USER MOD reduce.3.24.130724 H: found=0, std=0, add=1443, rem=0, adj=45 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 55 SER OG : rot -136:sc= 2.31 USER MOD Set 1.2: B 85 LYS NZ :NH3+ -166:sc= 1.11 (180deg=-0.431) USER MOD Set 2.1: B 36 ASN : amide:sc= 1.84 K(o=5.3,f=-6.3!) USER MOD Set 2.2: B 39 LYS NZ :NH3+ 173:sc= 2.13 (180deg=1.1) USER MOD Set 2.3: B 67 GLN : amide:sc= 1.36 K(o=5.3,f=-6.3) USER MOD Set 3.1: A 55 SER OG : rot -49:sc= 2.31 USER MOD Set 3.2: A 85 LYS NZ :NH3+ -173:sc= 1.28 (180deg=0) USER MOD Set 4.1: A 66 ASN : amide:sc= 0.596 X(o=1.2,f=1.3) USER MOD Set 4.2: A 69 SER OG : rot -3:sc= 0.568 USER MOD Set 5.1: A 36 ASN : amide:sc= 0.0435 K(o=0.02,f=1.2) USER MOD Set 5.2: A 67 GLN : amide:sc= -0.024 K(o=0.02,f=1.2) USER MOD Set 6.1: A 44 GLN : amide:sc= 0.851 K(o=1.3,f=-0.37) USER MOD Set 6.2: A 45 GLN : amide:sc= 0.443 K(o=1.3,f=-0.97) USER MOD Set 7.1: A 39 LYS NZ :NH3+ -170:sc= 1.24 (180deg=0) USER MOD Set 7.2: A 43 THR OG1 : rot 68:sc= 2.19 USER MOD Set 8.1: A 18 THR OG1 : rot -67:sc= 1.01 USER MOD Set 8.2: A 22 THR OG1 : rot -31:sc= 1.43 USER MOD Set 9.1: A 7 THR OG1 : rot -140:sc= 0 USER MOD Set 9.2: B 45 GLN : amide:sc= -0.635 X(o=-0.64,f=-0.48) USER MOD Single : A 12 SER OG : rot 68:sc= 0.76 USER MOD Single : A 15 THR OG1 : rot -11:sc= 1.22 USER MOD Single : A 19 THR OG1 : rot -48:sc= 0.78 USER MOD Single : A 32 SER OG : rot 120:sc= 0.484 USER MOD Single : A 34 SER OG : rot 92:sc= 1.1 USER MOD Single : A 48 HIS : no HE2:sc= -0.875 K(o=-0.88,f=-3.5!) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= -0.141 (180deg=-0.327) USER MOD Single : A 59 LYS NZ :NH3+ 156:sc= -1.72! (180deg=-3.23!) USER MOD Single : A 60 MET CE :methyl 173:sc= 0 (180deg=-0.0678) USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 0.343 (180deg=-0.455!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= 3.4 (180deg=1.97) USER MOD Single : A 74 ASN : amide:sc= -0.0744 K(o=-0.074,f=-3.2!) USER MOD Single : A 76 TYR OH : rot 120:sc= -0.0195 USER MOD Single : A 89 LYS NZ :NH3+ -145:sc= 1.93 (180deg=-0.136) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 148:sc= 1.05 (180deg=0.146) USER MOD Single : A 94 LYS NZ :NH3+ -151:sc= 2.5 (180deg=2.18) USER MOD Single : B 7 THR OG1 : rot -170:sc= 0 USER MOD Single : B 12 SER OG : rot 104:sc= 0.864 USER MOD Single : B 15 THR OG1 : rot 94:sc= 1.15 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 78:sc= 0.125 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 114:sc= -1.16! USER MOD Single : B 34 SER OG : rot 55:sc= 1.28 USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= -0.0185 X(o=-0.019,f=0) USER MOD Single : B 48 HIS : no HD1:sc= -0.135 X(o=-0.13,f=-0.0001) USER MOD Single : B 51 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.16) USER MOD Single : B 59 LYS NZ :NH3+ -139:sc= 0.577 (180deg=-4.57!) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ -111:sc= 1.92 (180deg=0.83) USER MOD Single : B 62 SER OG : rot 66:sc= 1.21 USER MOD Single : B 66 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.3) USER MOD Single : B 69 SER OG : rot 180:sc= -0.0271 USER MOD Single : B 72 LYS NZ :NH3+ -161:sc= 0.144 (180deg=-1.29) USER MOD Single : B 74 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.65) USER MOD Single : B 76 TYR OH : rot -166:sc= 1.13 USER MOD Single : B 89 LYS NZ :NH3+ 171:sc= 1.08 (180deg=0.698) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 LYS NZ :NH3+ -165:sc= 0.91 (180deg=-1.11!) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -14.037 -12.543 8.098 1.00 1.31 N ATOM 41 CA GLU A 4 -14.863 -11.640 7.307 1.00 1.16 C ATOM 42 C GLU A 4 -14.649 -11.970 5.834 1.00 1.11 C ATOM 43 O GLU A 4 -13.739 -12.741 5.530 1.00 1.08 O ATOM 44 CB GLU A 4 -14.536 -10.186 7.637 1.00 1.36 C ATOM 45 CG GLU A 4 -13.209 -9.609 7.140 1.00 2.05 C ATOM 46 CD GLU A 4 -13.081 -8.144 7.557 1.00 3.66 C ATOM 47 OE1 GLU A 4 -14.123 -7.455 7.512 1.00 4.83 O ATOM 48 OE2 GLU A 4 -11.968 -7.766 7.980 1.00 4.25 O ATOM 0 HA GLU A 4 -15.918 -11.773 7.544 1.00 1.16 H new ATOM 0 HB2 GLU A 4 -15.338 -9.566 7.237 1.00 1.36 H new ATOM 0 HB3 GLU A 4 -14.560 -10.078 8.721 1.00 1.36 H new ATOM 0 HG2 GLU A 4 -12.378 -10.185 7.548 1.00 2.05 H new ATOM 0 HG3 GLU A 4 -13.152 -9.692 6.055 1.00 2.05 H new ATOM 55 N PRO A 5 -15.438 -11.411 4.906 1.00 1.26 N ATOM 56 CA PRO A 5 -15.237 -11.637 3.488 1.00 1.38 C ATOM 57 C PRO A 5 -14.078 -10.757 2.987 1.00 1.32 C ATOM 58 O PRO A 5 -14.251 -9.940 2.084 1.00 1.54 O ATOM 59 CB PRO A 5 -16.599 -11.353 2.827 1.00 1.71 C ATOM 60 CG PRO A 5 -17.509 -10.827 3.947 1.00 1.64 C ATOM 61 CD PRO A 5 -16.565 -10.520 5.108 1.00 1.46 C ATOM 0 HA PRO A 5 -14.936 -12.655 3.239 1.00 1.38 H new ATOM 0 HB2 PRO A 5 -16.500 -10.619 2.027 1.00 1.71 H new ATOM 0 HB3 PRO A 5 -17.012 -12.257 2.380 1.00 1.71 H new ATOM 0 HG2 PRO A 5 -18.050 -9.935 3.631 1.00 1.64 H new ATOM 0 HG3 PRO A 5 -18.256 -11.569 4.230 1.00 1.64 H new ATOM 0 HD2 PRO A 5 -16.252 -9.476 5.099 1.00 1.46 H new ATOM 0 HD3 PRO A 5 -17.046 -10.701 6.069 1.00 1.46 H new ATOM 69 N LEU A 6 -12.876 -10.953 3.546 1.00 1.14 N ATOM 70 CA LEU A 6 -11.695 -10.213 3.109 1.00 1.14 C ATOM 71 C LEU A 6 -11.146 -10.834 1.820 1.00 1.16 C ATOM 72 O LEU A 6 -11.451 -11.982 1.501 1.00 1.35 O ATOM 73 CB LEU A 6 -10.640 -10.110 4.232 1.00 1.14 C ATOM 74 CG LEU A 6 -9.800 -11.338 4.640 1.00 1.16 C ATOM 75 CD1 LEU A 6 -10.630 -12.532 5.111 1.00 2.29 C ATOM 76 CD2 LEU A 6 -8.775 -11.778 3.586 1.00 2.57 C ATOM 0 H LEU A 6 -12.701 -11.617 4.300 1.00 1.14 H new ATOM 0 HA LEU A 6 -11.978 -9.185 2.884 1.00 1.14 H new ATOM 0 HB2 LEU A 6 -9.941 -9.325 3.944 1.00 1.14 H new ATOM 0 HB3 LEU A 6 -11.157 -9.764 5.127 1.00 1.14 H new ATOM 0 HG LEU A 6 -9.239 -10.974 5.501 1.00 1.16 H new ATOM 0 HD11 LEU A 6 -9.966 -13.354 5.379 1.00 2.29 H new ATOM 0 HD12 LEU A 6 -11.221 -12.244 5.981 1.00 2.29 H new ATOM 0 HD13 LEU A 6 -11.296 -12.851 4.309 1.00 2.29 H new ATOM 0 HD21 LEU A 6 -8.227 -12.647 3.952 1.00 2.57 H new ATOM 0 HD22 LEU A 6 -9.292 -12.037 2.662 1.00 2.57 H new ATOM 0 HD23 LEU A 6 -8.077 -10.963 3.395 1.00 2.57 H new ATOM 88 N THR A 7 -10.399 -10.044 1.042 1.00 1.18 N ATOM 89 CA THR A 7 -9.912 -10.399 -0.289 1.00 1.24 C ATOM 90 C THR A 7 -8.538 -9.736 -0.466 1.00 1.12 C ATOM 91 O THR A 7 -8.288 -8.726 0.193 1.00 1.03 O ATOM 92 CB THR A 7 -10.907 -9.862 -1.337 1.00 1.33 C ATOM 93 OG1 THR A 7 -12.262 -10.106 -1.005 1.00 1.56 O ATOM 94 CG2 THR A 7 -10.671 -10.466 -2.724 1.00 1.81 C ATOM 0 H THR A 7 -10.109 -9.111 1.333 1.00 1.18 H new ATOM 0 HA THR A 7 -9.823 -11.478 -0.411 1.00 1.24 H new ATOM 0 HB THR A 7 -10.722 -8.788 -1.347 1.00 1.33 H new ATOM 0 HG1 THR A 7 -12.756 -10.358 -1.813 1.00 1.56 H new ATOM 0 HG21 THR A 7 -11.396 -10.057 -3.427 1.00 1.81 H new ATOM 0 HG22 THR A 7 -9.663 -10.223 -3.060 1.00 1.81 H new ATOM 0 HG23 THR A 7 -10.785 -11.549 -2.674 1.00 1.81 H new ATOM 102 N GLU A 8 -7.678 -10.254 -1.356 1.00 1.30 N ATOM 103 CA GLU A 8 -6.279 -9.852 -1.553 1.00 1.30 C ATOM 104 C GLU A 8 -6.056 -8.339 -1.457 1.00 1.10 C ATOM 105 O GLU A 8 -5.121 -7.873 -0.802 1.00 1.12 O ATOM 106 CB GLU A 8 -5.747 -10.336 -2.917 1.00 1.52 C ATOM 107 CG GLU A 8 -5.973 -11.827 -3.199 1.00 1.71 C ATOM 108 CD GLU A 8 -7.336 -12.080 -3.822 1.00 1.78 C ATOM 109 OE1 GLU A 8 -7.429 -11.969 -5.062 1.00 2.18 O ATOM 110 OE2 GLU A 8 -8.273 -12.305 -3.026 1.00 2.71 O ATOM 0 H GLU A 8 -7.955 -11.003 -1.990 1.00 1.30 H new ATOM 0 HA GLU A 8 -5.732 -10.326 -0.738 1.00 1.30 H new ATOM 0 HB2 GLU A 8 -6.225 -9.754 -3.705 1.00 1.52 H new ATOM 0 HB3 GLU A 8 -4.678 -10.128 -2.970 1.00 1.52 H new ATOM 0 HG2 GLU A 8 -5.194 -12.193 -3.867 1.00 1.71 H new ATOM 0 HG3 GLU A 8 -5.887 -12.390 -2.270 1.00 1.71 H new ATOM 117 N LEU A 9 -6.914 -7.572 -2.140 1.00 1.00 N ATOM 118 CA LEU A 9 -6.847 -6.118 -2.152 1.00 0.88 C ATOM 119 C LEU A 9 -6.787 -5.619 -0.714 1.00 0.95 C ATOM 120 O LEU A 9 -5.847 -4.938 -0.313 1.00 1.06 O ATOM 121 CB LEU A 9 -8.077 -5.510 -2.852 1.00 0.83 C ATOM 122 CG LEU A 9 -8.077 -5.662 -4.379 1.00 0.92 C ATOM 123 CD1 LEU A 9 -8.345 -7.102 -4.847 1.00 2.59 C ATOM 124 CD2 LEU A 9 -9.019 -4.641 -5.028 1.00 1.86 C ATOM 0 H LEU A 9 -7.677 -7.952 -2.701 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.957 -5.812 -2.702 1.00 0.88 H new ATOM 0 HB2 LEU A 9 -8.976 -5.979 -2.452 1.00 0.83 H new ATOM 0 HB3 LEU A 9 -8.134 -4.450 -2.605 1.00 0.83 H new ATOM 0 HG LEU A 9 -7.066 -5.442 -4.722 1.00 0.92 H new ATOM 0 HD11 LEU A 9 -8.331 -7.139 -5.936 1.00 2.59 H new ATOM 0 HD12 LEU A 9 -7.573 -7.763 -4.452 1.00 2.59 H new ATOM 0 HD13 LEU A 9 -9.321 -7.427 -4.485 1.00 2.59 H new ATOM 0 HD21 LEU A 9 -9.003 -4.768 -6.111 1.00 1.86 H new ATOM 0 HD22 LEU A 9 -10.033 -4.796 -4.660 1.00 1.86 H new ATOM 0 HD23 LEU A 9 -8.692 -3.632 -4.776 1.00 1.86 H new ATOM 136 N GLU A 10 -7.808 -5.982 0.058 1.00 0.94 N ATOM 137 CA GLU A 10 -7.973 -5.542 1.429 1.00 1.00 C ATOM 138 C GLU A 10 -6.924 -6.187 2.337 1.00 0.90 C ATOM 139 O GLU A 10 -6.350 -5.536 3.211 1.00 0.87 O ATOM 140 CB GLU A 10 -9.435 -5.763 1.843 1.00 1.18 C ATOM 141 CG GLU A 10 -9.679 -6.747 2.991 1.00 1.56 C ATOM 142 CD GLU A 10 -9.205 -6.180 4.327 1.00 2.30 C ATOM 143 OE1 GLU A 10 -9.182 -4.934 4.439 1.00 2.88 O ATOM 144 OE2 GLU A 10 -8.837 -6.964 5.219 1.00 3.43 O ATOM 0 H GLU A 10 -8.553 -6.601 -0.263 1.00 0.94 H new ATOM 0 HA GLU A 10 -7.785 -4.473 1.531 1.00 1.00 H new ATOM 0 HB2 GLU A 10 -9.859 -4.799 2.124 1.00 1.18 H new ATOM 0 HB3 GLU A 10 -9.987 -6.113 0.971 1.00 1.18 H new ATOM 0 HG2 GLU A 10 -10.742 -6.981 3.051 1.00 1.56 H new ATOM 0 HG3 GLU A 10 -9.158 -7.682 2.786 1.00 1.56 H new ATOM 151 N GLU A 11 -6.616 -7.458 2.084 1.00 0.94 N ATOM 152 CA GLU A 11 -5.604 -8.191 2.823 1.00 0.95 C ATOM 153 C GLU A 11 -4.267 -7.435 2.802 1.00 0.92 C ATOM 154 O GLU A 11 -3.505 -7.461 3.766 1.00 0.91 O ATOM 155 CB GLU A 11 -5.498 -9.609 2.245 1.00 1.03 C ATOM 156 CG GLU A 11 -4.984 -10.624 3.276 1.00 1.17 C ATOM 157 CD GLU A 11 -5.134 -12.061 2.784 1.00 1.93 C ATOM 158 OE1 GLU A 11 -5.163 -12.241 1.549 1.00 2.56 O ATOM 159 OE2 GLU A 11 -5.238 -12.951 3.656 1.00 2.96 O ATOM 0 H GLU A 11 -7.069 -8.007 1.353 1.00 0.94 H new ATOM 0 HA GLU A 11 -5.887 -8.276 3.872 1.00 0.95 H new ATOM 0 HB2 GLU A 11 -6.477 -9.926 1.884 1.00 1.03 H new ATOM 0 HB3 GLU A 11 -4.829 -9.599 1.384 1.00 1.03 H new ATOM 0 HG2 GLU A 11 -3.935 -10.422 3.492 1.00 1.17 H new ATOM 0 HG3 GLU A 11 -5.532 -10.501 4.210 1.00 1.17 H new ATOM 166 N SER A 12 -3.993 -6.673 1.737 1.00 0.98 N ATOM 167 CA SER A 12 -2.745 -5.927 1.670 1.00 1.03 C ATOM 168 C SER A 12 -2.730 -4.835 2.747 1.00 0.95 C ATOM 169 O SER A 12 -1.683 -4.476 3.288 1.00 1.05 O ATOM 170 CB SER A 12 -2.596 -5.336 0.268 1.00 1.15 C ATOM 171 OG SER A 12 -2.740 -6.351 -0.712 1.00 1.36 O ATOM 0 H SER A 12 -4.607 -6.562 0.930 1.00 0.98 H new ATOM 0 HA SER A 12 -1.899 -6.588 1.860 1.00 1.03 H new ATOM 0 HB2 SER A 12 -3.346 -4.561 0.111 1.00 1.15 H new ATOM 0 HB3 SER A 12 -1.620 -4.861 0.168 1.00 1.15 H new ATOM 0 HG SER A 12 -3.665 -6.674 -0.715 1.00 1.36 H new ATOM 177 N ILE A 13 -3.916 -4.303 3.039 1.00 0.85 N ATOM 178 CA ILE A 13 -4.173 -3.147 3.871 1.00 0.77 C ATOM 179 C ILE A 13 -4.121 -3.575 5.327 1.00 0.76 C ATOM 180 O ILE A 13 -3.415 -2.946 6.119 1.00 0.83 O ATOM 181 CB ILE A 13 -5.546 -2.550 3.496 1.00 0.66 C ATOM 182 CG1 ILE A 13 -5.595 -2.410 1.969 1.00 0.70 C ATOM 183 CG2 ILE A 13 -5.868 -1.207 4.168 1.00 0.67 C ATOM 184 CD1 ILE A 13 -6.888 -1.795 1.474 1.00 0.70 C ATOM 0 H ILE A 13 -4.779 -4.703 2.670 1.00 0.85 H new ATOM 0 HA ILE A 13 -3.419 -2.375 3.714 1.00 0.77 H new ATOM 0 HB ILE A 13 -6.310 -3.233 3.867 1.00 0.66 H new ATOM 0 HG12 ILE A 13 -4.757 -1.796 1.639 1.00 0.70 H new ATOM 0 HG13 ILE A 13 -5.469 -3.393 1.515 1.00 0.70 H new ATOM 0 HG21 ILE A 13 -6.851 -0.865 3.845 1.00 0.67 H new ATOM 0 HG22 ILE A 13 -5.865 -1.332 5.251 1.00 0.67 H new ATOM 0 HG23 ILE A 13 -5.117 -0.469 3.886 1.00 0.67 H new ATOM 0 HD11 ILE A 13 -6.863 -1.722 0.387 1.00 0.70 H new ATOM 0 HD12 ILE A 13 -7.728 -2.421 1.777 1.00 0.70 H new ATOM 0 HD13 ILE A 13 -7.005 -0.799 1.902 1.00 0.70 H new ATOM 196 N GLU A 14 -4.853 -4.646 5.670 1.00 0.71 N ATOM 197 CA GLU A 14 -4.808 -5.209 7.014 1.00 0.73 C ATOM 198 C GLU A 14 -3.345 -5.481 7.402 1.00 0.85 C ATOM 199 O GLU A 14 -2.899 -5.124 8.493 1.00 0.88 O ATOM 200 CB GLU A 14 -5.776 -6.398 7.170 1.00 0.78 C ATOM 201 CG GLU A 14 -5.243 -7.771 6.750 1.00 1.49 C ATOM 202 CD GLU A 14 -4.277 -8.372 7.765 1.00 2.78 C ATOM 203 OE1 GLU A 14 -4.676 -8.448 8.948 1.00 2.91 O ATOM 204 OE2 GLU A 14 -3.144 -8.696 7.349 1.00 4.25 O ATOM 0 H GLU A 14 -5.480 -5.134 5.031 1.00 0.71 H new ATOM 0 HA GLU A 14 -5.182 -4.489 7.742 1.00 0.73 H new ATOM 0 HB2 GLU A 14 -6.081 -6.455 8.215 1.00 0.78 H new ATOM 0 HB3 GLU A 14 -6.673 -6.187 6.587 1.00 0.78 H new ATOM 0 HG2 GLU A 14 -6.082 -8.452 6.608 1.00 1.49 H new ATOM 0 HG3 GLU A 14 -4.740 -7.680 5.787 1.00 1.49 H new ATOM 211 N THR A 15 -2.579 -6.018 6.449 1.00 0.94 N ATOM 212 CA THR A 15 -1.171 -6.331 6.625 1.00 1.04 C ATOM 213 C THR A 15 -0.350 -5.066 6.902 1.00 1.04 C ATOM 214 O THR A 15 0.490 -5.070 7.801 1.00 1.08 O ATOM 215 CB THR A 15 -0.663 -7.160 5.439 1.00 1.07 C ATOM 216 OG1 THR A 15 -1.253 -8.445 5.486 1.00 1.20 O ATOM 217 CG2 THR A 15 0.856 -7.360 5.470 1.00 1.29 C ATOM 0 H THR A 15 -2.932 -6.249 5.520 1.00 0.94 H new ATOM 0 HA THR A 15 -1.044 -6.952 7.512 1.00 1.04 H new ATOM 0 HB THR A 15 -0.929 -6.614 4.534 1.00 1.07 H new ATOM 0 HG1 THR A 15 -1.697 -8.570 6.351 1.00 1.20 H new ATOM 0 HG21 THR A 15 1.163 -7.953 4.608 1.00 1.29 H new ATOM 0 HG22 THR A 15 1.351 -6.390 5.437 1.00 1.29 H new ATOM 0 HG23 THR A 15 1.136 -7.880 6.386 1.00 1.29 H new ATOM 225 N VAL A 16 -0.570 -3.963 6.180 1.00 1.04 N ATOM 226 CA VAL A 16 0.129 -2.725 6.497 1.00 1.09 C ATOM 227 C VAL A 16 -0.221 -2.264 7.913 1.00 1.08 C ATOM 228 O VAL A 16 0.674 -1.989 8.712 1.00 1.19 O ATOM 229 CB VAL A 16 -0.182 -1.644 5.455 1.00 1.08 C ATOM 230 CG1 VAL A 16 0.284 -0.280 5.966 1.00 1.19 C ATOM 231 CG2 VAL A 16 0.536 -1.941 4.137 1.00 1.17 C ATOM 0 H VAL A 16 -1.213 -3.906 5.390 1.00 1.04 H new ATOM 0 HA VAL A 16 1.203 -2.909 6.463 1.00 1.09 H new ATOM 0 HB VAL A 16 -1.259 -1.636 5.287 1.00 1.08 H new ATOM 0 HG11 VAL A 16 0.060 0.484 5.221 1.00 1.19 H new ATOM 0 HG12 VAL A 16 -0.234 -0.043 6.895 1.00 1.19 H new ATOM 0 HG13 VAL A 16 1.359 -0.307 6.146 1.00 1.19 H new ATOM 0 HG21 VAL A 16 0.302 -1.162 3.412 1.00 1.17 H new ATOM 0 HG22 VAL A 16 1.612 -1.967 4.307 1.00 1.17 H new ATOM 0 HG23 VAL A 16 0.206 -2.906 3.752 1.00 1.17 H new ATOM 241 N VAL A 17 -1.514 -2.131 8.228 1.00 0.97 N ATOM 242 CA VAL A 17 -1.898 -1.571 9.520 1.00 0.99 C ATOM 243 C VAL A 17 -1.406 -2.450 10.677 1.00 1.04 C ATOM 244 O VAL A 17 -0.857 -1.923 11.646 1.00 1.09 O ATOM 245 CB VAL A 17 -3.395 -1.231 9.604 1.00 0.91 C ATOM 246 CG1 VAL A 17 -3.770 -0.176 8.554 1.00 0.94 C ATOM 247 CG2 VAL A 17 -4.290 -2.457 9.436 1.00 0.83 C ATOM 0 H VAL A 17 -2.291 -2.396 7.622 1.00 0.97 H new ATOM 0 HA VAL A 17 -1.390 -0.612 9.620 1.00 0.99 H new ATOM 0 HB VAL A 17 -3.564 -0.834 10.605 1.00 0.91 H new ATOM 0 HG11 VAL A 17 -4.833 0.051 8.630 1.00 0.94 H new ATOM 0 HG12 VAL A 17 -3.192 0.732 8.728 1.00 0.94 H new ATOM 0 HG13 VAL A 17 -3.551 -0.560 7.558 1.00 0.94 H new ATOM 0 HG21 VAL A 17 -5.335 -2.156 9.504 1.00 0.83 H new ATOM 0 HG22 VAL A 17 -4.106 -2.911 8.462 1.00 0.83 H new ATOM 0 HG23 VAL A 17 -4.068 -3.180 10.221 1.00 0.83 H new ATOM 257 N THR A 18 -1.556 -3.778 10.580 1.00 1.07 N ATOM 258 CA THR A 18 -0.992 -4.666 11.589 1.00 1.22 C ATOM 259 C THR A 18 0.531 -4.554 11.567 1.00 1.18 C ATOM 260 O THR A 18 1.140 -4.597 12.625 1.00 1.18 O ATOM 261 CB THR A 18 -1.490 -6.116 11.458 1.00 1.27 C ATOM 262 OG1 THR A 18 -1.417 -6.761 12.718 1.00 1.70 O ATOM 263 CG2 THR A 18 -0.688 -6.923 10.436 1.00 1.27 C ATOM 0 H THR A 18 -2.055 -4.249 9.825 1.00 1.07 H new ATOM 0 HA THR A 18 -1.347 -4.345 12.568 1.00 1.22 H new ATOM 0 HB THR A 18 -2.521 -6.070 11.107 1.00 1.27 H new ATOM 0 HG1 THR A 18 -0.478 -6.862 12.980 1.00 1.70 H new ATOM 0 HG21 THR A 18 -1.082 -7.938 10.384 1.00 1.27 H new ATOM 0 HG22 THR A 18 -0.769 -6.452 9.456 1.00 1.27 H new ATOM 0 HG23 THR A 18 0.359 -6.955 10.738 1.00 1.27 H new ATOM 271 N THR A 19 1.131 -4.351 10.389 1.00 1.24 N ATOM 272 CA THR A 19 2.554 -4.146 10.170 1.00 1.38 C ATOM 273 C THR A 19 3.193 -3.310 11.287 1.00 1.22 C ATOM 274 O THR A 19 4.118 -3.759 11.964 1.00 1.18 O ATOM 275 CB THR A 19 3.272 -5.466 9.873 1.00 1.54 C ATOM 276 OG1 THR A 19 3.473 -6.199 11.058 1.00 3.33 O ATOM 277 CG2 THR A 19 4.608 -5.196 9.174 1.00 1.18 C ATOM 0 H THR A 19 0.600 -4.325 9.518 1.00 1.24 H new ATOM 0 HA THR A 19 2.677 -3.544 9.270 1.00 1.38 H new ATOM 0 HB THR A 19 2.645 -6.060 9.208 1.00 1.54 H new ATOM 0 HG1 THR A 19 3.857 -5.613 11.744 1.00 3.33 H new ATOM 0 HG21 THR A 19 5.109 -6.142 8.968 1.00 1.18 H new ATOM 0 HG22 THR A 19 4.428 -4.669 8.237 1.00 1.18 H new ATOM 0 HG23 THR A 19 5.239 -4.584 9.819 1.00 1.18 H new ATOM 285 N PHE A 20 2.653 -2.116 11.529 1.00 1.31 N ATOM 286 CA PHE A 20 3.159 -1.221 12.566 1.00 1.30 C ATOM 287 C PHE A 20 3.126 -1.837 13.974 1.00 1.30 C ATOM 288 O PHE A 20 3.955 -1.509 14.817 1.00 1.38 O ATOM 289 CB PHE A 20 2.355 0.082 12.561 1.00 1.44 C ATOM 290 CG PHE A 20 2.292 0.765 11.212 1.00 1.24 C ATOM 291 CD1 PHE A 20 3.472 1.243 10.615 1.00 1.81 C ATOM 292 CD2 PHE A 20 1.061 0.907 10.545 1.00 1.78 C ATOM 293 CE1 PHE A 20 3.413 1.904 9.379 1.00 1.59 C ATOM 294 CE2 PHE A 20 1.006 1.557 9.302 1.00 1.86 C ATOM 295 CZ PHE A 20 2.178 2.089 8.739 1.00 1.03 C ATOM 0 H PHE A 20 1.855 -1.744 11.013 1.00 1.31 H new ATOM 0 HA PHE A 20 4.206 -1.030 12.329 1.00 1.30 H new ATOM 0 HB2 PHE A 20 1.340 -0.129 12.897 1.00 1.44 H new ATOM 0 HB3 PHE A 20 2.794 0.770 13.284 1.00 1.44 H new ATOM 0 HD1 PHE A 20 4.423 1.101 11.107 1.00 1.81 H new ATOM 0 HD2 PHE A 20 0.158 0.516 10.990 1.00 1.78 H new ATOM 0 HE1 PHE A 20 4.319 2.271 8.920 1.00 1.59 H new ATOM 0 HE2 PHE A 20 0.065 1.648 8.780 1.00 1.86 H new ATOM 0 HZ PHE A 20 2.128 2.641 7.812 1.00 1.03 H new ATOM 305 N PHE A 21 2.117 -2.664 14.254 1.00 1.28 N ATOM 306 CA PHE A 21 1.902 -3.323 15.536 1.00 1.36 C ATOM 307 C PHE A 21 2.786 -4.569 15.668 1.00 1.36 C ATOM 308 O PHE A 21 3.531 -4.708 16.637 1.00 1.53 O ATOM 309 CB PHE A 21 0.400 -3.642 15.683 1.00 1.49 C ATOM 310 CG PHE A 21 0.033 -4.755 16.649 1.00 1.34 C ATOM 311 CD1 PHE A 21 0.565 -4.775 17.952 1.00 2.04 C ATOM 312 CD2 PHE A 21 -0.794 -5.811 16.218 1.00 2.66 C ATOM 313 CE1 PHE A 21 0.315 -5.870 18.799 1.00 2.54 C ATOM 314 CE2 PHE A 21 -1.033 -6.910 17.060 1.00 3.53 C ATOM 315 CZ PHE A 21 -0.477 -6.942 18.350 1.00 3.09 C ATOM 0 H PHE A 21 1.402 -2.900 13.566 1.00 1.28 H new ATOM 0 HA PHE A 21 2.194 -2.661 16.351 1.00 1.36 H new ATOM 0 HB2 PHE A 21 -0.112 -2.733 16.000 1.00 1.49 H new ATOM 0 HB3 PHE A 21 0.009 -3.902 14.699 1.00 1.49 H new ATOM 0 HD1 PHE A 21 1.166 -3.949 18.302 1.00 2.04 H new ATOM 0 HD2 PHE A 21 -1.246 -5.776 15.238 1.00 2.66 H new ATOM 0 HE1 PHE A 21 0.732 -5.887 19.795 1.00 2.54 H new ATOM 0 HE2 PHE A 21 -1.645 -7.731 16.715 1.00 3.53 H new ATOM 0 HZ PHE A 21 -0.658 -7.789 18.996 1.00 3.09 H new ATOM 325 N THR A 22 2.676 -5.501 14.722 1.00 1.39 N ATOM 326 CA THR A 22 3.166 -6.864 14.838 1.00 1.79 C ATOM 327 C THR A 22 4.655 -6.926 14.488 1.00 1.99 C ATOM 328 O THR A 22 5.070 -7.650 13.587 1.00 2.29 O ATOM 329 CB THR A 22 2.293 -7.758 13.937 1.00 2.15 C ATOM 330 OG1 THR A 22 0.939 -7.359 14.050 1.00 3.45 O ATOM 331 CG2 THR A 22 2.395 -9.237 14.322 1.00 2.55 C ATOM 0 H THR A 22 2.227 -5.316 13.825 1.00 1.39 H new ATOM 0 HA THR A 22 3.087 -7.228 15.862 1.00 1.79 H new ATOM 0 HB THR A 22 2.653 -7.642 12.915 1.00 2.15 H new ATOM 0 HG1 THR A 22 0.776 -7.006 14.950 1.00 3.45 H new ATOM 0 HG21 THR A 22 1.763 -9.830 13.660 1.00 2.55 H new ATOM 0 HG22 THR A 22 3.430 -9.567 14.228 1.00 2.55 H new ATOM 0 HG23 THR A 22 2.065 -9.368 15.352 1.00 2.55 H new ATOM 478 N ASP A 31 2.224 5.727 15.012 1.00 1.68 N ATOM 479 CA ASP A 31 1.554 5.590 13.721 1.00 1.51 C ATOM 480 C ASP A 31 2.441 4.872 12.700 1.00 1.41 C ATOM 481 O ASP A 31 1.985 3.959 12.019 1.00 1.92 O ATOM 482 CB ASP A 31 1.061 6.928 13.156 1.00 1.71 C ATOM 483 CG ASP A 31 0.220 7.724 14.135 1.00 2.59 C ATOM 484 OD1 ASP A 31 -0.831 7.200 14.556 1.00 2.99 O ATOM 485 OD2 ASP A 31 0.645 8.868 14.412 1.00 3.97 O ATOM 0 HA ASP A 31 0.672 4.978 13.908 1.00 1.51 H new ATOM 0 HB2 ASP A 31 1.922 7.527 12.858 1.00 1.71 H new ATOM 0 HB3 ASP A 31 0.476 6.740 12.256 1.00 1.71 H new ATOM 490 N SER A 32 3.695 5.307 12.584 1.00 1.14 N ATOM 491 CA SER A 32 4.748 4.716 11.786 1.00 1.02 C ATOM 492 C SER A 32 6.076 4.985 12.510 1.00 0.92 C ATOM 493 O SER A 32 6.080 5.178 13.725 1.00 1.04 O ATOM 494 CB SER A 32 4.684 5.344 10.393 1.00 1.10 C ATOM 495 OG SER A 32 5.657 4.810 9.511 1.00 1.74 O ATOM 0 H SER A 32 4.015 6.138 13.082 1.00 1.14 H new ATOM 0 HA SER A 32 4.645 3.638 11.665 1.00 1.02 H new ATOM 0 HB2 SER A 32 3.691 5.186 9.972 1.00 1.10 H new ATOM 0 HB3 SER A 32 4.827 6.421 10.477 1.00 1.10 H new ATOM 0 HG SER A 32 5.211 4.399 8.742 1.00 1.74 H new ATOM 501 N LEU A 33 7.184 4.996 11.765 1.00 0.85 N ATOM 502 CA LEU A 33 8.545 5.101 12.274 1.00 0.83 C ATOM 503 C LEU A 33 9.089 6.502 11.983 1.00 0.85 C ATOM 504 O LEU A 33 8.338 7.378 11.538 1.00 0.97 O ATOM 505 CB LEU A 33 9.439 4.023 11.629 1.00 0.97 C ATOM 506 CG LEU A 33 8.982 2.561 11.746 1.00 1.01 C ATOM 507 CD1 LEU A 33 8.539 2.175 13.162 1.00 1.38 C ATOM 508 CD2 LEU A 33 7.914 2.225 10.708 1.00 1.07 C ATOM 0 H LEU A 33 7.151 4.929 10.748 1.00 0.85 H new ATOM 0 HA LEU A 33 8.544 4.939 13.352 1.00 0.83 H new ATOM 0 HB2 LEU A 33 9.541 4.260 10.570 1.00 0.97 H new ATOM 0 HB3 LEU A 33 10.433 4.101 12.070 1.00 0.97 H new ATOM 0 HG LEU A 33 9.860 1.951 11.533 1.00 1.01 H new ATOM 0 HD11 LEU A 33 8.229 1.130 13.174 1.00 1.38 H new ATOM 0 HD12 LEU A 33 9.369 2.315 13.854 1.00 1.38 H new ATOM 0 HD13 LEU A 33 7.703 2.805 13.466 1.00 1.38 H new ATOM 0 HD21 LEU A 33 7.614 1.183 10.819 1.00 1.07 H new ATOM 0 HD22 LEU A 33 7.048 2.870 10.855 1.00 1.07 H new ATOM 0 HD23 LEU A 33 8.317 2.382 9.707 1.00 1.07 H new ATOM 520 N SER A 34 10.389 6.708 12.220 1.00 0.87 N ATOM 521 CA SER A 34 11.064 7.950 11.857 1.00 0.96 C ATOM 522 C SER A 34 11.303 7.968 10.343 1.00 0.85 C ATOM 523 O SER A 34 11.347 6.907 9.723 1.00 0.79 O ATOM 524 CB SER A 34 12.354 8.140 12.671 1.00 1.14 C ATOM 525 OG SER A 34 13.075 9.280 12.240 1.00 2.53 O ATOM 0 H SER A 34 10.996 6.021 12.666 1.00 0.87 H new ATOM 0 HA SER A 34 10.430 8.801 12.106 1.00 0.96 H new ATOM 0 HB2 SER A 34 12.107 8.242 13.728 1.00 1.14 H new ATOM 0 HB3 SER A 34 12.981 7.253 12.574 1.00 1.14 H new ATOM 0 HG SER A 34 12.804 10.058 12.771 1.00 2.53 H new ATOM 531 N VAL A 35 11.437 9.141 9.715 1.00 0.88 N ATOM 532 CA VAL A 35 11.542 9.216 8.258 1.00 0.92 C ATOM 533 C VAL A 35 12.867 8.624 7.771 1.00 0.93 C ATOM 534 O VAL A 35 12.884 7.791 6.860 1.00 0.93 O ATOM 535 CB VAL A 35 11.376 10.645 7.720 1.00 1.05 C ATOM 536 CG1 VAL A 35 10.947 10.594 6.251 1.00 0.93 C ATOM 537 CG2 VAL A 35 10.324 11.474 8.466 1.00 1.27 C ATOM 0 H VAL A 35 11.475 10.043 10.190 1.00 0.88 H new ATOM 0 HA VAL A 35 10.717 8.623 7.864 1.00 0.92 H new ATOM 0 HB VAL A 35 12.346 11.123 7.858 1.00 1.05 H new ATOM 0 HG11 VAL A 35 10.830 11.609 5.871 1.00 0.93 H new ATOM 0 HG12 VAL A 35 11.707 10.074 5.668 1.00 0.93 H new ATOM 0 HG13 VAL A 35 9.999 10.063 6.167 1.00 0.93 H new ATOM 0 HG21 VAL A 35 10.267 12.470 8.026 1.00 1.27 H new ATOM 0 HG22 VAL A 35 9.353 10.986 8.386 1.00 1.27 H new ATOM 0 HG23 VAL A 35 10.604 11.557 9.516 1.00 1.27 H new ATOM 547 N ASN A 36 13.984 9.084 8.348 1.00 1.00 N ATOM 548 CA ASN A 36 15.313 8.654 7.913 1.00 1.06 C ATOM 549 C ASN A 36 15.382 7.127 7.984 1.00 0.94 C ATOM 550 O ASN A 36 15.636 6.435 6.998 1.00 0.88 O ATOM 551 CB ASN A 36 16.410 9.255 8.809 1.00 1.31 C ATOM 552 CG ASN A 36 17.761 9.185 8.108 1.00 2.32 C ATOM 553 OD1 ASN A 36 18.565 8.310 8.401 1.00 3.20 O ATOM 554 ND2 ASN A 36 18.033 10.098 7.177 1.00 2.68 N ATOM 0 H ASN A 36 13.991 9.754 9.117 1.00 1.00 H new ATOM 0 HA ASN A 36 15.479 8.999 6.893 1.00 1.06 H new ATOM 0 HB2 ASN A 36 16.169 10.291 9.046 1.00 1.31 H new ATOM 0 HB3 ASN A 36 16.454 8.714 9.754 1.00 1.31 H new ATOM 0 HD21 ASN A 36 18.929 10.078 6.690 1.00 2.68 H new ATOM 0 HD22 ASN A 36 17.345 10.817 6.951 1.00 2.68 H new ATOM 561 N GLU A 37 15.075 6.643 9.189 1.00 0.99 N ATOM 562 CA GLU A 37 14.924 5.255 9.578 1.00 0.96 C ATOM 563 C GLU A 37 14.056 4.521 8.555 1.00 0.84 C ATOM 564 O GLU A 37 14.523 3.588 7.906 1.00 0.87 O ATOM 565 CB GLU A 37 14.292 5.292 10.975 1.00 1.04 C ATOM 566 CG GLU A 37 13.931 3.948 11.602 1.00 1.30 C ATOM 567 CD GLU A 37 13.308 4.174 12.975 1.00 1.97 C ATOM 568 OE1 GLU A 37 12.356 4.988 13.033 1.00 2.89 O ATOM 569 OE2 GLU A 37 13.814 3.562 13.937 1.00 2.85 O ATOM 0 H GLU A 37 14.914 7.270 9.977 1.00 0.99 H new ATOM 0 HA GLU A 37 15.869 4.713 9.607 1.00 0.96 H new ATOM 0 HB2 GLU A 37 14.980 5.806 11.646 1.00 1.04 H new ATOM 0 HB3 GLU A 37 13.387 5.897 10.923 1.00 1.04 H new ATOM 0 HG2 GLU A 37 13.233 3.411 10.959 1.00 1.30 H new ATOM 0 HG3 GLU A 37 14.822 3.327 11.694 1.00 1.30 H new ATOM 576 N PHE A 38 12.807 4.966 8.389 1.00 0.78 N ATOM 577 CA PHE A 38 11.846 4.414 7.447 1.00 0.67 C ATOM 578 C PHE A 38 12.482 4.136 6.088 1.00 0.56 C ATOM 579 O PHE A 38 12.350 3.018 5.598 1.00 0.53 O ATOM 580 CB PHE A 38 10.625 5.334 7.319 1.00 0.75 C ATOM 581 CG PHE A 38 9.773 5.103 6.086 1.00 0.74 C ATOM 582 CD1 PHE A 38 8.808 4.080 6.069 1.00 1.56 C ATOM 583 CD2 PHE A 38 10.030 5.841 4.916 1.00 1.80 C ATOM 584 CE1 PHE A 38 8.107 3.799 4.884 1.00 1.65 C ATOM 585 CE2 PHE A 38 9.370 5.519 3.719 1.00 1.88 C ATOM 586 CZ PHE A 38 8.394 4.509 3.707 1.00 1.06 C ATOM 0 H PHE A 38 12.431 5.746 8.927 1.00 0.78 H new ATOM 0 HA PHE A 38 11.507 3.455 7.840 1.00 0.67 H new ATOM 0 HB2 PHE A 38 10.000 5.207 8.203 1.00 0.75 H new ATOM 0 HB3 PHE A 38 10.968 6.369 7.316 1.00 0.75 H new ATOM 0 HD1 PHE A 38 8.606 3.512 6.965 1.00 1.56 H new ATOM 0 HD2 PHE A 38 10.737 6.657 4.939 1.00 1.80 H new ATOM 0 HE1 PHE A 38 7.345 3.034 4.878 1.00 1.65 H new ATOM 0 HE2 PHE A 38 9.613 6.047 2.809 1.00 1.88 H new ATOM 0 HZ PHE A 38 7.865 4.279 2.794 1.00 1.06 H new ATOM 596 N LYS A 39 13.159 5.120 5.474 1.00 0.58 N ATOM 597 CA LYS A 39 13.728 4.912 4.142 1.00 0.53 C ATOM 598 C LYS A 39 14.606 3.657 4.146 1.00 0.60 C ATOM 599 O LYS A 39 14.448 2.773 3.297 1.00 0.64 O ATOM 600 CB LYS A 39 14.486 6.157 3.629 1.00 0.70 C ATOM 601 CG LYS A 39 14.724 6.124 2.103 1.00 1.01 C ATOM 602 CD LYS A 39 15.949 5.306 1.642 1.00 2.13 C ATOM 603 CE LYS A 39 15.869 5.019 0.130 1.00 3.49 C ATOM 604 NZ LYS A 39 16.778 3.933 -0.308 1.00 5.01 N ATOM 0 H LYS A 39 13.321 6.045 5.871 1.00 0.58 H new ATOM 0 HA LYS A 39 12.910 4.756 3.438 1.00 0.53 H new ATOM 0 HB2 LYS A 39 13.920 7.053 3.885 1.00 0.70 H new ATOM 0 HB3 LYS A 39 15.446 6.229 4.141 1.00 0.70 H new ATOM 0 HG2 LYS A 39 13.835 5.717 1.622 1.00 1.01 H new ATOM 0 HG3 LYS A 39 14.838 7.148 1.748 1.00 1.01 H new ATOM 0 HD2 LYS A 39 16.864 5.854 1.866 1.00 2.13 H new ATOM 0 HD3 LYS A 39 15.996 4.367 2.194 1.00 2.13 H new ATOM 0 HE2 LYS A 39 14.844 4.753 -0.129 1.00 3.49 H new ATOM 0 HE3 LYS A 39 16.110 5.929 -0.419 1.00 3.49 H new ATOM 0 HZ1 LYS A 39 16.805 3.901 -1.347 1.00 5.01 H new ATOM 0 HZ2 LYS A 39 17.735 4.112 0.058 1.00 5.01 H new ATOM 0 HZ3 LYS A 39 16.433 3.023 0.057 1.00 5.01 H new ATOM 618 N GLU A 40 15.544 3.581 5.090 1.00 0.75 N ATOM 619 CA GLU A 40 16.480 2.472 5.156 1.00 0.93 C ATOM 620 C GLU A 40 15.784 1.166 5.555 1.00 0.84 C ATOM 621 O GLU A 40 16.096 0.111 5.006 1.00 1.00 O ATOM 622 CB GLU A 40 17.668 2.830 6.049 1.00 1.25 C ATOM 623 CG GLU A 40 18.343 4.108 5.522 1.00 1.35 C ATOM 624 CD GLU A 40 19.799 4.210 5.956 1.00 2.05 C ATOM 625 OE1 GLU A 40 20.093 3.762 7.084 1.00 2.47 O ATOM 626 OE2 GLU A 40 20.593 4.712 5.132 1.00 2.88 O ATOM 0 H GLU A 40 15.671 4.281 5.821 1.00 0.75 H new ATOM 0 HA GLU A 40 16.881 2.290 4.159 1.00 0.93 H new ATOM 0 HB2 GLU A 40 17.332 2.981 7.075 1.00 1.25 H new ATOM 0 HB3 GLU A 40 18.384 2.009 6.065 1.00 1.25 H new ATOM 0 HG2 GLU A 40 18.288 4.123 4.433 1.00 1.35 H new ATOM 0 HG3 GLU A 40 17.797 4.980 5.881 1.00 1.35 H new ATOM 633 N LEU A 41 14.800 1.225 6.455 1.00 0.71 N ATOM 634 CA LEU A 41 13.978 0.065 6.769 1.00 0.69 C ATOM 635 C LEU A 41 13.335 -0.477 5.493 1.00 0.62 C ATOM 636 O LEU A 41 13.533 -1.642 5.165 1.00 0.73 O ATOM 637 CB LEU A 41 12.913 0.392 7.828 1.00 0.76 C ATOM 638 CG LEU A 41 13.458 0.619 9.249 1.00 1.19 C ATOM 639 CD1 LEU A 41 12.277 0.959 10.165 1.00 2.33 C ATOM 640 CD2 LEU A 41 14.176 -0.610 9.822 1.00 2.05 C ATOM 0 H LEU A 41 14.557 2.067 6.977 1.00 0.71 H new ATOM 0 HA LEU A 41 14.623 -0.704 7.194 1.00 0.69 H new ATOM 0 HB2 LEU A 41 12.373 1.286 7.515 1.00 0.76 H new ATOM 0 HB3 LEU A 41 12.190 -0.423 7.858 1.00 0.76 H new ATOM 0 HG LEU A 41 14.188 1.427 9.196 1.00 1.19 H new ATOM 0 HD11 LEU A 41 12.639 1.124 11.180 1.00 2.33 H new ATOM 0 HD12 LEU A 41 11.785 1.862 9.804 1.00 2.33 H new ATOM 0 HD13 LEU A 41 11.566 0.133 10.164 1.00 2.33 H new ATOM 0 HD21 LEU A 41 14.537 -0.385 10.826 1.00 2.05 H new ATOM 0 HD22 LEU A 41 13.482 -1.450 9.865 1.00 2.05 H new ATOM 0 HD23 LEU A 41 15.020 -0.869 9.183 1.00 2.05 H new ATOM 652 N VAL A 42 12.583 0.337 4.747 1.00 0.53 N ATOM 653 CA VAL A 42 11.929 -0.172 3.547 1.00 0.55 C ATOM 654 C VAL A 42 12.968 -0.652 2.526 1.00 0.62 C ATOM 655 O VAL A 42 12.840 -1.753 2.005 1.00 0.71 O ATOM 656 CB VAL A 42 10.849 0.768 2.986 1.00 0.60 C ATOM 657 CG1 VAL A 42 9.772 1.030 4.042 1.00 1.55 C ATOM 658 CG2 VAL A 42 11.382 2.097 2.439 1.00 1.29 C ATOM 0 H VAL A 42 12.417 1.323 4.947 1.00 0.53 H new ATOM 0 HA VAL A 42 11.353 -1.053 3.830 1.00 0.55 H new ATOM 0 HB VAL A 42 10.424 0.244 2.130 1.00 0.60 H new ATOM 0 HG11 VAL A 42 9.014 1.697 3.631 1.00 1.55 H new ATOM 0 HG12 VAL A 42 9.308 0.087 4.330 1.00 1.55 H new ATOM 0 HG13 VAL A 42 10.226 1.493 4.918 1.00 1.55 H new ATOM 0 HG21 VAL A 42 10.552 2.696 2.065 1.00 1.29 H new ATOM 0 HG22 VAL A 42 11.891 2.640 3.235 1.00 1.29 H new ATOM 0 HG23 VAL A 42 12.083 1.902 1.628 1.00 1.29 H new ATOM 668 N THR A 43 14.041 0.112 2.298 1.00 0.64 N ATOM 669 CA THR A 43 15.178 -0.347 1.492 1.00 0.70 C ATOM 670 C THR A 43 15.546 -1.788 1.851 1.00 0.90 C ATOM 671 O THR A 43 15.609 -2.660 0.988 1.00 1.23 O ATOM 672 CB THR A 43 16.390 0.570 1.710 1.00 0.74 C ATOM 673 OG1 THR A 43 16.078 1.879 1.278 1.00 2.04 O ATOM 674 CG2 THR A 43 17.664 0.049 1.036 1.00 1.80 C ATOM 0 H THR A 43 14.146 1.058 2.663 1.00 0.64 H new ATOM 0 HA THR A 43 14.889 -0.311 0.442 1.00 0.70 H new ATOM 0 HB THR A 43 16.605 0.583 2.778 1.00 0.74 H new ATOM 0 HG1 THR A 43 15.401 2.267 1.871 1.00 2.04 H new ATOM 0 HG21 THR A 43 18.485 0.740 1.226 1.00 1.80 H new ATOM 0 HG22 THR A 43 17.914 -0.932 1.440 1.00 1.80 H new ATOM 0 HG23 THR A 43 17.500 -0.032 -0.038 1.00 1.80 H new ATOM 682 N GLN A 44 15.792 -2.028 3.139 1.00 0.82 N ATOM 683 CA GLN A 44 16.213 -3.326 3.623 1.00 0.96 C ATOM 684 C GLN A 44 15.120 -4.376 3.395 1.00 0.96 C ATOM 685 O GLN A 44 15.396 -5.466 2.900 1.00 1.13 O ATOM 686 CB GLN A 44 16.564 -3.198 5.104 1.00 1.00 C ATOM 687 CG GLN A 44 17.410 -4.397 5.521 1.00 1.83 C ATOM 688 CD GLN A 44 17.419 -4.583 7.034 1.00 2.16 C ATOM 689 OE1 GLN A 44 18.470 -4.545 7.664 1.00 2.87 O ATOM 690 NE2 GLN A 44 16.249 -4.795 7.635 1.00 3.11 N ATOM 0 H GLN A 44 15.703 -1.322 3.870 1.00 0.82 H new ATOM 0 HA GLN A 44 17.091 -3.661 3.071 1.00 0.96 H new ATOM 0 HB2 GLN A 44 17.110 -2.272 5.282 1.00 1.00 H new ATOM 0 HB3 GLN A 44 15.655 -3.152 5.704 1.00 1.00 H new ATOM 0 HG2 GLN A 44 17.023 -5.298 5.046 1.00 1.83 H new ATOM 0 HG3 GLN A 44 18.431 -4.263 5.165 1.00 1.83 H new ATOM 0 HE21 GLN A 44 15.390 -4.821 7.085 1.00 3.11 H new ATOM 0 HE22 GLN A 44 16.212 -4.931 8.645 1.00 3.11 H new ATOM 699 N GLN A 45 13.882 -4.041 3.766 1.00 0.84 N ATOM 700 CA GLN A 45 12.729 -4.924 3.648 1.00 0.88 C ATOM 701 C GLN A 45 12.448 -5.275 2.192 1.00 0.99 C ATOM 702 O GLN A 45 11.787 -6.283 1.957 1.00 1.23 O ATOM 703 CB GLN A 45 11.478 -4.269 4.242 1.00 0.85 C ATOM 704 CG GLN A 45 11.327 -4.405 5.769 1.00 0.87 C ATOM 705 CD GLN A 45 12.547 -4.047 6.626 1.00 0.96 C ATOM 706 OE1 GLN A 45 13.609 -4.660 6.538 1.00 2.08 O ATOM 707 NE2 GLN A 45 12.389 -3.089 7.536 1.00 1.94 N ATOM 0 H GLN A 45 13.653 -3.130 4.164 1.00 0.84 H new ATOM 0 HA GLN A 45 12.967 -5.834 4.199 1.00 0.88 H new ATOM 0 HB2 GLN A 45 11.487 -3.209 3.987 1.00 0.85 H new ATOM 0 HB3 GLN A 45 10.599 -4.704 3.766 1.00 0.85 H new ATOM 0 HG2 GLN A 45 10.495 -3.775 6.084 1.00 0.87 H new ATOM 0 HG3 GLN A 45 11.048 -5.435 5.991 1.00 0.87 H new ATOM 0 HE21 GLN A 45 11.503 -2.587 7.600 1.00 1.94 H new ATOM 0 HE22 GLN A 45 13.154 -2.857 8.170 1.00 1.94 H new ATOM 716 N LEU A 46 12.913 -4.445 1.250 1.00 0.91 N ATOM 717 CA LEU A 46 12.748 -4.603 -0.187 1.00 1.05 C ATOM 718 C LEU A 46 14.026 -5.183 -0.833 1.00 1.19 C ATOM 719 O LEU A 46 14.599 -4.542 -1.716 1.00 1.36 O ATOM 720 CB LEU A 46 12.447 -3.210 -0.785 1.00 0.95 C ATOM 721 CG LEU A 46 11.102 -2.520 -0.456 1.00 1.29 C ATOM 722 CD1 LEU A 46 10.243 -2.469 -1.725 1.00 2.35 C ATOM 723 CD2 LEU A 46 10.296 -3.038 0.748 1.00 2.74 C ATOM 0 H LEU A 46 13.440 -3.605 1.489 1.00 0.91 H new ATOM 0 HA LEU A 46 11.932 -5.297 -0.387 1.00 1.05 H new ATOM 0 HB2 LEU A 46 13.246 -2.538 -0.470 1.00 0.95 H new ATOM 0 HB3 LEU A 46 12.514 -3.298 -1.869 1.00 0.95 H new ATOM 0 HG LEU A 46 11.387 -1.525 -0.114 1.00 1.29 H new ATOM 0 HD11 LEU A 46 9.293 -1.984 -1.502 1.00 2.35 H new ATOM 0 HD12 LEU A 46 10.766 -1.904 -2.496 1.00 2.35 H new ATOM 0 HD13 LEU A 46 10.058 -3.483 -2.080 1.00 2.35 H new ATOM 0 HD21 LEU A 46 9.380 -2.456 0.850 1.00 2.74 H new ATOM 0 HD22 LEU A 46 10.044 -4.087 0.593 1.00 2.74 H new ATOM 0 HD23 LEU A 46 10.892 -2.939 1.655 1.00 2.74 H new ATOM 735 N PRO A 47 14.512 -6.385 -0.469 1.00 1.27 N ATOM 736 CA PRO A 47 15.800 -6.875 -0.940 1.00 1.40 C ATOM 737 C PRO A 47 15.791 -7.229 -2.433 1.00 1.32 C ATOM 738 O PRO A 47 16.863 -7.454 -3.003 1.00 1.21 O ATOM 739 CB PRO A 47 16.089 -8.105 -0.075 1.00 1.72 C ATOM 740 CG PRO A 47 14.693 -8.677 0.132 1.00 1.78 C ATOM 741 CD PRO A 47 13.899 -7.398 0.375 1.00 1.43 C ATOM 0 HA PRO A 47 16.570 -6.109 -0.847 1.00 1.40 H new ATOM 0 HB2 PRO A 47 16.750 -8.812 -0.577 1.00 1.72 H new ATOM 0 HB3 PRO A 47 16.565 -7.838 0.868 1.00 1.72 H new ATOM 0 HG2 PRO A 47 14.337 -9.226 -0.740 1.00 1.78 H new ATOM 0 HG3 PRO A 47 14.647 -9.360 0.980 1.00 1.78 H new ATOM 0 HD2 PRO A 47 12.848 -7.536 0.120 1.00 1.43 H new ATOM 0 HD3 PRO A 47 13.937 -7.108 1.425 1.00 1.43 H new ATOM 749 N HIS A 48 14.606 -7.326 -3.056 1.00 1.67 N ATOM 750 CA HIS A 48 14.406 -7.735 -4.442 1.00 1.76 C ATOM 751 C HIS A 48 15.398 -7.070 -5.401 1.00 1.86 C ATOM 752 O HIS A 48 15.920 -7.742 -6.290 1.00 2.87 O ATOM 753 CB HIS A 48 12.958 -7.456 -4.867 1.00 1.85 C ATOM 754 CG HIS A 48 12.662 -7.899 -6.282 1.00 2.25 C ATOM 755 ND1 HIS A 48 13.132 -7.299 -7.429 1.00 3.25 N ATOM 756 CD2 HIS A 48 11.970 -9.018 -6.660 1.00 3.37 C ATOM 757 CE1 HIS A 48 12.735 -8.042 -8.473 1.00 4.04 C ATOM 758 NE2 HIS A 48 11.998 -9.080 -8.058 1.00 3.89 N ATOM 0 H HIS A 48 13.729 -7.111 -2.582 1.00 1.67 H new ATOM 0 HA HIS A 48 14.596 -8.807 -4.498 1.00 1.76 H new ATOM 0 HB2 HIS A 48 12.280 -7.966 -4.183 1.00 1.85 H new ATOM 0 HB3 HIS A 48 12.758 -6.388 -4.777 1.00 1.85 H new ATOM 0 HD1 HIS A 48 13.684 -6.442 -7.476 1.00 3.25 H new ATOM 0 HD2 HIS A 48 11.490 -9.725 -5.999 1.00 3.37 H new ATOM 0 HE1 HIS A 48 12.976 -7.832 -9.505 1.00 4.04 H new ATOM 766 N LEU A 49 15.671 -5.771 -5.231 1.00 1.59 N ATOM 767 CA LEU A 49 16.729 -5.077 -5.976 1.00 1.58 C ATOM 768 C LEU A 49 17.050 -3.691 -5.392 1.00 1.52 C ATOM 769 O LEU A 49 18.143 -3.191 -5.628 1.00 1.43 O ATOM 770 CB LEU A 49 16.399 -4.972 -7.484 1.00 1.55 C ATOM 771 CG LEU A 49 17.532 -5.363 -8.456 1.00 1.62 C ATOM 772 CD1 LEU A 49 18.852 -4.626 -8.207 1.00 2.44 C ATOM 773 CD2 LEU A 49 17.791 -6.874 -8.482 1.00 3.07 C ATOM 0 H LEU A 49 15.167 -5.173 -4.576 1.00 1.59 H new ATOM 0 HA LEU A 49 17.624 -5.690 -5.868 1.00 1.58 H new ATOM 0 HB2 LEU A 49 15.536 -5.605 -7.691 1.00 1.55 H new ATOM 0 HB3 LEU A 49 16.101 -3.946 -7.699 1.00 1.55 H new ATOM 0 HG LEU A 49 17.160 -5.047 -9.431 1.00 1.62 H new ATOM 0 HD11 LEU A 49 19.596 -4.957 -8.932 1.00 2.44 H new ATOM 0 HD12 LEU A 49 18.695 -3.553 -8.313 1.00 2.44 H new ATOM 0 HD13 LEU A 49 19.205 -4.843 -7.199 1.00 2.44 H new ATOM 0 HD21 LEU A 49 18.597 -7.093 -9.182 1.00 3.07 H new ATOM 0 HD22 LEU A 49 18.074 -7.212 -7.485 1.00 3.07 H new ATOM 0 HD23 LEU A 49 16.886 -7.393 -8.797 1.00 3.07 H new ATOM 785 N LEU A 50 16.108 -3.070 -4.664 1.00 1.78 N ATOM 786 CA LEU A 50 16.191 -1.727 -4.079 1.00 1.89 C ATOM 787 C LEU A 50 16.875 -0.717 -5.011 1.00 1.91 C ATOM 788 O LEU A 50 17.763 0.046 -4.639 1.00 2.09 O ATOM 789 CB LEU A 50 16.639 -1.732 -2.601 1.00 2.14 C ATOM 790 CG LEU A 50 17.960 -2.392 -2.150 1.00 2.40 C ATOM 791 CD1 LEU A 50 18.022 -3.916 -2.305 1.00 4.26 C ATOM 792 CD2 LEU A 50 19.200 -1.750 -2.767 1.00 3.71 C ATOM 0 H LEU A 50 15.217 -3.521 -4.457 1.00 1.78 H new ATOM 0 HA LEU A 50 15.176 -1.337 -4.006 1.00 1.89 H new ATOM 0 HB2 LEU A 50 16.683 -0.691 -2.282 1.00 2.14 H new ATOM 0 HB3 LEU A 50 15.840 -2.207 -2.032 1.00 2.14 H new ATOM 0 HG LEU A 50 17.964 -2.196 -1.078 1.00 2.40 H new ATOM 0 HD11 LEU A 50 18.991 -4.278 -1.960 1.00 4.26 H new ATOM 0 HD12 LEU A 50 17.231 -4.375 -1.712 1.00 4.26 H new ATOM 0 HD13 LEU A 50 17.889 -4.181 -3.354 1.00 4.26 H new ATOM 0 HD21 LEU A 50 20.092 -2.262 -2.407 1.00 3.71 H new ATOM 0 HD22 LEU A 50 19.149 -1.829 -3.853 1.00 3.71 H new ATOM 0 HD23 LEU A 50 19.246 -0.699 -2.482 1.00 3.71 H new ATOM 804 N LYS A 51 16.446 -0.773 -6.273 1.00 1.80 N ATOM 805 CA LYS A 51 17.041 -0.063 -7.399 1.00 1.83 C ATOM 806 C LYS A 51 16.557 1.385 -7.497 1.00 1.71 C ATOM 807 O LYS A 51 17.282 2.238 -7.998 1.00 1.75 O ATOM 808 CB LYS A 51 16.793 -0.851 -8.690 1.00 1.88 C ATOM 809 CG LYS A 51 15.303 -1.009 -9.017 1.00 1.83 C ATOM 810 CD LYS A 51 14.751 0.078 -9.944 1.00 1.86 C ATOM 811 CE LYS A 51 14.873 -0.214 -11.436 1.00 2.00 C ATOM 812 NZ LYS A 51 16.274 -0.161 -11.902 1.00 2.57 N ATOM 0 H LYS A 51 15.642 -1.338 -6.546 1.00 1.80 H new ATOM 0 HA LYS A 51 18.117 0.003 -7.236 1.00 1.83 H new ATOM 0 HB2 LYS A 51 17.290 -0.346 -9.519 1.00 1.88 H new ATOM 0 HB3 LYS A 51 17.246 -1.838 -8.600 1.00 1.88 H new ATOM 0 HG2 LYS A 51 15.144 -1.983 -9.481 1.00 1.83 H new ATOM 0 HG3 LYS A 51 14.735 -1.002 -8.087 1.00 1.83 H new ATOM 0 HD2 LYS A 51 13.699 0.235 -9.706 1.00 1.86 H new ATOM 0 HD3 LYS A 51 15.269 1.013 -9.730 1.00 1.86 H new ATOM 0 HE2 LYS A 51 14.459 -1.200 -11.647 1.00 2.00 H new ATOM 0 HE3 LYS A 51 14.278 0.508 -11.996 1.00 2.00 H new ATOM 0 HZ1 LYS A 51 16.296 -0.196 -12.941 1.00 2.57 H new ATOM 0 HZ2 LYS A 51 16.715 0.723 -11.576 1.00 2.57 H new ATOM 0 HZ3 LYS A 51 16.799 -0.972 -11.517 1.00 2.57 H new ATOM 826 N ASP A 52 15.304 1.606 -7.093 1.00 1.63 N ATOM 827 CA ASP A 52 14.720 2.861 -6.659 1.00 1.64 C ATOM 828 C ASP A 52 15.120 4.082 -7.497 1.00 1.54 C ATOM 829 O ASP A 52 16.116 4.742 -7.211 1.00 1.73 O ATOM 830 CB ASP A 52 14.957 3.035 -5.147 1.00 1.98 C ATOM 831 CG ASP A 52 14.617 1.808 -4.299 1.00 2.16 C ATOM 832 OD1 ASP A 52 14.129 0.806 -4.881 1.00 2.78 O ATOM 833 OD2 ASP A 52 14.891 1.886 -3.081 1.00 2.87 O ATOM 0 H ASP A 52 14.624 0.846 -7.061 1.00 1.63 H new ATOM 0 HA ASP A 52 13.646 2.803 -6.838 1.00 1.64 H new ATOM 0 HB2 ASP A 52 16.004 3.293 -4.985 1.00 1.98 H new ATOM 0 HB3 ASP A 52 14.363 3.878 -4.795 1.00 1.98 H new ATOM 838 N VAL A 53 14.325 4.393 -8.529 1.00 1.38 N ATOM 839 CA VAL A 53 14.575 5.496 -9.451 1.00 1.36 C ATOM 840 C VAL A 53 13.454 6.546 -9.415 1.00 1.23 C ATOM 841 O VAL A 53 12.273 6.236 -9.226 1.00 1.66 O ATOM 842 CB VAL A 53 14.816 4.960 -10.873 1.00 1.80 C ATOM 843 CG1 VAL A 53 16.114 4.145 -10.928 1.00 2.81 C ATOM 844 CG2 VAL A 53 13.651 4.108 -11.395 1.00 3.75 C ATOM 0 H VAL A 53 13.475 3.872 -8.746 1.00 1.38 H new ATOM 0 HA VAL A 53 15.480 6.008 -9.124 1.00 1.36 H new ATOM 0 HB VAL A 53 14.898 5.833 -11.521 1.00 1.80 H new ATOM 0 HG11 VAL A 53 16.268 3.774 -11.941 1.00 2.81 H new ATOM 0 HG12 VAL A 53 16.954 4.778 -10.642 1.00 2.81 H new ATOM 0 HG13 VAL A 53 16.044 3.303 -10.240 1.00 2.81 H new ATOM 0 HG21 VAL A 53 13.879 3.758 -12.402 1.00 3.75 H new ATOM 0 HG22 VAL A 53 13.504 3.251 -10.738 1.00 3.75 H new ATOM 0 HG23 VAL A 53 12.742 4.709 -11.417 1.00 3.75 H new ATOM 854 N GLY A 54 13.834 7.811 -9.623 1.00 1.19 N ATOM 855 CA GLY A 54 12.924 8.942 -9.725 1.00 1.24 C ATOM 856 C GLY A 54 12.327 9.288 -8.365 1.00 1.18 C ATOM 857 O GLY A 54 12.773 10.219 -7.699 1.00 1.34 O ATOM 0 H GLY A 54 14.813 8.077 -9.727 1.00 1.19 H new ATOM 0 HA2 GLY A 54 13.456 9.806 -10.123 1.00 1.24 H new ATOM 0 HA3 GLY A 54 12.125 8.708 -10.428 1.00 1.24 H new ATOM 861 N SER A 55 11.341 8.509 -7.924 1.00 1.12 N ATOM 862 CA SER A 55 10.665 8.784 -6.664 1.00 1.14 C ATOM 863 C SER A 55 11.559 8.485 -5.462 1.00 1.06 C ATOM 864 O SER A 55 11.306 8.948 -4.351 1.00 1.13 O ATOM 865 CB SER A 55 9.276 8.160 -6.622 1.00 1.32 C ATOM 866 OG SER A 55 8.589 8.527 -7.804 1.00 1.40 O ATOM 0 H SER A 55 10.996 7.687 -8.420 1.00 1.12 H new ATOM 0 HA SER A 55 10.479 9.856 -6.595 1.00 1.14 H new ATOM 0 HB2 SER A 55 9.349 7.075 -6.546 1.00 1.32 H new ATOM 0 HB3 SER A 55 8.731 8.505 -5.743 1.00 1.32 H new ATOM 0 HG SER A 55 8.664 9.495 -7.939 1.00 1.40 H new ATOM 872 N LEU A 56 12.638 7.729 -5.678 1.00 1.01 N ATOM 873 CA LEU A 56 13.774 7.735 -4.772 1.00 0.98 C ATOM 874 C LEU A 56 14.165 9.177 -4.475 1.00 0.97 C ATOM 875 O LEU A 56 14.168 9.586 -3.320 1.00 0.96 O ATOM 876 CB LEU A 56 14.933 6.965 -5.417 1.00 1.05 C ATOM 877 CG LEU A 56 16.238 6.866 -4.605 1.00 1.66 C ATOM 878 CD1 LEU A 56 17.068 8.156 -4.552 1.00 1.62 C ATOM 879 CD2 LEU A 56 16.005 6.325 -3.192 1.00 3.00 C ATOM 0 H LEU A 56 12.743 7.105 -6.478 1.00 1.01 H new ATOM 0 HA LEU A 56 13.519 7.247 -3.831 1.00 0.98 H new ATOM 0 HB2 LEU A 56 14.590 5.953 -5.633 1.00 1.05 H new ATOM 0 HB3 LEU A 56 15.163 7.435 -6.373 1.00 1.05 H new ATOM 0 HG LEU A 56 16.836 6.148 -5.166 1.00 1.66 H new ATOM 0 HD11 LEU A 56 17.966 7.987 -3.958 1.00 1.62 H new ATOM 0 HD12 LEU A 56 17.351 8.448 -5.563 1.00 1.62 H new ATOM 0 HD13 LEU A 56 16.477 8.951 -4.097 1.00 1.62 H new ATOM 0 HD21 LEU A 56 16.955 6.274 -2.661 1.00 3.00 H new ATOM 0 HD22 LEU A 56 15.325 6.987 -2.657 1.00 3.00 H new ATOM 0 HD23 LEU A 56 15.569 5.328 -3.252 1.00 3.00 H new ATOM 891 N ASP A 57 14.479 9.946 -5.520 1.00 1.09 N ATOM 892 CA ASP A 57 14.980 11.300 -5.384 1.00 1.28 C ATOM 893 C ASP A 57 13.903 12.203 -4.776 1.00 1.17 C ATOM 894 O ASP A 57 14.164 12.934 -3.825 1.00 1.18 O ATOM 895 CB ASP A 57 15.482 11.807 -6.743 1.00 1.64 C ATOM 896 CG ASP A 57 15.806 13.289 -6.699 1.00 2.10 C ATOM 897 OD1 ASP A 57 16.564 13.694 -5.798 1.00 3.03 O ATOM 898 OD2 ASP A 57 15.211 14.027 -7.515 1.00 2.46 O ATOM 0 H ASP A 57 14.389 9.637 -6.488 1.00 1.09 H new ATOM 0 HA ASP A 57 15.828 11.316 -4.700 1.00 1.28 H new ATOM 0 HB2 ASP A 57 16.371 11.248 -7.035 1.00 1.64 H new ATOM 0 HB3 ASP A 57 14.724 11.622 -7.504 1.00 1.64 H new ATOM 903 N GLU A 58 12.673 12.149 -5.302 1.00 1.17 N ATOM 904 CA GLU A 58 11.531 12.861 -4.720 1.00 1.24 C ATOM 905 C GLU A 58 11.457 12.632 -3.201 1.00 1.13 C ATOM 906 O GLU A 58 11.491 13.571 -2.401 1.00 1.39 O ATOM 907 CB GLU A 58 10.224 12.453 -5.414 1.00 1.30 C ATOM 908 CG GLU A 58 10.272 12.694 -6.932 1.00 2.11 C ATOM 909 CD GLU A 58 8.967 12.284 -7.603 1.00 2.76 C ATOM 910 OE1 GLU A 58 8.056 13.136 -7.628 1.00 2.98 O ATOM 911 OE2 GLU A 58 8.905 11.125 -8.075 1.00 4.15 O ATOM 0 H GLU A 58 12.443 11.613 -6.139 1.00 1.17 H new ATOM 0 HA GLU A 58 11.674 13.929 -4.884 1.00 1.24 H new ATOM 0 HB2 GLU A 58 10.026 11.399 -5.221 1.00 1.30 H new ATOM 0 HB3 GLU A 58 9.396 13.016 -4.985 1.00 1.30 H new ATOM 0 HG2 GLU A 58 10.468 13.748 -7.128 1.00 2.11 H new ATOM 0 HG3 GLU A 58 11.098 12.130 -7.365 1.00 2.11 H new ATOM 918 N LYS A 59 11.394 11.366 -2.798 1.00 0.87 N ATOM 919 CA LYS A 59 11.265 10.981 -1.404 1.00 0.83 C ATOM 920 C LYS A 59 12.537 11.291 -0.612 1.00 0.76 C ATOM 921 O LYS A 59 12.469 11.558 0.586 1.00 0.87 O ATOM 922 CB LYS A 59 10.914 9.501 -1.393 1.00 0.83 C ATOM 923 CG LYS A 59 10.127 8.987 -0.192 1.00 1.03 C ATOM 924 CD LYS A 59 9.493 7.625 -0.527 1.00 1.04 C ATOM 925 CE LYS A 59 10.426 6.620 -1.202 1.00 0.86 C ATOM 926 NZ LYS A 59 10.597 6.821 -2.661 1.00 1.23 N ATOM 0 H LYS A 59 11.432 10.574 -3.440 1.00 0.87 H new ATOM 0 HA LYS A 59 10.482 11.555 -0.909 1.00 0.83 H new ATOM 0 HB2 LYS A 59 10.340 9.282 -2.293 1.00 0.83 H new ATOM 0 HB3 LYS A 59 11.841 8.932 -1.460 1.00 0.83 H new ATOM 0 HG2 LYS A 59 10.786 8.889 0.671 1.00 1.03 H new ATOM 0 HG3 LYS A 59 9.351 9.703 0.079 1.00 1.03 H new ATOM 0 HD2 LYS A 59 9.114 7.182 0.394 1.00 1.04 H new ATOM 0 HD3 LYS A 59 8.634 7.792 -1.177 1.00 1.04 H new ATOM 0 HE2 LYS A 59 11.404 6.674 -0.724 1.00 0.86 H new ATOM 0 HE3 LYS A 59 10.042 5.615 -1.029 1.00 0.86 H new ATOM 0 HZ1 LYS A 59 11.501 6.406 -2.965 1.00 1.23 H new ATOM 0 HZ2 LYS A 59 9.816 6.359 -3.169 1.00 1.23 H new ATOM 0 HZ3 LYS A 59 10.594 7.839 -2.874 1.00 1.23 H new ATOM 940 N MET A 60 13.701 11.290 -1.265 1.00 0.74 N ATOM 941 CA MET A 60 14.944 11.700 -0.638 1.00 0.77 C ATOM 942 C MET A 60 14.811 13.128 -0.113 1.00 0.83 C ATOM 943 O MET A 60 15.249 13.385 1.001 1.00 0.93 O ATOM 944 CB MET A 60 16.130 11.532 -1.598 1.00 0.85 C ATOM 945 CG MET A 60 17.475 11.784 -0.905 1.00 1.04 C ATOM 946 SD MET A 60 18.937 11.376 -1.897 1.00 1.60 S ATOM 947 CE MET A 60 18.746 12.516 -3.287 1.00 2.98 C ATOM 0 H MET A 60 13.801 11.005 -2.239 1.00 0.74 H new ATOM 0 HA MET A 60 15.148 11.052 0.214 1.00 0.77 H new ATOM 0 HB2 MET A 60 16.120 10.524 -2.013 1.00 0.85 H new ATOM 0 HB3 MET A 60 16.019 12.222 -2.434 1.00 0.85 H new ATOM 0 HG2 MET A 60 17.529 12.835 -0.621 1.00 1.04 H new ATOM 0 HG3 MET A 60 17.506 11.203 0.017 1.00 1.04 H new ATOM 0 HE1 MET A 60 19.633 12.471 -3.919 1.00 2.98 H new ATOM 0 HE2 MET A 60 17.870 12.234 -3.871 1.00 2.98 H new ATOM 0 HE3 MET A 60 18.620 13.531 -2.910 1.00 2.98 H new ATOM 957 N LYS A 61 14.171 14.043 -0.857 1.00 0.85 N ATOM 958 CA LYS A 61 13.899 15.375 -0.304 1.00 0.96 C ATOM 959 C LYS A 61 12.950 15.266 0.889 1.00 0.98 C ATOM 960 O LYS A 61 13.145 15.913 1.917 1.00 1.02 O ATOM 961 CB LYS A 61 13.294 16.338 -1.329 1.00 1.17 C ATOM 962 CG LYS A 61 14.184 16.540 -2.559 1.00 2.15 C ATOM 963 CD LYS A 61 13.404 16.068 -3.783 1.00 1.85 C ATOM 964 CE LYS A 61 14.267 16.139 -5.047 1.00 2.56 C ATOM 965 NZ LYS A 61 13.616 15.474 -6.190 1.00 2.77 N ATOM 0 H LYS A 61 13.842 13.892 -1.811 1.00 0.85 H new ATOM 0 HA LYS A 61 14.863 15.781 0.004 1.00 0.96 H new ATOM 0 HB2 LYS A 61 12.324 15.958 -1.648 1.00 1.17 H new ATOM 0 HB3 LYS A 61 13.117 17.302 -0.853 1.00 1.17 H new ATOM 0 HG2 LYS A 61 14.459 17.590 -2.663 1.00 2.15 H new ATOM 0 HG3 LYS A 61 15.111 15.976 -2.456 1.00 2.15 H new ATOM 0 HD2 LYS A 61 13.063 15.044 -3.628 1.00 1.85 H new ATOM 0 HD3 LYS A 61 12.514 16.684 -3.911 1.00 1.85 H new ATOM 0 HE2 LYS A 61 14.462 17.182 -5.296 1.00 2.56 H new ATOM 0 HE3 LYS A 61 15.232 15.671 -4.855 1.00 2.56 H new ATOM 0 HZ1 LYS A 61 14.293 15.392 -6.975 1.00 2.77 H new ATOM 0 HZ2 LYS A 61 13.300 14.525 -5.905 1.00 2.77 H new ATOM 0 HZ3 LYS A 61 12.796 16.035 -6.497 1.00 2.77 H new ATOM 979 N SER A 62 11.905 14.450 0.728 1.00 1.00 N ATOM 980 CA SER A 62 10.947 14.173 1.799 1.00 1.13 C ATOM 981 C SER A 62 11.652 13.714 3.086 1.00 1.15 C ATOM 982 O SER A 62 11.228 14.095 4.175 1.00 1.33 O ATOM 983 CB SER A 62 9.866 13.184 1.337 1.00 1.20 C ATOM 984 OG SER A 62 8.755 13.202 2.210 1.00 2.35 O ATOM 0 H SER A 62 11.700 13.965 -0.146 1.00 1.00 H new ATOM 0 HA SER A 62 10.439 15.107 2.041 1.00 1.13 H new ATOM 0 HB2 SER A 62 9.543 13.438 0.327 1.00 1.20 H new ATOM 0 HB3 SER A 62 10.283 12.178 1.295 1.00 1.20 H new ATOM 0 HG SER A 62 8.080 12.566 1.894 1.00 2.35 H new ATOM 990 N LEU A 63 12.742 12.941 2.986 1.00 1.08 N ATOM 991 CA LEU A 63 13.607 12.741 4.146 1.00 1.19 C ATOM 992 C LEU A 63 14.327 14.059 4.463 1.00 1.10 C ATOM 993 O LEU A 63 14.122 14.635 5.532 1.00 1.13 O ATOM 994 CB LEU A 63 14.621 11.590 3.937 1.00 1.36 C ATOM 995 CG LEU A 63 14.166 10.177 4.314 1.00 1.79 C ATOM 996 CD1 LEU A 63 13.032 9.709 3.391 1.00 2.01 C ATOM 997 CD2 LEU A 63 15.410 9.284 4.205 1.00 2.69 C ATOM 0 H LEU A 63 13.036 12.458 2.137 1.00 1.08 H new ATOM 0 HA LEU A 63 12.985 12.446 4.991 1.00 1.19 H new ATOM 0 HB2 LEU A 63 14.911 11.582 2.886 1.00 1.36 H new ATOM 0 HB3 LEU A 63 15.517 11.821 4.513 1.00 1.36 H new ATOM 0 HG LEU A 63 13.760 10.137 5.325 1.00 1.79 H new ATOM 0 HD11 LEU A 63 12.723 8.703 3.675 1.00 2.01 H new ATOM 0 HD12 LEU A 63 12.185 10.388 3.483 1.00 2.01 H new ATOM 0 HD13 LEU A 63 13.382 9.703 2.359 1.00 2.01 H new ATOM 0 HD21 LEU A 63 15.146 8.259 4.464 1.00 2.69 H new ATOM 0 HD22 LEU A 63 15.791 9.314 3.184 1.00 2.69 H new ATOM 0 HD23 LEU A 63 16.178 9.644 4.890 1.00 2.69 H new ATOM 1009 N ASP A 64 15.155 14.538 3.532 1.00 1.05 N ATOM 1010 CA ASP A 64 16.124 15.608 3.742 1.00 1.14 C ATOM 1011 C ASP A 64 15.560 16.768 4.560 1.00 1.19 C ATOM 1012 O ASP A 64 16.188 17.230 5.512 1.00 1.34 O ATOM 1013 CB ASP A 64 16.642 16.117 2.396 1.00 1.11 C ATOM 1014 CG ASP A 64 17.728 17.162 2.601 1.00 1.29 C ATOM 1015 OD1 ASP A 64 18.766 16.786 3.185 1.00 2.07 O ATOM 1016 OD2 ASP A 64 17.496 18.310 2.163 1.00 2.10 O ATOM 0 H ASP A 64 15.167 14.176 2.578 1.00 1.05 H new ATOM 0 HA ASP A 64 16.945 15.184 4.319 1.00 1.14 H new ATOM 0 HB2 ASP A 64 17.036 15.284 1.814 1.00 1.11 H new ATOM 0 HB3 ASP A 64 15.820 16.546 1.823 1.00 1.11 H new ATOM 1021 N VAL A 65 14.348 17.202 4.202 1.00 1.13 N ATOM 1022 CA VAL A 65 13.699 18.360 4.802 1.00 1.20 C ATOM 1023 C VAL A 65 13.681 18.292 6.336 1.00 1.26 C ATOM 1024 O VAL A 65 13.991 19.288 6.986 1.00 1.28 O ATOM 1025 CB VAL A 65 12.308 18.585 4.181 1.00 1.24 C ATOM 1026 CG1 VAL A 65 11.331 17.438 4.457 1.00 2.30 C ATOM 1027 CG2 VAL A 65 11.694 19.901 4.670 1.00 2.59 C ATOM 0 H VAL A 65 13.788 16.751 3.479 1.00 1.13 H new ATOM 0 HA VAL A 65 14.296 19.241 4.568 1.00 1.20 H new ATOM 0 HB VAL A 65 12.469 18.628 3.104 1.00 1.24 H new ATOM 0 HG11 VAL A 65 10.370 17.659 3.992 1.00 2.30 H new ATOM 0 HG12 VAL A 65 11.730 16.512 4.043 1.00 2.30 H new ATOM 0 HG13 VAL A 65 11.196 17.326 5.533 1.00 2.30 H new ATOM 0 HG21 VAL A 65 10.712 20.035 4.216 1.00 2.59 H new ATOM 0 HG22 VAL A 65 11.592 19.874 5.755 1.00 2.59 H new ATOM 0 HG23 VAL A 65 12.341 20.732 4.387 1.00 2.59 H new ATOM 1037 N ASN A 66 13.335 17.137 6.920 1.00 1.46 N ATOM 1038 CA ASN A 66 13.414 16.936 8.369 1.00 1.70 C ATOM 1039 C ASN A 66 13.263 15.453 8.723 1.00 1.68 C ATOM 1040 O ASN A 66 12.339 15.046 9.432 1.00 1.79 O ATOM 1041 CB ASN A 66 12.414 17.810 9.155 1.00 2.00 C ATOM 1042 CG ASN A 66 12.903 17.959 10.595 1.00 3.27 C ATOM 1043 OD1 ASN A 66 13.397 19.008 11.000 1.00 3.59 O ATOM 1044 ND2 ASN A 66 12.777 16.881 11.350 1.00 4.89 N ATOM 0 H ASN A 66 12.996 16.324 6.405 1.00 1.46 H new ATOM 0 HA ASN A 66 14.407 17.264 8.677 1.00 1.70 H new ATOM 0 HB2 ASN A 66 12.322 18.790 8.686 1.00 2.00 H new ATOM 0 HB3 ASN A 66 11.424 17.355 9.140 1.00 2.00 H new ATOM 0 HD21 ASN A 66 13.098 16.896 12.318 1.00 4.89 H new ATOM 0 HD22 ASN A 66 12.359 16.034 10.964 1.00 4.89 H new ATOM 1051 N GLN A 67 14.186 14.627 8.232 1.00 1.57 N ATOM 1052 CA GLN A 67 14.076 13.184 8.341 1.00 1.49 C ATOM 1053 C GLN A 67 14.011 12.642 9.768 1.00 1.78 C ATOM 1054 O GLN A 67 13.620 11.491 9.962 1.00 1.94 O ATOM 1055 CB GLN A 67 15.223 12.512 7.601 1.00 1.43 C ATOM 1056 CG GLN A 67 16.595 13.026 8.074 1.00 1.63 C ATOM 1057 CD GLN A 67 17.411 13.524 6.892 1.00 2.48 C ATOM 1058 OE1 GLN A 67 17.824 12.723 6.061 1.00 3.16 O ATOM 1059 NE2 GLN A 67 17.626 14.831 6.808 1.00 3.09 N ATOM 0 H GLN A 67 15.027 14.944 7.750 1.00 1.57 H new ATOM 0 HA GLN A 67 13.115 12.943 7.886 1.00 1.49 H new ATOM 0 HB2 GLN A 67 15.169 11.434 7.751 1.00 1.43 H new ATOM 0 HB3 GLN A 67 15.118 12.691 6.531 1.00 1.43 H new ATOM 0 HG2 GLN A 67 16.460 13.832 8.796 1.00 1.63 H new ATOM 0 HG3 GLN A 67 17.133 12.228 8.585 1.00 1.63 H new ATOM 0 HE21 GLN A 67 17.260 15.455 7.527 1.00 3.09 H new ATOM 0 HE22 GLN A 67 18.157 15.211 6.025 1.00 3.09 H new ATOM 1068 N ASP A 68 14.455 13.447 10.736 1.00 1.89 N ATOM 1069 CA ASP A 68 14.376 13.133 12.154 1.00 2.07 C ATOM 1070 C ASP A 68 12.960 12.709 12.546 1.00 2.26 C ATOM 1071 O ASP A 68 12.772 11.787 13.340 1.00 2.62 O ATOM 1072 CB ASP A 68 14.869 14.342 12.983 1.00 2.02 C ATOM 1073 CG ASP A 68 13.856 14.842 14.016 1.00 1.99 C ATOM 1074 OD1 ASP A 68 12.928 15.574 13.598 1.00 2.58 O ATOM 1075 OD2 ASP A 68 14.032 14.486 15.198 1.00 2.93 O ATOM 0 H ASP A 68 14.887 14.351 10.547 1.00 1.89 H new ATOM 0 HA ASP A 68 15.027 12.285 12.369 1.00 2.07 H new ATOM 0 HB2 ASP A 68 15.790 14.066 13.496 1.00 2.02 H new ATOM 0 HB3 ASP A 68 15.114 15.159 12.305 1.00 2.02 H new ATOM 1080 N SER A 69 11.969 13.408 11.994 1.00 2.10 N ATOM 1081 CA SER A 69 10.597 13.310 12.447 1.00 2.23 C ATOM 1082 C SER A 69 9.973 11.978 12.020 1.00 2.10 C ATOM 1083 O SER A 69 10.680 11.055 11.618 1.00 3.19 O ATOM 1084 CB SER A 69 9.844 14.542 11.941 1.00 2.26 C ATOM 1085 OG SER A 69 10.524 15.716 12.346 1.00 3.53 O ATOM 0 H SER A 69 12.103 14.057 11.219 1.00 2.10 H new ATOM 0 HA SER A 69 10.541 13.306 13.536 1.00 2.23 H new ATOM 0 HB2 SER A 69 9.766 14.512 10.854 1.00 2.26 H new ATOM 0 HB3 SER A 69 8.827 14.545 12.333 1.00 2.26 H new ATOM 0 HG SER A 69 11.293 15.473 12.903 1.00 3.53 H new ATOM 1091 N GLU A 70 8.647 11.871 12.122 1.00 1.20 N ATOM 1092 CA GLU A 70 7.920 10.617 11.968 1.00 1.05 C ATOM 1093 C GLU A 70 6.948 10.690 10.799 1.00 0.89 C ATOM 1094 O GLU A 70 6.555 11.780 10.382 1.00 1.15 O ATOM 1095 CB GLU A 70 7.217 10.261 13.287 1.00 1.21 C ATOM 1096 CG GLU A 70 6.083 11.244 13.607 1.00 1.79 C ATOM 1097 CD GLU A 70 5.614 11.145 15.048 1.00 2.12 C ATOM 1098 OE1 GLU A 70 6.461 11.178 15.967 1.00 3.03 O ATOM 1099 OE2 GLU A 70 4.385 11.034 15.271 1.00 2.65 O ATOM 0 H GLU A 70 8.041 12.668 12.317 1.00 1.20 H new ATOM 0 HA GLU A 70 8.625 9.819 11.737 1.00 1.05 H new ATOM 0 HB2 GLU A 70 6.815 9.250 13.224 1.00 1.21 H new ATOM 0 HB3 GLU A 70 7.943 10.266 14.100 1.00 1.21 H new ATOM 0 HG2 GLU A 70 6.422 12.261 13.408 1.00 1.79 H new ATOM 0 HG3 GLU A 70 5.242 11.052 12.941 1.00 1.79 H new ATOM 1106 N LEU A 71 6.538 9.522 10.302 1.00 0.84 N ATOM 1107 CA LEU A 71 5.447 9.439 9.337 1.00 0.91 C ATOM 1108 C LEU A 71 4.127 9.244 10.091 1.00 1.12 C ATOM 1109 O LEU A 71 4.096 9.070 11.311 1.00 1.34 O ATOM 1110 CB LEU A 71 5.625 8.315 8.297 1.00 1.27 C ATOM 1111 CG LEU A 71 6.928 8.188 7.511 1.00 1.09 C ATOM 1112 CD1 LEU A 71 7.261 9.490 6.788 1.00 2.32 C ATOM 1113 CD2 LEU A 71 8.091 7.661 8.350 1.00 2.43 C ATOM 0 H LEU A 71 6.947 8.622 10.553 1.00 0.84 H new ATOM 0 HA LEU A 71 5.445 10.374 8.777 1.00 0.91 H new ATOM 0 HB2 LEU A 71 5.468 7.369 8.815 1.00 1.27 H new ATOM 0 HB3 LEU A 71 4.819 8.418 7.570 1.00 1.27 H new ATOM 0 HG LEU A 71 6.765 7.425 6.750 1.00 1.09 H new ATOM 0 HD11 LEU A 71 8.194 9.372 6.236 1.00 2.32 H new ATOM 0 HD12 LEU A 71 6.458 9.737 6.094 1.00 2.32 H new ATOM 0 HD13 LEU A 71 7.370 10.293 7.517 1.00 2.32 H new ATOM 0 HD21 LEU A 71 8.986 7.595 7.731 1.00 2.43 H new ATOM 0 HD22 LEU A 71 8.275 8.339 9.183 1.00 2.43 H new ATOM 0 HD23 LEU A 71 7.843 6.672 8.735 1.00 2.43 H new ATOM 1125 N LYS A 72 3.021 9.246 9.348 1.00 1.17 N ATOM 1126 CA LYS A 72 1.746 8.678 9.757 1.00 1.22 C ATOM 1127 C LYS A 72 1.393 7.632 8.704 1.00 1.06 C ATOM 1128 O LYS A 72 1.925 7.679 7.593 1.00 0.95 O ATOM 1129 CB LYS A 72 0.654 9.758 9.871 1.00 1.30 C ATOM 1130 CG LYS A 72 0.596 10.415 11.258 1.00 1.37 C ATOM 1131 CD LYS A 72 1.727 11.427 11.513 1.00 1.59 C ATOM 1132 CE LYS A 72 2.205 11.441 12.973 1.00 2.23 C ATOM 1133 NZ LYS A 72 2.741 10.139 13.426 1.00 3.52 N ATOM 0 H LYS A 72 2.991 9.657 8.415 1.00 1.17 H new ATOM 0 HA LYS A 72 1.816 8.229 10.748 1.00 1.22 H new ATOM 0 HB2 LYS A 72 0.832 10.527 9.119 1.00 1.30 H new ATOM 0 HB3 LYS A 72 -0.315 9.311 9.647 1.00 1.30 H new ATOM 0 HG2 LYS A 72 -0.363 10.920 11.371 1.00 1.37 H new ATOM 0 HG3 LYS A 72 0.638 9.637 12.020 1.00 1.37 H new ATOM 0 HD2 LYS A 72 2.570 11.192 10.863 1.00 1.59 H new ATOM 0 HD3 LYS A 72 1.382 12.424 11.240 1.00 1.59 H new ATOM 0 HE2 LYS A 72 2.976 12.203 13.088 1.00 2.23 H new ATOM 0 HE3 LYS A 72 1.374 11.728 13.617 1.00 2.23 H new ATOM 0 HZ1 LYS A 72 3.446 10.295 14.175 1.00 3.52 H new ATOM 0 HZ2 LYS A 72 1.965 9.554 13.797 1.00 3.52 H new ATOM 0 HZ3 LYS A 72 3.190 9.651 12.625 1.00 3.52 H new ATOM 1147 N PHE A 73 0.531 6.676 9.057 1.00 1.09 N ATOM 1148 CA PHE A 73 0.191 5.525 8.226 1.00 1.03 C ATOM 1149 C PHE A 73 -0.143 5.917 6.783 1.00 0.83 C ATOM 1150 O PHE A 73 0.291 5.249 5.850 1.00 0.75 O ATOM 1151 CB PHE A 73 -0.924 4.687 8.876 1.00 1.20 C ATOM 1152 CG PHE A 73 -1.952 5.467 9.676 1.00 1.43 C ATOM 1153 CD1 PHE A 73 -2.983 6.176 9.027 1.00 2.44 C ATOM 1154 CD2 PHE A 73 -1.824 5.550 11.075 1.00 2.64 C ATOM 1155 CE1 PHE A 73 -3.831 7.015 9.771 1.00 3.08 C ATOM 1156 CE2 PHE A 73 -2.662 6.403 11.813 1.00 3.15 C ATOM 1157 CZ PHE A 73 -3.655 7.148 11.158 1.00 2.94 C ATOM 0 H PHE A 73 0.040 6.683 9.951 1.00 1.09 H new ATOM 0 HA PHE A 73 1.081 4.898 8.164 1.00 1.03 H new ATOM 0 HB2 PHE A 73 -1.443 4.136 8.092 1.00 1.20 H new ATOM 0 HB3 PHE A 73 -0.463 3.949 9.533 1.00 1.20 H new ATOM 0 HD1 PHE A 73 -3.121 6.075 7.961 1.00 2.44 H new ATOM 0 HD2 PHE A 73 -1.079 4.956 11.583 1.00 2.64 H new ATOM 0 HE1 PHE A 73 -4.621 7.559 9.274 1.00 3.08 H new ATOM 0 HE2 PHE A 73 -2.542 6.485 12.883 1.00 3.15 H new ATOM 0 HZ PHE A 73 -4.283 7.823 11.720 1.00 2.94 H new ATOM 1167 N ASN A 74 -0.887 7.007 6.588 1.00 0.84 N ATOM 1168 CA ASN A 74 -1.239 7.507 5.260 1.00 0.78 C ATOM 1169 C ASN A 74 -0.007 7.989 4.484 1.00 0.70 C ATOM 1170 O ASN A 74 0.080 7.782 3.274 1.00 0.74 O ATOM 1171 CB ASN A 74 -2.272 8.630 5.377 1.00 0.92 C ATOM 1172 CG ASN A 74 -1.703 9.840 6.110 1.00 1.95 C ATOM 1173 OD1 ASN A 74 -1.332 9.729 7.275 1.00 2.93 O ATOM 1174 ND2 ASN A 74 -1.604 10.987 5.445 1.00 3.01 N ATOM 0 H ASN A 74 -1.264 7.570 7.351 1.00 0.84 H new ATOM 0 HA ASN A 74 -1.672 6.679 4.699 1.00 0.78 H new ATOM 0 HB2 ASN A 74 -2.601 8.928 4.381 1.00 0.92 H new ATOM 0 HB3 ASN A 74 -3.151 8.263 5.907 1.00 0.92 H new ATOM 0 HD21 ASN A 74 -1.210 11.809 5.902 1.00 3.01 H new ATOM 0 HD22 ASN A 74 -1.922 11.045 4.478 1.00 3.01 H new ATOM 1181 N GLU A 75 0.935 8.643 5.167 1.00 0.67 N ATOM 1182 CA GLU A 75 2.129 9.194 4.540 1.00 0.68 C ATOM 1183 C GLU A 75 3.062 8.040 4.178 1.00 0.63 C ATOM 1184 O GLU A 75 3.486 7.907 3.029 1.00 0.59 O ATOM 1185 CB GLU A 75 2.781 10.217 5.484 1.00 0.84 C ATOM 1186 CG GLU A 75 3.975 10.945 4.853 1.00 1.82 C ATOM 1187 CD GLU A 75 3.560 11.786 3.659 1.00 2.92 C ATOM 1188 OE1 GLU A 75 3.465 11.236 2.545 1.00 4.17 O ATOM 1189 OE2 GLU A 75 3.279 12.989 3.832 1.00 3.65 O ATOM 0 H GLU A 75 0.887 8.804 6.173 1.00 0.67 H new ATOM 0 HA GLU A 75 1.884 9.727 3.621 1.00 0.68 H new ATOM 0 HB2 GLU A 75 2.034 10.951 5.786 1.00 0.84 H new ATOM 0 HB3 GLU A 75 3.111 9.708 6.389 1.00 0.84 H new ATOM 0 HG2 GLU A 75 4.447 11.583 5.600 1.00 1.82 H new ATOM 0 HG3 GLU A 75 4.721 10.215 4.541 1.00 1.82 H new ATOM 1196 N TYR A 76 3.309 7.156 5.156 1.00 0.68 N ATOM 1197 CA TYR A 76 3.909 5.849 4.919 1.00 0.67 C ATOM 1198 C TYR A 76 3.306 5.256 3.647 1.00 0.67 C ATOM 1199 O TYR A 76 4.036 4.850 2.747 1.00 0.64 O ATOM 1200 CB TYR A 76 3.683 4.937 6.139 1.00 0.78 C ATOM 1201 CG TYR A 76 3.866 3.452 5.874 1.00 0.90 C ATOM 1202 CD1 TYR A 76 2.836 2.710 5.260 1.00 2.30 C ATOM 1203 CD2 TYR A 76 5.060 2.806 6.233 1.00 1.88 C ATOM 1204 CE1 TYR A 76 3.061 1.384 4.863 1.00 2.52 C ATOM 1205 CE2 TYR A 76 5.251 1.449 5.912 1.00 1.87 C ATOM 1206 CZ TYR A 76 4.263 0.748 5.198 1.00 1.36 C ATOM 1207 OH TYR A 76 4.489 -0.529 4.785 1.00 1.70 O ATOM 0 H TYR A 76 3.094 7.336 6.137 1.00 0.68 H new ATOM 0 HA TYR A 76 4.986 5.944 4.781 1.00 0.67 H new ATOM 0 HB2 TYR A 76 4.370 5.237 6.930 1.00 0.78 H new ATOM 0 HB3 TYR A 76 2.673 5.102 6.515 1.00 0.78 H new ATOM 0 HD1 TYR A 76 1.870 3.165 5.095 1.00 2.30 H new ATOM 0 HD2 TYR A 76 5.832 3.351 6.756 1.00 1.88 H new ATOM 0 HE1 TYR A 76 2.308 0.854 4.299 1.00 2.52 H new ATOM 0 HE2 TYR A 76 6.157 0.946 6.214 1.00 1.87 H new ATOM 0 HH TYR A 76 5.289 -0.553 4.220 1.00 1.70 H new ATOM 1217 N TRP A 77 1.971 5.236 3.565 1.00 0.74 N ATOM 1218 CA TRP A 77 1.275 4.739 2.400 1.00 0.78 C ATOM 1219 C TRP A 77 1.810 5.362 1.112 1.00 0.79 C ATOM 1220 O TRP A 77 2.421 4.651 0.319 1.00 0.78 O ATOM 1221 CB TRP A 77 -0.234 4.918 2.553 1.00 0.81 C ATOM 1222 CG TRP A 77 -0.955 3.689 2.188 1.00 0.83 C ATOM 1223 CD1 TRP A 77 -1.277 3.373 0.929 1.00 0.83 C ATOM 1224 CD2 TRP A 77 -1.481 2.632 3.030 1.00 0.84 C ATOM 1225 NE1 TRP A 77 -1.898 2.156 0.912 1.00 0.85 N ATOM 1226 CE2 TRP A 77 -2.117 1.680 2.184 1.00 0.86 C ATOM 1227 CE3 TRP A 77 -1.568 2.418 4.417 1.00 0.84 C ATOM 1228 CZ2 TRP A 77 -2.812 0.577 2.686 1.00 0.89 C ATOM 1229 CZ3 TRP A 77 -2.282 1.317 4.916 1.00 0.87 C ATOM 1230 CH2 TRP A 77 -2.861 0.381 4.065 1.00 0.89 C ATOM 0 H TRP A 77 1.355 5.565 4.308 1.00 0.74 H new ATOM 0 HA TRP A 77 1.467 3.669 2.322 1.00 0.78 H new ATOM 0 HB2 TRP A 77 -0.468 5.188 3.583 1.00 0.81 H new ATOM 0 HB3 TRP A 77 -0.571 5.741 1.923 1.00 0.81 H new ATOM 0 HD1 TRP A 77 -1.077 3.984 0.061 1.00 0.83 H new ATOM 0 HE1 TRP A 77 -2.166 1.661 0.061 1.00 0.85 H new ATOM 0 HE3 TRP A 77 -1.085 3.102 5.099 1.00 0.84 H new ATOM 0 HZ2 TRP A 77 -3.304 -0.113 2.016 1.00 0.89 H new ATOM 0 HZ3 TRP A 77 -2.384 1.194 5.984 1.00 0.87 H new ATOM 0 HH2 TRP A 77 -3.346 -0.494 4.471 1.00 0.89 H new ATOM 1241 N ARG A 78 1.598 6.667 0.903 1.00 0.85 N ATOM 1242 CA ARG A 78 2.150 7.381 -0.249 1.00 0.90 C ATOM 1243 C ARG A 78 3.582 6.915 -0.563 1.00 0.69 C ATOM 1244 O ARG A 78 3.857 6.453 -1.670 1.00 0.68 O ATOM 1245 CB ARG A 78 2.151 8.904 -0.022 1.00 1.14 C ATOM 1246 CG ARG A 78 0.800 9.465 0.438 1.00 1.38 C ATOM 1247 CD ARG A 78 0.643 10.938 0.040 1.00 1.78 C ATOM 1248 NE ARG A 78 1.612 11.792 0.749 1.00 2.20 N ATOM 1249 CZ ARG A 78 1.754 13.117 0.600 1.00 2.94 C ATOM 1250 NH1 ARG A 78 1.072 13.750 -0.360 1.00 3.62 N ATOM 1251 NH2 ARG A 78 2.557 13.811 1.408 1.00 3.70 N ATOM 0 H ARG A 78 1.042 7.253 1.526 1.00 0.85 H new ATOM 0 HA ARG A 78 1.506 7.151 -1.098 1.00 0.90 H new ATOM 0 HB2 ARG A 78 2.908 9.150 0.723 1.00 1.14 H new ATOM 0 HB3 ARG A 78 2.443 9.399 -0.948 1.00 1.14 H new ATOM 0 HG2 ARG A 78 -0.008 8.879 -0.001 1.00 1.38 H new ATOM 0 HG3 ARG A 78 0.713 9.367 1.520 1.00 1.38 H new ATOM 0 HD2 ARG A 78 0.782 11.043 -1.036 1.00 1.78 H new ATOM 0 HD3 ARG A 78 -0.370 11.271 0.264 1.00 1.78 H new ATOM 0 HE ARG A 78 2.233 11.332 1.415 1.00 2.20 H new ATOM 0 HH11 ARG A 78 0.448 13.225 -0.973 1.00 3.62 H new ATOM 0 HH12 ARG A 78 1.175 14.758 -0.479 1.00 3.62 H new ATOM 0 HH21 ARG A 78 3.071 13.334 2.149 1.00 3.70 H new ATOM 0 HH22 ARG A 78 2.657 14.819 1.285 1.00 3.70 H new ATOM 1265 N LEU A 79 4.475 6.991 0.429 1.00 0.64 N ATOM 1266 CA LEU A 79 5.881 6.646 0.258 1.00 0.57 C ATOM 1267 C LEU A 79 6.060 5.209 -0.253 1.00 0.59 C ATOM 1268 O LEU A 79 6.842 4.980 -1.177 1.00 0.60 O ATOM 1269 CB LEU A 79 6.649 6.855 1.573 1.00 0.59 C ATOM 1270 CG LEU A 79 7.006 8.313 1.950 1.00 0.72 C ATOM 1271 CD1 LEU A 79 6.088 9.405 1.386 1.00 0.73 C ATOM 1272 CD2 LEU A 79 7.057 8.451 3.475 1.00 1.01 C ATOM 0 H LEU A 79 4.238 7.295 1.373 1.00 0.64 H new ATOM 0 HA LEU A 79 6.293 7.313 -0.500 1.00 0.57 H new ATOM 0 HB2 LEU A 79 6.057 6.430 2.383 1.00 0.59 H new ATOM 0 HB3 LEU A 79 7.575 6.282 1.520 1.00 0.59 H new ATOM 0 HG LEU A 79 7.976 8.484 1.482 1.00 0.72 H new ATOM 0 HD11 LEU A 79 6.438 10.382 1.718 1.00 0.73 H new ATOM 0 HD12 LEU A 79 6.102 9.365 0.297 1.00 0.73 H new ATOM 0 HD13 LEU A 79 5.070 9.244 1.742 1.00 0.73 H new ATOM 0 HD21 LEU A 79 7.309 9.478 3.739 1.00 1.01 H new ATOM 0 HD22 LEU A 79 6.085 8.196 3.896 1.00 1.01 H new ATOM 0 HD23 LEU A 79 7.814 7.777 3.876 1.00 1.01 H new ATOM 1284 N ILE A 80 5.376 4.218 0.330 1.00 0.66 N ATOM 1285 CA ILE A 80 5.547 2.848 -0.153 1.00 0.75 C ATOM 1286 C ILE A 80 4.903 2.661 -1.534 1.00 0.76 C ATOM 1287 O ILE A 80 5.377 1.889 -2.370 1.00 0.81 O ATOM 1288 CB ILE A 80 5.153 1.771 0.869 1.00 0.87 C ATOM 1289 CG1 ILE A 80 3.650 1.633 1.150 1.00 1.26 C ATOM 1290 CG2 ILE A 80 5.878 2.017 2.186 1.00 0.66 C ATOM 1291 CD1 ILE A 80 3.227 0.159 1.100 1.00 0.78 C ATOM 0 H ILE A 80 4.724 4.332 1.106 1.00 0.66 H new ATOM 0 HA ILE A 80 6.618 2.694 -0.283 1.00 0.75 H new ATOM 0 HB ILE A 80 5.453 0.832 0.404 1.00 0.87 H new ATOM 0 HG12 ILE A 80 3.417 2.051 2.129 1.00 1.26 H new ATOM 0 HG13 ILE A 80 3.083 2.205 0.416 1.00 1.26 H new ATOM 0 HG21 ILE A 80 5.594 1.250 2.906 1.00 0.66 H new ATOM 0 HG22 ILE A 80 6.955 1.979 2.021 1.00 0.66 H new ATOM 0 HG23 ILE A 80 5.604 2.998 2.574 1.00 0.66 H new ATOM 0 HD11 ILE A 80 2.159 0.080 1.301 1.00 0.78 H new ATOM 0 HD12 ILE A 80 3.441 -0.248 0.112 1.00 0.78 H new ATOM 0 HD13 ILE A 80 3.781 -0.404 1.851 1.00 0.78 H new ATOM 1303 N GLY A 81 3.844 3.423 -1.800 1.00 0.75 N ATOM 1304 CA GLY A 81 3.323 3.623 -3.142 1.00 0.75 C ATOM 1305 C GLY A 81 4.409 4.042 -4.123 1.00 0.71 C ATOM 1306 O GLY A 81 4.494 3.485 -5.218 1.00 0.80 O ATOM 0 H GLY A 81 3.322 3.922 -1.080 1.00 0.75 H new ATOM 0 HA2 GLY A 81 2.857 2.701 -3.490 1.00 0.75 H new ATOM 0 HA3 GLY A 81 2.544 4.385 -3.118 1.00 0.75 H new ATOM 1310 N GLU A 82 5.245 5.011 -3.746 1.00 0.64 N ATOM 1311 CA GLU A 82 6.389 5.365 -4.567 1.00 0.60 C ATOM 1312 C GLU A 82 7.288 4.135 -4.756 1.00 0.67 C ATOM 1313 O GLU A 82 7.564 3.762 -5.898 1.00 0.83 O ATOM 1314 CB GLU A 82 7.128 6.565 -3.977 1.00 0.59 C ATOM 1315 CG GLU A 82 6.252 7.814 -3.844 1.00 0.92 C ATOM 1316 CD GLU A 82 7.036 8.913 -3.149 1.00 1.94 C ATOM 1317 OE1 GLU A 82 8.265 8.935 -3.379 1.00 3.06 O ATOM 1318 OE2 GLU A 82 6.418 9.663 -2.369 1.00 2.73 O ATOM 0 H GLU A 82 5.148 5.554 -2.888 1.00 0.64 H new ATOM 0 HA GLU A 82 6.053 5.675 -5.556 1.00 0.60 H new ATOM 0 HB2 GLU A 82 7.516 6.296 -2.994 1.00 0.59 H new ATOM 0 HB3 GLU A 82 7.987 6.798 -4.606 1.00 0.59 H new ATOM 0 HG2 GLU A 82 5.929 8.151 -4.829 1.00 0.92 H new ATOM 0 HG3 GLU A 82 5.352 7.580 -3.276 1.00 0.92 H new ATOM 1325 N LEU A 83 7.668 3.458 -3.657 1.00 0.64 N ATOM 1326 CA LEU A 83 8.432 2.206 -3.727 1.00 0.81 C ATOM 1327 C LEU A 83 7.909 1.277 -4.823 1.00 0.85 C ATOM 1328 O LEU A 83 8.687 0.863 -5.682 1.00 0.90 O ATOM 1329 CB LEU A 83 8.501 1.459 -2.389 1.00 0.99 C ATOM 1330 CG LEU A 83 9.846 1.640 -1.678 1.00 1.16 C ATOM 1331 CD1 LEU A 83 10.145 3.106 -1.369 1.00 2.89 C ATOM 1332 CD2 LEU A 83 9.804 0.875 -0.357 1.00 2.24 C ATOM 0 H LEU A 83 7.455 3.762 -2.707 1.00 0.64 H new ATOM 0 HA LEU A 83 9.449 2.507 -3.980 1.00 0.81 H new ATOM 0 HB2 LEU A 83 7.701 1.813 -1.739 1.00 0.99 H new ATOM 0 HB3 LEU A 83 8.326 0.397 -2.561 1.00 0.99 H new ATOM 0 HG LEU A 83 10.626 1.266 -2.341 1.00 1.16 H new ATOM 0 HD11 LEU A 83 11.109 3.182 -0.865 1.00 2.89 H new ATOM 0 HD12 LEU A 83 10.175 3.675 -2.298 1.00 2.89 H new ATOM 0 HD13 LEU A 83 9.365 3.508 -0.723 1.00 2.89 H new ATOM 0 HD21 LEU A 83 10.755 0.993 0.162 1.00 2.24 H new ATOM 0 HD22 LEU A 83 8.999 1.267 0.265 1.00 2.24 H new ATOM 0 HD23 LEU A 83 9.628 -0.182 -0.554 1.00 2.24 H new ATOM 1344 N ALA A 84 6.606 0.968 -4.813 1.00 0.88 N ATOM 1345 CA ALA A 84 5.995 0.111 -5.824 1.00 1.02 C ATOM 1346 C ALA A 84 6.424 0.458 -7.260 1.00 0.95 C ATOM 1347 O ALA A 84 6.727 -0.445 -8.038 1.00 1.09 O ATOM 1348 CB ALA A 84 4.471 0.155 -5.686 1.00 1.06 C ATOM 0 H ALA A 84 5.953 1.305 -4.106 1.00 0.88 H new ATOM 0 HA ALA A 84 6.354 -0.902 -5.643 1.00 1.02 H new ATOM 0 HB1 ALA A 84 4.019 -0.486 -6.443 1.00 1.06 H new ATOM 0 HB2 ALA A 84 4.185 -0.196 -4.695 1.00 1.06 H new ATOM 0 HB3 ALA A 84 4.123 1.179 -5.823 1.00 1.06 H new ATOM 1354 N LYS A 85 6.428 1.746 -7.629 1.00 0.82 N ATOM 1355 CA LYS A 85 6.861 2.173 -8.963 1.00 0.90 C ATOM 1356 C LYS A 85 8.387 2.280 -9.093 1.00 0.89 C ATOM 1357 O LYS A 85 8.925 2.097 -10.182 1.00 0.96 O ATOM 1358 CB LYS A 85 6.090 3.414 -9.449 1.00 1.19 C ATOM 1359 CG LYS A 85 6.094 4.665 -8.557 1.00 1.63 C ATOM 1360 CD LYS A 85 7.381 5.502 -8.554 1.00 1.95 C ATOM 1361 CE LYS A 85 7.659 6.130 -9.927 1.00 2.35 C ATOM 1362 NZ LYS A 85 8.887 6.949 -9.919 1.00 3.14 N ATOM 0 H LYS A 85 6.135 2.510 -7.020 1.00 0.82 H new ATOM 0 HA LYS A 85 6.591 1.377 -9.657 1.00 0.90 H new ATOM 0 HB2 LYS A 85 6.493 3.697 -10.421 1.00 1.19 H new ATOM 0 HB3 LYS A 85 5.052 3.121 -9.607 1.00 1.19 H new ATOM 0 HG2 LYS A 85 5.270 5.308 -8.868 1.00 1.63 H new ATOM 0 HG3 LYS A 85 5.887 4.354 -7.533 1.00 1.63 H new ATOM 0 HD2 LYS A 85 7.300 6.289 -7.804 1.00 1.95 H new ATOM 0 HD3 LYS A 85 8.223 4.872 -8.266 1.00 1.95 H new ATOM 0 HE2 LYS A 85 7.753 5.342 -10.674 1.00 2.35 H new ATOM 0 HE3 LYS A 85 6.812 6.749 -10.221 1.00 2.35 H new ATOM 0 HZ1 LYS A 85 8.976 7.450 -10.826 1.00 3.14 H new ATOM 0 HZ2 LYS A 85 8.837 7.642 -9.145 1.00 3.14 H new ATOM 0 HZ3 LYS A 85 9.714 6.334 -9.780 1.00 3.14 H new ATOM 1376 N GLU A 86 9.077 2.599 -7.996 1.00 0.89 N ATOM 1377 CA GLU A 86 10.533 2.664 -7.903 1.00 0.94 C ATOM 1378 C GLU A 86 11.125 1.297 -8.234 1.00 0.99 C ATOM 1379 O GLU A 86 11.714 1.116 -9.298 1.00 1.07 O ATOM 1380 CB GLU A 86 10.911 3.132 -6.490 1.00 1.01 C ATOM 1381 CG GLU A 86 11.276 4.614 -6.419 1.00 0.92 C ATOM 1382 CD GLU A 86 11.045 5.130 -5.011 1.00 1.23 C ATOM 1383 OE1 GLU A 86 9.900 5.529 -4.725 1.00 2.07 O ATOM 1384 OE2 GLU A 86 11.993 5.192 -4.199 1.00 2.05 O ATOM 0 H GLU A 86 8.617 2.828 -7.115 1.00 0.89 H new ATOM 0 HA GLU A 86 10.940 3.377 -8.620 1.00 0.94 H new ATOM 0 HB2 GLU A 86 10.077 2.938 -5.816 1.00 1.01 H new ATOM 0 HB3 GLU A 86 11.754 2.540 -6.133 1.00 1.01 H new ATOM 0 HG2 GLU A 86 12.319 4.756 -6.702 1.00 0.92 H new ATOM 0 HG3 GLU A 86 10.673 5.181 -7.128 1.00 0.92 H new ATOM 1391 N ILE A 87 10.933 0.316 -7.352 1.00 1.02 N ATOM 1392 CA ILE A 87 11.462 -1.022 -7.505 1.00 1.16 C ATOM 1393 C ILE A 87 10.531 -1.756 -8.467 1.00 1.05 C ATOM 1394 O ILE A 87 9.635 -2.501 -8.081 1.00 1.03 O ATOM 1395 CB ILE A 87 11.637 -1.706 -6.129 1.00 1.40 C ATOM 1396 CG1 ILE A 87 12.082 -3.177 -6.219 1.00 1.90 C ATOM 1397 CG2 ILE A 87 10.394 -1.616 -5.231 1.00 1.69 C ATOM 1398 CD1 ILE A 87 13.342 -3.384 -7.054 1.00 1.69 C ATOM 0 H ILE A 87 10.393 0.441 -6.496 1.00 1.02 H new ATOM 0 HA ILE A 87 12.466 -1.024 -7.930 1.00 1.16 H new ATOM 0 HB ILE A 87 12.439 -1.130 -5.668 1.00 1.40 H new ATOM 0 HG12 ILE A 87 12.257 -3.557 -5.213 1.00 1.90 H new ATOM 0 HG13 ILE A 87 11.272 -3.767 -6.647 1.00 1.90 H new ATOM 0 HG21 ILE A 87 10.592 -2.118 -4.284 1.00 1.69 H new ATOM 0 HG22 ILE A 87 10.155 -0.569 -5.044 1.00 1.69 H new ATOM 0 HG23 ILE A 87 9.551 -2.097 -5.727 1.00 1.69 H new ATOM 0 HD11 ILE A 87 13.596 -4.444 -7.073 1.00 1.69 H new ATOM 0 HD12 ILE A 87 13.166 -3.035 -8.071 1.00 1.69 H new ATOM 0 HD13 ILE A 87 14.166 -2.821 -6.615 1.00 1.69 H new ATOM 1410 N ARG A 88 10.792 -1.559 -9.761 1.00 1.08 N ATOM 1411 CA ARG A 88 9.960 -2.083 -10.832 1.00 1.05 C ATOM 1412 C ARG A 88 10.324 -3.560 -11.035 1.00 1.01 C ATOM 1413 O ARG A 88 10.931 -3.946 -12.035 1.00 1.16 O ATOM 1414 CB ARG A 88 10.189 -1.228 -12.091 1.00 1.30 C ATOM 1415 CG ARG A 88 9.138 -1.505 -13.174 1.00 1.78 C ATOM 1416 CD ARG A 88 9.430 -0.703 -14.447 1.00 1.84 C ATOM 1417 NE ARG A 88 10.616 -1.223 -15.148 1.00 3.27 N ATOM 1418 CZ ARG A 88 11.127 -0.707 -16.280 1.00 3.89 C ATOM 1419 NH1 ARG A 88 10.579 0.387 -16.819 1.00 3.08 N ATOM 1420 NH2 ARG A 88 12.180 -1.287 -16.866 1.00 5.78 N ATOM 0 H ARG A 88 11.596 -1.025 -10.092 1.00 1.08 H new ATOM 0 HA ARG A 88 8.897 -2.031 -10.595 1.00 1.05 H new ATOM 0 HB2 ARG A 88 10.162 -0.172 -11.822 1.00 1.30 H new ATOM 0 HB3 ARG A 88 11.183 -1.430 -12.490 1.00 1.30 H new ATOM 0 HG2 ARG A 88 9.124 -2.570 -13.407 1.00 1.78 H new ATOM 0 HG3 ARG A 88 8.148 -1.248 -12.798 1.00 1.78 H new ATOM 0 HD2 ARG A 88 8.566 -0.743 -15.111 1.00 1.84 H new ATOM 0 HD3 ARG A 88 9.587 0.345 -14.191 1.00 1.84 H new ATOM 0 HE ARG A 88 11.085 -2.035 -14.745 1.00 3.27 H new ATOM 0 HH11 ARG A 88 9.775 0.828 -16.372 1.00 3.08 H new ATOM 0 HH12 ARG A 88 10.965 0.780 -17.677 1.00 3.08 H new ATOM 0 HH21 ARG A 88 12.597 -2.122 -16.454 1.00 5.78 H new ATOM 0 HH22 ARG A 88 12.566 -0.894 -17.724 1.00 5.78 H new ATOM 1434 N LYS A 89 9.951 -4.366 -10.039 1.00 1.06 N ATOM 1435 CA LYS A 89 10.189 -5.795 -9.889 1.00 1.16 C ATOM 1436 C LYS A 89 9.378 -6.604 -10.910 1.00 1.46 C ATOM 1437 O LYS A 89 8.524 -7.411 -10.553 1.00 2.57 O ATOM 1438 CB LYS A 89 9.889 -6.176 -8.424 1.00 1.75 C ATOM 1439 CG LYS A 89 8.450 -5.853 -7.969 1.00 1.00 C ATOM 1440 CD LYS A 89 8.351 -5.141 -6.604 1.00 1.69 C ATOM 1441 CE LYS A 89 8.270 -6.084 -5.393 1.00 2.40 C ATOM 1442 NZ LYS A 89 9.502 -6.858 -5.134 1.00 3.67 N ATOM 0 H LYS A 89 9.427 -3.996 -9.246 1.00 1.06 H new ATOM 0 HA LYS A 89 11.230 -6.038 -10.102 1.00 1.16 H new ATOM 0 HB2 LYS A 89 10.068 -7.243 -8.294 1.00 1.75 H new ATOM 0 HB3 LYS A 89 10.590 -5.653 -7.773 1.00 1.75 H new ATOM 0 HG2 LYS A 89 7.976 -5.227 -8.725 1.00 1.00 H new ATOM 0 HG3 LYS A 89 7.881 -6.782 -7.921 1.00 1.00 H new ATOM 0 HD2 LYS A 89 9.218 -4.492 -6.484 1.00 1.69 H new ATOM 0 HD3 LYS A 89 7.470 -4.499 -6.607 1.00 1.69 H new ATOM 0 HE2 LYS A 89 8.032 -5.496 -4.506 1.00 2.40 H new ATOM 0 HE3 LYS A 89 7.445 -6.779 -5.545 1.00 2.40 H new ATOM 0 HZ1 LYS A 89 9.250 -7.801 -4.775 1.00 3.67 H new ATOM 0 HZ2 LYS A 89 10.042 -6.956 -6.017 1.00 3.67 H new ATOM 0 HZ3 LYS A 89 10.081 -6.362 -4.427 1.00 3.67 H new ATOM 1456 N LYS A 90 9.640 -6.360 -12.196 1.00 1.64 N ATOM 1457 CA LYS A 90 8.850 -6.842 -13.317 1.00 2.23 C ATOM 1458 C LYS A 90 9.674 -7.830 -14.147 1.00 2.14 C ATOM 1459 O LYS A 90 9.898 -7.591 -15.333 1.00 3.35 O ATOM 1460 CB LYS A 90 8.399 -5.605 -14.120 1.00 4.15 C ATOM 1461 CG LYS A 90 7.458 -5.926 -15.295 1.00 5.14 C ATOM 1462 CD LYS A 90 6.242 -4.986 -15.356 1.00 7.37 C ATOM 1463 CE LYS A 90 5.208 -5.319 -14.266 1.00 8.78 C ATOM 1464 NZ LYS A 90 4.045 -4.398 -14.288 1.00 10.53 N ATOM 0 H LYS A 90 10.440 -5.799 -12.490 1.00 1.64 H new ATOM 0 HA LYS A 90 7.966 -7.389 -12.990 1.00 2.23 H new ATOM 0 HB2 LYS A 90 7.897 -4.911 -13.446 1.00 4.15 H new ATOM 0 HB3 LYS A 90 9.281 -5.094 -14.505 1.00 4.15 H new ATOM 0 HG2 LYS A 90 8.014 -5.855 -16.230 1.00 5.14 H new ATOM 0 HG3 LYS A 90 7.112 -6.956 -15.207 1.00 5.14 H new ATOM 0 HD2 LYS A 90 6.574 -3.954 -15.239 1.00 7.37 H new ATOM 0 HD3 LYS A 90 5.773 -5.061 -16.337 1.00 7.37 H new ATOM 0 HE2 LYS A 90 4.859 -6.343 -14.401 1.00 8.78 H new ATOM 0 HE3 LYS A 90 5.687 -5.271 -13.288 1.00 8.78 H new ATOM 0 HZ1 LYS A 90 3.378 -4.663 -13.536 1.00 10.53 H new ATOM 0 HZ2 LYS A 90 4.371 -3.423 -14.133 1.00 10.53 H new ATOM 0 HZ3 LYS A 90 3.570 -4.461 -15.211 1.00 10.53 H new ATOM 1478 N LYS A 91 10.122 -8.940 -13.540 1.00 2.01 N ATOM 1479 CA LYS A 91 10.840 -9.981 -14.273 1.00 3.50 C ATOM 1480 C LYS A 91 10.674 -11.362 -13.614 1.00 3.60 C ATOM 1481 O LYS A 91 10.095 -12.248 -14.239 1.00 4.80 O ATOM 1482 CB LYS A 91 12.303 -9.533 -14.481 1.00 4.86 C ATOM 1483 CG LYS A 91 13.110 -10.366 -15.495 1.00 5.91 C ATOM 1484 CD LYS A 91 13.852 -11.486 -14.765 1.00 6.60 C ATOM 1485 CE LYS A 91 14.761 -12.353 -15.640 1.00 7.85 C ATOM 1486 NZ LYS A 91 15.609 -13.225 -14.796 1.00 8.74 N ATOM 0 H LYS A 91 9.998 -9.135 -12.546 1.00 2.01 H new ATOM 0 HA LYS A 91 10.406 -10.112 -15.264 1.00 3.50 H new ATOM 0 HB2 LYS A 91 12.304 -8.493 -14.808 1.00 4.86 H new ATOM 0 HB3 LYS A 91 12.816 -9.566 -13.520 1.00 4.86 H new ATOM 0 HG2 LYS A 91 12.443 -10.788 -16.247 1.00 5.91 H new ATOM 0 HG3 LYS A 91 13.820 -9.728 -16.021 1.00 5.91 H new ATOM 0 HD2 LYS A 91 14.455 -11.043 -13.973 1.00 6.60 H new ATOM 0 HD3 LYS A 91 13.117 -12.131 -14.283 1.00 6.60 H new ATOM 0 HE2 LYS A 91 14.157 -12.962 -16.312 1.00 7.85 H new ATOM 0 HE3 LYS A 91 15.389 -11.718 -16.264 1.00 7.85 H new ATOM 0 HZ1 LYS A 91 15.792 -14.119 -15.295 1.00 8.74 H new ATOM 0 HZ2 LYS A 91 16.511 -12.747 -14.600 1.00 8.74 H new ATOM 0 HZ3 LYS A 91 15.120 -13.423 -13.900 1.00 8.74 H new ATOM 1500 N ASP A 92 11.137 -11.561 -12.372 1.00 2.76 N ATOM 1501 CA ASP A 92 11.171 -12.874 -11.715 1.00 3.03 C ATOM 1502 C ASP A 92 11.071 -12.730 -10.187 1.00 2.14 C ATOM 1503 O ASP A 92 12.066 -12.751 -9.470 1.00 2.13 O ATOM 1504 CB ASP A 92 12.410 -13.670 -12.168 1.00 3.89 C ATOM 1505 CG ASP A 92 13.755 -12.968 -12.007 1.00 5.45 C ATOM 1506 OD1 ASP A 92 13.777 -11.762 -11.683 1.00 6.13 O ATOM 1507 OD2 ASP A 92 14.752 -13.611 -12.413 1.00 6.60 O ATOM 0 H ASP A 92 11.502 -10.807 -11.790 1.00 2.76 H new ATOM 0 HA ASP A 92 10.297 -13.449 -12.023 1.00 3.03 H new ATOM 0 HB2 ASP A 92 12.441 -14.604 -11.607 1.00 3.89 H new ATOM 0 HB3 ASP A 92 12.284 -13.933 -13.218 1.00 3.89 H new ATOM 1512 N LEU A 93 9.838 -12.574 -9.695 1.00 2.15 N ATOM 1513 CA LEU A 93 9.594 -11.833 -8.460 1.00 1.95 C ATOM 1514 C LEU A 93 9.995 -12.614 -7.194 1.00 1.78 C ATOM 1515 O LEU A 93 11.056 -12.339 -6.647 1.00 1.69 O ATOM 1516 CB LEU A 93 8.093 -11.480 -8.533 1.00 3.18 C ATOM 1517 CG LEU A 93 7.453 -10.603 -7.448 1.00 2.50 C ATOM 1518 CD1 LEU A 93 6.996 -11.391 -6.224 1.00 3.63 C ATOM 1519 CD2 LEU A 93 8.349 -9.438 -7.054 1.00 2.07 C ATOM 0 H LEU A 93 8.998 -12.951 -10.134 1.00 2.15 H new ATOM 0 HA LEU A 93 10.214 -10.940 -8.379 1.00 1.95 H new ATOM 0 HB2 LEU A 93 7.923 -10.986 -9.490 1.00 3.18 H new ATOM 0 HB3 LEU A 93 7.541 -12.419 -8.557 1.00 3.18 H new ATOM 0 HG LEU A 93 6.551 -10.191 -7.901 1.00 2.50 H new ATOM 0 HD11 LEU A 93 6.553 -10.710 -5.497 1.00 3.63 H new ATOM 0 HD12 LEU A 93 6.256 -12.132 -6.524 1.00 3.63 H new ATOM 0 HD13 LEU A 93 7.852 -11.894 -5.775 1.00 3.63 H new ATOM 0 HD21 LEU A 93 7.856 -8.844 -6.284 1.00 2.07 H new ATOM 0 HD22 LEU A 93 9.294 -9.820 -6.668 1.00 2.07 H new ATOM 0 HD23 LEU A 93 8.539 -8.814 -7.927 1.00 2.07 H new ATOM 1531 N LYS A 94 9.326 -13.727 -6.862 1.00 1.97 N ATOM 1532 CA LYS A 94 9.718 -14.518 -5.686 1.00 1.86 C ATOM 1533 C LYS A 94 11.000 -15.304 -5.974 1.00 1.66 C ATOM 1534 O LYS A 94 11.658 -15.794 -5.063 1.00 1.69 O ATOM 1535 CB LYS A 94 8.592 -15.440 -5.187 1.00 2.22 C ATOM 1536 CG LYS A 94 7.398 -14.720 -4.536 1.00 2.43 C ATOM 1537 CD LYS A 94 7.783 -14.001 -3.230 1.00 1.67 C ATOM 1538 CE LYS A 94 6.588 -13.776 -2.286 1.00 2.13 C ATOM 1539 NZ LYS A 94 5.693 -12.692 -2.738 1.00 2.73 N ATOM 0 H LYS A 94 8.527 -14.095 -7.379 1.00 1.97 H new ATOM 0 HA LYS A 94 9.915 -13.816 -4.876 1.00 1.86 H new ATOM 0 HB2 LYS A 94 8.226 -16.029 -6.028 1.00 2.22 H new ATOM 0 HB3 LYS A 94 9.011 -16.141 -4.465 1.00 2.22 H new ATOM 0 HG2 LYS A 94 6.988 -13.995 -5.239 1.00 2.43 H new ATOM 0 HG3 LYS A 94 6.610 -15.444 -4.329 1.00 2.43 H new ATOM 0 HD2 LYS A 94 8.542 -14.586 -2.711 1.00 1.67 H new ATOM 0 HD3 LYS A 94 8.233 -13.038 -3.472 1.00 1.67 H new ATOM 0 HE2 LYS A 94 6.017 -14.701 -2.204 1.00 2.13 H new ATOM 0 HE3 LYS A 94 6.959 -13.541 -1.288 1.00 2.13 H new ATOM 0 HZ1 LYS A 94 5.235 -12.253 -1.914 1.00 2.73 H new ATOM 0 HZ2 LYS A 94 6.247 -11.975 -3.249 1.00 2.73 H new ATOM 0 HZ3 LYS A 94 4.966 -13.083 -3.370 1.00 2.73 H new ATOM 1553 N ILE A 95 11.324 -15.475 -7.256 1.00 1.58 N ATOM 1554 CA ILE A 95 12.474 -16.231 -7.720 1.00 1.64 C ATOM 1555 C ILE A 95 13.784 -15.653 -7.165 1.00 1.63 C ATOM 1556 O ILE A 95 14.741 -16.410 -7.015 1.00 1.78 O ATOM 1557 CB ILE A 95 12.416 -16.303 -9.256 1.00 1.66 C ATOM 1558 CG1 ILE A 95 11.197 -17.148 -9.683 1.00 2.24 C ATOM 1559 CG2 ILE A 95 13.698 -16.886 -9.865 1.00 2.74 C ATOM 1560 CD1 ILE A 95 10.817 -16.984 -11.157 1.00 2.29 C ATOM 0 H ILE A 95 10.774 -15.078 -8.017 1.00 1.58 H new ATOM 0 HA ILE A 95 12.446 -17.252 -7.339 1.00 1.64 H new ATOM 0 HB ILE A 95 12.319 -15.284 -9.632 1.00 1.66 H new ATOM 0 HG12 ILE A 95 11.409 -18.199 -9.487 1.00 2.24 H new ATOM 0 HG13 ILE A 95 10.342 -16.874 -9.064 1.00 2.24 H new ATOM 0 HG21 ILE A 95 13.605 -16.915 -10.951 1.00 2.74 H new ATOM 0 HG22 ILE A 95 14.548 -16.261 -9.590 1.00 2.74 H new ATOM 0 HG23 ILE A 95 13.853 -17.897 -9.487 1.00 2.74 H new ATOM 0 HD11 ILE A 95 9.952 -17.608 -11.381 1.00 2.29 H new ATOM 0 HD12 ILE A 95 10.572 -15.941 -11.356 1.00 2.29 H new ATOM 0 HD13 ILE A 95 11.655 -17.286 -11.785 1.00 2.29 H new ATOM 1572 N ARG A 96 13.848 -14.353 -6.825 1.00 1.57 N ATOM 1573 CA ARG A 96 14.943 -13.745 -6.059 1.00 1.65 C ATOM 1574 C ARG A 96 16.253 -13.594 -6.845 1.00 1.81 C ATOM 1575 O ARG A 96 16.801 -12.492 -6.912 1.00 2.13 O ATOM 1576 CB ARG A 96 15.155 -14.504 -4.745 1.00 1.97 C ATOM 1577 CG ARG A 96 16.172 -13.880 -3.778 1.00 1.92 C ATOM 1578 CD ARG A 96 16.021 -12.384 -3.467 1.00 2.96 C ATOM 1579 NE ARG A 96 16.795 -11.507 -4.361 1.00 3.55 N ATOM 1580 CZ ARG A 96 17.258 -10.304 -3.993 1.00 4.59 C ATOM 1581 NH1 ARG A 96 17.467 -10.012 -2.710 1.00 5.18 N ATOM 1582 NH2 ARG A 96 17.490 -9.347 -4.887 1.00 5.78 N ATOM 0 H ARG A 96 13.122 -13.684 -7.082 1.00 1.57 H new ATOM 0 HA ARG A 96 14.633 -12.724 -5.837 1.00 1.65 H new ATOM 0 HB2 ARG A 96 14.196 -14.585 -4.234 1.00 1.97 H new ATOM 0 HB3 ARG A 96 15.478 -15.518 -4.980 1.00 1.97 H new ATOM 0 HG2 ARG A 96 16.122 -14.427 -2.837 1.00 1.92 H new ATOM 0 HG3 ARG A 96 17.169 -14.041 -4.187 1.00 1.92 H new ATOM 0 HD2 ARG A 96 14.967 -12.114 -3.533 1.00 2.96 H new ATOM 0 HD3 ARG A 96 16.333 -12.204 -2.438 1.00 2.96 H new ATOM 0 HE ARG A 96 16.989 -11.831 -5.308 1.00 3.55 H new ATOM 0 HH11 ARG A 96 17.274 -10.709 -1.990 1.00 5.18 H new ATOM 0 HH12 ARG A 96 17.820 -9.092 -2.447 1.00 5.18 H new ATOM 0 HH21 ARG A 96 17.316 -9.521 -5.877 1.00 5.78 H new ATOM 0 HH22 ARG A 96 17.842 -8.439 -4.583 1.00 5.78 H new ATOM 1681 N GLU B 4 12.116 -14.676 -0.458 1.00 1.79 N ATOM 1682 CA GLU B 4 13.093 -13.969 -1.276 1.00 1.63 C ATOM 1683 C GLU B 4 13.895 -12.894 -0.539 1.00 1.78 C ATOM 1684 O GLU B 4 14.132 -11.796 -1.039 1.00 3.41 O ATOM 1685 CB GLU B 4 12.438 -13.451 -2.554 1.00 1.95 C ATOM 1686 CG GLU B 4 11.360 -12.391 -2.337 1.00 2.56 C ATOM 1687 CD GLU B 4 11.249 -11.476 -3.548 1.00 3.47 C ATOM 1688 OE1 GLU B 4 12.279 -10.842 -3.874 1.00 3.52 O ATOM 1689 OE2 GLU B 4 10.144 -11.458 -4.125 1.00 4.72 O ATOM 0 HA GLU B 4 13.852 -14.703 -1.547 1.00 1.63 H new ATOM 0 HB2 GLU B 4 13.212 -13.035 -3.199 1.00 1.95 H new ATOM 0 HB3 GLU B 4 11.997 -14.294 -3.087 1.00 1.95 H new ATOM 0 HG2 GLU B 4 10.401 -12.874 -2.152 1.00 2.56 H new ATOM 0 HG3 GLU B 4 11.596 -11.802 -1.451 1.00 2.56 H new ATOM 1696 N PRO B 5 14.583 -13.315 0.518 1.00 1.41 N ATOM 1697 CA PRO B 5 14.080 -13.296 1.881 1.00 2.00 C ATOM 1698 C PRO B 5 13.474 -11.914 2.191 1.00 1.73 C ATOM 1699 O PRO B 5 14.127 -11.065 2.796 1.00 1.89 O ATOM 1700 CB PRO B 5 15.300 -13.655 2.759 1.00 2.91 C ATOM 1701 CG PRO B 5 16.424 -14.000 1.770 1.00 2.83 C ATOM 1702 CD PRO B 5 16.018 -13.239 0.514 1.00 1.75 C ATOM 0 HA PRO B 5 13.273 -14.005 2.064 1.00 2.00 H new ATOM 0 HB2 PRO B 5 15.583 -12.820 3.400 1.00 2.91 H new ATOM 0 HB3 PRO B 5 15.079 -14.498 3.413 1.00 2.91 H new ATOM 0 HG2 PRO B 5 17.399 -13.680 2.139 1.00 2.83 H new ATOM 0 HG3 PRO B 5 16.488 -15.073 1.589 1.00 2.83 H new ATOM 0 HD2 PRO B 5 16.364 -12.206 0.542 1.00 1.75 H new ATOM 0 HD3 PRO B 5 16.440 -13.692 -0.383 1.00 1.75 H new ATOM 1710 N LEU B 6 12.238 -11.670 1.742 1.00 1.52 N ATOM 1711 CA LEU B 6 11.562 -10.384 1.907 1.00 1.40 C ATOM 1712 C LEU B 6 10.877 -10.297 3.270 1.00 1.26 C ATOM 1713 O LEU B 6 10.971 -11.227 4.066 1.00 1.44 O ATOM 1714 CB LEU B 6 10.628 -10.082 0.730 1.00 1.53 C ATOM 1715 CG LEU B 6 9.527 -11.116 0.447 1.00 1.42 C ATOM 1716 CD1 LEU B 6 8.539 -11.299 1.602 1.00 2.42 C ATOM 1717 CD2 LEU B 6 8.734 -10.640 -0.769 1.00 2.48 C ATOM 0 H LEU B 6 11.677 -12.366 1.251 1.00 1.52 H new ATOM 0 HA LEU B 6 12.313 -9.595 1.893 1.00 1.40 H new ATOM 0 HB2 LEU B 6 10.153 -9.118 0.910 1.00 1.53 H new ATOM 0 HB3 LEU B 6 11.235 -9.975 -0.169 1.00 1.53 H new ATOM 0 HG LEU B 6 10.023 -12.074 0.289 1.00 1.42 H new ATOM 0 HD11 LEU B 6 7.792 -12.044 1.327 1.00 2.42 H new ATOM 0 HD12 LEU B 6 9.075 -11.633 2.490 1.00 2.42 H new ATOM 0 HD13 LEU B 6 8.045 -10.350 1.812 1.00 2.42 H new ATOM 0 HD21 LEU B 6 7.944 -11.357 -0.992 1.00 2.48 H new ATOM 0 HD22 LEU B 6 8.291 -9.667 -0.556 1.00 2.48 H new ATOM 0 HD23 LEU B 6 9.400 -10.555 -1.627 1.00 2.48 H new ATOM 1729 N THR B 7 10.225 -9.166 3.558 1.00 1.20 N ATOM 1730 CA THR B 7 9.465 -8.939 4.785 1.00 1.22 C ATOM 1731 C THR B 7 8.023 -8.547 4.426 1.00 1.20 C ATOM 1732 O THR B 7 7.773 -8.143 3.287 1.00 1.27 O ATOM 1733 CB THR B 7 10.160 -7.814 5.556 1.00 1.38 C ATOM 1734 OG1 THR B 7 11.560 -8.016 5.585 1.00 1.65 O ATOM 1735 CG2 THR B 7 9.685 -7.688 7.003 1.00 1.38 C ATOM 0 H THR B 7 10.213 -8.365 2.927 1.00 1.20 H new ATOM 0 HA THR B 7 9.426 -9.839 5.399 1.00 1.22 H new ATOM 0 HB THR B 7 9.902 -6.899 5.023 1.00 1.38 H new ATOM 0 HG1 THR B 7 11.969 -7.381 6.209 1.00 1.65 H new ATOM 0 HG21 THR B 7 10.218 -6.872 7.491 1.00 1.38 H new ATOM 0 HG22 THR B 7 8.615 -7.483 7.018 1.00 1.38 H new ATOM 0 HG23 THR B 7 9.883 -8.619 7.533 1.00 1.38 H new ATOM 1743 N GLU B 8 7.093 -8.599 5.389 1.00 1.26 N ATOM 1744 CA GLU B 8 5.708 -8.147 5.252 1.00 1.32 C ATOM 1745 C GLU B 8 5.623 -6.805 4.525 1.00 1.17 C ATOM 1746 O GLU B 8 4.728 -6.596 3.703 1.00 1.28 O ATOM 1747 CB GLU B 8 5.048 -7.968 6.630 1.00 1.55 C ATOM 1748 CG GLU B 8 4.869 -9.250 7.460 1.00 1.96 C ATOM 1749 CD GLU B 8 6.109 -9.681 8.235 1.00 2.03 C ATOM 1750 OE1 GLU B 8 7.167 -9.051 8.022 1.00 2.72 O ATOM 1751 OE2 GLU B 8 5.983 -10.657 9.003 1.00 2.75 O ATOM 0 H GLU B 8 7.295 -8.971 6.317 1.00 1.26 H new ATOM 0 HA GLU B 8 5.191 -8.915 4.677 1.00 1.32 H new ATOM 0 HB2 GLU B 8 5.646 -7.264 7.209 1.00 1.55 H new ATOM 0 HB3 GLU B 8 4.069 -7.512 6.486 1.00 1.55 H new ATOM 0 HG2 GLU B 8 4.050 -9.100 8.164 1.00 1.96 H new ATOM 0 HG3 GLU B 8 4.573 -10.060 6.794 1.00 1.96 H new ATOM 1758 N LEU B 9 6.543 -5.887 4.857 1.00 1.03 N ATOM 1759 CA LEU B 9 6.526 -4.548 4.303 1.00 1.04 C ATOM 1760 C LEU B 9 6.562 -4.655 2.775 1.00 1.16 C ATOM 1761 O LEU B 9 5.757 -4.014 2.103 1.00 1.42 O ATOM 1762 CB LEU B 9 7.707 -3.718 4.830 1.00 1.00 C ATOM 1763 CG LEU B 9 7.629 -3.239 6.294 1.00 0.99 C ATOM 1764 CD1 LEU B 9 6.458 -2.287 6.544 1.00 1.93 C ATOM 1765 CD2 LEU B 9 7.617 -4.371 7.323 1.00 1.93 C ATOM 0 H LEU B 9 7.307 -6.060 5.511 1.00 1.03 H new ATOM 0 HA LEU B 9 5.616 -4.034 4.611 1.00 1.04 H new ATOM 0 HB2 LEU B 9 8.615 -4.310 4.715 1.00 1.00 H new ATOM 0 HB3 LEU B 9 7.816 -2.841 4.192 1.00 1.00 H new ATOM 0 HG LEU B 9 8.558 -2.688 6.440 1.00 0.99 H new ATOM 0 HD11 LEU B 9 6.453 -1.983 7.591 1.00 1.93 H new ATOM 0 HD12 LEU B 9 6.564 -1.406 5.911 1.00 1.93 H new ATOM 0 HD13 LEU B 9 5.521 -2.793 6.309 1.00 1.93 H new ATOM 0 HD21 LEU B 9 7.561 -3.950 8.327 1.00 1.93 H new ATOM 0 HD22 LEU B 9 6.752 -5.011 7.149 1.00 1.93 H new ATOM 0 HD23 LEU B 9 8.529 -4.960 7.227 1.00 1.93 H new ATOM 1777 N GLU B 10 7.457 -5.497 2.235 1.00 1.08 N ATOM 1778 CA GLU B 10 7.468 -5.765 0.803 1.00 1.20 C ATOM 1779 C GLU B 10 6.226 -6.550 0.397 1.00 1.31 C ATOM 1780 O GLU B 10 5.530 -6.153 -0.536 1.00 1.50 O ATOM 1781 CB GLU B 10 8.739 -6.483 0.319 1.00 1.16 C ATOM 1782 CG GLU B 10 9.044 -5.952 -1.091 1.00 1.62 C ATOM 1783 CD GLU B 10 10.236 -6.579 -1.804 1.00 1.83 C ATOM 1784 OE1 GLU B 10 10.844 -7.503 -1.230 1.00 2.98 O ATOM 1785 OE2 GLU B 10 10.550 -6.086 -2.914 1.00 2.57 O ATOM 0 H GLU B 10 8.171 -5.995 2.767 1.00 1.08 H new ATOM 0 HA GLU B 10 7.463 -4.792 0.313 1.00 1.20 H new ATOM 0 HB2 GLU B 10 9.573 -6.288 0.993 1.00 1.16 H new ATOM 0 HB3 GLU B 10 8.589 -7.563 0.301 1.00 1.16 H new ATOM 0 HG2 GLU B 10 8.159 -6.098 -1.711 1.00 1.62 H new ATOM 0 HG3 GLU B 10 9.212 -4.877 -1.023 1.00 1.62 H new ATOM 1792 N GLU B 11 5.956 -7.665 1.089 1.00 1.25 N ATOM 1793 CA GLU B 11 4.899 -8.599 0.704 1.00 1.31 C ATOM 1794 C GLU B 11 3.595 -7.865 0.368 1.00 1.27 C ATOM 1795 O GLU B 11 2.965 -8.145 -0.649 1.00 1.44 O ATOM 1796 CB GLU B 11 4.678 -9.672 1.786 1.00 1.40 C ATOM 1797 CG GLU B 11 4.615 -11.091 1.193 1.00 1.74 C ATOM 1798 CD GLU B 11 3.587 -11.268 0.080 1.00 3.40 C ATOM 1799 OE1 GLU B 11 2.470 -10.727 0.222 1.00 4.73 O ATOM 1800 OE2 GLU B 11 3.952 -11.954 -0.903 1.00 4.00 O ATOM 0 H GLU B 11 6.465 -7.941 1.929 1.00 1.25 H new ATOM 0 HA GLU B 11 5.227 -9.109 -0.202 1.00 1.31 H new ATOM 0 HB2 GLU B 11 5.485 -9.621 2.516 1.00 1.40 H new ATOM 0 HB3 GLU B 11 3.751 -9.462 2.320 1.00 1.40 H new ATOM 0 HG2 GLU B 11 5.600 -11.353 0.806 1.00 1.74 H new ATOM 0 HG3 GLU B 11 4.390 -11.796 1.993 1.00 1.74 H new ATOM 1807 N SER B 12 3.223 -6.865 1.176 1.00 1.17 N ATOM 1808 CA SER B 12 1.989 -6.129 0.928 1.00 1.20 C ATOM 1809 C SER B 12 1.992 -5.557 -0.491 1.00 1.16 C ATOM 1810 O SER B 12 1.026 -5.686 -1.247 1.00 1.19 O ATOM 1811 CB SER B 12 1.828 -5.016 1.970 1.00 1.25 C ATOM 1812 OG SER B 12 0.623 -4.304 1.753 1.00 2.99 O ATOM 0 H SER B 12 3.751 -6.555 1.992 1.00 1.17 H new ATOM 0 HA SER B 12 1.141 -6.808 1.017 1.00 1.20 H new ATOM 0 HB2 SER B 12 1.828 -5.445 2.972 1.00 1.25 H new ATOM 0 HB3 SER B 12 2.676 -4.333 1.915 1.00 1.25 H new ATOM 0 HG SER B 12 -0.042 -4.576 2.420 1.00 2.99 H new ATOM 1818 N ILE B 13 3.117 -4.947 -0.863 1.00 1.12 N ATOM 1819 CA ILE B 13 3.278 -4.350 -2.169 1.00 1.11 C ATOM 1820 C ILE B 13 3.200 -5.443 -3.227 1.00 0.97 C ATOM 1821 O ILE B 13 2.480 -5.285 -4.211 1.00 0.91 O ATOM 1822 CB ILE B 13 4.589 -3.548 -2.230 1.00 1.17 C ATOM 1823 CG1 ILE B 13 4.553 -2.394 -1.217 1.00 1.45 C ATOM 1824 CG2 ILE B 13 4.890 -2.956 -3.609 1.00 1.10 C ATOM 1825 CD1 ILE B 13 5.943 -2.173 -0.660 1.00 1.10 C ATOM 0 H ILE B 13 3.936 -4.858 -0.261 1.00 1.12 H new ATOM 0 HA ILE B 13 2.475 -3.640 -2.367 1.00 1.11 H new ATOM 0 HB ILE B 13 5.377 -4.264 -1.996 1.00 1.17 H new ATOM 0 HG12 ILE B 13 4.193 -1.484 -1.697 1.00 1.45 H new ATOM 0 HG13 ILE B 13 3.858 -2.625 -0.410 1.00 1.45 H new ATOM 0 HG21 ILE B 13 5.830 -2.405 -3.571 1.00 1.10 H new ATOM 0 HG22 ILE B 13 4.970 -3.760 -4.341 1.00 1.10 H new ATOM 0 HG23 ILE B 13 4.085 -2.280 -3.899 1.00 1.10 H new ATOM 0 HD11 ILE B 13 5.921 -1.354 0.059 1.00 1.10 H new ATOM 0 HD12 ILE B 13 6.285 -3.082 -0.165 1.00 1.10 H new ATOM 0 HD13 ILE B 13 6.625 -1.923 -1.473 1.00 1.10 H new ATOM 1837 N GLU B 14 3.924 -6.545 -3.016 1.00 0.99 N ATOM 1838 CA GLU B 14 3.929 -7.683 -3.924 1.00 0.94 C ATOM 1839 C GLU B 14 2.511 -8.160 -4.225 1.00 0.91 C ATOM 1840 O GLU B 14 2.116 -8.280 -5.382 1.00 0.95 O ATOM 1841 CB GLU B 14 4.775 -8.817 -3.359 1.00 1.20 C ATOM 1842 CG GLU B 14 6.166 -8.277 -3.016 1.00 1.96 C ATOM 1843 CD GLU B 14 7.244 -9.265 -3.390 1.00 2.88 C ATOM 1844 OE1 GLU B 14 6.996 -10.469 -3.177 1.00 3.08 O ATOM 1845 OE2 GLU B 14 8.251 -8.793 -3.949 1.00 4.17 O ATOM 0 H GLU B 14 4.526 -6.669 -2.202 1.00 0.99 H new ATOM 0 HA GLU B 14 4.374 -7.358 -4.865 1.00 0.94 H new ATOM 0 HB2 GLU B 14 4.302 -9.232 -2.469 1.00 1.20 H new ATOM 0 HB3 GLU B 14 4.854 -9.626 -4.085 1.00 1.20 H new ATOM 0 HG2 GLU B 14 6.333 -7.337 -3.541 1.00 1.96 H new ATOM 0 HG3 GLU B 14 6.222 -8.061 -1.949 1.00 1.96 H new ATOM 1852 N THR B 15 1.744 -8.407 -3.168 1.00 0.90 N ATOM 1853 CA THR B 15 0.356 -8.818 -3.256 1.00 0.93 C ATOM 1854 C THR B 15 -0.427 -7.816 -4.117 1.00 0.88 C ATOM 1855 O THR B 15 -1.084 -8.218 -5.078 1.00 0.91 O ATOM 1856 CB THR B 15 -0.210 -9.055 -1.844 1.00 1.01 C ATOM 1857 OG1 THR B 15 0.362 -10.243 -1.318 1.00 1.24 O ATOM 1858 CG2 THR B 15 -1.724 -9.290 -1.883 1.00 1.17 C ATOM 0 H THR B 15 2.081 -8.324 -2.209 1.00 0.90 H new ATOM 0 HA THR B 15 0.259 -9.776 -3.767 1.00 0.93 H new ATOM 0 HB THR B 15 0.019 -8.175 -1.242 1.00 1.01 H new ATOM 0 HG1 THR B 15 1.152 -10.017 -0.784 1.00 1.24 H new ATOM 0 HG21 THR B 15 -2.093 -9.454 -0.871 1.00 1.17 H new ATOM 0 HG22 THR B 15 -2.217 -8.417 -2.312 1.00 1.17 H new ATOM 0 HG23 THR B 15 -1.941 -10.166 -2.495 1.00 1.17 H new ATOM 1866 N VAL B 16 -0.318 -6.511 -3.848 1.00 0.85 N ATOM 1867 CA VAL B 16 -0.990 -5.509 -4.664 1.00 0.82 C ATOM 1868 C VAL B 16 -0.573 -5.602 -6.142 1.00 0.78 C ATOM 1869 O VAL B 16 -1.432 -5.691 -7.020 1.00 0.81 O ATOM 1870 CB VAL B 16 -0.748 -4.113 -4.078 1.00 0.83 C ATOM 1871 CG1 VAL B 16 -1.237 -3.045 -5.052 1.00 0.80 C ATOM 1872 CG2 VAL B 16 -1.488 -3.941 -2.748 1.00 1.10 C ATOM 0 H VAL B 16 0.227 -6.131 -3.075 1.00 0.85 H new ATOM 0 HA VAL B 16 -2.062 -5.704 -4.642 1.00 0.82 H new ATOM 0 HB VAL B 16 0.323 -4.003 -3.908 1.00 0.83 H new ATOM 0 HG11 VAL B 16 -1.061 -2.057 -4.627 1.00 0.80 H new ATOM 0 HG12 VAL B 16 -0.696 -3.137 -5.994 1.00 0.80 H new ATOM 0 HG13 VAL B 16 -2.304 -3.178 -5.232 1.00 0.80 H new ATOM 0 HG21 VAL B 16 -1.300 -2.942 -2.353 1.00 1.10 H new ATOM 0 HG22 VAL B 16 -2.558 -4.072 -2.907 1.00 1.10 H new ATOM 0 HG23 VAL B 16 -1.133 -4.686 -2.035 1.00 1.10 H new ATOM 1882 N VAL B 17 0.727 -5.552 -6.446 1.00 0.79 N ATOM 1883 CA VAL B 17 1.182 -5.585 -7.838 1.00 0.84 C ATOM 1884 C VAL B 17 0.762 -6.890 -8.533 1.00 0.80 C ATOM 1885 O VAL B 17 0.410 -6.872 -9.713 1.00 0.83 O ATOM 1886 CB VAL B 17 2.685 -5.279 -7.984 1.00 0.75 C ATOM 1887 CG1 VAL B 17 3.016 -3.885 -7.435 1.00 1.06 C ATOM 1888 CG2 VAL B 17 3.581 -6.303 -7.287 1.00 0.72 C ATOM 0 H VAL B 17 1.475 -5.489 -5.756 1.00 0.79 H new ATOM 0 HA VAL B 17 0.676 -4.773 -8.360 1.00 0.84 H new ATOM 0 HB VAL B 17 2.889 -5.326 -9.054 1.00 0.75 H new ATOM 0 HG11 VAL B 17 4.083 -3.693 -7.550 1.00 1.06 H new ATOM 0 HG12 VAL B 17 2.451 -3.133 -7.986 1.00 1.06 H new ATOM 0 HG13 VAL B 17 2.750 -3.837 -6.379 1.00 1.06 H new ATOM 0 HG21 VAL B 17 4.626 -6.028 -7.429 1.00 0.72 H new ATOM 0 HG22 VAL B 17 3.352 -6.321 -6.221 1.00 0.72 H new ATOM 0 HG23 VAL B 17 3.404 -7.291 -7.713 1.00 0.72 H new ATOM 1898 N THR B 18 0.747 -8.009 -7.802 1.00 0.81 N ATOM 1899 CA THR B 18 0.151 -9.254 -8.260 1.00 0.85 C ATOM 1900 C THR B 18 -1.303 -8.994 -8.644 1.00 0.94 C ATOM 1901 O THR B 18 -1.697 -9.256 -9.779 1.00 1.11 O ATOM 1902 CB THR B 18 0.301 -10.347 -7.179 1.00 1.04 C ATOM 1903 OG1 THR B 18 1.516 -11.041 -7.381 1.00 1.48 O ATOM 1904 CG2 THR B 18 -0.856 -11.351 -7.135 1.00 1.44 C ATOM 0 H THR B 18 1.153 -8.070 -6.868 1.00 0.81 H new ATOM 0 HA THR B 18 0.668 -9.624 -9.145 1.00 0.85 H new ATOM 0 HB THR B 18 0.292 -9.830 -6.219 1.00 1.04 H new ATOM 0 HG1 THR B 18 1.615 -11.734 -6.695 1.00 1.48 H new ATOM 0 HG21 THR B 18 -0.672 -12.084 -6.349 1.00 1.44 H new ATOM 0 HG22 THR B 18 -1.788 -10.824 -6.929 1.00 1.44 H new ATOM 0 HG23 THR B 18 -0.932 -11.860 -8.096 1.00 1.44 H new ATOM 1912 N THR B 19 -2.102 -8.464 -7.719 1.00 0.95 N ATOM 1913 CA THR B 19 -3.512 -8.230 -7.959 1.00 1.15 C ATOM 1914 C THR B 19 -3.711 -7.362 -9.208 1.00 1.18 C ATOM 1915 O THR B 19 -4.521 -7.699 -10.065 1.00 1.46 O ATOM 1916 CB THR B 19 -4.134 -7.642 -6.693 1.00 1.25 C ATOM 1917 OG1 THR B 19 -4.133 -8.611 -5.664 1.00 1.42 O ATOM 1918 CG2 THR B 19 -5.562 -7.149 -6.914 1.00 1.52 C ATOM 0 H THR B 19 -1.786 -8.188 -6.789 1.00 0.95 H new ATOM 0 HA THR B 19 -4.029 -9.166 -8.172 1.00 1.15 H new ATOM 0 HB THR B 19 -3.527 -6.782 -6.411 1.00 1.25 H new ATOM 0 HG1 THR B 19 -3.235 -8.677 -5.277 1.00 1.42 H new ATOM 0 HG21 THR B 19 -5.955 -6.742 -5.982 1.00 1.52 H new ATOM 0 HG22 THR B 19 -5.565 -6.373 -7.679 1.00 1.52 H new ATOM 0 HG23 THR B 19 -6.188 -7.980 -7.239 1.00 1.52 H new ATOM 1926 N PHE B 20 -2.933 -6.285 -9.364 1.00 1.02 N ATOM 1927 CA PHE B 20 -2.993 -5.423 -10.549 1.00 1.22 C ATOM 1928 C PHE B 20 -2.871 -6.209 -11.868 1.00 1.58 C ATOM 1929 O PHE B 20 -3.321 -5.730 -12.905 1.00 2.07 O ATOM 1930 CB PHE B 20 -1.893 -4.354 -10.496 1.00 1.20 C ATOM 1931 CG PHE B 20 -2.151 -3.105 -9.666 1.00 1.07 C ATOM 1932 CD1 PHE B 20 -2.895 -3.132 -8.470 1.00 1.55 C ATOM 1933 CD2 PHE B 20 -1.595 -1.889 -10.099 1.00 2.19 C ATOM 1934 CE1 PHE B 20 -3.083 -1.951 -7.729 1.00 1.64 C ATOM 1935 CE2 PHE B 20 -1.798 -0.708 -9.369 1.00 2.15 C ATOM 1936 CZ PHE B 20 -2.528 -0.737 -8.173 1.00 1.12 C ATOM 0 H PHE B 20 -2.245 -5.987 -8.673 1.00 1.02 H new ATOM 0 HA PHE B 20 -3.976 -4.952 -10.533 1.00 1.22 H new ATOM 0 HB2 PHE B 20 -0.987 -4.826 -10.117 1.00 1.20 H new ATOM 0 HB3 PHE B 20 -1.684 -4.039 -11.518 1.00 1.20 H new ATOM 0 HD1 PHE B 20 -3.322 -4.061 -8.121 1.00 1.55 H new ATOM 0 HD2 PHE B 20 -1.005 -1.863 -11.003 1.00 2.19 H new ATOM 0 HE1 PHE B 20 -3.657 -1.977 -6.814 1.00 1.64 H new ATOM 0 HE2 PHE B 20 -1.391 0.225 -9.729 1.00 2.15 H new ATOM 0 HZ PHE B 20 -2.663 0.166 -7.596 1.00 1.12 H new ATOM 1946 N PHE B 21 -2.234 -7.382 -11.846 1.00 1.41 N ATOM 1947 CA PHE B 21 -2.004 -8.261 -12.982 1.00 1.79 C ATOM 1948 C PHE B 21 -3.259 -9.050 -13.390 1.00 2.10 C ATOM 1949 O PHE B 21 -3.275 -9.588 -14.496 1.00 2.52 O ATOM 1950 CB PHE B 21 -0.853 -9.215 -12.627 1.00 1.73 C ATOM 1951 CG PHE B 21 -0.040 -9.772 -13.782 1.00 2.25 C ATOM 1952 CD1 PHE B 21 -0.395 -11.011 -14.349 1.00 2.42 C ATOM 1953 CD2 PHE B 21 1.226 -9.222 -14.059 1.00 3.46 C ATOM 1954 CE1 PHE B 21 0.553 -11.753 -15.075 1.00 3.19 C ATOM 1955 CE2 PHE B 21 2.176 -9.965 -14.783 1.00 4.07 C ATOM 1956 CZ PHE B 21 1.859 -11.257 -15.236 1.00 3.75 C ATOM 0 H PHE B 21 -1.845 -7.760 -10.982 1.00 1.41 H new ATOM 0 HA PHE B 21 -1.744 -7.649 -13.845 1.00 1.79 H new ATOM 0 HB2 PHE B 21 -0.173 -8.691 -11.956 1.00 1.73 H new ATOM 0 HB3 PHE B 21 -1.268 -10.054 -12.069 1.00 1.73 H new ATOM 0 HD1 PHE B 21 -1.398 -11.392 -14.226 1.00 2.42 H new ATOM 0 HD2 PHE B 21 1.468 -8.227 -13.715 1.00 3.46 H new ATOM 0 HE1 PHE B 21 0.278 -12.703 -15.509 1.00 3.19 H new ATOM 0 HE2 PHE B 21 3.148 -9.543 -14.991 1.00 4.07 H new ATOM 0 HZ PHE B 21 2.616 -11.867 -15.706 1.00 3.75 H new ATOM 1966 N THR B 22 -4.271 -9.184 -12.519 1.00 2.31 N ATOM 1967 CA THR B 22 -5.434 -10.044 -12.759 1.00 2.77 C ATOM 1968 C THR B 22 -6.738 -9.322 -12.391 1.00 2.65 C ATOM 1969 O THR B 22 -6.847 -8.711 -11.331 1.00 2.98 O ATOM 1970 CB THR B 22 -5.243 -11.381 -12.025 1.00 3.07 C ATOM 1971 OG1 THR B 22 -6.294 -12.272 -12.336 1.00 4.01 O ATOM 1972 CG2 THR B 22 -5.143 -11.236 -10.502 1.00 3.00 C ATOM 0 H THR B 22 -4.303 -8.695 -11.624 1.00 2.31 H new ATOM 0 HA THR B 22 -5.516 -10.270 -13.822 1.00 2.77 H new ATOM 0 HB THR B 22 -4.290 -11.777 -12.376 1.00 3.07 H new ATOM 0 HG1 THR B 22 -6.156 -13.119 -11.862 1.00 4.01 H new ATOM 0 HG21 THR B 22 -5.009 -12.219 -10.051 1.00 3.00 H new ATOM 0 HG22 THR B 22 -4.292 -10.603 -10.252 1.00 3.00 H new ATOM 0 HG23 THR B 22 -6.057 -10.782 -10.119 1.00 3.00 H new ATOM 2097 N LYS B 30 -1.557 -2.730 -18.651 1.00 2.59 N ATOM 2098 CA LYS B 30 -0.579 -1.680 -18.892 1.00 2.71 C ATOM 2099 C LYS B 30 0.300 -1.629 -17.642 1.00 2.53 C ATOM 2100 O LYS B 30 1.451 -2.060 -17.651 1.00 3.13 O ATOM 2101 CB LYS B 30 -1.291 -0.336 -19.152 1.00 3.26 C ATOM 2102 CG LYS B 30 -1.768 -0.105 -20.597 1.00 3.43 C ATOM 2103 CD LYS B 30 -3.240 -0.440 -20.902 1.00 3.13 C ATOM 2104 CE LYS B 30 -3.569 -1.937 -20.911 1.00 3.45 C ATOM 2105 NZ LYS B 30 -4.731 -2.252 -21.767 1.00 4.53 N ATOM 0 HA LYS B 30 0.027 -1.878 -19.776 1.00 2.71 H new ATOM 0 HB2 LYS B 30 -2.153 -0.268 -18.488 1.00 3.26 H new ATOM 0 HB3 LYS B 30 -0.613 0.473 -18.878 1.00 3.26 H new ATOM 0 HG2 LYS B 30 -1.598 0.942 -20.848 1.00 3.43 H new ATOM 0 HG3 LYS B 30 -1.139 -0.698 -21.262 1.00 3.43 H new ATOM 0 HD2 LYS B 30 -3.871 0.052 -20.162 1.00 3.13 H new ATOM 0 HD3 LYS B 30 -3.500 -0.019 -21.873 1.00 3.13 H new ATOM 0 HE2 LYS B 30 -2.701 -2.495 -21.261 1.00 3.45 H new ATOM 0 HE3 LYS B 30 -3.771 -2.268 -19.892 1.00 3.45 H new ATOM 0 HZ1 LYS B 30 -4.914 -3.275 -21.741 1.00 4.53 H new ATOM 0 HZ2 LYS B 30 -5.567 -1.741 -21.419 1.00 4.53 H new ATOM 0 HZ3 LYS B 30 -4.531 -1.961 -22.745 1.00 4.53 H new ATOM 2119 N ASP B 31 -0.316 -1.171 -16.554 1.00 2.04 N ATOM 2120 CA ASP B 31 0.204 -1.173 -15.193 1.00 1.82 C ATOM 2121 C ASP B 31 -0.933 -1.591 -14.268 1.00 1.75 C ATOM 2122 O ASP B 31 -0.766 -2.492 -13.449 1.00 1.95 O ATOM 2123 CB ASP B 31 0.759 0.205 -14.804 1.00 1.95 C ATOM 2124 CG ASP B 31 2.266 0.331 -15.025 1.00 2.67 C ATOM 2125 OD1 ASP B 31 2.984 -0.658 -14.746 1.00 3.36 O ATOM 2126 OD2 ASP B 31 2.679 1.449 -15.400 1.00 3.41 O ATOM 0 H ASP B 31 -1.250 -0.764 -16.605 1.00 2.04 H new ATOM 0 HA ASP B 31 1.035 -1.873 -15.110 1.00 1.82 H new ATOM 0 HB2 ASP B 31 0.248 0.973 -15.385 1.00 1.95 H new ATOM 0 HB3 ASP B 31 0.535 0.397 -13.755 1.00 1.95 H new ATOM 2131 N SER B 32 -2.090 -0.935 -14.410 1.00 1.66 N ATOM 2132 CA SER B 32 -3.274 -1.198 -13.612 1.00 1.70 C ATOM 2133 C SER B 32 -4.547 -1.039 -14.460 1.00 1.72 C ATOM 2134 O SER B 32 -4.524 -1.298 -15.662 1.00 1.81 O ATOM 2135 CB SER B 32 -3.254 -0.227 -12.437 1.00 1.57 C ATOM 2136 OG SER B 32 -4.194 -0.635 -11.461 1.00 1.88 O ATOM 0 H SER B 32 -2.223 -0.194 -15.098 1.00 1.66 H new ATOM 0 HA SER B 32 -3.275 -2.224 -13.244 1.00 1.70 H new ATOM 0 HB2 SER B 32 -2.256 -0.191 -12.001 1.00 1.57 H new ATOM 0 HB3 SER B 32 -3.488 0.780 -12.782 1.00 1.57 H new ATOM 0 HG SER B 32 -3.723 -0.901 -10.644 1.00 1.88 H new ATOM 2142 N LEU B 33 -5.644 -0.624 -13.814 1.00 1.69 N ATOM 2143 CA LEU B 33 -6.979 -0.496 -14.388 1.00 1.70 C ATOM 2144 C LEU B 33 -7.266 0.966 -14.751 1.00 1.62 C ATOM 2145 O LEU B 33 -6.385 1.824 -14.679 1.00 1.55 O ATOM 2146 CB LEU B 33 -8.039 -1.006 -13.382 1.00 1.74 C ATOM 2147 CG LEU B 33 -7.866 -2.430 -12.837 1.00 1.86 C ATOM 2148 CD1 LEU B 33 -7.612 -3.447 -13.949 1.00 2.59 C ATOM 2149 CD2 LEU B 33 -6.791 -2.522 -11.755 1.00 1.86 C ATOM 0 H LEU B 33 -5.618 -0.357 -12.830 1.00 1.69 H new ATOM 0 HA LEU B 33 -7.028 -1.099 -15.295 1.00 1.70 H new ATOM 0 HB2 LEU B 33 -8.057 -0.321 -12.535 1.00 1.74 H new ATOM 0 HB3 LEU B 33 -9.016 -0.945 -13.862 1.00 1.74 H new ATOM 0 HG LEU B 33 -8.816 -2.684 -12.367 1.00 1.86 H new ATOM 0 HD11 LEU B 33 -7.496 -4.440 -13.514 1.00 2.59 H new ATOM 0 HD12 LEU B 33 -8.455 -3.449 -14.640 1.00 2.59 H new ATOM 0 HD13 LEU B 33 -6.703 -3.178 -14.487 1.00 2.59 H new ATOM 0 HD21 LEU B 33 -6.713 -3.552 -11.407 1.00 1.86 H new ATOM 0 HD22 LEU B 33 -5.833 -2.204 -12.166 1.00 1.86 H new ATOM 0 HD23 LEU B 33 -7.060 -1.876 -10.919 1.00 1.86 H new ATOM 2161 N SER B 34 -8.527 1.246 -15.091 1.00 1.68 N ATOM 2162 CA SER B 34 -9.083 2.588 -15.112 1.00 1.56 C ATOM 2163 C SER B 34 -9.666 2.906 -13.731 1.00 1.54 C ATOM 2164 O SER B 34 -9.830 2.026 -12.878 1.00 1.68 O ATOM 2165 CB SER B 34 -10.058 2.758 -16.285 1.00 1.86 C ATOM 2166 OG SER B 34 -10.632 4.048 -16.319 1.00 1.63 O ATOM 0 H SER B 34 -9.197 0.527 -15.364 1.00 1.68 H new ATOM 0 HA SER B 34 -8.307 3.330 -15.298 1.00 1.56 H new ATOM 0 HB2 SER B 34 -9.533 2.571 -17.222 1.00 1.86 H new ATOM 0 HB3 SER B 34 -10.849 2.012 -16.209 1.00 1.86 H new ATOM 0 HG SER B 34 -9.921 4.722 -16.324 1.00 1.63 H new ATOM 2172 N VAL B 35 -9.820 4.202 -13.464 1.00 1.44 N ATOM 2173 CA VAL B 35 -9.779 4.738 -12.111 1.00 1.47 C ATOM 2174 C VAL B 35 -10.984 4.258 -11.297 1.00 1.72 C ATOM 2175 O VAL B 35 -10.848 3.779 -10.168 1.00 1.76 O ATOM 2176 CB VAL B 35 -9.703 6.272 -12.166 1.00 1.42 C ATOM 2177 CG1 VAL B 35 -9.401 6.862 -10.788 1.00 1.46 C ATOM 2178 CG2 VAL B 35 -8.586 6.790 -13.087 1.00 1.32 C ATOM 0 H VAL B 35 -9.977 4.908 -14.183 1.00 1.44 H new ATOM 0 HA VAL B 35 -8.887 4.369 -11.606 1.00 1.47 H new ATOM 0 HB VAL B 35 -10.678 6.579 -12.543 1.00 1.42 H new ATOM 0 HG11 VAL B 35 -9.354 7.949 -10.860 1.00 1.46 H new ATOM 0 HG12 VAL B 35 -10.189 6.579 -10.090 1.00 1.46 H new ATOM 0 HG13 VAL B 35 -8.445 6.480 -10.430 1.00 1.46 H new ATOM 0 HG21 VAL B 35 -8.586 7.880 -13.081 1.00 1.32 H new ATOM 0 HG22 VAL B 35 -7.622 6.425 -12.731 1.00 1.32 H new ATOM 0 HG23 VAL B 35 -8.757 6.432 -14.102 1.00 1.32 H new ATOM 2188 N ASN B 36 -12.182 4.437 -11.854 1.00 1.91 N ATOM 2189 CA ASN B 36 -13.419 4.094 -11.173 1.00 2.14 C ATOM 2190 C ASN B 36 -13.558 2.584 -10.956 1.00 2.24 C ATOM 2191 O ASN B 36 -14.006 2.195 -9.878 1.00 2.29 O ATOM 2192 CB ASN B 36 -14.654 4.672 -11.882 1.00 2.19 C ATOM 2193 CG ASN B 36 -15.481 5.515 -10.913 1.00 2.60 C ATOM 2194 OD1 ASN B 36 -15.810 5.071 -9.814 1.00 3.36 O ATOM 2195 ND2 ASN B 36 -15.804 6.750 -11.280 1.00 2.81 N ATOM 0 H ASN B 36 -12.316 4.823 -12.788 1.00 1.91 H new ATOM 0 HA ASN B 36 -13.365 4.560 -10.189 1.00 2.14 H new ATOM 0 HB2 ASN B 36 -14.342 5.282 -12.729 1.00 2.19 H new ATOM 0 HB3 ASN B 36 -15.264 3.862 -12.281 1.00 2.19 H new ATOM 0 HD21 ASN B 36 -16.334 7.348 -10.646 1.00 2.81 H new ATOM 0 HD22 ASN B 36 -15.522 7.100 -12.196 1.00 2.81 H new ATOM 2202 N GLU B 37 -13.179 1.719 -11.917 1.00 2.29 N ATOM 2203 CA GLU B 37 -13.258 0.276 -11.679 1.00 2.31 C ATOM 2204 C GLU B 37 -12.553 -0.081 -10.371 1.00 2.14 C ATOM 2205 O GLU B 37 -13.105 -0.808 -9.549 1.00 2.29 O ATOM 2206 CB GLU B 37 -12.660 -0.554 -12.826 1.00 2.53 C ATOM 2207 CG GLU B 37 -13.429 -0.442 -14.152 1.00 1.88 C ATOM 2208 CD GLU B 37 -12.767 0.554 -15.085 1.00 2.43 C ATOM 2209 OE1 GLU B 37 -12.595 1.697 -14.604 1.00 2.83 O ATOM 2210 OE2 GLU B 37 -12.400 0.138 -16.217 1.00 3.69 O ATOM 0 H GLU B 37 -12.827 1.988 -12.836 1.00 2.29 H new ATOM 0 HA GLU B 37 -14.318 0.028 -11.617 1.00 2.31 H new ATOM 0 HB2 GLU B 37 -11.629 -0.239 -12.989 1.00 2.53 H new ATOM 0 HB3 GLU B 37 -12.629 -1.601 -12.524 1.00 2.53 H new ATOM 0 HG2 GLU B 37 -13.476 -1.419 -14.632 1.00 1.88 H new ATOM 0 HG3 GLU B 37 -14.456 -0.134 -13.955 1.00 1.88 H new ATOM 2217 N PHE B 38 -11.347 0.459 -10.160 1.00 1.87 N ATOM 2218 CA PHE B 38 -10.619 0.259 -8.916 1.00 1.70 C ATOM 2219 C PHE B 38 -11.497 0.601 -7.707 1.00 1.67 C ATOM 2220 O PHE B 38 -11.562 -0.196 -6.775 1.00 1.64 O ATOM 2221 CB PHE B 38 -9.310 1.052 -8.935 1.00 1.53 C ATOM 2222 CG PHE B 38 -8.357 0.788 -7.779 1.00 1.94 C ATOM 2223 CD1 PHE B 38 -8.692 1.192 -6.473 1.00 2.27 C ATOM 2224 CD2 PHE B 38 -7.068 0.280 -8.030 1.00 3.06 C ATOM 2225 CE1 PHE B 38 -7.745 1.116 -5.440 1.00 2.49 C ATOM 2226 CE2 PHE B 38 -6.106 0.256 -7.005 1.00 3.47 C ATOM 2227 CZ PHE B 38 -6.438 0.687 -5.709 1.00 2.75 C ATOM 0 H PHE B 38 -10.859 1.039 -10.842 1.00 1.87 H new ATOM 0 HA PHE B 38 -10.358 -0.795 -8.822 1.00 1.70 H new ATOM 0 HB2 PHE B 38 -8.789 0.834 -9.867 1.00 1.53 H new ATOM 0 HB3 PHE B 38 -9.552 2.115 -8.946 1.00 1.53 H new ATOM 0 HD1 PHE B 38 -9.685 1.563 -6.264 1.00 2.27 H new ATOM 0 HD2 PHE B 38 -6.818 -0.092 -9.012 1.00 3.06 H new ATOM 0 HE1 PHE B 38 -8.025 1.389 -4.433 1.00 2.49 H new ATOM 0 HE2 PHE B 38 -5.107 -0.095 -7.215 1.00 3.47 H new ATOM 0 HZ PHE B 38 -5.693 0.688 -4.927 1.00 2.75 H new ATOM 2237 N LYS B 39 -12.171 1.764 -7.709 1.00 1.73 N ATOM 2238 CA LYS B 39 -13.060 2.180 -6.619 1.00 1.78 C ATOM 2239 C LYS B 39 -14.023 1.034 -6.278 1.00 1.98 C ATOM 2240 O LYS B 39 -14.214 0.682 -5.113 1.00 1.97 O ATOM 2241 CB LYS B 39 -13.841 3.462 -6.992 1.00 2.06 C ATOM 2242 CG LYS B 39 -14.648 4.051 -5.816 1.00 1.99 C ATOM 2243 CD LYS B 39 -15.937 4.736 -6.313 1.00 1.90 C ATOM 2244 CE LYS B 39 -16.991 3.704 -6.760 1.00 3.63 C ATOM 2245 NZ LYS B 39 -17.525 3.968 -8.117 1.00 4.59 N ATOM 0 H LYS B 39 -12.112 2.441 -8.470 1.00 1.73 H new ATOM 0 HA LYS B 39 -12.455 2.411 -5.742 1.00 1.78 H new ATOM 0 HB2 LYS B 39 -13.140 4.214 -7.354 1.00 2.06 H new ATOM 0 HB3 LYS B 39 -14.521 3.238 -7.814 1.00 2.06 H new ATOM 0 HG2 LYS B 39 -14.902 3.258 -5.113 1.00 1.99 H new ATOM 0 HG3 LYS B 39 -14.035 4.772 -5.276 1.00 1.99 H new ATOM 0 HD2 LYS B 39 -16.349 5.357 -5.518 1.00 1.90 H new ATOM 0 HD3 LYS B 39 -15.700 5.399 -7.145 1.00 1.90 H new ATOM 0 HE2 LYS B 39 -16.548 2.708 -6.738 1.00 3.63 H new ATOM 0 HE3 LYS B 39 -17.815 3.702 -6.046 1.00 3.63 H new ATOM 0 HZ1 LYS B 39 -18.138 3.180 -8.408 1.00 4.59 H new ATOM 0 HZ2 LYS B 39 -18.076 4.850 -8.108 1.00 4.59 H new ATOM 0 HZ3 LYS B 39 -16.736 4.060 -8.789 1.00 4.59 H new ATOM 2259 N GLU B 40 -14.646 0.462 -7.309 1.00 2.19 N ATOM 2260 CA GLU B 40 -15.675 -0.552 -7.145 1.00 2.34 C ATOM 2261 C GLU B 40 -15.070 -1.896 -6.727 1.00 2.26 C ATOM 2262 O GLU B 40 -15.616 -2.588 -5.867 1.00 2.35 O ATOM 2263 CB GLU B 40 -16.560 -0.592 -8.399 1.00 2.51 C ATOM 2264 CG GLU B 40 -17.176 0.810 -8.520 1.00 2.54 C ATOM 2265 CD GLU B 40 -18.211 1.003 -9.606 1.00 2.79 C ATOM 2266 OE1 GLU B 40 -18.483 0.048 -10.358 1.00 4.37 O ATOM 2267 OE2 GLU B 40 -18.701 2.157 -9.621 1.00 2.11 O ATOM 0 H GLU B 40 -14.447 0.693 -8.282 1.00 2.19 H new ATOM 0 HA GLU B 40 -16.337 -0.293 -6.319 1.00 2.34 H new ATOM 0 HB2 GLU B 40 -15.974 -0.839 -9.284 1.00 2.51 H new ATOM 0 HB3 GLU B 40 -17.335 -1.353 -8.307 1.00 2.51 H new ATOM 0 HG2 GLU B 40 -17.634 1.065 -7.564 1.00 2.54 H new ATOM 0 HG3 GLU B 40 -16.369 1.523 -8.688 1.00 2.54 H new ATOM 2274 N LEU B 41 -13.908 -2.252 -7.274 1.00 2.15 N ATOM 2275 CA LEU B 41 -13.144 -3.387 -6.776 1.00 2.05 C ATOM 2276 C LEU B 41 -12.881 -3.225 -5.274 1.00 1.70 C ATOM 2277 O LEU B 41 -13.260 -4.093 -4.493 1.00 1.68 O ATOM 2278 CB LEU B 41 -11.844 -3.567 -7.575 1.00 2.11 C ATOM 2279 CG LEU B 41 -11.982 -4.579 -8.726 1.00 2.37 C ATOM 2280 CD1 LEU B 41 -12.997 -4.141 -9.788 1.00 1.93 C ATOM 2281 CD2 LEU B 41 -10.616 -4.782 -9.390 1.00 3.84 C ATOM 0 H LEU B 41 -13.478 -1.768 -8.062 1.00 2.15 H new ATOM 0 HA LEU B 41 -13.728 -4.297 -6.915 1.00 2.05 H new ATOM 0 HB2 LEU B 41 -11.537 -2.603 -7.981 1.00 2.11 H new ATOM 0 HB3 LEU B 41 -11.053 -3.896 -6.902 1.00 2.11 H new ATOM 0 HG LEU B 41 -12.348 -5.509 -8.292 1.00 2.37 H new ATOM 0 HD11 LEU B 41 -13.050 -4.895 -10.573 1.00 1.93 H new ATOM 0 HD12 LEU B 41 -13.978 -4.027 -9.328 1.00 1.93 H new ATOM 0 HD13 LEU B 41 -12.685 -3.190 -10.219 1.00 1.93 H new ATOM 0 HD21 LEU B 41 -10.711 -5.499 -10.206 1.00 3.84 H new ATOM 0 HD22 LEU B 41 -10.257 -3.831 -9.783 1.00 3.84 H new ATOM 0 HD23 LEU B 41 -9.907 -5.162 -8.654 1.00 3.84 H new ATOM 2293 N VAL B 42 -12.267 -2.119 -4.836 1.00 1.46 N ATOM 2294 CA VAL B 42 -11.960 -1.976 -3.416 1.00 1.23 C ATOM 2295 C VAL B 42 -13.246 -1.995 -2.590 1.00 1.27 C ATOM 2296 O VAL B 42 -13.315 -2.735 -1.616 1.00 1.23 O ATOM 2297 CB VAL B 42 -11.015 -0.805 -3.079 1.00 1.14 C ATOM 2298 CG1 VAL B 42 -9.647 -1.037 -3.722 1.00 2.13 C ATOM 2299 CG2 VAL B 42 -11.545 0.587 -3.432 1.00 1.57 C ATOM 0 H VAL B 42 -11.983 -1.336 -5.425 1.00 1.46 H new ATOM 0 HA VAL B 42 -11.371 -2.847 -3.129 1.00 1.23 H new ATOM 0 HB VAL B 42 -10.934 -0.803 -1.992 1.00 1.14 H new ATOM 0 HG11 VAL B 42 -8.985 -0.206 -3.479 1.00 2.13 H new ATOM 0 HG12 VAL B 42 -9.219 -1.964 -3.342 1.00 2.13 H new ATOM 0 HG13 VAL B 42 -9.761 -1.107 -4.804 1.00 2.13 H new ATOM 0 HG21 VAL B 42 -10.806 1.339 -3.155 1.00 1.57 H new ATOM 0 HG22 VAL B 42 -11.736 0.643 -4.504 1.00 1.57 H new ATOM 0 HG23 VAL B 42 -12.472 0.772 -2.889 1.00 1.57 H new ATOM 2309 N THR B 43 -14.287 -1.244 -2.968 1.00 1.46 N ATOM 2310 CA THR B 43 -15.499 -1.224 -2.151 1.00 1.59 C ATOM 2311 C THR B 43 -16.112 -2.627 -2.021 1.00 1.63 C ATOM 2312 O THR B 43 -16.592 -2.981 -0.949 1.00 1.65 O ATOM 2313 CB THR B 43 -16.492 -0.141 -2.615 1.00 1.85 C ATOM 2314 OG1 THR B 43 -17.202 0.370 -1.505 1.00 2.09 O ATOM 2315 CG2 THR B 43 -17.511 -0.630 -3.644 1.00 2.32 C ATOM 0 H THR B 43 -14.315 -0.662 -3.805 1.00 1.46 H new ATOM 0 HA THR B 43 -15.219 -0.932 -1.139 1.00 1.59 H new ATOM 0 HB THR B 43 -15.884 0.626 -3.094 1.00 1.85 H new ATOM 0 HG1 THR B 43 -17.830 1.059 -1.807 1.00 2.09 H new ATOM 0 HG21 THR B 43 -18.173 0.191 -3.919 1.00 2.32 H new ATOM 0 HG22 THR B 43 -16.989 -0.988 -4.531 1.00 2.32 H new ATOM 0 HG23 THR B 43 -18.099 -1.442 -3.216 1.00 2.32 H new ATOM 2323 N GLN B 44 -16.084 -3.439 -3.087 1.00 1.72 N ATOM 2324 CA GLN B 44 -16.541 -4.823 -3.004 1.00 1.80 C ATOM 2325 C GLN B 44 -15.627 -5.646 -2.092 1.00 1.60 C ATOM 2326 O GLN B 44 -16.104 -6.365 -1.220 1.00 1.58 O ATOM 2327 CB GLN B 44 -16.604 -5.447 -4.402 1.00 2.03 C ATOM 2328 CG GLN B 44 -17.772 -4.882 -5.221 1.00 2.24 C ATOM 2329 CD GLN B 44 -17.782 -5.458 -6.632 1.00 2.99 C ATOM 2330 OE1 GLN B 44 -18.742 -6.101 -7.043 1.00 3.84 O ATOM 2331 NE2 GLN B 44 -16.705 -5.245 -7.379 1.00 3.67 N ATOM 0 H GLN B 44 -15.751 -3.159 -4.009 1.00 1.72 H new ATOM 0 HA GLN B 44 -17.542 -4.827 -2.573 1.00 1.80 H new ATOM 0 HB2 GLN B 44 -15.667 -5.260 -4.927 1.00 2.03 H new ATOM 0 HB3 GLN B 44 -16.710 -6.528 -4.314 1.00 2.03 H new ATOM 0 HG2 GLN B 44 -18.714 -5.113 -4.724 1.00 2.24 H new ATOM 0 HG3 GLN B 44 -17.695 -3.796 -5.269 1.00 2.24 H new ATOM 0 HE21 GLN B 44 -15.924 -4.705 -7.006 1.00 3.67 H new ATOM 0 HE22 GLN B 44 -16.659 -5.621 -8.326 1.00 3.67 H new ATOM 2340 N GLN B 45 -14.313 -5.556 -2.313 1.00 1.50 N ATOM 2341 CA GLN B 45 -13.306 -6.308 -1.570 1.00 1.38 C ATOM 2342 C GLN B 45 -13.242 -5.892 -0.096 1.00 1.17 C ATOM 2343 O GLN B 45 -12.765 -6.671 0.725 1.00 1.13 O ATOM 2344 CB GLN B 45 -11.943 -6.134 -2.255 1.00 1.35 C ATOM 2345 CG GLN B 45 -11.713 -6.962 -3.534 1.00 1.30 C ATOM 2346 CD GLN B 45 -12.954 -7.348 -4.341 1.00 2.01 C ATOM 2347 OE1 GLN B 45 -13.250 -6.764 -5.377 1.00 2.20 O ATOM 2348 NE2 GLN B 45 -13.660 -8.392 -3.909 1.00 3.18 N ATOM 0 H GLN B 45 -13.915 -4.946 -3.027 1.00 1.50 H new ATOM 0 HA GLN B 45 -13.587 -7.361 -1.578 1.00 1.38 H new ATOM 0 HB2 GLN B 45 -11.816 -5.080 -2.502 1.00 1.35 H new ATOM 0 HB3 GLN B 45 -11.164 -6.389 -1.537 1.00 1.35 H new ATOM 0 HG2 GLN B 45 -11.045 -6.400 -4.187 1.00 1.30 H new ATOM 0 HG3 GLN B 45 -11.191 -7.877 -3.256 1.00 1.30 H new ATOM 0 HE21 GLN B 45 -13.396 -8.863 -3.044 1.00 3.18 H new ATOM 0 HE22 GLN B 45 -14.465 -8.720 -4.443 1.00 3.18 H new ATOM 2357 N LEU B 46 -13.711 -4.686 0.238 1.00 1.10 N ATOM 2358 CA LEU B 46 -13.804 -4.168 1.595 1.00 0.97 C ATOM 2359 C LEU B 46 -15.273 -4.090 2.032 1.00 1.02 C ATOM 2360 O LEU B 46 -15.793 -2.986 2.190 1.00 1.16 O ATOM 2361 CB LEU B 46 -13.160 -2.767 1.659 1.00 1.00 C ATOM 2362 CG LEU B 46 -11.627 -2.789 1.694 1.00 1.06 C ATOM 2363 CD1 LEU B 46 -10.941 -3.049 0.347 1.00 1.41 C ATOM 2364 CD2 LEU B 46 -11.101 -1.456 2.222 1.00 1.51 C ATOM 0 H LEU B 46 -14.048 -4.023 -0.460 1.00 1.10 H new ATOM 0 HA LEU B 46 -13.274 -4.839 2.270 1.00 0.97 H new ATOM 0 HB2 LEU B 46 -13.486 -2.188 0.795 1.00 1.00 H new ATOM 0 HB3 LEU B 46 -13.527 -2.249 2.546 1.00 1.00 H new ATOM 0 HG LEU B 46 -11.384 -3.629 2.344 1.00 1.06 H new ATOM 0 HD11 LEU B 46 -9.859 -3.044 0.483 1.00 1.41 H new ATOM 0 HD12 LEU B 46 -11.254 -4.019 -0.039 1.00 1.41 H new ATOM 0 HD13 LEU B 46 -11.221 -2.269 -0.361 1.00 1.41 H new ATOM 0 HD21 LEU B 46 -10.011 -1.478 2.244 1.00 1.51 H new ATOM 0 HD22 LEU B 46 -11.434 -0.649 1.569 1.00 1.51 H new ATOM 0 HD23 LEU B 46 -11.481 -1.288 3.230 1.00 1.51 H new ATOM 2376 N PRO B 47 -15.963 -5.210 2.309 1.00 1.01 N ATOM 2377 CA PRO B 47 -17.354 -5.193 2.757 1.00 1.06 C ATOM 2378 C PRO B 47 -17.435 -4.845 4.253 1.00 1.06 C ATOM 2379 O PRO B 47 -18.096 -5.534 5.030 1.00 1.53 O ATOM 2380 CB PRO B 47 -17.853 -6.610 2.462 1.00 1.13 C ATOM 2381 CG PRO B 47 -16.611 -7.445 2.765 1.00 1.08 C ATOM 2382 CD PRO B 47 -15.483 -6.579 2.211 1.00 1.01 C ATOM 0 HA PRO B 47 -17.961 -4.440 2.255 1.00 1.06 H new ATOM 0 HB2 PRO B 47 -18.697 -6.887 3.094 1.00 1.13 H new ATOM 0 HB3 PRO B 47 -18.179 -6.722 1.428 1.00 1.13 H new ATOM 0 HG2 PRO B 47 -16.495 -7.626 3.834 1.00 1.08 H new ATOM 0 HG3 PRO B 47 -16.650 -8.420 2.279 1.00 1.08 H new ATOM 0 HD2 PRO B 47 -14.566 -6.716 2.784 1.00 1.01 H new ATOM 0 HD3 PRO B 47 -15.256 -6.843 1.178 1.00 1.01 H new ATOM 2390 N HIS B 48 -16.725 -3.794 4.666 1.00 1.20 N ATOM 2391 CA HIS B 48 -16.695 -3.308 6.035 1.00 1.35 C ATOM 2392 C HIS B 48 -17.915 -2.417 6.285 1.00 1.65 C ATOM 2393 O HIS B 48 -18.856 -2.382 5.495 1.00 3.02 O ATOM 2394 CB HIS B 48 -15.384 -2.538 6.263 1.00 1.80 C ATOM 2395 CG HIS B 48 -14.135 -3.249 5.806 1.00 2.30 C ATOM 2396 ND1 HIS B 48 -12.988 -2.627 5.371 1.00 3.58 N ATOM 2397 CD2 HIS B 48 -13.924 -4.602 5.747 1.00 3.54 C ATOM 2398 CE1 HIS B 48 -12.103 -3.587 5.059 1.00 4.83 C ATOM 2399 NE2 HIS B 48 -12.629 -4.802 5.263 1.00 4.93 N ATOM 0 H HIS B 48 -16.140 -3.246 4.035 1.00 1.20 H new ATOM 0 HA HIS B 48 -16.734 -4.141 6.737 1.00 1.35 H new ATOM 0 HB2 HIS B 48 -15.448 -1.581 5.745 1.00 1.80 H new ATOM 0 HB3 HIS B 48 -15.290 -2.319 7.327 1.00 1.80 H new ATOM 0 HD2 HIS B 48 -14.629 -5.372 6.024 1.00 3.54 H new ATOM 0 HE1 HIS B 48 -11.103 -3.405 4.693 1.00 4.83 H new ATOM 0 HE2 HIS B 48 -12.173 -5.699 5.097 1.00 4.93 H new ATOM 2407 N LEU B 49 -17.858 -1.618 7.354 1.00 1.53 N ATOM 2408 CA LEU B 49 -18.829 -0.562 7.606 1.00 1.58 C ATOM 2409 C LEU B 49 -18.880 0.420 6.422 1.00 1.46 C ATOM 2410 O LEU B 49 -19.957 0.878 6.057 1.00 1.54 O ATOM 2411 CB LEU B 49 -18.477 0.152 8.923 1.00 1.68 C ATOM 2412 CG LEU B 49 -19.704 0.588 9.742 1.00 1.99 C ATOM 2413 CD1 LEU B 49 -19.234 1.232 11.051 1.00 2.43 C ATOM 2414 CD2 LEU B 49 -20.634 1.551 8.995 1.00 3.14 C ATOM 0 H LEU B 49 -17.133 -1.689 8.068 1.00 1.53 H new ATOM 0 HA LEU B 49 -19.824 -0.997 7.706 1.00 1.58 H new ATOM 0 HB2 LEU B 49 -17.863 -0.512 9.532 1.00 1.68 H new ATOM 0 HB3 LEU B 49 -17.871 1.030 8.698 1.00 1.68 H new ATOM 0 HG LEU B 49 -20.289 -0.311 9.937 1.00 1.99 H new ATOM 0 HD11 LEU B 49 -20.100 1.543 11.635 1.00 2.43 H new ATOM 0 HD12 LEU B 49 -18.651 0.510 11.623 1.00 2.43 H new ATOM 0 HD13 LEU B 49 -18.616 2.102 10.827 1.00 2.43 H new ATOM 0 HD21 LEU B 49 -21.476 1.814 9.635 1.00 3.14 H new ATOM 0 HD22 LEU B 49 -20.085 2.454 8.729 1.00 3.14 H new ATOM 0 HD23 LEU B 49 -21.003 1.071 8.089 1.00 3.14 H new ATOM 2426 N LEU B 50 -17.716 0.755 5.844 1.00 1.38 N ATOM 2427 CA LEU B 50 -17.578 1.752 4.782 1.00 1.37 C ATOM 2428 C LEU B 50 -18.175 3.067 5.275 1.00 1.33 C ATOM 2429 O LEU B 50 -19.097 3.636 4.696 1.00 1.44 O ATOM 2430 CB LEU B 50 -18.192 1.248 3.470 1.00 1.61 C ATOM 2431 CG LEU B 50 -17.433 0.023 2.933 1.00 1.73 C ATOM 2432 CD1 LEU B 50 -18.371 -0.770 2.027 1.00 3.12 C ATOM 2433 CD2 LEU B 50 -16.170 0.449 2.176 1.00 2.19 C ATOM 0 H LEU B 50 -16.828 0.329 6.111 1.00 1.38 H new ATOM 0 HA LEU B 50 -16.527 1.928 4.552 1.00 1.37 H new ATOM 0 HB2 LEU B 50 -19.238 0.988 3.632 1.00 1.61 H new ATOM 0 HB3 LEU B 50 -18.173 2.045 2.727 1.00 1.61 H new ATOM 0 HG LEU B 50 -17.112 -0.603 3.766 1.00 1.73 H new ATOM 0 HD11 LEU B 50 -17.848 -1.643 1.637 1.00 3.12 H new ATOM 0 HD12 LEU B 50 -19.241 -1.093 2.598 1.00 3.12 H new ATOM 0 HD13 LEU B 50 -18.694 -0.141 1.198 1.00 3.12 H new ATOM 0 HD21 LEU B 50 -15.651 -0.436 1.807 1.00 2.19 H new ATOM 0 HD22 LEU B 50 -16.447 1.085 1.335 1.00 2.19 H new ATOM 0 HD23 LEU B 50 -15.512 1.001 2.847 1.00 2.19 H new ATOM 2445 N LYS B 51 -17.643 3.502 6.416 1.00 1.27 N ATOM 2446 CA LYS B 51 -18.137 4.647 7.165 1.00 1.36 C ATOM 2447 C LYS B 51 -17.634 5.945 6.536 1.00 1.37 C ATOM 2448 O LYS B 51 -18.327 6.957 6.547 1.00 1.43 O ATOM 2449 CB LYS B 51 -17.731 4.491 8.637 1.00 1.45 C ATOM 2450 CG LYS B 51 -16.214 4.464 8.880 1.00 1.51 C ATOM 2451 CD LYS B 51 -15.624 5.879 9.006 1.00 1.62 C ATOM 2452 CE LYS B 51 -14.950 6.125 10.362 1.00 1.71 C ATOM 2453 NZ LYS B 51 -14.012 7.263 10.290 1.00 2.73 N ATOM 0 H LYS B 51 -16.837 3.054 6.852 1.00 1.27 H new ATOM 0 HA LYS B 51 -19.225 4.693 7.127 1.00 1.36 H new ATOM 0 HB2 LYS B 51 -18.163 5.312 9.209 1.00 1.45 H new ATOM 0 HB3 LYS B 51 -18.165 3.569 9.025 1.00 1.45 H new ATOM 0 HG2 LYS B 51 -16.003 3.901 9.789 1.00 1.51 H new ATOM 0 HG3 LYS B 51 -15.725 3.939 8.059 1.00 1.51 H new ATOM 0 HD2 LYS B 51 -14.896 6.036 8.210 1.00 1.62 H new ATOM 0 HD3 LYS B 51 -16.417 6.612 8.862 1.00 1.62 H new ATOM 0 HE2 LYS B 51 -15.709 6.323 11.119 1.00 1.71 H new ATOM 0 HE3 LYS B 51 -14.415 5.228 10.674 1.00 1.71 H new ATOM 0 HZ1 LYS B 51 -13.545 7.386 11.211 1.00 2.73 H new ATOM 0 HZ2 LYS B 51 -13.295 7.076 9.560 1.00 2.73 H new ATOM 0 HZ3 LYS B 51 -14.535 8.129 10.048 1.00 2.73 H new ATOM 2467 N ASP B 52 -16.398 5.875 6.045 1.00 1.36 N ATOM 2468 CA ASP B 52 -15.697 6.740 5.125 1.00 1.32 C ATOM 2469 C ASP B 52 -16.126 8.206 5.151 1.00 1.25 C ATOM 2470 O ASP B 52 -17.020 8.625 4.422 1.00 1.40 O ATOM 2471 CB ASP B 52 -15.642 6.079 3.736 1.00 1.54 C ATOM 2472 CG ASP B 52 -15.167 4.618 3.755 1.00 2.14 C ATOM 2473 OD1 ASP B 52 -14.975 4.071 4.871 1.00 3.57 O ATOM 2474 OD2 ASP B 52 -15.046 4.048 2.651 1.00 2.20 O ATOM 0 H ASP B 52 -15.794 5.103 6.328 1.00 1.36 H new ATOM 0 HA ASP B 52 -14.669 6.837 5.475 1.00 1.32 H new ATOM 0 HB2 ASP B 52 -16.634 6.122 3.286 1.00 1.54 H new ATOM 0 HB3 ASP B 52 -14.976 6.658 3.096 1.00 1.54 H new ATOM 2479 N VAL B 53 -15.439 8.987 5.992 1.00 1.27 N ATOM 2480 CA VAL B 53 -15.600 10.427 6.103 1.00 1.40 C ATOM 2481 C VAL B 53 -14.230 11.100 6.049 1.00 1.31 C ATOM 2482 O VAL B 53 -13.198 10.436 6.137 1.00 1.49 O ATOM 2483 CB VAL B 53 -16.363 10.802 7.388 1.00 1.92 C ATOM 2484 CG1 VAL B 53 -17.825 10.352 7.318 1.00 3.22 C ATOM 2485 CG2 VAL B 53 -15.705 10.213 8.643 1.00 2.65 C ATOM 0 H VAL B 53 -14.736 8.615 6.631 1.00 1.27 H new ATOM 0 HA VAL B 53 -16.196 10.784 5.263 1.00 1.40 H new ATOM 0 HB VAL B 53 -16.327 11.889 7.461 1.00 1.92 H new ATOM 0 HG11 VAL B 53 -18.336 10.631 8.239 1.00 3.22 H new ATOM 0 HG12 VAL B 53 -18.314 10.834 6.471 1.00 3.22 H new ATOM 0 HG13 VAL B 53 -17.867 9.270 7.193 1.00 3.22 H new ATOM 0 HG21 VAL B 53 -16.277 10.503 9.524 1.00 2.65 H new ATOM 0 HG22 VAL B 53 -15.683 9.126 8.566 1.00 2.65 H new ATOM 0 HG23 VAL B 53 -14.686 10.591 8.731 1.00 2.65 H new ATOM 2495 N GLY B 54 -14.228 12.426 5.911 1.00 1.55 N ATOM 2496 CA GLY B 54 -13.015 13.207 5.782 1.00 1.68 C ATOM 2497 C GLY B 54 -12.422 12.987 4.397 1.00 1.66 C ATOM 2498 O GLY B 54 -12.897 13.572 3.426 1.00 2.13 O ATOM 0 H GLY B 54 -15.080 12.986 5.886 1.00 1.55 H new ATOM 0 HA2 GLY B 54 -13.231 14.264 5.934 1.00 1.68 H new ATOM 0 HA3 GLY B 54 -12.297 12.915 6.549 1.00 1.68 H new ATOM 2502 N SER B 55 -11.410 12.124 4.290 1.00 1.36 N ATOM 2503 CA SER B 55 -10.683 11.967 3.040 1.00 1.37 C ATOM 2504 C SER B 55 -11.562 11.421 1.920 1.00 1.31 C ATOM 2505 O SER B 55 -11.266 11.675 0.757 1.00 1.48 O ATOM 2506 CB SER B 55 -9.458 11.081 3.214 1.00 1.38 C ATOM 2507 OG SER B 55 -8.553 11.621 4.161 1.00 1.66 O ATOM 0 H SER B 55 -11.081 11.529 5.051 1.00 1.36 H new ATOM 0 HA SER B 55 -10.357 12.967 2.753 1.00 1.37 H new ATOM 0 HB2 SER B 55 -9.770 10.087 3.534 1.00 1.38 H new ATOM 0 HB3 SER B 55 -8.954 10.963 2.255 1.00 1.38 H new ATOM 0 HG SER B 55 -7.638 11.551 3.816 1.00 1.66 H new ATOM 2513 N LEU B 56 -12.637 10.698 2.262 1.00 1.16 N ATOM 2514 CA LEU B 56 -13.622 10.192 1.313 1.00 1.23 C ATOM 2515 C LEU B 56 -13.919 11.238 0.251 1.00 1.45 C ATOM 2516 O LEU B 56 -13.846 10.957 -0.944 1.00 1.52 O ATOM 2517 CB LEU B 56 -14.897 9.802 2.073 1.00 1.30 C ATOM 2518 CG LEU B 56 -16.078 9.308 1.212 1.00 1.96 C ATOM 2519 CD1 LEU B 56 -16.863 10.409 0.485 1.00 2.25 C ATOM 2520 CD2 LEU B 56 -15.675 8.193 0.239 1.00 2.75 C ATOM 0 H LEU B 56 -12.845 10.446 3.228 1.00 1.16 H new ATOM 0 HA LEU B 56 -13.226 9.311 0.808 1.00 1.23 H new ATOM 0 HB2 LEU B 56 -14.644 9.020 2.789 1.00 1.30 H new ATOM 0 HB3 LEU B 56 -15.230 10.665 2.649 1.00 1.30 H new ATOM 0 HG LEU B 56 -16.769 8.893 1.946 1.00 1.96 H new ATOM 0 HD11 LEU B 56 -17.671 9.959 -0.092 1.00 2.25 H new ATOM 0 HD12 LEU B 56 -17.281 11.101 1.216 1.00 2.25 H new ATOM 0 HD13 LEU B 56 -16.195 10.949 -0.186 1.00 2.25 H new ATOM 0 HD21 LEU B 56 -16.545 7.884 -0.341 1.00 2.75 H new ATOM 0 HD22 LEU B 56 -14.901 8.560 -0.435 1.00 2.75 H new ATOM 0 HD23 LEU B 56 -15.292 7.341 0.801 1.00 2.75 H new ATOM 2532 N ASP B 57 -14.245 12.446 0.709 1.00 1.65 N ATOM 2533 CA ASP B 57 -14.618 13.549 -0.153 1.00 1.98 C ATOM 2534 C ASP B 57 -13.540 13.789 -1.219 1.00 2.00 C ATOM 2535 O ASP B 57 -13.785 13.608 -2.411 1.00 2.19 O ATOM 2536 CB ASP B 57 -14.856 14.781 0.726 1.00 2.21 C ATOM 2537 CG ASP B 57 -15.072 16.015 -0.125 1.00 2.79 C ATOM 2538 OD1 ASP B 57 -16.027 16.012 -0.923 1.00 4.06 O ATOM 2539 OD2 ASP B 57 -14.224 16.926 -0.040 1.00 2.90 O ATOM 0 H ASP B 57 -14.255 12.681 1.701 1.00 1.65 H new ATOM 0 HA ASP B 57 -15.536 13.322 -0.694 1.00 1.98 H new ATOM 0 HB2 ASP B 57 -15.725 14.616 1.363 1.00 2.21 H new ATOM 0 HB3 ASP B 57 -14.002 14.933 1.385 1.00 2.21 H new ATOM 2544 N GLU B 58 -12.317 14.120 -0.796 1.00 1.93 N ATOM 2545 CA GLU B 58 -11.173 14.275 -1.690 1.00 2.03 C ATOM 2546 C GLU B 58 -10.980 13.047 -2.580 1.00 1.67 C ATOM 2547 O GLU B 58 -10.688 13.170 -3.769 1.00 1.78 O ATOM 2548 CB GLU B 58 -9.916 14.631 -0.892 1.00 2.15 C ATOM 2549 CG GLU B 58 -9.999 16.084 -0.392 1.00 3.09 C ATOM 2550 CD GLU B 58 -9.902 17.091 -1.538 1.00 4.60 C ATOM 2551 OE1 GLU B 58 -8.758 17.376 -1.947 1.00 4.89 O ATOM 2552 OE2 GLU B 58 -10.974 17.538 -2.013 1.00 5.98 O ATOM 0 H GLU B 58 -12.094 14.289 0.185 1.00 1.93 H new ATOM 0 HA GLU B 58 -11.374 15.106 -2.367 1.00 2.03 H new ATOM 0 HB2 GLU B 58 -9.809 13.953 -0.045 1.00 2.15 H new ATOM 0 HB3 GLU B 58 -9.032 14.503 -1.516 1.00 2.15 H new ATOM 0 HG2 GLU B 58 -10.938 16.231 0.141 1.00 3.09 H new ATOM 0 HG3 GLU B 58 -9.196 16.268 0.321 1.00 3.09 H new ATOM 2559 N LYS B 59 -11.177 11.851 -2.037 1.00 1.39 N ATOM 2560 CA LYS B 59 -11.096 10.629 -2.811 1.00 1.28 C ATOM 2561 C LYS B 59 -12.128 10.592 -3.939 1.00 1.42 C ATOM 2562 O LYS B 59 -11.834 10.119 -5.037 1.00 1.73 O ATOM 2563 CB LYS B 59 -11.210 9.413 -1.880 1.00 1.20 C ATOM 2564 CG LYS B 59 -10.080 8.455 -2.228 1.00 1.12 C ATOM 2565 CD LYS B 59 -9.729 7.463 -1.121 1.00 1.16 C ATOM 2566 CE LYS B 59 -10.790 6.405 -0.840 1.00 1.46 C ATOM 2567 NZ LYS B 59 -11.910 6.975 -0.071 1.00 1.74 N ATOM 0 H LYS B 59 -11.396 11.707 -1.051 1.00 1.39 H new ATOM 0 HA LYS B 59 -10.122 10.596 -3.299 1.00 1.28 H new ATOM 0 HB2 LYS B 59 -11.141 9.722 -0.837 1.00 1.20 H new ATOM 0 HB3 LYS B 59 -12.177 8.925 -2.005 1.00 1.20 H new ATOM 0 HG2 LYS B 59 -10.355 7.898 -3.124 1.00 1.12 H new ATOM 0 HG3 LYS B 59 -9.191 9.036 -2.474 1.00 1.12 H new ATOM 0 HD2 LYS B 59 -8.799 6.961 -1.386 1.00 1.16 H new ATOM 0 HD3 LYS B 59 -9.540 8.019 -0.203 1.00 1.16 H new ATOM 0 HE2 LYS B 59 -11.160 5.996 -1.780 1.00 1.46 H new ATOM 0 HE3 LYS B 59 -10.347 5.578 -0.286 1.00 1.46 H new ATOM 0 HZ1 LYS B 59 -12.212 6.297 0.657 1.00 1.74 H new ATOM 0 HZ2 LYS B 59 -11.604 7.859 0.384 1.00 1.74 H new ATOM 0 HZ3 LYS B 59 -12.706 7.172 -0.711 1.00 1.74 H new ATOM 2581 N MET B 60 -13.331 11.103 -3.682 1.00 1.34 N ATOM 2582 CA MET B 60 -14.380 11.180 -4.681 1.00 1.47 C ATOM 2583 C MET B 60 -13.898 12.067 -5.826 1.00 1.57 C ATOM 2584 O MET B 60 -13.912 11.632 -6.976 1.00 1.66 O ATOM 2585 CB MET B 60 -15.685 11.681 -4.053 1.00 1.61 C ATOM 2586 CG MET B 60 -16.876 11.518 -5.001 1.00 1.91 C ATOM 2587 SD MET B 60 -18.456 12.045 -4.286 1.00 2.86 S ATOM 2588 CE MET B 60 -19.561 11.704 -5.671 1.00 3.79 C ATOM 0 H MET B 60 -13.600 11.475 -2.771 1.00 1.34 H new ATOM 0 HA MET B 60 -14.597 10.191 -5.084 1.00 1.47 H new ATOM 0 HB2 MET B 60 -15.878 11.133 -3.131 1.00 1.61 H new ATOM 0 HB3 MET B 60 -15.578 12.731 -3.783 1.00 1.61 H new ATOM 0 HG2 MET B 60 -16.688 12.093 -5.908 1.00 1.91 H new ATOM 0 HG3 MET B 60 -16.953 10.472 -5.297 1.00 1.91 H new ATOM 0 HE1 MET B 60 -20.581 11.973 -5.397 1.00 3.79 H new ATOM 0 HE2 MET B 60 -19.251 12.289 -6.537 1.00 3.79 H new ATOM 0 HE3 MET B 60 -19.520 10.643 -5.917 1.00 3.79 H new ATOM 2598 N LYS B 61 -13.386 13.262 -5.501 1.00 1.61 N ATOM 2599 CA LYS B 61 -12.788 14.148 -6.505 1.00 1.72 C ATOM 2600 C LYS B 61 -11.724 13.385 -7.287 1.00 1.79 C ATOM 2601 O LYS B 61 -11.685 13.425 -8.513 1.00 1.92 O ATOM 2602 CB LYS B 61 -12.108 15.379 -5.886 1.00 1.79 C ATOM 2603 CG LYS B 61 -13.058 16.471 -5.398 1.00 2.60 C ATOM 2604 CD LYS B 61 -13.791 16.083 -4.119 1.00 3.61 C ATOM 2605 CE LYS B 61 -14.381 17.328 -3.439 1.00 3.99 C ATOM 2606 NZ LYS B 61 -13.510 17.832 -2.354 1.00 3.29 N ATOM 0 H LYS B 61 -13.375 13.636 -4.552 1.00 1.61 H new ATOM 0 HA LYS B 61 -13.603 14.486 -7.145 1.00 1.72 H new ATOM 0 HB2 LYS B 61 -11.495 15.052 -5.046 1.00 1.79 H new ATOM 0 HB3 LYS B 61 -11.433 15.811 -6.625 1.00 1.79 H new ATOM 0 HG2 LYS B 61 -12.494 17.387 -5.225 1.00 2.60 H new ATOM 0 HG3 LYS B 61 -13.787 16.688 -6.178 1.00 2.60 H new ATOM 0 HD2 LYS B 61 -14.587 15.375 -4.349 1.00 3.61 H new ATOM 0 HD3 LYS B 61 -13.105 15.580 -3.438 1.00 3.61 H new ATOM 0 HE2 LYS B 61 -14.526 18.113 -4.182 1.00 3.99 H new ATOM 0 HE3 LYS B 61 -15.364 17.088 -3.033 1.00 3.99 H new ATOM 0 HZ1 LYS B 61 -13.972 17.674 -1.436 1.00 3.29 H new ATOM 0 HZ2 LYS B 61 -12.601 17.327 -2.376 1.00 3.29 H new ATOM 0 HZ3 LYS B 61 -13.344 18.850 -2.487 1.00 3.29 H new ATOM 2620 N SER B 62 -10.848 12.707 -6.547 1.00 1.77 N ATOM 2621 CA SER B 62 -9.692 12.023 -7.112 1.00 1.79 C ATOM 2622 C SER B 62 -10.082 11.029 -8.209 1.00 1.85 C ATOM 2623 O SER B 62 -9.311 10.842 -9.146 1.00 2.11 O ATOM 2624 CB SER B 62 -8.863 11.329 -6.028 1.00 1.83 C ATOM 2625 OG SER B 62 -8.416 12.254 -5.056 1.00 2.43 O ATOM 0 H SER B 62 -10.923 12.618 -5.534 1.00 1.77 H new ATOM 0 HA SER B 62 -9.075 12.794 -7.574 1.00 1.79 H new ATOM 0 HB2 SER B 62 -9.462 10.554 -5.549 1.00 1.83 H new ATOM 0 HB3 SER B 62 -8.006 10.833 -6.483 1.00 1.83 H new ATOM 0 HG SER B 62 -9.186 12.614 -4.568 1.00 2.43 H new ATOM 2631 N LEU B 63 -11.247 10.379 -8.099 1.00 1.73 N ATOM 2632 CA LEU B 63 -11.744 9.544 -9.187 1.00 1.78 C ATOM 2633 C LEU B 63 -12.458 10.437 -10.199 1.00 1.86 C ATOM 2634 O LEU B 63 -12.082 10.459 -11.370 1.00 1.82 O ATOM 2635 CB LEU B 63 -12.612 8.374 -8.686 1.00 1.88 C ATOM 2636 CG LEU B 63 -11.860 7.258 -7.934 1.00 1.80 C ATOM 2637 CD1 LEU B 63 -10.477 7.632 -7.368 1.00 1.65 C ATOM 2638 CD2 LEU B 63 -12.709 6.829 -6.734 1.00 2.01 C ATOM 0 H LEU B 63 -11.852 10.417 -7.279 1.00 1.73 H new ATOM 0 HA LEU B 63 -10.903 9.060 -9.684 1.00 1.78 H new ATOM 0 HB2 LEU B 63 -13.384 8.774 -8.028 1.00 1.88 H new ATOM 0 HB3 LEU B 63 -13.121 7.931 -9.542 1.00 1.88 H new ATOM 0 HG LEU B 63 -11.697 6.483 -8.683 1.00 1.80 H new ATOM 0 HD11 LEU B 63 -10.046 6.769 -6.861 1.00 1.65 H new ATOM 0 HD12 LEU B 63 -9.822 7.940 -8.183 1.00 1.65 H new ATOM 0 HD13 LEU B 63 -10.584 8.453 -6.659 1.00 1.65 H new ATOM 0 HD21 LEU B 63 -12.194 6.039 -6.188 1.00 2.01 H new ATOM 0 HD22 LEU B 63 -12.865 7.683 -6.075 1.00 2.01 H new ATOM 0 HD23 LEU B 63 -13.673 6.459 -7.084 1.00 2.01 H new ATOM 2650 N ASP B 64 -13.471 11.179 -9.743 1.00 2.03 N ATOM 2651 CA ASP B 64 -14.350 11.994 -10.575 1.00 2.18 C ATOM 2652 C ASP B 64 -13.585 12.784 -11.644 1.00 2.10 C ATOM 2653 O ASP B 64 -13.928 12.730 -12.823 1.00 2.22 O ATOM 2654 CB ASP B 64 -15.146 12.933 -9.664 1.00 2.30 C ATOM 2655 CG ASP B 64 -16.062 13.843 -10.465 1.00 2.40 C ATOM 2656 OD1 ASP B 64 -17.180 13.382 -10.777 1.00 3.16 O ATOM 2657 OD2 ASP B 64 -15.630 14.985 -10.731 1.00 2.11 O ATOM 0 H ASP B 64 -13.707 11.228 -8.752 1.00 2.03 H new ATOM 0 HA ASP B 64 -15.025 11.333 -11.118 1.00 2.18 H new ATOM 0 HB2 ASP B 64 -15.738 12.345 -8.963 1.00 2.30 H new ATOM 0 HB3 ASP B 64 -14.458 13.537 -9.072 1.00 2.30 H new ATOM 2662 N VAL B 65 -12.524 13.477 -11.218 1.00 1.94 N ATOM 2663 CA VAL B 65 -11.780 14.450 -12.010 1.00 1.80 C ATOM 2664 C VAL B 65 -11.430 13.955 -13.420 1.00 1.64 C ATOM 2665 O VAL B 65 -11.546 14.715 -14.380 1.00 1.57 O ATOM 2666 CB VAL B 65 -10.551 14.936 -11.218 1.00 1.67 C ATOM 2667 CG1 VAL B 65 -9.531 13.823 -10.947 1.00 3.29 C ATOM 2668 CG2 VAL B 65 -9.853 16.100 -11.929 1.00 2.28 C ATOM 0 H VAL B 65 -12.149 13.368 -10.276 1.00 1.94 H new ATOM 0 HA VAL B 65 -12.434 15.305 -12.185 1.00 1.80 H new ATOM 0 HB VAL B 65 -10.938 15.274 -10.257 1.00 1.67 H new ATOM 0 HG11 VAL B 65 -8.689 14.229 -10.386 1.00 3.29 H new ATOM 0 HG12 VAL B 65 -10.004 13.029 -10.368 1.00 3.29 H new ATOM 0 HG13 VAL B 65 -9.174 13.418 -11.894 1.00 3.29 H new ATOM 0 HG21 VAL B 65 -8.990 16.419 -11.344 1.00 2.28 H new ATOM 0 HG22 VAL B 65 -9.523 15.778 -12.916 1.00 2.28 H new ATOM 0 HG23 VAL B 65 -10.549 16.933 -12.033 1.00 2.28 H new ATOM 2678 N ASN B 66 -10.991 12.700 -13.562 1.00 1.71 N ATOM 2679 CA ASN B 66 -10.744 12.098 -14.871 1.00 1.61 C ATOM 2680 C ASN B 66 -10.775 10.576 -14.769 1.00 1.67 C ATOM 2681 O ASN B 66 -9.846 9.892 -15.206 1.00 1.71 O ATOM 2682 CB ASN B 66 -9.408 12.584 -15.465 1.00 1.55 C ATOM 2683 CG ASN B 66 -8.170 12.191 -14.652 1.00 3.42 C ATOM 2684 OD1 ASN B 66 -8.253 11.712 -13.526 1.00 5.12 O ATOM 2685 ND2 ASN B 66 -6.987 12.405 -15.223 1.00 4.16 N ATOM 0 H ASN B 66 -10.799 12.078 -12.776 1.00 1.71 H new ATOM 0 HA ASN B 66 -11.538 12.415 -15.547 1.00 1.61 H new ATOM 0 HB2 ASN B 66 -9.307 12.184 -16.474 1.00 1.55 H new ATOM 0 HB3 ASN B 66 -9.438 13.670 -15.555 1.00 1.55 H new ATOM 0 HD21 ASN B 66 -6.129 12.170 -14.723 1.00 4.16 H new ATOM 0 HD22 ASN B 66 -6.938 12.804 -16.160 1.00 4.16 H new ATOM 2692 N GLN B 67 -11.887 10.041 -14.262 1.00 1.72 N ATOM 2693 CA GLN B 67 -11.988 8.622 -13.970 1.00 1.73 C ATOM 2694 C GLN B 67 -11.680 7.729 -15.171 1.00 1.77 C ATOM 2695 O GLN B 67 -11.107 6.655 -15.009 1.00 1.76 O ATOM 2696 CB GLN B 67 -13.339 8.263 -13.349 1.00 1.78 C ATOM 2697 CG GLN B 67 -14.555 8.856 -14.089 1.00 1.85 C ATOM 2698 CD GLN B 67 -15.427 7.781 -14.728 1.00 3.39 C ATOM 2699 OE1 GLN B 67 -15.950 6.922 -14.027 1.00 4.33 O ATOM 2700 NE2 GLN B 67 -15.602 7.814 -16.040 1.00 4.21 N ATOM 0 H GLN B 67 -12.729 10.576 -14.047 1.00 1.72 H new ATOM 0 HA GLN B 67 -11.211 8.421 -13.232 1.00 1.73 H new ATOM 0 HB2 GLN B 67 -13.437 7.178 -13.324 1.00 1.78 H new ATOM 0 HB3 GLN B 67 -13.354 8.608 -12.315 1.00 1.78 H new ATOM 0 HG2 GLN B 67 -15.155 9.438 -13.389 1.00 1.85 H new ATOM 0 HG3 GLN B 67 -14.208 9.544 -14.860 1.00 1.85 H new ATOM 0 HE21 GLN B 67 -15.153 8.542 -16.596 1.00 4.21 H new ATOM 0 HE22 GLN B 67 -16.186 7.112 -16.494 1.00 4.21 H new ATOM 2709 N ASP B 68 -12.058 8.181 -16.366 1.00 1.85 N ATOM 2710 CA ASP B 68 -11.860 7.483 -17.623 1.00 1.88 C ATOM 2711 C ASP B 68 -10.388 7.168 -17.899 1.00 1.80 C ATOM 2712 O ASP B 68 -10.093 6.277 -18.694 1.00 1.91 O ATOM 2713 CB ASP B 68 -12.423 8.342 -18.770 1.00 1.94 C ATOM 2714 CG ASP B 68 -13.862 8.775 -18.538 1.00 2.41 C ATOM 2715 OD1 ASP B 68 -14.079 9.469 -17.514 1.00 3.25 O ATOM 2716 OD2 ASP B 68 -14.729 8.383 -19.344 1.00 3.48 O ATOM 0 H ASP B 68 -12.528 9.079 -16.483 1.00 1.85 H new ATOM 0 HA ASP B 68 -12.386 6.531 -17.555 1.00 1.88 H new ATOM 0 HB2 ASP B 68 -11.799 9.227 -18.894 1.00 1.94 H new ATOM 0 HB3 ASP B 68 -12.365 7.778 -19.701 1.00 1.94 H new ATOM 2721 N SER B 69 -9.457 7.917 -17.295 1.00 1.67 N ATOM 2722 CA SER B 69 -8.034 7.690 -17.506 1.00 1.67 C ATOM 2723 C SER B 69 -7.601 6.328 -16.947 1.00 1.71 C ATOM 2724 O SER B 69 -8.399 5.587 -16.374 1.00 2.81 O ATOM 2725 CB SER B 69 -7.223 8.831 -16.881 1.00 1.59 C ATOM 2726 OG SER B 69 -5.907 8.824 -17.406 1.00 2.20 O ATOM 0 H SER B 69 -9.670 8.684 -16.657 1.00 1.67 H new ATOM 0 HA SER B 69 -7.840 7.675 -18.578 1.00 1.67 H new ATOM 0 HB2 SER B 69 -7.703 9.787 -17.089 1.00 1.59 H new ATOM 0 HB3 SER B 69 -7.193 8.718 -15.797 1.00 1.59 H new ATOM 0 HG SER B 69 -5.391 9.555 -17.006 1.00 2.20 H new ATOM 2732 N GLU B 70 -6.314 6.017 -17.087 1.00 1.41 N ATOM 2733 CA GLU B 70 -5.715 4.839 -16.470 1.00 1.40 C ATOM 2734 C GLU B 70 -5.084 5.232 -15.143 1.00 1.20 C ATOM 2735 O GLU B 70 -4.743 6.394 -14.929 1.00 1.18 O ATOM 2736 CB GLU B 70 -4.679 4.184 -17.391 1.00 1.55 C ATOM 2737 CG GLU B 70 -5.374 3.231 -18.366 1.00 1.94 C ATOM 2738 CD GLU B 70 -4.399 2.604 -19.355 1.00 2.49 C ATOM 2739 OE1 GLU B 70 -3.264 2.301 -18.928 1.00 3.05 O ATOM 2740 OE2 GLU B 70 -4.805 2.401 -20.519 1.00 3.24 O ATOM 0 H GLU B 70 -5.658 6.576 -17.632 1.00 1.41 H new ATOM 0 HA GLU B 70 -6.499 4.102 -16.295 1.00 1.40 H new ATOM 0 HB2 GLU B 70 -4.136 4.950 -17.944 1.00 1.55 H new ATOM 0 HB3 GLU B 70 -3.945 3.639 -16.797 1.00 1.55 H new ATOM 0 HG2 GLU B 70 -5.876 2.443 -17.805 1.00 1.94 H new ATOM 0 HG3 GLU B 70 -6.145 3.773 -18.913 1.00 1.94 H new ATOM 2747 N LEU B 71 -4.935 4.245 -14.263 1.00 1.23 N ATOM 2748 CA LEU B 71 -4.279 4.413 -12.973 1.00 1.07 C ATOM 2749 C LEU B 71 -2.968 3.626 -12.936 1.00 1.05 C ATOM 2750 O LEU B 71 -2.699 2.813 -13.819 1.00 1.27 O ATOM 2751 CB LEU B 71 -5.260 4.048 -11.851 1.00 1.14 C ATOM 2752 CG LEU B 71 -5.382 2.540 -11.582 1.00 2.26 C ATOM 2753 CD1 LEU B 71 -4.450 2.097 -10.444 1.00 3.14 C ATOM 2754 CD2 LEU B 71 -6.816 2.156 -11.233 1.00 3.08 C ATOM 0 H LEU B 71 -5.271 3.296 -14.429 1.00 1.23 H new ATOM 0 HA LEU B 71 -4.000 5.455 -12.817 1.00 1.07 H new ATOM 0 HB2 LEU B 71 -4.945 4.544 -10.933 1.00 1.14 H new ATOM 0 HB3 LEU B 71 -6.245 4.441 -12.104 1.00 1.14 H new ATOM 0 HG LEU B 71 -5.088 2.030 -12.500 1.00 2.26 H new ATOM 0 HD11 LEU B 71 -4.561 1.025 -10.279 1.00 3.14 H new ATOM 0 HD12 LEU B 71 -3.417 2.318 -10.713 1.00 3.14 H new ATOM 0 HD13 LEU B 71 -4.710 2.633 -9.531 1.00 3.14 H new ATOM 0 HD21 LEU B 71 -6.871 1.083 -11.048 1.00 3.08 H new ATOM 0 HD22 LEU B 71 -7.130 2.695 -10.339 1.00 3.08 H new ATOM 0 HD23 LEU B 71 -7.474 2.415 -12.062 1.00 3.08 H new ATOM 2766 N LYS B 72 -2.157 3.860 -11.902 1.00 0.94 N ATOM 2767 CA LYS B 72 -0.858 3.244 -11.670 1.00 1.07 C ATOM 2768 C LYS B 72 -0.631 3.209 -10.153 1.00 1.03 C ATOM 2769 O LYS B 72 -1.414 3.787 -9.395 1.00 0.79 O ATOM 2770 CB LYS B 72 0.229 4.062 -12.385 1.00 1.10 C ATOM 2771 CG LYS B 72 0.489 3.628 -13.832 1.00 1.80 C ATOM 2772 CD LYS B 72 0.669 4.802 -14.807 1.00 2.00 C ATOM 2773 CE LYS B 72 1.889 5.696 -14.531 1.00 3.66 C ATOM 2774 NZ LYS B 72 1.670 6.681 -13.450 1.00 4.93 N ATOM 0 H LYS B 72 -2.407 4.521 -11.167 1.00 0.94 H new ATOM 0 HA LYS B 72 -0.818 2.229 -12.066 1.00 1.07 H new ATOM 0 HB2 LYS B 72 -0.059 5.113 -12.379 1.00 1.10 H new ATOM 0 HB3 LYS B 72 1.158 3.983 -11.821 1.00 1.10 H new ATOM 0 HG2 LYS B 72 1.382 3.004 -13.860 1.00 1.80 H new ATOM 0 HG3 LYS B 72 -0.342 3.010 -14.171 1.00 1.80 H new ATOM 0 HD2 LYS B 72 0.750 4.405 -15.819 1.00 2.00 H new ATOM 0 HD3 LYS B 72 -0.229 5.419 -14.778 1.00 2.00 H new ATOM 0 HE2 LYS B 72 2.739 5.066 -14.270 1.00 3.66 H new ATOM 0 HE3 LYS B 72 2.155 6.226 -15.446 1.00 3.66 H new ATOM 0 HZ1 LYS B 72 2.375 7.442 -13.525 1.00 4.93 H new ATOM 0 HZ2 LYS B 72 0.715 7.084 -13.536 1.00 4.93 H new ATOM 0 HZ3 LYS B 72 1.765 6.211 -12.527 1.00 4.93 H new ATOM 2788 N PHE B 73 0.406 2.479 -9.726 1.00 1.36 N ATOM 2789 CA PHE B 73 0.551 2.019 -8.349 1.00 1.39 C ATOM 2790 C PHE B 73 0.519 3.181 -7.359 1.00 1.27 C ATOM 2791 O PHE B 73 -0.428 3.292 -6.584 1.00 1.18 O ATOM 2792 CB PHE B 73 1.845 1.190 -8.203 1.00 1.81 C ATOM 2793 CG PHE B 73 2.117 0.232 -9.346 1.00 1.24 C ATOM 2794 CD1 PHE B 73 1.503 -1.033 -9.369 1.00 2.64 C ATOM 2795 CD2 PHE B 73 2.907 0.644 -10.437 1.00 1.81 C ATOM 2796 CE1 PHE B 73 1.650 -1.866 -10.493 1.00 3.54 C ATOM 2797 CE2 PHE B 73 2.999 -0.162 -11.582 1.00 2.21 C ATOM 2798 CZ PHE B 73 2.344 -1.404 -11.622 1.00 2.95 C ATOM 0 H PHE B 73 1.172 2.191 -10.335 1.00 1.36 H new ATOM 0 HA PHE B 73 -0.299 1.380 -8.111 1.00 1.39 H new ATOM 0 HB2 PHE B 73 2.689 1.873 -8.111 1.00 1.81 H new ATOM 0 HB3 PHE B 73 1.793 0.621 -7.275 1.00 1.81 H new ATOM 0 HD1 PHE B 73 0.919 -1.365 -8.524 1.00 2.64 H new ATOM 0 HD2 PHE B 73 3.442 1.581 -10.392 1.00 1.81 H new ATOM 0 HE1 PHE B 73 1.229 -2.861 -10.487 1.00 3.54 H new ATOM 0 HE2 PHE B 73 3.574 0.173 -12.433 1.00 2.21 H new ATOM 0 HZ PHE B 73 2.374 -2.003 -12.520 1.00 2.95 H new ATOM 2808 N ASN B 74 1.511 4.075 -7.430 1.00 1.48 N ATOM 2809 CA ASN B 74 1.659 5.180 -6.482 1.00 1.50 C ATOM 2810 C ASN B 74 0.403 6.054 -6.467 1.00 1.18 C ATOM 2811 O ASN B 74 -0.041 6.470 -5.397 1.00 1.27 O ATOM 2812 CB ASN B 74 2.923 6.014 -6.760 1.00 1.91 C ATOM 2813 CG ASN B 74 2.728 6.917 -7.967 1.00 1.43 C ATOM 2814 OD1 ASN B 74 2.426 8.097 -7.830 1.00 2.70 O ATOM 2815 ND2 ASN B 74 2.822 6.331 -9.154 1.00 2.19 N ATOM 0 H ASN B 74 2.234 4.051 -8.149 1.00 1.48 H new ATOM 0 HA ASN B 74 1.781 4.746 -5.490 1.00 1.50 H new ATOM 0 HB2 ASN B 74 3.164 6.618 -5.885 1.00 1.91 H new ATOM 0 HB3 ASN B 74 3.770 5.350 -6.932 1.00 1.91 H new ATOM 0 HD21 ASN B 74 2.639 6.866 -10.003 1.00 2.19 H new ATOM 0 HD22 ASN B 74 3.077 5.345 -9.217 1.00 2.19 H new ATOM 2822 N GLU B 75 -0.170 6.313 -7.649 1.00 1.02 N ATOM 2823 CA GLU B 75 -1.329 7.172 -7.808 1.00 0.98 C ATOM 2824 C GLU B 75 -2.510 6.687 -6.968 1.00 1.20 C ATOM 2825 O GLU B 75 -3.087 7.495 -6.246 1.00 1.58 O ATOM 2826 CB GLU B 75 -1.667 7.328 -9.297 1.00 1.04 C ATOM 2827 CG GLU B 75 -0.637 8.229 -10.004 1.00 1.54 C ATOM 2828 CD GLU B 75 0.039 7.559 -11.189 1.00 2.63 C ATOM 2829 OE1 GLU B 75 1.012 6.803 -10.968 1.00 4.03 O ATOM 2830 OE2 GLU B 75 -0.356 7.806 -12.348 1.00 3.31 O ATOM 0 H GLU B 75 0.170 5.922 -8.528 1.00 1.02 H new ATOM 0 HA GLU B 75 -1.090 8.164 -7.426 1.00 0.98 H new ATOM 0 HB2 GLU B 75 -1.687 6.348 -9.774 1.00 1.04 H new ATOM 0 HB3 GLU B 75 -2.664 7.755 -9.405 1.00 1.04 H new ATOM 0 HG2 GLU B 75 -1.133 9.138 -10.345 1.00 1.54 H new ATOM 0 HG3 GLU B 75 0.124 8.532 -9.285 1.00 1.54 H new ATOM 2837 N TYR B 76 -2.879 5.403 -7.035 1.00 1.18 N ATOM 2838 CA TYR B 76 -3.953 4.906 -6.171 1.00 1.67 C ATOM 2839 C TYR B 76 -3.485 4.575 -4.761 1.00 1.38 C ATOM 2840 O TYR B 76 -4.289 4.632 -3.834 1.00 1.33 O ATOM 2841 CB TYR B 76 -4.710 3.726 -6.776 1.00 2.18 C ATOM 2842 CG TYR B 76 -6.192 4.007 -6.940 1.00 3.93 C ATOM 2843 CD1 TYR B 76 -7.038 4.083 -5.816 1.00 4.85 C ATOM 2844 CD2 TYR B 76 -6.714 4.293 -8.210 1.00 5.67 C ATOM 2845 CE1 TYR B 76 -8.420 4.292 -5.987 1.00 6.52 C ATOM 2846 CE2 TYR B 76 -8.098 4.428 -8.387 1.00 7.52 C ATOM 2847 CZ TYR B 76 -8.957 4.357 -7.283 1.00 7.66 C ATOM 2848 OH TYR B 76 -10.305 4.280 -7.476 1.00 9.34 O ATOM 0 H TYR B 76 -2.465 4.709 -7.657 1.00 1.18 H new ATOM 0 HA TYR B 76 -4.651 5.740 -6.095 1.00 1.67 H new ATOM 0 HB2 TYR B 76 -4.280 3.483 -7.748 1.00 2.18 H new ATOM 0 HB3 TYR B 76 -4.578 2.850 -6.141 1.00 2.18 H new ATOM 0 HD1 TYR B 76 -6.626 3.981 -4.823 1.00 4.85 H new ATOM 0 HD2 TYR B 76 -6.049 4.409 -9.053 1.00 5.67 H new ATOM 0 HE1 TYR B 76 -9.063 4.402 -5.126 1.00 6.52 H new ATOM 0 HE2 TYR B 76 -8.502 4.587 -9.376 1.00 7.52 H new ATOM 0 HH TYR B 76 -10.491 4.112 -8.423 1.00 9.34 H new ATOM 2858 N TRP B 77 -2.218 4.188 -4.587 1.00 1.16 N ATOM 2859 CA TRP B 77 -1.683 3.804 -3.288 1.00 0.97 C ATOM 2860 C TRP B 77 -2.154 4.753 -2.185 1.00 0.98 C ATOM 2861 O TRP B 77 -2.957 4.385 -1.331 1.00 0.92 O ATOM 2862 CB TRP B 77 -0.153 3.736 -3.339 1.00 0.99 C ATOM 2863 CG TRP B 77 0.381 2.549 -2.647 1.00 0.86 C ATOM 2864 CD1 TRP B 77 0.773 2.548 -1.367 1.00 0.75 C ATOM 2865 CD2 TRP B 77 0.696 1.232 -3.174 1.00 0.86 C ATOM 2866 NE1 TRP B 77 1.201 1.295 -1.021 1.00 0.69 N ATOM 2867 CE2 TRP B 77 1.209 0.446 -2.104 1.00 0.79 C ATOM 2868 CE3 TRP B 77 0.680 0.650 -4.456 1.00 0.97 C ATOM 2869 CZ2 TRP B 77 1.629 -0.874 -2.285 1.00 0.91 C ATOM 2870 CZ3 TRP B 77 1.210 -0.633 -4.655 1.00 1.01 C ATOM 2871 CH2 TRP B 77 1.602 -1.419 -3.574 1.00 1.02 C ATOM 0 H TRP B 77 -1.539 4.134 -5.346 1.00 1.16 H new ATOM 0 HA TRP B 77 -2.065 2.812 -3.047 1.00 0.97 H new ATOM 0 HB2 TRP B 77 0.173 3.724 -4.379 1.00 0.99 H new ATOM 0 HB3 TRP B 77 0.263 4.635 -2.885 1.00 0.99 H new ATOM 0 HD1 TRP B 77 0.754 3.404 -0.709 1.00 0.75 H new ATOM 0 HE1 TRP B 77 1.479 1.024 -0.078 1.00 0.69 H new ATOM 0 HE3 TRP B 77 0.258 1.193 -5.289 1.00 0.97 H new ATOM 0 HZ2 TRP B 77 1.968 -1.463 -1.446 1.00 0.91 H new ATOM 0 HZ3 TRP B 77 1.316 -1.016 -5.659 1.00 1.01 H new ATOM 0 HH2 TRP B 77 1.885 -2.449 -3.730 1.00 1.02 H new ATOM 2882 N ARG B 78 -1.688 5.998 -2.248 1.00 1.11 N ATOM 2883 CA ARG B 78 -2.125 7.111 -1.423 1.00 1.16 C ATOM 2884 C ARG B 78 -3.645 7.123 -1.167 1.00 1.15 C ATOM 2885 O ARG B 78 -4.052 7.417 -0.049 1.00 1.22 O ATOM 2886 CB ARG B 78 -1.671 8.409 -2.107 1.00 1.21 C ATOM 2887 CG ARG B 78 -2.116 8.487 -3.574 1.00 1.73 C ATOM 2888 CD ARG B 78 -1.393 9.602 -4.322 1.00 1.59 C ATOM 2889 NE ARG B 78 -2.043 10.902 -4.088 1.00 2.82 N ATOM 2890 CZ ARG B 78 -1.965 11.954 -4.919 1.00 3.65 C ATOM 2891 NH1 ARG B 78 -1.102 11.931 -5.941 1.00 3.78 N ATOM 2892 NH2 ARG B 78 -2.754 13.017 -4.727 1.00 5.01 N ATOM 0 H ARG B 78 -0.960 6.267 -2.910 1.00 1.11 H new ATOM 0 HA ARG B 78 -1.671 7.010 -0.437 1.00 1.16 H new ATOM 0 HB2 ARG B 78 -2.074 9.263 -1.563 1.00 1.21 H new ATOM 0 HB3 ARG B 78 -0.585 8.482 -2.056 1.00 1.21 H new ATOM 0 HG2 ARG B 78 -1.922 7.533 -4.065 1.00 1.73 H new ATOM 0 HG3 ARG B 78 -3.192 8.656 -3.620 1.00 1.73 H new ATOM 0 HD2 ARG B 78 -0.353 9.648 -3.998 1.00 1.59 H new ATOM 0 HD3 ARG B 78 -1.385 9.383 -5.390 1.00 1.59 H new ATOM 0 HE ARG B 78 -2.591 11.011 -3.235 1.00 2.82 H new ATOM 0 HH11 ARG B 78 -0.506 11.116 -6.087 1.00 3.78 H new ATOM 0 HH12 ARG B 78 -1.040 12.728 -6.574 1.00 3.78 H new ATOM 0 HH21 ARG B 78 -3.414 13.028 -3.950 1.00 5.01 H new ATOM 0 HH22 ARG B 78 -2.695 13.816 -5.358 1.00 5.01 H new ATOM 2906 N LEU B 79 -4.491 6.803 -2.156 1.00 1.12 N ATOM 2907 CA LEU B 79 -5.941 6.766 -1.966 1.00 1.12 C ATOM 2908 C LEU B 79 -6.343 5.616 -1.040 1.00 1.03 C ATOM 2909 O LEU B 79 -7.112 5.847 -0.109 1.00 1.04 O ATOM 2910 CB LEU B 79 -6.714 6.707 -3.300 1.00 1.18 C ATOM 2911 CG LEU B 79 -6.993 8.040 -4.032 1.00 1.36 C ATOM 2912 CD1 LEU B 79 -6.421 9.309 -3.381 1.00 2.36 C ATOM 2913 CD2 LEU B 79 -6.501 7.961 -5.480 1.00 1.72 C ATOM 0 H LEU B 79 -4.189 6.565 -3.101 1.00 1.12 H new ATOM 0 HA LEU B 79 -6.220 7.705 -1.488 1.00 1.12 H new ATOM 0 HB2 LEU B 79 -6.159 6.061 -3.980 1.00 1.18 H new ATOM 0 HB3 LEU B 79 -7.672 6.222 -3.111 1.00 1.18 H new ATOM 0 HG LEU B 79 -8.076 8.149 -3.972 1.00 1.36 H new ATOM 0 HD11 LEU B 79 -6.682 10.177 -3.986 1.00 2.36 H new ATOM 0 HD12 LEU B 79 -6.838 9.425 -2.381 1.00 2.36 H new ATOM 0 HD13 LEU B 79 -5.336 9.226 -3.314 1.00 2.36 H new ATOM 0 HD21 LEU B 79 -6.703 8.906 -5.985 1.00 1.72 H new ATOM 0 HD22 LEU B 79 -5.429 7.766 -5.490 1.00 1.72 H new ATOM 0 HD23 LEU B 79 -7.021 7.155 -5.997 1.00 1.72 H new ATOM 2925 N ILE B 80 -5.856 4.383 -1.231 1.00 0.96 N ATOM 2926 CA ILE B 80 -6.164 3.368 -0.214 1.00 0.93 C ATOM 2927 C ILE B 80 -5.508 3.754 1.128 1.00 0.91 C ATOM 2928 O ILE B 80 -6.024 3.439 2.198 1.00 0.92 O ATOM 2929 CB ILE B 80 -5.907 1.916 -0.671 1.00 0.91 C ATOM 2930 CG1 ILE B 80 -4.465 1.492 -0.413 1.00 0.98 C ATOM 2931 CG2 ILE B 80 -6.279 1.721 -2.137 1.00 0.93 C ATOM 2932 CD1 ILE B 80 -4.137 0.024 -0.669 1.00 0.81 C ATOM 0 H ILE B 80 -5.287 4.077 -2.020 1.00 0.96 H new ATOM 0 HA ILE B 80 -7.242 3.368 -0.055 1.00 0.93 H new ATOM 0 HB ILE B 80 -6.552 1.272 -0.073 1.00 0.91 H new ATOM 0 HG12 ILE B 80 -3.812 2.102 -1.037 1.00 0.98 H new ATOM 0 HG13 ILE B 80 -4.221 1.721 0.624 1.00 0.98 H new ATOM 0 HG21 ILE B 80 -6.086 0.688 -2.427 1.00 0.93 H new ATOM 0 HG22 ILE B 80 -7.336 1.946 -2.277 1.00 0.93 H new ATOM 0 HG23 ILE B 80 -5.681 2.390 -2.756 1.00 0.93 H new ATOM 0 HD11 ILE B 80 -3.084 -0.157 -0.451 1.00 0.81 H new ATOM 0 HD12 ILE B 80 -4.754 -0.604 -0.026 1.00 0.81 H new ATOM 0 HD13 ILE B 80 -4.338 -0.217 -1.713 1.00 0.81 H new ATOM 2944 N GLY B 81 -4.389 4.483 1.083 1.00 0.93 N ATOM 2945 CA GLY B 81 -3.814 5.140 2.247 1.00 0.95 C ATOM 2946 C GLY B 81 -4.859 6.000 2.960 1.00 0.96 C ATOM 2947 O GLY B 81 -5.062 5.886 4.168 1.00 0.98 O ATOM 0 H GLY B 81 -3.856 4.631 0.226 1.00 0.93 H new ATOM 0 HA2 GLY B 81 -3.422 4.391 2.936 1.00 0.95 H new ATOM 0 HA3 GLY B 81 -2.973 5.762 1.940 1.00 0.95 H new ATOM 2951 N GLU B 82 -5.542 6.854 2.200 1.00 0.98 N ATOM 2952 CA GLU B 82 -6.640 7.667 2.686 1.00 1.00 C ATOM 2953 C GLU B 82 -7.783 6.783 3.199 1.00 1.00 C ATOM 2954 O GLU B 82 -8.335 7.053 4.266 1.00 1.07 O ATOM 2955 CB GLU B 82 -7.065 8.668 1.603 1.00 1.04 C ATOM 2956 CG GLU B 82 -5.951 9.695 1.327 1.00 1.07 C ATOM 2957 CD GLU B 82 -6.313 11.079 1.844 1.00 2.74 C ATOM 2958 OE1 GLU B 82 -6.178 11.300 3.069 1.00 4.13 O ATOM 2959 OE2 GLU B 82 -6.801 11.879 1.024 1.00 3.33 O ATOM 0 H GLU B 82 -5.339 6.998 1.211 1.00 0.98 H new ATOM 0 HA GLU B 82 -6.318 8.256 3.544 1.00 1.00 H new ATOM 0 HB2 GLU B 82 -7.306 8.133 0.684 1.00 1.04 H new ATOM 0 HB3 GLU B 82 -7.971 9.186 1.918 1.00 1.04 H new ATOM 0 HG2 GLU B 82 -5.026 9.362 1.798 1.00 1.07 H new ATOM 0 HG3 GLU B 82 -5.762 9.746 0.255 1.00 1.07 H new ATOM 2966 N LEU B 83 -8.088 5.680 2.509 1.00 0.94 N ATOM 2967 CA LEU B 83 -9.052 4.707 2.993 1.00 0.92 C ATOM 2968 C LEU B 83 -8.671 4.215 4.397 1.00 0.95 C ATOM 2969 O LEU B 83 -9.519 4.148 5.289 1.00 0.96 O ATOM 2970 CB LEU B 83 -9.230 3.577 1.974 1.00 0.90 C ATOM 2971 CG LEU B 83 -10.413 2.673 2.339 1.00 1.77 C ATOM 2972 CD1 LEU B 83 -11.154 2.240 1.071 1.00 1.82 C ATOM 2973 CD2 LEU B 83 -9.885 1.447 3.085 1.00 3.26 C ATOM 0 H LEU B 83 -7.674 5.444 1.607 1.00 0.94 H new ATOM 0 HA LEU B 83 -10.027 5.183 3.096 1.00 0.92 H new ATOM 0 HB2 LEU B 83 -9.387 4.001 0.982 1.00 0.90 H new ATOM 0 HB3 LEU B 83 -8.318 2.982 1.925 1.00 0.90 H new ATOM 0 HG LEU B 83 -11.110 3.218 2.976 1.00 1.77 H new ATOM 0 HD11 LEU B 83 -11.993 1.598 1.341 1.00 1.82 H new ATOM 0 HD12 LEU B 83 -11.525 3.121 0.548 1.00 1.82 H new ATOM 0 HD13 LEU B 83 -10.472 1.692 0.420 1.00 1.82 H new ATOM 0 HD21 LEU B 83 -10.718 0.796 3.350 1.00 3.26 H new ATOM 0 HD22 LEU B 83 -9.189 0.904 2.446 1.00 3.26 H new ATOM 0 HD23 LEU B 83 -9.371 1.766 3.992 1.00 3.26 H new ATOM 2985 N ALA B 84 -7.390 3.907 4.628 1.00 1.00 N ATOM 2986 CA ALA B 84 -6.909 3.561 5.962 1.00 1.08 C ATOM 2987 C ALA B 84 -7.107 4.681 7.000 1.00 1.12 C ATOM 2988 O ALA B 84 -7.080 4.393 8.196 1.00 1.25 O ATOM 2989 CB ALA B 84 -5.454 3.087 5.904 1.00 1.06 C ATOM 0 H ALA B 84 -6.670 3.891 3.905 1.00 1.00 H new ATOM 0 HA ALA B 84 -7.529 2.736 6.312 1.00 1.08 H new ATOM 0 HB1 ALA B 84 -5.114 2.834 6.908 1.00 1.06 H new ATOM 0 HB2 ALA B 84 -5.383 2.207 5.264 1.00 1.06 H new ATOM 0 HB3 ALA B 84 -4.828 3.882 5.498 1.00 1.06 H new ATOM 2995 N LYS B 85 -7.305 5.948 6.600 1.00 1.15 N ATOM 2996 CA LYS B 85 -7.748 7.008 7.512 1.00 1.28 C ATOM 2997 C LYS B 85 -9.257 6.865 7.750 1.00 1.22 C ATOM 2998 O LYS B 85 -9.701 6.771 8.897 1.00 1.32 O ATOM 2999 CB LYS B 85 -7.447 8.417 6.970 1.00 1.60 C ATOM 3000 CG LYS B 85 -5.989 8.637 6.549 1.00 1.07 C ATOM 3001 CD LYS B 85 -5.833 9.886 5.671 1.00 1.32 C ATOM 3002 CE LYS B 85 -5.930 11.243 6.380 1.00 1.93 C ATOM 3003 NZ LYS B 85 -7.328 11.687 6.554 1.00 2.96 N ATOM 0 H LYS B 85 -7.163 6.262 5.640 1.00 1.15 H new ATOM 0 HA LYS B 85 -7.195 6.895 8.444 1.00 1.28 H new ATOM 0 HB2 LYS B 85 -8.093 8.609 6.113 1.00 1.60 H new ATOM 0 HB3 LYS B 85 -7.706 9.150 7.734 1.00 1.60 H new ATOM 0 HG2 LYS B 85 -5.365 8.737 7.437 1.00 1.07 H new ATOM 0 HG3 LYS B 85 -5.632 7.763 6.005 1.00 1.07 H new ATOM 0 HD2 LYS B 85 -4.866 9.832 5.171 1.00 1.32 H new ATOM 0 HD3 LYS B 85 -6.596 9.853 4.894 1.00 1.32 H new ATOM 0 HE2 LYS B 85 -5.449 11.176 7.356 1.00 1.93 H new ATOM 0 HE3 LYS B 85 -5.383 11.990 5.805 1.00 1.93 H new ATOM 0 HZ1 LYS B 85 -7.343 12.694 6.814 1.00 2.96 H new ATOM 0 HZ2 LYS B 85 -7.849 11.552 5.664 1.00 2.96 H new ATOM 0 HZ3 LYS B 85 -7.779 11.128 7.307 1.00 2.96 H new ATOM 3017 N GLU B 86 -10.019 6.862 6.651 1.00 1.15 N ATOM 3018 CA GLU B 86 -11.471 6.732 6.585 1.00 1.12 C ATOM 3019 C GLU B 86 -11.977 5.612 7.505 1.00 1.10 C ATOM 3020 O GLU B 86 -12.466 5.904 8.602 1.00 1.21 O ATOM 3021 CB GLU B 86 -11.836 6.493 5.117 1.00 1.03 C ATOM 3022 CG GLU B 86 -11.696 7.782 4.295 1.00 1.06 C ATOM 3023 CD GLU B 86 -11.654 7.483 2.808 1.00 1.55 C ATOM 3024 OE1 GLU B 86 -12.287 6.496 2.376 1.00 3.01 O ATOM 3025 OE2 GLU B 86 -10.998 8.237 2.056 1.00 1.99 O ATOM 0 H GLU B 86 -9.605 6.957 5.723 1.00 1.15 H new ATOM 0 HA GLU B 86 -11.958 7.639 6.943 1.00 1.12 H new ATOM 0 HB2 GLU B 86 -11.190 5.720 4.700 1.00 1.03 H new ATOM 0 HB3 GLU B 86 -12.859 6.124 5.049 1.00 1.03 H new ATOM 0 HG2 GLU B 86 -12.532 8.447 4.511 1.00 1.06 H new ATOM 0 HG3 GLU B 86 -10.787 8.307 4.589 1.00 1.06 H new ATOM 3032 N ILE B 87 -11.880 4.346 7.087 1.00 1.04 N ATOM 3033 CA ILE B 87 -12.392 3.214 7.850 1.00 1.04 C ATOM 3034 C ILE B 87 -11.377 2.827 8.931 1.00 1.04 C ATOM 3035 O ILE B 87 -10.309 2.275 8.666 1.00 1.01 O ATOM 3036 CB ILE B 87 -12.807 2.041 6.933 1.00 1.07 C ATOM 3037 CG1 ILE B 87 -13.323 0.817 7.716 1.00 1.47 C ATOM 3038 CG2 ILE B 87 -11.710 1.571 5.969 1.00 1.15 C ATOM 3039 CD1 ILE B 87 -14.570 1.113 8.553 1.00 1.90 C ATOM 0 H ILE B 87 -11.441 4.081 6.205 1.00 1.04 H new ATOM 0 HA ILE B 87 -13.312 3.504 8.358 1.00 1.04 H new ATOM 0 HB ILE B 87 -13.618 2.467 6.342 1.00 1.07 H new ATOM 0 HG12 ILE B 87 -13.548 0.014 7.014 1.00 1.47 H new ATOM 0 HG13 ILE B 87 -12.532 0.455 8.372 1.00 1.47 H new ATOM 0 HG21 ILE B 87 -12.086 0.746 5.364 1.00 1.15 H new ATOM 0 HG22 ILE B 87 -11.420 2.396 5.318 1.00 1.15 H new ATOM 0 HG23 ILE B 87 -10.843 1.237 6.539 1.00 1.15 H new ATOM 0 HD11 ILE B 87 -14.879 0.209 9.077 1.00 1.90 H new ATOM 0 HD12 ILE B 87 -14.344 1.894 9.279 1.00 1.90 H new ATOM 0 HD13 ILE B 87 -15.376 1.447 7.900 1.00 1.90 H new ATOM 3051 N ARG B 88 -11.716 3.113 10.190 1.00 1.18 N ATOM 3052 CA ARG B 88 -10.822 2.884 11.311 1.00 1.25 C ATOM 3053 C ARG B 88 -10.911 1.409 11.703 1.00 1.20 C ATOM 3054 O ARG B 88 -11.644 1.036 12.614 1.00 1.48 O ATOM 3055 CB ARG B 88 -11.174 3.841 12.462 1.00 1.50 C ATOM 3056 CG ARG B 88 -10.984 5.312 12.042 1.00 2.01 C ATOM 3057 CD ARG B 88 -9.814 6.034 12.734 1.00 2.61 C ATOM 3058 NE ARG B 88 -8.546 5.281 12.747 1.00 3.87 N ATOM 3059 CZ ARG B 88 -7.766 5.004 11.688 1.00 5.27 C ATOM 3060 NH1 ARG B 88 -8.161 5.313 10.455 1.00 5.68 N ATOM 3061 NH2 ARG B 88 -6.582 4.405 11.858 1.00 6.88 N ATOM 0 H ARG B 88 -12.618 3.509 10.454 1.00 1.18 H new ATOM 0 HA ARG B 88 -9.787 3.096 11.044 1.00 1.25 H new ATOM 0 HB2 ARG B 88 -12.207 3.679 12.770 1.00 1.50 H new ATOM 0 HB3 ARG B 88 -10.545 3.622 13.325 1.00 1.50 H new ATOM 0 HG2 ARG B 88 -10.830 5.350 10.964 1.00 2.01 H new ATOM 0 HG3 ARG B 88 -11.904 5.857 12.252 1.00 2.01 H new ATOM 0 HD2 ARG B 88 -9.648 6.989 12.235 1.00 2.61 H new ATOM 0 HD3 ARG B 88 -10.099 6.256 13.762 1.00 2.61 H new ATOM 0 HE ARG B 88 -8.228 4.935 13.652 1.00 3.87 H new ATOM 0 HH11 ARG B 88 -9.064 5.765 10.307 1.00 5.68 H new ATOM 0 HH12 ARG B 88 -7.561 5.098 9.658 1.00 5.68 H new ATOM 0 HH21 ARG B 88 -6.266 4.156 12.795 1.00 6.88 H new ATOM 0 HH22 ARG B 88 -5.995 4.197 11.050 1.00 6.88 H new ATOM 3075 N LYS B 89 -10.144 0.580 10.990 1.00 1.05 N ATOM 3076 CA LYS B 89 -10.011 -0.860 11.197 1.00 1.03 C ATOM 3077 C LYS B 89 -9.735 -1.249 12.659 1.00 1.32 C ATOM 3078 O LYS B 89 -10.149 -2.324 13.091 1.00 1.32 O ATOM 3079 CB LYS B 89 -8.885 -1.383 10.292 1.00 1.47 C ATOM 3080 CG LYS B 89 -9.316 -1.504 8.823 1.00 1.48 C ATOM 3081 CD LYS B 89 -8.095 -1.809 7.940 1.00 1.50 C ATOM 3082 CE LYS B 89 -8.457 -2.534 6.635 1.00 2.24 C ATOM 3083 NZ LYS B 89 -8.799 -3.959 6.835 1.00 3.65 N ATOM 0 H LYS B 89 -9.571 0.914 10.215 1.00 1.05 H new ATOM 0 HA LYS B 89 -10.967 -1.317 10.941 1.00 1.03 H new ATOM 0 HB2 LYS B 89 -8.028 -0.713 10.361 1.00 1.47 H new ATOM 0 HB3 LYS B 89 -8.558 -2.358 10.652 1.00 1.47 H new ATOM 0 HG2 LYS B 89 -10.058 -2.295 8.717 1.00 1.48 H new ATOM 0 HG3 LYS B 89 -9.789 -0.578 8.497 1.00 1.48 H new ATOM 0 HD2 LYS B 89 -7.586 -0.875 7.700 1.00 1.50 H new ATOM 0 HD3 LYS B 89 -7.391 -2.420 8.504 1.00 1.50 H new ATOM 0 HE2 LYS B 89 -9.301 -2.027 6.167 1.00 2.24 H new ATOM 0 HE3 LYS B 89 -7.618 -2.462 5.942 1.00 2.24 H new ATOM 0 HZ1 LYS B 89 -9.179 -4.352 5.950 1.00 3.65 H new ATOM 0 HZ2 LYS B 89 -7.945 -4.486 7.110 1.00 3.65 H new ATOM 0 HZ3 LYS B 89 -9.514 -4.042 7.586 1.00 3.65 H new ATOM 3097 N LYS B 90 -9.006 -0.408 13.406 1.00 1.75 N ATOM 3098 CA LYS B 90 -8.548 -0.640 14.779 1.00 2.26 C ATOM 3099 C LYS B 90 -7.458 -1.716 14.815 1.00 1.84 C ATOM 3100 O LYS B 90 -6.310 -1.424 15.143 1.00 2.42 O ATOM 3101 CB LYS B 90 -9.691 -1.002 15.750 1.00 3.94 C ATOM 3102 CG LYS B 90 -10.810 0.047 15.823 1.00 4.99 C ATOM 3103 CD LYS B 90 -12.149 -0.579 16.243 1.00 6.83 C ATOM 3104 CE LYS B 90 -12.795 -1.359 15.082 1.00 7.75 C ATOM 3105 NZ LYS B 90 -14.071 -1.995 15.470 1.00 9.44 N ATOM 0 H LYS B 90 -8.705 0.499 13.048 1.00 1.75 H new ATOM 0 HA LYS B 90 -8.132 0.307 15.124 1.00 2.26 H new ATOM 0 HB2 LYS B 90 -10.122 -1.956 15.447 1.00 3.94 H new ATOM 0 HB3 LYS B 90 -9.275 -1.143 16.747 1.00 3.94 H new ATOM 0 HG2 LYS B 90 -10.533 0.825 16.534 1.00 4.99 H new ATOM 0 HG3 LYS B 90 -10.922 0.528 14.851 1.00 4.99 H new ATOM 0 HD2 LYS B 90 -11.990 -1.248 17.089 1.00 6.83 H new ATOM 0 HD3 LYS B 90 -12.829 0.204 16.580 1.00 6.83 H new ATOM 0 HE2 LYS B 90 -12.970 -0.682 14.246 1.00 7.75 H new ATOM 0 HE3 LYS B 90 -12.102 -2.125 14.733 1.00 7.75 H new ATOM 0 HZ1 LYS B 90 -14.466 -2.507 14.655 1.00 9.44 H new ATOM 0 HZ2 LYS B 90 -13.903 -2.662 16.250 1.00 9.44 H new ATOM 0 HZ3 LYS B 90 -14.744 -1.264 15.778 1.00 9.44 H new ATOM 3119 N LYS B 91 -7.843 -2.956 14.509 1.00 2.08 N ATOM 3120 CA LYS B 91 -7.031 -4.158 14.632 1.00 3.28 C ATOM 3121 C LYS B 91 -7.848 -5.328 14.093 1.00 3.21 C ATOM 3122 O LYS B 91 -7.448 -6.001 13.150 1.00 3.93 O ATOM 3123 CB LYS B 91 -6.658 -4.392 16.111 1.00 4.46 C ATOM 3124 CG LYS B 91 -6.053 -5.781 16.381 1.00 6.15 C ATOM 3125 CD LYS B 91 -5.770 -5.935 17.881 1.00 7.21 C ATOM 3126 CE LYS B 91 -5.519 -7.392 18.296 1.00 8.84 C ATOM 3127 NZ LYS B 91 -6.740 -8.224 18.199 1.00 9.08 N ATOM 0 H LYS B 91 -8.777 -3.154 14.151 1.00 2.08 H new ATOM 0 HA LYS B 91 -6.105 -4.057 14.066 1.00 3.28 H new ATOM 0 HB2 LYS B 91 -5.946 -3.628 16.423 1.00 4.46 H new ATOM 0 HB3 LYS B 91 -7.549 -4.267 16.726 1.00 4.46 H new ATOM 0 HG2 LYS B 91 -6.740 -6.559 16.048 1.00 6.15 H new ATOM 0 HG3 LYS B 91 -5.132 -5.905 15.812 1.00 6.15 H new ATOM 0 HD2 LYS B 91 -4.901 -5.333 18.145 1.00 7.21 H new ATOM 0 HD3 LYS B 91 -6.614 -5.542 18.447 1.00 7.21 H new ATOM 0 HE2 LYS B 91 -4.741 -7.818 17.663 1.00 8.84 H new ATOM 0 HE3 LYS B 91 -5.146 -7.416 19.320 1.00 8.84 H new ATOM 0 HZ1 LYS B 91 -6.596 -9.113 18.719 1.00 9.08 H new ATOM 0 HZ2 LYS B 91 -7.545 -7.709 18.610 1.00 9.08 H new ATOM 0 HZ3 LYS B 91 -6.938 -8.435 17.200 1.00 9.08 H new ATOM 3141 N ASP B 92 -9.002 -5.581 14.713 1.00 2.86 N ATOM 3142 CA ASP B 92 -9.780 -6.783 14.474 1.00 3.07 C ATOM 3143 C ASP B 92 -10.843 -6.444 13.442 1.00 2.11 C ATOM 3144 O ASP B 92 -12.042 -6.567 13.690 1.00 2.30 O ATOM 3145 CB ASP B 92 -10.344 -7.319 15.798 1.00 4.12 C ATOM 3146 CG ASP B 92 -9.226 -7.765 16.725 1.00 5.73 C ATOM 3147 OD1 ASP B 92 -8.453 -8.671 16.337 1.00 7.22 O ATOM 3148 OD2 ASP B 92 -9.060 -7.171 17.813 1.00 5.96 O ATOM 0 H ASP B 92 -9.419 -4.950 15.397 1.00 2.86 H new ATOM 0 HA ASP B 92 -9.169 -7.592 14.073 1.00 3.07 H new ATOM 0 HB2 ASP B 92 -10.938 -6.545 16.284 1.00 4.12 H new ATOM 0 HB3 ASP B 92 -11.013 -8.156 15.600 1.00 4.12 H new ATOM 3153 N LEU B 93 -10.376 -6.022 12.265 1.00 1.45 N ATOM 3154 CA LEU B 93 -11.237 -5.708 11.134 1.00 0.96 C ATOM 3155 C LEU B 93 -12.237 -6.827 10.869 1.00 0.87 C ATOM 3156 O LEU B 93 -13.396 -6.548 10.580 1.00 0.99 O ATOM 3157 CB LEU B 93 -10.443 -5.318 9.871 1.00 1.61 C ATOM 3158 CG LEU B 93 -9.087 -5.999 9.572 1.00 1.32 C ATOM 3159 CD1 LEU B 93 -7.922 -5.212 10.187 1.00 2.01 C ATOM 3160 CD2 LEU B 93 -8.970 -7.496 9.883 1.00 2.28 C ATOM 0 H LEU B 93 -9.383 -5.889 12.074 1.00 1.45 H new ATOM 0 HA LEU B 93 -11.809 -4.822 11.409 1.00 0.96 H new ATOM 0 HB2 LEU B 93 -11.091 -5.495 9.013 1.00 1.61 H new ATOM 0 HB3 LEU B 93 -10.263 -4.244 9.919 1.00 1.61 H new ATOM 0 HG LEU B 93 -9.031 -5.968 8.484 1.00 1.32 H new ATOM 0 HD11 LEU B 93 -6.982 -5.716 9.960 1.00 2.01 H new ATOM 0 HD12 LEU B 93 -7.904 -4.205 9.771 1.00 2.01 H new ATOM 0 HD13 LEU B 93 -8.051 -5.156 11.268 1.00 2.01 H new ATOM 0 HD21 LEU B 93 -7.969 -7.844 9.626 1.00 2.28 H new ATOM 0 HD22 LEU B 93 -9.150 -7.662 10.945 1.00 2.28 H new ATOM 0 HD23 LEU B 93 -9.707 -8.048 9.299 1.00 2.28 H new ATOM 3172 N LYS B 94 -11.826 -8.075 11.100 1.00 1.06 N ATOM 3173 CA LYS B 94 -12.650 -9.253 10.926 1.00 1.18 C ATOM 3174 C LYS B 94 -13.966 -9.239 11.704 1.00 1.18 C ATOM 3175 O LYS B 94 -14.860 -10.022 11.397 1.00 1.32 O ATOM 3176 CB LYS B 94 -11.841 -10.509 11.214 1.00 1.60 C ATOM 3177 CG LYS B 94 -11.286 -10.571 12.642 1.00 2.48 C ATOM 3178 CD LYS B 94 -11.805 -11.845 13.317 1.00 3.85 C ATOM 3179 CE LYS B 94 -11.102 -12.071 14.661 1.00 5.16 C ATOM 3180 NZ LYS B 94 -11.193 -13.482 15.080 1.00 6.52 N ATOM 0 H LYS B 94 -10.883 -8.291 11.422 1.00 1.06 H new ATOM 0 HA LYS B 94 -12.957 -9.249 9.880 1.00 1.18 H new ATOM 0 HB2 LYS B 94 -12.469 -11.383 11.039 1.00 1.60 H new ATOM 0 HB3 LYS B 94 -11.012 -10.566 10.509 1.00 1.60 H new ATOM 0 HG2 LYS B 94 -10.196 -10.570 12.624 1.00 2.48 H new ATOM 0 HG3 LYS B 94 -11.596 -9.691 13.206 1.00 2.48 H new ATOM 0 HD2 LYS B 94 -12.881 -11.768 13.472 1.00 3.85 H new ATOM 0 HD3 LYS B 94 -11.638 -12.702 12.665 1.00 3.85 H new ATOM 0 HE2 LYS B 94 -10.055 -11.780 14.580 1.00 5.16 H new ATOM 0 HE3 LYS B 94 -11.552 -11.433 15.422 1.00 5.16 H new ATOM 0 HZ1 LYS B 94 -10.709 -13.605 15.992 1.00 6.52 H new ATOM 0 HZ2 LYS B 94 -12.193 -13.751 15.180 1.00 6.52 H new ATOM 0 HZ3 LYS B 94 -10.742 -14.087 14.364 1.00 6.52 H new ATOM 3194 N ILE B 95 -14.093 -8.401 12.736 1.00 1.22 N ATOM 3195 CA ILE B 95 -15.367 -8.204 13.417 1.00 1.45 C ATOM 3196 C ILE B 95 -16.428 -7.636 12.453 1.00 1.53 C ATOM 3197 O ILE B 95 -17.624 -7.772 12.714 1.00 1.86 O ATOM 3198 CB ILE B 95 -15.140 -7.326 14.666 1.00 1.63 C ATOM 3199 CG1 ILE B 95 -14.164 -7.980 15.669 1.00 2.21 C ATOM 3200 CG2 ILE B 95 -16.442 -6.955 15.385 1.00 2.54 C ATOM 3201 CD1 ILE B 95 -14.698 -9.231 16.376 1.00 2.73 C ATOM 0 H ILE B 95 -13.325 -7.848 13.116 1.00 1.22 H new ATOM 0 HA ILE B 95 -15.764 -9.161 13.755 1.00 1.45 H new ATOM 0 HB ILE B 95 -14.693 -6.407 14.287 1.00 1.63 H new ATOM 0 HG12 ILE B 95 -13.248 -8.244 15.141 1.00 2.21 H new ATOM 0 HG13 ILE B 95 -13.895 -7.242 16.424 1.00 2.21 H new ATOM 0 HG21 ILE B 95 -16.215 -6.338 16.254 1.00 2.54 H new ATOM 0 HG22 ILE B 95 -17.088 -6.400 14.705 1.00 2.54 H new ATOM 0 HG23 ILE B 95 -16.951 -7.863 15.708 1.00 2.54 H new ATOM 0 HD11 ILE B 95 -13.940 -9.615 17.058 1.00 2.73 H new ATOM 0 HD12 ILE B 95 -15.596 -8.976 16.938 1.00 2.73 H new ATOM 0 HD13 ILE B 95 -14.938 -9.993 15.635 1.00 2.73 H new ATOM 3213 N ARG B 96 -16.006 -7.023 11.340 1.00 1.35 N ATOM 3214 CA ARG B 96 -16.815 -6.457 10.264 1.00 1.60 C ATOM 3215 C ARG B 96 -17.534 -5.187 10.725 1.00 2.03 C ATOM 3216 O ARG B 96 -17.268 -4.090 10.236 1.00 2.92 O ATOM 3217 CB ARG B 96 -17.799 -7.477 9.680 1.00 1.94 C ATOM 3218 CG ARG B 96 -17.063 -8.691 9.108 1.00 1.74 C ATOM 3219 CD ARG B 96 -17.405 -10.008 9.815 1.00 2.65 C ATOM 3220 NE ARG B 96 -18.734 -10.501 9.426 1.00 2.96 N ATOM 3221 CZ ARG B 96 -19.103 -11.789 9.310 1.00 3.74 C ATOM 3222 NH1 ARG B 96 -18.234 -12.789 9.503 1.00 4.53 N ATOM 3223 NH2 ARG B 96 -20.371 -12.076 8.989 1.00 4.67 N ATOM 0 H ARG B 96 -15.010 -6.903 11.158 1.00 1.35 H new ATOM 0 HA ARG B 96 -16.132 -6.184 9.460 1.00 1.60 H new ATOM 0 HB2 ARG B 96 -18.493 -7.801 10.455 1.00 1.94 H new ATOM 0 HB3 ARG B 96 -18.393 -7.006 8.897 1.00 1.94 H new ATOM 0 HG2 ARG B 96 -17.303 -8.784 8.049 1.00 1.74 H new ATOM 0 HG3 ARG B 96 -15.989 -8.520 9.178 1.00 1.74 H new ATOM 0 HD2 ARG B 96 -16.652 -10.758 9.572 1.00 2.65 H new ATOM 0 HD3 ARG B 96 -17.372 -9.861 10.895 1.00 2.65 H new ATOM 0 HE ARG B 96 -19.445 -9.798 9.225 1.00 2.96 H new ATOM 0 HH11 ARG B 96 -17.265 -12.583 9.745 1.00 4.53 H new ATOM 0 HH12 ARG B 96 -18.541 -13.757 9.409 1.00 4.53 H new ATOM 0 HH21 ARG B 96 -21.041 -11.323 8.836 1.00 4.67 H new ATOM 0 HH22 ARG B 96 -20.666 -13.048 8.897 1.00 4.67 H new