18 H new ATOM 0 HB2 LYS B 72 -0.608 -0.144 14.737 1.00 1.34 H new ATOM 0 HB3 LYS B 72 0.978 0.059 15.453 1.00 1.34 H new ATOM 0 HG2 LYS B 72 1.397 1.980 13.859 1.00 1.76 H new ATOM 0 HG3 LYS B 72 -0.250 1.812 13.282 1.00 1.76 H new ATOM 0 HD2 LYS B 72 0.475 2.348 16.198 1.00 2.62 H new ATOM 0 HD3 LYS B 72 0.081 3.608 15.046 1.00 2.62 H new ATOM 0 HE2 LYS B 72 -2.164 2.487 14.662 1.00 3.07 H new ATOM 0 HE3 LYS B 72 -1.764 1.334 15.920 1.00 3.07 H new ATOM 0 HZ1 LYS B 72 -3.111 3.125 16.769 1.00 4.28 H new ATOM 0 HZ2 LYS B 72 -1.576 3.158 17.494 1.00 4.28 H new ATOM 0 HZ3 LYS B 72 -1.963 4.275 16.275 1.00 4.28 H new ATOM 2788 N PHE B 73 -0.898 -0.552 11.890 1.00 1.33 N ATOM 2789 CA PHE B 73 -1.481 -0.589 10.549 1.00 1.27 C ATOM 2790 C PHE B 73 -1.654 0.801 9.899 1.00 1.32 C ATOM 2791 O PHE B 73 -2.656 1.066 9.240 1.00 1.55 O ATOM 2792 CB PHE B 73 -2.815 -1.365 10.609 1.00 1.49 C ATOM 2793 CG PHE B 73 -3.967 -0.704 11.360 1.00 2.45 C ATOM 2794 CD1 PHE B 73 -4.077 -0.833 12.759 1.00 3.45 C ATOM 2795 CD2 PHE B 73 -5.013 -0.086 10.646 1.00 3.68 C ATOM 2796 CE1 PHE B 73 -5.196 -0.318 13.437 1.00 4.93 C ATOM 2797 CE2 PHE B 73 -6.125 0.445 11.324 1.00 5.10 C ATOM 2798 CZ PHE B 73 -6.217 0.331 12.722 1.00 5.56 C ATOM 0 H PHE B 73 -1.575 -0.592 12.652 1.00 1.33 H new ATOM 0 HA PHE B 73 -0.777 -1.105 9.897 1.00 1.27 H new ATOM 0 HB2 PHE B 73 -3.142 -1.556 9.587 1.00 1.49 H new ATOM 0 HB3 PHE B 73 -2.623 -2.334 11.069 1.00 1.49 H new ATOM 0 HD1 PHE B 73 -3.296 -1.331 13.314 1.00 3.45 H new ATOM 0 HD2 PHE B 73 -4.960 -0.020 9.569 1.00 3.68 H new ATOM 0 HE1 PHE B 73 -5.271 -0.421 14.509 1.00 4.93 H new ATOM 0 HE2 PHE B 73 -6.909 0.941 10.770 1.00 5.10 H new ATOM 0 HZ PHE B 73 -7.069 0.741 13.245 1.00 5.56 H new ATOM 2808 N ASN B 74 -0.568 1.585 9.865 1.00 1.33 N ATOM 2809 CA ASN B 74 -0.037 2.209 8.656 1.00 1.16 C ATOM 2810 C ASN B 74 1.411 2.640 8.956 1.00 1.12 C ATOM 2811 O ASN B 74 1.820 3.754 8.643 1.00 1.39 O ATOM 2812 CB ASN B 74 -0.898 3.455 8.341 1.00 1.31 C ATOM 2813 CG ASN B 74 -0.765 4.047 6.937 1.00 1.82 C ATOM 2814 OD1 ASN B 74 -1.767 4.207 6.244 1.00 2.37 O ATOM 2815 ND2 ASN B 74 0.419 4.466 6.515 1.00 2.26 N ATOM 0 H ASN B 74 -0.025 1.805 10.700 1.00 1.33 H new ATOM 0 HA ASN B 74 -0.058 1.526 7.806 1.00 1.16 H new ATOM 0 HB2 ASN B 74 -1.944 3.195 8.503 1.00 1.31 H new ATOM 0 HB3 ASN B 74 -0.648 4.232 9.063 1.00 1.31 H new ATOM 0 HD21 ASN B 74 0.504 4.926 5.608 1.00 2.26 H new ATOM 0 HD22 ASN B 74 1.246 4.329 7.097 1.00 2.26 H new ATOM 2822 N GLU B 75 2.230 1.770 9.546 1.00 1.00 N ATOM 2823 CA GLU B 75 3.671 1.772 9.419 1.00 0.89 C ATOM 2824 C GLU B 75 4.075 0.787 8.334 1.00 0.84 C ATOM 2825 O GLU B 75 4.579 1.152 7.277 1.00 0.83 O ATOM 2826 CB GLU B 75 4.288 1.486 10.784 1.00 0.91 C ATOM 2827 CG GLU B 75 3.693 2.438 11.827 1.00 1.08 C ATOM 2828 CD GLU B 75 4.377 2.236 13.149 1.00 1.00 C ATOM 2829 OE1 GLU B 75 5.591 2.474 13.254 1.00 2.07 O ATOM 2830 OE2 GLU B 75 3.763 1.772 14.129 1.00 1.93 O ATOM 0 H GLU B 75 1.887 1.020 10.146 1.00 1.00 H new ATOM 0 HA GLU B 75 4.050 2.745 9.106 1.00 0.89 H new ATOM 0 HB2 GLU B 75 4.098 0.452 11.071 1.00 0.91 H new ATOM 0 HB3 GLU B 75 5.370 1.611 10.739 1.00 0.91 H new ATOM 0 HG2 GLU B 75 3.812 3.471 11.500 1.00 1.08 H new ATOM 0 HG3 GLU B 75 2.623 2.257 11.929 1.00 1.08 H new ATOM 2837 N TYR B 76 3.764 -0.484 8.619 1.00 0.84 N ATOM 2838 CA TYR B 76 4.103 -1.648 7.815 1.00 0.80 C ATOM 2839 C TYR B 76 3.705 -1.428 6.362 1.00 0.78 C ATOM 2840 O TYR B 76 4.488 -1.719 5.461 1.00 0.80 O ATOM 2841 CB TYR B 76 3.420 -2.887 8.417 1.00 0.84 C ATOM 2842 CG TYR B 76 3.168 -4.019 7.438 1.00 1.05 C ATOM 2843 CD1 TYR B 76 4.212 -4.874 7.039 1.00 2.30 C ATOM 2844 CD2 TYR B 76 1.898 -4.148 6.845 1.00 2.35 C ATOM 2845 CE1 TYR B 76 3.985 -5.861 6.064 1.00 2.81 C ATOM 2846 CE2 TYR B 76 1.680 -5.116 5.855 1.00 2.94 C ATOM 2847 CZ TYR B 76 2.714 -5.986 5.478 1.00 2.62 C ATOM 2848 OH TYR B 76 2.470 -6.962 4.557 1.00 3.48 O ATOM 0 H TYR B 76 3.243 -0.732 9.460 1.00 0.84 H new ATOM 0 HA TYR B 76 5.181 -1.807 7.827 1.00 0.80 H new ATOM 0 HB2 TYR B 76 4.037 -3.263 9.233 1.00 0.84 H new ATOM 0 HB3 TYR B 76 2.467 -2.583 8.851 1.00 0.84 H new ATOM 0 HD1 TYR B 76 5.191 -4.772 7.483 1.00 2.30 H new ATOM 0 HD2 TYR B 76 1.091 -3.500 7.153 1.00 2.35 H new ATOM 0 HE1 TYR B 76 4.786 -6.522 5.766 1.00 2.81 H new ATOM 0 HE2 TYR B 76 0.713 -5.192 5.381 1.00 2.94 H new ATOM 0 HH TYR B 76 3.040 -7.737 4.743 1.00 3.48 H new ATOM 2858 N TRP B 77 2.504 -0.878 6.154 1.00 0.78 N ATOM 2859 CA TRP B 77 1.991 -0.523 4.843 1.00 0.77 C ATOM 2860 C TRP B 77 3.073 0.130 3.969 1.00 0.73 C ATOM 2861 O TRP B 77 3.192 -0.220 2.798 1.00 0.74 O ATOM 2862 CB TRP B 77 0.757 0.379 5.000 1.00 0.81 C ATOM 2863 CG TRP B 77 0.483 1.245 3.814 1.00 0.83 C ATOM 2864 CD1 TRP B 77 0.874 2.533 3.723 1.00 2.11 C ATOM 2865 CD2 TRP B 77 -0.054 0.901 2.501 1.00 1.72 C ATOM 2866 NE1 TRP B 77 0.576 3.032 2.483 1.00 1.98 N ATOM 2867 CE2 TRP B 77 -0.001 2.074 1.693 1.00 1.41 C ATOM 2868 CE3 TRP B 77 -0.562 -0.268 1.892 1.00 3.62 C ATOM 2869 CZ2 TRP B 77 -0.466 2.109 0.380 1.00 2.33 C ATOM 2870 CZ3 TRP B 77 -0.959 -0.255 0.540 1.00 4.60 C ATOM 2871 CH2 TRP B 77 -0.925 0.926 -0.203 1.00 3.94 C ATOM 0 H TRP B 77 1.855 -0.666 6.912 1.00 0.78 H new ATOM 0 HA TRP B 77 1.689 -1.434 4.325 1.00 0.77 H new ATOM 0 HB2 TRP B 77 -0.116 -0.246 5.190 1.00 0.81 H new ATOM 0 HB3 TRP B 77 0.892 1.013 5.876 1.00 0.81 H new ATOM 0 HD1 TRP B 77 1.353 3.090 4.514 1.00 2.11 H new ATOM 0 HE1 TRP B 77 0.760 3.991 2.187 1.00 1.98 H new ATOM 0 HE3 TRP B 77 -0.647 -1.178 2.467 1.00 3.62 H new ATOM 0 HZ2 TRP B 77 -0.471 3.034 -0.177 1.00 2.33 H new ATOM 0 HZ3 TRP B 77 -1.294 -1.170 0.073 1.00 4.60 H new ATOM 0 HH2 TRP B 77 -1.255 0.925 -1.231 1.00 3.94 H new ATOM 2882 N ARG B 78 3.874 1.052 4.521 1.00 0.73 N ATOM 2883 CA ARG B 78 4.958 1.711 3.795 1.00 0.71 C ATOM 2884 C ARG B 78 5.788 0.701 2.991 1.00 0.61 C ATOM 2885 O ARG B 78 6.094 0.943 1.824 1.00 0.65 O ATOM 2886 CB ARG B 78 5.882 2.437 4.779 1.00 0.76 C ATOM 2887 CG ARG B 78 5.274 3.668 5.468 1.00 1.00 C ATOM 2888 CD ARG B 78 6.155 4.041 6.674 1.00 1.54 C ATOM 2889 NE ARG B 78 6.221 5.493 6.915 1.00 2.22 N ATOM 2890 CZ ARG B 78 7.220 6.058 7.616 1.00 3.10 C ATOM 2891 NH1 ARG B 78 7.917 5.320 8.481 1.00 4.16 N ATOM 2892 NH2 ARG B 78 7.537 7.344 7.433 1.00 3.88 N ATOM 0 H ARG B 78 3.784 1.360 5.489 1.00 0.73 H new ATOM 0 HA ARG B 78 4.507 2.424 3.105 1.00 0.71 H new ATOM 0 HB2 ARG B 78 6.195 1.729 5.547 1.00 0.76 H new ATOM 0 HB3 ARG B 78 6.781 2.747 4.246 1.00 0.76 H new ATOM 0 HG2 ARG B 78 5.216 4.503 4.769 1.00 1.00 H new ATOM 0 HG3 ARG B 78 4.256 3.455 5.795 1.00 1.00 H new ATOM 0 HD2 ARG B 78 5.767 3.548 7.566 1.00 1.54 H new ATOM 0 HD3 ARG B 78 7.163 3.660 6.512 1.00 1.54 H new ATOM 0 HE ARG B 78 5.485 6.089 6.538 1.00 2.22 H new ATOM 0 HH11 ARG B 78 7.691 4.333 8.608 1.00 4.16 H new ATOM 0 HH12 ARG B 78 8.676 5.742 9.016 1.00 4.16 H new ATOM 0 HH21 ARG B 78 7.019 7.906 6.757 1.00 3.88 H new ATOM 0 HH22 ARG B 78 8.296 7.763 7.970 1.00 3.88 H new ATOM 2906 N LEU B 79 6.130 -0.439 3.602 1.00 0.54 N ATOM 2907 CA LEU B 79 6.909 -1.484 2.963 1.00 0.49 C ATOM 2908 C LEU B 79 6.283 -1.915 1.642 1.00 0.51 C ATOM 2909 O LEU B 79 7.013 -2.160 0.687 1.00 0.61 O ATOM 2910 CB LEU B 79 7.025 -2.695 3.896 1.00 0.60 C ATOM 2911 CG LEU B 79 8.107 -3.683 3.425 1.00 0.63 C ATOM 2912 CD1 LEU B 79 9.496 -3.188 3.830 1.00 0.62 C ATOM 2913 CD2 LEU B 79 7.826 -5.083 3.986 1.00 0.87 C ATOM 0 H LEU B 79 5.867 -0.656 4.563 1.00 0.54 H new ATOM 0 HA LEU B 79 7.901 -1.083 2.756 1.00 0.49 H new ATOM 0 HB2 LEU B 79 7.259 -2.355 4.905 1.00 0.60 H new ATOM 0 HB3 LEU B 79 6.064 -3.207 3.947 1.00 0.60 H new ATOM 0 HG LEU B 79 8.081 -3.745 2.337 1.00 0.63 H new ATOM 0 HD11 LEU B 79 10.249 -3.898 3.489 1.00 0.62 H new ATOM 0 HD12 LEU B 79 9.683 -2.215 3.375 1.00 0.62 H new ATOM 0 HD13 LEU B 79 9.548 -3.097 4.915 1.00 0.62 H new ATOM 0 HD21 LEU B 79 8.598 -5.773 3.646 1.00 0.87 H new ATOM 0 HD22 LEU B 79 7.827 -5.045 5.075 1.00 0.87 H new ATOM 0 HD23 LEU B 79 6.853 -5.427 3.636 1.00 0.87 H new ATOM 2925 N ILE B 80 4.949 -2.012 1.572 1.00 0.57 N ATOM 2926 CA ILE B 80 4.262 -2.456 0.385 1.00 0.70 C ATOM 2927 C ILE B 80 4.522 -1.400 -0.695 1.00 0.91 C ATOM 2928 O ILE B 80 4.675 -1.727 -1.867 1.00 1.08 O ATOM 2929 CB ILE B 80 2.779 -2.725 0.714 1.00 0.78 C ATOM 2930 CG1 ILE B 80 2.648 -3.714 1.890 1.00 1.06 C ATOM 2931 CG2 ILE B 80 2.086 -3.334 -0.522 1.00 1.20 C ATOM 2932 CD1 ILE B 80 1.196 -3.880 2.341 1.00 1.36 C ATOM 0 H ILE B 80 4.328 -1.781 2.347 1.00 0.57 H new ATOM 0 HA ILE B 80 4.627 -3.408 0.001 1.00 0.70 H new ATOM 0 HB ILE B 80 2.311 -1.780 0.990 1.00 0.78 H new ATOM 0 HG12 ILE B 80 3.049 -4.684 1.594 1.00 1.06 H new ATOM 0 HG13 ILE B 80 3.250 -3.362 2.728 1.00 1.06 H new ATOM 0 HG21 ILE B 80 1.038 -3.526 -0.294 1.00 1.20 H new ATOM 0 HG22 ILE B 80 2.154 -2.637 -1.357 1.00 1.20 H new ATOM 0 HG23 ILE B 80 2.576 -4.270 -0.790 1.00 1.20 H new ATOM 0 HD11 ILE B 80 1.151 -4.585 3.171 1.00 1.36 H new ATOM 0 HD12 ILE B 80 0.802 -2.916 2.663 1.00 1.36 H new ATOM 0 HD13 ILE B 80 0.598 -4.258 1.511 1.00 1.36 H new ATOM 2944 N GLY B 81 4.648 -0.130 -0.292 1.00 1.03 N ATOM 2945 CA GLY B 81 4.869 0.985 -1.187 1.00 1.30 C ATOM 2946 C GLY B 81 6.239 0.909 -1.782 1.00 1.22 C ATOM 2947 O GLY B 81 6.441 1.119 -2.979 1.00 1.45 O ATOM 0 H GLY B 81 4.596 0.145 0.689 1.00 1.03 H new ATOM 0 HA2 GLY B 81 4.120 0.978 -1.979 1.00 1.30 H new ATOM 0 HA3 GLY B 81 4.752 1.924 -0.645 1.00 1.30 H new ATOM 2951 N GLU B 82 7.186 0.623 -0.903 1.00 0.96 N ATOM 2952 CA GLU B 82 8.559 0.523 -1.293 1.00 0.97 C ATOM 2953 C GLU B 82 8.669 -0.677 -2.210 1.00 1.04 C ATOM 2954 O GLU B 82 8.897 -0.473 -3.392 1.00 1.15 O ATOM 2955 CB GLU B 82 9.425 0.481 -0.043 1.00 0.80 C ATOM 2956 CG GLU B 82 9.109 1.721 0.820 1.00 0.78 C ATOM 2957 CD GLU B 82 10.166 2.807 0.671 1.00 1.18 C ATOM 2958 OE1 GLU B 82 11.358 2.507 0.884 1.00 1.98 O ATOM 2959 OE2 GLU B 82 9.764 3.907 0.228 1.00 2.18 O ATOM 0 H GLU B 82 7.014 0.457 0.089 1.00 0.96 H new ATOM 0 HA GLU B 82 8.923 1.384 -1.854 1.00 0.97 H new ATOM 0 HB2 GLU B 82 9.231 -0.431 0.521 1.00 0.80 H new ATOM 0 HB3 GLU B 82 10.480 0.469 -0.315 1.00 0.80 H new ATOM 0 HG2 GLU B 82 8.136 2.121 0.536 1.00 0.78 H new ATOM 0 HG3 GLU B 82 9.039 1.425 1.867 1.00 0.78 H new ATOM 2966 N LEU B 83 8.373 -1.891 -1.741 1.00 1.05 N ATOM 2967 CA LEU B 83 8.497 -3.073 -2.581 1.00 1.23 C ATOM 2968 C LEU B 83 7.713 -2.945 -3.890 1.00 1.31 C ATOM 2969 O LEU B 83 8.202 -3.378 -4.931 1.00 1.44 O ATOM 2970 CB LEU B 83 8.209 -4.361 -1.805 1.00 1.74 C ATOM 2971 CG LEU B 83 6.753 -4.568 -1.362 1.00 0.69 C ATOM 2972 CD1 LEU B 83 5.908 -5.325 -2.382 1.00 1.76 C ATOM 2973 CD2 LEU B 83 6.670 -5.362 -0.055 1.00 1.61 C ATOM 0 H LEU B 83 8.049 -2.076 -0.792 1.00 1.05 H new ATOM 0 HA LEU B 83 9.541 -3.145 -2.886 1.00 1.23 H new ATOM 0 HB2 LEU B 83 8.504 -5.208 -2.424 1.00 1.74 H new ATOM 0 HB3 LEU B 83 8.844 -4.378 -0.919 1.00 1.74 H new ATOM 0 HG LEU B 83 6.363 -3.557 -1.243 1.00 0.69 H new ATOM 0 HD11 LEU B 83 4.892 -5.435 -2.003 1.00 1.76 H new ATOM 0 HD12 LEU B 83 5.887 -4.771 -3.320 1.00 1.76 H new ATOM 0 HD13 LEU B 83 6.340 -6.311 -2.552 1.00 1.76 H new ATOM 0 HD21 LEU B 83 5.625 -5.489 0.228 1.00 1.61 H new ATOM 0 HD22 LEU B 83 7.130 -6.340 -0.194 1.00 1.61 H new ATOM 0 HD23 LEU B 83 7.196 -4.822 0.733 1.00 1.61 H new ATOM 2985 N ALA B 84 6.531 -2.317 -3.869 1.00 1.31 N ATOM 2986 CA ALA B 84 5.819 -2.039 -5.104 1.00 1.46 C ATOM 2987 C ALA B 84 6.675 -1.162 -6.009 1.00 1.51 C ATOM 2988 O ALA B 84 7.052 -1.572 -7.105 1.00 2.02 O ATOM 2989 CB ALA B 84 4.461 -1.380 -4.831 1.00 1.42 C ATOM 0 H ALA B 84 6.061 -2.000 -3.021 1.00 1.31 H new ATOM 0 HA ALA B 84 5.625 -2.985 -5.609 1.00 1.46 H new ATOM 0 HB1 ALA B 84 3.954 -1.185 -5.776 1.00 1.42 H new ATOM 0 HB2 ALA B 84 3.849 -2.046 -4.222 1.00 1.42 H new ATOM 0 HB3 ALA B 84 4.613 -0.440 -4.301 1.00 1.42 H new ATOM 2995 N LYS B 85 7.016 0.047 -5.553 1.00 1.11 N ATOM 2996 CA LYS B 85 7.707 0.980 -6.421 1.00 1.11 C ATOM 2997 C LYS B 85 9.115 0.492 -6.774 1.00 0.92 C ATOM 2998 O LYS B 85 9.616 0.888 -7.817 1.00 0.86 O ATOM 2999 CB LYS B 85 7.621 2.431 -5.916 1.00 1.26 C ATOM 3000 CG LYS B 85 8.788 2.882 -5.030 1.00 1.19 C ATOM 3001 CD LYS B 85 8.618 4.354 -4.613 1.00 1.27 C ATOM 3002 CE LYS B 85 8.167 4.561 -3.160 1.00 0.78 C ATOM 3003 NZ LYS B 85 9.198 4.125 -2.198 1.00 1.45 N ATOM 0 H LYS B 85 6.827 0.389 -4.611 1.00 1.11 H new ATOM 0 HA LYS B 85 7.178 1.006 -7.374 1.00 1.11 H new ATOM 0 HB2 LYS B 85 7.561 3.096 -6.778 1.00 1.26 H new ATOM 0 HB3 LYS B 85 6.693 2.550 -5.356 1.00 1.26 H new ATOM 0 HG2 LYS B 85 8.842 2.251 -4.143 1.00 1.19 H new ATOM 0 HG3 LYS B 85 9.728 2.757 -5.567 1.00 1.19 H new ATOM 0 HD2 LYS B 85 9.566 4.872 -4.762 1.00 1.27 H new ATOM 0 HD3 LYS B 85 7.891 4.823 -5.275 1.00 1.27 H new ATOM 0 HE2 LYS B 85 7.940 5.614 -2.997 1.00 0.78 H new ATOM 0 HE3 LYS B 85 7.246 4.005 -2.983 1.00 0.78 H new ATOM 0 HZ1 LYS B 85 8.753 3.925 -1.279 1.00 1.45 H new ATOM 0 HZ2 LYS B 85 9.662 3.265 -2.553 1.00 1.45 H new ATOM 0 HZ3 LYS B 85 9.906 4.878 -2.083 1.00 1.45 H new ATOM 3017 N GLU B 86 9.743 -0.371 -5.964 1.00 0.95 N ATOM 3018 CA GLU B 86 11.027 -1.024 -6.231 1.00 1.02 C ATOM 3019 C GLU B 86 11.027 -1.736 -7.582 1.00 1.03 C ATOM 3020 O GLU B 86 12.090 -1.893 -8.177 1.00 1.25 O ATOM 3021 CB GLU B 86 11.398 -2.005 -5.107 1.00 1.08 C ATOM 3022 CG GLU B 86 11.780 -1.279 -3.807 1.00 1.15 C ATOM 3023 CD GLU B 86 13.207 -0.771 -3.800 1.00 2.01 C ATOM 3024 OE1 GLU B 86 14.123 -1.615 -3.884 1.00 3.08 O ATOM 3025 OE2 GLU B 86 13.371 0.467 -3.731 1.00 2.31 O ATOM 0 H GLU B 86 9.349 -0.644 -5.063 1.00 0.95 H new ATOM 0 HA GLU B 86 11.783 -0.240 -6.265 1.00 1.02 H new ATOM 0 HB2 GLU B 86 10.557 -2.671 -4.916 1.00 1.08 H new ATOM 0 HB3 GLU B 86 12.231 -2.629 -5.431 1.00 1.08 H new ATOM 0 HG2 GLU B 86 11.102 -0.439 -3.656 1.00 1.15 H new ATOM 0 HG3 GLU B 86 11.639 -1.957 -2.966 1.00 1.15 H new ATOM 3032 N ILE B 87 9.861 -2.148 -8.091 1.00 0.86 N ATOM 3033 CA ILE B 87 9.790 -2.687 -9.437 1.00 0.87 C ATOM 3034 C ILE B 87 10.276 -1.640 -10.464 1.00 0.88 C ATOM 3035 O ILE B 87 10.933 -1.987 -11.442 1.00 1.01 O ATOM 3036 CB ILE B 87 8.371 -3.254 -9.669 1.00 0.89 C ATOM 3037 CG1 ILE B 87 8.418 -4.439 -10.652 1.00 1.01 C ATOM 3038 CG2 ILE B 87 7.385 -2.187 -10.169 1.00 0.96 C ATOM 3039 CD1 ILE B 87 7.218 -5.363 -10.444 1.00 0.85 C ATOM 0 H ILE B 87 8.971 -2.116 -7.594 1.00 0.86 H new ATOM 0 HA ILE B 87 10.472 -3.526 -9.575 1.00 0.87 H new ATOM 0 HB ILE B 87 8.006 -3.601 -8.702 1.00 0.89 H new ATOM 0 HG12 ILE B 87 8.424 -4.068 -11.677 1.00 1.01 H new ATOM 0 HG13 ILE B 87 9.343 -4.999 -10.511 1.00 1.01 H new ATOM 0 HG21 ILE B 87 6.404 -2.639 -10.316 1.00 0.96 H new ATOM 0 HG22 ILE B 87 7.310 -1.387 -9.432 1.00 0.96 H new ATOM 0 HG23 ILE B 87 7.741 -1.777 -11.114 1.00 0.96 H new ATOM 0 HD11 ILE B 87 7.271 -6.193 -11.149 1.00 0.85 H new ATOM 0 HD12 ILE B 87 7.229 -5.751 -9.425 1.00 0.85 H new ATOM 0 HD13 ILE B 87 6.296 -4.805 -10.610 1.00 0.85 H new ATOM 3051 N ARG B 88 9.976 -0.355 -10.227 1.00 0.86 N ATOM 3052 CA ARG B 88 10.518 0.797 -10.947 1.00 1.03 C ATOM 3053 C ARG B 88 11.897 1.222 -10.403 1.00 1.17 C ATOM 3054 O ARG B 88 12.800 1.552 -11.168 1.00 1.48 O ATOM 3055 CB ARG B 88 9.518 1.966 -10.848 1.00 1.13 C ATOM 3056 CG ARG B 88 9.789 3.090 -11.863 1.00 1.74 C ATOM 3057 CD ARG B 88 9.210 4.421 -11.350 1.00 1.95 C ATOM 3058 NE ARG B 88 9.253 5.500 -12.356 1.00 2.19 N ATOM 3059 CZ ARG B 88 10.356 6.152 -12.764 1.00 2.90 C ATOM 3060 NH1 ARG B 88 11.550 5.817 -12.259 1.00 4.03 N ATOM 3061 NH2 ARG B 88 10.271 7.129 -13.673 1.00 3.35 N ATOM 0 H ARG B 88 9.320 -0.083 -9.495 1.00 0.86 H new ATOM 0 HA ARG B 88 10.661 0.514 -11.990 1.00 1.03 H new ATOM 0 HB2 ARG B 88 8.508 1.585 -11.001 1.00 1.13 H new ATOM 0 HB3 ARG B 88 9.553 2.380 -9.840 1.00 1.13 H new ATOM 0 HG2 ARG B 88 10.862 3.191 -12.027 1.00 1.74 H new ATOM 0 HG3 ARG B 88 9.342 2.837 -12.824 1.00 1.74 H new ATOM 0 HD2 ARG B 88 8.177 4.264 -11.039 1.00 1.95 H new ATOM 0 HD3 ARG B 88 9.765 4.735 -10.466 1.00 1.95 H new ATOM 0 HE ARG B 88 8.367 5.776 -12.780 1.00 2.19 H new ATOM 0 HH11 ARG B 88 11.620 5.070 -11.568 1.00 4.03 H new ATOM 0 HH12 ARG B 88 12.389 6.309 -12.565 1.00 4.03 H new ATOM 0 HH21 ARG B 88 9.364 7.385 -14.063 1.00 3.35 H new ATOM 0 HH22 ARG B 88 11.113 7.618 -13.976 1.00 3.35 H new ATOM 3075 N LYS B 89 12.003 1.348 -9.076 1.00 1.11 N ATOM 3076 CA LYS B 89 13.018 2.116 -8.369 1.00 1.29 C ATOM 3077 C LYS B 89 14.297 1.300 -8.132 1.00 1.43 C ATOM 3078 O LYS B 89 14.274 0.226 -7.532 1.00 1.93 O ATOM 3079 CB LYS B 89 12.383 2.630 -7.065 1.00 1.53 C ATOM 3080 CG LYS B 89 13.372 3.167 -6.027 1.00 2.73 C ATOM 3081 CD LYS B 89 12.605 3.556 -4.756 1.00 3.22 C ATOM 3082 CE LYS B 89 13.535 3.907 -3.588 1.00 4.79 C ATOM 3083 NZ LYS B 89 14.334 2.744 -3.148 1.00 6.51 N ATOM 0 H LYS B 89 11.348 0.893 -8.440 1.00 1.11 H new ATOM 0 HA LYS B 89 13.342 2.964 -8.973 1.00 1.29 H new ATOM 0 HB2 LYS B 89 11.674 3.421 -7.312 1.00 1.53 H new ATOM 0 HB3 LYS B 89 11.811 1.819 -6.614 1.00 1.53 H new ATOM 0 HG2 LYS B 89 14.123 2.411 -5.797 1.00 2.73 H new ATOM 0 HG3 LYS B 89 13.903 4.032 -6.425 1.00 2.73 H new ATOM 0 HD2 LYS B 89 11.961 4.409 -4.972 1.00 3.22 H new ATOM 0 HD3 LYS B 89 11.955 2.732 -4.462 1.00 3.22 H new ATOM 0 HE2 LYS B 89 14.204 4.714 -3.887 1.00 4.79 H new ATOM 0 HE3 LYS B 89 12.943 4.277 -2.751 1.00 4.79 H new ATOM 0 HZ1 LYS B 89 14.256 2.639 -2.116 1.00 6.51 H new ATOM 0 HZ2 LYS B 89 13.979 1.883 -3.611 1.00 6.51 H new ATOM 0 HZ3 LYS B 89 15.331 2.890 -3.406 1.00 6.51 H new