USER MOD reduce.3.24.130724 H: found=0, std=0, add=1443, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1445 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 36 ASN :FLIP amide:sc= -0.125 F(o=-1.5,f=-0.6) USER MOD Set 1.2: B 67 GLN : amide:sc= -0.477 X(o=-0.6,f=-0.65!) USER MOD Set 2.1: A 55 SER OG : rot -10:sc= 0.976 USER MOD Set 2.2: A 85 LYS NZ :NH3+ -165:sc= 1.24 (180deg=0) USER MOD Set 3.1: A 36 ASN : amide:sc= 0.296 K(o=1.4,f=0.25) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.08 K(o=1.4,f=-1.4) USER MOD Single : A 7 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 12 SER OG : rot 170:sc= 0 USER MOD Single : A 15 THR OG1 : rot 71:sc= 0.171 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 68:sc= 0.911 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 83:sc= 0.526! USER MOD Single : A 34 SER OG : rot -55:sc= 1.3 USER MOD Single : A 39 LYS NZ :NH3+ 143:sc= 1.15 (180deg=0.63) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0188 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 45 GLN : amide:sc= -0.588 K(o=-0.59,f=-3.3!) USER MOD Single : A 48 HIS : no HE2:sc= -0.691 K(o=-0.69,f=-3.9!) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= -0.171 (180deg=-0.243) USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 0.606 (180deg=-3.57!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 131:sc= 2.25 (180deg=1.36) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.2) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= 0.0455 (180deg=0.0454) USER MOD Single : A 74 ASN : amide:sc= 1.07 K(o=1.1,f=-2.3) USER MOD Single : A 76 TYR OH : rot 120:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -151:sc= 1.75 (180deg=-0.0343!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 173:sc= 0.358 (180deg=0.0913) USER MOD Single : A 94 LYS NZ :NH3+ -164:sc= -0.179! (180deg=-1.99!) USER MOD Single : B 7 THR OG1 : rot 43:sc= 1.09 USER MOD Single : B 12 SER OG : rot 160:sc= 0 USER MOD Single : B 15 THR OG1 : rot 73:sc= 1.07 USER MOD Single : B 18 THR OG1 : rot 84:sc= 0.868 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 44:sc= 0.572 USER MOD Single : B 30 LYS NZ :NH3+ 170:sc= 3.4 (180deg=2.86) USER MOD Single : B 32 SER OG : rot 180:sc= 0.434 USER MOD Single : B 34 SER OG : rot -63:sc= 0.85 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot -25:sc= -0.0462 USER MOD Single : B 44 GLN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : B 45 GLN : amide:sc=-0.000163 X(o=-0.00016,f=-0.13) USER MOD Single : B 48 HIS : no HD1:sc= -0.0326 K(o=-0.033,f=-2.1) USER MOD Single : B 51 LYS NZ :NH3+ -154:sc= -0.0614 (180deg=-1.02) USER MOD Single : B 55 SER OG : rot 180:sc= 0.0811 USER MOD Single : B 59 LYS NZ :NH3+ -170:sc= 1.17 (180deg=1.15) USER MOD Single : B 60 MET CE :methyl 174:sc= 0 (180deg=-0.0332) USER MOD Single : B 61 LYS NZ :NH3+ -166:sc= -0.408 (180deg=-2.9!) USER MOD Single : B 62 SER OG : rot 78:sc= 1.24 USER MOD Single : B 66 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : B 69 SER OG : rot 180:sc= -0.221 USER MOD Single : B 72 LYS NZ :NH3+ 179:sc= 1.12 (180deg=1.06) USER MOD Single : B 74 ASN : amide:sc= 1.16 K(o=1.2,f=-0.071) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 LYS NZ :NH3+ 151:sc= 1.22 (180deg=1.09) USER MOD Single : B 89 LYS NZ :NH3+ -172:sc= -0.227 (180deg=-0.426) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 LYS NZ :NH3+ 133:sc= -0.237 (180deg=-1.67!) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -13.792 -14.375 7.950 1.00 1.76 N ATOM 41 CA GLU A 4 -14.547 -13.232 7.455 1.00 1.57 C ATOM 42 C GLU A 4 -14.420 -13.240 5.926 1.00 1.42 C ATOM 43 O GLU A 4 -13.595 -13.989 5.400 1.00 1.49 O ATOM 44 CB GLU A 4 -13.989 -11.954 8.095 1.00 1.50 C ATOM 45 CG GLU A 4 -13.069 -12.199 9.298 1.00 2.54 C ATOM 46 CD GLU A 4 -13.769 -12.824 10.505 1.00 4.30 C ATOM 47 OE1 GLU A 4 -15.010 -12.730 10.626 1.00 5.35 O ATOM 48 OE2 GLU A 4 -13.032 -13.423 11.321 1.00 5.26 O ATOM 0 HA GLU A 4 -15.604 -13.279 7.717 1.00 1.57 H new ATOM 0 HB2 GLU A 4 -13.438 -11.394 7.339 1.00 1.50 H new ATOM 0 HB3 GLU A 4 -14.822 -11.327 8.412 1.00 1.50 H new ATOM 0 HG2 GLU A 4 -12.251 -12.850 8.989 1.00 2.54 H new ATOM 0 HG3 GLU A 4 -12.625 -11.251 9.601 1.00 2.54 H new ATOM 55 N PRO A 5 -15.194 -12.433 5.186 1.00 1.37 N ATOM 56 CA PRO A 5 -15.188 -12.458 3.734 1.00 1.40 C ATOM 57 C PRO A 5 -13.987 -11.669 3.201 1.00 1.45 C ATOM 58 O PRO A 5 -14.162 -10.719 2.448 1.00 1.58 O ATOM 59 CB PRO A 5 -16.533 -11.834 3.342 1.00 1.54 C ATOM 60 CG PRO A 5 -16.736 -10.781 4.430 1.00 1.64 C ATOM 61 CD PRO A 5 -16.142 -11.447 5.675 1.00 1.43 C ATOM 0 HA PRO A 5 -15.084 -13.458 3.312 1.00 1.40 H new ATOM 0 HB2 PRO A 5 -16.500 -11.389 2.347 1.00 1.54 H new ATOM 0 HB3 PRO A 5 -17.336 -12.571 3.335 1.00 1.54 H new ATOM 0 HG2 PRO A 5 -16.225 -9.849 4.189 1.00 1.64 H new ATOM 0 HG3 PRO A 5 -17.790 -10.540 4.566 1.00 1.64 H new ATOM 0 HD2 PRO A 5 -15.648 -10.713 6.312 1.00 1.43 H new ATOM 0 HD3 PRO A 5 -16.921 -11.918 6.275 1.00 1.43 H new ATOM 69 N LEU A 6 -12.771 -12.077 3.577 1.00 1.48 N ATOM 70 CA LEU A 6 -11.558 -11.320 3.292 1.00 1.57 C ATOM 71 C LEU A 6 -11.098 -11.561 1.851 1.00 1.43 C ATOM 72 O LEU A 6 -10.671 -12.659 1.498 1.00 2.01 O ATOM 73 CB LEU A 6 -10.441 -11.740 4.258 1.00 2.02 C ATOM 74 CG LEU A 6 -10.726 -11.439 5.736 1.00 1.70 C ATOM 75 CD1 LEU A 6 -9.628 -12.091 6.584 1.00 2.81 C ATOM 76 CD2 LEU A 6 -10.761 -9.929 6.008 1.00 2.64 C ATOM 0 H LEU A 6 -12.605 -12.944 4.088 1.00 1.48 H new ATOM 0 HA LEU A 6 -11.777 -10.260 3.422 1.00 1.57 H new ATOM 0 HB2 LEU A 6 -10.266 -12.810 4.146 1.00 2.02 H new ATOM 0 HB3 LEU A 6 -9.520 -11.234 3.969 1.00 2.02 H new ATOM 0 HG LEU A 6 -11.705 -11.843 5.995 1.00 1.70 H new ATOM 0 HD11 LEU A 6 -9.814 -11.888 7.639 1.00 2.81 H new ATOM 0 HD12 LEU A 6 -9.630 -13.168 6.416 1.00 2.81 H new ATOM 0 HD13 LEU A 6 -8.658 -11.682 6.301 1.00 2.81 H new ATOM 0 HD21 LEU A 6 -10.965 -9.754 7.064 1.00 2.64 H new ATOM 0 HD22 LEU A 6 -9.798 -9.490 5.747 1.00 2.64 H new ATOM 0 HD23 LEU A 6 -11.545 -9.469 5.406 1.00 2.64 H new ATOM 88 N THR A 7 -11.196 -10.521 1.027 1.00 0.97 N ATOM 89 CA THR A 7 -10.785 -10.484 -0.368 1.00 0.83 C ATOM 90 C THR A 7 -9.289 -10.138 -0.476 1.00 0.82 C ATOM 91 O THR A 7 -8.715 -9.544 0.437 1.00 0.93 O ATOM 92 CB THR A 7 -11.668 -9.449 -1.099 1.00 0.87 C ATOM 93 OG1 THR A 7 -12.972 -9.389 -0.547 1.00 1.31 O ATOM 94 CG2 THR A 7 -11.806 -9.789 -2.585 1.00 1.18 C ATOM 0 H THR A 7 -11.588 -9.631 1.336 1.00 0.97 H new ATOM 0 HA THR A 7 -10.917 -11.460 -0.834 1.00 0.83 H new ATOM 0 HB THR A 7 -11.171 -8.486 -0.977 1.00 0.87 H new ATOM 0 HG1 THR A 7 -12.980 -8.762 0.206 1.00 1.31 H new ATOM 0 HG21 THR A 7 -12.433 -9.042 -3.072 1.00 1.18 H new ATOM 0 HG22 THR A 7 -10.820 -9.794 -3.050 1.00 1.18 H new ATOM 0 HG23 THR A 7 -12.263 -10.773 -2.692 1.00 1.18 H new ATOM 102 N GLU A 8 -8.645 -10.462 -1.600 1.00 0.81 N ATOM 103 CA GLU A 8 -7.216 -10.251 -1.805 1.00 0.82 C ATOM 104 C GLU A 8 -6.816 -8.795 -1.533 1.00 0.77 C ATOM 105 O GLU A 8 -5.819 -8.518 -0.865 1.00 0.78 O ATOM 106 CB GLU A 8 -6.825 -10.647 -3.240 1.00 0.94 C ATOM 107 CG GLU A 8 -7.193 -12.096 -3.606 1.00 1.10 C ATOM 108 CD GLU A 8 -8.535 -12.231 -4.321 1.00 1.69 C ATOM 109 OE1 GLU A 8 -9.487 -11.547 -3.884 1.00 2.52 O ATOM 110 OE2 GLU A 8 -8.584 -13.009 -5.295 1.00 2.53 O ATOM 0 H GLU A 8 -9.111 -10.884 -2.403 1.00 0.81 H new ATOM 0 HA GLU A 8 -6.680 -10.882 -1.096 1.00 0.82 H new ATOM 0 HB2 GLU A 8 -7.314 -9.970 -3.940 1.00 0.94 H new ATOM 0 HB3 GLU A 8 -5.751 -10.512 -3.364 1.00 0.94 H new ATOM 0 HG2 GLU A 8 -6.410 -12.510 -4.242 1.00 1.10 H new ATOM 0 HG3 GLU A 8 -7.215 -12.696 -2.696 1.00 1.10 H new ATOM 117 N LEU A 9 -7.597 -7.857 -2.081 1.00 0.77 N ATOM 118 CA LEU A 9 -7.333 -6.431 -1.949 1.00 0.76 C ATOM 119 C LEU A 9 -7.235 -6.062 -0.469 1.00 0.75 C ATOM 120 O LEU A 9 -6.189 -5.589 -0.020 1.00 0.82 O ATOM 121 CB LEU A 9 -8.426 -5.624 -2.675 1.00 0.83 C ATOM 122 CG LEU A 9 -8.005 -5.226 -4.098 1.00 0.72 C ATOM 123 CD1 LEU A 9 -7.877 -6.449 -5.011 1.00 2.02 C ATOM 124 CD2 LEU A 9 -8.894 -4.174 -4.764 1.00 2.12 C ATOM 0 H LEU A 9 -8.430 -8.072 -2.629 1.00 0.77 H new ATOM 0 HA LEU A 9 -6.380 -6.184 -2.417 1.00 0.76 H new ATOM 0 HB2 LEU A 9 -9.341 -6.214 -2.720 1.00 0.83 H new ATOM 0 HB3 LEU A 9 -8.654 -4.726 -2.101 1.00 0.83 H new ATOM 0 HG LEU A 9 -7.030 -4.758 -3.965 1.00 0.72 H new ATOM 0 HD11 LEU A 9 -7.578 -6.128 -6.009 1.00 2.02 H new ATOM 0 HD12 LEU A 9 -7.125 -7.127 -4.607 1.00 2.02 H new ATOM 0 HD13 LEU A 9 -8.837 -6.963 -5.068 1.00 2.02 H new ATOM 0 HD21 LEU A 9 -8.517 -3.959 -5.764 1.00 2.12 H new ATOM 0 HD22 LEU A 9 -9.914 -4.551 -4.834 1.00 2.12 H new ATOM 0 HD23 LEU A 9 -8.885 -3.261 -4.169 1.00 2.12 H new ATOM 136 N GLU A 10 -8.312 -6.298 0.287 1.00 0.71 N ATOM 137 CA GLU A 10 -8.306 -6.049 1.722 1.00 0.74 C ATOM 138 C GLU A 10 -7.147 -6.783 2.396 1.00 0.71 C ATOM 139 O GLU A 10 -6.302 -6.116 2.986 1.00 0.83 O ATOM 140 CB GLU A 10 -9.674 -6.269 2.377 1.00 0.85 C ATOM 141 CG GLU A 10 -10.307 -7.636 2.146 1.00 2.17 C ATOM 142 CD GLU A 10 -11.757 -7.656 2.595 1.00 3.11 C ATOM 143 OE1 GLU A 10 -12.051 -7.043 3.644 1.00 3.02 O ATOM 144 OE2 GLU A 10 -12.537 -8.311 1.869 1.00 4.81 O ATOM 0 H GLU A 10 -9.194 -6.660 -0.075 1.00 0.71 H new ATOM 0 HA GLU A 10 -8.121 -4.986 1.878 1.00 0.74 H new ATOM 0 HB2 GLU A 10 -9.571 -6.114 3.451 1.00 0.85 H new ATOM 0 HB3 GLU A 10 -10.359 -5.505 2.009 1.00 0.85 H new ATOM 0 HG2 GLU A 10 -10.248 -7.892 1.088 1.00 2.17 H new ATOM 0 HG3 GLU A 10 -9.745 -8.396 2.690 1.00 2.17 H new ATOM 151 N GLU A 11 -7.033 -8.110 2.255 1.00 0.72 N ATOM 152 CA GLU A 11 -5.931 -8.866 2.852 1.00 0.74 C ATOM 153 C GLU A 11 -4.582 -8.169 2.655 1.00 0.70 C ATOM 154 O GLU A 11 -3.771 -8.103 3.580 1.00 0.73 O ATOM 155 CB GLU A 11 -5.853 -10.289 2.285 1.00 0.86 C ATOM 156 CG GLU A 11 -6.974 -11.196 2.799 1.00 1.94 C ATOM 157 CD GLU A 11 -6.703 -12.657 2.460 1.00 2.66 C ATOM 158 OE1 GLU A 11 -6.222 -12.899 1.331 1.00 3.00 O ATOM 159 OE2 GLU A 11 -6.945 -13.498 3.352 1.00 3.69 O ATOM 0 H GLU A 11 -7.695 -8.682 1.730 1.00 0.72 H new ATOM 0 HA GLU A 11 -6.142 -8.918 3.920 1.00 0.74 H new ATOM 0 HB2 GLU A 11 -5.898 -10.244 1.197 1.00 0.86 H new ATOM 0 HB3 GLU A 11 -4.889 -10.727 2.546 1.00 0.86 H new ATOM 0 HG2 GLU A 11 -7.070 -11.083 3.879 1.00 1.94 H new ATOM 0 HG3 GLU A 11 -7.923 -10.889 2.360 1.00 1.94 H new ATOM 166 N SER A 12 -4.339 -7.619 1.461 1.00 0.74 N ATOM 167 CA SER A 12 -3.060 -7.002 1.174 1.00 0.81 C ATOM 168 C SER A 12 -2.830 -5.798 2.083 1.00 0.80 C ATOM 169 O SER A 12 -1.748 -5.604 2.642 1.00 0.91 O ATOM 170 CB SER A 12 -3.011 -6.607 -0.307 1.00 0.93 C ATOM 171 OG SER A 12 -1.698 -6.240 -0.682 1.00 1.49 O ATOM 0 H SER A 12 -5.009 -7.593 0.692 1.00 0.74 H new ATOM 0 HA SER A 12 -2.258 -7.713 1.371 1.00 0.81 H new ATOM 0 HB2 SER A 12 -3.351 -7.440 -0.922 1.00 0.93 H new ATOM 0 HB3 SER A 12 -3.693 -5.776 -0.490 1.00 0.93 H new ATOM 0 HG SER A 12 -1.650 -6.147 -1.656 1.00 1.49 H new ATOM 177 N ILE A 13 -3.882 -5.001 2.245 1.00 0.74 N ATOM 178 CA ILE A 13 -3.877 -3.845 3.116 1.00 0.74 C ATOM 179 C ILE A 13 -3.650 -4.319 4.553 1.00 0.80 C ATOM 180 O ILE A 13 -2.836 -3.740 5.276 1.00 0.83 O ATOM 181 CB ILE A 13 -5.193 -3.074 2.902 1.00 0.70 C ATOM 182 CG1 ILE A 13 -5.197 -2.502 1.477 1.00 0.81 C ATOM 183 CG2 ILE A 13 -5.487 -1.949 3.903 1.00 0.67 C ATOM 184 CD1 ILE A 13 -6.607 -2.351 0.951 1.00 0.61 C ATOM 0 H ILE A 13 -4.770 -5.147 1.766 1.00 0.74 H new ATOM 0 HA ILE A 13 -3.067 -3.151 2.890 1.00 0.74 H new ATOM 0 HB ILE A 13 -5.987 -3.802 3.066 1.00 0.70 H new ATOM 0 HG12 ILE A 13 -4.698 -1.533 1.470 1.00 0.81 H new ATOM 0 HG13 ILE A 13 -4.629 -3.158 0.818 1.00 0.81 H new ATOM 0 HG21 ILE A 13 -6.438 -1.479 3.653 1.00 0.67 H new ATOM 0 HG22 ILE A 13 -5.541 -2.363 4.910 1.00 0.67 H new ATOM 0 HG23 ILE A 13 -4.691 -1.205 3.858 1.00 0.67 H new ATOM 0 HD11 ILE A 13 -6.577 -1.944 -0.060 1.00 0.61 H new ATOM 0 HD12 ILE A 13 -7.096 -3.325 0.935 1.00 0.61 H new ATOM 0 HD13 ILE A 13 -7.166 -1.675 1.598 1.00 0.61 H new ATOM 196 N GLU A 14 -4.336 -5.391 4.955 1.00 0.89 N ATOM 197 CA GLU A 14 -4.196 -5.960 6.287 1.00 0.99 C ATOM 198 C GLU A 14 -2.769 -6.396 6.587 1.00 1.03 C ATOM 199 O GLU A 14 -2.283 -6.189 7.696 1.00 1.07 O ATOM 200 CB GLU A 14 -5.232 -7.048 6.558 1.00 1.04 C ATOM 201 CG GLU A 14 -6.644 -6.533 6.251 1.00 1.61 C ATOM 202 CD GLU A 14 -6.889 -5.097 6.721 1.00 3.71 C ATOM 203 OE1 GLU A 14 -6.635 -4.795 7.910 1.00 4.08 O ATOM 204 OE2 GLU A 14 -7.268 -4.228 5.905 1.00 5.37 O ATOM 0 H GLU A 14 -5.003 -5.885 4.362 1.00 0.89 H new ATOM 0 HA GLU A 14 -4.410 -5.161 6.997 1.00 0.99 H new ATOM 0 HB2 GLU A 14 -5.017 -7.924 5.946 1.00 1.04 H new ATOM 0 HB3 GLU A 14 -5.172 -7.364 7.599 1.00 1.04 H new ATOM 0 HG2 GLU A 14 -6.816 -6.589 5.176 1.00 1.61 H new ATOM 0 HG3 GLU A 14 -7.373 -7.191 6.725 1.00 1.61 H new ATOM 211 N THR A 15 -2.074 -6.951 5.601 1.00 1.04 N ATOM 212 CA THR A 15 -0.663 -7.271 5.755 1.00 1.05 C ATOM 213 C THR A 15 0.118 -6.006 6.124 1.00 0.93 C ATOM 214 O THR A 15 0.871 -6.010 7.097 1.00 0.95 O ATOM 215 CB THR A 15 -0.099 -7.965 4.514 1.00 1.14 C ATOM 216 OG1 THR A 15 -0.873 -9.113 4.239 1.00 1.30 O ATOM 217 CG2 THR A 15 1.354 -8.395 4.760 1.00 1.17 C ATOM 0 H THR A 15 -2.465 -7.188 4.689 1.00 1.04 H new ATOM 0 HA THR A 15 -0.553 -7.985 6.571 1.00 1.05 H new ATOM 0 HB THR A 15 -0.131 -7.272 3.673 1.00 1.14 H new ATOM 0 HG1 THR A 15 -1.754 -8.842 3.905 1.00 1.30 H new ATOM 0 HG21 THR A 15 1.743 -8.888 3.869 1.00 1.17 H new ATOM 0 HG22 THR A 15 1.960 -7.517 4.984 1.00 1.17 H new ATOM 0 HG23 THR A 15 1.391 -9.086 5.602 1.00 1.17 H new ATOM 225 N VAL A 16 -0.067 -4.903 5.393 1.00 0.82 N ATOM 226 CA VAL A 16 0.623 -3.676 5.740 1.00 0.73 C ATOM 227 C VAL A 16 0.258 -3.255 7.166 1.00 0.70 C ATOM 228 O VAL A 16 1.141 -3.086 8.006 1.00 0.70 O ATOM 229 CB VAL A 16 0.303 -2.565 4.734 1.00 0.69 C ATOM 230 CG1 VAL A 16 0.924 -1.271 5.252 1.00 0.69 C ATOM 231 CG2 VAL A 16 0.846 -2.881 3.338 1.00 0.72 C ATOM 0 H VAL A 16 -0.676 -4.842 4.577 1.00 0.82 H new ATOM 0 HA VAL A 16 1.697 -3.855 5.698 1.00 0.73 H new ATOM 0 HB VAL A 16 -0.779 -2.472 4.640 1.00 0.69 H new ATOM 0 HG11 VAL A 16 0.712 -0.461 4.554 1.00 0.69 H new ATOM 0 HG12 VAL A 16 0.502 -1.030 6.227 1.00 0.69 H new ATOM 0 HG13 VAL A 16 2.003 -1.397 5.345 1.00 0.69 H new ATOM 0 HG21 VAL A 16 0.596 -2.067 2.658 1.00 0.72 H new ATOM 0 HG22 VAL A 16 1.929 -2.995 3.386 1.00 0.72 H new ATOM 0 HG23 VAL A 16 0.400 -3.807 2.975 1.00 0.72 H new ATOM 241 N VAL A 17 -1.033 -3.047 7.442 1.00 0.71 N ATOM 242 CA VAL A 17 -1.413 -2.503 8.739 1.00 0.73 C ATOM 243 C VAL A 17 -0.951 -3.408 9.887 1.00 0.78 C ATOM 244 O VAL A 17 -0.469 -2.907 10.903 1.00 0.85 O ATOM 245 CB VAL A 17 -2.898 -2.110 8.832 1.00 0.74 C ATOM 246 CG1 VAL A 17 -3.194 -0.894 7.944 1.00 0.61 C ATOM 247 CG2 VAL A 17 -3.854 -3.245 8.469 1.00 0.85 C ATOM 0 H VAL A 17 -1.806 -3.241 6.806 1.00 0.71 H new ATOM 0 HA VAL A 17 -0.877 -1.560 8.847 1.00 0.73 H new ATOM 0 HB VAL A 17 -3.073 -1.864 9.879 1.00 0.74 H new ATOM 0 HG11 VAL A 17 -4.249 -0.633 8.025 1.00 0.61 H new ATOM 0 HG12 VAL A 17 -2.586 -0.050 8.268 1.00 0.61 H new ATOM 0 HG13 VAL A 17 -2.958 -1.134 6.907 1.00 0.61 H new ATOM 0 HG21 VAL A 17 -4.883 -2.896 8.557 1.00 0.85 H new ATOM 0 HG22 VAL A 17 -3.666 -3.566 7.444 1.00 0.85 H new ATOM 0 HG23 VAL A 17 -3.696 -4.084 9.147 1.00 0.85 H new ATOM 257 N THR A 18 -1.061 -4.731 9.729 1.00 0.79 N ATOM 258 CA THR A 18 -0.618 -5.658 10.756 1.00 0.84 C ATOM 259 C THR A 18 0.899 -5.578 10.914 1.00 0.80 C ATOM 260 O THR A 18 1.377 -5.610 12.043 1.00 0.82 O ATOM 261 CB THR A 18 -1.141 -7.089 10.529 1.00 0.91 C ATOM 262 OG1 THR A 18 -1.314 -7.727 11.778 1.00 1.42 O ATOM 263 CG2 THR A 18 -0.210 -7.957 9.678 1.00 1.16 C ATOM 0 H THR A 18 -1.453 -5.176 8.899 1.00 0.79 H new ATOM 0 HA THR A 18 -1.059 -5.356 11.706 1.00 0.84 H new ATOM 0 HB THR A 18 -2.081 -6.987 9.987 1.00 0.91 H new ATOM 0 HG1 THR A 18 -1.648 -8.637 11.637 1.00 1.42 H new ATOM 0 HG21 THR A 18 -0.644 -8.950 9.561 1.00 1.16 H new ATOM 0 HG22 THR A 18 -0.082 -7.499 8.697 1.00 1.16 H new ATOM 0 HG23 THR A 18 0.760 -8.040 10.169 1.00 1.16 H new ATOM 271 N THR A 19 1.670 -5.438 9.826 1.00 0.79 N ATOM 272 CA THR A 19 3.126 -5.353 9.927 1.00 0.79 C ATOM 273 C THR A 19 3.568 -4.300 10.949 1.00 0.73 C ATOM 274 O THR A 19 4.475 -4.565 11.735 1.00 0.88 O ATOM 275 CB THR A 19 3.741 -5.123 8.543 1.00 0.90 C ATOM 276 OG1 THR A 19 3.501 -6.265 7.754 1.00 1.36 O ATOM 277 CG2 THR A 19 5.255 -4.888 8.600 1.00 1.07 C ATOM 0 H THR A 19 1.309 -5.382 8.874 1.00 0.79 H new ATOM 0 HA THR A 19 3.500 -6.306 10.301 1.00 0.79 H new ATOM 0 HB THR A 19 3.281 -4.229 8.122 1.00 0.90 H new ATOM 0 HG1 THR A 19 2.542 -6.339 7.569 1.00 1.36 H new ATOM 0 HG21 THR A 19 5.637 -4.731 7.591 1.00 1.07 H new ATOM 0 HG22 THR A 19 5.464 -4.008 9.208 1.00 1.07 H new ATOM 0 HG23 THR A 19 5.742 -5.758 9.041 1.00 1.07 H new ATOM 285 N PHE A 20 2.924 -3.128 10.998 1.00 0.68 N ATOM 286 CA PHE A 20 3.261 -2.131 12.016 1.00 0.76 C ATOM 287 C PHE A 20 3.204 -2.687 13.450 1.00 0.88 C ATOM 288 O PHE A 20 3.975 -2.251 14.303 1.00 1.00 O ATOM 289 CB PHE A 20 2.367 -0.894 11.878 1.00 0.78 C ATOM 290 CG PHE A 20 2.455 -0.208 10.528 1.00 0.72 C ATOM 291 CD1 PHE A 20 3.690 0.268 10.051 1.00 1.64 C ATOM 292 CD2 PHE A 20 1.296 -0.027 9.755 1.00 1.53 C ATOM 293 CE1 PHE A 20 3.763 0.917 8.808 1.00 1.59 C ATOM 294 CE2 PHE A 20 1.385 0.543 8.474 1.00 1.72 C ATOM 295 CZ PHE A 20 2.612 1.045 8.010 1.00 1.00 C ATOM 0 H PHE A 20 2.180 -2.851 10.357 1.00 0.68 H new ATOM 0 HA PHE A 20 4.297 -1.845 11.838 1.00 0.76 H new ATOM 0 HB2 PHE A 20 1.332 -1.186 12.057 1.00 0.78 H new ATOM 0 HB3 PHE A 20 2.635 -0.178 12.655 1.00 0.78 H new ATOM 0 HD1 PHE A 20 4.584 0.134 10.642 1.00 1.64 H new ATOM 0 HD2 PHE A 20 0.335 -0.327 10.146 1.00 1.53 H new ATOM 0 HE1 PHE A 20 4.705 1.319 8.464 1.00 1.59 H new ATOM 0 HE2 PHE A 20 0.509 0.595 7.845 1.00 1.72 H new ATOM 0 HZ PHE A 20 2.671 1.527 7.045 1.00 1.00 H new ATOM 305 N PHE A 21 2.298 -3.632 13.721 1.00 0.94 N ATOM 306 CA PHE A 21 2.242 -4.368 14.980 1.00 1.13 C ATOM 307 C PHE A 21 3.282 -5.495 14.972 1.00 1.23 C ATOM 308 O PHE A 21 4.135 -5.585 15.852 1.00 1.51 O ATOM 309 CB PHE A 21 0.819 -4.908 15.187 1.00 1.13 C ATOM 310 CG PHE A 21 0.669 -5.932 16.293 1.00 1.81 C ATOM 311 CD1 PHE A 21 1.035 -5.610 17.614 1.00 2.46 C ATOM 312 CD2 PHE A 21 0.168 -7.214 15.997 1.00 3.25 C ATOM 313 CE1 PHE A 21 0.852 -6.551 18.641 1.00 3.24 C ATOM 314 CE2 PHE A 21 0.008 -8.162 17.022 1.00 4.11 C ATOM 315 CZ PHE A 21 0.335 -7.825 18.347 1.00 3.75 C ATOM 0 H PHE A 21 1.573 -3.908 13.059 1.00 0.94 H new ATOM 0 HA PHE A 21 2.480 -3.707 15.813 1.00 1.13 H new ATOM 0 HB2 PHE A 21 0.157 -4.069 15.400 1.00 1.13 H new ATOM 0 HB3 PHE A 21 0.478 -5.354 14.253 1.00 1.13 H new ATOM 0 HD1 PHE A 21 1.456 -4.641 17.837 1.00 2.46 H new ATOM 0 HD2 PHE A 21 -0.094 -7.469 14.981 1.00 3.25 H new ATOM 0 HE1 PHE A 21 1.109 -6.295 19.658 1.00 3.24 H new ATOM 0 HE2 PHE A 21 -0.366 -9.149 16.792 1.00 4.11 H new ATOM 0 HZ PHE A 21 0.189 -8.545 19.139 1.00 3.75 H new ATOM 325 N THR A 22 3.238 -6.365 13.966 1.00 1.19 N ATOM 326 CA THR A 22 4.115 -7.519 13.869 1.00 1.48 C ATOM 327 C THR A 22 5.456 -7.083 13.269 1.00 1.64 C ATOM 328 O THR A 22 5.860 -7.543 12.206 1.00 2.00 O ATOM 329 CB THR A 22 3.402 -8.607 13.050 1.00 1.91 C ATOM 330 OG1 THR A 22 2.054 -8.693 13.475 1.00 2.69 O ATOM 331 CG2 THR A 22 4.054 -9.980 13.238 1.00 2.38 C ATOM 0 H THR A 22 2.583 -6.284 13.188 1.00 1.19 H new ATOM 0 HA THR A 22 4.335 -7.943 14.849 1.00 1.48 H new ATOM 0 HB THR A 22 3.471 -8.332 11.997 1.00 1.91 H new ATOM 0 HG1 THR A 22 1.591 -9.384 12.957 1.00 2.69 H new ATOM 0 HG21 THR A 22 3.520 -10.721 12.643 1.00 2.38 H new ATOM 0 HG22 THR A 22 5.094 -9.936 12.915 1.00 2.38 H new ATOM 0 HG23 THR A 22 4.012 -10.262 14.290 1.00 2.38 H new ATOM 478 N ASP A 31 2.833 4.047 15.010 1.00 1.31 N ATOM 479 CA ASP A 31 1.937 4.576 13.981 1.00 1.07 C ATOM 480 C ASP A 31 2.375 3.924 12.673 1.00 1.11 C ATOM 481 O ASP A 31 1.707 3.063 12.106 1.00 1.74 O ATOM 482 CB ASP A 31 2.092 6.109 13.827 1.00 1.65 C ATOM 483 CG ASP A 31 1.291 6.959 14.797 1.00 2.82 C ATOM 484 OD1 ASP A 31 0.050 6.834 14.775 1.00 2.85 O ATOM 485 OD2 ASP A 31 1.941 7.790 15.476 1.00 4.52 O ATOM 0 HA ASP A 31 0.900 4.367 14.244 1.00 1.07 H new ATOM 0 HB2 ASP A 31 3.147 6.361 13.939 1.00 1.65 H new ATOM 0 HB3 ASP A 31 1.805 6.383 12.812 1.00 1.65 H new ATOM 490 N SER A 32 3.558 4.358 12.243 1.00 1.04 N ATOM 491 CA SER A 32 4.448 3.742 11.293 1.00 1.17 C ATOM 492 C SER A 32 5.840 4.091 11.827 1.00 1.23 C ATOM 493 O SER A 32 6.053 3.995 13.036 1.00 1.40 O ATOM 494 CB SER A 32 4.151 4.270 9.886 1.00 1.26 C ATOM 495 OG SER A 32 5.064 3.758 8.938 1.00 1.71 O ATOM 0 H SER A 32 3.943 5.235 12.592 1.00 1.04 H new ATOM 0 HA SER A 32 4.343 2.661 11.196 1.00 1.17 H new ATOM 0 HB2 SER A 32 3.136 3.996 9.600 1.00 1.26 H new ATOM 0 HB3 SER A 32 4.198 5.359 9.887 1.00 1.26 H new ATOM 0 HG SER A 32 4.774 2.867 8.653 1.00 1.71 H new ATOM 501 N LEU A 33 6.761 4.505 10.960 1.00 1.23 N ATOM 502 CA LEU A 33 8.164 4.697 11.272 1.00 1.35 C ATOM 503 C LEU A 33 8.557 6.161 11.204 1.00 1.17 C ATOM 504 O LEU A 33 7.955 6.972 10.500 1.00 1.43 O ATOM 505 CB LEU A 33 9.018 3.911 10.265 1.00 1.69 C ATOM 506 CG LEU A 33 9.151 2.399 10.511 1.00 1.57 C ATOM 507 CD1 LEU A 33 9.966 2.096 11.775 1.00 2.00 C ATOM 508 CD2 LEU A 33 7.812 1.668 10.573 1.00 1.25 C ATOM 0 H LEU A 33 6.537 4.722 9.989 1.00 1.23 H new ATOM 0 HA LEU A 33 8.334 4.341 12.288 1.00 1.35 H new ATOM 0 HB2 LEU A 33 8.596 4.059 9.271 1.00 1.69 H new ATOM 0 HB3 LEU A 33 10.018 4.344 10.254 1.00 1.69 H new ATOM 0 HG LEU A 33 9.685 2.019 9.640 1.00 1.57 H new ATOM 0 HD11 LEU A 33 10.036 1.017 11.913 1.00 2.00 H new ATOM 0 HD12 LEU A 33 10.967 2.515 11.671 1.00 2.00 H new ATOM 0 HD13 LEU A 33 9.474 2.541 12.640 1.00 2.00 H new ATOM 0 HD21 LEU A 33 7.985 0.606 10.749 1.00 1.25 H new ATOM 0 HD22 LEU A 33 7.211 2.077 11.385 1.00 1.25 H new ATOM 0 HD23 LEU A 33 7.283 1.798 9.629 1.00 1.25 H new ATOM 520 N SER A 34 9.645 6.482 11.895 1.00 0.93 N ATOM 521 CA SER A 34 10.305 7.753 11.713 1.00 0.81 C ATOM 522 C SER A 34 10.814 7.823 10.264 1.00 0.67 C ATOM 523 O SER A 34 11.250 6.805 9.728 1.00 0.77 O ATOM 524 CB SER A 34 11.398 7.900 12.773 1.00 1.09 C ATOM 525 OG SER A 34 10.973 7.290 13.982 1.00 2.05 O ATOM 0 H SER A 34 10.083 5.873 12.586 1.00 0.93 H new ATOM 0 HA SER A 34 9.632 8.598 11.854 1.00 0.81 H new ATOM 0 HB2 SER A 34 12.321 7.437 12.425 1.00 1.09 H new ATOM 0 HB3 SER A 34 11.615 8.955 12.943 1.00 1.09 H new ATOM 0 HG SER A 34 10.111 7.669 14.254 1.00 2.05 H new ATOM 531 N VAL A 35 10.716 8.975 9.591 1.00 0.67 N ATOM 532 CA VAL A 35 10.848 9.022 8.130 1.00 0.63 C ATOM 533 C VAL A 35 12.228 8.521 7.685 1.00 0.59 C ATOM 534 O VAL A 35 12.352 7.822 6.680 1.00 0.57 O ATOM 535 CB VAL A 35 10.585 10.440 7.599 1.00 0.73 C ATOM 536 CG1 VAL A 35 10.502 10.469 6.068 1.00 0.78 C ATOM 537 CG2 VAL A 35 9.272 11.048 8.107 1.00 0.87 C ATOM 0 H VAL A 35 10.547 9.880 10.030 1.00 0.67 H new ATOM 0 HA VAL A 35 10.095 8.357 7.706 1.00 0.63 H new ATOM 0 HB VAL A 35 11.431 11.021 7.967 1.00 0.73 H new ATOM 0 HG11 VAL A 35 10.315 11.489 5.733 1.00 0.78 H new ATOM 0 HG12 VAL A 35 11.443 10.115 5.646 1.00 0.78 H new ATOM 0 HG13 VAL A 35 9.689 9.823 5.735 1.00 0.78 H new ATOM 0 HG21 VAL A 35 9.150 12.049 7.693 1.00 0.87 H new ATOM 0 HG22 VAL A 35 8.436 10.422 7.794 1.00 0.87 H new ATOM 0 HG23 VAL A 35 9.295 11.106 9.195 1.00 0.87 H new ATOM 547 N ASN A 36 13.273 8.880 8.433 1.00 0.79 N ATOM 548 CA ASN A 36 14.627 8.432 8.129 1.00 0.90 C ATOM 549 C ASN A 36 14.669 6.901 8.153 1.00 0.72 C ATOM 550 O ASN A 36 14.992 6.249 7.161 1.00 0.64 O ATOM 551 CB ASN A 36 15.630 9.023 9.134 1.00 1.35 C ATOM 552 CG ASN A 36 16.844 9.608 8.423 1.00 1.97 C ATOM 553 OD1 ASN A 36 17.409 8.996 7.522 1.00 2.52 O ATOM 554 ND2 ASN A 36 17.232 10.820 8.800 1.00 2.60 N ATOM 0 H ASN A 36 13.204 9.481 9.254 1.00 0.79 H new ATOM 0 HA ASN A 36 14.909 8.781 7.135 1.00 0.90 H new ATOM 0 HB2 ASN A 36 15.143 9.799 9.725 1.00 1.35 H new ATOM 0 HB3 ASN A 36 15.951 8.248 9.829 1.00 1.35 H new ATOM 0 HD21 ASN A 36 18.022 11.270 8.337 1.00 2.60 H new ATOM 0 HD22 ASN A 36 16.740 11.302 9.553 1.00 2.60 H new ATOM 561 N GLU A 37 14.280 6.346 9.305 1.00 0.84 N ATOM 562 CA GLU A 37 14.281 4.922 9.594 1.00 0.90 C ATOM 563 C GLU A 37 13.491 4.180 8.516 1.00 0.78 C ATOM 564 O GLU A 37 13.985 3.225 7.923 1.00 0.81 O ATOM 565 CB GLU A 37 13.708 4.717 11.006 1.00 1.14 C ATOM 566 CG GLU A 37 13.808 3.269 11.502 1.00 1.72 C ATOM 567 CD GLU A 37 15.243 2.767 11.619 1.00 3.05 C ATOM 568 OE1 GLU A 37 16.107 3.594 11.978 1.00 3.69 O ATOM 569 OE2 GLU A 37 15.439 1.563 11.349 1.00 4.20 O ATOM 0 H GLU A 37 13.943 6.906 10.089 1.00 0.84 H new ATOM 0 HA GLU A 37 15.291 4.512 9.578 1.00 0.90 H new ATOM 0 HB2 GLU A 37 14.236 5.369 11.702 1.00 1.14 H new ATOM 0 HB3 GLU A 37 12.662 5.024 11.013 1.00 1.14 H new ATOM 0 HG2 GLU A 37 13.323 3.192 12.475 1.00 1.72 H new ATOM 0 HG3 GLU A 37 13.258 2.620 10.820 1.00 1.72 H new ATOM 576 N PHE A 38 12.282 4.667 8.217 1.00 0.71 N ATOM 577 CA PHE A 38 11.455 4.183 7.121 1.00 0.65 C ATOM 578 C PHE A 38 12.275 3.974 5.848 1.00 0.59 C ATOM 579 O PHE A 38 12.203 2.897 5.258 1.00 0.66 O ATOM 580 CB PHE A 38 10.308 5.163 6.841 1.00 0.65 C ATOM 581 CG PHE A 38 9.667 5.005 5.475 1.00 0.76 C ATOM 582 CD1 PHE A 38 8.783 3.940 5.234 1.00 1.44 C ATOM 583 CD2 PHE A 38 10.032 5.865 4.421 1.00 1.94 C ATOM 584 CE1 PHE A 38 8.212 3.778 3.959 1.00 1.46 C ATOM 585 CE2 PHE A 38 9.489 5.678 3.138 1.00 2.14 C ATOM 586 CZ PHE A 38 8.567 4.643 2.911 1.00 1.20 C ATOM 0 H PHE A 38 11.848 5.424 8.745 1.00 0.71 H new ATOM 0 HA PHE A 38 11.043 3.220 7.424 1.00 0.65 H new ATOM 0 HB2 PHE A 38 9.542 5.034 7.605 1.00 0.65 H new ATOM 0 HB3 PHE A 38 10.685 6.181 6.936 1.00 0.65 H new ATOM 0 HD1 PHE A 38 8.542 3.247 6.027 1.00 1.44 H new ATOM 0 HD2 PHE A 38 10.730 6.669 4.599 1.00 1.94 H new ATOM 0 HE1 PHE A 38 7.498 2.986 3.785 1.00 1.46 H new ATOM 0 HE2 PHE A 38 9.780 6.330 2.328 1.00 2.14 H new ATOM 0 HZ PHE A 38 8.131 4.512 1.931 1.00 1.20 H new ATOM 596 N LYS A 39 13.020 4.997 5.403 1.00 0.55 N ATOM 597 CA LYS A 39 13.662 4.962 4.097 1.00 0.54 C ATOM 598 C LYS A 39 14.615 3.767 4.066 1.00 0.63 C ATOM 599 O LYS A 39 14.655 2.993 3.109 1.00 0.71 O ATOM 600 CB LYS A 39 14.388 6.293 3.833 1.00 0.64 C ATOM 601 CG LYS A 39 15.118 6.327 2.480 1.00 0.84 C ATOM 602 CD LYS A 39 16.610 6.060 2.708 1.00 1.54 C ATOM 603 CE LYS A 39 17.407 5.940 1.407 1.00 2.35 C ATOM 604 NZ LYS A 39 18.833 5.692 1.701 1.00 3.38 N ATOM 0 H LYS A 39 13.188 5.853 5.933 1.00 0.55 H new ATOM 0 HA LYS A 39 12.925 4.841 3.303 1.00 0.54 H new ATOM 0 HB2 LYS A 39 13.664 7.107 3.869 1.00 0.64 H new ATOM 0 HB3 LYS A 39 15.108 6.471 4.632 1.00 0.64 H new ATOM 0 HG2 LYS A 39 14.700 5.577 1.808 1.00 0.84 H new ATOM 0 HG3 LYS A 39 14.978 7.296 2.002 1.00 0.84 H new ATOM 0 HD2 LYS A 39 17.029 6.866 3.310 1.00 1.54 H new ATOM 0 HD3 LYS A 39 16.724 5.141 3.283 1.00 1.54 H new ATOM 0 HE2 LYS A 39 17.007 5.127 0.801 1.00 2.35 H new ATOM 0 HE3 LYS A 39 17.303 6.854 0.823 1.00 2.35 H new ATOM 0 HZ1 LYS A 39 19.224 5.035 0.996 1.00 3.38 H new ATOM 0 HZ2 LYS A 39 19.356 6.590 1.665 1.00 3.38 H new ATOM 0 HZ3 LYS A 39 18.925 5.276 2.650 1.00 3.38 H new ATOM 618 N GLU A 40 15.391 3.633 5.137 1.00 0.70 N ATOM 619 CA GLU A 40 16.418 2.621 5.260 1.00 0.83 C ATOM 620 C GLU A 40 15.780 1.238 5.413 1.00 0.91 C ATOM 621 O GLU A 40 16.182 0.286 4.746 1.00 1.11 O ATOM 622 CB GLU A 40 17.328 3.016 6.424 1.00 0.96 C ATOM 623 CG GLU A 40 18.002 4.365 6.115 1.00 0.95 C ATOM 624 CD GLU A 40 19.181 4.198 5.162 1.00 2.45 C ATOM 625 OE1 GLU A 40 20.264 3.812 5.644 1.00 3.11 O ATOM 626 OE2 GLU A 40 18.981 4.448 3.950 1.00 3.71 O ATOM 0 H GLU A 40 15.317 4.239 5.955 1.00 0.70 H new ATOM 0 HA GLU A 40 17.033 2.558 4.362 1.00 0.83 H new ATOM 0 HB2 GLU A 40 16.748 3.090 7.344 1.00 0.96 H new ATOM 0 HB3 GLU A 40 18.085 2.248 6.585 1.00 0.96 H new ATOM 0 HG2 GLU A 40 17.272 5.045 5.676 1.00 0.95 H new ATOM 0 HG3 GLU A 40 18.345 4.822 7.043 1.00 0.95 H new ATOM 633 N LEU A 41 14.744 1.117 6.242 1.00 0.84 N ATOM 634 CA LEU A 41 13.994 -0.122 6.352 1.00 0.93 C ATOM 635 C LEU A 41 13.474 -0.556 4.984 1.00 0.88 C ATOM 636 O LEU A 41 13.717 -1.689 4.579 1.00 1.01 O ATOM 637 CB LEU A 41 12.855 0.011 7.368 1.00 1.00 C ATOM 638 CG LEU A 41 13.351 0.010 8.823 1.00 1.09 C ATOM 639 CD1 LEU A 41 12.175 0.387 9.726 1.00 2.09 C ATOM 640 CD2 LEU A 41 13.889 -1.359 9.263 1.00 2.36 C ATOM 0 H LEU A 41 14.408 1.867 6.846 1.00 0.84 H new ATOM 0 HA LEU A 41 14.666 -0.898 6.718 1.00 0.93 H new ATOM 0 HB2 LEU A 41 12.309 0.935 7.176 1.00 1.00 H new ATOM 0 HB3 LEU A 41 12.152 -0.810 7.228 1.00 1.00 H new ATOM 0 HG LEU A 41 14.171 0.724 8.900 1.00 1.09 H new ATOM 0 HD11 LEU A 41 12.502 0.393 10.766 1.00 2.09 H new ATOM 0 HD12 LEU A 41 11.811 1.378 9.454 1.00 2.09 H new ATOM 0 HD13 LEU A 41 11.373 -0.341 9.602 1.00 2.09 H new ATOM 0 HD21 LEU A 41 14.226 -1.302 10.298 1.00 2.36 H new ATOM 0 HD22 LEU A 41 13.098 -2.105 9.179 1.00 2.36 H new ATOM 0 HD23 LEU A 41 14.725 -1.643 8.625 1.00 2.36 H new ATOM 652 N VAL A 42 12.797 0.316 4.230 1.00 0.77 N ATOM 653 CA VAL A 42 12.297 -0.114 2.929 1.00 0.81 C ATOM 654 C VAL A 42 13.466 -0.470 2.005 1.00 0.87 C ATOM 655 O VAL A 42 13.440 -1.519 1.365 1.00 1.02 O ATOM 656 CB VAL A 42 11.263 0.841 2.306 1.00 0.76 C ATOM 657 CG1 VAL A 42 10.034 0.967 3.213 1.00 1.33 C ATOM 658 CG2 VAL A 42 11.798 2.228 1.941 1.00 1.41 C ATOM 0 H VAL A 42 12.591 1.282 4.486 1.00 0.77 H new ATOM 0 HA VAL A 42 11.718 -1.025 3.084 1.00 0.81 H new ATOM 0 HB VAL A 42 10.988 0.380 1.357 1.00 0.76 H new ATOM 0 HG11 VAL A 42 9.313 1.646 2.757 1.00 1.33 H new ATOM 0 HG12 VAL A 42 9.576 -0.014 3.344 1.00 1.33 H new ATOM 0 HG13 VAL A 42 10.337 1.358 4.184 1.00 1.33 H new ATOM 0 HG21 VAL A 42 10.995 2.826 1.510 1.00 1.41 H new ATOM 0 HG22 VAL A 42 12.175 2.720 2.838 1.00 1.41 H new ATOM 0 HG23 VAL A 42 12.605 2.127 1.215 1.00 1.41 H new ATOM 668 N THR A 43 14.520 0.354 1.961 1.00 0.80 N ATOM 669 CA THR A 43 15.651 0.069 1.082 1.00 0.95 C ATOM 670 C THR A 43 16.272 -1.303 1.405 1.00 1.12 C ATOM 671 O THR A 43 16.628 -2.055 0.501 1.00 1.30 O ATOM 672 CB THR A 43 16.640 1.254 1.025 1.00 0.98 C ATOM 673 OG1 THR A 43 17.098 1.423 -0.297 1.00 1.46 O ATOM 674 CG2 THR A 43 17.861 1.126 1.935 1.00 1.09 C ATOM 0 H THR A 43 14.610 1.207 2.514 1.00 0.80 H new ATOM 0 HA THR A 43 15.295 -0.026 0.056 1.00 0.95 H new ATOM 0 HB THR A 43 16.072 2.112 1.384 1.00 0.98 H new ATOM 0 HG1 THR A 43 17.724 2.176 -0.333 1.00 1.46 H new ATOM 0 HG21 THR A 43 18.493 2.007 1.822 1.00 1.09 H new ATOM 0 HG22 THR A 43 17.535 1.044 2.972 1.00 1.09 H new ATOM 0 HG23 THR A 43 18.427 0.236 1.661 1.00 1.09 H new ATOM 682 N GLN A 44 16.349 -1.675 2.688 1.00 1.10 N ATOM 683 CA GLN A 44 16.740 -3.024 3.083 1.00 1.28 C ATOM 684 C GLN A 44 15.711 -4.057 2.607 1.00 1.44 C ATOM 685 O GLN A 44 16.068 -5.056 1.988 1.00 1.69 O ATOM 686 CB GLN A 44 16.891 -3.100 4.606 1.00 1.30 C ATOM 687 CG GLN A 44 18.107 -2.325 5.123 1.00 1.88 C ATOM 688 CD GLN A 44 18.109 -2.248 6.647 1.00 2.29 C ATOM 689 OE1 GLN A 44 17.341 -2.931 7.318 1.00 2.67 O ATOM 690 NE2 GLN A 44 18.979 -1.418 7.216 1.00 3.37 N ATOM 0 H GLN A 44 16.144 -1.054 3.470 1.00 1.10 H new ATOM 0 HA GLN A 44 17.696 -3.253 2.613 1.00 1.28 H new ATOM 0 HB2 GLN A 44 15.989 -2.707 5.076 1.00 1.30 H new ATOM 0 HB3 GLN A 44 16.977 -4.144 4.906 1.00 1.30 H new ATOM 0 HG2 GLN A 44 19.022 -2.809 4.780 1.00 1.88 H new ATOM 0 HG3 GLN A 44 18.103 -1.318 4.706 1.00 1.88 H new ATOM 0 HE21 GLN A 44 19.607 -0.861 6.636 1.00 3.37 H new ATOM 0 HE22 GLN A 44 19.018 -1.339 8.232 1.00 3.37 H new ATOM 699 N GLN A 45 14.437 -3.846 2.948 1.00 1.30 N ATOM 700 CA GLN A 45 13.353 -4.792 2.712 1.00 1.32 C ATOM 701 C GLN A 45 13.137 -5.089 1.231 1.00 1.35 C ATOM 702 O GLN A 45 12.653 -6.175 0.924 1.00 1.44 O ATOM 703 CB GLN A 45 12.045 -4.290 3.335 1.00 1.23 C ATOM 704 CG GLN A 45 11.860 -4.760 4.782 1.00 1.31 C ATOM 705 CD GLN A 45 12.814 -4.170 5.820 1.00 1.31 C ATOM 706 OE1 GLN A 45 12.405 -3.377 6.660 1.00 1.86 O ATOM 707 NE2 GLN A 45 14.074 -4.598 5.829 1.00 2.24 N ATOM 0 H GLN A 45 14.127 -2.990 3.407 1.00 1.30 H new ATOM 0 HA GLN A 45 13.652 -5.724 3.192 1.00 1.32 H new ATOM 0 HB2 GLN A 45 12.028 -3.201 3.306 1.00 1.23 H new ATOM 0 HB3 GLN A 45 11.204 -4.637 2.734 1.00 1.23 H new ATOM 0 HG2 GLN A 45 10.839 -4.529 5.087 1.00 1.31 H new ATOM 0 HG3 GLN A 45 11.962 -5.845 4.804 1.00 1.31 H new ATOM 0 HE21 GLN A 45 14.393 -5.258 5.120 1.00 2.24 H new ATOM 0 HE22 GLN A 45 14.720 -4.266 6.545 1.00 2.24 H new ATOM 716 N LEU A 46 13.455 -4.150 0.335 1.00 1.32 N ATOM 717 CA LEU A 46 13.390 -4.353 -1.109 1.00 1.37 C ATOM 718 C LEU A 46 14.797 -4.630 -1.668 1.00 1.40 C ATOM 719 O LEU A 46 15.323 -3.803 -2.407 1.00 1.54 O ATOM 720 CB LEU A 46 12.790 -3.105 -1.790 1.00 1.41 C ATOM 721 CG LEU A 46 11.290 -2.860 -1.554 1.00 1.47 C ATOM 722 CD1 LEU A 46 10.965 -2.195 -0.218 1.00 1.26 C ATOM 723 CD2 LEU A 46 10.756 -2.013 -2.712 1.00 2.13 C ATOM 0 H LEU A 46 13.769 -3.216 0.599 1.00 1.32 H new ATOM 0 HA LEU A 46 12.752 -5.212 -1.316 1.00 1.37 H new ATOM 0 HB2 LEU A 46 13.339 -2.229 -1.445 1.00 1.41 H new ATOM 0 HB3 LEU A 46 12.960 -3.185 -2.864 1.00 1.41 H new ATOM 0 HG LEU A 46 10.804 -3.835 -1.513 1.00 1.47 H new ATOM 0 HD11 LEU A 46 9.887 -2.059 -0.132 1.00 1.26 H new ATOM 0 HD12 LEU A 46 11.317 -2.826 0.598 1.00 1.26 H new ATOM 0 HD13 LEU A 46 11.459 -1.225 -0.165 1.00 1.26 H new ATOM 0 HD21 LEU A 46 9.692 -1.826 -2.566 1.00 2.13 H new ATOM 0 HD22 LEU A 46 11.290 -1.063 -2.745 1.00 2.13 H new ATOM 0 HD23 LEU A 46 10.905 -2.546 -3.651 1.00 2.13 H new ATOM 735 N PRO A 47 15.431 -5.786 -1.401 1.00 1.33 N ATOM 736 CA PRO A 47 16.803 -6.050 -1.827 1.00 1.30 C ATOM 737 C PRO A 47 16.946 -6.193 -3.349 1.00 1.46 C ATOM 738 O PRO A 47 18.065 -6.299 -3.844 1.00 1.89 O ATOM 739 CB PRO A 47 17.192 -7.354 -1.127 1.00 1.49 C ATOM 740 CG PRO A 47 15.856 -8.087 -1.041 1.00 1.65 C ATOM 741 CD PRO A 47 14.895 -6.951 -0.720 1.00 1.44 C ATOM 0 HA PRO A 47 17.450 -5.214 -1.562 1.00 1.30 H new ATOM 0 HB2 PRO A 47 17.929 -7.918 -1.698 1.00 1.49 H new ATOM 0 HB3 PRO A 47 17.622 -7.174 -0.141 1.00 1.49 H new ATOM 0 HG2 PRO A 47 15.602 -8.585 -1.977 1.00 1.65 H new ATOM 0 HG3 PRO A 47 15.859 -8.852 -0.264 1.00 1.65 H new ATOM 0 HD2 PRO A 47 13.887 -7.179 -1.067 1.00 1.44 H new ATOM 0 HD3 PRO A 47 14.831 -6.783 0.355 1.00 1.44 H new ATOM 749 N HIS A 48 15.830 -6.230 -4.087 1.00 1.39 N ATOM 750 CA HIS A 48 15.779 -6.508 -5.512 1.00 1.52 C ATOM 751 C HIS A 48 16.809 -5.701 -6.322 1.00 1.58 C ATOM 752 O HIS A 48 17.392 -6.246 -7.260 1.00 2.64 O ATOM 753 CB HIS A 48 14.359 -6.231 -6.015 1.00 1.71 C ATOM 754 CG HIS A 48 14.079 -6.749 -7.405 1.00 2.64 C ATOM 755 ND1 HIS A 48 14.964 -6.842 -8.457 1.00 4.31 N ATOM 756 CD2 HIS A 48 12.870 -7.204 -7.847 1.00 2.81 C ATOM 757 CE1 HIS A 48 14.285 -7.321 -9.515 1.00 4.93 C ATOM 758 NE2 HIS A 48 12.999 -7.542 -9.197 1.00 4.03 N ATOM 0 H HIS A 48 14.908 -6.060 -3.685 1.00 1.39 H new ATOM 0 HA HIS A 48 16.039 -7.556 -5.659 1.00 1.52 H new ATOM 0 HB2 HIS A 48 13.647 -6.680 -5.323 1.00 1.71 H new ATOM 0 HB3 HIS A 48 14.184 -5.155 -5.999 1.00 1.71 H new ATOM 0 HD1 HIS A 48 15.953 -6.593 -8.437 1.00 4.31 H new ATOM 0 HD2 HIS A 48 11.970 -7.288 -7.256 1.00 2.81 H new ATOM 0 HE1 HIS A 48 14.716 -7.503 -10.488 1.00 4.93 H new ATOM 766 N LEU A 49 16.981 -4.401 -6.035 1.00 1.38 N ATOM 767 CA LEU A 49 17.954 -3.572 -6.750 1.00 1.45 C ATOM 768 C LEU A 49 18.207 -2.229 -6.051 1.00 1.38 C ATOM 769 O LEU A 49 19.356 -1.868 -5.818 1.00 1.43 O ATOM 770 CB LEU A 49 17.526 -3.349 -8.216 1.00 1.66 C ATOM 771 CG LEU A 49 18.693 -3.508 -9.206 1.00 2.04 C ATOM 772 CD1 LEU A 49 18.162 -3.383 -10.639 1.00 2.67 C ATOM 773 CD2 LEU A 49 19.800 -2.469 -8.980 1.00 3.54 C ATOM 0 H LEU A 49 16.458 -3.905 -5.313 1.00 1.38 H new ATOM 0 HA LEU A 49 18.895 -4.121 -6.742 1.00 1.45 H new ATOM 0 HB2 LEU A 49 16.739 -4.058 -8.472 1.00 1.66 H new ATOM 0 HB3 LEU A 49 17.102 -2.350 -8.318 1.00 1.66 H new ATOM 0 HG LEU A 49 19.131 -4.492 -9.042 1.00 2.04 H new ATOM 0 HD11 LEU A 49 18.986 -3.495 -11.343 1.00 2.67 H new ATOM 0 HD12 LEU A 49 17.420 -4.161 -10.821 1.00 2.67 H new ATOM 0 HD13 LEU A 49 17.701 -2.404 -10.772 1.00 2.67 H new ATOM 0 HD21 LEU A 49 20.599 -2.625 -9.704 1.00 3.54 H new ATOM 0 HD22 LEU A 49 19.389 -1.467 -9.104 1.00 3.54 H new ATOM 0 HD23 LEU A 49 20.199 -2.576 -7.971 1.00 3.54 H new ATOM 785 N LEU A 50 17.136 -1.483 -5.754 1.00 1.39 N ATOM 786 CA LEU A 50 17.194 -0.117 -5.224 1.00 1.44 C ATOM 787 C LEU A 50 17.785 0.824 -6.278 1.00 1.45 C ATOM 788 O LEU A 50 18.770 1.521 -6.047 1.00 1.62 O ATOM 789 CB LEU A 50 17.945 -0.007 -3.881 1.00 1.65 C ATOM 790 CG LEU A 50 17.427 -0.882 -2.729 1.00 1.80 C ATOM 791 CD1 LEU A 50 15.899 -0.827 -2.626 1.00 2.41 C ATOM 792 CD2 LEU A 50 17.943 -2.324 -2.778 1.00 2.71 C ATOM 0 H LEU A 50 16.182 -1.822 -5.879 1.00 1.39 H new ATOM 0 HA LEU A 50 16.170 0.185 -5.004 1.00 1.44 H new ATOM 0 HB2 LEU A 50 18.992 -0.257 -4.055 1.00 1.65 H new ATOM 0 HB3 LEU A 50 17.915 1.034 -3.558 1.00 1.65 H new ATOM 0 HG LEU A 50 17.840 -0.453 -1.816 1.00 1.80 H new ATOM 0 HD11 LEU A 50 15.567 -1.457 -1.801 1.00 2.41 H new ATOM 0 HD12 LEU A 50 15.583 0.201 -2.447 1.00 2.41 H new ATOM 0 HD13 LEU A 50 15.458 -1.185 -3.556 1.00 2.41 H new ATOM 0 HD21 LEU A 50 17.538 -2.884 -1.935 1.00 2.71 H new ATOM 0 HD22 LEU A 50 17.627 -2.792 -3.711 1.00 2.71 H new ATOM 0 HD23 LEU A 50 19.032 -2.323 -2.723 1.00 2.71 H new ATOM 804 N LYS A 51 17.190 0.801 -7.474 1.00 1.36 N ATOM 805 CA LYS A 51 17.666 1.571 -8.615 1.00 1.41 C ATOM 806 C LYS A 51 17.213 3.036 -8.553 1.00 1.36 C ATOM 807 O LYS A 51 17.910 3.907 -9.063 1.00 1.44 O ATOM 808 CB LYS A 51 17.239 0.871 -9.909 1.00 1.41 C ATOM 809 CG LYS A 51 15.724 0.946 -10.150 1.00 1.35 C ATOM 810 CD LYS A 51 15.332 2.173 -10.989 1.00 1.56 C ATOM 811 CE LYS A 51 15.277 1.891 -12.494 1.00 1.74 C ATOM 812 NZ LYS A 51 16.609 1.585 -13.054 1.00 2.23 N ATOM 0 H LYS A 51 16.360 0.243 -7.674 1.00 1.36 H new ATOM 0 HA LYS A 51 18.755 1.609 -8.590 1.00 1.41 H new ATOM 0 HB2 LYS A 51 17.760 1.325 -10.752 1.00 1.41 H new ATOM 0 HB3 LYS A 51 17.546 -0.174 -9.870 1.00 1.41 H new ATOM 0 HG2 LYS A 51 15.393 0.040 -10.657 1.00 1.35 H new ATOM 0 HG3 LYS A 51 15.206 0.982 -9.192 1.00 1.35 H new ATOM 0 HD2 LYS A 51 14.358 2.533 -10.659 1.00 1.56 H new ATOM 0 HD3 LYS A 51 16.047 2.974 -10.803 1.00 1.56 H new ATOM 0 HE2 LYS A 51 14.605 1.053 -12.680 1.00 1.74 H new ATOM 0 HE3 LYS A 51 14.858 2.756 -13.009 1.00 1.74 H new ATOM 0 HZ1 LYS A 51 16.540 1.501 -14.088 1.00 2.23 H new ATOM 0 HZ2 LYS A 51 17.271 2.349 -12.812 1.00 2.23 H new ATOM 0 HZ3 LYS A 51 16.955 0.688 -12.657 1.00 2.23 H new ATOM 826 N ASP A 52 16.017 3.269 -7.998 1.00 1.27 N ATOM 827 CA ASP A 52 15.534 4.526 -7.447 1.00 1.28 C ATOM 828 C ASP A 52 15.691 5.735 -8.370 1.00 1.24 C ATOM 829 O ASP A 52 16.700 6.435 -8.323 1.00 1.46 O ATOM 830 CB ASP A 52 16.103 4.710 -6.034 1.00 1.57 C ATOM 831 CG ASP A 52 15.664 3.599 -5.074 1.00 1.71 C ATOM 832 OD1 ASP A 52 15.283 2.512 -5.574 1.00 2.01 O ATOM 833 OD2 ASP A 52 15.732 3.855 -3.852 1.00 2.87 O ATOM 0 H ASP A 52 15.319 2.529 -7.920 1.00 1.27 H new ATOM 0 HA ASP A 52 14.449 4.463 -7.364 1.00 1.28 H new ATOM 0 HB2 ASP A 52 17.192 4.733 -6.085 1.00 1.57 H new ATOM 0 HB3 ASP A 52 15.782 5.674 -5.640 1.00 1.57 H new ATOM 838 N VAL A 53 14.664 6.005 -9.195 1.00 1.14 N ATOM 839 CA VAL A 53 14.654 7.138 -10.114 1.00 1.19 C ATOM 840 C VAL A 53 13.343 7.932 -10.087 1.00 1.20 C ATOM 841 O VAL A 53 12.254 7.402 -9.858 1.00 1.65 O ATOM 842 CB VAL A 53 15.024 6.721 -11.545 1.00 1.59 C ATOM 843 CG1 VAL A 53 16.466 6.203 -11.622 1.00 2.76 C ATOM 844 CG2 VAL A 53 14.055 5.681 -12.122 1.00 2.56 C ATOM 0 H VAL A 53 13.818 5.436 -9.237 1.00 1.14 H new ATOM 0 HA VAL A 53 15.428 7.814 -9.752 1.00 1.19 H new ATOM 0 HB VAL A 53 14.943 7.620 -12.156 1.00 1.59 H new ATOM 0 HG11 VAL A 53 16.695 5.916 -12.648 1.00 2.76 H new ATOM 0 HG12 VAL A 53 17.152 6.987 -11.302 1.00 2.76 H new ATOM 0 HG13 VAL A 53 16.577 5.336 -10.970 1.00 2.76 H new ATOM 0 HG21 VAL A 53 14.362 5.421 -13.135 1.00 2.56 H new ATOM 0 HG22 VAL A 53 14.067 4.787 -11.498 1.00 2.56 H new ATOM 0 HG23 VAL A 53 13.047 6.095 -12.143 1.00 2.56 H new ATOM 854 N GLY A 54 13.461 9.237 -10.344 1.00 1.23 N ATOM 855 CA GLY A 54 12.353 10.172 -10.346 1.00 1.39 C ATOM 856 C GLY A 54 11.815 10.374 -8.934 1.00 1.23 C ATOM 857 O GLY A 54 12.196 11.316 -8.250 1.00 1.25 O ATOM 0 H GLY A 54 14.356 9.675 -10.561 1.00 1.23 H new ATOM 0 HA2 GLY A 54 12.678 11.128 -10.757 1.00 1.39 H new ATOM 0 HA3 GLY A 54 11.559 9.801 -10.993 1.00 1.39 H new ATOM 861 N SER A 55 10.935 9.481 -8.482 1.00 1.21 N ATOM 862 CA SER A 55 10.188 9.700 -7.247 1.00 1.30 C ATOM 863 C SER A 55 11.086 9.586 -6.013 1.00 1.25 C ATOM 864 O SER A 55 10.765 10.120 -4.950 1.00 1.29 O ATOM 865 CB SER A 55 8.966 8.789 -7.187 1.00 1.43 C ATOM 866 OG SER A 55 8.138 9.025 -8.314 1.00 1.59 O ATOM 0 H SER A 55 10.723 8.601 -8.953 1.00 1.21 H new ATOM 0 HA SER A 55 9.817 10.725 -7.247 1.00 1.30 H new ATOM 0 HB2 SER A 55 9.279 7.745 -7.166 1.00 1.43 H new ATOM 0 HB3 SER A 55 8.408 8.973 -6.269 1.00 1.43 H new ATOM 0 HG SER A 55 8.450 9.824 -8.788 1.00 1.59 H new ATOM 872 N LEU A 56 12.255 8.949 -6.169 1.00 1.22 N ATOM 873 CA LEU A 56 13.269 8.973 -5.130 1.00 1.21 C ATOM 874 C LEU A 56 13.567 10.402 -4.701 1.00 1.22 C ATOM 875 O LEU A 56 13.873 10.613 -3.535 1.00 1.10 O ATOM 876 CB LEU A 56 14.522 8.163 -5.503 1.00 1.20 C ATOM 877 CG LEU A 56 15.737 8.874 -6.140 1.00 1.96 C ATOM 878 CD1 LEU A 56 15.422 9.601 -7.450 1.00 3.49 C ATOM 879 CD2 LEU A 56 16.565 9.750 -5.188 1.00 3.44 C ATOM 0 H LEU A 56 12.511 8.418 -7.001 1.00 1.22 H new ATOM 0 HA LEU A 56 12.866 8.461 -4.256 1.00 1.21 H new ATOM 0 HB2 LEU A 56 14.873 7.671 -4.596 1.00 1.20 H new ATOM 0 HB3 LEU A 56 14.208 7.378 -6.191 1.00 1.20 H new ATOM 0 HG LEU A 56 16.386 8.036 -6.393 1.00 1.96 H new ATOM 0 HD11 LEU A 56 16.328 10.073 -7.831 1.00 3.49 H new ATOM 0 HD12 LEU A 56 15.050 8.885 -8.183 1.00 3.49 H new ATOM 0 HD13 LEU A 56 14.664 10.363 -7.270 1.00 3.49 H new ATOM 0 HD21 LEU A 56 17.392 10.202 -5.736 1.00 3.44 H new ATOM 0 HD22 LEU A 56 15.933 10.535 -4.773 1.00 3.44 H new ATOM 0 HD23 LEU A 56 16.959 9.136 -4.378 1.00 3.44 H new ATOM 891 N ASP A 57 13.459 11.371 -5.619 1.00 1.52 N ATOM 892 CA ASP A 57 13.729 12.765 -5.309 1.00 1.63 C ATOM 893 C ASP A 57 12.774 13.254 -4.215 1.00 1.54 C ATOM 894 O ASP A 57 13.204 13.625 -3.126 1.00 1.41 O ATOM 895 CB ASP A 57 13.605 13.603 -6.589 1.00 2.05 C ATOM 896 CG ASP A 57 13.727 15.092 -6.323 1.00 2.72 C ATOM 897 OD1 ASP A 57 14.431 15.472 -5.368 1.00 3.24 O ATOM 898 OD2 ASP A 57 13.057 15.858 -7.051 1.00 3.44 O ATOM 0 H ASP A 57 13.184 11.205 -6.587 1.00 1.52 H new ATOM 0 HA ASP A 57 14.745 12.872 -4.929 1.00 1.63 H new ATOM 0 HB2 ASP A 57 14.378 13.299 -7.295 1.00 2.05 H new ATOM 0 HB3 ASP A 57 12.644 13.399 -7.061 1.00 2.05 H new ATOM 903 N GLU A 58 11.467 13.209 -4.490 1.00 1.73 N ATOM 904 CA GLU A 58 10.417 13.594 -3.549 1.00 1.85 C ATOM 905 C GLU A 58 10.601 12.893 -2.200 1.00 1.51 C ATOM 906 O GLU A 58 10.508 13.518 -1.143 1.00 1.64 O ATOM 907 CB GLU A 58 9.042 13.306 -4.166 1.00 2.11 C ATOM 908 CG GLU A 58 8.768 14.187 -5.397 1.00 2.31 C ATOM 909 CD GLU A 58 8.588 15.655 -5.026 1.00 3.68 C ATOM 910 OE1 GLU A 58 7.482 15.997 -4.560 1.00 4.33 O ATOM 911 OE2 GLU A 58 9.565 16.419 -5.202 1.00 4.87 O ATOM 0 H GLU A 58 11.105 12.898 -5.391 1.00 1.73 H new ATOM 0 HA GLU A 58 10.485 14.664 -3.355 1.00 1.85 H new ATOM 0 HB2 GLU A 58 8.985 12.256 -4.452 1.00 2.11 H new ATOM 0 HB3 GLU A 58 8.267 13.475 -3.419 1.00 2.11 H new ATOM 0 HG2 GLU A 58 9.594 14.091 -6.102 1.00 2.31 H new ATOM 0 HG3 GLU A 58 7.872 13.830 -5.905 1.00 2.31 H new ATOM 918 N LYS A 59 10.891 11.595 -2.228 1.00 1.17 N ATOM 919 CA LYS A 59 11.133 10.824 -1.016 1.00 0.95 C ATOM 920 C LYS A 59 12.356 11.326 -0.242 1.00 0.91 C ATOM 921 O LYS A 59 12.272 11.627 0.948 1.00 0.99 O ATOM 922 CB LYS A 59 11.211 9.337 -1.395 1.00 0.80 C ATOM 923 CG LYS A 59 9.862 8.726 -1.022 1.00 0.71 C ATOM 924 CD LYS A 59 9.434 7.432 -1.722 1.00 0.89 C ATOM 925 CE LYS A 59 10.458 6.301 -1.781 1.00 0.78 C ATOM 926 NZ LYS A 59 11.458 6.561 -2.835 1.00 1.12 N ATOM 0 H LYS A 59 10.964 11.052 -3.088 1.00 1.17 H new ATOM 0 HA LYS A 59 10.305 10.958 -0.320 1.00 0.95 H new ATOM 0 HB2 LYS A 59 11.410 9.218 -2.460 1.00 0.80 H new ATOM 0 HB3 LYS A 59 12.022 8.842 -0.861 1.00 0.80 H new ATOM 0 HG2 LYS A 59 9.868 8.537 0.052 1.00 0.71 H new ATOM 0 HG3 LYS A 59 9.094 9.476 -1.210 1.00 0.71 H new ATOM 0 HD2 LYS A 59 8.543 7.055 -1.221 1.00 0.89 H new ATOM 0 HD3 LYS A 59 9.145 7.680 -2.743 1.00 0.89 H new ATOM 0 HE2 LYS A 59 10.956 6.203 -0.816 1.00 0.78 H new ATOM 0 HE3 LYS A 59 9.953 5.355 -1.977 1.00 0.78 H new ATOM 0 HZ1 LYS A 59 11.830 5.657 -3.191 1.00 1.12 H new ATOM 0 HZ2 LYS A 59 11.012 7.084 -3.615 1.00 1.12 H new ATOM 0 HZ3 LYS A 59 12.238 7.125 -2.442 1.00 1.12 H new ATOM 940 N MET A 60 13.494 11.414 -0.923 1.00 0.86 N ATOM 941 CA MET A 60 14.736 11.948 -0.384 1.00 0.88 C ATOM 942 C MET A 60 14.475 13.305 0.271 1.00 0.96 C ATOM 943 O MET A 60 14.742 13.462 1.459 1.00 0.96 O ATOM 944 CB MET A 60 15.809 11.997 -1.485 1.00 1.00 C ATOM 945 CG MET A 60 17.192 12.417 -0.971 1.00 1.20 C ATOM 946 SD MET A 60 17.421 14.185 -0.641 1.00 3.28 S ATOM 947 CE MET A 60 19.096 14.169 0.033 1.00 3.48 C ATOM 0 H MET A 60 13.578 11.107 -1.892 1.00 0.86 H new ATOM 0 HA MET A 60 15.123 11.293 0.396 1.00 0.88 H new ATOM 0 HB2 MET A 60 15.886 11.015 -1.951 1.00 1.00 H new ATOM 0 HB3 MET A 60 15.491 12.694 -2.261 1.00 1.00 H new ATOM 0 HG2 MET A 60 17.397 11.868 -0.052 1.00 1.20 H new ATOM 0 HG3 MET A 60 17.938 12.106 -1.702 1.00 1.20 H new ATOM 0 HE1 MET A 60 19.394 15.185 0.290 1.00 3.48 H new ATOM 0 HE2 MET A 60 19.123 13.546 0.927 1.00 3.48 H new ATOM 0 HE3 MET A 60 19.784 13.766 -0.711 1.00 3.48 H new ATOM 957 N LYS A 61 13.907 14.256 -0.480 1.00 1.08 N ATOM 958 CA LYS A 61 13.497 15.560 0.032 1.00 1.20 C ATOM 959 C LYS A 61 12.689 15.387 1.314 1.00 1.22 C ATOM 960 O LYS A 61 13.007 15.973 2.344 1.00 1.26 O ATOM 961 CB LYS A 61 12.607 16.272 -0.985 1.00 1.56 C ATOM 962 CG LYS A 61 13.336 16.808 -2.217 1.00 1.77 C ATOM 963 CD LYS A 61 12.279 16.887 -3.321 1.00 1.77 C ATOM 964 CE LYS A 61 12.612 17.913 -4.409 1.00 2.48 C ATOM 965 NZ LYS A 61 11.803 17.669 -5.618 1.00 2.88 N ATOM 0 H LYS A 61 13.718 14.135 -1.475 1.00 1.08 H new ATOM 0 HA LYS A 61 14.397 16.145 0.222 1.00 1.20 H new ATOM 0 HB2 LYS A 61 11.831 15.581 -1.313 1.00 1.56 H new ATOM 0 HB3 LYS A 61 12.105 17.102 -0.488 1.00 1.56 H new ATOM 0 HG2 LYS A 61 13.770 17.788 -2.020 1.00 1.77 H new ATOM 0 HG3 LYS A 61 14.155 16.149 -2.505 1.00 1.77 H new ATOM 0 HD2 LYS A 61 12.169 15.904 -3.780 1.00 1.77 H new ATOM 0 HD3 LYS A 61 11.317 17.140 -2.875 1.00 1.77 H new ATOM 0 HE2 LYS A 61 12.424 18.920 -4.036 1.00 2.48 H new ATOM 0 HE3 LYS A 61 13.672 17.857 -4.657 1.00 2.48 H new ATOM 0 HZ1 LYS A 61 11.368 18.560 -5.930 1.00 2.88 H new ATOM 0 HZ2 LYS A 61 12.412 17.298 -6.374 1.00 2.88 H new ATOM 0 HZ3 LYS A 61 11.057 16.977 -5.403 1.00 2.88 H new ATOM 979 N SER A 62 11.624 14.588 1.240 1.00 1.28 N ATOM 980 CA SER A 62 10.764 14.318 2.389 1.00 1.45 C ATOM 981 C SER A 62 11.579 13.954 3.638 1.00 1.41 C ATOM 982 O SER A 62 11.257 14.432 4.726 1.00 1.58 O ATOM 983 CB SER A 62 9.714 13.246 2.064 1.00 1.61 C ATOM 984 OG SER A 62 8.688 13.247 3.041 1.00 3.01 O ATOM 0 H SER A 62 11.335 14.112 0.385 1.00 1.28 H new ATOM 0 HA SER A 62 10.229 15.240 2.616 1.00 1.45 H new ATOM 0 HB2 SER A 62 9.287 13.433 1.079 1.00 1.61 H new ATOM 0 HB3 SER A 62 10.187 12.265 2.025 1.00 1.61 H new ATOM 0 HG SER A 62 8.025 12.560 2.820 1.00 3.01 H new ATOM 990 N LEU A 63 12.624 13.124 3.508 1.00 1.28 N ATOM 991 CA LEU A 63 13.518 12.885 4.639 1.00 1.36 C ATOM 992 C LEU A 63 14.307 14.161 4.964 1.00 1.29 C ATOM 993 O LEU A 63 14.299 14.635 6.100 1.00 1.43 O ATOM 994 CB LEU A 63 14.496 11.710 4.420 1.00 1.46 C ATOM 995 CG LEU A 63 13.994 10.283 4.612 1.00 1.81 C ATOM 996 CD1 LEU A 63 12.967 9.895 3.539 1.00 1.97 C ATOM 997 CD2 LEU A 63 15.249 9.408 4.528 1.00 2.77 C ATOM 0 H LEU A 63 12.863 12.621 2.653 1.00 1.28 H new ATOM 0 HA LEU A 63 12.880 12.606 5.478 1.00 1.36 H new ATOM 0 HB2 LEU A 63 14.882 11.789 3.404 1.00 1.46 H new ATOM 0 HB3 LEU A 63 15.340 11.855 5.094 1.00 1.46 H new ATOM 0 HG LEU A 63 13.476 10.162 5.563 1.00 1.81 H new ATOM 0 HD11 LEU A 63 12.632 8.872 3.709 1.00 1.97 H new ATOM 0 HD12 LEU A 63 12.113 10.570 3.592 1.00 1.97 H new ATOM 0 HD13 LEU A 63 13.426 9.968 2.553 1.00 1.97 H new ATOM 0 HD21 LEU A 63 14.972 8.362 4.657 1.00 2.77 H new ATOM 0 HD22 LEU A 63 15.721 9.541 3.555 1.00 2.77 H new ATOM 0 HD23 LEU A 63 15.948 9.698 5.313 1.00 2.77 H new ATOM 1009 N ASP A 64 15.022 14.690 3.969 1.00 1.16 N ATOM 1010 CA ASP A 64 15.971 15.790 4.109 1.00 1.19 C ATOM 1011 C ASP A 64 15.374 16.971 4.881 1.00 1.23 C ATOM 1012 O ASP A 64 16.001 17.506 5.793 1.00 1.36 O ATOM 1013 CB ASP A 64 16.430 16.217 2.711 1.00 1.11 C ATOM 1014 CG ASP A 64 17.457 17.335 2.772 1.00 1.28 C ATOM 1015 OD1 ASP A 64 18.654 16.993 2.887 1.00 2.03 O ATOM 1016 OD2 ASP A 64 17.026 18.503 2.676 1.00 2.22 O ATOM 0 H ASP A 64 14.952 14.350 3.010 1.00 1.16 H new ATOM 0 HA ASP A 64 16.826 15.448 4.692 1.00 1.19 H new ATOM 0 HB2 ASP A 64 16.857 15.359 2.191 1.00 1.11 H new ATOM 0 HB3 ASP A 64 15.568 16.546 2.130 1.00 1.11 H new ATOM 1021 N VAL A 65 14.140 17.342 4.530 1.00 1.19 N ATOM 1022 CA VAL A 65 13.430 18.483 5.091 1.00 1.24 C ATOM 1023 C VAL A 65 13.312 18.344 6.607 1.00 1.23 C ATOM 1024 O VAL A 65 13.857 19.149 7.356 1.00 1.38 O ATOM 1025 CB VAL A 65 12.047 18.601 4.422 1.00 1.28 C ATOM 1026 CG1 VAL A 65 11.128 19.617 5.113 1.00 2.13 C ATOM 1027 CG2 VAL A 65 12.217 19.038 2.968 1.00 1.80 C ATOM 0 H VAL A 65 13.597 16.840 3.828 1.00 1.19 H new ATOM 0 HA VAL A 65 13.989 19.398 4.892 1.00 1.24 H new ATOM 0 HB VAL A 65 11.584 17.617 4.498 1.00 1.28 H new ATOM 0 HG11 VAL A 65 10.170 19.653 4.594 1.00 2.13 H new ATOM 0 HG12 VAL A 65 10.969 19.318 6.149 1.00 2.13 H new ATOM 0 HG13 VAL A 65 11.592 20.603 5.088 1.00 2.13 H new ATOM 0 HG21 VAL A 65 11.238 19.121 2.496 1.00 1.80 H new ATOM 0 HG22 VAL A 65 12.719 20.005 2.935 1.00 1.80 H new ATOM 0 HG23 VAL A 65 12.816 18.300 2.434 1.00 1.80 H new ATOM 1037 N ASN A 66 12.541 17.350 7.052 1.00 1.10 N ATOM 1038 CA ASN A 66 12.268 17.131 8.474 1.00 1.08 C ATOM 1039 C ASN A 66 11.926 15.667 8.743 1.00 0.96 C ATOM 1040 O ASN A 66 10.848 15.351 9.244 1.00 0.94 O ATOM 1041 CB ASN A 66 11.155 18.068 8.988 1.00 1.19 C ATOM 1042 CG ASN A 66 11.652 19.472 9.318 1.00 1.69 C ATOM 1043 OD1 ASN A 66 12.422 19.656 10.255 1.00 2.64 O ATOM 1044 ND2 ASN A 66 11.186 20.487 8.594 1.00 2.16 N ATOM 0 H ASN A 66 12.088 16.674 6.437 1.00 1.10 H new ATOM 0 HA ASN A 66 13.176 17.372 9.027 1.00 1.08 H new ATOM 0 HB2 ASN A 66 10.370 18.136 8.235 1.00 1.19 H new ATOM 0 HB3 ASN A 66 10.705 17.631 9.879 1.00 1.19 H new ATOM 0 HD21 ASN A 66 11.468 21.442 8.814 1.00 2.16 H new ATOM 0 HD22 ASN A 66 10.547 20.310 7.819 1.00 2.16 H new ATOM 1051 N GLN A 67 12.864 14.765 8.450 1.00 0.96 N ATOM 1052 CA GLN A 67 12.750 13.343 8.721 1.00 0.95 C ATOM 1053 C GLN A 67 12.194 13.013 10.118 1.00 1.07 C ATOM 1054 O GLN A 67 11.350 12.126 10.269 1.00 1.24 O ATOM 1055 CB GLN A 67 14.097 12.656 8.439 1.00 1.03 C ATOM 1056 CG GLN A 67 15.357 13.438 8.871 1.00 1.07 C ATOM 1057 CD GLN A 67 15.624 13.313 10.360 1.00 2.85 C ATOM 1058 OE1 GLN A 67 15.793 12.200 10.849 1.00 4.27 O ATOM 1059 NE2 GLN A 67 15.647 14.434 11.069 1.00 3.38 N ATOM 0 H GLN A 67 13.747 15.017 8.005 1.00 0.96 H new ATOM 0 HA GLN A 67 12.000 12.940 8.041 1.00 0.95 H new ATOM 0 HB2 GLN A 67 14.102 11.690 8.943 1.00 1.03 H new ATOM 0 HB3 GLN A 67 14.165 12.458 7.369 1.00 1.03 H new ATOM 0 HG2 GLN A 67 16.220 13.069 8.316 1.00 1.07 H new ATOM 0 HG3 GLN A 67 15.237 14.490 8.612 1.00 1.07 H new ATOM 0 HE21 GLN A 67 15.500 15.332 10.608 1.00 3.38 H new ATOM 0 HE22 GLN A 67 15.812 14.398 12.075 1.00 3.38 H new ATOM 1068 N ASP A 68 12.652 13.748 11.134 1.00 1.19 N ATOM 1069 CA ASP A 68 12.209 13.623 12.523 1.00 1.35 C ATOM 1070 C ASP A 68 10.684 13.707 12.687 1.00 1.34 C ATOM 1071 O ASP A 68 10.142 13.206 13.669 1.00 1.65 O ATOM 1072 CB ASP A 68 12.892 14.699 13.387 1.00 1.51 C ATOM 1073 CG ASP A 68 14.093 14.154 14.147 1.00 2.33 C ATOM 1074 OD1 ASP A 68 13.858 13.481 15.171 1.00 3.62 O ATOM 1075 OD2 ASP A 68 15.224 14.424 13.688 1.00 2.87 O ATOM 0 H ASP A 68 13.363 14.468 11.008 1.00 1.19 H new ATOM 0 HA ASP A 68 12.501 12.627 12.857 1.00 1.35 H new ATOM 0 HB2 ASP A 68 13.212 15.524 12.750 1.00 1.51 H new ATOM 0 HB3 ASP A 68 12.170 15.105 14.096 1.00 1.51 H new ATOM 1080 N SER A 69 9.977 14.346 11.746 1.00 1.15 N ATOM 1081 CA SER A 69 8.532 14.549 11.820 1.00 1.28 C ATOM 1082 C SER A 69 7.756 13.237 11.965 1.00 1.53 C ATOM 1083 O SER A 69 6.689 13.235 12.579 1.00 3.27 O ATOM 1084 CB SER A 69 8.074 15.369 10.606 1.00 1.23 C ATOM 1085 OG SER A 69 6.713 15.737 10.706 1.00 2.20 O ATOM 0 H SER A 69 10.400 14.739 10.905 1.00 1.15 H new ATOM 0 HA SER A 69 8.309 15.110 12.728 1.00 1.28 H new ATOM 0 HB2 SER A 69 8.688 16.266 10.520 1.00 1.23 H new ATOM 0 HB3 SER A 69 8.228 14.789 9.696 1.00 1.23 H new ATOM 0 HG SER A 69 6.456 16.259 9.917 1.00 2.20 H new ATOM 1091 N GLU A 70 8.313 12.144 11.437 1.00 1.23 N ATOM 1092 CA GLU A 70 7.832 10.785 11.633 1.00 1.11 C ATOM 1093 C GLU A 70 6.511 10.489 10.911 1.00 0.82 C ATOM 1094 O GLU A 70 5.505 11.183 11.093 1.00 1.44 O ATOM 1095 CB GLU A 70 7.840 10.410 13.122 1.00 1.67 C ATOM 1096 CG GLU A 70 7.061 9.119 13.361 1.00 2.42 C ATOM 1097 CD GLU A 70 7.401 8.504 14.701 1.00 3.54 C ATOM 1098 OE1 GLU A 70 8.525 7.967 14.805 1.00 5.14 O ATOM 1099 OE2 GLU A 70 6.519 8.575 15.588 1.00 3.56 O ATOM 0 H GLU A 70 9.140 12.189 10.841 1.00 1.23 H new ATOM 0 HA GLU A 70 8.539 10.116 11.142 1.00 1.11 H new ATOM 0 HB2 GLU A 70 8.867 10.289 13.465 1.00 1.67 H new ATOM 0 HB3 GLU A 70 7.401 11.218 13.707 1.00 1.67 H new ATOM 0 HG2 GLU A 70 5.992 9.325 13.315 1.00 2.42 H new ATOM 0 HG3 GLU A 70 7.283 8.407 12.566 1.00 2.42 H new ATOM 1106 N LEU A 71 6.515 9.431 10.088 1.00 0.94 N ATOM 1107 CA LEU A 71 5.404 9.157 9.192 1.00 0.90 C ATOM 1108 C LEU A 71 4.447 8.142 9.805 1.00 0.94 C ATOM 1109 O LEU A 71 4.728 7.517 10.828 1.00 1.23 O ATOM 1110 CB LEU A 71 5.867 8.836 7.761 1.00 1.56 C ATOM 1111 CG LEU A 71 6.956 7.778 7.573 1.00 1.04 C ATOM 1112 CD1 LEU A 71 6.417 6.386 7.897 1.00 2.23 C ATOM 1113 CD2 LEU A 71 7.375 7.800 6.101 1.00 2.06 C ATOM 0 H LEU A 71 7.278 8.757 10.031 1.00 0.94 H new ATOM 0 HA LEU A 71 4.822 10.071 9.074 1.00 0.90 H new ATOM 0 HB2 LEU A 71 4.993 8.519 7.192 1.00 1.56 H new ATOM 0 HB3 LEU A 71 6.222 9.763 7.310 1.00 1.56 H new ATOM 0 HG LEU A 71 7.793 7.995 8.236 1.00 1.04 H new ATOM 0 HD11 LEU A 71 7.207 5.648 7.757 1.00 2.23 H new ATOM 0 HD12 LEU A 71 6.075 6.360 8.932 1.00 2.23 H new ATOM 0 HD13 LEU A 71 5.583 6.155 7.234 1.00 2.23 H new ATOM 0 HD21 LEU A 71 8.153 7.055 5.933 1.00 2.06 H new ATOM 0 HD22 LEU A 71 6.513 7.573 5.474 1.00 2.06 H new ATOM 0 HD23 LEU A 71 7.758 8.788 5.847 1.00 2.06 H new ATOM 1125 N LYS A 72 3.258 8.070 9.212 1.00 0.83 N ATOM 1126 CA LYS A 72 2.129 7.276 9.639 1.00 0.91 C ATOM 1127 C LYS A 72 1.817 6.331 8.476 1.00 0.89 C ATOM 1128 O LYS A 72 2.444 6.409 7.418 1.00 0.95 O ATOM 1129 CB LYS A 72 0.943 8.193 9.986 1.00 1.03 C ATOM 1130 CG LYS A 72 1.189 9.199 11.134 1.00 1.09 C ATOM 1131 CD LYS A 72 2.165 10.329 10.755 1.00 1.71 C ATOM 1132 CE LYS A 72 2.037 11.618 11.570 1.00 1.86 C ATOM 1133 NZ LYS A 72 2.808 11.540 12.827 1.00 2.84 N ATOM 0 H LYS A 72 3.053 8.602 8.366 1.00 0.83 H new ATOM 0 HA LYS A 72 2.339 6.702 10.541 1.00 0.91 H new ATOM 0 HB2 LYS A 72 0.665 8.751 9.092 1.00 1.03 H new ATOM 0 HB3 LYS A 72 0.090 7.569 10.251 1.00 1.03 H new ATOM 0 HG2 LYS A 72 0.237 9.636 11.435 1.00 1.09 H new ATOM 0 HG3 LYS A 72 1.582 8.664 11.999 1.00 1.09 H new ATOM 0 HD2 LYS A 72 3.183 9.955 10.859 1.00 1.71 H new ATOM 0 HD3 LYS A 72 2.021 10.571 9.702 1.00 1.71 H new ATOM 0 HE2 LYS A 72 2.390 12.462 10.977 1.00 1.86 H new ATOM 0 HE3 LYS A 72 0.987 11.804 11.796 1.00 1.86 H new ATOM 0 HZ1 LYS A 72 2.687 12.422 13.364 1.00 2.84 H new ATOM 0 HZ2 LYS A 72 2.466 10.739 13.395 1.00 2.84 H new ATOM 0 HZ3 LYS A 72 3.816 11.404 12.608 1.00 2.84 H new ATOM 1147 N PHE A 73 0.882 5.407 8.677 1.00 0.91 N ATOM 1148 CA PHE A 73 0.597 4.334 7.731 1.00 0.95 C ATOM 1149 C PHE A 73 0.251 4.858 6.330 1.00 0.86 C ATOM 1150 O PHE A 73 0.761 4.335 5.342 1.00 0.81 O ATOM 1151 CB PHE A 73 -0.469 3.394 8.312 1.00 1.21 C ATOM 1152 CG PHE A 73 -1.593 4.078 9.062 1.00 0.97 C ATOM 1153 CD1 PHE A 73 -2.709 4.571 8.365 1.00 1.99 C ATOM 1154 CD2 PHE A 73 -1.491 4.271 10.455 1.00 2.33 C ATOM 1155 CE1 PHE A 73 -3.698 5.288 9.055 1.00 2.51 C ATOM 1156 CE2 PHE A 73 -2.467 5.018 11.135 1.00 2.62 C ATOM 1157 CZ PHE A 73 -3.573 5.527 10.434 1.00 2.19 C ATOM 0 H PHE A 73 0.295 5.382 9.511 1.00 0.91 H new ATOM 0 HA PHE A 73 1.506 3.750 7.587 1.00 0.95 H new ATOM 0 HB2 PHE A 73 -0.899 2.811 7.498 1.00 1.21 H new ATOM 0 HB3 PHE A 73 0.019 2.689 8.985 1.00 1.21 H new ATOM 0 HD1 PHE A 73 -2.805 4.399 7.303 1.00 1.99 H new ATOM 0 HD2 PHE A 73 -0.662 3.844 11.000 1.00 2.33 H new ATOM 0 HE1 PHE A 73 -4.561 5.659 8.523 1.00 2.51 H new ATOM 0 HE2 PHE A 73 -2.367 5.201 12.195 1.00 2.62 H new ATOM 0 HZ PHE A 73 -4.326 6.101 10.954 1.00 2.19 H new ATOM 1167 N ASN A 74 -0.587 5.892 6.228 1.00 0.90 N ATOM 1168 CA ASN A 74 -0.944 6.500 4.945 1.00 0.93 C ATOM 1169 C ASN A 74 0.287 7.073 4.228 1.00 0.80 C ATOM 1170 O ASN A 74 0.528 6.776 3.058 1.00 0.90 O ATOM 1171 CB ASN A 74 -2.027 7.563 5.154 1.00 1.09 C ATOM 1172 CG ASN A 74 -2.031 8.582 4.017 1.00 2.13 C ATOM 1173 OD1 ASN A 74 -2.500 8.303 2.921 1.00 3.67 O ATOM 1174 ND2 ASN A 74 -1.496 9.772 4.264 1.00 2.71 N ATOM 0 H ASN A 74 -1.037 6.331 7.032 1.00 0.90 H new ATOM 0 HA ASN A 74 -1.347 5.724 4.295 1.00 0.93 H new ATOM 0 HB2 ASN A 74 -3.003 7.083 5.218 1.00 1.09 H new ATOM 0 HB3 ASN A 74 -1.860 8.074 6.102 1.00 1.09 H new ATOM 0 HD21 ASN A 74 -1.469 10.481 3.531 1.00 2.71 H new ATOM 0 HD22 ASN A 74 -1.113 9.977 5.187 1.00 2.71 H new ATOM 1181 N GLU A 75 1.051 7.921 4.917 1.00 0.64 N ATOM 1182 CA GLU A 75 2.252 8.542 4.385 1.00 0.58 C ATOM 1183 C GLU A 75 3.256 7.473 3.940 1.00 0.50 C ATOM 1184 O GLU A 75 3.758 7.529 2.818 1.00 0.49 O ATOM 1185 CB GLU A 75 2.841 9.507 5.420 1.00 0.71 C ATOM 1186 CG GLU A 75 1.967 10.752 5.656 1.00 1.50 C ATOM 1187 CD GLU A 75 0.891 10.571 6.720 1.00 3.08 C ATOM 1188 OE1 GLU A 75 -0.001 9.722 6.500 1.00 4.51 O ATOM 1189 OE2 GLU A 75 0.973 11.285 7.739 1.00 3.72 O ATOM 0 H GLU A 75 0.844 8.197 5.877 1.00 0.64 H new ATOM 0 HA GLU A 75 2.001 9.126 3.500 1.00 0.58 H new ATOM 0 HB2 GLU A 75 2.973 8.980 6.365 1.00 0.71 H new ATOM 0 HB3 GLU A 75 3.831 9.823 5.090 1.00 0.71 H new ATOM 0 HG2 GLU A 75 2.610 11.584 5.944 1.00 1.50 H new ATOM 0 HG3 GLU A 75 1.489 11.029 4.716 1.00 1.50 H new ATOM 1196 N TYR A 76 3.513 6.475 4.794 1.00 0.54 N ATOM 1197 CA TYR A 76 4.239 5.270 4.405 1.00 0.57 C ATOM 1198 C TYR A 76 3.711 4.780 3.059 1.00 0.53 C ATOM 1199 O TYR A 76 4.471 4.655 2.104 1.00 0.55 O ATOM 1200 CB TYR A 76 4.105 4.206 5.508 1.00 0.71 C ATOM 1201 CG TYR A 76 4.384 2.764 5.120 1.00 0.87 C ATOM 1202 CD1 TYR A 76 3.380 1.982 4.517 1.00 2.00 C ATOM 1203 CD2 TYR A 76 5.600 2.162 5.485 1.00 1.82 C ATOM 1204 CE1 TYR A 76 3.649 0.653 4.156 1.00 2.24 C ATOM 1205 CE2 TYR A 76 5.876 0.836 5.108 1.00 1.90 C ATOM 1206 CZ TYR A 76 4.900 0.085 4.431 1.00 1.45 C ATOM 1207 OH TYR A 76 5.159 -1.188 4.022 1.00 1.83 O ATOM 0 H TYR A 76 3.222 6.484 5.772 1.00 0.54 H new ATOM 0 HA TYR A 76 5.302 5.484 4.289 1.00 0.57 H new ATOM 0 HB2 TYR A 76 4.781 4.474 6.320 1.00 0.71 H new ATOM 0 HB3 TYR A 76 3.092 4.258 5.907 1.00 0.71 H new ATOM 0 HD1 TYR A 76 2.404 2.405 4.333 1.00 2.00 H new ATOM 0 HD2 TYR A 76 6.326 2.720 6.058 1.00 1.82 H new ATOM 0 HE1 TYR A 76 2.888 0.065 3.664 1.00 2.24 H new ATOM 0 HE2 TYR A 76 6.835 0.396 5.338 1.00 1.90 H new ATOM 0 HH TYR A 76 5.924 -1.186 3.410 1.00 1.83 H new ATOM 1217 N TRP A 77 2.401 4.537 2.989 1.00 0.57 N ATOM 1218 CA TRP A 77 1.738 4.000 1.818 1.00 0.56 C ATOM 1219 C TRP A 77 2.152 4.691 0.519 1.00 0.49 C ATOM 1220 O TRP A 77 2.846 4.100 -0.304 1.00 0.53 O ATOM 1221 CB TRP A 77 0.228 4.067 2.015 1.00 0.59 C ATOM 1222 CG TRP A 77 -0.414 2.828 1.574 1.00 0.63 C ATOM 1223 CD1 TRP A 77 -0.684 2.526 0.296 1.00 0.66 C ATOM 1224 CD2 TRP A 77 -0.933 1.748 2.384 1.00 0.64 C ATOM 1225 NE1 TRP A 77 -1.275 1.297 0.245 1.00 0.68 N ATOM 1226 CE2 TRP A 77 -1.528 0.807 1.505 1.00 0.66 C ATOM 1227 CE3 TRP A 77 -1.058 1.515 3.768 1.00 0.64 C ATOM 1228 CZ2 TRP A 77 -2.237 -0.295 1.972 1.00 0.66 C ATOM 1229 CZ3 TRP A 77 -1.748 0.384 4.231 1.00 0.67 C ATOM 1230 CH2 TRP A 77 -2.307 -0.532 3.345 1.00 0.68 C ATOM 0 H TRP A 77 1.765 4.715 3.766 1.00 0.57 H new ATOM 0 HA TRP A 77 2.052 2.962 1.713 1.00 0.56 H new ATOM 0 HB2 TRP A 77 0.002 4.243 3.067 1.00 0.59 H new ATOM 0 HB3 TRP A 77 -0.178 4.910 1.456 1.00 0.59 H new ATOM 0 HD1 TRP A 77 -0.469 3.154 -0.556 1.00 0.66 H new ATOM 0 HE1 TRP A 77 -1.501 0.804 -0.619 1.00 0.68 H new ATOM 0 HE3 TRP A 77 -0.622 2.207 4.473 1.00 0.64 H new ATOM 0 HZ2 TRP A 77 -2.729 -0.961 1.278 1.00 0.66 H new ATOM 0 HZ3 TRP A 77 -1.847 0.222 5.294 1.00 0.67 H new ATOM 0 HH2 TRP A 77 -2.792 -1.422 3.718 1.00 0.68 H new ATOM 1241 N ARG A 78 1.703 5.929 0.312 1.00 0.46 N ATOM 1242 CA ARG A 78 2.023 6.701 -0.881 1.00 0.51 C ATOM 1243 C ARG A 78 3.529 6.662 -1.194 1.00 0.53 C ATOM 1244 O ARG A 78 3.905 6.446 -2.346 1.00 0.62 O ATOM 1245 CB ARG A 78 1.404 8.108 -0.769 1.00 0.76 C ATOM 1246 CG ARG A 78 1.663 8.905 0.515 1.00 1.08 C ATOM 1247 CD ARG A 78 0.401 9.682 0.940 1.00 1.98 C ATOM 1248 NE ARG A 78 0.057 10.767 0.003 1.00 2.60 N ATOM 1249 CZ ARG A 78 -1.120 11.423 -0.009 1.00 3.96 C ATOM 1250 NH1 ARG A 78 -2.215 10.887 0.531 1.00 4.94 N ATOM 1251 NH2 ARG A 78 -1.204 12.637 -0.559 1.00 4.94 N ATOM 0 H ARG A 78 1.104 6.424 0.973 1.00 0.46 H new ATOM 0 HA ARG A 78 1.567 6.245 -1.759 1.00 0.51 H new ATOM 0 HB2 ARG A 78 1.766 8.701 -1.609 1.00 0.76 H new ATOM 0 HB3 ARG A 78 0.325 8.009 -0.890 1.00 0.76 H new ATOM 0 HG2 ARG A 78 1.965 8.228 1.314 1.00 1.08 H new ATOM 0 HG3 ARG A 78 2.488 9.600 0.357 1.00 1.08 H new ATOM 0 HD2 ARG A 78 -0.439 8.991 1.013 1.00 1.98 H new ATOM 0 HD3 ARG A 78 0.555 10.102 1.934 1.00 1.98 H new ATOM 0 HE ARG A 78 0.759 11.040 -0.684 1.00 2.60 H new ATOM 0 HH11 ARG A 78 -2.171 9.964 0.963 1.00 4.94 H new ATOM 0 HH12 ARG A 78 -3.097 11.400 0.512 1.00 4.94 H new ATOM 0 HH21 ARG A 78 -0.377 13.069 -0.971 1.00 4.94 H new ATOM 0 HH22 ARG A 78 -2.096 13.132 -0.567 1.00 4.94 H new ATOM 1265 N LEU A 79 4.394 6.769 -0.177 1.00 0.53 N ATOM 1266 CA LEU A 79 5.835 6.644 -0.379 1.00 0.61 C ATOM 1267 C LEU A 79 6.236 5.248 -0.893 1.00 0.59 C ATOM 1268 O LEU A 79 7.050 5.152 -1.813 1.00 0.64 O ATOM 1269 CB LEU A 79 6.606 7.028 0.894 1.00 0.70 C ATOM 1270 CG LEU A 79 6.799 8.546 1.093 1.00 0.83 C ATOM 1271 CD1 LEU A 79 5.597 9.432 0.742 1.00 0.95 C ATOM 1272 CD2 LEU A 79 7.219 8.816 2.542 1.00 0.98 C ATOM 0 H LEU A 79 4.118 6.941 0.790 1.00 0.53 H new ATOM 0 HA LEU A 79 6.113 7.350 -1.162 1.00 0.61 H new ATOM 0 HB2 LEU A 79 6.078 6.625 1.758 1.00 0.70 H new ATOM 0 HB3 LEU A 79 7.586 6.551 0.868 1.00 0.70 H new ATOM 0 HG LEU A 79 7.572 8.826 0.377 1.00 0.83 H new ATOM 0 HD11 LEU A 79 5.850 10.477 0.922 1.00 0.95 H new ATOM 0 HD12 LEU A 79 5.340 9.297 -0.308 1.00 0.95 H new ATOM 0 HD13 LEU A 79 4.746 9.153 1.363 1.00 0.95 H new ATOM 0 HD21 LEU A 79 7.357 9.887 2.687 1.00 0.98 H new ATOM 0 HD22 LEU A 79 6.445 8.455 3.219 1.00 0.98 H new ATOM 0 HD23 LEU A 79 8.155 8.298 2.752 1.00 0.98 H new ATOM 1284 N ILE A 80 5.705 4.143 -0.350 1.00 0.57 N ATOM 1285 CA ILE A 80 6.027 2.843 -0.948 1.00 0.61 C ATOM 1286 C ILE A 80 5.414 2.739 -2.350 1.00 0.61 C ATOM 1287 O ILE A 80 5.940 2.020 -3.189 1.00 0.61 O ATOM 1288 CB ILE A 80 5.728 1.603 -0.070 1.00 0.65 C ATOM 1289 CG1 ILE A 80 4.321 1.047 -0.299 1.00 0.83 C ATOM 1290 CG2 ILE A 80 5.943 1.866 1.415 1.00 0.60 C ATOM 1291 CD1 ILE A 80 3.942 -0.222 0.464 1.00 0.67 C ATOM 0 H ILE A 80 5.084 4.119 0.459 1.00 0.57 H new ATOM 0 HA ILE A 80 7.114 2.819 -1.029 1.00 0.61 H new ATOM 0 HB ILE A 80 6.450 0.851 -0.388 1.00 0.65 H new ATOM 0 HG12 ILE A 80 3.603 1.825 -0.039 1.00 0.83 H new ATOM 0 HG13 ILE A 80 4.205 0.849 -1.364 1.00 0.83 H new ATOM 0 HG21 ILE A 80 5.718 0.962 1.981 1.00 0.60 H new ATOM 0 HG22 ILE A 80 6.980 2.153 1.587 1.00 0.60 H new ATOM 0 HG23 ILE A 80 5.285 2.671 1.741 1.00 0.60 H new ATOM 0 HD11 ILE A 80 2.921 -0.507 0.211 1.00 0.67 H new ATOM 0 HD12 ILE A 80 4.623 -1.028 0.190 1.00 0.67 H new ATOM 0 HD13 ILE A 80 4.012 -0.037 1.536 1.00 0.67 H new ATOM 1303 N GLY A 81 4.310 3.443 -2.616 1.00 0.61 N ATOM 1304 CA GLY A 81 3.755 3.585 -3.956 1.00 0.62 C ATOM 1305 C GLY A 81 4.806 4.100 -4.925 1.00 0.62 C ATOM 1306 O GLY A 81 5.112 3.454 -5.929 1.00 0.64 O ATOM 0 H GLY A 81 3.775 3.933 -1.898 1.00 0.61 H new ATOM 0 HA2 GLY A 81 3.376 2.623 -4.301 1.00 0.62 H new ATOM 0 HA3 GLY A 81 2.908 4.271 -3.933 1.00 0.62 H new ATOM 1310 N GLU A 82 5.387 5.253 -4.589 1.00 0.66 N ATOM 1311 CA GLU A 82 6.535 5.777 -5.305 1.00 0.66 C ATOM 1312 C GLU A 82 7.609 4.694 -5.441 1.00 0.67 C ATOM 1313 O GLU A 82 8.079 4.431 -6.545 1.00 0.72 O ATOM 1314 CB GLU A 82 7.078 7.001 -4.572 1.00 0.57 C ATOM 1315 CG GLU A 82 6.122 8.194 -4.624 1.00 0.80 C ATOM 1316 CD GLU A 82 6.762 9.398 -3.951 1.00 1.73 C ATOM 1317 OE1 GLU A 82 6.991 9.304 -2.726 1.00 2.63 O ATOM 1318 OE2 GLU A 82 7.052 10.362 -4.690 1.00 2.69 O ATOM 0 H GLU A 82 5.072 5.841 -3.817 1.00 0.66 H new ATOM 0 HA GLU A 82 6.234 6.079 -6.308 1.00 0.66 H new ATOM 0 HB2 GLU A 82 7.270 6.740 -3.531 1.00 0.57 H new ATOM 0 HB3 GLU A 82 8.034 7.287 -5.011 1.00 0.57 H new ATOM 0 HG2 GLU A 82 5.879 8.432 -5.660 1.00 0.80 H new ATOM 0 HG3 GLU A 82 5.185 7.943 -4.126 1.00 0.80 H new ATOM 1325 N LEU A 83 7.970 4.029 -4.341 1.00 0.67 N ATOM 1326 CA LEU A 83 9.001 2.994 -4.355 1.00 0.73 C ATOM 1327 C LEU A 83 8.705 1.882 -5.381 1.00 0.71 C ATOM 1328 O LEU A 83 9.555 1.557 -6.211 1.00 0.79 O ATOM 1329 CB LEU A 83 9.201 2.448 -2.937 1.00 0.82 C ATOM 1330 CG LEU A 83 10.561 1.772 -2.711 1.00 1.19 C ATOM 1331 CD1 LEU A 83 11.749 2.741 -2.790 1.00 2.59 C ATOM 1332 CD2 LEU A 83 10.539 1.170 -1.306 1.00 1.63 C ATOM 0 H LEU A 83 7.558 4.193 -3.422 1.00 0.67 H new ATOM 0 HA LEU A 83 9.938 3.445 -4.684 1.00 0.73 H new ATOM 0 HB2 LEU A 83 9.092 3.266 -2.225 1.00 0.82 H new ATOM 0 HB3 LEU A 83 8.410 1.730 -2.721 1.00 0.82 H new ATOM 0 HG LEU A 83 10.699 1.031 -3.499 1.00 1.19 H new ATOM 0 HD11 LEU A 83 12.677 2.194 -2.621 1.00 2.59 H new ATOM 0 HD12 LEU A 83 11.776 3.204 -3.776 1.00 2.59 H new ATOM 0 HD13 LEU A 83 11.639 3.514 -2.029 1.00 2.59 H new ATOM 0 HD21 LEU A 83 11.491 0.678 -1.106 1.00 1.63 H new ATOM 0 HD22 LEU A 83 10.378 1.961 -0.574 1.00 1.63 H new ATOM 0 HD23 LEU A 83 9.732 0.441 -1.235 1.00 1.63 H new ATOM 1344 N ALA A 84 7.495 1.309 -5.365 1.00 0.65 N ATOM 1345 CA ALA A 84 7.050 0.301 -6.319 1.00 0.68 C ATOM 1346 C ALA A 84 7.212 0.757 -7.775 1.00 0.67 C ATOM 1347 O ALA A 84 7.415 -0.074 -8.667 1.00 0.77 O ATOM 1348 CB ALA A 84 5.582 -0.033 -6.034 1.00 0.68 C ATOM 0 H ALA A 84 6.786 1.543 -4.670 1.00 0.65 H new ATOM 0 HA ALA A 84 7.677 -0.582 -6.195 1.00 0.68 H new ATOM 0 HB1 ALA A 84 5.236 -0.787 -6.742 1.00 0.68 H new ATOM 0 HB2 ALA A 84 5.487 -0.418 -5.019 1.00 0.68 H new ATOM 0 HB3 ALA A 84 4.977 0.868 -6.139 1.00 0.68 H new ATOM 1354 N LYS A 85 7.072 2.064 -8.016 1.00 0.64 N ATOM 1355 CA LYS A 85 7.237 2.696 -9.316 1.00 0.73 C ATOM 1356 C LYS A 85 8.720 2.926 -9.641 1.00 0.80 C ATOM 1357 O LYS A 85 9.137 2.684 -10.771 1.00 0.95 O ATOM 1358 CB LYS A 85 6.363 3.960 -9.333 1.00 0.91 C ATOM 1359 CG LYS A 85 6.595 4.941 -10.489 1.00 1.27 C ATOM 1360 CD LYS A 85 7.721 5.936 -10.164 1.00 1.70 C ATOM 1361 CE LYS A 85 7.660 7.144 -11.104 1.00 2.25 C ATOM 1362 NZ LYS A 85 8.711 8.127 -10.775 1.00 2.98 N ATOM 0 H LYS A 85 6.832 2.729 -7.281 1.00 0.64 H new ATOM 0 HA LYS A 85 6.895 2.048 -10.124 1.00 0.73 H new ATOM 0 HB2 LYS A 85 5.318 3.651 -9.353 1.00 0.91 H new ATOM 0 HB3 LYS A 85 6.519 4.495 -8.396 1.00 0.91 H new ATOM 0 HG2 LYS A 85 6.847 4.387 -11.393 1.00 1.27 H new ATOM 0 HG3 LYS A 85 5.674 5.486 -10.696 1.00 1.27 H new ATOM 0 HD2 LYS A 85 7.633 6.268 -9.130 1.00 1.70 H new ATOM 0 HD3 LYS A 85 8.688 5.443 -10.259 1.00 1.70 H new ATOM 0 HE2 LYS A 85 7.778 6.812 -12.136 1.00 2.25 H new ATOM 0 HE3 LYS A 85 6.680 7.616 -11.031 1.00 2.25 H new ATOM 0 HZ1 LYS A 85 8.499 9.032 -11.242 1.00 2.98 H new ATOM 0 HZ2 LYS A 85 8.744 8.268 -9.745 1.00 2.98 H new ATOM 0 HZ3 LYS A 85 9.632 7.775 -11.106 1.00 2.98 H new ATOM 1376 N GLU A 86 9.510 3.403 -8.674 1.00 0.78 N ATOM 1377 CA GLU A 86 10.961 3.540 -8.749 1.00 0.89 C ATOM 1378 C GLU A 86 11.580 2.198 -9.149 1.00 0.93 C ATOM 1379 O GLU A 86 12.066 2.044 -10.269 1.00 1.00 O ATOM 1380 CB GLU A 86 11.470 4.009 -7.383 1.00 0.96 C ATOM 1381 CG GLU A 86 11.224 5.508 -7.166 1.00 1.22 C ATOM 1382 CD GLU A 86 11.286 5.879 -5.695 1.00 1.36 C ATOM 1383 OE1 GLU A 86 12.148 5.348 -4.966 1.00 1.98 O ATOM 1384 OE2 GLU A 86 10.471 6.718 -5.255 1.00 2.21 O ATOM 0 H GLU A 86 9.135 3.717 -7.779 1.00 0.78 H new ATOM 0 HA GLU A 86 11.246 4.274 -9.503 1.00 0.89 H new ATOM 0 HB2 GLU A 86 10.973 3.442 -6.596 1.00 0.96 H new ATOM 0 HB3 GLU A 86 12.537 3.800 -7.302 1.00 0.96 H new ATOM 0 HG2 GLU A 86 11.968 6.083 -7.718 1.00 1.22 H new ATOM 0 HG3 GLU A 86 10.248 5.779 -7.569 1.00 1.22 H new ATOM 1391 N ILE A 87 11.552 1.212 -8.251 1.00 0.94 N ATOM 1392 CA ILE A 87 12.069 -0.110 -8.561 1.00 1.02 C ATOM 1393 C ILE A 87 10.981 -0.863 -9.326 1.00 0.97 C ATOM 1394 O ILE A 87 10.049 -1.431 -8.749 1.00 1.01 O ATOM 1395 CB ILE A 87 12.622 -0.830 -7.311 1.00 1.13 C ATOM 1396 CG1 ILE A 87 12.984 -2.302 -7.581 1.00 1.19 C ATOM 1397 CG2 ILE A 87 11.708 -0.757 -6.081 1.00 1.58 C ATOM 1398 CD1 ILE A 87 13.957 -2.479 -8.751 1.00 1.47 C ATOM 0 H ILE A 87 11.177 1.309 -7.308 1.00 0.94 H new ATOM 0 HA ILE A 87 12.946 -0.050 -9.206 1.00 1.02 H new ATOM 0 HB ILE A 87 13.529 -0.272 -7.080 1.00 1.13 H new ATOM 0 HG12 ILE A 87 13.425 -2.732 -6.682 1.00 1.19 H new ATOM 0 HG13 ILE A 87 12.072 -2.862 -7.787 1.00 1.19 H new ATOM 0 HG21 ILE A 87 12.173 -1.288 -5.250 1.00 1.58 H new ATOM 0 HG22 ILE A 87 11.553 0.286 -5.804 1.00 1.58 H new ATOM 0 HG23 ILE A 87 10.748 -1.217 -6.314 1.00 1.58 H new ATOM 0 HD11 ILE A 87 14.171 -3.539 -8.889 1.00 1.47 H new ATOM 0 HD12 ILE A 87 13.509 -2.078 -9.660 1.00 1.47 H new ATOM 0 HD13 ILE A 87 14.884 -1.946 -8.537 1.00 1.47 H new ATOM 1410 N ARG A 88 11.105 -0.904 -10.656 1.00 0.99 N ATOM 1411 CA ARG A 88 10.096 -1.494 -11.524 1.00 1.06 C ATOM 1412 C ARG A 88 10.257 -3.018 -11.553 1.00 1.03 C ATOM 1413 O ARG A 88 10.366 -3.622 -12.615 1.00 1.34 O ATOM 1414 CB ARG A 88 10.207 -0.899 -12.938 1.00 1.22 C ATOM 1415 CG ARG A 88 9.917 0.609 -12.952 1.00 2.16 C ATOM 1416 CD ARG A 88 9.979 1.195 -14.369 1.00 2.17 C ATOM 1417 NE ARG A 88 8.900 0.672 -15.224 1.00 2.32 N ATOM 1418 CZ ARG A 88 8.709 1.004 -16.513 1.00 2.83 C ATOM 1419 NH1 ARG A 88 9.543 1.862 -17.110 1.00 2.85 N ATOM 1420 NH2 ARG A 88 7.685 0.478 -17.196 1.00 4.01 N ATOM 0 H ARG A 88 11.910 -0.527 -11.156 1.00 0.99 H new ATOM 0 HA ARG A 88 9.104 -1.264 -11.134 1.00 1.06 H new ATOM 0 HB2 ARG A 88 11.208 -1.079 -13.330 1.00 1.22 H new ATOM 0 HB3 ARG A 88 9.509 -1.409 -13.602 1.00 1.22 H new ATOM 0 HG2 ARG A 88 8.930 0.792 -12.527 1.00 2.16 H new ATOM 0 HG3 ARG A 88 10.638 1.122 -12.316 1.00 2.16 H new ATOM 0 HD2 ARG A 88 9.907 2.281 -14.317 1.00 2.17 H new ATOM 0 HD3 ARG A 88 10.944 0.961 -14.818 1.00 2.17 H new ATOM 0 HE ARG A 88 8.248 0.008 -14.807 1.00 2.32 H new ATOM 0 HH11 ARG A 88 10.322 2.263 -16.588 1.00 2.85 H new ATOM 0 HH12 ARG A 88 9.400 2.115 -18.088 1.00 2.85 H new ATOM 0 HH21 ARG A 88 7.049 -0.175 -16.739 1.00 4.01 H new ATOM 0 HH22 ARG A 88 7.541 0.730 -18.174 1.00 4.01 H new ATOM 1434 N LYS A 89 10.185 -3.644 -10.372 1.00 1.17 N ATOM 1435 CA LYS A 89 10.101 -5.084 -10.237 1.00 1.16 C ATOM 1436 C LYS A 89 8.837 -5.617 -10.906 1.00 1.76 C ATOM 1437 O LYS A 89 7.812 -4.926 -10.884 1.00 2.66 O ATOM 1438 CB LYS A 89 10.180 -5.503 -8.761 1.00 1.87 C ATOM 1439 CG LYS A 89 8.919 -5.470 -7.875 1.00 1.09 C ATOM 1440 CD LYS A 89 8.448 -4.134 -7.274 1.00 1.63 C ATOM 1441 CE LYS A 89 7.278 -3.469 -8.007 1.00 2.56 C ATOM 1442 NZ LYS A 89 7.687 -2.716 -9.199 1.00 4.49 N ATOM 0 H LYS A 89 10.184 -3.150 -9.480 1.00 1.17 H new ATOM 0 HA LYS A 89 10.956 -5.527 -10.748 1.00 1.16 H new ATOM 0 HB2 LYS A 89 10.566 -6.522 -8.735 1.00 1.87 H new ATOM 0 HB3 LYS A 89 10.926 -4.867 -8.284 1.00 1.87 H new ATOM 0 HG2 LYS A 89 8.095 -5.871 -8.465 1.00 1.09 H new ATOM 0 HG3 LYS A 89 9.084 -6.160 -7.047 1.00 1.09 H new ATOM 0 HD2 LYS A 89 8.159 -4.302 -6.237 1.00 1.63 H new ATOM 0 HD3 LYS A 89 9.290 -3.442 -7.262 1.00 1.63 H new ATOM 0 HE2 LYS A 89 6.560 -4.235 -8.299 1.00 2.56 H new ATOM 0 HE3 LYS A 89 6.764 -2.796 -7.320 1.00 2.56 H new ATOM 0 HZ1 LYS A 89 7.022 -1.933 -9.360 1.00 4.49 H new ATOM 0 HZ2 LYS A 89 8.644 -2.334 -9.057 1.00 4.49 H new ATOM 0 HZ3 LYS A 89 7.686 -3.347 -10.026 1.00 4.49 H new ATOM 1456 N LYS A 90 8.940 -6.833 -11.450 1.00 2.04 N ATOM 1457 CA LYS A 90 7.926 -7.675 -12.072 1.00 2.99 C ATOM 1458 C LYS A 90 8.651 -8.991 -12.414 1.00 2.15 C ATOM 1459 O LYS A 90 9.848 -9.107 -12.155 1.00 3.41 O ATOM 1460 CB LYS A 90 7.318 -6.994 -13.322 1.00 4.36 C ATOM 1461 CG LYS A 90 5.898 -6.456 -13.065 1.00 6.40 C ATOM 1462 CD LYS A 90 5.316 -5.765 -14.312 1.00 7.87 C ATOM 1463 CE LYS A 90 3.891 -5.246 -14.038 1.00 9.91 C ATOM 1464 NZ LYS A 90 3.295 -4.535 -15.197 1.00 10.95 N ATOM 0 H LYS A 90 9.846 -7.302 -11.464 1.00 2.04 H new ATOM 0 HA LYS A 90 7.078 -7.854 -11.411 1.00 2.99 H new ATOM 0 HB2 LYS A 90 7.963 -6.173 -13.635 1.00 4.36 H new ATOM 0 HB3 LYS A 90 7.289 -7.709 -14.144 1.00 4.36 H new ATOM 0 HG2 LYS A 90 5.246 -7.277 -12.767 1.00 6.40 H new ATOM 0 HG3 LYS A 90 5.921 -5.750 -12.235 1.00 6.40 H new ATOM 0 HD2 LYS A 90 5.959 -4.936 -14.607 1.00 7.87 H new ATOM 0 HD3 LYS A 90 5.298 -6.466 -15.146 1.00 7.87 H new ATOM 0 HE2 LYS A 90 3.251 -6.086 -13.767 1.00 9.91 H new ATOM 0 HE3 LYS A 90 3.915 -4.574 -13.180 1.00 9.91 H new ATOM 0 HZ1 LYS A 90 2.338 -4.211 -14.951 1.00 10.95 H new ATOM 0 HZ2 LYS A 90 3.886 -3.715 -15.443 1.00 10.95 H new ATOM 0 HZ3 LYS A 90 3.243 -5.180 -16.011 1.00 10.95 H new ATOM 1478 N LYS A 91 7.943 -9.960 -13.003 1.00 1.92 N ATOM 1479 CA LYS A 91 8.478 -11.190 -13.592 1.00 2.20 C ATOM 1480 C LYS A 91 8.927 -12.227 -12.551 1.00 2.50 C ATOM 1481 O LYS A 91 8.373 -13.324 -12.521 1.00 3.61 O ATOM 1482 CB LYS A 91 9.614 -10.865 -14.584 1.00 2.75 C ATOM 1483 CG LYS A 91 9.915 -12.021 -15.554 1.00 3.53 C ATOM 1484 CD LYS A 91 11.410 -12.259 -15.839 1.00 4.61 C ATOM 1485 CE LYS A 91 12.271 -10.995 -16.043 1.00 6.04 C ATOM 1486 NZ LYS A 91 13.083 -10.661 -14.849 1.00 7.20 N ATOM 0 H LYS A 91 6.928 -9.904 -13.086 1.00 1.92 H new ATOM 0 HA LYS A 91 7.655 -11.656 -14.134 1.00 2.20 H new ATOM 0 HB2 LYS A 91 9.345 -9.978 -15.157 1.00 2.75 H new ATOM 0 HB3 LYS A 91 10.518 -10.622 -14.026 1.00 2.75 H new ATOM 0 HG2 LYS A 91 9.488 -12.937 -15.147 1.00 3.53 H new ATOM 0 HG3 LYS A 91 9.407 -11.825 -16.498 1.00 3.53 H new ATOM 0 HD2 LYS A 91 11.830 -12.831 -15.012 1.00 4.61 H new ATOM 0 HD3 LYS A 91 11.495 -12.880 -16.731 1.00 4.61 H new ATOM 0 HE2 LYS A 91 12.931 -11.144 -16.897 1.00 6.04 H new ATOM 0 HE3 LYS A 91 11.622 -10.153 -16.284 1.00 6.04 H new ATOM 0 HZ1 LYS A 91 13.729 -9.878 -15.076 1.00 7.20 H new ATOM 0 HZ2 LYS A 91 12.455 -10.377 -14.070 1.00 7.20 H new ATOM 0 HZ3 LYS A 91 13.636 -11.494 -14.561 1.00 7.20 H new ATOM 1500 N ASP A 92 9.928 -11.907 -11.727 1.00 1.96 N ATOM 1501 CA ASP A 92 10.725 -12.892 -10.994 1.00 2.53 C ATOM 1502 C ASP A 92 11.222 -12.304 -9.672 1.00 1.93 C ATOM 1503 O ASP A 92 12.419 -12.259 -9.396 1.00 2.23 O ATOM 1504 CB ASP A 92 11.888 -13.387 -11.878 1.00 3.45 C ATOM 1505 CG ASP A 92 12.743 -12.286 -12.496 1.00 4.93 C ATOM 1506 OD1 ASP A 92 12.374 -11.092 -12.410 1.00 5.50 O ATOM 1507 OD2 ASP A 92 13.666 -12.622 -13.270 1.00 6.05 O ATOM 0 H ASP A 92 10.211 -10.943 -11.548 1.00 1.96 H new ATOM 0 HA ASP A 92 10.101 -13.752 -10.749 1.00 2.53 H new ATOM 0 HB2 ASP A 92 12.531 -14.032 -11.279 1.00 3.45 H new ATOM 0 HB3 ASP A 92 11.479 -14.001 -12.680 1.00 3.45 H new ATOM 1512 N LEU A 93 10.277 -11.888 -8.827 1.00 1.51 N ATOM 1513 CA LEU A 93 10.580 -11.047 -7.675 1.00 1.04 C ATOM 1514 C LEU A 93 11.135 -11.871 -6.513 1.00 0.92 C ATOM 1515 O LEU A 93 12.316 -11.745 -6.202 1.00 1.03 O ATOM 1516 CB LEU A 93 9.274 -10.309 -7.332 1.00 1.62 C ATOM 1517 CG LEU A 93 9.363 -9.109 -6.380 1.00 1.41 C ATOM 1518 CD1 LEU A 93 7.969 -8.468 -6.334 1.00 2.13 C ATOM 1519 CD2 LEU A 93 9.810 -9.482 -4.962 1.00 2.80 C ATOM 0 H LEU A 93 9.289 -12.124 -8.923 1.00 1.51 H new ATOM 0 HA LEU A 93 11.367 -10.325 -7.894 1.00 1.04 H new ATOM 0 HB2 LEU A 93 8.828 -9.965 -8.265 1.00 1.62 H new ATOM 0 HB3 LEU A 93 8.584 -11.032 -6.897 1.00 1.62 H new ATOM 0 HG LEU A 93 10.123 -8.424 -6.757 1.00 1.41 H new ATOM 0 HD11 LEU A 93 7.986 -7.607 -5.666 1.00 2.13 H new ATOM 0 HD12 LEU A 93 7.684 -8.145 -7.335 1.00 2.13 H new ATOM 0 HD13 LEU A 93 7.245 -9.197 -5.968 1.00 2.13 H new ATOM 0 HD21 LEU A 93 9.850 -8.584 -4.345 1.00 2.80 H new ATOM 0 HD22 LEU A 93 9.100 -10.187 -4.530 1.00 2.80 H new ATOM 0 HD23 LEU A 93 10.798 -9.940 -5.001 1.00 2.80 H new ATOM 1531 N LYS A 94 10.359 -12.803 -5.944 1.00 0.99 N ATOM 1532 CA LYS A 94 10.873 -13.610 -4.835 1.00 1.01 C ATOM 1533 C LYS A 94 11.904 -14.626 -5.319 1.00 1.07 C ATOM 1534 O LYS A 94 12.636 -15.200 -4.518 1.00 1.18 O ATOM 1535 CB LYS A 94 9.767 -14.367 -4.085 1.00 1.27 C ATOM 1536 CG LYS A 94 8.811 -13.484 -3.283 1.00 1.49 C ATOM 1537 CD LYS A 94 7.966 -14.378 -2.354 1.00 1.78 C ATOM 1538 CE LYS A 94 6.631 -13.736 -1.953 1.00 2.20 C ATOM 1539 NZ LYS A 94 5.654 -13.751 -3.064 1.00 2.58 N ATOM 0 H LYS A 94 9.401 -13.012 -6.224 1.00 0.99 H new ATOM 0 HA LYS A 94 11.336 -12.900 -4.150 1.00 1.01 H new ATOM 0 HB2 LYS A 94 9.187 -14.942 -4.807 1.00 1.27 H new ATOM 0 HB3 LYS A 94 10.232 -15.082 -3.407 1.00 1.27 H new ATOM 0 HG2 LYS A 94 9.372 -12.756 -2.697 1.00 1.49 H new ATOM 0 HG3 LYS A 94 8.164 -12.921 -3.956 1.00 1.49 H new ATOM 0 HD2 LYS A 94 7.771 -15.328 -2.852 1.00 1.78 H new ATOM 0 HD3 LYS A 94 8.540 -14.602 -1.455 1.00 1.78 H new ATOM 0 HE2 LYS A 94 6.215 -14.268 -1.097 1.00 2.20 H new ATOM 0 HE3 LYS A 94 6.804 -12.708 -1.636 1.00 2.20 H new ATOM 0 HZ1 LYS A 94 4.883 -13.085 -2.857 1.00 2.58 H new ATOM 0 HZ2 LYS A 94 6.127 -13.469 -3.946 1.00 2.58 H new ATOM 0 HZ3 LYS A 94 5.264 -14.709 -3.171 1.00 2.58 H new ATOM 1553 N ILE A 95 11.903 -14.919 -6.622 1.00 1.14 N ATOM 1554 CA ILE A 95 12.783 -15.906 -7.220 1.00 1.39 C ATOM 1555 C ILE A 95 14.240 -15.585 -6.872 1.00 1.50 C ATOM 1556 O ILE A 95 15.039 -16.505 -6.707 1.00 1.81 O ATOM 1557 CB ILE A 95 12.516 -15.985 -8.738 1.00 1.46 C ATOM 1558 CG1 ILE A 95 11.258 -16.799 -9.084 1.00 2.15 C ATOM 1559 CG2 ILE A 95 13.637 -16.676 -9.500 1.00 2.57 C ATOM 1560 CD1 ILE A 95 9.986 -16.143 -8.583 1.00 3.64 C ATOM 0 H ILE A 95 11.281 -14.468 -7.293 1.00 1.14 H new ATOM 0 HA ILE A 95 12.580 -16.897 -6.813 1.00 1.39 H new ATOM 0 HB ILE A 95 12.413 -14.939 -9.027 1.00 1.46 H new ATOM 0 HG12 ILE A 95 11.197 -16.925 -10.165 1.00 2.15 H new ATOM 0 HG13 ILE A 95 11.344 -17.796 -8.651 1.00 2.15 H new ATOM 0 HG21 ILE A 95 13.393 -16.702 -10.562 1.00 2.57 H new ATOM 0 HG22 ILE A 95 14.568 -16.128 -9.355 1.00 2.57 H new ATOM 0 HG23 ILE A 95 13.754 -17.695 -9.130 1.00 2.57 H new ATOM 0 HD11 ILE A 95 9.128 -16.759 -8.854 1.00 3.64 H new ATOM 0 HD12 ILE A 95 10.032 -16.041 -7.499 1.00 3.64 H new ATOM 0 HD13 ILE A 95 9.882 -15.157 -9.036 1.00 3.64 H new ATOM 1572 N ARG A 96 14.586 -14.297 -6.724 1.00 1.39 N ATOM 1573 CA ARG A 96 15.845 -13.840 -6.138 1.00 1.55 C ATOM 1574 C ARG A 96 16.994 -13.958 -7.147 1.00 1.97 C ATOM 1575 O ARG A 96 17.685 -12.982 -7.431 1.00 2.29 O ATOM 1576 CB ARG A 96 16.129 -14.572 -4.820 1.00 1.76 C ATOM 1577 CG ARG A 96 16.768 -13.667 -3.762 1.00 1.76 C ATOM 1578 CD ARG A 96 18.184 -13.152 -4.037 1.00 2.47 C ATOM 1579 NE ARG A 96 19.196 -14.177 -3.748 1.00 3.44 N ATOM 1580 CZ ARG A 96 20.517 -13.946 -3.757 1.00 4.55 C ATOM 1581 NH1 ARG A 96 20.982 -12.782 -4.225 1.00 4.90 N ATOM 1582 NH2 ARG A 96 21.362 -14.874 -3.294 1.00 5.98 N ATOM 0 H ARG A 96 13.980 -13.530 -7.017 1.00 1.39 H new ATOM 0 HA ARG A 96 15.756 -12.781 -5.894 1.00 1.55 H new ATOM 0 HB2 ARG A 96 15.197 -14.979 -4.428 1.00 1.76 H new ATOM 0 HB3 ARG A 96 16.789 -15.417 -5.014 1.00 1.76 H new ATOM 0 HG2 ARG A 96 16.118 -12.804 -3.620 1.00 1.76 H new ATOM 0 HG3 ARG A 96 16.785 -14.212 -2.818 1.00 1.76 H new ATOM 0 HD2 ARG A 96 18.264 -12.844 -5.080 1.00 2.47 H new ATOM 0 HD3 ARG A 96 18.375 -12.268 -3.428 1.00 2.47 H new ATOM 0 HE ARG A 96 18.875 -15.120 -3.528 1.00 3.44 H new ATOM 0 HH11 ARG A 96 20.333 -12.076 -4.572 1.00 4.90 H new ATOM 0 HH12 ARG A 96 21.986 -12.601 -4.234 1.00 4.90 H new ATOM 0 HH21 ARG A 96 21.002 -15.758 -2.934 1.00 5.98 H new ATOM 0 HH22 ARG A 96 22.367 -14.698 -3.301 1.00 5.98 H new ATOM 1681 N GLU B 4 13.143 -15.138 0.487 1.00 2.12 N ATOM 1682 CA GLU B 4 14.226 -14.480 -0.224 1.00 1.64 C ATOM 1683 C GLU B 4 14.675 -13.409 0.806 1.00 1.65 C ATOM 1684 O GLU B 4 14.060 -13.349 1.876 1.00 2.32 O ATOM 1685 CB GLU B 4 13.690 -14.002 -1.586 1.00 1.55 C ATOM 1686 CG GLU B 4 12.951 -12.664 -1.553 1.00 1.84 C ATOM 1687 CD GLU B 4 13.802 -11.558 -2.150 1.00 2.43 C ATOM 1688 OE1 GLU B 4 13.958 -11.552 -3.387 1.00 2.90 O ATOM 1689 OE2 GLU B 4 14.354 -10.797 -1.333 1.00 3.43 O ATOM 0 HA GLU B 4 15.095 -15.071 -0.514 1.00 1.64 H new ATOM 0 HB2 GLU B 4 14.526 -13.922 -2.281 1.00 1.55 H new ATOM 0 HB3 GLU B 4 13.017 -14.762 -1.983 1.00 1.55 H new ATOM 0 HG2 GLU B 4 12.016 -12.747 -2.107 1.00 1.84 H new ATOM 0 HG3 GLU B 4 12.691 -12.413 -0.525 1.00 1.84 H new ATOM 1696 N PRO B 5 15.720 -12.595 0.594 1.00 1.66 N ATOM 1697 CA PRO B 5 16.099 -11.559 1.551 1.00 2.17 C ATOM 1698 C PRO B 5 15.029 -10.477 1.822 1.00 1.88 C ATOM 1699 O PRO B 5 15.290 -9.574 2.617 1.00 1.96 O ATOM 1700 CB PRO B 5 17.437 -10.995 1.060 1.00 2.92 C ATOM 1701 CG PRO B 5 17.507 -11.385 -0.418 1.00 2.75 C ATOM 1702 CD PRO B 5 16.641 -12.639 -0.523 1.00 1.85 C ATOM 0 HA PRO B 5 16.197 -12.003 2.542 1.00 2.17 H new ATOM 0 HB2 PRO B 5 17.480 -9.913 1.186 1.00 2.92 H new ATOM 0 HB3 PRO B 5 18.273 -11.415 1.620 1.00 2.92 H new ATOM 0 HG2 PRO B 5 17.130 -10.587 -1.058 1.00 2.75 H new ATOM 0 HG3 PRO B 5 18.533 -11.584 -0.728 1.00 2.75 H new ATOM 0 HD2 PRO B 5 16.102 -12.660 -1.470 1.00 1.85 H new ATOM 0 HD3 PRO B 5 17.255 -13.539 -0.485 1.00 1.85 H new ATOM 1710 N LEU B 6 13.816 -10.587 1.264 1.00 1.79 N ATOM 1711 CA LEU B 6 12.750 -9.620 1.486 1.00 1.69 C ATOM 1712 C LEU B 6 12.105 -9.824 2.855 1.00 1.48 C ATOM 1713 O LEU B 6 12.442 -10.731 3.622 1.00 1.84 O ATOM 1714 CB LEU B 6 11.684 -9.681 0.361 1.00 1.68 C ATOM 1715 CG LEU B 6 10.383 -10.491 0.600 1.00 1.41 C ATOM 1716 CD1 LEU B 6 9.459 -10.369 -0.618 1.00 2.26 C ATOM 1717 CD2 LEU B 6 10.549 -11.986 0.884 1.00 2.33 C ATOM 0 H LEU B 6 13.553 -11.354 0.645 1.00 1.79 H new ATOM 0 HA LEU B 6 13.198 -8.627 1.464 1.00 1.69 H new ATOM 0 HB2 LEU B 6 11.395 -8.657 0.126 1.00 1.68 H new ATOM 0 HB3 LEU B 6 12.166 -10.088 -0.528 1.00 1.68 H new ATOM 0 HG LEU B 6 9.973 -10.045 1.506 1.00 1.41 H new ATOM 0 HD11 LEU B 6 8.548 -10.941 -0.442 1.00 2.26 H new ATOM 0 HD12 LEU B 6 9.205 -9.321 -0.778 1.00 2.26 H new ATOM 0 HD13 LEU B 6 9.967 -10.758 -1.500 1.00 2.26 H new ATOM 0 HD21 LEU B 6 9.569 -12.439 1.033 1.00 2.33 H new ATOM 0 HD22 LEU B 6 11.045 -12.464 0.039 1.00 2.33 H new ATOM 0 HD23 LEU B 6 11.152 -12.121 1.782 1.00 2.33 H new ATOM 1729 N THR B 7 11.214 -8.904 3.211 1.00 1.18 N ATOM 1730 CA THR B 7 10.528 -8.892 4.485 1.00 1.06 C ATOM 1731 C THR B 7 9.235 -8.096 4.301 1.00 1.17 C ATOM 1732 O THR B 7 9.051 -7.480 3.244 1.00 1.39 O ATOM 1733 CB THR B 7 11.545 -8.412 5.544 1.00 1.09 C ATOM 1734 OG1 THR B 7 12.156 -9.572 6.079 1.00 1.60 O ATOM 1735 CG2 THR B 7 11.068 -7.461 6.653 1.00 1.27 C ATOM 0 H THR B 7 10.947 -8.130 2.602 1.00 1.18 H new ATOM 0 HA THR B 7 10.190 -9.860 4.856 1.00 1.06 H new ATOM 0 HB THR B 7 12.235 -7.756 5.013 1.00 1.09 H new ATOM 0 HG1 THR B 7 12.371 -10.193 5.352 1.00 1.60 H new ATOM 0 HG21 THR B 7 11.903 -7.222 7.311 1.00 1.27 H new ATOM 0 HG22 THR B 7 10.684 -6.544 6.206 1.00 1.27 H new ATOM 0 HG23 THR B 7 10.278 -7.942 7.230 1.00 1.27 H new ATOM 1743 N GLU B 8 8.363 -8.125 5.315 1.00 1.18 N ATOM 1744 CA GLU B 8 6.937 -7.810 5.281 1.00 1.22 C ATOM 1745 C GLU B 8 6.584 -6.637 4.362 1.00 1.22 C ATOM 1746 O GLU B 8 5.593 -6.672 3.641 1.00 1.26 O ATOM 1747 CB GLU B 8 6.459 -7.475 6.701 1.00 1.50 C ATOM 1748 CG GLU B 8 6.570 -8.610 7.728 1.00 1.82 C ATOM 1749 CD GLU B 8 7.982 -8.768 8.257 1.00 2.71 C ATOM 1750 OE1 GLU B 8 8.720 -9.549 7.618 1.00 3.37 O ATOM 1751 OE2 GLU B 8 8.342 -8.066 9.222 1.00 3.78 O ATOM 0 H GLU B 8 8.663 -8.391 6.253 1.00 1.18 H new ATOM 0 HA GLU B 8 6.438 -8.693 4.881 1.00 1.22 H new ATOM 0 HB2 GLU B 8 7.033 -6.623 7.066 1.00 1.50 H new ATOM 0 HB3 GLU B 8 5.417 -7.159 6.648 1.00 1.50 H new ATOM 0 HG2 GLU B 8 5.892 -8.413 8.559 1.00 1.82 H new ATOM 0 HG3 GLU B 8 6.249 -9.545 7.269 1.00 1.82 H new ATOM 1758 N LEU B 9 7.388 -5.578 4.420 1.00 1.25 N ATOM 1759 CA LEU B 9 7.145 -4.347 3.688 1.00 1.30 C ATOM 1760 C LEU B 9 7.158 -4.638 2.182 1.00 1.35 C ATOM 1761 O LEU B 9 6.138 -4.477 1.510 1.00 1.40 O ATOM 1762 CB LEU B 9 8.167 -3.273 4.112 1.00 1.34 C ATOM 1763 CG LEU B 9 8.335 -3.174 5.643 1.00 1.21 C ATOM 1764 CD1 LEU B 9 9.388 -2.148 6.038 1.00 3.00 C ATOM 1765 CD2 LEU B 9 7.039 -2.834 6.378 1.00 2.11 C ATOM 0 H LEU B 9 8.237 -5.555 4.985 1.00 1.25 H new ATOM 0 HA LEU B 9 6.160 -3.947 3.926 1.00 1.30 H new ATOM 0 HB2 LEU B 9 9.133 -3.499 3.660 1.00 1.34 H new ATOM 0 HB3 LEU B 9 7.851 -2.305 3.723 1.00 1.34 H new ATOM 0 HG LEU B 9 8.653 -4.172 5.945 1.00 1.21 H new ATOM 0 HD11 LEU B 9 9.472 -2.113 7.124 1.00 3.00 H new ATOM 0 HD12 LEU B 9 10.349 -2.430 5.609 1.00 3.00 H new ATOM 0 HD13 LEU B 9 9.097 -1.166 5.664 1.00 3.00 H new ATOM 0 HD21 LEU B 9 7.232 -2.781 7.450 1.00 2.11 H new ATOM 0 HD22 LEU B 9 6.664 -1.872 6.028 1.00 2.11 H new ATOM 0 HD23 LEU B 9 6.296 -3.606 6.181 1.00 2.11 H new ATOM 1777 N GLU B 10 8.288 -5.137 1.665 1.00 1.41 N ATOM 1778 CA GLU B 10 8.377 -5.587 0.278 1.00 1.42 C ATOM 1779 C GLU B 10 7.315 -6.651 0.047 1.00 1.30 C ATOM 1780 O GLU B 10 6.517 -6.529 -0.874 1.00 1.27 O ATOM 1781 CB GLU B 10 9.790 -6.082 -0.047 1.00 1.37 C ATOM 1782 CG GLU B 10 9.984 -6.727 -1.438 1.00 1.45 C ATOM 1783 CD GLU B 10 9.850 -5.819 -2.657 1.00 2.23 C ATOM 1784 OE1 GLU B 10 8.731 -5.317 -2.889 1.00 3.24 O ATOM 1785 OE2 GLU B 10 10.875 -5.646 -3.354 1.00 2.98 O ATOM 0 H GLU B 10 9.155 -5.238 2.193 1.00 1.41 H new ATOM 0 HA GLU B 10 8.187 -4.757 -0.402 1.00 1.42 H new ATOM 0 HB2 GLU B 10 10.476 -5.240 0.039 1.00 1.37 H new ATOM 0 HB3 GLU B 10 10.081 -6.809 0.711 1.00 1.37 H new ATOM 0 HG2 GLU B 10 10.974 -7.181 -1.464 1.00 1.45 H new ATOM 0 HG3 GLU B 10 9.260 -7.535 -1.539 1.00 1.45 H new ATOM 1792 N GLU B 11 7.242 -7.638 0.942 1.00 1.34 N ATOM 1793 CA GLU B 11 6.227 -8.690 0.934 1.00 1.31 C ATOM 1794 C GLU B 11 4.809 -8.160 0.651 1.00 1.16 C ATOM 1795 O GLU B 11 3.999 -8.871 0.053 1.00 1.21 O ATOM 1796 CB GLU B 11 6.287 -9.465 2.261 1.00 1.55 C ATOM 1797 CG GLU B 11 6.628 -10.951 2.103 1.00 2.11 C ATOM 1798 CD GLU B 11 7.083 -11.540 3.434 1.00 3.00 C ATOM 1799 OE1 GLU B 11 8.175 -11.128 3.885 1.00 4.31 O ATOM 1800 OE2 GLU B 11 6.336 -12.377 3.983 1.00 3.29 O ATOM 0 H GLU B 11 7.905 -7.729 1.712 1.00 1.34 H new ATOM 0 HA GLU B 11 6.453 -9.365 0.109 1.00 1.31 H new ATOM 0 HB2 GLU B 11 7.031 -8.999 2.908 1.00 1.55 H new ATOM 0 HB3 GLU B 11 5.325 -9.376 2.765 1.00 1.55 H new ATOM 0 HG2 GLU B 11 5.756 -11.493 1.738 1.00 2.11 H new ATOM 0 HG3 GLU B 11 7.414 -11.072 1.357 1.00 2.11 H new ATOM 1807 N SER B 12 4.474 -6.928 1.054 1.00 1.14 N ATOM 1808 CA SER B 12 3.157 -6.391 0.750 1.00 1.09 C ATOM 1809 C SER B 12 3.105 -5.823 -0.656 1.00 1.02 C ATOM 1810 O SER B 12 2.112 -5.991 -1.366 1.00 1.07 O ATOM 1811 CB SER B 12 2.738 -5.332 1.778 1.00 1.09 C ATOM 1812 OG SER B 12 2.008 -5.924 2.832 1.00 1.62 O ATOM 0 H SER B 12 5.086 -6.303 1.579 1.00 1.14 H new ATOM 0 HA SER B 12 2.447 -7.216 0.806 1.00 1.09 H new ATOM 0 HB2 SER B 12 3.622 -4.834 2.176 1.00 1.09 H new ATOM 0 HB3 SER B 12 2.132 -4.567 1.293 1.00 1.09 H new ATOM 0 HG SER B 12 2.024 -5.333 3.614 1.00 1.62 H new ATOM 1818 N ILE B 13 4.170 -5.136 -1.055 1.00 0.95 N ATOM 1819 CA ILE B 13 4.278 -4.558 -2.380 1.00 0.93 C ATOM 1820 C ILE B 13 4.089 -5.685 -3.390 1.00 0.85 C ATOM 1821 O ILE B 13 3.242 -5.611 -4.278 1.00 0.80 O ATOM 1822 CB ILE B 13 5.644 -3.870 -2.524 1.00 0.95 C ATOM 1823 CG1 ILE B 13 5.773 -2.775 -1.458 1.00 1.10 C ATOM 1824 CG2 ILE B 13 5.899 -3.254 -3.903 1.00 0.95 C ATOM 1825 CD1 ILE B 13 7.201 -2.282 -1.315 1.00 1.26 C ATOM 0 H ILE B 13 4.983 -4.967 -0.463 1.00 0.95 H new ATOM 0 HA ILE B 13 3.517 -3.798 -2.554 1.00 0.93 H new ATOM 0 HB ILE B 13 6.392 -4.652 -2.393 1.00 0.95 H new ATOM 0 HG12 ILE B 13 5.125 -1.938 -1.719 1.00 1.10 H new ATOM 0 HG13 ILE B 13 5.425 -3.160 -0.499 1.00 1.10 H new ATOM 0 HG21 ILE B 13 6.885 -2.790 -3.917 1.00 0.95 H new ATOM 0 HG22 ILE B 13 5.854 -4.033 -4.664 1.00 0.95 H new ATOM 0 HG23 ILE B 13 5.140 -2.500 -4.111 1.00 0.95 H new ATOM 0 HD11 ILE B 13 7.244 -1.508 -0.549 1.00 1.26 H new ATOM 0 HD12 ILE B 13 7.846 -3.113 -1.027 1.00 1.26 H new ATOM 0 HD13 ILE B 13 7.541 -1.871 -2.266 1.00 1.26 H new ATOM 1837 N GLU B 14 4.836 -6.758 -3.142 1.00 0.87 N ATOM 1838 CA GLU B 14 4.744 -8.082 -3.725 1.00 0.91 C ATOM 1839 C GLU B 14 3.288 -8.495 -3.942 1.00 0.87 C ATOM 1840 O GLU B 14 2.878 -8.839 -5.051 1.00 0.96 O ATOM 1841 CB GLU B 14 5.372 -9.027 -2.691 1.00 1.41 C ATOM 1842 CG GLU B 14 6.317 -10.050 -3.259 1.00 1.56 C ATOM 1843 CD GLU B 14 5.602 -11.152 -4.012 1.00 2.09 C ATOM 1844 OE1 GLU B 14 4.488 -11.513 -3.573 1.00 2.77 O ATOM 1845 OE2 GLU B 14 6.257 -11.858 -4.808 1.00 3.27 O ATOM 0 H GLU B 14 5.593 -6.711 -2.460 1.00 0.87 H new ATOM 0 HA GLU B 14 5.242 -8.111 -4.694 1.00 0.91 H new ATOM 0 HB2 GLU B 14 5.907 -8.430 -1.953 1.00 1.41 H new ATOM 0 HB3 GLU B 14 4.573 -9.546 -2.162 1.00 1.41 H new ATOM 0 HG2 GLU B 14 7.021 -9.556 -3.928 1.00 1.56 H new ATOM 0 HG3 GLU B 14 6.901 -10.488 -2.450 1.00 1.56 H new ATOM 1852 N THR B 15 2.512 -8.453 -2.860 1.00 0.84 N ATOM 1853 CA THR B 15 1.131 -8.893 -2.840 1.00 0.87 C ATOM 1854 C THR B 15 0.294 -7.985 -3.742 1.00 0.79 C ATOM 1855 O THR B 15 -0.478 -8.472 -4.565 1.00 0.84 O ATOM 1856 CB THR B 15 0.621 -8.949 -1.393 1.00 0.96 C ATOM 1857 OG1 THR B 15 1.448 -9.789 -0.611 1.00 1.14 O ATOM 1858 CG2 THR B 15 -0.800 -9.519 -1.334 1.00 1.02 C ATOM 0 H THR B 15 2.839 -8.104 -1.959 1.00 0.84 H new ATOM 0 HA THR B 15 1.045 -9.904 -3.238 1.00 0.87 H new ATOM 0 HB THR B 15 0.633 -7.929 -1.008 1.00 0.96 H new ATOM 0 HG1 THR B 15 2.303 -9.341 -0.441 1.00 1.14 H new ATOM 0 HG21 THR B 15 -1.138 -9.548 -0.298 1.00 1.02 H new ATOM 0 HG22 THR B 15 -1.470 -8.887 -1.917 1.00 1.02 H new ATOM 0 HG23 THR B 15 -0.805 -10.528 -1.745 1.00 1.02 H new ATOM 1866 N VAL B 16 0.459 -6.664 -3.640 1.00 0.73 N ATOM 1867 CA VAL B 16 -0.264 -5.744 -4.500 1.00 0.71 C ATOM 1868 C VAL B 16 0.051 -6.026 -5.976 1.00 0.74 C ATOM 1869 O VAL B 16 -0.857 -6.224 -6.787 1.00 0.77 O ATOM 1870 CB VAL B 16 0.061 -4.298 -4.096 1.00 0.70 C ATOM 1871 CG1 VAL B 16 -0.523 -3.345 -5.135 1.00 0.71 C ATOM 1872 CG2 VAL B 16 -0.507 -3.958 -2.714 1.00 0.83 C ATOM 0 H VAL B 16 1.086 -6.216 -2.971 1.00 0.73 H new ATOM 0 HA VAL B 16 -1.337 -5.890 -4.376 1.00 0.71 H new ATOM 0 HB VAL B 16 1.145 -4.191 -4.049 1.00 0.70 H new ATOM 0 HG11 VAL B 16 -0.296 -2.317 -4.854 1.00 0.71 H new ATOM 0 HG12 VAL B 16 -0.087 -3.559 -6.111 1.00 0.71 H new ATOM 0 HG13 VAL B 16 -1.604 -3.477 -5.183 1.00 0.71 H new ATOM 0 HG21 VAL B 16 -0.258 -2.927 -2.462 1.00 0.83 H new ATOM 0 HG22 VAL B 16 -1.590 -4.076 -2.727 1.00 0.83 H new ATOM 0 HG23 VAL B 16 -0.078 -4.628 -1.969 1.00 0.83 H new ATOM 1882 N VAL B 17 1.333 -6.025 -6.348 1.00 0.78 N ATOM 1883 CA VAL B 17 1.733 -6.221 -7.738 1.00 0.90 C ATOM 1884 C VAL B 17 1.322 -7.611 -8.243 1.00 0.97 C ATOM 1885 O VAL B 17 0.904 -7.748 -9.392 1.00 1.11 O ATOM 1886 CB VAL B 17 3.213 -5.864 -7.968 1.00 0.85 C ATOM 1887 CG1 VAL B 17 3.496 -4.423 -7.513 1.00 1.02 C ATOM 1888 CG2 VAL B 17 4.184 -6.823 -7.280 1.00 0.88 C ATOM 0 H VAL B 17 2.111 -5.890 -5.703 1.00 0.78 H new ATOM 0 HA VAL B 17 1.183 -5.514 -8.359 1.00 0.90 H new ATOM 0 HB VAL B 17 3.383 -5.957 -9.041 1.00 0.85 H new ATOM 0 HG11 VAL B 17 4.547 -4.188 -7.683 1.00 1.02 H new ATOM 0 HG12 VAL B 17 2.873 -3.733 -8.082 1.00 1.02 H new ATOM 0 HG13 VAL B 17 3.269 -4.326 -6.451 1.00 1.02 H new ATOM 0 HG21 VAL B 17 5.209 -6.512 -7.484 1.00 0.88 H new ATOM 0 HG22 VAL B 17 4.008 -6.809 -6.204 1.00 0.88 H new ATOM 0 HG23 VAL B 17 4.029 -7.833 -7.660 1.00 0.88 H new ATOM 1898 N THR B 18 1.373 -8.624 -7.374 1.00 0.96 N ATOM 1899 CA THR B 18 0.795 -9.935 -7.630 1.00 1.12 C ATOM 1900 C THR B 18 -0.679 -9.782 -7.983 1.00 1.06 C ATOM 1901 O THR B 18 -1.120 -10.259 -9.024 1.00 1.18 O ATOM 1902 CB THR B 18 0.981 -10.831 -6.395 1.00 1.28 C ATOM 1903 OG1 THR B 18 2.328 -11.237 -6.314 1.00 2.25 O ATOM 1904 CG2 THR B 18 0.044 -12.040 -6.391 1.00 1.31 C ATOM 0 H THR B 18 1.824 -8.550 -6.462 1.00 0.96 H new ATOM 0 HA THR B 18 1.301 -10.406 -8.472 1.00 1.12 H new ATOM 0 HB THR B 18 0.718 -10.244 -5.515 1.00 1.28 H new ATOM 0 HG1 THR B 18 2.854 -10.538 -5.873 1.00 2.25 H new ATOM 0 HG21 THR B 18 0.222 -12.635 -5.495 1.00 1.31 H new ATOM 0 HG22 THR B 18 -0.991 -11.698 -6.400 1.00 1.31 H new ATOM 0 HG23 THR B 18 0.233 -12.650 -7.275 1.00 1.31 H new ATOM 1912 N THR B 19 -1.451 -9.123 -7.123 1.00 0.94 N ATOM 1913 CA THR B 19 -2.882 -8.971 -7.310 1.00 0.95 C ATOM 1914 C THR B 19 -3.166 -8.265 -8.642 1.00 1.07 C ATOM 1915 O THR B 19 -4.007 -8.719 -9.415 1.00 1.29 O ATOM 1916 CB THR B 19 -3.455 -8.295 -6.055 1.00 0.95 C ATOM 1917 OG1 THR B 19 -3.571 -9.253 -5.024 1.00 1.04 O ATOM 1918 CG2 THR B 19 -4.806 -7.600 -6.235 1.00 1.08 C ATOM 0 H THR B 19 -1.096 -8.680 -6.276 1.00 0.94 H new ATOM 0 HA THR B 19 -3.397 -9.927 -7.403 1.00 0.95 H new ATOM 0 HB THR B 19 -2.748 -7.502 -5.811 1.00 0.95 H new ATOM 0 HG1 THR B 19 -3.935 -8.826 -4.220 1.00 1.04 H new ATOM 0 HG21 THR B 19 -5.116 -7.157 -5.289 1.00 1.08 H new ATOM 0 HG22 THR B 19 -4.715 -6.818 -6.989 1.00 1.08 H new ATOM 0 HG23 THR B 19 -5.550 -8.329 -6.556 1.00 1.08 H new ATOM 1926 N PHE B 20 -2.404 -7.217 -8.979 1.00 1.04 N ATOM 1927 CA PHE B 20 -2.489 -6.589 -10.298 1.00 1.23 C ATOM 1928 C PHE B 20 -2.286 -7.556 -11.469 1.00 1.52 C ATOM 1929 O PHE B 20 -2.698 -7.235 -12.581 1.00 1.93 O ATOM 1930 CB PHE B 20 -1.530 -5.398 -10.411 1.00 1.13 C ATOM 1931 CG PHE B 20 -2.023 -4.132 -9.741 1.00 0.77 C ATOM 1932 CD1 PHE B 20 -3.193 -3.514 -10.221 1.00 1.42 C ATOM 1933 CD2 PHE B 20 -1.259 -3.498 -8.744 1.00 1.74 C ATOM 1934 CE1 PHE B 20 -3.600 -2.276 -9.702 1.00 1.66 C ATOM 1935 CE2 PHE B 20 -1.631 -2.226 -8.275 1.00 1.56 C ATOM 1936 CZ PHE B 20 -2.780 -1.604 -8.785 1.00 0.90 C ATOM 0 H PHE B 20 -1.722 -6.788 -8.354 1.00 1.04 H new ATOM 0 HA PHE B 20 -3.516 -6.232 -10.378 1.00 1.23 H new ATOM 0 HB2 PHE B 20 -0.571 -5.676 -9.974 1.00 1.13 H new ATOM 0 HB3 PHE B 20 -1.351 -5.190 -11.466 1.00 1.13 H new ATOM 0 HD1 PHE B 20 -3.779 -3.994 -10.991 1.00 1.42 H new ATOM 0 HD2 PHE B 20 -0.386 -3.989 -8.339 1.00 1.74 H new ATOM 0 HE1 PHE B 20 -4.541 -1.843 -10.008 1.00 1.66 H new ATOM 0 HE2 PHE B 20 -1.034 -1.729 -7.524 1.00 1.56 H new ATOM 0 HZ PHE B 20 -3.034 -0.603 -8.470 1.00 0.90 H new ATOM 1946 N PHE B 21 -1.675 -8.726 -11.263 1.00 1.39 N ATOM 1947 CA PHE B 21 -1.591 -9.740 -12.304 1.00 1.58 C ATOM 1948 C PHE B 21 -2.971 -10.232 -12.728 1.00 1.60 C ATOM 1949 O PHE B 21 -3.165 -10.566 -13.899 1.00 2.17 O ATOM 1950 CB PHE B 21 -0.684 -10.900 -11.879 1.00 1.60 C ATOM 1951 CG PHE B 21 -0.233 -11.797 -13.020 1.00 2.07 C ATOM 1952 CD1 PHE B 21 0.694 -11.318 -13.963 1.00 2.75 C ATOM 1953 CD2 PHE B 21 -0.649 -13.142 -13.074 1.00 2.96 C ATOM 1954 CE1 PHE B 21 1.223 -12.181 -14.938 1.00 3.41 C ATOM 1955 CE2 PHE B 21 -0.125 -14.005 -14.053 1.00 3.71 C ATOM 1956 CZ PHE B 21 0.819 -13.528 -14.979 1.00 3.65 C ATOM 0 H PHE B 21 -1.233 -8.989 -10.382 1.00 1.39 H new ATOM 0 HA PHE B 21 -1.138 -9.272 -13.178 1.00 1.58 H new ATOM 0 HB2 PHE B 21 0.197 -10.493 -11.383 1.00 1.60 H new ATOM 0 HB3 PHE B 21 -1.212 -11.507 -11.143 1.00 1.60 H new ATOM 0 HD1 PHE B 21 1.001 -10.283 -13.938 1.00 2.75 H new ATOM 0 HD2 PHE B 21 -1.372 -13.511 -12.362 1.00 2.96 H new ATOM 0 HE1 PHE B 21 1.940 -11.810 -15.656 1.00 3.41 H new ATOM 0 HE2 PHE B 21 -0.448 -15.035 -14.093 1.00 3.71 H new ATOM 0 HZ PHE B 21 1.234 -14.195 -15.721 1.00 3.65 H new ATOM 1966 N THR B 22 -3.906 -10.312 -11.782 1.00 1.43 N ATOM 1967 CA THR B 22 -5.248 -10.791 -12.034 1.00 1.96 C ATOM 1968 C THR B 22 -6.187 -10.240 -10.956 1.00 1.48 C ATOM 1969 O THR B 22 -6.190 -10.773 -9.848 1.00 1.87 O ATOM 1970 CB THR B 22 -5.253 -12.328 -12.007 1.00 2.98 C ATOM 1971 OG1 THR B 22 -4.620 -12.799 -10.836 1.00 2.73 O ATOM 1972 CG2 THR B 22 -4.622 -13.015 -13.221 1.00 4.76 C ATOM 0 H THR B 22 -3.743 -10.041 -10.812 1.00 1.43 H new ATOM 0 HA THR B 22 -5.588 -10.453 -13.013 1.00 1.96 H new ATOM 0 HB THR B 22 -6.310 -12.594 -12.030 1.00 2.98 H new ATOM 0 HG1 THR B 22 -4.925 -12.275 -10.066 1.00 2.73 H new ATOM 0 HG21 THR B 22 -4.679 -14.096 -13.098 1.00 4.76 H new ATOM 0 HG22 THR B 22 -5.159 -12.724 -14.124 1.00 4.76 H new ATOM 0 HG23 THR B 22 -3.578 -12.715 -13.307 1.00 4.76 H new ATOM 2097 N LYS B 30 -3.896 -4.202 -17.508 1.00 1.88 N ATOM 2098 CA LYS B 30 -3.630 -2.900 -18.108 1.00 2.09 C ATOM 2099 C LYS B 30 -3.102 -1.956 -17.019 1.00 2.21 C ATOM 2100 O LYS B 30 -3.576 -0.832 -16.861 1.00 3.93 O ATOM 2101 CB LYS B 30 -4.914 -2.406 -18.802 1.00 2.57 C ATOM 2102 CG LYS B 30 -4.709 -1.520 -20.044 1.00 2.77 C ATOM 2103 CD LYS B 30 -4.256 -0.080 -19.760 1.00 2.96 C ATOM 2104 CE LYS B 30 -2.730 0.083 -19.622 1.00 3.37 C ATOM 2105 NZ LYS B 30 -2.369 0.903 -18.449 1.00 4.57 N ATOM 0 HA LYS B 30 -2.859 -2.949 -18.877 1.00 2.09 H new ATOM 0 HB2 LYS B 30 -5.504 -3.275 -19.093 1.00 2.57 H new ATOM 0 HB3 LYS B 30 -5.505 -1.848 -18.075 1.00 2.57 H new ATOM 0 HG2 LYS B 30 -3.970 -1.994 -20.690 1.00 2.77 H new ATOM 0 HG3 LYS B 30 -5.644 -1.485 -20.602 1.00 2.77 H new ATOM 0 HD2 LYS B 30 -4.608 0.566 -20.564 1.00 2.96 H new ATOM 0 HD3 LYS B 30 -4.732 0.265 -18.842 1.00 2.96 H new ATOM 0 HE2 LYS B 30 -2.266 -0.900 -19.535 1.00 3.37 H new ATOM 0 HE3 LYS B 30 -2.331 0.545 -20.525 1.00 3.37 H new ATOM 0 HZ1 LYS B 30 -1.342 0.851 -18.291 1.00 4.57 H new ATOM 0 HZ2 LYS B 30 -2.643 1.892 -18.619 1.00 4.57 H new ATOM 0 HZ3 LYS B 30 -2.867 0.545 -17.609 1.00 4.57 H new ATOM 2119 N ASP B 31 -2.109 -2.423 -16.261 1.00 1.33 N ATOM 2120 CA ASP B 31 -1.530 -1.806 -15.073 1.00 1.19 C ATOM 2121 C ASP B 31 -2.514 -1.712 -13.905 1.00 1.05 C ATOM 2122 O ASP B 31 -2.208 -2.182 -12.813 1.00 1.23 O ATOM 2123 CB ASP B 31 -0.871 -0.450 -15.363 1.00 1.31 C ATOM 2124 CG ASP B 31 0.185 -0.540 -16.451 1.00 2.23 C ATOM 2125 OD1 ASP B 31 1.211 -1.212 -16.196 1.00 2.77 O ATOM 2126 OD2 ASP B 31 -0.072 0.068 -17.516 1.00 3.41 O ATOM 0 H ASP B 31 -1.656 -3.310 -16.481 1.00 1.33 H new ATOM 0 HA ASP B 31 -0.736 -2.484 -14.761 1.00 1.19 H new ATOM 0 HB2 ASP B 31 -1.636 0.266 -15.662 1.00 1.31 H new ATOM 0 HB3 ASP B 31 -0.416 -0.068 -14.449 1.00 1.31 H new ATOM 2131 N SER B 32 -3.672 -1.091 -14.121 1.00 1.15 N ATOM 2132 CA SER B 32 -4.778 -1.008 -13.183 1.00 1.06 C ATOM 2133 C SER B 32 -6.049 -0.794 -14.012 1.00 1.05 C ATOM 2134 O SER B 32 -6.074 -1.124 -15.197 1.00 1.16 O ATOM 2135 CB SER B 32 -4.516 0.118 -12.173 1.00 1.03 C ATOM 2136 OG SER B 32 -5.519 0.194 -11.175 1.00 1.81 O ATOM 0 H SER B 32 -3.869 -0.610 -14.999 1.00 1.15 H new ATOM 0 HA SER B 32 -4.892 -1.918 -12.594 1.00 1.06 H new ATOM 0 HB2 SER B 32 -3.547 -0.041 -11.699 1.00 1.03 H new ATOM 0 HB3 SER B 32 -4.460 1.070 -12.701 1.00 1.03 H new ATOM 0 HG SER B 32 -5.309 0.923 -10.555 1.00 1.81 H new ATOM 2142 N LEU B 33 -7.092 -0.256 -13.382 1.00 0.99 N ATOM 2143 CA LEU B 33 -8.398 -0.017 -13.979 1.00 0.97 C ATOM 2144 C LEU B 33 -8.551 1.478 -14.277 1.00 0.87 C ATOM 2145 O LEU B 33 -7.572 2.226 -14.216 1.00 0.88 O ATOM 2146 CB LEU B 33 -9.491 -0.500 -13.011 1.00 1.04 C ATOM 2147 CG LEU B 33 -9.413 -1.961 -12.549 1.00 1.24 C ATOM 2148 CD1 LEU B 33 -9.075 -2.951 -13.669 1.00 1.91 C ATOM 2149 CD2 LEU B 33 -8.479 -2.113 -11.350 1.00 1.11 C ATOM 0 H LEU B 33 -7.045 0.035 -12.406 1.00 0.99 H new ATOM 0 HA LEU B 33 -8.494 -0.568 -14.915 1.00 0.97 H new ATOM 0 HB2 LEU B 33 -9.467 0.137 -12.127 1.00 1.04 H new ATOM 0 HB3 LEU B 33 -10.459 -0.346 -13.488 1.00 1.04 H new ATOM 0 HG LEU B 33 -10.421 -2.228 -12.230 1.00 1.24 H new ATOM 0 HD11 LEU B 33 -9.038 -3.962 -13.262 1.00 1.91 H new ATOM 0 HD12 LEU B 33 -9.840 -2.899 -14.444 1.00 1.91 H new ATOM 0 HD13 LEU B 33 -8.106 -2.697 -14.099 1.00 1.91 H new ATOM 0 HD21 LEU B 33 -8.445 -3.159 -11.046 1.00 1.11 H new ATOM 0 HD22 LEU B 33 -7.477 -1.782 -11.625 1.00 1.11 H new ATOM 0 HD23 LEU B 33 -8.847 -1.507 -10.523 1.00 1.11 H new ATOM 2161 N SER B 34 -9.775 1.934 -14.552 1.00 0.85 N ATOM 2162 CA SER B 34 -10.078 3.362 -14.551 1.00 0.75 C ATOM 2163 C SER B 34 -10.295 3.845 -13.116 1.00 0.69 C ATOM 2164 O SER B 34 -10.364 3.064 -12.168 1.00 0.70 O ATOM 2165 CB SER B 34 -11.251 3.699 -15.486 1.00 0.85 C ATOM 2166 OG SER B 34 -10.746 4.029 -16.767 1.00 1.70 O ATOM 0 H SER B 34 -10.569 1.335 -14.777 1.00 0.85 H new ATOM 0 HA SER B 34 -9.224 3.905 -14.955 1.00 0.75 H new ATOM 0 HB2 SER B 34 -11.930 2.849 -15.558 1.00 0.85 H new ATOM 0 HB3 SER B 34 -11.825 4.533 -15.082 1.00 0.85 H new ATOM 0 HG SER B 34 -10.186 4.830 -16.701 1.00 1.70 H new ATOM 2172 N VAL B 35 -10.352 5.162 -12.947 1.00 0.73 N ATOM 2173 CA VAL B 35 -10.236 5.791 -11.640 1.00 0.71 C ATOM 2174 C VAL B 35 -11.519 5.634 -10.797 1.00 0.69 C ATOM 2175 O VAL B 35 -11.466 5.166 -9.659 1.00 0.69 O ATOM 2176 CB VAL B 35 -9.830 7.249 -11.866 1.00 0.81 C ATOM 2177 CG1 VAL B 35 -9.654 7.995 -10.551 1.00 0.91 C ATOM 2178 CG2 VAL B 35 -8.524 7.388 -12.666 1.00 0.87 C ATOM 0 H VAL B 35 -10.480 5.822 -13.714 1.00 0.73 H new ATOM 0 HA VAL B 35 -9.469 5.294 -11.047 1.00 0.71 H new ATOM 0 HB VAL B 35 -10.648 7.684 -12.440 1.00 0.81 H new ATOM 0 HG11 VAL B 35 -9.366 9.026 -10.754 1.00 0.91 H new ATOM 0 HG12 VAL B 35 -10.593 7.983 -9.997 1.00 0.91 H new ATOM 0 HG13 VAL B 35 -8.877 7.511 -9.959 1.00 0.91 H new ATOM 0 HG21 VAL B 35 -8.287 8.444 -12.795 1.00 0.87 H new ATOM 0 HG22 VAL B 35 -7.713 6.897 -12.127 1.00 0.87 H new ATOM 0 HG23 VAL B 35 -8.645 6.921 -13.644 1.00 0.87 H new ATOM 2188 N ASN B 36 -12.683 6.027 -11.329 1.00 0.78 N ATOM 2189 CA ASN B 36 -13.966 5.793 -10.646 1.00 0.91 C ATOM 2190 C ASN B 36 -14.140 4.292 -10.419 1.00 0.89 C ATOM 2191 O ASN B 36 -14.376 3.857 -9.296 1.00 0.95 O ATOM 2192 CB ASN B 36 -15.164 6.333 -11.454 1.00 1.14 C ATOM 2193 CG ASN B 36 -15.860 7.531 -10.808 1.00 2.22 C ATOM 2194 OD1 ASN B 36 -15.092 8.487 -10.297 1.00 3.31 O flip ATOM 2195 ND2 ASN B 36 -17.082 7.629 -10.805 1.00 2.86 N flip ATOM 0 H ASN B 36 -12.765 6.506 -12.226 1.00 0.78 H new ATOM 0 HA ASN B 36 -13.945 6.328 -9.697 1.00 0.91 H new ATOM 0 HB2 ASN B 36 -14.820 6.618 -12.448 1.00 1.14 H new ATOM 0 HB3 ASN B 36 -15.891 5.531 -11.586 1.00 1.14 H new ATOM 0 HD21 ASN B 36 -17.654 6.884 -11.202 1.00 2.86 H new ATOM 0 HD22 ASN B 36 -17.526 8.456 -10.405 1.00 2.86 H new ATOM 2202 N GLU B 37 -13.951 3.513 -11.488 1.00 0.88 N ATOM 2203 CA GLU B 37 -13.990 2.058 -11.485 1.00 0.91 C ATOM 2204 C GLU B 37 -13.198 1.506 -10.293 1.00 0.86 C ATOM 2205 O GLU B 37 -13.721 0.744 -9.483 1.00 0.98 O ATOM 2206 CB GLU B 37 -13.442 1.587 -12.837 1.00 0.99 C ATOM 2207 CG GLU B 37 -13.498 0.074 -13.059 1.00 1.24 C ATOM 2208 CD GLU B 37 -12.925 -0.297 -14.423 1.00 2.12 C ATOM 2209 OE1 GLU B 37 -12.088 0.491 -14.920 1.00 3.25 O ATOM 2210 OE2 GLU B 37 -13.314 -1.370 -14.927 1.00 3.21 O ATOM 0 H GLU B 37 -13.760 3.899 -12.412 1.00 0.88 H new ATOM 0 HA GLU B 37 -15.006 1.683 -11.364 1.00 0.91 H new ATOM 0 HB2 GLU B 37 -14.003 2.078 -13.632 1.00 0.99 H new ATOM 0 HB3 GLU B 37 -12.407 1.916 -12.928 1.00 0.99 H new ATOM 0 HG2 GLU B 37 -12.937 -0.434 -12.274 1.00 1.24 H new ATOM 0 HG3 GLU B 37 -14.530 -0.270 -12.988 1.00 1.24 H new ATOM 2217 N PHE B 38 -11.943 1.937 -10.145 1.00 0.73 N ATOM 2218 CA PHE B 38 -11.128 1.642 -8.974 1.00 0.65 C ATOM 2219 C PHE B 38 -11.873 1.946 -7.669 1.00 0.65 C ATOM 2220 O PHE B 38 -11.963 1.067 -6.812 1.00 0.66 O ATOM 2221 CB PHE B 38 -9.795 2.392 -9.059 1.00 0.60 C ATOM 2222 CG PHE B 38 -9.149 2.667 -7.715 1.00 0.75 C ATOM 2223 CD1 PHE B 38 -8.441 1.648 -7.062 1.00 1.55 C ATOM 2224 CD2 PHE B 38 -9.374 3.892 -7.059 1.00 1.95 C ATOM 2225 CE1 PHE B 38 -7.868 1.889 -5.803 1.00 1.67 C ATOM 2226 CE2 PHE B 38 -8.925 4.074 -5.740 1.00 2.21 C ATOM 2227 CZ PHE B 38 -8.134 3.091 -5.127 1.00 1.44 C ATOM 0 H PHE B 38 -11.464 2.505 -10.843 1.00 0.73 H new ATOM 0 HA PHE B 38 -10.918 0.573 -8.964 1.00 0.65 H new ATOM 0 HB2 PHE B 38 -9.103 1.812 -9.670 1.00 0.60 H new ATOM 0 HB3 PHE B 38 -9.956 3.340 -9.573 1.00 0.60 H new ATOM 0 HD1 PHE B 38 -8.337 0.679 -7.527 1.00 1.55 H new ATOM 0 HD2 PHE B 38 -9.891 4.691 -7.569 1.00 1.95 H new ATOM 0 HE1 PHE B 38 -7.222 1.149 -5.354 1.00 1.67 H new ATOM 0 HE2 PHE B 38 -9.189 4.970 -5.198 1.00 2.21 H new ATOM 0 HZ PHE B 38 -7.731 3.258 -4.139 1.00 1.44 H new ATOM 2237 N LYS B 39 -12.397 3.169 -7.499 1.00 0.67 N ATOM 2238 CA LYS B 39 -13.140 3.536 -6.295 1.00 0.73 C ATOM 2239 C LYS B 39 -14.250 2.505 -6.032 1.00 0.82 C ATOM 2240 O LYS B 39 -14.398 2.001 -4.915 1.00 0.93 O ATOM 2241 CB LYS B 39 -13.670 4.985 -6.371 1.00 0.85 C ATOM 2242 CG LYS B 39 -14.426 5.381 -5.089 1.00 0.93 C ATOM 2243 CD LYS B 39 -15.949 5.217 -5.255 1.00 1.56 C ATOM 2244 CE LYS B 39 -16.692 5.115 -3.915 1.00 2.48 C ATOM 2245 NZ LYS B 39 -16.528 6.317 -3.072 1.00 3.70 N ATOM 0 H LYS B 39 -12.317 3.919 -8.185 1.00 0.67 H new ATOM 0 HA LYS B 39 -12.463 3.516 -5.441 1.00 0.73 H new ATOM 0 HB2 LYS B 39 -12.837 5.670 -6.529 1.00 0.85 H new ATOM 0 HB3 LYS B 39 -14.333 5.086 -7.231 1.00 0.85 H new ATOM 0 HG2 LYS B 39 -14.082 4.765 -4.258 1.00 0.93 H new ATOM 0 HG3 LYS B 39 -14.196 6.416 -4.836 1.00 0.93 H new ATOM 0 HD2 LYS B 39 -16.341 6.064 -5.818 1.00 1.56 H new ATOM 0 HD3 LYS B 39 -16.150 4.323 -5.845 1.00 1.56 H new ATOM 0 HE2 LYS B 39 -17.753 4.953 -4.105 1.00 2.48 H new ATOM 0 HE3 LYS B 39 -16.329 4.243 -3.370 1.00 2.48 H new ATOM 0 HZ1 LYS B 39 -17.051 6.191 -2.182 1.00 3.70 H new ATOM 0 HZ2 LYS B 39 -15.519 6.460 -2.864 1.00 3.70 H new ATOM 0 HZ3 LYS B 39 -16.899 7.148 -3.576 1.00 3.70 H new ATOM 2259 N GLU B 40 -15.024 2.207 -7.076 1.00 0.86 N ATOM 2260 CA GLU B 40 -16.137 1.272 -7.047 1.00 1.00 C ATOM 2261 C GLU B 40 -15.665 -0.154 -6.724 1.00 0.95 C ATOM 2262 O GLU B 40 -16.379 -0.910 -6.066 1.00 1.24 O ATOM 2263 CB GLU B 40 -16.894 1.360 -8.375 1.00 1.18 C ATOM 2264 CG GLU B 40 -17.509 2.757 -8.557 1.00 1.27 C ATOM 2265 CD GLU B 40 -18.041 2.936 -9.970 1.00 1.99 C ATOM 2266 OE1 GLU B 40 -19.194 2.510 -10.193 1.00 2.66 O ATOM 2267 OE2 GLU B 40 -17.281 3.488 -10.793 1.00 2.98 O ATOM 0 H GLU B 40 -14.884 2.627 -7.995 1.00 0.86 H new ATOM 0 HA GLU B 40 -16.823 1.542 -6.244 1.00 1.00 H new ATOM 0 HB2 GLU B 40 -16.216 1.145 -9.201 1.00 1.18 H new ATOM 0 HB3 GLU B 40 -17.679 0.605 -8.403 1.00 1.18 H new ATOM 0 HG2 GLU B 40 -18.317 2.899 -7.839 1.00 1.27 H new ATOM 0 HG3 GLU B 40 -16.759 3.519 -8.347 1.00 1.27 H new ATOM 2274 N LEU B 41 -14.464 -0.538 -7.157 1.00 0.78 N ATOM 2275 CA LEU B 41 -13.879 -1.825 -6.810 1.00 0.74 C ATOM 2276 C LEU B 41 -13.454 -1.848 -5.341 1.00 0.65 C ATOM 2277 O LEU B 41 -13.945 -2.683 -4.581 1.00 0.71 O ATOM 2278 CB LEU B 41 -12.722 -2.164 -7.757 1.00 0.82 C ATOM 2279 CG LEU B 41 -13.228 -2.568 -9.150 1.00 1.09 C ATOM 2280 CD1 LEU B 41 -12.074 -2.484 -10.152 1.00 2.52 C ATOM 2281 CD2 LEU B 41 -13.790 -3.996 -9.165 1.00 2.25 C ATOM 0 H LEU B 41 -13.873 0.037 -7.758 1.00 0.78 H new ATOM 0 HA LEU B 41 -14.634 -2.601 -6.935 1.00 0.74 H new ATOM 0 HB2 LEU B 41 -12.060 -1.303 -7.846 1.00 0.82 H new ATOM 0 HB3 LEU B 41 -12.132 -2.977 -7.334 1.00 0.82 H new ATOM 0 HG LEU B 41 -14.031 -1.882 -9.421 1.00 1.09 H new ATOM 0 HD11 LEU B 41 -12.430 -2.770 -11.142 1.00 2.52 H new ATOM 0 HD12 LEU B 41 -11.694 -1.463 -10.184 1.00 2.52 H new ATOM 0 HD13 LEU B 41 -11.275 -3.159 -9.845 1.00 2.52 H new ATOM 0 HD21 LEU B 41 -14.136 -4.240 -10.169 1.00 2.25 H new ATOM 0 HD22 LEU B 41 -13.010 -4.697 -8.870 1.00 2.25 H new ATOM 0 HD23 LEU B 41 -14.624 -4.066 -8.467 1.00 2.25 H new ATOM 2293 N VAL B 42 -12.572 -0.941 -4.903 1.00 0.61 N ATOM 2294 CA VAL B 42 -12.076 -0.982 -3.525 1.00 0.60 C ATOM 2295 C VAL B 42 -13.238 -0.948 -2.522 1.00 0.68 C ATOM 2296 O VAL B 42 -13.205 -1.675 -1.533 1.00 0.74 O ATOM 2297 CB VAL B 42 -11.024 0.095 -3.214 1.00 0.62 C ATOM 2298 CG1 VAL B 42 -9.770 -0.117 -4.065 1.00 1.52 C ATOM 2299 CG2 VAL B 42 -11.524 1.533 -3.368 1.00 1.61 C ATOM 0 H VAL B 42 -12.194 -0.184 -5.472 1.00 0.61 H new ATOM 0 HA VAL B 42 -11.555 -1.933 -3.417 1.00 0.60 H new ATOM 0 HB VAL B 42 -10.788 -0.029 -2.157 1.00 0.62 H new ATOM 0 HG11 VAL B 42 -9.037 0.655 -3.831 1.00 1.52 H new ATOM 0 HG12 VAL B 42 -9.346 -1.098 -3.850 1.00 1.52 H new ATOM 0 HG13 VAL B 42 -10.033 -0.059 -5.121 1.00 1.52 H new ATOM 0 HG21 VAL B 42 -10.717 2.226 -3.129 1.00 1.61 H new ATOM 0 HG22 VAL B 42 -11.851 1.697 -4.395 1.00 1.61 H new ATOM 0 HG23 VAL B 42 -12.360 1.702 -2.690 1.00 1.61 H new ATOM 2309 N THR B 43 -14.288 -0.151 -2.765 1.00 0.80 N ATOM 2310 CA THR B 43 -15.423 -0.121 -1.841 1.00 0.95 C ATOM 2311 C THR B 43 -16.149 -1.471 -1.748 1.00 0.98 C ATOM 2312 O THR B 43 -16.817 -1.718 -0.746 1.00 1.23 O ATOM 2313 CB THR B 43 -16.398 1.027 -2.151 1.00 1.13 C ATOM 2314 OG1 THR B 43 -17.353 1.162 -1.120 1.00 1.71 O ATOM 2315 CG2 THR B 43 -17.161 0.830 -3.457 1.00 1.51 C ATOM 0 H THR B 43 -14.373 0.466 -3.573 1.00 0.80 H new ATOM 0 HA THR B 43 -15.000 0.074 -0.856 1.00 0.95 H new ATOM 0 HB THR B 43 -15.778 1.919 -2.238 1.00 1.13 H new ATOM 0 HG1 THR B 43 -17.461 0.304 -0.659 1.00 1.71 H new ATOM 0 HG21 THR B 43 -17.832 1.674 -3.617 1.00 1.51 H new ATOM 0 HG22 THR B 43 -16.455 0.765 -4.285 1.00 1.51 H new ATOM 0 HG23 THR B 43 -17.743 -0.090 -3.403 1.00 1.51 H new ATOM 2323 N GLN B 44 -16.072 -2.320 -2.777 1.00 0.97 N ATOM 2324 CA GLN B 44 -16.583 -3.682 -2.701 1.00 1.06 C ATOM 2325 C GLN B 44 -15.559 -4.559 -1.981 1.00 0.99 C ATOM 2326 O GLN B 44 -15.904 -5.286 -1.055 1.00 1.09 O ATOM 2327 CB GLN B 44 -16.892 -4.216 -4.104 1.00 1.16 C ATOM 2328 CG GLN B 44 -18.114 -3.513 -4.703 1.00 1.58 C ATOM 2329 CD GLN B 44 -18.310 -3.914 -6.159 1.00 2.26 C ATOM 2330 OE1 GLN B 44 -19.021 -4.867 -6.458 1.00 3.24 O ATOM 2331 NE2 GLN B 44 -17.673 -3.195 -7.075 1.00 2.91 N ATOM 0 H GLN B 44 -15.656 -2.080 -3.677 1.00 0.97 H new ATOM 0 HA GLN B 44 -17.515 -3.697 -2.136 1.00 1.06 H new ATOM 0 HB2 GLN B 44 -16.028 -4.067 -4.752 1.00 1.16 H new ATOM 0 HB3 GLN B 44 -17.073 -5.290 -4.056 1.00 1.16 H new ATOM 0 HG2 GLN B 44 -19.004 -3.768 -4.128 1.00 1.58 H new ATOM 0 HG3 GLN B 44 -17.988 -2.433 -4.633 1.00 1.58 H new ATOM 0 HE21 GLN B 44 -17.089 -2.408 -6.791 1.00 2.91 H new ATOM 0 HE22 GLN B 44 -17.767 -3.429 -8.063 1.00 2.91 H new ATOM 2340 N GLN B 45 -14.299 -4.487 -2.417 1.00 0.89 N ATOM 2341 CA GLN B 45 -13.215 -5.312 -1.899 1.00 0.88 C ATOM 2342 C GLN B 45 -12.893 -5.037 -0.429 1.00 0.89 C ATOM 2343 O GLN B 45 -12.289 -5.887 0.208 1.00 0.99 O ATOM 2344 CB GLN B 45 -11.956 -5.133 -2.749 1.00 0.90 C ATOM 2345 CG GLN B 45 -11.876 -6.123 -3.915 1.00 0.76 C ATOM 2346 CD GLN B 45 -12.905 -5.837 -5.004 1.00 0.96 C ATOM 2347 OE1 GLN B 45 -12.615 -5.140 -5.970 1.00 1.69 O ATOM 2348 NE2 GLN B 45 -14.113 -6.378 -4.872 1.00 1.62 N ATOM 0 H GLN B 45 -14.003 -3.843 -3.151 1.00 0.89 H new ATOM 0 HA GLN B 45 -13.562 -6.344 -1.959 1.00 0.88 H new ATOM 0 HB2 GLN B 45 -11.930 -4.116 -3.140 1.00 0.90 H new ATOM 0 HB3 GLN B 45 -11.077 -5.253 -2.116 1.00 0.90 H new ATOM 0 HG2 GLN B 45 -10.876 -6.088 -4.348 1.00 0.76 H new ATOM 0 HG3 GLN B 45 -12.025 -7.135 -3.538 1.00 0.76 H new ATOM 0 HE21 GLN B 45 -14.328 -6.954 -4.058 1.00 1.62 H new ATOM 0 HE22 GLN B 45 -14.825 -6.217 -5.585 1.00 1.62 H new ATOM 2357 N LEU B 46 -13.253 -3.869 0.104 1.00 0.83 N ATOM 2358 CA LEU B 46 -13.231 -3.598 1.533 1.00 0.77 C ATOM 2359 C LEU B 46 -14.678 -3.445 2.008 1.00 0.79 C ATOM 2360 O LEU B 46 -15.099 -2.324 2.282 1.00 0.88 O ATOM 2361 CB LEU B 46 -12.443 -2.311 1.840 1.00 0.80 C ATOM 2362 CG LEU B 46 -10.922 -2.420 1.653 1.00 0.94 C ATOM 2363 CD1 LEU B 46 -10.491 -2.115 0.214 1.00 1.04 C ATOM 2364 CD2 LEU B 46 -10.236 -1.442 2.610 1.00 1.54 C ATOM 0 H LEU B 46 -13.571 -3.078 -0.456 1.00 0.83 H new ATOM 0 HA LEU B 46 -12.738 -4.420 2.052 1.00 0.77 H new ATOM 0 HB2 LEU B 46 -12.816 -1.513 1.199 1.00 0.80 H new ATOM 0 HB3 LEU B 46 -12.647 -2.015 2.869 1.00 0.80 H new ATOM 0 HG LEU B 46 -10.627 -3.447 1.870 1.00 0.94 H new ATOM 0 HD11 LEU B 46 -9.408 -2.205 0.132 1.00 1.04 H new ATOM 0 HD12 LEU B 46 -10.966 -2.822 -0.466 1.00 1.04 H new ATOM 0 HD13 LEU B 46 -10.792 -1.101 -0.049 1.00 1.04 H new ATOM 0 HD21 LEU B 46 -9.155 -1.510 2.487 1.00 1.54 H new ATOM 0 HD22 LEU B 46 -10.563 -0.426 2.388 1.00 1.54 H new ATOM 0 HD23 LEU B 46 -10.500 -1.692 3.637 1.00 1.54 H new ATOM 2376 N PRO B 47 -15.455 -4.522 2.203 1.00 0.78 N ATOM 2377 CA PRO B 47 -16.861 -4.412 2.582 1.00 0.85 C ATOM 2378 C PRO B 47 -17.053 -3.976 4.047 1.00 0.94 C ATOM 2379 O PRO B 47 -18.149 -4.123 4.602 1.00 1.12 O ATOM 2380 CB PRO B 47 -17.428 -5.813 2.324 1.00 0.90 C ATOM 2381 CG PRO B 47 -16.238 -6.723 2.633 1.00 0.85 C ATOM 2382 CD PRO B 47 -15.052 -5.917 2.104 1.00 0.79 C ATOM 0 HA PRO B 47 -17.374 -3.639 2.009 1.00 0.85 H new ATOM 0 HB2 PRO B 47 -18.280 -6.029 2.968 1.00 0.90 H new ATOM 0 HB3 PRO B 47 -17.769 -5.928 1.295 1.00 0.90 H new ATOM 0 HG2 PRO B 47 -16.148 -6.923 3.701 1.00 0.85 H new ATOM 0 HG3 PRO B 47 -16.326 -7.688 2.134 1.00 0.85 H new ATOM 0 HD2 PRO B 47 -14.154 -6.109 2.691 1.00 0.79 H new ATOM 0 HD3 PRO B 47 -14.822 -6.187 1.073 1.00 0.79 H new ATOM 2390 N HIS B 48 -16.007 -3.437 4.688 1.00 1.08 N ATOM 2391 CA HIS B 48 -15.961 -3.177 6.112 1.00 1.14 C ATOM 2392 C HIS B 48 -16.972 -2.095 6.488 1.00 1.26 C ATOM 2393 O HIS B 48 -17.872 -2.343 7.291 1.00 1.92 O ATOM 2394 CB HIS B 48 -14.533 -2.825 6.543 1.00 1.33 C ATOM 2395 CG HIS B 48 -14.411 -2.604 8.030 1.00 1.62 C ATOM 2396 ND1 HIS B 48 -14.255 -1.387 8.647 1.00 2.98 N ATOM 2397 CD2 HIS B 48 -14.506 -3.554 9.013 1.00 2.36 C ATOM 2398 CE1 HIS B 48 -14.257 -1.598 9.975 1.00 3.50 C ATOM 2399 NE2 HIS B 48 -14.419 -2.901 10.248 1.00 3.25 N ATOM 0 H HIS B 48 -15.150 -3.166 4.205 1.00 1.08 H new ATOM 0 HA HIS B 48 -16.244 -4.079 6.654 1.00 1.14 H new ATOM 0 HB2 HIS B 48 -13.859 -3.627 6.243 1.00 1.33 H new ATOM 0 HB3 HIS B 48 -14.211 -1.925 6.019 1.00 1.33 H new ATOM 0 HD2 HIS B 48 -14.626 -4.617 8.862 1.00 2.36 H new ATOM 0 HE1 HIS B 48 -14.144 -0.824 10.720 1.00 3.50 H new ATOM 0 HE2 HIS B 48 -14.469 -3.331 11.172 1.00 3.25 H new ATOM 2407 N LEU B 49 -16.871 -0.901 5.891 1.00 1.54 N ATOM 2408 CA LEU B 49 -17.802 0.190 6.180 1.00 1.61 C ATOM 2409 C LEU B 49 -17.756 1.281 5.106 1.00 1.65 C ATOM 2410 O LEU B 49 -18.789 1.639 4.552 1.00 1.89 O ATOM 2411 CB LEU B 49 -17.529 0.765 7.587 1.00 1.54 C ATOM 2412 CG LEU B 49 -18.812 1.116 8.357 1.00 1.74 C ATOM 2413 CD1 LEU B 49 -18.439 1.591 9.766 1.00 2.09 C ATOM 2414 CD2 LEU B 49 -19.655 2.181 7.646 1.00 3.43 C ATOM 0 H LEU B 49 -16.153 -0.669 5.205 1.00 1.54 H new ATOM 0 HA LEU B 49 -18.813 -0.217 6.165 1.00 1.61 H new ATOM 0 HB2 LEU B 49 -16.954 0.040 8.163 1.00 1.54 H new ATOM 0 HB3 LEU B 49 -16.913 1.659 7.494 1.00 1.54 H new ATOM 0 HG LEU B 49 -19.425 0.216 8.410 1.00 1.74 H new ATOM 0 HD11 LEU B 49 -19.345 1.842 10.317 1.00 2.09 H new ATOM 0 HD12 LEU B 49 -17.905 0.797 10.288 1.00 2.09 H new ATOM 0 HD13 LEU B 49 -17.802 2.472 9.696 1.00 2.09 H new ATOM 0 HD21 LEU B 49 -20.549 2.390 8.234 1.00 3.43 H new ATOM 0 HD22 LEU B 49 -19.071 3.095 7.537 1.00 3.43 H new ATOM 0 HD23 LEU B 49 -19.946 1.817 6.661 1.00 3.43 H new ATOM 2426 N LEU B 50 -16.562 1.822 4.843 1.00 1.57 N ATOM 2427 CA LEU B 50 -16.350 3.023 4.034 1.00 1.76 C ATOM 2428 C LEU B 50 -17.079 4.218 4.651 1.00 1.58 C ATOM 2429 O LEU B 50 -17.849 4.926 4.008 1.00 1.88 O ATOM 2430 CB LEU B 50 -16.698 2.846 2.549 1.00 2.31 C ATOM 2431 CG LEU B 50 -15.913 1.758 1.803 1.00 2.50 C ATOM 2432 CD1 LEU B 50 -14.419 1.740 2.141 1.00 4.11 C ATOM 2433 CD2 LEU B 50 -16.531 0.370 1.992 1.00 2.08 C ATOM 0 H LEU B 50 -15.693 1.424 5.198 1.00 1.57 H new ATOM 0 HA LEU B 50 -15.278 3.219 4.048 1.00 1.76 H new ATOM 0 HB2 LEU B 50 -17.761 2.619 2.469 1.00 2.31 H new ATOM 0 HB3 LEU B 50 -16.536 3.797 2.042 1.00 2.31 H new ATOM 0 HG LEU B 50 -15.990 2.024 0.749 1.00 2.50 H new ATOM 0 HD11 LEU B 50 -13.928 0.946 1.578 1.00 4.11 H new ATOM 0 HD12 LEU B 50 -13.975 2.700 1.878 1.00 4.11 H new ATOM 0 HD13 LEU B 50 -14.290 1.561 3.208 1.00 4.11 H new ATOM 0 HD21 LEU B 50 -15.942 -0.368 1.447 1.00 2.08 H new ATOM 0 HD22 LEU B 50 -16.539 0.116 3.052 1.00 2.08 H new ATOM 0 HD23 LEU B 50 -17.553 0.372 1.612 1.00 2.08 H new ATOM 2445 N LYS B 51 -16.811 4.424 5.939 1.00 1.23 N ATOM 2446 CA LYS B 51 -17.286 5.577 6.693 1.00 1.22 C ATOM 2447 C LYS B 51 -16.611 6.867 6.230 1.00 1.34 C ATOM 2448 O LYS B 51 -17.173 7.938 6.437 1.00 1.56 O ATOM 2449 CB LYS B 51 -17.066 5.349 8.192 1.00 1.13 C ATOM 2450 CG LYS B 51 -15.589 5.138 8.557 1.00 1.13 C ATOM 2451 CD LYS B 51 -14.771 6.392 8.873 1.00 1.43 C ATOM 2452 CE LYS B 51 -14.945 6.954 10.279 1.00 1.67 C ATOM 2453 NZ LYS B 51 -16.150 7.805 10.396 1.00 2.81 N ATOM 0 H LYS B 51 -16.247 3.781 6.496 1.00 1.23 H new ATOM 0 HA LYS B 51 -18.354 5.689 6.508 1.00 1.22 H new ATOM 0 HB2 LYS B 51 -17.452 6.205 8.745 1.00 1.13 H new ATOM 0 HB3 LYS B 51 -17.641 4.479 8.510 1.00 1.13 H new ATOM 0 HG2 LYS B 51 -15.544 4.476 9.422 1.00 1.13 H new ATOM 0 HG3 LYS B 51 -15.106 4.616 7.731 1.00 1.13 H new ATOM 0 HD2 LYS B 51 -13.716 6.164 8.720 1.00 1.43 H new ATOM 0 HD3 LYS B 51 -15.037 7.168 8.155 1.00 1.43 H new ATOM 0 HE2 LYS B 51 -15.013 6.132 10.991 1.00 1.67 H new ATOM 0 HE3 LYS B 51 -14.064 7.536 10.547 1.00 1.67 H new ATOM 0 HZ1 LYS B 51 -16.016 8.493 11.164 1.00 2.81 H new ATOM 0 HZ2 LYS B 51 -16.306 8.311 9.501 1.00 2.81 H new ATOM 0 HZ3 LYS B 51 -16.977 7.210 10.605 1.00 2.81 H new ATOM 2467 N ASP B 52 -15.384 6.744 5.705 1.00 1.28 N ATOM 2468 CA ASP B 52 -14.635 7.746 4.952 1.00 1.42 C ATOM 2469 C ASP B 52 -14.790 9.175 5.493 1.00 1.59 C ATOM 2470 O ASP B 52 -15.693 9.909 5.106 1.00 1.84 O ATOM 2471 CB ASP B 52 -14.902 7.600 3.439 1.00 1.70 C ATOM 2472 CG ASP B 52 -14.195 6.394 2.810 1.00 2.05 C ATOM 2473 OD1 ASP B 52 -14.179 5.343 3.490 1.00 2.32 O ATOM 2474 OD2 ASP B 52 -13.665 6.541 1.679 1.00 3.06 O ATOM 0 H ASP B 52 -14.856 5.877 5.806 1.00 1.28 H new ATOM 0 HA ASP B 52 -13.575 7.544 5.103 1.00 1.42 H new ATOM 0 HB2 ASP B 52 -15.976 7.509 3.274 1.00 1.70 H new ATOM 0 HB3 ASP B 52 -14.577 8.508 2.931 1.00 1.70 H new ATOM 2479 N VAL B 53 -13.883 9.574 6.393 1.00 1.61 N ATOM 2480 CA VAL B 53 -13.845 10.928 6.946 1.00 1.83 C ATOM 2481 C VAL B 53 -13.134 11.875 5.987 1.00 1.41 C ATOM 2482 O VAL B 53 -12.628 11.423 4.974 1.00 2.12 O ATOM 2483 CB VAL B 53 -13.128 10.953 8.306 1.00 3.07 C ATOM 2484 CG1 VAL B 53 -14.021 10.349 9.387 1.00 3.40 C ATOM 2485 CG2 VAL B 53 -11.770 10.236 8.287 1.00 4.31 C ATOM 0 H VAL B 53 -13.153 8.962 6.758 1.00 1.61 H new ATOM 0 HA VAL B 53 -14.875 11.255 7.086 1.00 1.83 H new ATOM 0 HB VAL B 53 -12.929 12.001 8.531 1.00 3.07 H new ATOM 0 HG11 VAL B 53 -13.501 10.373 10.344 1.00 3.40 H new ATOM 0 HG12 VAL B 53 -14.943 10.925 9.461 1.00 3.40 H new ATOM 0 HG13 VAL B 53 -14.258 9.317 9.129 1.00 3.40 H new ATOM 0 HG21 VAL B 53 -11.316 10.290 9.277 1.00 4.31 H new ATOM 0 HG22 VAL B 53 -11.914 9.192 8.010 1.00 4.31 H new ATOM 0 HG23 VAL B 53 -11.115 10.717 7.561 1.00 4.31 H new ATOM 2495 N GLY B 54 -13.077 13.173 6.314 1.00 1.60 N ATOM 2496 CA GLY B 54 -12.439 14.246 5.551 1.00 1.91 C ATOM 2497 C GLY B 54 -11.208 13.844 4.727 1.00 1.58 C ATOM 2498 O GLY B 54 -11.038 14.338 3.618 1.00 1.66 O ATOM 0 H GLY B 54 -13.503 13.520 7.173 1.00 1.60 H new ATOM 0 HA2 GLY B 54 -13.179 14.675 4.876 1.00 1.91 H new ATOM 0 HA3 GLY B 54 -12.146 15.034 6.245 1.00 1.91 H new ATOM 2502 N SER B 55 -10.362 12.947 5.244 1.00 1.75 N ATOM 2503 CA SER B 55 -9.266 12.306 4.526 1.00 1.90 C ATOM 2504 C SER B 55 -9.638 11.934 3.081 1.00 1.90 C ATOM 2505 O SER B 55 -8.876 12.195 2.149 1.00 2.32 O ATOM 2506 CB SER B 55 -8.890 11.058 5.330 1.00 2.31 C ATOM 2507 OG SER B 55 -8.748 11.414 6.696 1.00 3.09 O ATOM 0 H SER B 55 -10.429 12.638 6.214 1.00 1.75 H new ATOM 0 HA SER B 55 -8.428 12.998 4.439 1.00 1.90 H new ATOM 0 HB2 SER B 55 -9.658 10.293 5.218 1.00 2.31 H new ATOM 0 HB3 SER B 55 -7.960 10.633 4.953 1.00 2.31 H new ATOM 0 HG SER B 55 -8.509 10.620 7.218 1.00 3.09 H new ATOM 2513 N LEU B 56 -10.842 11.380 2.922 1.00 1.61 N ATOM 2514 CA LEU B 56 -11.480 10.986 1.679 1.00 1.74 C ATOM 2515 C LEU B 56 -11.371 12.075 0.620 1.00 1.84 C ATOM 2516 O LEU B 56 -11.264 11.748 -0.558 1.00 1.86 O ATOM 2517 CB LEU B 56 -12.937 10.534 1.953 1.00 1.59 C ATOM 2518 CG LEU B 56 -14.055 11.536 1.593 1.00 2.30 C ATOM 2519 CD1 LEU B 56 -14.574 11.233 0.186 1.00 2.20 C ATOM 2520 CD2 LEU B 56 -15.242 11.468 2.554 1.00 3.55 C ATOM 0 H LEU B 56 -11.437 11.183 3.727 1.00 1.61 H new ATOM 0 HA LEU B 56 -10.951 10.129 1.262 1.00 1.74 H new ATOM 0 HB2 LEU B 56 -13.116 9.612 1.400 1.00 1.59 H new ATOM 0 HB3 LEU B 56 -13.025 10.293 3.012 1.00 1.59 H new ATOM 0 HG LEU B 56 -13.618 12.532 1.658 1.00 2.30 H new ATOM 0 HD11 LEU B 56 -15.364 11.939 -0.070 1.00 2.20 H new ATOM 0 HD12 LEU B 56 -13.758 11.325 -0.531 1.00 2.20 H new ATOM 0 HD13 LEU B 56 -14.971 10.218 0.155 1.00 2.20 H new ATOM 0 HD21 LEU B 56 -15.997 12.194 2.252 1.00 3.55 H new ATOM 0 HD22 LEU B 56 -15.672 10.467 2.531 1.00 3.55 H new ATOM 0 HD23 LEU B 56 -14.905 11.695 3.565 1.00 3.55 H new ATOM 2532 N ASP B 57 -11.408 13.352 1.019 1.00 1.95 N ATOM 2533 CA ASP B 57 -11.426 14.476 0.093 1.00 2.07 C ATOM 2534 C ASP B 57 -10.324 14.360 -0.967 1.00 1.98 C ATOM 2535 O ASP B 57 -10.613 14.505 -2.152 1.00 1.95 O ATOM 2536 CB ASP B 57 -11.353 15.805 0.850 1.00 2.37 C ATOM 2537 CG ASP B 57 -11.325 16.977 -0.114 1.00 3.34 C ATOM 2538 OD1 ASP B 57 -11.963 16.899 -1.186 1.00 3.78 O ATOM 2539 OD2 ASP B 57 -10.552 17.932 0.122 1.00 4.60 O ATOM 0 H ASP B 57 -11.426 13.629 2.000 1.00 1.95 H new ATOM 0 HA ASP B 57 -12.375 14.451 -0.442 1.00 2.07 H new ATOM 0 HB2 ASP B 57 -12.212 15.897 1.515 1.00 2.37 H new ATOM 0 HB3 ASP B 57 -10.461 15.823 1.476 1.00 2.37 H new ATOM 2544 N GLU B 58 -9.082 14.051 -0.560 1.00 2.00 N ATOM 2545 CA GLU B 58 -7.983 13.708 -1.468 1.00 2.02 C ATOM 2546 C GLU B 58 -8.473 12.811 -2.609 1.00 1.60 C ATOM 2547 O GLU B 58 -8.274 13.100 -3.789 1.00 1.63 O ATOM 2548 CB GLU B 58 -6.872 12.949 -0.720 1.00 2.19 C ATOM 2549 CG GLU B 58 -5.911 13.830 0.087 1.00 2.67 C ATOM 2550 CD GLU B 58 -4.553 13.149 0.203 1.00 4.54 C ATOM 2551 OE1 GLU B 58 -3.769 13.253 -0.768 1.00 5.96 O ATOM 2552 OE2 GLU B 58 -4.294 12.465 1.222 1.00 5.23 O ATOM 0 H GLU B 58 -8.813 14.033 0.424 1.00 2.00 H new ATOM 0 HA GLU B 58 -7.597 14.646 -1.868 1.00 2.02 H new ATOM 0 HB2 GLU B 58 -7.336 12.231 -0.044 1.00 2.19 H new ATOM 0 HB3 GLU B 58 -6.293 12.377 -1.445 1.00 2.19 H new ATOM 0 HG2 GLU B 58 -5.800 14.800 -0.397 1.00 2.67 H new ATOM 0 HG3 GLU B 58 -6.321 14.014 1.080 1.00 2.67 H new ATOM 2559 N LYS B 59 -9.099 11.702 -2.232 1.00 1.28 N ATOM 2560 CA LYS B 59 -9.609 10.710 -3.151 1.00 0.94 C ATOM 2561 C LYS B 59 -10.729 11.311 -3.984 1.00 0.83 C ATOM 2562 O LYS B 59 -10.668 11.280 -5.211 1.00 0.79 O ATOM 2563 CB LYS B 59 -10.049 9.470 -2.352 1.00 0.79 C ATOM 2564 CG LYS B 59 -9.013 8.385 -2.610 1.00 0.95 C ATOM 2565 CD LYS B 59 -8.960 7.265 -1.576 1.00 0.87 C ATOM 2566 CE LYS B 59 -10.237 6.443 -1.390 1.00 1.12 C ATOM 2567 NZ LYS B 59 -11.091 6.976 -0.294 1.00 1.38 N ATOM 0 H LYS B 59 -9.266 11.469 -1.253 1.00 1.28 H new ATOM 0 HA LYS B 59 -8.836 10.391 -3.851 1.00 0.94 H new ATOM 0 HB2 LYS B 59 -10.111 9.699 -1.288 1.00 0.79 H new ATOM 0 HB3 LYS B 59 -11.039 9.140 -2.666 1.00 0.79 H new ATOM 0 HG2 LYS B 59 -9.211 7.944 -3.587 1.00 0.95 H new ATOM 0 HG3 LYS B 59 -8.030 8.852 -2.664 1.00 0.95 H new ATOM 0 HD2 LYS B 59 -8.154 6.585 -1.852 1.00 0.87 H new ATOM 0 HD3 LYS B 59 -8.693 7.702 -0.614 1.00 0.87 H new ATOM 0 HE2 LYS B 59 -10.804 6.439 -2.321 1.00 1.12 H new ATOM 0 HE3 LYS B 59 -9.973 5.408 -1.173 1.00 1.12 H new ATOM 0 HZ1 LYS B 59 -11.854 6.300 -0.089 1.00 1.38 H new ATOM 0 HZ2 LYS B 59 -10.513 7.116 0.559 1.00 1.38 H new ATOM 0 HZ3 LYS B 59 -11.503 7.885 -0.586 1.00 1.38 H new ATOM 2581 N MET B 60 -11.740 11.858 -3.311 1.00 1.00 N ATOM 2582 CA MET B 60 -12.899 12.447 -3.957 1.00 1.15 C ATOM 2583 C MET B 60 -12.463 13.367 -5.089 1.00 1.12 C ATOM 2584 O MET B 60 -12.842 13.127 -6.227 1.00 1.03 O ATOM 2585 CB MET B 60 -13.791 13.184 -2.951 1.00 1.59 C ATOM 2586 CG MET B 60 -15.240 13.194 -3.458 1.00 1.59 C ATOM 2587 SD MET B 60 -16.443 14.052 -2.412 1.00 2.65 S ATOM 2588 CE MET B 60 -15.924 15.765 -2.652 1.00 4.22 C ATOM 0 H MET B 60 -11.773 11.902 -2.292 1.00 1.00 H new ATOM 0 HA MET B 60 -13.496 11.640 -4.382 1.00 1.15 H new ATOM 0 HB2 MET B 60 -13.739 12.696 -1.978 1.00 1.59 H new ATOM 0 HB3 MET B 60 -13.436 14.205 -2.815 1.00 1.59 H new ATOM 0 HG2 MET B 60 -15.255 13.654 -4.446 1.00 1.59 H new ATOM 0 HG3 MET B 60 -15.567 12.162 -3.582 1.00 1.59 H new ATOM 0 HE1 MET B 60 -16.631 16.432 -2.159 1.00 4.22 H new ATOM 0 HE2 MET B 60 -14.932 15.908 -2.225 1.00 4.22 H new ATOM 0 HE3 MET B 60 -15.896 15.991 -3.718 1.00 4.22 H new ATOM 2598 N LYS B 61 -11.639 14.379 -4.796 1.00 1.28 N ATOM 2599 CA LYS B 61 -11.182 15.312 -5.819 1.00 1.37 C ATOM 2600 C LYS B 61 -10.414 14.569 -6.921 1.00 1.20 C ATOM 2601 O LYS B 61 -10.720 14.715 -8.103 1.00 1.16 O ATOM 2602 CB LYS B 61 -10.408 16.488 -5.200 1.00 1.68 C ATOM 2603 CG LYS B 61 -9.074 16.083 -4.560 1.00 2.70 C ATOM 2604 CD LYS B 61 -8.308 17.217 -3.882 1.00 3.22 C ATOM 2605 CE LYS B 61 -8.777 17.630 -2.478 1.00 3.12 C ATOM 2606 NZ LYS B 61 -10.137 18.198 -2.415 1.00 2.52 N ATOM 0 H LYS B 61 -11.279 14.568 -3.861 1.00 1.28 H new ATOM 0 HA LYS B 61 -12.048 15.763 -6.304 1.00 1.37 H new ATOM 0 HB2 LYS B 61 -10.218 17.233 -5.973 1.00 1.68 H new ATOM 0 HB3 LYS B 61 -11.033 16.965 -4.445 1.00 1.68 H new ATOM 0 HG2 LYS B 61 -9.265 15.303 -3.823 1.00 2.70 H new ATOM 0 HG3 LYS B 61 -8.438 15.645 -5.330 1.00 2.70 H new ATOM 0 HD2 LYS B 61 -7.259 16.927 -3.818 1.00 3.22 H new ATOM 0 HD3 LYS B 61 -8.358 18.094 -4.528 1.00 3.22 H new ATOM 0 HE2 LYS B 61 -8.734 16.758 -1.826 1.00 3.12 H new ATOM 0 HE3 LYS B 61 -8.075 18.362 -2.078 1.00 3.12 H new ATOM 0 HZ1 LYS B 61 -10.278 18.660 -1.494 1.00 2.52 H new ATOM 0 HZ2 LYS B 61 -10.256 18.898 -3.175 1.00 2.52 H new ATOM 0 HZ3 LYS B 61 -10.837 17.437 -2.532 1.00 2.52 H new ATOM 2620 N SER B 62 -9.422 13.757 -6.535 1.00 1.19 N ATOM 2621 CA SER B 62 -8.603 13.016 -7.490 1.00 1.18 C ATOM 2622 C SER B 62 -9.452 12.213 -8.483 1.00 1.03 C ATOM 2623 O SER B 62 -9.117 12.166 -9.664 1.00 1.18 O ATOM 2624 CB SER B 62 -7.601 12.104 -6.775 1.00 1.29 C ATOM 2625 OG SER B 62 -6.702 12.868 -5.993 1.00 1.55 O ATOM 0 H SER B 62 -9.169 13.599 -5.559 1.00 1.19 H new ATOM 0 HA SER B 62 -8.045 13.757 -8.063 1.00 1.18 H new ATOM 0 HB2 SER B 62 -8.134 11.397 -6.139 1.00 1.29 H new ATOM 0 HB3 SER B 62 -7.047 11.518 -7.508 1.00 1.29 H new ATOM 0 HG SER B 62 -7.143 13.143 -5.162 1.00 1.55 H new ATOM 2631 N LEU B 63 -10.533 11.576 -8.022 1.00 0.86 N ATOM 2632 CA LEU B 63 -11.436 10.880 -8.930 1.00 0.86 C ATOM 2633 C LEU B 63 -12.276 11.912 -9.701 1.00 0.92 C ATOM 2634 O LEU B 63 -12.287 11.910 -10.931 1.00 1.00 O ATOM 2635 CB LEU B 63 -12.280 9.808 -8.202 1.00 0.90 C ATOM 2636 CG LEU B 63 -11.546 8.600 -7.571 1.00 0.95 C ATOM 2637 CD1 LEU B 63 -10.035 8.736 -7.331 1.00 1.01 C ATOM 2638 CD2 LEU B 63 -12.197 8.276 -6.221 1.00 1.30 C ATOM 0 H LEU B 63 -10.798 11.530 -7.038 1.00 0.86 H new ATOM 0 HA LEU B 63 -10.854 10.319 -9.660 1.00 0.86 H new ATOM 0 HB2 LEU B 63 -12.840 10.307 -7.411 1.00 0.90 H new ATOM 0 HB3 LEU B 63 -13.009 9.420 -8.913 1.00 0.90 H new ATOM 0 HG LEU B 63 -11.647 7.816 -8.321 1.00 0.95 H new ATOM 0 HD11 LEU B 63 -9.653 7.817 -6.886 1.00 1.01 H new ATOM 0 HD12 LEU B 63 -9.531 8.916 -8.280 1.00 1.01 H new ATOM 0 HD13 LEU B 63 -9.847 9.571 -6.657 1.00 1.01 H new ATOM 0 HD21 LEU B 63 -11.688 7.426 -5.766 1.00 1.30 H new ATOM 0 HD22 LEU B 63 -12.118 9.141 -5.562 1.00 1.30 H new ATOM 0 HD23 LEU B 63 -13.248 8.031 -6.373 1.00 1.30 H new ATOM 2650 N ASP B 64 -12.948 12.810 -8.975 1.00 0.97 N ATOM 2651 CA ASP B 64 -13.891 13.799 -9.490 1.00 1.12 C ATOM 2652 C ASP B 64 -13.387 14.524 -10.739 1.00 1.09 C ATOM 2653 O ASP B 64 -14.133 14.659 -11.707 1.00 1.29 O ATOM 2654 CB ASP B 64 -14.224 14.809 -8.389 1.00 1.26 C ATOM 2655 CG ASP B 64 -15.142 15.912 -8.890 1.00 1.50 C ATOM 2656 OD1 ASP B 64 -16.368 15.678 -8.876 1.00 2.03 O ATOM 2657 OD2 ASP B 64 -14.593 16.974 -9.256 1.00 1.88 O ATOM 0 H ASP B 64 -12.842 12.867 -7.962 1.00 0.97 H new ATOM 0 HA ASP B 64 -14.788 13.259 -9.792 1.00 1.12 H new ATOM 0 HB2 ASP B 64 -14.699 14.293 -7.554 1.00 1.26 H new ATOM 0 HB3 ASP B 64 -13.302 15.249 -8.009 1.00 1.26 H new ATOM 2662 N VAL B 65 -12.133 14.990 -10.726 1.00 0.97 N ATOM 2663 CA VAL B 65 -11.631 15.841 -11.805 1.00 1.05 C ATOM 2664 C VAL B 65 -11.727 15.155 -13.164 1.00 1.13 C ATOM 2665 O VAL B 65 -12.305 15.696 -14.104 1.00 1.30 O ATOM 2666 CB VAL B 65 -10.202 16.350 -11.534 1.00 1.14 C ATOM 2667 CG1 VAL B 65 -10.242 17.265 -10.321 1.00 2.61 C ATOM 2668 CG2 VAL B 65 -9.145 15.261 -11.285 1.00 2.41 C ATOM 0 H VAL B 65 -11.456 14.794 -9.989 1.00 0.97 H new ATOM 0 HA VAL B 65 -12.281 16.715 -11.833 1.00 1.05 H new ATOM 0 HB VAL B 65 -9.892 16.858 -12.447 1.00 1.14 H new ATOM 0 HG11 VAL B 65 -9.239 17.636 -10.112 1.00 2.61 H new ATOM 0 HG12 VAL B 65 -10.906 18.106 -10.521 1.00 2.61 H new ATOM 0 HG13 VAL B 65 -10.610 16.710 -9.458 1.00 2.61 H new ATOM 0 HG21 VAL B 65 -8.177 15.728 -11.105 1.00 2.41 H new ATOM 0 HG22 VAL B 65 -9.430 14.670 -10.415 1.00 2.41 H new ATOM 0 HG23 VAL B 65 -9.078 14.612 -12.158 1.00 2.41 H new ATOM 2678 N ASN B 66 -11.108 13.981 -13.275 1.00 1.06 N ATOM 2679 CA ASN B 66 -11.003 13.262 -14.549 1.00 1.08 C ATOM 2680 C ASN B 66 -10.996 11.748 -14.346 1.00 1.08 C ATOM 2681 O ASN B 66 -10.108 11.046 -14.836 1.00 1.14 O ATOM 2682 CB ASN B 66 -9.740 13.699 -15.318 1.00 1.10 C ATOM 2683 CG ASN B 66 -9.784 15.147 -15.795 1.00 1.44 C ATOM 2684 OD1 ASN B 66 -10.318 15.442 -16.858 1.00 2.23 O ATOM 2685 ND2 ASN B 66 -9.190 16.065 -15.035 1.00 2.47 N ATOM 0 H ASN B 66 -10.666 13.501 -12.491 1.00 1.06 H new ATOM 0 HA ASN B 66 -11.884 13.517 -15.138 1.00 1.08 H new ATOM 0 HB2 ASN B 66 -8.869 13.563 -14.676 1.00 1.10 H new ATOM 0 HB3 ASN B 66 -9.606 13.046 -16.180 1.00 1.10 H new ATOM 0 HD21 ASN B 66 -9.172 17.040 -15.333 1.00 2.47 H new ATOM 0 HD22 ASN B 66 -8.753 15.793 -14.154 1.00 2.47 H new ATOM 2692 N GLN B 67 -12.036 11.218 -13.698 1.00 1.07 N ATOM 2693 CA GLN B 67 -12.104 9.789 -13.418 1.00 1.04 C ATOM 2694 C GLN B 67 -12.094 8.902 -14.665 1.00 1.24 C ATOM 2695 O GLN B 67 -11.754 7.722 -14.586 1.00 1.37 O ATOM 2696 CB GLN B 67 -13.316 9.419 -12.570 1.00 1.06 C ATOM 2697 CG GLN B 67 -14.647 9.984 -13.091 1.00 1.29 C ATOM 2698 CD GLN B 67 -15.019 11.258 -12.346 1.00 2.42 C ATOM 2699 OE1 GLN B 67 -15.373 11.204 -11.171 1.00 3.49 O ATOM 2700 NE2 GLN B 67 -14.910 12.400 -13.017 1.00 3.15 N ATOM 0 H GLN B 67 -12.835 11.755 -13.361 1.00 1.07 H new ATOM 0 HA GLN B 67 -11.188 9.594 -12.861 1.00 1.04 H new ATOM 0 HB2 GLN B 67 -13.391 8.333 -12.518 1.00 1.06 H new ATOM 0 HB3 GLN B 67 -13.156 9.776 -11.553 1.00 1.06 H new ATOM 0 HG2 GLN B 67 -14.567 10.191 -14.158 1.00 1.29 H new ATOM 0 HG3 GLN B 67 -15.436 9.242 -12.969 1.00 1.29 H new ATOM 0 HE21 GLN B 67 -14.612 12.392 -13.992 1.00 3.15 H new ATOM 0 HE22 GLN B 67 -15.125 13.285 -12.557 1.00 3.15 H new ATOM 2709 N ASP B 68 -12.524 9.466 -15.794 1.00 1.32 N ATOM 2710 CA ASP B 68 -12.533 8.821 -17.096 1.00 1.42 C ATOM 2711 C ASP B 68 -11.166 8.227 -17.452 1.00 1.49 C ATOM 2712 O ASP B 68 -11.088 7.202 -18.125 1.00 1.70 O ATOM 2713 CB ASP B 68 -12.966 9.874 -18.123 1.00 1.36 C ATOM 2714 CG ASP B 68 -12.849 9.363 -19.550 1.00 1.99 C ATOM 2715 OD1 ASP B 68 -13.815 8.709 -19.997 1.00 3.20 O ATOM 2716 OD2 ASP B 68 -11.808 9.668 -20.169 1.00 2.74 O ATOM 0 H ASP B 68 -12.887 10.419 -15.822 1.00 1.32 H new ATOM 0 HA ASP B 68 -13.229 7.982 -17.089 1.00 1.42 H new ATOM 0 HB2 ASP B 68 -13.997 10.168 -17.927 1.00 1.36 H new ATOM 0 HB3 ASP B 68 -12.352 10.767 -18.007 1.00 1.36 H new ATOM 2721 N SER B 69 -10.087 8.856 -16.974 1.00 1.39 N ATOM 2722 CA SER B 69 -8.739 8.400 -17.268 1.00 1.51 C ATOM 2723 C SER B 69 -8.465 6.983 -16.744 1.00 1.67 C ATOM 2724 O SER B 69 -9.280 6.360 -16.055 1.00 2.94 O ATOM 2725 CB SER B 69 -7.729 9.403 -16.693 1.00 1.43 C ATOM 2726 OG SER B 69 -6.431 9.153 -17.209 1.00 1.96 O ATOM 0 H SER B 69 -10.129 9.684 -16.381 1.00 1.39 H new ATOM 0 HA SER B 69 -8.631 8.348 -18.351 1.00 1.51 H new ATOM 0 HB2 SER B 69 -8.036 10.419 -16.941 1.00 1.43 H new ATOM 0 HB3 SER B 69 -7.715 9.331 -15.606 1.00 1.43 H new ATOM 0 HG SER B 69 -5.799 9.802 -16.834 1.00 1.96 H new ATOM 2732 N GLU B 70 -7.262 6.499 -17.048 1.00 0.97 N ATOM 2733 CA GLU B 70 -6.716 5.318 -16.411 1.00 0.86 C ATOM 2734 C GLU B 70 -6.250 5.672 -15.009 1.00 0.88 C ATOM 2735 O GLU B 70 -5.866 6.806 -14.724 1.00 1.11 O ATOM 2736 CB GLU B 70 -5.509 4.770 -17.184 1.00 0.92 C ATOM 2737 CG GLU B 70 -5.920 3.821 -18.307 1.00 1.51 C ATOM 2738 CD GLU B 70 -4.707 3.304 -19.072 1.00 2.09 C ATOM 2739 OE1 GLU B 70 -3.624 3.199 -18.449 1.00 2.70 O ATOM 2740 OE2 GLU B 70 -4.869 2.962 -20.260 1.00 2.98 O ATOM 0 H GLU B 70 -6.645 6.919 -17.743 1.00 0.97 H new ATOM 0 HA GLU B 70 -7.500 4.561 -16.388 1.00 0.86 H new ATOM 0 HB2 GLU B 70 -4.942 5.601 -17.603 1.00 0.92 H new ATOM 0 HB3 GLU B 70 -4.846 4.247 -16.494 1.00 0.92 H new ATOM 0 HG2 GLU B 70 -6.474 2.980 -17.890 1.00 1.51 H new ATOM 0 HG3 GLU B 70 -6.592 4.337 -18.993 1.00 1.51 H new ATOM 2747 N LEU B 71 -6.202 4.641 -14.176 1.00 0.90 N ATOM 2748 CA LEU B 71 -5.402 4.606 -12.971 1.00 0.95 C ATOM 2749 C LEU B 71 -4.194 3.717 -13.275 1.00 0.93 C ATOM 2750 O LEU B 71 -4.227 2.930 -14.219 1.00 1.01 O ATOM 2751 CB LEU B 71 -6.276 4.046 -11.843 1.00 1.20 C ATOM 2752 CG LEU B 71 -5.723 4.253 -10.427 1.00 1.16 C ATOM 2753 CD1 LEU B 71 -5.674 5.732 -10.021 1.00 2.08 C ATOM 2754 CD2 LEU B 71 -6.675 3.538 -9.471 1.00 2.06 C ATOM 0 H LEU B 71 -6.735 3.785 -14.329 1.00 0.90 H new ATOM 0 HA LEU B 71 -5.047 5.587 -12.656 1.00 0.95 H new ATOM 0 HB2 LEU B 71 -7.261 4.510 -11.903 1.00 1.20 H new ATOM 0 HB3 LEU B 71 -6.416 2.978 -12.009 1.00 1.20 H new ATOM 0 HG LEU B 71 -4.704 3.867 -10.392 1.00 1.16 H new ATOM 0 HD11 LEU B 71 -5.275 5.819 -9.011 1.00 2.08 H new ATOM 0 HD12 LEU B 71 -5.033 6.278 -10.713 1.00 2.08 H new ATOM 0 HD13 LEU B 71 -6.680 6.151 -10.051 1.00 2.08 H new ATOM 0 HD21 LEU B 71 -6.321 3.658 -8.447 1.00 2.06 H new ATOM 0 HD22 LEU B 71 -7.673 3.967 -9.563 1.00 2.06 H new ATOM 0 HD23 LEU B 71 -6.712 2.477 -9.720 1.00 2.06 H new ATOM 2766 N LYS B 72 -3.120 3.833 -12.495 1.00 0.91 N ATOM 2767 CA LYS B 72 -1.963 2.954 -12.573 1.00 1.04 C ATOM 2768 C LYS B 72 -1.583 2.575 -11.145 1.00 0.99 C ATOM 2769 O LYS B 72 -2.068 3.195 -10.197 1.00 0.87 O ATOM 2770 CB LYS B 72 -0.797 3.629 -13.317 1.00 1.17 C ATOM 2771 CG LYS B 72 -1.118 3.906 -14.797 1.00 1.41 C ATOM 2772 CD LYS B 72 -1.703 5.306 -15.038 1.00 1.90 C ATOM 2773 CE LYS B 72 -0.601 6.372 -15.104 1.00 2.43 C ATOM 2774 NZ LYS B 72 -1.164 7.730 -14.983 1.00 3.73 N ATOM 0 H LYS B 72 -3.032 4.555 -11.780 1.00 0.91 H new ATOM 0 HA LYS B 72 -2.202 2.057 -13.145 1.00 1.04 H new ATOM 0 HB2 LYS B 72 -0.550 4.568 -12.821 1.00 1.17 H new ATOM 0 HB3 LYS B 72 0.086 2.993 -13.254 1.00 1.17 H new ATOM 0 HG2 LYS B 72 -0.208 3.793 -15.387 1.00 1.41 H new ATOM 0 HG3 LYS B 72 -1.825 3.157 -15.155 1.00 1.41 H new ATOM 0 HD2 LYS B 72 -2.270 5.309 -15.969 1.00 1.90 H new ATOM 0 HD3 LYS B 72 -2.402 5.552 -14.238 1.00 1.90 H new ATOM 0 HE2 LYS B 72 0.121 6.202 -14.305 1.00 2.43 H new ATOM 0 HE3 LYS B 72 -0.061 6.282 -16.046 1.00 2.43 H new ATOM 0 HZ1 LYS B 72 -0.394 8.429 -15.014 1.00 3.73 H new ATOM 0 HZ2 LYS B 72 -1.822 7.904 -15.769 1.00 3.73 H new ATOM 0 HZ3 LYS B 72 -1.673 7.816 -14.080 1.00 3.73 H new ATOM 2788 N PHE B 73 -0.736 1.550 -10.994 1.00 1.11 N ATOM 2789 CA PHE B 73 -0.304 1.035 -9.700 1.00 1.00 C ATOM 2790 C PHE B 73 0.155 2.168 -8.779 1.00 0.89 C ATOM 2791 O PHE B 73 -0.241 2.203 -7.620 1.00 0.71 O ATOM 2792 CB PHE B 73 0.753 -0.074 -9.866 1.00 1.27 C ATOM 2793 CG PHE B 73 1.839 0.229 -10.883 1.00 1.02 C ATOM 2794 CD1 PHE B 73 2.958 1.002 -10.521 1.00 1.93 C ATOM 2795 CD2 PHE B 73 1.682 -0.192 -12.218 1.00 2.43 C ATOM 2796 CE1 PHE B 73 3.868 1.423 -11.507 1.00 2.67 C ATOM 2797 CE2 PHE B 73 2.590 0.233 -13.203 1.00 2.79 C ATOM 2798 CZ PHE B 73 3.676 1.052 -12.849 1.00 2.52 C ATOM 0 H PHE B 73 -0.328 1.050 -11.784 1.00 1.11 H new ATOM 0 HA PHE B 73 -1.161 0.571 -9.211 1.00 1.00 H new ATOM 0 HB2 PHE B 73 1.221 -0.258 -8.899 1.00 1.27 H new ATOM 0 HB3 PHE B 73 0.249 -0.996 -10.157 1.00 1.27 H new ATOM 0 HD1 PHE B 73 3.118 1.271 -9.487 1.00 1.93 H new ATOM 0 HD2 PHE B 73 0.862 -0.843 -12.485 1.00 2.43 H new ATOM 0 HE1 PHE B 73 4.716 2.033 -11.232 1.00 2.67 H new ATOM 0 HE2 PHE B 73 2.453 -0.069 -14.231 1.00 2.79 H new ATOM 0 HZ PHE B 73 4.363 1.396 -13.608 1.00 2.52 H new ATOM 2808 N ASN B 74 0.957 3.099 -9.303 1.00 1.15 N ATOM 2809 CA ASN B 74 1.473 4.246 -8.564 1.00 1.27 C ATOM 2810 C ASN B 74 0.346 5.066 -7.912 1.00 1.03 C ATOM 2811 O ASN B 74 0.297 5.174 -6.689 1.00 1.07 O ATOM 2812 CB ASN B 74 2.353 5.081 -9.507 1.00 1.71 C ATOM 2813 CG ASN B 74 2.669 6.458 -8.935 1.00 1.54 C ATOM 2814 OD1 ASN B 74 3.604 6.613 -8.158 1.00 2.31 O ATOM 2815 ND2 ASN B 74 1.907 7.465 -9.342 1.00 2.27 N ATOM 0 H ASN B 74 1.270 3.072 -10.273 1.00 1.15 H new ATOM 0 HA ASN B 74 2.086 3.900 -7.732 1.00 1.27 H new ATOM 0 HB2 ASN B 74 3.284 4.547 -9.699 1.00 1.71 H new ATOM 0 HB3 ASN B 74 1.847 5.196 -10.466 1.00 1.71 H new ATOM 0 HD21 ASN B 74 2.090 8.411 -9.007 1.00 2.27 H new ATOM 0 HD22 ASN B 74 1.138 7.293 -9.990 1.00 2.27 H new ATOM 2822 N GLU B 75 -0.573 5.629 -8.703 1.00 0.87 N ATOM 2823 CA GLU B 75 -1.676 6.417 -8.163 1.00 0.66 C ATOM 2824 C GLU B 75 -2.589 5.561 -7.283 1.00 0.60 C ATOM 2825 O GLU B 75 -2.951 5.975 -6.183 1.00 0.68 O ATOM 2826 CB GLU B 75 -2.488 7.070 -9.286 1.00 0.68 C ATOM 2827 CG GLU B 75 -1.676 8.069 -10.118 1.00 1.17 C ATOM 2828 CD GLU B 75 -1.028 7.401 -11.315 1.00 2.37 C ATOM 2829 OE1 GLU B 75 -0.018 6.699 -11.094 1.00 3.51 O ATOM 2830 OE2 GLU B 75 -1.562 7.581 -12.430 1.00 3.45 O ATOM 0 H GLU B 75 -0.571 5.551 -9.720 1.00 0.87 H new ATOM 0 HA GLU B 75 -1.242 7.204 -7.546 1.00 0.66 H new ATOM 0 HB2 GLU B 75 -2.878 6.292 -9.943 1.00 0.68 H new ATOM 0 HB3 GLU B 75 -3.348 7.582 -8.853 1.00 0.68 H new ATOM 0 HG2 GLU B 75 -2.327 8.874 -10.458 1.00 1.17 H new ATOM 0 HG3 GLU B 75 -0.907 8.523 -9.493 1.00 1.17 H new ATOM 2837 N TYR B 76 -2.969 4.373 -7.767 1.00 0.57 N ATOM 2838 CA TYR B 76 -3.755 3.413 -6.999 1.00 0.61 C ATOM 2839 C TYR B 76 -3.207 3.321 -5.582 1.00 0.60 C ATOM 2840 O TYR B 76 -3.956 3.417 -4.611 1.00 0.60 O ATOM 2841 CB TYR B 76 -3.709 2.046 -7.693 1.00 0.72 C ATOM 2842 CG TYR B 76 -4.256 0.875 -6.895 1.00 1.03 C ATOM 2843 CD1 TYR B 76 -3.428 0.208 -5.968 1.00 2.09 C ATOM 2844 CD2 TYR B 76 -5.463 0.274 -7.292 1.00 2.66 C ATOM 2845 CE1 TYR B 76 -3.840 -1.004 -5.390 1.00 2.31 C ATOM 2846 CE2 TYR B 76 -5.901 -0.911 -6.676 1.00 2.90 C ATOM 2847 CZ TYR B 76 -5.090 -1.550 -5.727 1.00 1.84 C ATOM 2848 OH TYR B 76 -5.507 -2.716 -5.159 1.00 2.24 O ATOM 0 H TYR B 76 -2.737 4.053 -8.707 1.00 0.57 H new ATOM 0 HA TYR B 76 -4.793 3.741 -6.946 1.00 0.61 H new ATOM 0 HB2 TYR B 76 -4.267 2.116 -8.627 1.00 0.72 H new ATOM 0 HB3 TYR B 76 -2.674 1.829 -7.956 1.00 0.72 H new ATOM 0 HD1 TYR B 76 -2.471 0.632 -5.701 1.00 2.09 H new ATOM 0 HD2 TYR B 76 -6.056 0.725 -8.074 1.00 2.66 H new ATOM 0 HE1 TYR B 76 -3.198 -1.515 -4.688 1.00 2.31 H new ATOM 0 HE2 TYR B 76 -6.863 -1.330 -6.934 1.00 2.90 H new ATOM 0 HH TYR B 76 -6.394 -2.949 -5.504 1.00 2.24 H new ATOM 2858 N TRP B 77 -1.889 3.149 -5.489 1.00 0.63 N ATOM 2859 CA TRP B 77 -1.192 2.980 -4.241 1.00 0.68 C ATOM 2860 C TRP B 77 -1.633 3.965 -3.165 1.00 0.65 C ATOM 2861 O TRP B 77 -2.296 3.592 -2.197 1.00 0.72 O ATOM 2862 CB TRP B 77 0.310 3.080 -4.489 1.00 0.74 C ATOM 2863 CG TRP B 77 0.993 2.122 -3.630 1.00 0.69 C ATOM 2864 CD1 TRP B 77 1.294 2.348 -2.347 1.00 0.70 C ATOM 2865 CD2 TRP B 77 1.451 0.794 -3.962 1.00 0.67 C ATOM 2866 NE1 TRP B 77 1.807 1.189 -1.817 1.00 0.66 N ATOM 2867 CE2 TRP B 77 2.006 0.224 -2.787 1.00 0.65 C ATOM 2868 CE3 TRP B 77 1.508 0.045 -5.153 1.00 0.69 C ATOM 2869 CZ2 TRP B 77 2.610 -1.038 -2.799 1.00 0.66 C ATOM 2870 CZ3 TRP B 77 2.124 -1.212 -5.162 1.00 0.69 C ATOM 2871 CH2 TRP B 77 2.655 -1.757 -3.999 1.00 0.70 C ATOM 0 H TRP B 77 -1.275 3.125 -6.303 1.00 0.63 H new ATOM 0 HA TRP B 77 -1.443 1.992 -3.856 1.00 0.68 H new ATOM 0 HB2 TRP B 77 0.534 2.875 -5.536 1.00 0.74 H new ATOM 0 HB3 TRP B 77 0.660 4.091 -4.280 1.00 0.74 H new ATOM 0 HD1 TRP B 77 1.157 3.280 -1.819 1.00 0.70 H new ATOM 0 HE1 TRP B 77 2.016 1.056 -0.827 1.00 0.66 H new ATOM 0 HE3 TRP B 77 1.076 0.441 -6.060 1.00 0.69 H new ATOM 0 HZ2 TRP B 77 3.035 -1.451 -1.896 1.00 0.66 H new ATOM 0 HZ3 TRP B 77 2.188 -1.767 -6.087 1.00 0.69 H new ATOM 0 HH2 TRP B 77 3.104 -2.739 -4.021 1.00 0.70 H new ATOM 2882 N ARG B 78 -1.241 5.228 -3.324 1.00 0.60 N ATOM 2883 CA ARG B 78 -1.605 6.270 -2.397 1.00 0.67 C ATOM 2884 C ARG B 78 -3.116 6.266 -2.134 1.00 0.67 C ATOM 2885 O ARG B 78 -3.502 6.400 -0.983 1.00 0.72 O ATOM 2886 CB ARG B 78 -1.078 7.612 -2.899 1.00 0.73 C ATOM 2887 CG ARG B 78 -1.567 8.012 -4.289 1.00 1.35 C ATOM 2888 CD ARG B 78 -1.547 9.533 -4.394 1.00 1.69 C ATOM 2889 NE ARG B 78 -2.623 10.111 -3.563 1.00 3.26 N ATOM 2890 CZ ARG B 78 -3.132 11.349 -3.628 1.00 4.56 C ATOM 2891 NH1 ARG B 78 -2.623 12.253 -4.469 1.00 4.77 N ATOM 2892 NH2 ARG B 78 -4.148 11.679 -2.837 1.00 6.23 N ATOM 0 H ARG B 78 -0.663 5.546 -4.102 1.00 0.60 H new ATOM 0 HA ARG B 78 -1.137 6.085 -1.430 1.00 0.67 H new ATOM 0 HB2 ARG B 78 -1.367 8.388 -2.190 1.00 0.73 H new ATOM 0 HB3 ARG B 78 0.011 7.578 -2.908 1.00 0.73 H new ATOM 0 HG2 ARG B 78 -0.929 7.572 -5.055 1.00 1.35 H new ATOM 0 HG3 ARG B 78 -2.575 7.635 -4.458 1.00 1.35 H new ATOM 0 HD2 ARG B 78 -0.580 9.916 -4.069 1.00 1.69 H new ATOM 0 HD3 ARG B 78 -1.676 9.836 -5.433 1.00 1.69 H new ATOM 0 HE ARG B 78 -3.026 9.495 -2.857 1.00 3.26 H new ATOM 0 HH11 ARG B 78 -1.838 12.004 -5.071 1.00 4.77 H new ATOM 0 HH12 ARG B 78 -3.019 13.192 -4.509 1.00 4.77 H new ATOM 0 HH21 ARG B 78 -4.533 10.993 -2.188 1.00 6.23 H new ATOM 0 HH22 ARG B 78 -4.543 12.619 -2.879 1.00 6.23 H new ATOM 2906 N LEU B 79 -3.976 6.041 -3.140 1.00 0.63 N ATOM 2907 CA LEU B 79 -5.417 6.007 -2.896 1.00 0.64 C ATOM 2908 C LEU B 79 -5.794 4.876 -1.926 1.00 0.65 C ATOM 2909 O LEU B 79 -6.570 5.119 -1.005 1.00 0.69 O ATOM 2910 CB LEU B 79 -6.251 5.942 -4.187 1.00 0.64 C ATOM 2911 CG LEU B 79 -6.418 7.269 -4.964 1.00 0.86 C ATOM 2912 CD1 LEU B 79 -5.222 8.224 -4.989 1.00 1.16 C ATOM 2913 CD2 LEU B 79 -6.809 6.977 -6.416 1.00 1.23 C ATOM 0 H LEU B 79 -3.701 5.883 -4.110 1.00 0.63 H new ATOM 0 HA LEU B 79 -5.667 6.957 -2.424 1.00 0.64 H new ATOM 0 HB2 LEU B 79 -5.793 5.211 -4.853 1.00 0.64 H new ATOM 0 HB3 LEU B 79 -7.243 5.566 -3.935 1.00 0.64 H new ATOM 0 HG LEU B 79 -7.193 7.788 -4.400 1.00 0.86 H new ATOM 0 HD11 LEU B 79 -5.477 9.112 -5.567 1.00 1.16 H new ATOM 0 HD12 LEU B 79 -4.968 8.515 -3.970 1.00 1.16 H new ATOM 0 HD13 LEU B 79 -4.368 7.726 -5.448 1.00 1.16 H new ATOM 0 HD21 LEU B 79 -6.925 7.916 -6.957 1.00 1.23 H new ATOM 0 HD22 LEU B 79 -6.030 6.379 -6.889 1.00 1.23 H new ATOM 0 HD23 LEU B 79 -7.750 6.428 -6.436 1.00 1.23 H new ATOM 2925 N ILE B 80 -5.281 3.646 -2.077 1.00 0.64 N ATOM 2926 CA ILE B 80 -5.588 2.630 -1.060 1.00 0.66 C ATOM 2927 C ILE B 80 -4.983 3.039 0.292 1.00 0.62 C ATOM 2928 O ILE B 80 -5.570 2.791 1.343 1.00 0.58 O ATOM 2929 CB ILE B 80 -5.270 1.174 -1.472 1.00 0.68 C ATOM 2930 CG1 ILE B 80 -3.831 0.755 -1.171 1.00 0.71 C ATOM 2931 CG2 ILE B 80 -5.600 0.925 -2.939 1.00 0.77 C ATOM 2932 CD1 ILE B 80 -3.528 -0.733 -1.358 1.00 0.69 C ATOM 0 H ILE B 80 -4.685 3.341 -2.847 1.00 0.64 H new ATOM 0 HA ILE B 80 -6.673 2.609 -0.955 1.00 0.66 H new ATOM 0 HB ILE B 80 -5.914 0.549 -0.853 1.00 0.68 H new ATOM 0 HG12 ILE B 80 -3.162 1.328 -1.813 1.00 0.71 H new ATOM 0 HG13 ILE B 80 -3.598 1.029 -0.142 1.00 0.71 H new ATOM 0 HG21 ILE B 80 -5.364 -0.108 -3.195 1.00 0.77 H new ATOM 0 HG22 ILE B 80 -6.661 1.108 -3.109 1.00 0.77 H new ATOM 0 HG23 ILE B 80 -5.011 1.597 -3.564 1.00 0.77 H new ATOM 0 HD11 ILE B 80 -2.482 -0.924 -1.119 1.00 0.69 H new ATOM 0 HD12 ILE B 80 -4.165 -1.320 -0.696 1.00 0.69 H new ATOM 0 HD13 ILE B 80 -3.721 -1.016 -2.393 1.00 0.69 H new ATOM 2944 N GLY B 81 -3.818 3.695 0.264 1.00 0.66 N ATOM 2945 CA GLY B 81 -3.223 4.319 1.438 1.00 0.69 C ATOM 2946 C GLY B 81 -4.199 5.263 2.135 1.00 0.68 C ATOM 2947 O GLY B 81 -4.367 5.229 3.353 1.00 0.70 O ATOM 0 H GLY B 81 -3.261 3.805 -0.584 1.00 0.66 H new ATOM 0 HA2 GLY B 81 -2.903 3.546 2.137 1.00 0.69 H new ATOM 0 HA3 GLY B 81 -2.331 4.872 1.143 1.00 0.69 H new ATOM 2951 N GLU B 82 -4.854 6.108 1.343 1.00 0.69 N ATOM 2952 CA GLU B 82 -5.879 7.012 1.801 1.00 0.71 C ATOM 2953 C GLU B 82 -7.036 6.195 2.376 1.00 0.65 C ATOM 2954 O GLU B 82 -7.401 6.400 3.529 1.00 0.71 O ATOM 2955 CB GLU B 82 -6.221 8.019 0.695 1.00 0.82 C ATOM 2956 CG GLU B 82 -5.059 9.019 0.540 1.00 0.88 C ATOM 2957 CD GLU B 82 -4.654 9.308 -0.893 1.00 2.12 C ATOM 2958 OE1 GLU B 82 -5.525 9.662 -1.716 1.00 2.95 O ATOM 2959 OE2 GLU B 82 -3.428 9.323 -1.145 1.00 3.40 O ATOM 0 H GLU B 82 -4.674 6.177 0.341 1.00 0.69 H new ATOM 0 HA GLU B 82 -5.544 7.641 2.626 1.00 0.71 H new ATOM 0 HB2 GLU B 82 -6.395 7.498 -0.246 1.00 0.82 H new ATOM 0 HB3 GLU B 82 -7.141 8.549 0.941 1.00 0.82 H new ATOM 0 HG2 GLU B 82 -5.339 9.957 1.020 1.00 0.88 H new ATOM 0 HG3 GLU B 82 -4.192 8.633 1.077 1.00 0.88 H new ATOM 2966 N LEU B 83 -7.524 5.183 1.653 1.00 0.59 N ATOM 2967 CA LEU B 83 -8.536 4.271 2.165 1.00 0.58 C ATOM 2968 C LEU B 83 -8.162 3.787 3.581 1.00 0.58 C ATOM 2969 O LEU B 83 -8.976 3.903 4.501 1.00 0.62 O ATOM 2970 CB LEU B 83 -8.760 3.113 1.172 1.00 0.66 C ATOM 2971 CG LEU B 83 -10.169 2.497 1.176 1.00 1.14 C ATOM 2972 CD1 LEU B 83 -10.710 2.293 2.590 1.00 2.51 C ATOM 2973 CD2 LEU B 83 -11.168 3.330 0.366 1.00 1.98 C ATOM 0 H LEU B 83 -7.226 4.978 0.699 1.00 0.59 H new ATOM 0 HA LEU B 83 -9.486 4.796 2.258 1.00 0.58 H new ATOM 0 HB2 LEU B 83 -8.544 3.474 0.166 1.00 0.66 H new ATOM 0 HB3 LEU B 83 -8.038 2.326 1.391 1.00 0.66 H new ATOM 0 HG LEU B 83 -10.061 1.522 0.701 1.00 1.14 H new ATOM 0 HD11 LEU B 83 -11.707 1.856 2.538 1.00 2.51 H new ATOM 0 HD12 LEU B 83 -10.048 1.624 3.140 1.00 2.51 H new ATOM 0 HD13 LEU B 83 -10.761 3.254 3.102 1.00 2.51 H new ATOM 0 HD21 LEU B 83 -12.148 2.855 0.398 1.00 1.98 H new ATOM 0 HD22 LEU B 83 -11.236 4.331 0.791 1.00 1.98 H new ATOM 0 HD23 LEU B 83 -10.831 3.397 -0.669 1.00 1.98 H new ATOM 2985 N ALA B 84 -6.928 3.295 3.783 1.00 0.59 N ATOM 2986 CA ALA B 84 -6.457 2.917 5.113 1.00 0.63 C ATOM 2987 C ALA B 84 -6.644 3.993 6.205 1.00 0.70 C ATOM 2988 O ALA B 84 -6.886 3.619 7.351 1.00 0.80 O ATOM 2989 CB ALA B 84 -5.003 2.434 5.047 1.00 0.66 C ATOM 0 H ALA B 84 -6.245 3.152 3.039 1.00 0.59 H new ATOM 0 HA ALA B 84 -7.103 2.097 5.428 1.00 0.63 H new ATOM 0 HB1 ALA B 84 -4.666 2.156 6.046 1.00 0.66 H new ATOM 0 HB2 ALA B 84 -4.937 1.569 4.388 1.00 0.66 H new ATOM 0 HB3 ALA B 84 -4.371 3.234 4.661 1.00 0.66 H new ATOM 2995 N LYS B 85 -6.515 5.298 5.908 1.00 0.75 N ATOM 2996 CA LYS B 85 -6.829 6.352 6.885 1.00 0.88 C ATOM 2997 C LYS B 85 -8.330 6.644 6.968 1.00 0.90 C ATOM 2998 O LYS B 85 -8.848 6.816 8.071 1.00 1.04 O ATOM 2999 CB LYS B 85 -5.972 7.629 6.728 1.00 1.16 C ATOM 3000 CG LYS B 85 -5.978 8.242 5.327 1.00 1.56 C ATOM 3001 CD LYS B 85 -5.332 9.636 5.252 1.00 1.70 C ATOM 3002 CE LYS B 85 -5.338 10.117 3.787 1.00 2.93 C ATOM 3003 NZ LYS B 85 -4.900 11.516 3.610 1.00 3.34 N ATOM 0 H LYS B 85 -6.197 5.646 5.003 1.00 0.75 H new ATOM 0 HA LYS B 85 -6.540 5.943 7.853 1.00 0.88 H new ATOM 0 HB2 LYS B 85 -6.327 8.377 7.437 1.00 1.16 H new ATOM 0 HB3 LYS B 85 -4.943 7.394 7.001 1.00 1.16 H new ATOM 0 HG2 LYS B 85 -5.453 7.572 4.646 1.00 1.56 H new ATOM 0 HG3 LYS B 85 -7.008 8.310 4.976 1.00 1.56 H new ATOM 0 HD2 LYS B 85 -5.879 10.338 5.881 1.00 1.70 H new ATOM 0 HD3 LYS B 85 -4.311 9.598 5.631 1.00 1.70 H new ATOM 0 HE2 LYS B 85 -4.689 9.467 3.200 1.00 2.93 H new ATOM 0 HE3 LYS B 85 -6.345 10.009 3.385 1.00 2.93 H new ATOM 0 HZ1 LYS B 85 -4.465 11.628 2.672 1.00 3.34 H new ATOM 0 HZ2 LYS B 85 -5.721 12.149 3.689 1.00 3.34 H new ATOM 0 HZ3 LYS B 85 -4.205 11.758 4.345 1.00 3.34 H new ATOM 3017 N GLU B 86 -9.022 6.716 5.828 1.00 0.86 N ATOM 3018 CA GLU B 86 -10.454 6.979 5.759 1.00 0.95 C ATOM 3019 C GLU B 86 -11.233 6.103 6.743 1.00 0.99 C ATOM 3020 O GLU B 86 -11.823 6.619 7.691 1.00 1.22 O ATOM 3021 CB GLU B 86 -10.949 6.756 4.323 1.00 0.90 C ATOM 3022 CG GLU B 86 -10.953 8.039 3.483 1.00 1.11 C ATOM 3023 CD GLU B 86 -9.634 8.276 2.769 1.00 2.00 C ATOM 3024 OE1 GLU B 86 -9.522 7.735 1.647 1.00 2.59 O ATOM 3025 OE2 GLU B 86 -8.787 9.010 3.317 1.00 3.38 O ATOM 0 H GLU B 86 -8.591 6.590 4.912 1.00 0.86 H new ATOM 0 HA GLU B 86 -10.629 8.017 6.042 1.00 0.95 H new ATOM 0 HB2 GLU B 86 -10.316 6.013 3.838 1.00 0.90 H new ATOM 0 HB3 GLU B 86 -11.958 6.345 4.352 1.00 0.90 H new ATOM 0 HG2 GLU B 86 -11.755 7.984 2.747 1.00 1.11 H new ATOM 0 HG3 GLU B 86 -11.170 8.890 4.128 1.00 1.11 H new ATOM 3032 N ILE B 87 -11.284 4.792 6.497 1.00 0.88 N ATOM 3033 CA ILE B 87 -11.951 3.824 7.347 1.00 0.99 C ATOM 3034 C ILE B 87 -11.013 3.435 8.497 1.00 1.03 C ATOM 3035 O ILE B 87 -9.993 2.784 8.280 1.00 0.98 O ATOM 3036 CB ILE B 87 -12.474 2.634 6.503 1.00 0.99 C ATOM 3037 CG1 ILE B 87 -13.767 2.015 7.067 1.00 1.39 C ATOM 3038 CG2 ILE B 87 -11.441 1.531 6.228 1.00 1.14 C ATOM 3039 CD1 ILE B 87 -13.770 1.779 8.580 1.00 1.86 C ATOM 0 H ILE B 87 -10.848 4.371 5.677 1.00 0.88 H new ATOM 0 HA ILE B 87 -12.840 4.253 7.809 1.00 0.99 H new ATOM 0 HB ILE B 87 -12.698 3.097 5.542 1.00 0.99 H new ATOM 0 HG12 ILE B 87 -14.603 2.667 6.815 1.00 1.39 H new ATOM 0 HG13 ILE B 87 -13.944 1.063 6.566 1.00 1.39 H new ATOM 0 HG21 ILE B 87 -11.900 0.743 5.631 1.00 1.14 H new ATOM 0 HG22 ILE B 87 -10.595 1.952 5.684 1.00 1.14 H new ATOM 0 HG23 ILE B 87 -11.093 1.114 7.173 1.00 1.14 H new ATOM 0 HD11 ILE B 87 -14.723 1.341 8.878 1.00 1.86 H new ATOM 0 HD12 ILE B 87 -12.960 1.099 8.844 1.00 1.86 H new ATOM 0 HD13 ILE B 87 -13.630 2.728 9.097 1.00 1.86 H new ATOM 3051 N ARG B 88 -11.364 3.779 9.740 1.00 1.19 N ATOM 3052 CA ARG B 88 -10.598 3.293 10.875 1.00 1.18 C ATOM 3053 C ARG B 88 -11.050 1.864 11.204 1.00 1.21 C ATOM 3054 O ARG B 88 -12.243 1.595 11.333 1.00 1.94 O ATOM 3055 CB ARG B 88 -10.673 4.242 12.081 1.00 1.49 C ATOM 3056 CG ARG B 88 -12.078 4.567 12.619 1.00 2.34 C ATOM 3057 CD ARG B 88 -12.068 4.488 14.155 1.00 3.24 C ATOM 3058 NE ARG B 88 -13.313 4.998 14.760 1.00 4.75 N ATOM 3059 CZ ARG B 88 -13.493 6.234 15.260 1.00 5.45 C ATOM 3060 NH1 ARG B 88 -12.568 7.181 15.062 1.00 4.95 N ATOM 3061 NH2 ARG B 88 -14.600 6.520 15.954 1.00 7.14 N ATOM 0 H ARG B 88 -12.155 4.378 9.976 1.00 1.19 H new ATOM 0 HA ARG B 88 -9.541 3.268 10.610 1.00 1.18 H new ATOM 0 HB2 ARG B 88 -10.090 3.807 12.893 1.00 1.49 H new ATOM 0 HB3 ARG B 88 -10.188 5.179 11.807 1.00 1.49 H new ATOM 0 HG2 ARG B 88 -12.381 5.563 12.297 1.00 2.34 H new ATOM 0 HG3 ARG B 88 -12.806 3.865 12.213 1.00 2.34 H new ATOM 0 HD2 ARG B 88 -11.918 3.452 14.460 1.00 3.24 H new ATOM 0 HD3 ARG B 88 -11.222 5.059 14.538 1.00 3.24 H new ATOM 0 HE ARG B 88 -14.106 4.358 14.803 1.00 4.75 H new ATOM 0 HH11 ARG B 88 -11.724 6.966 14.531 1.00 4.95 H new ATOM 0 HH12 ARG B 88 -12.707 8.117 15.442 1.00 4.95 H new ATOM 0 HH21 ARG B 88 -15.308 5.801 16.104 1.00 7.14 H new ATOM 0 HH22 ARG B 88 -14.736 7.457 16.333 1.00 7.14 H new ATOM 3075 N LYS B 89 -10.076 0.960 11.341 1.00 1.27 N ATOM 3076 CA LYS B 89 -10.208 -0.474 11.613 1.00 1.30 C ATOM 3077 C LYS B 89 -11.162 -0.833 12.776 1.00 2.18 C ATOM 3078 O LYS B 89 -11.519 -2.000 12.925 1.00 2.12 O ATOM 3079 CB LYS B 89 -8.798 -1.086 11.771 1.00 2.44 C ATOM 3080 CG LYS B 89 -8.199 -1.687 10.480 1.00 2.00 C ATOM 3081 CD LYS B 89 -8.137 -0.736 9.268 1.00 1.94 C ATOM 3082 CE LYS B 89 -8.176 -1.466 7.909 1.00 2.08 C ATOM 3083 NZ LYS B 89 -6.992 -2.294 7.614 1.00 3.21 N ATOM 0 H LYS B 89 -9.097 1.234 11.258 1.00 1.27 H new ATOM 0 HA LYS B 89 -10.704 -0.924 10.753 1.00 1.30 H new ATOM 0 HB2 LYS B 89 -8.123 -0.315 12.142 1.00 2.44 H new ATOM 0 HB3 LYS B 89 -8.840 -1.866 12.532 1.00 2.44 H new ATOM 0 HG2 LYS B 89 -7.189 -2.036 10.697 1.00 2.00 H new ATOM 0 HG3 LYS B 89 -8.786 -2.563 10.202 1.00 2.00 H new ATOM 0 HD2 LYS B 89 -8.973 -0.038 9.321 1.00 1.94 H new ATOM 0 HD3 LYS B 89 -7.224 -0.144 9.327 1.00 1.94 H new ATOM 0 HE2 LYS B 89 -9.062 -2.101 7.880 1.00 2.08 H new ATOM 0 HE3 LYS B 89 -8.289 -0.725 7.118 1.00 2.08 H new ATOM 0 HZ1 LYS B 89 -7.042 -2.635 6.633 1.00 3.21 H new ATOM 0 HZ2 LYS B 89 -6.131 -1.725 7.739 1.00 3.21 H new ATOM 0 HZ3 LYS B 89 -6.967 -3.107 8.262 1.00 3.21 H new ATOM 3097 N LYS B 90 -11.525 0.125 13.639 1.00 3.40 N ATOM 3098 CA LYS B 90 -12.512 0.004 14.716 1.00 4.94 C ATOM 3099 C LYS B 90 -11.897 -0.687 15.932 1.00 4.29 C ATOM 3100 O LYS B 90 -11.883 -0.124 17.023 1.00 5.10 O ATOM 3101 CB LYS B 90 -13.821 -0.683 14.254 1.00 6.63 C ATOM 3102 CG LYS B 90 -14.941 -0.540 15.300 1.00 8.10 C ATOM 3103 CD LYS B 90 -16.145 -1.466 15.048 1.00 9.90 C ATOM 3104 CE LYS B 90 -16.896 -1.145 13.747 1.00 10.84 C ATOM 3105 NZ LYS B 90 -18.238 -1.774 13.693 1.00 12.61 N ATOM 0 H LYS B 90 -11.113 1.057 13.601 1.00 3.40 H new ATOM 0 HA LYS B 90 -12.798 1.014 15.010 1.00 4.94 H new ATOM 0 HB2 LYS B 90 -14.147 -0.246 13.310 1.00 6.63 H new ATOM 0 HB3 LYS B 90 -13.631 -1.740 14.067 1.00 6.63 H new ATOM 0 HG2 LYS B 90 -14.532 -0.751 16.288 1.00 8.10 H new ATOM 0 HG3 LYS B 90 -15.285 0.494 15.312 1.00 8.10 H new ATOM 0 HD2 LYS B 90 -15.799 -2.499 15.014 1.00 9.90 H new ATOM 0 HD3 LYS B 90 -16.836 -1.388 15.887 1.00 9.90 H new ATOM 0 HE2 LYS B 90 -17.001 -0.064 13.650 1.00 10.84 H new ATOM 0 HE3 LYS B 90 -16.305 -1.486 12.897 1.00 10.84 H new ATOM 0 HZ1 LYS B 90 -18.702 -1.526 12.796 1.00 12.61 H new ATOM 0 HZ2 LYS B 90 -18.140 -2.807 13.758 1.00 12.61 H new ATOM 0 HZ3 LYS B 90 -18.815 -1.430 14.487 1.00 12.61 H new ATOM 3119 N LYS B 91 -11.420 -1.912 15.732 1.00 3.18 N ATOM 3120 CA LYS B 91 -10.769 -2.733 16.743 1.00 3.03 C ATOM 3121 C LYS B 91 -9.983 -3.831 16.026 1.00 2.20 C ATOM 3122 O LYS B 91 -8.795 -4.018 16.272 1.00 2.69 O ATOM 3123 CB LYS B 91 -11.791 -3.275 17.765 1.00 4.20 C ATOM 3124 CG LYS B 91 -13.003 -3.996 17.151 1.00 5.18 C ATOM 3125 CD LYS B 91 -14.042 -4.372 18.219 1.00 6.21 C ATOM 3126 CE LYS B 91 -15.234 -5.048 17.524 1.00 7.44 C ATOM 3127 NZ LYS B 91 -16.234 -5.610 18.459 1.00 7.95 N ATOM 0 H LYS B 91 -11.480 -2.376 14.826 1.00 3.18 H new ATOM 0 HA LYS B 91 -10.070 -2.139 17.332 1.00 3.03 H new ATOM 0 HB2 LYS B 91 -11.280 -3.964 18.437 1.00 4.20 H new ATOM 0 HB3 LYS B 91 -12.151 -2.444 18.372 1.00 4.20 H new ATOM 0 HG2 LYS B 91 -13.467 -3.354 16.402 1.00 5.18 H new ATOM 0 HG3 LYS B 91 -12.668 -4.896 16.636 1.00 5.18 H new ATOM 0 HD2 LYS B 91 -13.602 -5.045 18.955 1.00 6.21 H new ATOM 0 HD3 LYS B 91 -14.372 -3.483 18.756 1.00 6.21 H new ATOM 0 HE2 LYS B 91 -15.725 -4.321 16.877 1.00 7.44 H new ATOM 0 HE3 LYS B 91 -14.862 -5.847 16.882 1.00 7.44 H new ATOM 0 HZ1 LYS B 91 -17.007 -6.049 17.918 1.00 7.95 H new ATOM 0 HZ2 LYS B 91 -15.782 -6.328 19.061 1.00 7.95 H new ATOM 0 HZ3 LYS B 91 -16.617 -4.849 19.056 1.00 7.95 H new ATOM 3141 N ASP B 92 -10.662 -4.518 15.107 1.00 1.95 N ATOM 3142 CA ASP B 92 -10.126 -5.501 14.192 1.00 2.41 C ATOM 3143 C ASP B 92 -11.112 -5.515 13.029 1.00 1.71 C ATOM 3144 O ASP B 92 -12.282 -5.843 13.237 1.00 1.89 O ATOM 3145 CB ASP B 92 -10.054 -6.873 14.875 1.00 4.01 C ATOM 3146 CG ASP B 92 -9.625 -7.979 13.923 1.00 5.97 C ATOM 3147 OD1 ASP B 92 -9.401 -7.700 12.726 1.00 6.77 O ATOM 3148 OD2 ASP B 92 -9.533 -9.139 14.378 1.00 7.28 O ATOM 0 H ASP B 92 -11.666 -4.387 14.982 1.00 1.95 H new ATOM 0 HA ASP B 92 -9.113 -5.268 13.863 1.00 2.41 H new ATOM 0 HB2 ASP B 92 -9.353 -6.824 15.708 1.00 4.01 H new ATOM 0 HB3 ASP B 92 -11.030 -7.118 15.294 1.00 4.01 H new ATOM 3153 N LEU B 93 -10.676 -5.140 11.828 1.00 1.47 N ATOM 3154 CA LEU B 93 -11.535 -5.186 10.652 1.00 1.29 C ATOM 3155 C LEU B 93 -12.099 -6.580 10.393 1.00 1.08 C ATOM 3156 O LEU B 93 -13.135 -6.699 9.744 1.00 1.15 O ATOM 3157 CB LEU B 93 -10.873 -4.594 9.401 1.00 2.24 C ATOM 3158 CG LEU B 93 -9.756 -5.401 8.710 1.00 1.83 C ATOM 3159 CD1 LEU B 93 -8.646 -5.893 9.653 1.00 1.97 C ATOM 3160 CD2 LEU B 93 -10.294 -6.557 7.854 1.00 3.05 C ATOM 0 H LEU B 93 -9.731 -4.801 11.646 1.00 1.47 H new ATOM 0 HA LEU B 93 -12.382 -4.541 10.884 1.00 1.29 H new ATOM 0 HB2 LEU B 93 -11.656 -4.414 8.665 1.00 2.24 H new ATOM 0 HB3 LEU B 93 -10.461 -3.622 9.672 1.00 2.24 H new ATOM 0 HG LEU B 93 -9.290 -4.675 8.044 1.00 1.83 H new ATOM 0 HD11 LEU B 93 -7.904 -6.451 9.082 1.00 1.97 H new ATOM 0 HD12 LEU B 93 -8.169 -5.037 10.131 1.00 1.97 H new ATOM 0 HD13 LEU B 93 -9.078 -6.540 10.416 1.00 1.97 H new ATOM 0 HD21 LEU B 93 -9.460 -7.087 7.394 1.00 3.05 H new ATOM 0 HD22 LEU B 93 -10.858 -7.245 8.484 1.00 3.05 H new ATOM 0 HD23 LEU B 93 -10.946 -6.161 7.076 1.00 3.05 H new ATOM 3172 N LYS B 94 -11.466 -7.639 10.914 1.00 1.16 N ATOM 3173 CA LYS B 94 -11.997 -8.989 10.810 1.00 1.16 C ATOM 3174 C LYS B 94 -13.331 -9.125 11.538 1.00 1.15 C ATOM 3175 O LYS B 94 -14.067 -10.076 11.315 1.00 1.21 O ATOM 3176 CB LYS B 94 -10.963 -10.041 11.235 1.00 1.53 C ATOM 3177 CG LYS B 94 -9.853 -10.076 10.177 1.00 2.78 C ATOM 3178 CD LYS B 94 -8.738 -11.100 10.410 1.00 3.55 C ATOM 3179 CE LYS B 94 -7.719 -10.690 11.484 1.00 4.51 C ATOM 3180 NZ LYS B 94 -8.259 -10.773 12.854 1.00 5.26 N ATOM 0 H LYS B 94 -10.579 -7.577 11.414 1.00 1.16 H new ATOM 0 HA LYS B 94 -12.206 -9.185 9.758 1.00 1.16 H new ATOM 0 HB2 LYS B 94 -10.549 -9.794 12.213 1.00 1.53 H new ATOM 0 HB3 LYS B 94 -11.432 -11.020 11.326 1.00 1.53 H new ATOM 0 HG2 LYS B 94 -10.308 -10.278 9.207 1.00 2.78 H new ATOM 0 HG3 LYS B 94 -9.403 -9.085 10.118 1.00 2.78 H new ATOM 0 HD2 LYS B 94 -9.188 -12.051 10.696 1.00 3.55 H new ATOM 0 HD3 LYS B 94 -8.211 -11.267 9.470 1.00 3.55 H new ATOM 0 HE2 LYS B 94 -6.840 -11.331 11.406 1.00 4.51 H new ATOM 0 HE3 LYS B 94 -7.388 -9.670 11.291 1.00 4.51 H new ATOM 0 HZ1 LYS B 94 -7.576 -11.262 13.467 1.00 5.26 H new ATOM 0 HZ2 LYS B 94 -8.428 -9.814 13.219 1.00 5.26 H new ATOM 0 HZ3 LYS B 94 -9.155 -11.302 12.843 1.00 5.26 H new ATOM 3194 N ILE B 95 -13.676 -8.205 12.434 1.00 1.26 N ATOM 3195 CA ILE B 95 -15.044 -8.120 12.916 1.00 1.49 C ATOM 3196 C ILE B 95 -16.075 -7.902 11.792 1.00 1.51 C ATOM 3197 O ILE B 95 -17.274 -8.043 12.019 1.00 1.77 O ATOM 3198 CB ILE B 95 -15.141 -7.154 14.108 1.00 1.66 C ATOM 3199 CG1 ILE B 95 -16.086 -7.714 15.176 1.00 2.36 C ATOM 3200 CG2 ILE B 95 -15.580 -5.748 13.704 1.00 2.68 C ATOM 3201 CD1 ILE B 95 -15.334 -8.664 16.104 1.00 2.51 C ATOM 0 H ILE B 95 -13.036 -7.519 12.834 1.00 1.26 H new ATOM 0 HA ILE B 95 -15.331 -9.096 13.308 1.00 1.49 H new ATOM 0 HB ILE B 95 -14.135 -7.066 14.518 1.00 1.66 H new ATOM 0 HG12 ILE B 95 -16.518 -6.897 15.754 1.00 2.36 H new ATOM 0 HG13 ILE B 95 -16.913 -8.240 14.699 1.00 2.36 H new ATOM 0 HG21 ILE B 95 -15.629 -5.114 14.589 1.00 2.68 H new ATOM 0 HG22 ILE B 95 -14.861 -5.331 12.999 1.00 2.68 H new ATOM 0 HG23 ILE B 95 -16.563 -5.794 13.236 1.00 2.68 H new ATOM 0 HD11 ILE B 95 -16.018 -9.054 16.858 1.00 2.51 H new ATOM 0 HD12 ILE B 95 -14.924 -9.491 15.524 1.00 2.51 H new ATOM 0 HD13 ILE B 95 -14.522 -8.127 16.594 1.00 2.51 H new ATOM 3213 N ARG B 96 -15.654 -7.478 10.597 1.00 1.38 N ATOM 3214 CA ARG B 96 -16.451 -7.361 9.374 1.00 1.56 C ATOM 3215 C ARG B 96 -17.195 -6.032 9.392 1.00 2.01 C ATOM 3216 O ARG B 96 -17.096 -5.241 8.463 1.00 3.15 O ATOM 3217 CB ARG B 96 -17.456 -8.504 9.148 1.00 1.62 C ATOM 3218 CG ARG B 96 -16.812 -9.895 9.190 1.00 2.02 C ATOM 3219 CD ARG B 96 -17.684 -10.906 9.941 1.00 2.96 C ATOM 3220 NE ARG B 96 -17.878 -10.492 11.343 1.00 4.06 N ATOM 3221 CZ ARG B 96 -17.603 -11.174 12.461 1.00 5.49 C ATOM 3222 NH1 ARG B 96 -16.913 -12.318 12.412 1.00 6.15 N ATOM 3223 NH2 ARG B 96 -18.021 -10.682 13.635 1.00 6.90 N ATOM 0 H ARG B 96 -14.687 -7.189 10.449 1.00 1.38 H new ATOM 0 HA ARG B 96 -15.745 -7.420 8.546 1.00 1.56 H new ATOM 0 HB2 ARG B 96 -18.235 -8.449 9.908 1.00 1.62 H new ATOM 0 HB3 ARG B 96 -17.942 -8.365 8.182 1.00 1.62 H new ATOM 0 HG2 ARG B 96 -16.642 -10.247 8.173 1.00 2.02 H new ATOM 0 HG3 ARG B 96 -15.836 -9.829 9.671 1.00 2.02 H new ATOM 0 HD2 ARG B 96 -18.651 -10.996 9.447 1.00 2.96 H new ATOM 0 HD3 ARG B 96 -17.217 -11.890 9.909 1.00 2.96 H new ATOM 0 HE ARG B 96 -18.275 -9.562 11.479 1.00 4.06 H new ATOM 0 HH11 ARG B 96 -16.590 -12.680 11.515 1.00 6.15 H new ATOM 0 HH12 ARG B 96 -16.710 -12.828 13.272 1.00 6.15 H new ATOM 0 HH21 ARG B 96 -18.538 -9.803 13.665 1.00 6.90 H new ATOM 0 HH22 ARG B 96 -17.822 -11.186 14.499 1.00 6.90 H new