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 36 ASN : amide:sc= 1.46 K(o=4,f=-9.5!) USER MOD Set 1.2: B 39 LYS NZ :NH3+ -145:sc= 2.23 (180deg=0.0253) USER MOD Set 1.3: B 67 GLN : amide:sc= 0.321 K(o=4,f=-9.5!) USER MOD Set 2.1: A 55 SER OG : rot 180:sc= 1.03 USER MOD Set 2.2: A 85 LYS NZ :NH3+ 174:sc= 1.22 (180deg=-0.0264) USER MOD Set 3.1: A 66 ASN : amide:sc= 1.33 K(o=1.8,f=1) USER MOD Set 3.2: A 69 SER OG : rot 180:sc= 0.519 USER MOD Set 4.1: A 36 ASN : amide:sc= 0.925 K(o=0.64,f=-0.43) USER MOD Set 4.2: A 67 GLN : amide:sc= -0.289! K(o=0.64!,f=-0.43) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0885 USER MOD Single : A 12 SER OG : rot 150:sc= 0 USER MOD Single : A 15 THR OG1 : rot 72:sc= 1.11 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 67:sc= 1.23 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -78:sc= 0.896 USER MOD Single : A 34 SER OG : rot 80:sc= 1.25 USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= 1.19 (180deg=0.981) USER MOD Single : A 43 THR OG1 : rot 80:sc= 0.503 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.5!) USER MOD Single : A 48 HIS : no HD1:sc= -0.0961 X(o=-0.096,f=0.0016) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= -0.0819 (180deg=-0.123) USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= -1.14! (180deg=-1.54!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -133:sc= 0.83 (180deg=-3.72!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 1.93 (180deg=1.77) USER MOD Single : A 74 ASN : amide:sc= 0.703 K(o=0.7,f=-2.3!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -168:sc=-0.00869 (180deg=-1.14!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= -0.341! (180deg=-2.35!) USER MOD Single : B 7 THR OG1 : rot 95:sc= 1.19 USER MOD Single : B 12 SER OG : rot 150:sc= 0 USER MOD Single : B 15 THR OG1 : rot 108:sc= 0.0378 USER MOD Single : B 18 THR OG1 : rot 87:sc= 0.833 USER MOD Single : B 19 THR OG1 : rot 82:sc= 1.2 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ -172:sc= 1.09 (180deg=0.845) USER MOD Single : B 32 SER OG : rot 40:sc= 0.576 USER MOD Single : B 34 SER OG : rot 91:sc= 1.21 USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : B 45 GLN : amide:sc= -0.16 K(o=-0.16,f=-0.68) USER MOD Single : B 48 HIS : no HE2:sc= 0.785 K(o=0.79,f=-4.5!) USER MOD Single : B 51 LYS NZ :NH3+ 163:sc= 1.19! (180deg=0.132) USER MOD Single : B 55 SER OG : rot -52:sc= 1.31 USER MOD Single : B 59 LYS NZ :NH3+ -130:sc= -0.259 (180deg=-1.45) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.409) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= 1.11 K(o=1.1,f=-0.074) USER MOD Single : B 69 SER OG : rot 180:sc= -0.179 USER MOD Single : B 72 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.132) USER MOD Single : B 74 ASN : amide:sc= -1.28 K(o=-1.3,f=-8.2!) USER MOD Single : B 76 TYR OH : rot 30:sc= 0 USER MOD Single : B 85 LYS NZ :NH3+ -119:sc= 0.804 (180deg=0.2) USER MOD Single : B 89 LYS NZ :NH3+ 153:sc= -1.75 (180deg=-5.56!) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 LYS NZ :NH3+ -162:sc= 1.07 (180deg=-0.71!) USER MOD Single : B 94 LYS NZ :NH3+ 137:sc= 1.24 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -13.289 -13.310 8.356 1.00 1.44 N ATOM 41 CA GLU A 4 -14.510 -12.631 7.938 1.00 1.19 C ATOM 42 C GLU A 4 -14.661 -12.840 6.424 1.00 1.15 C ATOM 43 O GLU A 4 -13.755 -13.405 5.808 1.00 1.11 O ATOM 44 CB GLU A 4 -14.383 -11.161 8.327 1.00 1.10 C ATOM 45 CG GLU A 4 -13.320 -10.367 7.569 1.00 1.63 C ATOM 46 CD GLU A 4 -13.247 -8.947 8.109 1.00 3.12 C ATOM 47 OE1 GLU A 4 -14.289 -8.265 8.005 1.00 4.30 O ATOM 48 OE2 GLU A 4 -12.188 -8.609 8.681 1.00 3.71 O ATOM 0 HA GLU A 4 -15.404 -13.024 8.421 1.00 1.19 H new ATOM 0 HB2 GLU A 4 -15.349 -10.679 8.175 1.00 1.10 H new ATOM 0 HB3 GLU A 4 -14.163 -11.103 9.393 1.00 1.10 H new ATOM 0 HG2 GLU A 4 -12.350 -10.854 7.670 1.00 1.63 H new ATOM 0 HG3 GLU A 4 -13.558 -10.349 6.505 1.00 1.63 H new ATOM 55 N PRO A 5 -15.754 -12.404 5.779 1.00 1.34 N ATOM 56 CA PRO A 5 -15.898 -12.554 4.345 1.00 1.43 C ATOM 57 C PRO A 5 -15.141 -11.407 3.666 1.00 1.37 C ATOM 58 O PRO A 5 -15.742 -10.582 2.979 1.00 1.64 O ATOM 59 CB PRO A 5 -17.409 -12.533 4.112 1.00 1.82 C ATOM 60 CG PRO A 5 -17.915 -11.569 5.184 1.00 1.92 C ATOM 61 CD PRO A 5 -16.873 -11.643 6.309 1.00 1.54 C ATOM 0 HA PRO A 5 -15.480 -13.470 3.928 1.00 1.43 H new ATOM 0 HB2 PRO A 5 -17.657 -12.186 3.109 1.00 1.82 H new ATOM 0 HB3 PRO A 5 -17.847 -13.525 4.223 1.00 1.82 H new ATOM 0 HG2 PRO A 5 -18.003 -10.555 4.793 1.00 1.92 H new ATOM 0 HG3 PRO A 5 -18.903 -11.859 5.541 1.00 1.92 H new ATOM 0 HD2 PRO A 5 -16.556 -10.645 6.612 1.00 1.54 H new ATOM 0 HD3 PRO A 5 -17.289 -12.127 7.193 1.00 1.54 H new ATOM 69 N LEU A 6 -13.820 -11.378 3.869 1.00 1.16 N ATOM 70 CA LEU A 6 -12.932 -10.363 3.315 1.00 1.19 C ATOM 71 C LEU A 6 -12.578 -10.663 1.856 1.00 1.20 C ATOM 72 O LEU A 6 -13.068 -11.626 1.263 1.00 1.63 O ATOM 73 CB LEU A 6 -11.683 -10.172 4.200 1.00 1.15 C ATOM 74 CG LEU A 6 -10.904 -11.438 4.603 1.00 1.20 C ATOM 75 CD1 LEU A 6 -10.398 -12.248 3.404 1.00 2.20 C ATOM 76 CD2 LEU A 6 -9.704 -11.014 5.458 1.00 1.77 C ATOM 0 H LEU A 6 -13.334 -12.074 4.434 1.00 1.16 H new ATOM 0 HA LEU A 6 -13.466 -9.413 3.314 1.00 1.19 H new ATOM 0 HB2 LEU A 6 -10.997 -9.506 3.677 1.00 1.15 H new ATOM 0 HB3 LEU A 6 -11.991 -9.660 5.112 1.00 1.15 H new ATOM 0 HG LEU A 6 -11.590 -12.082 5.153 1.00 1.20 H new ATOM 0 HD11 LEU A 6 -9.858 -13.126 3.760 1.00 2.20 H new ATOM 0 HD12 LEU A 6 -11.245 -12.565 2.795 1.00 2.20 H new ATOM 0 HD13 LEU A 6 -9.730 -11.630 2.803 1.00 2.20 H new ATOM 0 HD21 LEU A 6 -9.138 -11.897 5.754 1.00 1.77 H new ATOM 0 HD22 LEU A 6 -9.062 -10.349 4.880 1.00 1.77 H new ATOM 0 HD23 LEU A 6 -10.057 -10.494 6.348 1.00 1.77 H new ATOM 88 N THR A 7 -11.801 -9.782 1.225 1.00 0.96 N ATOM 89 CA THR A 7 -11.411 -9.891 -0.175 1.00 0.98 C ATOM 90 C THR A 7 -9.989 -9.341 -0.320 1.00 1.01 C ATOM 91 O THR A 7 -9.584 -8.492 0.474 1.00 1.14 O ATOM 92 CB THR A 7 -12.454 -9.151 -1.030 1.00 1.14 C ATOM 93 OG1 THR A 7 -13.748 -9.627 -0.705 1.00 1.54 O ATOM 94 CG2 THR A 7 -12.253 -9.364 -2.531 1.00 1.31 C ATOM 0 H THR A 7 -11.419 -8.956 1.686 1.00 0.96 H new ATOM 0 HA THR A 7 -11.392 -10.923 -0.525 1.00 0.98 H new ATOM 0 HB THR A 7 -12.338 -8.089 -0.812 1.00 1.14 H new ATOM 0 HG1 THR A 7 -14.415 -9.156 -1.247 1.00 1.54 H new ATOM 0 HG21 THR A 7 -13.019 -8.818 -3.082 1.00 1.31 H new ATOM 0 HG22 THR A 7 -11.268 -9.000 -2.821 1.00 1.31 H new ATOM 0 HG23 THR A 7 -12.329 -10.427 -2.761 1.00 1.31 H new ATOM 102 N GLU A 8 -9.233 -9.846 -1.301 1.00 0.97 N ATOM 103 CA GLU A 8 -7.796 -9.658 -1.468 1.00 0.98 C ATOM 104 C GLU A 8 -7.366 -8.204 -1.266 1.00 0.93 C ATOM 105 O GLU A 8 -6.380 -7.921 -0.585 1.00 0.98 O ATOM 106 CB GLU A 8 -7.356 -10.154 -2.858 1.00 1.01 C ATOM 107 CG GLU A 8 -7.678 -11.636 -3.111 1.00 1.17 C ATOM 108 CD GLU A 8 -9.001 -11.853 -3.838 1.00 1.97 C ATOM 109 OE1 GLU A 8 -10.039 -11.514 -3.229 1.00 3.05 O ATOM 110 OE2 GLU A 8 -8.951 -12.338 -4.987 1.00 2.41 O ATOM 0 H GLU A 8 -9.633 -10.428 -2.037 1.00 0.97 H new ATOM 0 HA GLU A 8 -7.303 -10.247 -0.695 1.00 0.98 H new ATOM 0 HB2 GLU A 8 -7.844 -9.549 -3.622 1.00 1.01 H new ATOM 0 HB3 GLU A 8 -6.282 -10.000 -2.967 1.00 1.01 H new ATOM 0 HG2 GLU A 8 -6.873 -12.080 -3.697 1.00 1.17 H new ATOM 0 HG3 GLU A 8 -7.706 -12.162 -2.157 1.00 1.17 H new ATOM 117 N LEU A 9 -8.097 -7.269 -1.878 1.00 0.88 N ATOM 118 CA LEU A 9 -7.759 -5.859 -1.796 1.00 0.88 C ATOM 119 C LEU A 9 -7.753 -5.417 -0.332 1.00 0.93 C ATOM 120 O LEU A 9 -6.719 -4.937 0.142 1.00 0.94 O ATOM 121 CB LEU A 9 -8.723 -5.026 -2.648 1.00 0.89 C ATOM 122 CG LEU A 9 -8.479 -5.032 -4.170 1.00 0.82 C ATOM 123 CD1 LEU A 9 -7.148 -4.372 -4.546 1.00 1.80 C ATOM 124 CD2 LEU A 9 -8.572 -6.432 -4.789 1.00 1.64 C ATOM 0 H LEU A 9 -8.927 -7.471 -2.435 1.00 0.88 H new ATOM 0 HA LEU A 9 -6.759 -5.698 -2.198 1.00 0.88 H new ATOM 0 HB2 LEU A 9 -9.736 -5.383 -2.464 1.00 0.89 H new ATOM 0 HB3 LEU A 9 -8.681 -3.994 -2.300 1.00 0.89 H new ATOM 0 HG LEU A 9 -9.288 -4.436 -4.592 1.00 0.82 H new ATOM 0 HD11 LEU A 9 -7.021 -4.400 -5.628 1.00 1.80 H new ATOM 0 HD12 LEU A 9 -7.147 -3.336 -4.208 1.00 1.80 H new ATOM 0 HD13 LEU A 9 -6.328 -4.910 -4.070 1.00 1.80 H new ATOM 0 HD21 LEU A 9 -8.391 -6.368 -5.862 1.00 1.64 H new ATOM 0 HD22 LEU A 9 -7.825 -7.082 -4.333 1.00 1.64 H new ATOM 0 HD23 LEU A 9 -9.566 -6.842 -4.613 1.00 1.64 H new ATOM 136 N GLU A 10 -8.871 -5.603 0.393 1.00 0.98 N ATOM 137 CA GLU A 10 -8.863 -5.264 1.813 1.00 1.03 C ATOM 138 C GLU A 10 -7.796 -6.073 2.534 1.00 0.97 C ATOM 139 O GLU A 10 -6.918 -5.481 3.148 1.00 0.92 O ATOM 140 CB GLU A 10 -10.241 -5.224 2.497 1.00 1.43 C ATOM 141 CG GLU A 10 -10.943 -6.533 2.861 1.00 1.35 C ATOM 142 CD GLU A 10 -12.160 -6.299 3.767 1.00 2.33 C ATOM 143 OE1 GLU A 10 -12.521 -5.128 4.034 1.00 2.90 O ATOM 144 OE2 GLU A 10 -12.761 -7.316 4.153 1.00 3.63 O ATOM 0 H GLU A 10 -9.752 -5.970 0.033 1.00 0.98 H new ATOM 0 HA GLU A 10 -8.580 -4.214 1.890 1.00 1.03 H new ATOM 0 HB2 GLU A 10 -10.133 -4.646 3.415 1.00 1.43 H new ATOM 0 HB3 GLU A 10 -10.912 -4.664 1.845 1.00 1.43 H new ATOM 0 HG2 GLU A 10 -11.261 -7.040 1.950 1.00 1.35 H new ATOM 0 HG3 GLU A 10 -10.238 -7.195 3.364 1.00 1.35 H new ATOM 151 N GLU A 11 -7.794 -7.400 2.388 1.00 1.10 N ATOM 152 CA GLU A 11 -6.825 -8.294 3.017 1.00 1.16 C ATOM 153 C GLU A 11 -5.391 -7.746 2.935 1.00 0.99 C ATOM 154 O GLU A 11 -4.626 -7.807 3.903 1.00 0.96 O ATOM 155 CB GLU A 11 -6.937 -9.684 2.379 1.00 1.29 C ATOM 156 CG GLU A 11 -6.220 -10.765 3.196 1.00 1.37 C ATOM 157 CD GLU A 11 -6.401 -12.138 2.565 1.00 2.33 C ATOM 158 OE1 GLU A 11 -6.043 -12.259 1.374 1.00 2.77 O ATOM 159 OE2 GLU A 11 -6.898 -13.034 3.280 1.00 3.49 O ATOM 0 H GLU A 11 -8.481 -7.891 1.817 1.00 1.10 H new ATOM 0 HA GLU A 11 -7.057 -8.367 4.080 1.00 1.16 H new ATOM 0 HB2 GLU A 11 -7.989 -9.949 2.276 1.00 1.29 H new ATOM 0 HB3 GLU A 11 -6.516 -9.654 1.374 1.00 1.29 H new ATOM 0 HG2 GLU A 11 -5.158 -10.530 3.264 1.00 1.37 H new ATOM 0 HG3 GLU A 11 -6.610 -10.775 4.214 1.00 1.37 H new ATOM 166 N SER A 12 -5.019 -7.165 1.791 1.00 0.92 N ATOM 167 CA SER A 12 -3.679 -6.632 1.619 1.00 0.87 C ATOM 168 C SER A 12 -3.477 -5.425 2.539 1.00 0.74 C ATOM 169 O SER A 12 -2.458 -5.285 3.218 1.00 0.79 O ATOM 170 CB SER A 12 -3.473 -6.271 0.144 1.00 0.90 C ATOM 171 OG SER A 12 -2.108 -6.013 -0.112 1.00 1.47 O ATOM 0 H SER A 12 -5.627 -7.056 0.980 1.00 0.92 H new ATOM 0 HA SER A 12 -2.934 -7.378 1.895 1.00 0.87 H new ATOM 0 HB2 SER A 12 -3.821 -7.087 -0.489 1.00 0.90 H new ATOM 0 HB3 SER A 12 -4.069 -5.395 -0.110 1.00 0.90 H new ATOM 0 HG SER A 12 -1.898 -6.254 -1.038 1.00 1.47 H new ATOM 177 N ILE A 13 -4.481 -4.553 2.585 1.00 0.65 N ATOM 178 CA ILE A 13 -4.457 -3.370 3.421 1.00 0.57 C ATOM 179 C ILE A 13 -4.412 -3.796 4.892 1.00 0.59 C ATOM 180 O ILE A 13 -3.617 -3.259 5.665 1.00 0.58 O ATOM 181 CB ILE A 13 -5.660 -2.471 3.070 1.00 0.65 C ATOM 182 CG1 ILE A 13 -5.553 -2.018 1.604 1.00 0.78 C ATOM 183 CG2 ILE A 13 -5.818 -1.227 3.959 1.00 0.66 C ATOM 184 CD1 ILE A 13 -6.927 -1.719 1.030 1.00 0.67 C ATOM 0 H ILE A 13 -5.336 -4.654 2.038 1.00 0.65 H new ATOM 0 HA ILE A 13 -3.563 -2.774 3.240 1.00 0.57 H new ATOM 0 HB ILE A 13 -6.543 -3.087 3.244 1.00 0.65 H new ATOM 0 HG12 ILE A 13 -4.925 -1.129 1.538 1.00 0.78 H new ATOM 0 HG13 ILE A 13 -5.068 -2.795 1.013 1.00 0.78 H new ATOM 0 HG21 ILE A 13 -6.690 -0.658 3.636 1.00 0.66 H new ATOM 0 HG22 ILE A 13 -5.949 -1.535 4.996 1.00 0.66 H new ATOM 0 HG23 ILE A 13 -4.927 -0.605 3.876 1.00 0.66 H new ATOM 0 HD11 ILE A 13 -6.826 -1.400 -0.008 1.00 0.67 H new ATOM 0 HD12 ILE A 13 -7.544 -2.617 1.076 1.00 0.67 H new ATOM 0 HD13 ILE A 13 -7.398 -0.925 1.609 1.00 0.67 H new ATOM 196 N GLU A 14 -5.246 -4.768 5.276 1.00 0.67 N ATOM 197 CA GLU A 14 -5.256 -5.397 6.588 1.00 0.71 C ATOM 198 C GLU A 14 -3.843 -5.849 6.968 1.00 0.72 C ATOM 199 O GLU A 14 -3.351 -5.548 8.059 1.00 0.73 O ATOM 200 CB GLU A 14 -6.261 -6.559 6.623 1.00 0.82 C ATOM 201 CG GLU A 14 -7.689 -6.186 6.169 1.00 2.38 C ATOM 202 CD GLU A 14 -8.059 -4.727 6.400 1.00 4.48 C ATOM 203 OE1 GLU A 14 -8.198 -4.334 7.578 1.00 5.01 O ATOM 204 OE2 GLU A 14 -8.030 -3.917 5.446 1.00 5.95 O ATOM 0 H GLU A 14 -5.958 -5.148 4.652 1.00 0.67 H new ATOM 0 HA GLU A 14 -5.580 -4.668 7.331 1.00 0.71 H new ATOM 0 HB2 GLU A 14 -5.890 -7.363 5.987 1.00 0.82 H new ATOM 0 HB3 GLU A 14 -6.307 -6.952 7.639 1.00 0.82 H new ATOM 0 HG2 GLU A 14 -7.790 -6.411 5.107 1.00 2.38 H new ATOM 0 HG3 GLU A 14 -8.403 -6.818 6.698 1.00 2.38 H new ATOM 211 N THR A 15 -3.177 -6.536 6.038 1.00 0.73 N ATOM 212 CA THR A 15 -1.801 -6.972 6.220 1.00 0.76 C ATOM 213 C THR A 15 -0.907 -5.775 6.560 1.00 0.72 C ATOM 214 O THR A 15 -0.192 -5.810 7.559 1.00 0.79 O ATOM 215 CB THR A 15 -1.293 -7.768 5.007 1.00 0.79 C ATOM 216 OG1 THR A 15 -2.179 -8.836 4.737 1.00 0.95 O ATOM 217 CG2 THR A 15 0.090 -8.364 5.290 1.00 0.88 C ATOM 0 H THR A 15 -3.580 -6.803 5.140 1.00 0.73 H new ATOM 0 HA THR A 15 -1.762 -7.659 7.065 1.00 0.76 H new ATOM 0 HB THR A 15 -1.234 -7.088 4.157 1.00 0.79 H new ATOM 0 HG1 THR A 15 -3.009 -8.483 4.354 1.00 0.95 H new ATOM 0 HG21 THR A 15 0.430 -8.923 4.419 1.00 0.88 H new ATOM 0 HG22 THR A 15 0.795 -7.561 5.504 1.00 0.88 H new ATOM 0 HG23 THR A 15 0.029 -9.032 6.149 1.00 0.88 H new ATOM 225 N VAL A 16 -0.950 -4.690 5.783 1.00 0.65 N ATOM 226 CA VAL A 16 -0.137 -3.525 6.092 1.00 0.63 C ATOM 227 C VAL A 16 -0.443 -3.008 7.508 1.00 0.64 C ATOM 228 O VAL A 16 0.455 -2.907 8.346 1.00 0.69 O ATOM 229 CB VAL A 16 -0.352 -2.444 5.028 1.00 0.59 C ATOM 230 CG1 VAL A 16 0.388 -1.174 5.434 1.00 0.56 C ATOM 231 CG2 VAL A 16 0.149 -2.883 3.651 1.00 0.67 C ATOM 0 H VAL A 16 -1.531 -4.599 4.950 1.00 0.65 H new ATOM 0 HA VAL A 16 0.916 -3.807 6.076 1.00 0.63 H new ATOM 0 HB VAL A 16 -1.425 -2.264 4.960 1.00 0.59 H new ATOM 0 HG11 VAL A 16 0.234 -0.405 4.676 1.00 0.56 H new ATOM 0 HG12 VAL A 16 0.006 -0.821 6.392 1.00 0.56 H new ATOM 0 HG13 VAL A 16 1.453 -1.387 5.524 1.00 0.56 H new ATOM 0 HG21 VAL A 16 -0.024 -2.085 2.929 1.00 0.67 H new ATOM 0 HG22 VAL A 16 1.216 -3.099 3.704 1.00 0.67 H new ATOM 0 HG23 VAL A 16 -0.387 -3.779 3.337 1.00 0.67 H new ATOM 241 N VAL A 17 -1.701 -2.664 7.790 1.00 0.64 N ATOM 242 CA VAL A 17 -2.065 -2.060 9.073 1.00 0.69 C ATOM 243 C VAL A 17 -1.726 -2.958 10.272 1.00 0.79 C ATOM 244 O VAL A 17 -1.415 -2.436 11.350 1.00 0.97 O ATOM 245 CB VAL A 17 -3.518 -1.566 9.092 1.00 0.69 C ATOM 246 CG1 VAL A 17 -3.752 -0.511 8.001 1.00 0.67 C ATOM 247 CG2 VAL A 17 -4.489 -2.731 8.937 1.00 0.66 C ATOM 0 H VAL A 17 -2.483 -2.793 7.149 1.00 0.64 H new ATOM 0 HA VAL A 17 -1.439 -1.174 9.182 1.00 0.69 H new ATOM 0 HB VAL A 17 -3.703 -1.098 10.059 1.00 0.69 H new ATOM 0 HG11 VAL A 17 -4.789 -0.177 8.035 1.00 0.67 H new ATOM 0 HG12 VAL A 17 -3.091 0.339 8.169 1.00 0.67 H new ATOM 0 HG13 VAL A 17 -3.543 -0.946 7.024 1.00 0.67 H new ATOM 0 HG21 VAL A 17 -5.512 -2.356 8.953 1.00 0.66 H new ATOM 0 HG22 VAL A 17 -4.303 -3.236 7.989 1.00 0.66 H new ATOM 0 HG23 VAL A 17 -4.347 -3.435 9.757 1.00 0.66 H new ATOM 257 N THR A 18 -1.779 -4.288 10.113 1.00 0.75 N ATOM 258 CA THR A 18 -1.302 -5.181 11.163 1.00 0.89 C ATOM 259 C THR A 18 0.227 -5.181 11.214 1.00 0.85 C ATOM 260 O THR A 18 0.779 -5.203 12.308 1.00 0.88 O ATOM 261 CB THR A 18 -1.915 -6.592 11.085 1.00 1.02 C ATOM 262 OG1 THR A 18 -2.001 -7.128 12.391 1.00 1.36 O ATOM 263 CG2 THR A 18 -1.129 -7.586 10.226 1.00 1.07 C ATOM 0 H THR A 18 -2.141 -4.756 9.282 1.00 0.75 H new ATOM 0 HA THR A 18 -1.657 -4.788 12.116 1.00 0.89 H new ATOM 0 HB THR A 18 -2.889 -6.463 10.612 1.00 1.02 H new ATOM 0 HG1 THR A 18 -2.392 -8.026 12.351 1.00 1.36 H new ATOM 0 HG21 THR A 18 -1.636 -8.551 10.230 1.00 1.07 H new ATOM 0 HG22 THR A 18 -1.067 -7.214 9.203 1.00 1.07 H new ATOM 0 HG23 THR A 18 -0.124 -7.702 10.632 1.00 1.07 H new ATOM 271 N THR A 19 0.909 -5.139 10.063 1.00 0.82 N ATOM 272 CA THR A 19 2.376 -5.250 9.963 1.00 0.84 C ATOM 273 C THR A 19 3.250 -4.423 11.024 1.00 0.77 C ATOM 274 O THR A 19 3.745 -5.511 11.293 1.00 1.54 O ATOM 275 CB THR A 19 2.846 -5.107 8.495 1.00 0.92 C ATOM 276 OG1 THR A 19 2.477 -6.256 7.754 1.00 1.44 O ATOM 277 CG2 THR A 19 4.358 -4.947 8.336 1.00 0.98 C ATOM 0 H THR A 19 0.453 -5.025 9.158 1.00 0.82 H new ATOM 0 HA THR A 19 2.594 -6.267 10.289 1.00 0.84 H new ATOM 0 HB THR A 19 2.364 -4.200 8.131 1.00 0.92 H new ATOM 0 HG1 THR A 19 1.501 -6.297 7.678 1.00 1.44 H new ATOM 0 HG21 THR A 19 4.605 -4.853 7.278 1.00 0.98 H new ATOM 0 HG22 THR A 19 4.687 -4.053 8.866 1.00 0.98 H new ATOM 0 HG23 THR A 19 4.862 -5.820 8.750 1.00 0.98 H new ATOM 285 N PHE A 20 2.605 -3.324 10.575 1.00 0.79 N ATOM 286 CA PHE A 20 2.900 -2.093 11.312 1.00 0.90 C ATOM 287 C PHE A 20 2.979 -2.345 12.825 1.00 0.94 C ATOM 288 O PHE A 20 3.941 -1.941 13.467 1.00 1.07 O ATOM 289 CB PHE A 20 1.880 -0.986 11.016 1.00 1.09 C ATOM 290 CG PHE A 20 2.256 -0.081 9.862 1.00 0.90 C ATOM 291 CD1 PHE A 20 3.420 0.706 9.948 1.00 2.03 C ATOM 292 CD2 PHE A 20 1.388 0.081 8.768 1.00 2.31 C ATOM 293 CE1 PHE A 20 3.747 1.588 8.908 1.00 2.29 C ATOM 294 CE2 PHE A 20 1.683 1.009 7.760 1.00 2.07 C ATOM 295 CZ PHE A 20 2.861 1.759 7.833 1.00 0.90 C ATOM 0 H PHE A 20 1.950 -3.264 9.795 1.00 0.79 H new ATOM 0 HA PHE A 20 3.876 -1.754 10.966 1.00 0.90 H new ATOM 0 HB2 PHE A 20 0.915 -1.446 10.802 1.00 1.09 H new ATOM 0 HB3 PHE A 20 1.752 -0.378 11.912 1.00 1.09 H new ATOM 0 HD1 PHE A 20 4.061 0.631 10.814 1.00 2.03 H new ATOM 0 HD2 PHE A 20 0.488 -0.513 8.704 1.00 2.31 H new ATOM 0 HE1 PHE A 20 4.678 2.134 8.934 1.00 2.29 H new ATOM 0 HE2 PHE A 20 1.004 1.144 6.931 1.00 2.07 H new ATOM 0 HZ PHE A 20 3.090 2.474 7.057 1.00 0.90 H new ATOM 305 N PHE A 21 1.973 -3.027 13.376 1.00 0.97 N ATOM 306 CA PHE A 21 1.963 -3.467 14.764 1.00 1.13 C ATOM 307 C PHE A 21 2.978 -4.600 14.936 1.00 1.16 C ATOM 308 O PHE A 21 3.905 -4.508 15.736 1.00 1.37 O ATOM 309 CB PHE A 21 0.543 -3.929 15.152 1.00 1.20 C ATOM 310 CG PHE A 21 0.109 -3.640 16.578 1.00 1.67 C ATOM 311 CD1 PHE A 21 1.010 -3.779 17.654 1.00 2.50 C ATOM 312 CD2 PHE A 21 -1.244 -3.353 16.842 1.00 2.76 C ATOM 313 CE1 PHE A 21 0.556 -3.641 18.976 1.00 3.13 C ATOM 314 CE2 PHE A 21 -1.686 -3.168 18.163 1.00 3.31 C ATOM 315 CZ PHE A 21 -0.786 -3.313 19.232 1.00 3.10 C ATOM 0 H PHE A 21 1.133 -3.290 12.860 1.00 0.97 H new ATOM 0 HA PHE A 21 2.243 -2.644 15.422 1.00 1.13 H new ATOM 0 HB2 PHE A 21 -0.168 -3.455 14.475 1.00 1.20 H new ATOM 0 HB3 PHE A 21 0.475 -5.004 14.985 1.00 1.20 H new ATOM 0 HD1 PHE A 21 2.051 -3.992 17.461 1.00 2.50 H new ATOM 0 HD2 PHE A 21 -1.946 -3.275 16.025 1.00 2.76 H new ATOM 0 HE1 PHE A 21 1.241 -3.787 19.798 1.00 3.13 H new ATOM 0 HE2 PHE A 21 -2.718 -2.914 18.357 1.00 3.31 H new ATOM 0 HZ PHE A 21 -1.125 -3.173 20.248 1.00 3.10 H new ATOM 325 N THR A 22 2.807 -5.685 14.179 1.00 1.18 N ATOM 326 CA THR A 22 3.558 -6.919 14.352 1.00 1.46 C ATOM 327 C THR A 22 4.898 -6.810 13.618 1.00 1.63 C ATOM 328 O THR A 22 5.236 -7.644 12.781 1.00 2.03 O ATOM 329 CB THR A 22 2.684 -8.064 13.807 1.00 1.90 C ATOM 330 OG1 THR A 22 1.335 -7.859 14.192 1.00 3.06 O ATOM 331 CG2 THR A 22 3.134 -9.433 14.328 1.00 2.32 C ATOM 0 H THR A 22 2.130 -5.727 13.417 1.00 1.18 H new ATOM 0 HA THR A 22 3.788 -7.113 15.400 1.00 1.46 H new ATOM 0 HB THR A 22 2.786 -8.058 12.722 1.00 1.90 H new ATOM 0 HG1 THR A 22 0.781 -8.588 13.843 1.00 3.06 H new ATOM 0 HG21 THR A 22 2.488 -10.209 13.917 1.00 2.32 H new ATOM 0 HG22 THR A 22 4.164 -9.618 14.022 1.00 2.32 H new ATOM 0 HG23 THR A 22 3.070 -9.447 15.416 1.00 2.32 H new ATOM 478 N ASP A 31 1.469 5.215 14.230 1.00 1.75 N ATOM 479 CA ASP A 31 1.165 4.839 12.851 1.00 1.54 C ATOM 480 C ASP A 31 2.374 4.097 12.257 1.00 1.28 C ATOM 481 O ASP A 31 2.353 2.875 12.121 1.00 1.60 O ATOM 482 CB ASP A 31 0.775 6.034 11.960 1.00 1.96 C ATOM 483 CG ASP A 31 -0.709 6.361 11.842 1.00 2.20 C ATOM 484 OD1 ASP A 31 -1.478 6.111 12.791 1.00 2.40 O ATOM 485 OD2 ASP A 31 -1.061 6.911 10.768 1.00 3.34 O ATOM 0 HA ASP A 31 0.290 4.189 12.876 1.00 1.54 H new ATOM 0 HB2 ASP A 31 1.287 6.919 12.339 1.00 1.96 H new ATOM 0 HB3 ASP A 31 1.160 5.848 10.958 1.00 1.96 H new ATOM 490 N SER A 32 3.425 4.852 11.927 1.00 1.17 N ATOM 491 CA SER A 32 4.607 4.423 11.199 1.00 1.10 C ATOM 492 C SER A 32 5.888 4.892 11.917 1.00 1.05 C ATOM 493 O SER A 32 5.871 5.088 13.130 1.00 1.15 O ATOM 494 CB SER A 32 4.500 4.985 9.779 1.00 1.14 C ATOM 495 OG SER A 32 3.206 4.786 9.232 1.00 2.30 O ATOM 0 H SER A 32 3.469 5.839 12.180 1.00 1.17 H new ATOM 0 HA SER A 32 4.666 3.335 11.155 1.00 1.10 H new ATOM 0 HB2 SER A 32 4.730 6.050 9.791 1.00 1.14 H new ATOM 0 HB3 SER A 32 5.242 4.506 9.141 1.00 1.14 H new ATOM 0 HG SER A 32 3.116 3.857 8.933 1.00 2.30 H new ATOM 501 N LEU A 33 6.997 5.047 11.176 1.00 1.03 N ATOM 502 CA LEU A 33 8.314 5.428 11.686 1.00 1.00 C ATOM 503 C LEU A 33 8.673 6.844 11.206 1.00 1.09 C ATOM 504 O LEU A 33 7.839 7.542 10.619 1.00 1.27 O ATOM 505 CB LEU A 33 9.381 4.423 11.204 1.00 1.01 C ATOM 506 CG LEU A 33 9.195 2.943 11.576 1.00 0.99 C ATOM 507 CD1 LEU A 33 8.674 2.715 12.999 1.00 1.38 C ATOM 508 CD2 LEU A 33 8.343 2.234 10.529 1.00 1.06 C ATOM 0 H LEU A 33 6.995 4.904 10.166 1.00 1.03 H new ATOM 0 HA LEU A 33 8.286 5.418 12.776 1.00 1.00 H new ATOM 0 HB2 LEU A 33 9.437 4.490 10.118 1.00 1.01 H new ATOM 0 HB3 LEU A 33 10.346 4.747 11.594 1.00 1.01 H new ATOM 0 HG LEU A 33 10.190 2.497 11.576 1.00 0.99 H new ATOM 0 HD11 LEU A 33 8.571 1.645 13.182 1.00 1.38 H new ATOM 0 HD12 LEU A 33 9.377 3.139 13.716 1.00 1.38 H new ATOM 0 HD13 LEU A 33 7.703 3.198 13.113 1.00 1.38 H new ATOM 0 HD21 LEU A 33 8.221 1.187 10.807 1.00 1.06 H new ATOM 0 HD22 LEU A 33 7.365 2.711 10.472 1.00 1.06 H new ATOM 0 HD23 LEU A 33 8.834 2.296 9.558 1.00 1.06 H new ATOM 520 N SER A 34 9.924 7.265 11.416 1.00 1.05 N ATOM 521 CA SER A 34 10.394 8.573 10.968 1.00 1.03 C ATOM 522 C SER A 34 10.662 8.535 9.460 1.00 1.03 C ATOM 523 O SER A 34 10.896 7.464 8.904 1.00 1.05 O ATOM 524 CB SER A 34 11.626 9.023 11.766 1.00 1.09 C ATOM 525 OG SER A 34 11.577 8.550 13.096 1.00 1.42 O ATOM 0 H SER A 34 10.632 6.711 11.898 1.00 1.05 H new ATOM 0 HA SER A 34 9.618 9.316 11.155 1.00 1.03 H new ATOM 0 HB2 SER A 34 12.530 8.656 11.280 1.00 1.09 H new ATOM 0 HB3 SER A 34 11.684 10.111 11.767 1.00 1.09 H new ATOM 0 HG SER A 34 11.869 7.615 13.122 1.00 1.42 H new ATOM 531 N VAL A 35 10.633 9.682 8.774 1.00 1.05 N ATOM 532 CA VAL A 35 10.682 9.700 7.312 1.00 1.06 C ATOM 533 C VAL A 35 12.091 9.305 6.820 1.00 1.10 C ATOM 534 O VAL A 35 12.251 8.442 5.956 1.00 1.12 O ATOM 535 CB VAL A 35 10.221 11.075 6.782 1.00 1.18 C ATOM 536 CG1 VAL A 35 9.933 11.014 5.278 1.00 1.25 C ATOM 537 CG2 VAL A 35 8.950 11.649 7.435 1.00 1.21 C ATOM 0 H VAL A 35 10.576 10.604 9.206 1.00 1.05 H new ATOM 0 HA VAL A 35 9.991 8.959 6.910 1.00 1.06 H new ATOM 0 HB VAL A 35 11.057 11.728 7.033 1.00 1.18 H new ATOM 0 HG11 VAL A 35 9.610 11.995 4.929 1.00 1.25 H new ATOM 0 HG12 VAL A 35 10.838 10.719 4.746 1.00 1.25 H new ATOM 0 HG13 VAL A 35 9.146 10.284 5.088 1.00 1.25 H new ATOM 0 HG21 VAL A 35 8.717 12.616 6.989 1.00 1.21 H new ATOM 0 HG22 VAL A 35 8.117 10.964 7.274 1.00 1.21 H new ATOM 0 HG23 VAL A 35 9.115 11.774 8.505 1.00 1.21 H new ATOM 547 N ASN A 36 13.126 9.934 7.384 1.00 1.18 N ATOM 548 CA ASN A 36 14.525 9.631 7.089 1.00 1.29 C ATOM 549 C ASN A 36 14.843 8.171 7.419 1.00 1.29 C ATOM 550 O ASN A 36 15.322 7.428 6.567 1.00 1.35 O ATOM 551 CB ASN A 36 15.442 10.590 7.860 1.00 1.54 C ATOM 552 CG ASN A 36 16.855 10.602 7.289 1.00 2.09 C ATOM 553 OD1 ASN A 36 17.583 9.625 7.407 1.00 2.67 O ATOM 554 ND2 ASN A 36 17.256 11.710 6.667 1.00 2.51 N ATOM 0 H ASN A 36 13.011 10.680 8.070 1.00 1.18 H new ATOM 0 HA ASN A 36 14.701 9.772 6.023 1.00 1.29 H new ATOM 0 HB2 ASN A 36 15.027 11.597 7.825 1.00 1.54 H new ATOM 0 HB3 ASN A 36 15.476 10.296 8.909 1.00 1.54 H new ATOM 0 HD21 ASN A 36 18.195 11.762 6.272 1.00 2.51 H new ATOM 0 HD22 ASN A 36 16.624 12.507 6.586 1.00 2.51 H new ATOM 561 N GLU A 37 14.519 7.771 8.654 1.00 1.26 N ATOM 562 CA GLU A 37 14.624 6.404 9.149 1.00 1.30 C ATOM 563 C GLU A 37 14.029 5.444 8.117 1.00 1.28 C ATOM 564 O GLU A 37 14.735 4.606 7.556 1.00 1.51 O ATOM 565 CB GLU A 37 13.867 6.356 10.485 1.00 1.32 C ATOM 566 CG GLU A 37 13.780 4.988 11.170 1.00 1.37 C ATOM 567 CD GLU A 37 12.871 5.038 12.397 1.00 2.19 C ATOM 568 OE1 GLU A 37 12.124 6.038 12.526 1.00 3.34 O ATOM 569 OE2 GLU A 37 12.910 4.057 13.167 1.00 2.74 O ATOM 0 H GLU A 37 14.164 8.418 9.358 1.00 1.26 H new ATOM 0 HA GLU A 37 15.659 6.101 9.306 1.00 1.30 H new ATOM 0 HB2 GLU A 37 14.345 7.053 11.174 1.00 1.32 H new ATOM 0 HB3 GLU A 37 12.853 6.719 10.316 1.00 1.32 H new ATOM 0 HG2 GLU A 37 13.401 4.249 10.464 1.00 1.37 H new ATOM 0 HG3 GLU A 37 14.777 4.663 11.467 1.00 1.37 H new ATOM 576 N PHE A 38 12.734 5.623 7.834 1.00 1.09 N ATOM 577 CA PHE A 38 11.986 4.876 6.839 1.00 1.06 C ATOM 578 C PHE A 38 12.793 4.650 5.566 1.00 1.07 C ATOM 579 O PHE A 38 12.917 3.509 5.145 1.00 1.13 O ATOM 580 CB PHE A 38 10.660 5.583 6.550 1.00 1.02 C ATOM 581 CG PHE A 38 9.999 5.204 5.242 1.00 1.06 C ATOM 582 CD1 PHE A 38 9.095 4.133 5.205 1.00 1.36 C ATOM 583 CD2 PHE A 38 10.269 5.931 4.069 1.00 2.20 C ATOM 584 CE1 PHE A 38 8.351 3.885 4.041 1.00 1.41 C ATOM 585 CE2 PHE A 38 9.651 5.566 2.862 1.00 2.25 C ATOM 586 CZ PHE A 38 8.649 4.583 2.858 1.00 1.21 C ATOM 0 H PHE A 38 12.165 6.320 8.314 1.00 1.09 H new ATOM 0 HA PHE A 38 11.773 3.887 7.244 1.00 1.06 H new ATOM 0 HB2 PHE A 38 9.967 5.369 7.364 1.00 1.02 H new ATOM 0 HB3 PHE A 38 10.832 6.659 6.553 1.00 1.02 H new ATOM 0 HD1 PHE A 38 8.971 3.500 6.071 1.00 1.36 H new ATOM 0 HD2 PHE A 38 10.950 6.768 4.096 1.00 2.20 H new ATOM 0 HE1 PHE A 38 7.551 3.159 4.054 1.00 1.41 H new ATOM 0 HE2 PHE A 38 9.946 6.041 1.938 1.00 2.25 H new ATOM 0 HZ PHE A 38 8.109 4.364 1.949 1.00 1.21 H new ATOM 596 N LYS A 39 13.337 5.703 4.949 1.00 1.05 N ATOM 597 CA LYS A 39 14.038 5.588 3.672 1.00 1.09 C ATOM 598 C LYS A 39 15.087 4.461 3.684 1.00 1.21 C ATOM 599 O LYS A 39 15.197 3.698 2.717 1.00 1.39 O ATOM 600 CB LYS A 39 14.576 6.976 3.273 1.00 1.14 C ATOM 601 CG LYS A 39 15.416 7.012 1.984 1.00 1.36 C ATOM 602 CD LYS A 39 16.860 6.559 2.245 1.00 1.70 C ATOM 603 CE LYS A 39 17.909 7.234 1.355 1.00 2.59 C ATOM 604 NZ LYS A 39 19.266 6.703 1.628 1.00 3.48 N ATOM 0 H LYS A 39 13.303 6.653 5.320 1.00 1.05 H new ATOM 0 HA LYS A 39 13.346 5.277 2.889 1.00 1.09 H new ATOM 0 HB2 LYS A 39 13.731 7.654 3.155 1.00 1.14 H new ATOM 0 HB3 LYS A 39 15.182 7.361 4.093 1.00 1.14 H new ATOM 0 HG2 LYS A 39 14.961 6.367 1.233 1.00 1.36 H new ATOM 0 HG3 LYS A 39 15.418 8.023 1.577 1.00 1.36 H new ATOM 0 HD2 LYS A 39 17.106 6.756 3.288 1.00 1.70 H new ATOM 0 HD3 LYS A 39 16.920 5.480 2.102 1.00 1.70 H new ATOM 0 HE2 LYS A 39 17.657 7.074 0.307 1.00 2.59 H new ATOM 0 HE3 LYS A 39 17.896 8.311 1.525 1.00 2.59 H new ATOM 0 HZ1 LYS A 39 19.975 7.427 1.395 1.00 3.48 H new ATOM 0 HZ2 LYS A 39 19.345 6.452 2.634 1.00 3.48 H new ATOM 0 HZ3 LYS A 39 19.431 5.857 1.047 1.00 3.48 H new ATOM 618 N GLU A 40 15.851 4.326 4.770 1.00 1.14 N ATOM 619 CA GLU A 40 16.853 3.269 4.871 1.00 1.25 C ATOM 620 C GLU A 40 16.246 1.991 5.459 1.00 1.13 C ATOM 621 O GLU A 40 16.612 0.887 5.059 1.00 1.08 O ATOM 622 CB GLU A 40 18.112 3.796 5.573 1.00 1.76 C ATOM 623 CG GLU A 40 18.520 5.083 4.834 1.00 1.91 C ATOM 624 CD GLU A 40 19.996 5.434 4.853 1.00 2.77 C ATOM 625 OE1 GLU A 40 20.713 4.948 5.749 1.00 3.03 O ATOM 626 OE2 GLU A 40 20.361 6.181 3.914 1.00 3.72 O ATOM 0 H GLU A 40 15.794 4.934 5.587 1.00 1.14 H new ATOM 0 HA GLU A 40 17.190 2.969 3.879 1.00 1.25 H new ATOM 0 HB2 GLU A 40 17.913 4.000 6.625 1.00 1.76 H new ATOM 0 HB3 GLU A 40 18.913 3.058 5.537 1.00 1.76 H new ATOM 0 HG2 GLU A 40 18.203 4.995 3.795 1.00 1.91 H new ATOM 0 HG3 GLU A 40 17.965 5.916 5.267 1.00 1.91 H new ATOM 633 N LEU A 41 15.255 2.115 6.340 1.00 1.20 N ATOM 634 CA LEU A 41 14.535 0.966 6.872 1.00 1.23 C ATOM 635 C LEU A 41 13.912 0.135 5.736 1.00 0.98 C ATOM 636 O LEU A 41 14.090 -1.080 5.689 1.00 1.04 O ATOM 637 CB LEU A 41 13.489 1.443 7.888 1.00 1.49 C ATOM 638 CG LEU A 41 13.177 0.389 8.959 1.00 1.04 C ATOM 639 CD1 LEU A 41 14.286 0.309 10.016 1.00 2.27 C ATOM 640 CD2 LEU A 41 11.859 0.759 9.644 1.00 2.37 C ATOM 0 H LEU A 41 14.932 3.012 6.702 1.00 1.20 H new ATOM 0 HA LEU A 41 15.232 0.307 7.391 1.00 1.23 H new ATOM 0 HB2 LEU A 41 13.847 2.351 8.372 1.00 1.49 H new ATOM 0 HB3 LEU A 41 12.570 1.703 7.362 1.00 1.49 H new ATOM 0 HG LEU A 41 13.105 -0.584 8.472 1.00 1.04 H new ATOM 0 HD11 LEU A 41 14.029 -0.448 10.757 1.00 2.27 H new ATOM 0 HD12 LEU A 41 15.227 0.042 9.536 1.00 2.27 H new ATOM 0 HD13 LEU A 41 14.391 1.276 10.507 1.00 2.27 H new ATOM 0 HD21 LEU A 41 11.625 0.017 10.408 1.00 2.37 H new ATOM 0 HD22 LEU A 41 11.953 1.741 10.108 1.00 2.37 H new ATOM 0 HD23 LEU A 41 11.059 0.783 8.904 1.00 2.37 H new ATOM 652 N VAL A 42 13.221 0.779 4.788 1.00 0.86 N ATOM 653 CA VAL A 42 12.665 0.088 3.630 1.00 0.79 C ATOM 654 C VAL A 42 13.793 -0.559 2.826 1.00 0.79 C ATOM 655 O VAL A 42 13.682 -1.717 2.446 1.00 0.85 O ATOM 656 CB VAL A 42 11.717 0.971 2.789 1.00 0.82 C ATOM 657 CG1 VAL A 42 10.553 1.465 3.650 1.00 1.29 C ATOM 658 CG2 VAL A 42 12.397 2.154 2.084 1.00 1.65 C ATOM 0 H VAL A 42 13.036 1.782 4.805 1.00 0.86 H new ATOM 0 HA VAL A 42 12.015 -0.712 3.985 1.00 0.79 H new ATOM 0 HB VAL A 42 11.352 0.327 1.989 1.00 0.82 H new ATOM 0 HG11 VAL A 42 9.892 2.086 3.046 1.00 1.29 H new ATOM 0 HG12 VAL A 42 9.997 0.610 4.035 1.00 1.29 H new ATOM 0 HG13 VAL A 42 10.940 2.051 4.484 1.00 1.29 H new ATOM 0 HG21 VAL A 42 11.654 2.716 1.518 1.00 1.65 H new ATOM 0 HG22 VAL A 42 12.856 2.805 2.827 1.00 1.65 H new ATOM 0 HG23 VAL A 42 13.164 1.781 1.405 1.00 1.65 H new ATOM 668 N THR A 43 14.914 0.138 2.628 1.00 0.82 N ATOM 669 CA THR A 43 16.078 -0.467 1.987 1.00 0.97 C ATOM 670 C THR A 43 16.461 -1.780 2.696 1.00 1.01 C ATOM 671 O THR A 43 16.651 -2.804 2.041 1.00 1.17 O ATOM 672 CB THR A 43 17.231 0.549 1.908 1.00 1.10 C ATOM 673 OG1 THR A 43 16.814 1.710 1.206 1.00 1.65 O ATOM 674 CG2 THR A 43 18.453 -0.054 1.207 1.00 1.95 C ATOM 0 H THR A 43 15.038 1.113 2.900 1.00 0.82 H new ATOM 0 HA THR A 43 15.835 -0.736 0.959 1.00 0.97 H new ATOM 0 HB THR A 43 17.509 0.816 2.928 1.00 1.10 H new ATOM 0 HG1 THR A 43 16.291 2.284 1.804 1.00 1.65 H new ATOM 0 HG21 THR A 43 19.251 0.687 1.166 1.00 1.95 H new ATOM 0 HG22 THR A 43 18.796 -0.927 1.762 1.00 1.95 H new ATOM 0 HG23 THR A 43 18.182 -0.351 0.194 1.00 1.95 H new ATOM 682 N GLN A 44 16.525 -1.779 4.032 1.00 1.03 N ATOM 683 CA GLN A 44 16.812 -2.988 4.800 1.00 1.15 C ATOM 684 C GLN A 44 15.738 -4.070 4.603 1.00 1.20 C ATOM 685 O GLN A 44 16.075 -5.237 4.421 1.00 1.40 O ATOM 686 CB GLN A 44 17.006 -2.657 6.286 1.00 1.20 C ATOM 687 CG GLN A 44 18.232 -1.763 6.512 1.00 2.07 C ATOM 688 CD GLN A 44 18.375 -1.395 7.983 1.00 3.01 C ATOM 689 OE1 GLN A 44 17.920 -0.343 8.417 1.00 4.34 O ATOM 690 NE2 GLN A 44 19.007 -2.261 8.770 1.00 3.16 N ATOM 0 H GLN A 44 16.380 -0.947 4.604 1.00 1.03 H new ATOM 0 HA GLN A 44 17.746 -3.400 4.418 1.00 1.15 H new ATOM 0 HB2 GLN A 44 16.116 -2.157 6.667 1.00 1.20 H new ATOM 0 HB3 GLN A 44 17.120 -3.581 6.853 1.00 1.20 H new ATOM 0 HG2 GLN A 44 19.130 -2.279 6.174 1.00 2.07 H new ATOM 0 HG3 GLN A 44 18.141 -0.856 5.914 1.00 2.07 H new ATOM 0 HE21 GLN A 44 19.375 -3.129 8.381 1.00 3.16 H new ATOM 0 HE22 GLN A 44 19.123 -2.057 9.763 1.00 3.16 H new ATOM 699 N GLN A 45 14.451 -3.709 4.657 1.00 1.08 N ATOM 700 CA GLN A 45 13.349 -4.641 4.404 1.00 1.07 C ATOM 701 C GLN A 45 13.409 -5.232 2.991 1.00 1.12 C ATOM 702 O GLN A 45 13.012 -6.385 2.802 1.00 1.26 O ATOM 703 CB GLN A 45 11.993 -3.952 4.616 1.00 0.99 C ATOM 704 CG GLN A 45 11.412 -4.061 6.027 1.00 1.00 C ATOM 705 CD GLN A 45 12.080 -3.154 7.052 1.00 1.53 C ATOM 706 OE1 GLN A 45 11.472 -2.192 7.508 1.00 2.85 O ATOM 707 NE2 GLN A 45 13.308 -3.466 7.450 1.00 1.59 N ATOM 0 H GLN A 45 14.145 -2.761 4.878 1.00 1.08 H new ATOM 0 HA GLN A 45 13.456 -5.458 5.118 1.00 1.07 H new ATOM 0 HB2 GLN A 45 12.099 -2.896 4.366 1.00 0.99 H new ATOM 0 HB3 GLN A 45 11.276 -4.376 3.913 1.00 0.99 H new ATOM 0 HG2 GLN A 45 10.349 -3.825 5.989 1.00 1.00 H new ATOM 0 HG3 GLN A 45 11.497 -5.094 6.363 1.00 1.00 H new ATOM 0 HE21 GLN A 45 13.784 -4.274 7.049 1.00 1.59 H new ATOM 0 HE22 GLN A 45 13.775 -2.898 8.157 1.00 1.59 H new ATOM 716 N LEU A 46 13.846 -4.440 2.008 1.00 1.07 N ATOM 717 CA LEU A 46 13.792 -4.769 0.592 1.00 1.10 C ATOM 718 C LEU A 46 15.193 -4.918 -0.033 1.00 1.11 C ATOM 719 O LEU A 46 15.579 -4.100 -0.866 1.00 1.16 O ATOM 720 CB LEU A 46 13.014 -3.669 -0.148 1.00 1.10 C ATOM 721 CG LEU A 46 11.511 -3.572 0.160 1.00 1.22 C ATOM 722 CD1 LEU A 46 11.144 -2.547 1.229 1.00 1.56 C ATOM 723 CD2 LEU A 46 10.771 -3.159 -1.119 1.00 1.44 C ATOM 0 H LEU A 46 14.259 -3.525 2.188 1.00 1.07 H new ATOM 0 HA LEU A 46 13.291 -5.732 0.493 1.00 1.10 H new ATOM 0 HB2 LEU A 46 13.474 -2.709 0.086 1.00 1.10 H new ATOM 0 HB3 LEU A 46 13.134 -3.827 -1.220 1.00 1.10 H new ATOM 0 HG LEU A 46 11.226 -4.555 0.533 1.00 1.22 H new ATOM 0 HD11 LEU A 46 10.064 -2.549 1.379 1.00 1.56 H new ATOM 0 HD12 LEU A 46 11.641 -2.803 2.165 1.00 1.56 H new ATOM 0 HD13 LEU A 46 11.464 -1.556 0.908 1.00 1.56 H new ATOM 0 HD21 LEU A 46 9.703 -3.087 -0.914 1.00 1.44 H new ATOM 0 HD22 LEU A 46 11.142 -2.192 -1.458 1.00 1.44 H new ATOM 0 HD23 LEU A 46 10.942 -3.905 -1.895 1.00 1.44 H new ATOM 735 N PRO A 47 15.955 -5.980 0.268 1.00 1.21 N ATOM 736 CA PRO A 47 17.255 -6.199 -0.349 1.00 1.23 C ATOM 737 C PRO A 47 17.158 -6.852 -1.741 1.00 1.21 C ATOM 738 O PRO A 47 18.188 -7.018 -2.390 1.00 1.35 O ATOM 739 CB PRO A 47 18.001 -7.099 0.638 1.00 1.55 C ATOM 740 CG PRO A 47 16.873 -7.969 1.183 1.00 1.73 C ATOM 741 CD PRO A 47 15.695 -6.995 1.274 1.00 1.48 C ATOM 0 HA PRO A 47 17.768 -5.255 -0.530 1.00 1.23 H new ATOM 0 HB2 PRO A 47 18.773 -7.691 0.147 1.00 1.55 H new ATOM 0 HB3 PRO A 47 18.491 -6.525 1.425 1.00 1.55 H new ATOM 0 HG2 PRO A 47 16.653 -8.806 0.520 1.00 1.73 H new ATOM 0 HG3 PRO A 47 17.124 -8.390 2.156 1.00 1.73 H new ATOM 0 HD2 PRO A 47 14.750 -7.503 1.084 1.00 1.48 H new ATOM 0 HD3 PRO A 47 15.626 -6.554 2.268 1.00 1.48 H new ATOM 749 N HIS A 48 15.959 -7.251 -2.201 1.00 1.58 N ATOM 750 CA HIS A 48 15.768 -8.010 -3.439 1.00 1.94 C ATOM 751 C HIS A 48 16.565 -7.433 -4.624 1.00 1.93 C ATOM 752 O HIS A 48 17.242 -8.186 -5.335 1.00 2.83 O ATOM 753 CB HIS A 48 14.274 -8.128 -3.782 1.00 2.28 C ATOM 754 CG HIS A 48 14.042 -8.812 -5.110 1.00 2.60 C ATOM 755 ND1 HIS A 48 13.445 -8.238 -6.209 1.00 2.69 N ATOM 756 CD2 HIS A 48 14.694 -9.936 -5.544 1.00 4.30 C ATOM 757 CE1 HIS A 48 13.755 -8.989 -7.280 1.00 3.74 C ATOM 758 NE2 HIS A 48 14.565 -10.006 -6.939 1.00 4.53 N ATOM 0 H HIS A 48 15.086 -7.050 -1.713 1.00 1.58 H new ATOM 0 HA HIS A 48 16.165 -9.009 -3.259 1.00 1.94 H new ATOM 0 HB2 HIS A 48 13.766 -8.685 -2.995 1.00 2.28 H new ATOM 0 HB3 HIS A 48 13.829 -7.133 -3.806 1.00 2.28 H new ATOM 0 HD2 HIS A 48 15.217 -10.646 -4.920 1.00 4.30 H new ATOM 0 HE1 HIS A 48 13.400 -8.800 -8.282 1.00 3.74 H new ATOM 0 HE2 HIS A 48 14.996 -10.687 -7.564 1.00 4.53 H new ATOM 766 N LEU A 49 16.457 -6.117 -4.864 1.00 1.63 N ATOM 767 CA LEU A 49 17.327 -5.401 -5.797 1.00 1.57 C ATOM 768 C LEU A 49 17.299 -3.895 -5.496 1.00 1.45 C ATOM 769 O LEU A 49 18.315 -3.341 -5.092 1.00 1.64 O ATOM 770 CB LEU A 49 16.919 -5.713 -7.254 1.00 1.81 C ATOM 771 CG LEU A 49 17.996 -5.452 -8.324 1.00 1.59 C ATOM 772 CD1 LEU A 49 18.478 -3.999 -8.366 1.00 2.49 C ATOM 773 CD2 LEU A 49 19.197 -6.397 -8.187 1.00 2.82 C ATOM 0 H LEU A 49 15.761 -5.523 -4.413 1.00 1.63 H new ATOM 0 HA LEU A 49 18.355 -5.740 -5.669 1.00 1.57 H new ATOM 0 HB2 LEU A 49 16.623 -6.760 -7.312 1.00 1.81 H new ATOM 0 HB3 LEU A 49 16.039 -5.119 -7.500 1.00 1.81 H new ATOM 0 HG LEU A 49 17.497 -5.657 -9.271 1.00 1.59 H new ATOM 0 HD11 LEU A 49 19.235 -3.889 -9.142 1.00 2.49 H new ATOM 0 HD12 LEU A 49 17.636 -3.342 -8.585 1.00 2.49 H new ATOM 0 HD13 LEU A 49 18.906 -3.730 -7.401 1.00 2.49 H new ATOM 0 HD21 LEU A 49 19.927 -6.172 -8.964 1.00 2.82 H new ATOM 0 HD22 LEU A 49 19.656 -6.262 -7.208 1.00 2.82 H new ATOM 0 HD23 LEU A 49 18.862 -7.429 -8.292 1.00 2.82 H new ATOM 785 N LEU A 50 16.133 -3.251 -5.644 1.00 1.40 N ATOM 786 CA LEU A 50 15.901 -1.849 -5.284 1.00 1.53 C ATOM 787 C LEU A 50 16.843 -0.921 -6.055 1.00 1.42 C ATOM 788 O LEU A 50 17.780 -0.319 -5.536 1.00 1.65 O ATOM 789 CB LEU A 50 15.862 -1.652 -3.758 1.00 2.03 C ATOM 790 CG LEU A 50 14.485 -1.989 -3.144 1.00 2.68 C ATOM 791 CD1 LEU A 50 13.464 -0.864 -3.347 1.00 3.72 C ATOM 792 CD2 LEU A 50 13.887 -3.305 -3.663 1.00 3.37 C ATOM 0 H LEU A 50 15.304 -3.705 -6.028 1.00 1.40 H new ATOM 0 HA LEU A 50 14.903 -1.553 -5.607 1.00 1.53 H new ATOM 0 HB2 LEU A 50 16.624 -2.280 -3.296 1.00 2.03 H new ATOM 0 HB3 LEU A 50 16.116 -0.618 -3.523 1.00 2.03 H new ATOM 0 HG LEU A 50 14.686 -2.106 -2.079 1.00 2.68 H new ATOM 0 HD11 LEU A 50 12.513 -1.150 -2.897 1.00 3.72 H new ATOM 0 HD12 LEU A 50 13.829 0.048 -2.875 1.00 3.72 H new ATOM 0 HD13 LEU A 50 13.323 -0.689 -4.414 1.00 3.72 H new ATOM 0 HD21 LEU A 50 12.921 -3.477 -3.189 1.00 3.37 H new ATOM 0 HD22 LEU A 50 13.756 -3.244 -4.743 1.00 3.37 H new ATOM 0 HD23 LEU A 50 14.560 -4.129 -3.425 1.00 3.37 H new ATOM 804 N LYS A 51 16.553 -0.845 -7.355 1.00 1.21 N ATOM 805 CA LYS A 51 17.237 -0.036 -8.353 1.00 1.23 C ATOM 806 C LYS A 51 16.973 1.468 -8.193 1.00 1.20 C ATOM 807 O LYS A 51 17.783 2.276 -8.639 1.00 1.29 O ATOM 808 CB LYS A 51 16.779 -0.517 -9.735 1.00 1.17 C ATOM 809 CG LYS A 51 15.268 -0.299 -9.938 1.00 1.04 C ATOM 810 CD LYS A 51 14.962 1.014 -10.679 1.00 1.16 C ATOM 811 CE LYS A 51 14.852 0.833 -12.195 1.00 1.38 C ATOM 812 NZ LYS A 51 16.159 0.521 -12.808 1.00 2.08 N ATOM 0 H LYS A 51 15.786 -1.382 -7.759 1.00 1.21 H new ATOM 0 HA LYS A 51 18.312 -0.162 -8.226 1.00 1.23 H new ATOM 0 HB2 LYS A 51 17.331 0.017 -10.508 1.00 1.17 H new ATOM 0 HB3 LYS A 51 17.013 -1.575 -9.849 1.00 1.17 H new ATOM 0 HG2 LYS A 51 14.855 -1.136 -10.501 1.00 1.04 H new ATOM 0 HG3 LYS A 51 14.771 -0.291 -8.968 1.00 1.04 H new ATOM 0 HD2 LYS A 51 14.029 1.430 -10.300 1.00 1.16 H new ATOM 0 HD3 LYS A 51 15.746 1.739 -10.461 1.00 1.16 H new ATOM 0 HE2 LYS A 51 14.147 0.031 -12.415 1.00 1.38 H new ATOM 0 HE3 LYS A 51 14.449 1.742 -12.641 1.00 1.38 H new ATOM 0 HZ1 LYS A 51 16.059 0.490 -13.843 1.00 2.08 H new ATOM 0 HZ2 LYS A 51 16.848 1.256 -12.549 1.00 2.08 H new ATOM 0 HZ3 LYS A 51 16.492 -0.402 -12.464 1.00 2.08 H new ATOM 826 N ASP A 52 15.799 1.812 -7.656 1.00 1.10 N ATOM 827 CA ASP A 52 15.419 3.089 -7.076 1.00 1.11 C ATOM 828 C ASP A 52 15.781 4.323 -7.898 1.00 1.05 C ATOM 829 O ASP A 52 16.856 4.894 -7.731 1.00 1.26 O ATOM 830 CB ASP A 52 15.868 3.114 -5.610 1.00 1.44 C ATOM 831 CG ASP A 52 15.185 2.017 -4.794 1.00 1.69 C ATOM 832 OD1 ASP A 52 14.682 1.052 -5.425 1.00 2.49 O ATOM 833 OD2 ASP A 52 15.180 2.160 -3.554 1.00 2.51 O ATOM 0 H ASP A 52 15.030 1.143 -7.616 1.00 1.10 H new ATOM 0 HA ASP A 52 14.332 3.163 -7.101 1.00 1.11 H new ATOM 0 HB2 ASP A 52 16.949 2.987 -5.558 1.00 1.44 H new ATOM 0 HB3 ASP A 52 15.640 4.087 -5.175 1.00 1.44 H new ATOM 838 N VAL A 53 14.853 4.755 -8.771 1.00 0.96 N ATOM 839 CA VAL A 53 15.057 5.908 -9.636 1.00 1.02 C ATOM 840 C VAL A 53 13.814 6.791 -9.814 1.00 0.91 C ATOM 841 O VAL A 53 12.672 6.321 -9.855 1.00 1.43 O ATOM 842 CB VAL A 53 15.666 5.445 -10.970 1.00 1.58 C ATOM 843 CG1 VAL A 53 14.656 4.668 -11.824 1.00 2.00 C ATOM 844 CG2 VAL A 53 16.226 6.623 -11.774 1.00 2.20 C ATOM 0 H VAL A 53 13.944 4.308 -8.889 1.00 0.96 H new ATOM 0 HA VAL A 53 15.765 6.570 -9.138 1.00 1.02 H new ATOM 0 HB VAL A 53 16.486 4.774 -10.715 1.00 1.58 H new ATOM 0 HG11 VAL A 53 15.129 4.360 -12.757 1.00 2.00 H new ATOM 0 HG12 VAL A 53 14.321 3.786 -11.279 1.00 2.00 H new ATOM 0 HG13 VAL A 53 13.799 5.305 -12.044 1.00 2.00 H new ATOM 0 HG21 VAL A 53 16.648 6.257 -12.710 1.00 2.20 H new ATOM 0 HG22 VAL A 53 15.425 7.330 -11.989 1.00 2.20 H new ATOM 0 HG23 VAL A 53 17.004 7.121 -11.196 1.00 2.20 H new ATOM 854 N GLY A 54 14.043 8.102 -9.929 1.00 0.96 N ATOM 855 CA GLY A 54 13.060 9.113 -10.264 1.00 1.07 C ATOM 856 C GLY A 54 12.253 9.470 -9.029 1.00 0.94 C ATOM 857 O GLY A 54 12.343 10.573 -8.498 1.00 1.03 O ATOM 0 H GLY A 54 14.971 8.498 -9.781 1.00 0.96 H new ATOM 0 HA2 GLY A 54 13.556 10.001 -10.655 1.00 1.07 H new ATOM 0 HA3 GLY A 54 12.399 8.745 -11.049 1.00 1.07 H new ATOM 861 N SER A 55 11.449 8.518 -8.559 1.00 0.89 N ATOM 862 CA SER A 55 10.717 8.706 -7.317 1.00 0.89 C ATOM 863 C SER A 55 11.612 8.428 -6.108 1.00 0.80 C ATOM 864 O SER A 55 11.310 8.866 -5.003 1.00 0.85 O ATOM 865 CB SER A 55 9.388 7.962 -7.337 1.00 1.01 C ATOM 866 OG SER A 55 8.651 8.381 -8.473 1.00 1.30 O ATOM 0 H SER A 55 11.292 7.620 -9.016 1.00 0.89 H new ATOM 0 HA SER A 55 10.434 9.754 -7.216 1.00 0.89 H new ATOM 0 HB2 SER A 55 9.558 6.886 -7.372 1.00 1.01 H new ATOM 0 HB3 SER A 55 8.826 8.167 -6.425 1.00 1.01 H new ATOM 0 HG SER A 55 7.793 7.908 -8.499 1.00 1.30 H new ATOM 872 N LEU A 56 12.743 7.743 -6.294 1.00 0.75 N ATOM 873 CA LEU A 56 13.824 7.820 -5.320 1.00 0.75 C ATOM 874 C LEU A 56 14.176 9.293 -5.143 1.00 0.83 C ATOM 875 O LEU A 56 14.033 9.849 -4.055 1.00 0.78 O ATOM 876 CB LEU A 56 15.019 6.997 -5.814 1.00 0.92 C ATOM 877 CG LEU A 56 16.263 6.990 -4.903 1.00 1.49 C ATOM 878 CD1 LEU A 56 17.102 8.275 -4.964 1.00 1.56 C ATOM 879 CD2 LEU A 56 15.922 6.646 -3.448 1.00 2.77 C ATOM 0 H LEU A 56 12.929 7.141 -7.096 1.00 0.75 H new ATOM 0 HA LEU A 56 13.528 7.405 -4.356 1.00 0.75 H new ATOM 0 HB2 LEU A 56 14.691 5.967 -5.954 1.00 0.92 H new ATOM 0 HB3 LEU A 56 15.313 7.374 -6.793 1.00 0.92 H new ATOM 0 HG LEU A 56 16.885 6.195 -5.313 1.00 1.49 H new ATOM 0 HD11 LEU A 56 17.956 8.184 -4.293 1.00 1.56 H new ATOM 0 HD12 LEU A 56 17.456 8.430 -5.983 1.00 1.56 H new ATOM 0 HD13 LEU A 56 16.490 9.124 -4.659 1.00 1.56 H new ATOM 0 HD21 LEU A 56 16.833 6.655 -2.849 1.00 2.77 H new ATOM 0 HD22 LEU A 56 15.222 7.383 -3.054 1.00 2.77 H new ATOM 0 HD23 LEU A 56 15.469 5.656 -3.405 1.00 2.77 H new ATOM 891 N ASP A 57 14.592 9.920 -6.245 1.00 1.12 N ATOM 892 CA ASP A 57 15.051 11.293 -6.290 1.00 1.43 C ATOM 893 C ASP A 57 14.004 12.207 -5.656 1.00 1.45 C ATOM 894 O ASP A 57 14.320 12.959 -4.738 1.00 1.58 O ATOM 895 CB ASP A 57 15.378 11.697 -7.739 1.00 1.79 C ATOM 896 CG ASP A 57 16.251 10.678 -8.470 1.00 4.04 C ATOM 897 OD1 ASP A 57 15.795 9.513 -8.576 1.00 5.39 O ATOM 898 OD2 ASP A 57 17.345 11.074 -8.917 1.00 5.03 O ATOM 0 H ASP A 57 14.616 9.463 -7.157 1.00 1.12 H new ATOM 0 HA ASP A 57 15.971 11.394 -5.714 1.00 1.43 H new ATOM 0 HB2 ASP A 57 14.447 11.829 -8.291 1.00 1.79 H new ATOM 0 HB3 ASP A 57 15.885 12.662 -7.734 1.00 1.79 H new ATOM 903 N GLU A 58 12.745 12.131 -6.098 1.00 1.39 N ATOM 904 CA GLU A 58 11.692 12.942 -5.498 1.00 1.54 C ATOM 905 C GLU A 58 11.527 12.677 -4.001 1.00 1.38 C ATOM 906 O GLU A 58 11.500 13.602 -3.186 1.00 1.60 O ATOM 907 CB GLU A 58 10.371 12.833 -6.273 1.00 1.66 C ATOM 908 CG GLU A 58 10.498 13.435 -7.688 1.00 2.59 C ATOM 909 CD GLU A 58 11.157 14.811 -7.672 1.00 3.90 C ATOM 910 OE1 GLU A 58 10.771 15.644 -6.822 1.00 4.12 O ATOM 911 OE2 GLU A 58 12.189 15.005 -8.353 1.00 5.43 O ATOM 0 H GLU A 58 12.437 11.524 -6.858 1.00 1.39 H new ATOM 0 HA GLU A 58 12.012 13.981 -5.579 1.00 1.54 H new ATOM 0 HB2 GLU A 58 10.076 11.786 -6.346 1.00 1.66 H new ATOM 0 HB3 GLU A 58 9.582 13.349 -5.726 1.00 1.66 H new ATOM 0 HG2 GLU A 58 11.081 12.762 -8.316 1.00 2.59 H new ATOM 0 HG3 GLU A 58 9.508 13.513 -8.138 1.00 2.59 H new ATOM 918 N LYS A 59 11.446 11.412 -3.608 1.00 1.06 N ATOM 919 CA LYS A 59 11.243 11.068 -2.212 1.00 0.99 C ATOM 920 C LYS A 59 12.426 11.512 -1.344 1.00 0.88 C ATOM 921 O LYS A 59 12.253 11.767 -0.152 1.00 0.80 O ATOM 922 CB LYS A 59 10.969 9.572 -2.147 1.00 0.90 C ATOM 923 CG LYS A 59 10.135 9.120 -0.962 1.00 0.87 C ATOM 924 CD LYS A 59 9.614 7.699 -1.216 1.00 0.84 C ATOM 925 CE LYS A 59 10.618 6.650 -1.714 1.00 0.90 C ATOM 926 NZ LYS A 59 10.945 6.730 -3.163 1.00 1.20 N ATOM 0 H LYS A 59 11.518 10.612 -4.236 1.00 1.06 H new ATOM 0 HA LYS A 59 10.387 11.602 -1.799 1.00 0.99 H new ATOM 0 HB2 LYS A 59 10.462 9.271 -3.064 1.00 0.90 H new ATOM 0 HB3 LYS A 59 11.923 9.045 -2.122 1.00 0.90 H new ATOM 0 HG2 LYS A 59 10.735 9.142 -0.052 1.00 0.87 H new ATOM 0 HG3 LYS A 59 9.300 9.803 -0.810 1.00 0.87 H new ATOM 0 HD2 LYS A 59 9.177 7.331 -0.288 1.00 0.84 H new ATOM 0 HD3 LYS A 59 8.806 7.763 -1.945 1.00 0.84 H new ATOM 0 HE2 LYS A 59 11.541 6.752 -1.143 1.00 0.90 H new ATOM 0 HE3 LYS A 59 10.220 5.658 -1.501 1.00 0.90 H new ATOM 0 HZ1 LYS A 59 11.690 6.041 -3.389 1.00 1.20 H new ATOM 0 HZ2 LYS A 59 10.095 6.517 -3.723 1.00 1.20 H new ATOM 0 HZ3 LYS A 59 11.279 7.688 -3.391 1.00 1.20 H new ATOM 940 N MET A 60 13.614 11.667 -1.939 1.00 1.03 N ATOM 941 CA MET A 60 14.768 12.231 -1.258 1.00 1.08 C ATOM 942 C MET A 60 14.433 13.631 -0.736 1.00 1.07 C ATOM 943 O MET A 60 14.761 13.956 0.402 1.00 1.14 O ATOM 944 CB MET A 60 16.004 12.230 -2.166 1.00 1.23 C ATOM 945 CG MET A 60 17.284 12.494 -1.365 1.00 1.29 C ATOM 946 SD MET A 60 18.801 12.402 -2.347 1.00 1.75 S ATOM 947 CE MET A 60 20.019 12.792 -1.072 1.00 2.61 C ATOM 0 H MET A 60 13.795 11.402 -2.907 1.00 1.03 H new ATOM 0 HA MET A 60 15.014 11.605 -0.401 1.00 1.08 H new ATOM 0 HB2 MET A 60 16.083 11.270 -2.675 1.00 1.23 H new ATOM 0 HB3 MET A 60 15.892 12.992 -2.938 1.00 1.23 H new ATOM 0 HG2 MET A 60 17.218 13.482 -0.910 1.00 1.29 H new ATOM 0 HG3 MET A 60 17.346 11.772 -0.551 1.00 1.29 H new ATOM 0 HE1 MET A 60 21.018 12.779 -1.507 1.00 2.61 H new ATOM 0 HE2 MET A 60 19.814 13.782 -0.664 1.00 2.61 H new ATOM 0 HE3 MET A 60 19.961 12.051 -0.275 1.00 2.61 H new ATOM 957 N LYS A 61 13.738 14.447 -1.538 1.00 1.07 N ATOM 958 CA LYS A 61 13.288 15.756 -1.076 1.00 1.17 C ATOM 959 C LYS A 61 12.337 15.551 0.105 1.00 1.01 C ATOM 960 O LYS A 61 12.422 16.252 1.111 1.00 1.13 O ATOM 961 CB LYS A 61 12.588 16.566 -2.181 1.00 1.41 C ATOM 962 CG LYS A 61 13.486 17.008 -3.350 1.00 2.03 C ATOM 963 CD LYS A 61 13.936 15.831 -4.211 1.00 2.25 C ATOM 964 CE LYS A 61 14.333 16.175 -5.657 1.00 2.71 C ATOM 965 NZ LYS A 61 13.182 16.539 -6.517 1.00 2.61 N ATOM 0 H LYS A 61 13.480 14.223 -2.499 1.00 1.07 H new ATOM 0 HA LYS A 61 14.164 16.331 -0.776 1.00 1.17 H new ATOM 0 HB2 LYS A 61 11.769 15.969 -2.581 1.00 1.41 H new ATOM 0 HB3 LYS A 61 12.145 17.454 -1.731 1.00 1.41 H new ATOM 0 HG2 LYS A 61 12.946 17.723 -3.970 1.00 2.03 H new ATOM 0 HG3 LYS A 61 14.362 17.524 -2.957 1.00 2.03 H new ATOM 0 HD2 LYS A 61 14.786 15.353 -3.724 1.00 2.25 H new ATOM 0 HD3 LYS A 61 13.131 15.097 -4.240 1.00 2.25 H new ATOM 0 HE2 LYS A 61 15.042 17.003 -5.643 1.00 2.71 H new ATOM 0 HE3 LYS A 61 14.849 15.321 -6.096 1.00 2.71 H new ATOM 0 HZ1 LYS A 61 13.248 16.028 -7.420 1.00 2.61 H new ATOM 0 HZ2 LYS A 61 12.296 16.282 -6.038 1.00 2.61 H new ATOM 0 HZ3 LYS A 61 13.194 17.563 -6.697 1.00 2.61 H new ATOM 979 N SER A 62 11.429 14.580 -0.036 1.00 0.89 N ATOM 980 CA SER A 62 10.381 14.312 0.944 1.00 0.98 C ATOM 981 C SER A 62 10.934 14.098 2.359 1.00 0.93 C ATOM 982 O SER A 62 10.368 14.654 3.298 1.00 1.13 O ATOM 983 CB SER A 62 9.485 13.147 0.503 1.00 1.08 C ATOM 984 OG SER A 62 8.265 13.156 1.222 1.00 1.80 O ATOM 0 H SER A 62 11.404 13.955 -0.842 1.00 0.89 H new ATOM 0 HA SER A 62 9.762 15.208 0.990 1.00 0.98 H new ATOM 0 HB2 SER A 62 9.284 13.220 -0.566 1.00 1.08 H new ATOM 0 HB3 SER A 62 10.002 12.202 0.666 1.00 1.08 H new ATOM 0 HG SER A 62 7.706 12.407 0.927 1.00 1.80 H new ATOM 990 N LEU A 63 11.995 13.297 2.544 1.00 0.80 N ATOM 991 CA LEU A 63 12.632 13.234 3.864 1.00 0.95 C ATOM 992 C LEU A 63 13.512 14.464 4.100 1.00 1.03 C ATOM 993 O LEU A 63 13.373 15.098 5.146 1.00 1.18 O ATOM 994 CB LEU A 63 13.326 11.907 4.270 1.00 1.13 C ATOM 995 CG LEU A 63 13.644 10.780 3.279 1.00 1.49 C ATOM 996 CD1 LEU A 63 12.441 10.104 2.606 1.00 1.64 C ATOM 997 CD2 LEU A 63 14.677 11.250 2.261 1.00 2.73 C ATOM 0 H LEU A 63 12.415 12.706 1.826 1.00 0.80 H new ATOM 0 HA LEU A 63 11.790 13.247 4.557 1.00 0.95 H new ATOM 0 HB2 LEU A 63 14.273 12.185 4.733 1.00 1.13 H new ATOM 0 HB3 LEU A 63 12.708 11.464 5.051 1.00 1.13 H new ATOM 0 HG LEU A 63 14.060 9.979 3.890 1.00 1.49 H new ATOM 0 HD11 LEU A 63 12.793 9.326 1.929 1.00 1.64 H new ATOM 0 HD12 LEU A 63 11.800 9.660 3.368 1.00 1.64 H new ATOM 0 HD13 LEU A 63 11.875 10.846 2.043 1.00 1.64 H new ATOM 0 HD21 LEU A 63 14.894 10.441 1.563 1.00 2.73 H new ATOM 0 HD22 LEU A 63 14.284 12.106 1.713 1.00 2.73 H new ATOM 0 HD23 LEU A 63 15.592 11.539 2.778 1.00 2.73 H new ATOM 1009 N ASP A 64 14.398 14.806 3.155 1.00 0.99 N ATOM 1010 CA ASP A 64 15.369 15.887 3.320 1.00 1.15 C ATOM 1011 C ASP A 64 14.740 17.153 3.911 1.00 1.28 C ATOM 1012 O ASP A 64 15.250 17.693 4.893 1.00 1.44 O ATOM 1013 CB ASP A 64 16.029 16.196 1.973 1.00 1.14 C ATOM 1014 CG ASP A 64 16.974 17.383 2.069 1.00 1.44 C ATOM 1015 OD1 ASP A 64 18.136 17.150 2.461 1.00 1.81 O ATOM 1016 OD2 ASP A 64 16.513 18.494 1.732 1.00 2.64 O ATOM 0 H ASP A 64 14.459 14.336 2.252 1.00 0.99 H new ATOM 0 HA ASP A 64 16.123 15.549 4.031 1.00 1.15 H new ATOM 0 HB2 ASP A 64 16.579 15.320 1.628 1.00 1.14 H new ATOM 0 HB3 ASP A 64 15.259 16.403 1.230 1.00 1.14 H new ATOM 1021 N VAL A 65 13.616 17.592 3.336 1.00 1.26 N ATOM 1022 CA VAL A 65 12.976 18.850 3.693 1.00 1.42 C ATOM 1023 C VAL A 65 12.646 18.935 5.188 1.00 1.49 C ATOM 1024 O VAL A 65 12.943 19.948 5.818 1.00 1.71 O ATOM 1025 CB VAL A 65 11.759 19.113 2.785 1.00 1.56 C ATOM 1026 CG1 VAL A 65 10.592 18.145 3.022 1.00 2.09 C ATOM 1027 CG2 VAL A 65 11.253 20.551 2.956 1.00 2.40 C ATOM 0 H VAL A 65 13.126 17.076 2.605 1.00 1.26 H new ATOM 0 HA VAL A 65 13.689 19.655 3.516 1.00 1.42 H new ATOM 0 HB VAL A 65 12.116 18.951 1.768 1.00 1.56 H new ATOM 0 HG11 VAL A 65 9.772 18.391 2.347 1.00 2.09 H new ATOM 0 HG12 VAL A 65 10.922 17.124 2.833 1.00 2.09 H new ATOM 0 HG13 VAL A 65 10.251 18.231 4.054 1.00 2.09 H new ATOM 0 HG21 VAL A 65 10.394 20.714 2.306 1.00 2.40 H new ATOM 0 HG22 VAL A 65 10.959 20.712 3.993 1.00 2.40 H new ATOM 0 HG23 VAL A 65 12.046 21.250 2.691 1.00 2.40 H new ATOM 1037 N ASN A 66 12.017 17.900 5.761 1.00 1.34 N ATOM 1038 CA ASN A 66 11.652 17.898 7.176 1.00 1.44 C ATOM 1039 C ASN A 66 11.326 16.486 7.671 1.00 1.44 C ATOM 1040 O ASN A 66 10.212 16.184 8.102 1.00 1.62 O ATOM 1041 CB ASN A 66 10.510 18.885 7.477 1.00 1.66 C ATOM 1042 CG ASN A 66 10.496 19.183 8.973 1.00 1.57 C ATOM 1043 OD1 ASN A 66 11.078 20.164 9.423 1.00 2.18 O ATOM 1044 ND2 ASN A 66 9.882 18.301 9.743 1.00 2.99 N ATOM 0 H ASN A 66 11.751 17.052 5.260 1.00 1.34 H new ATOM 0 HA ASN A 66 12.524 18.243 7.732 1.00 1.44 H new ATOM 0 HB2 ASN A 66 10.649 19.806 6.910 1.00 1.66 H new ATOM 0 HB3 ASN A 66 9.554 18.461 7.168 1.00 1.66 H new ATOM 0 HD21 ASN A 66 9.880 18.422 10.756 1.00 2.99 H new ATOM 0 HD22 ASN A 66 9.410 17.499 9.324 1.00 2.99 H new ATOM 1051 N GLN A 67 12.315 15.599 7.616 1.00 1.32 N ATOM 1052 CA GLN A 67 12.148 14.211 8.003 1.00 1.36 C ATOM 1053 C GLN A 67 11.472 13.970 9.354 1.00 1.71 C ATOM 1054 O GLN A 67 10.792 12.954 9.520 1.00 1.92 O ATOM 1055 CB GLN A 67 13.487 13.476 7.985 1.00 1.30 C ATOM 1056 CG GLN A 67 14.686 14.284 8.514 1.00 1.48 C ATOM 1057 CD GLN A 67 15.424 14.966 7.368 1.00 2.09 C ATOM 1058 OE1 GLN A 67 16.037 14.283 6.551 1.00 2.62 O ATOM 1059 NE2 GLN A 67 15.338 16.292 7.286 1.00 2.84 N ATOM 0 H GLN A 67 13.257 15.829 7.300 1.00 1.32 H new ATOM 0 HA GLN A 67 11.465 13.816 7.252 1.00 1.36 H new ATOM 0 HB2 GLN A 67 13.392 12.567 8.578 1.00 1.30 H new ATOM 0 HB3 GLN A 67 13.700 13.168 6.961 1.00 1.30 H new ATOM 0 HG2 GLN A 67 14.340 15.032 9.227 1.00 1.48 H new ATOM 0 HG3 GLN A 67 15.368 13.624 9.050 1.00 1.48 H new ATOM 0 HE21 GLN A 67 14.817 16.814 7.990 1.00 2.84 H new ATOM 0 HE22 GLN A 67 15.794 16.786 6.519 1.00 2.84 H new ATOM 1068 N ASP A 68 11.694 14.847 10.336 1.00 1.84 N ATOM 1069 CA ASP A 68 11.206 14.602 11.685 1.00 2.10 C ATOM 1070 C ASP A 68 9.677 14.746 11.786 1.00 2.36 C ATOM 1071 O ASP A 68 9.108 14.455 12.835 1.00 2.77 O ATOM 1072 CB ASP A 68 11.957 15.460 12.717 1.00 1.94 C ATOM 1073 CG ASP A 68 11.307 16.811 12.996 1.00 3.38 C ATOM 1074 OD1 ASP A 68 10.827 17.425 12.021 1.00 4.95 O ATOM 1075 OD2 ASP A 68 11.320 17.215 14.177 1.00 3.72 O ATOM 0 H ASP A 68 12.204 15.723 10.220 1.00 1.84 H new ATOM 0 HA ASP A 68 11.422 13.561 11.927 1.00 2.10 H new ATOM 0 HB2 ASP A 68 12.029 14.904 13.652 1.00 1.94 H new ATOM 0 HB3 ASP A 68 12.975 15.625 12.364 1.00 1.94 H new ATOM 1080 N SER A 69 8.989 15.122 10.695 1.00 2.21 N ATOM 1081 CA SER A 69 7.531 15.198 10.680 1.00 2.47 C ATOM 1082 C SER A 69 6.858 13.850 10.969 1.00 2.56 C ATOM 1083 O SER A 69 5.673 13.835 11.315 1.00 4.14 O ATOM 1084 CB SER A 69 7.052 15.728 9.327 1.00 2.41 C ATOM 1085 OG SER A 69 7.604 16.999 9.068 1.00 2.96 O ATOM 0 H SER A 69 9.428 15.378 9.811 1.00 2.21 H new ATOM 0 HA SER A 69 7.243 15.880 11.480 1.00 2.47 H new ATOM 0 HB2 SER A 69 7.338 15.034 8.537 1.00 2.41 H new ATOM 0 HB3 SER A 69 5.964 15.790 9.319 1.00 2.41 H new ATOM 0 HG SER A 69 7.288 17.322 8.198 1.00 2.96 H new ATOM 1091 N GLU A 70 7.584 12.745 10.759 1.00 1.77 N ATOM 1092 CA GLU A 70 7.147 11.359 10.913 1.00 1.56 C ATOM 1093 C GLU A 70 6.151 10.923 9.851 1.00 1.43 C ATOM 1094 O GLU A 70 5.246 11.668 9.463 1.00 1.64 O ATOM 1095 CB GLU A 70 6.591 11.033 12.307 1.00 1.46 C ATOM 1096 CG GLU A 70 7.723 10.888 13.319 1.00 2.20 C ATOM 1097 CD GLU A 70 7.192 10.699 14.734 1.00 2.60 C ATOM 1098 OE1 GLU A 70 6.109 11.240 15.062 1.00 2.69 O ATOM 1099 OE2 GLU A 70 7.821 9.955 15.517 1.00 3.70 O ATOM 0 H GLU A 70 8.557 12.803 10.457 1.00 1.77 H new ATOM 0 HA GLU A 70 8.064 10.785 10.781 1.00 1.56 H new ATOM 0 HB2 GLU A 70 5.910 11.822 12.626 1.00 1.46 H new ATOM 0 HB3 GLU A 70 6.012 10.110 12.266 1.00 1.46 H new ATOM 0 HG2 GLU A 70 8.347 10.037 13.048 1.00 2.20 H new ATOM 0 HG3 GLU A 70 8.358 11.773 13.284 1.00 2.20 H new ATOM 1106 N LEU A 71 6.279 9.661 9.447 1.00 1.38 N ATOM 1107 CA LEU A 71 5.321 9.052 8.541 1.00 1.29 C ATOM 1108 C LEU A 71 4.129 8.555 9.340 1.00 1.11 C ATOM 1109 O LEU A 71 4.191 8.402 10.557 1.00 1.16 O ATOM 1110 CB LEU A 71 5.952 7.918 7.731 1.00 1.44 C ATOM 1111 CG LEU A 71 6.961 8.430 6.700 1.00 1.56 C ATOM 1112 CD1 LEU A 71 7.663 7.242 6.048 1.00 2.12 C ATOM 1113 CD2 LEU A 71 6.292 9.282 5.610 1.00 2.97 C ATOM 0 H LEU A 71 7.038 9.044 9.735 1.00 1.38 H new ATOM 0 HA LEU A 71 4.989 9.803 7.824 1.00 1.29 H new ATOM 0 HB2 LEU A 71 6.449 7.224 8.409 1.00 1.44 H new ATOM 0 HB3 LEU A 71 5.167 7.359 7.221 1.00 1.44 H new ATOM 0 HG LEU A 71 7.679 9.062 7.224 1.00 1.56 H new ATOM 0 HD11 LEU A 71 8.382 7.603 5.313 1.00 2.12 H new ATOM 0 HD12 LEU A 71 8.183 6.663 6.811 1.00 2.12 H new ATOM 0 HD13 LEU A 71 6.925 6.610 5.554 1.00 2.12 H new ATOM 0 HD21 LEU A 71 7.046 9.623 4.901 1.00 2.97 H new ATOM 0 HD22 LEU A 71 5.546 8.683 5.087 1.00 2.97 H new ATOM 0 HD23 LEU A 71 5.808 10.145 6.068 1.00 2.97 H new ATOM 1125 N LYS A 72 3.017 8.377 8.633 1.00 1.04 N ATOM 1126 CA LYS A 72 1.697 8.080 9.158 1.00 1.01 C ATOM 1127 C LYS A 72 1.064 7.185 8.088 1.00 1.00 C ATOM 1128 O LYS A 72 1.512 7.282 6.945 1.00 1.02 O ATOM 1129 CB LYS A 72 0.938 9.399 9.419 1.00 1.17 C ATOM 1130 CG LYS A 72 1.820 10.351 10.249 1.00 1.52 C ATOM 1131 CD LYS A 72 1.150 11.642 10.725 1.00 1.57 C ATOM 1132 CE LYS A 72 2.163 12.492 11.520 1.00 2.14 C ATOM 1133 NZ LYS A 72 3.286 12.992 10.692 1.00 3.22 N ATOM 0 H LYS A 72 3.019 8.441 7.615 1.00 1.04 H new ATOM 0 HA LYS A 72 1.692 7.568 10.120 1.00 1.01 H new ATOM 0 HB2 LYS A 72 0.670 9.869 8.473 1.00 1.17 H new ATOM 0 HB3 LYS A 72 0.007 9.195 9.949 1.00 1.17 H new ATOM 0 HG2 LYS A 72 2.182 9.809 11.123 1.00 1.52 H new ATOM 0 HG3 LYS A 72 2.694 10.617 9.654 1.00 1.52 H new ATOM 0 HD2 LYS A 72 0.779 12.207 9.870 1.00 1.57 H new ATOM 0 HD3 LYS A 72 0.289 11.407 11.350 1.00 1.57 H new ATOM 0 HE2 LYS A 72 1.644 13.340 11.966 1.00 2.14 H new ATOM 0 HE3 LYS A 72 2.563 11.896 12.340 1.00 2.14 H new ATOM 0 HZ1 LYS A 72 3.965 13.497 11.297 1.00 3.22 H new ATOM 0 HZ2 LYS A 72 3.762 12.190 10.232 1.00 3.22 H new ATOM 0 HZ3 LYS A 72 2.920 13.640 9.966 1.00 3.22 H new ATOM 1147 N PHE A 73 0.117 6.293 8.417 1.00 1.03 N ATOM 1148 CA PHE A 73 -0.187 5.125 7.580 1.00 0.89 C ATOM 1149 C PHE A 73 -0.308 5.490 6.101 1.00 0.73 C ATOM 1150 O PHE A 73 0.399 4.931 5.268 1.00 0.55 O ATOM 1151 CB PHE A 73 -1.462 4.385 8.025 1.00 1.13 C ATOM 1152 CG PHE A 73 -1.488 3.819 9.432 1.00 1.23 C ATOM 1153 CD1 PHE A 73 -0.434 3.007 9.894 1.00 2.99 C ATOM 1154 CD2 PHE A 73 -2.671 3.915 10.192 1.00 2.11 C ATOM 1155 CE1 PHE A 73 -0.570 2.290 11.094 1.00 4.57 C ATOM 1156 CE2 PHE A 73 -2.772 3.262 11.431 1.00 3.43 C ATOM 1157 CZ PHE A 73 -1.723 2.444 11.881 1.00 4.57 C ATOM 0 H PHE A 73 -0.453 6.360 9.260 1.00 1.03 H new ATOM 0 HA PHE A 73 0.662 4.454 7.712 1.00 0.89 H new ATOM 0 HB2 PHE A 73 -2.302 5.072 7.923 1.00 1.13 H new ATOM 0 HB3 PHE A 73 -1.635 3.564 7.329 1.00 1.13 H new ATOM 0 HD1 PHE A 73 0.481 2.936 9.324 1.00 2.99 H new ATOM 0 HD2 PHE A 73 -3.504 4.493 9.820 1.00 2.11 H new ATOM 0 HE1 PHE A 73 0.214 1.619 11.412 1.00 4.57 H new ATOM 0 HE2 PHE A 73 -3.656 3.389 12.038 1.00 3.43 H new ATOM 0 HZ PHE A 73 -1.803 1.935 12.830 1.00 4.57 H new ATOM 1167 N ASN A 74 -1.194 6.439 5.788 1.00 0.96 N ATOM 1168 CA ASN A 74 -1.415 6.885 4.421 1.00 1.02 C ATOM 1169 C ASN A 74 -0.119 7.411 3.801 1.00 0.83 C ATOM 1170 O ASN A 74 0.299 6.934 2.755 1.00 0.84 O ATOM 1171 CB ASN A 74 -2.529 7.941 4.353 1.00 1.39 C ATOM 1172 CG ASN A 74 -2.860 8.297 2.904 1.00 3.16 C ATOM 1173 OD1 ASN A 74 -2.335 7.695 1.975 1.00 4.60 O ATOM 1174 ND2 ASN A 74 -3.741 9.262 2.685 1.00 3.91 N ATOM 0 H ASN A 74 -1.775 6.916 6.478 1.00 0.96 H new ATOM 0 HA ASN A 74 -1.741 6.023 3.838 1.00 1.02 H new ATOM 0 HB2 ASN A 74 -3.422 7.565 4.852 1.00 1.39 H new ATOM 0 HB3 ASN A 74 -2.218 8.838 4.889 1.00 1.39 H new ATOM 0 HD21 ASN A 74 -3.993 9.515 1.730 1.00 3.91 H new ATOM 0 HD22 ASN A 74 -4.167 9.752 3.472 1.00 3.91 H new ATOM 1181 N GLU A 75 0.538 8.387 4.435 1.00 0.93 N ATOM 1182 CA GLU A 75 1.722 9.006 3.851 1.00 0.93 C ATOM 1183 C GLU A 75 2.811 7.958 3.595 1.00 0.73 C ATOM 1184 O GLU A 75 3.414 7.912 2.523 1.00 0.65 O ATOM 1185 CB GLU A 75 2.207 10.176 4.723 1.00 1.23 C ATOM 1186 CG GLU A 75 2.872 11.262 3.865 1.00 1.96 C ATOM 1187 CD GLU A 75 1.859 11.933 2.944 1.00 3.37 C ATOM 1188 OE1 GLU A 75 0.988 12.660 3.466 1.00 3.59 O ATOM 1189 OE2 GLU A 75 1.878 11.640 1.729 1.00 4.94 O ATOM 0 H GLU A 75 0.269 8.760 5.345 1.00 0.93 H new ATOM 0 HA GLU A 75 1.463 9.427 2.880 1.00 0.93 H new ATOM 0 HB2 GLU A 75 1.364 10.603 5.267 1.00 1.23 H new ATOM 0 HB3 GLU A 75 2.915 9.811 5.467 1.00 1.23 H new ATOM 0 HG2 GLU A 75 3.331 12.010 4.512 1.00 1.96 H new ATOM 0 HG3 GLU A 75 3.672 10.821 3.270 1.00 1.96 H new ATOM 1196 N TYR A 76 3.023 7.074 4.573 1.00 0.74 N ATOM 1197 CA TYR A 76 3.891 5.920 4.415 1.00 0.68 C ATOM 1198 C TYR A 76 3.484 5.148 3.164 1.00 0.49 C ATOM 1199 O TYR A 76 4.324 4.884 2.311 1.00 0.51 O ATOM 1200 CB TYR A 76 3.808 5.040 5.663 1.00 0.75 C ATOM 1201 CG TYR A 76 4.871 3.965 5.753 1.00 1.28 C ATOM 1202 CD1 TYR A 76 4.701 2.736 5.088 1.00 1.57 C ATOM 1203 CD2 TYR A 76 5.920 4.114 6.673 1.00 2.87 C ATOM 1204 CE1 TYR A 76 5.533 1.647 5.400 1.00 1.93 C ATOM 1205 CE2 TYR A 76 6.676 2.999 7.063 1.00 3.51 C ATOM 1206 CZ TYR A 76 6.514 1.775 6.399 1.00 2.66 C ATOM 1207 OH TYR A 76 7.368 0.753 6.675 1.00 3.45 O ATOM 0 H TYR A 76 2.594 7.144 5.496 1.00 0.74 H new ATOM 0 HA TYR A 76 4.925 6.243 4.297 1.00 0.68 H new ATOM 0 HB2 TYR A 76 3.879 5.677 6.545 1.00 0.75 H new ATOM 0 HB3 TYR A 76 2.827 4.565 5.691 1.00 0.75 H new ATOM 0 HD1 TYR A 76 3.931 2.630 4.338 1.00 1.57 H new ATOM 0 HD2 TYR A 76 6.145 5.088 7.081 1.00 2.87 H new ATOM 0 HE1 TYR A 76 5.419 0.712 4.872 1.00 1.93 H new ATOM 0 HE2 TYR A 76 7.383 3.083 7.875 1.00 3.51 H new ATOM 0 HH TYR A 76 7.978 1.021 7.393 1.00 3.45 H new ATOM 1217 N TRP A 77 2.193 4.821 3.052 1.00 0.42 N ATOM 1218 CA TRP A 77 1.592 4.238 1.864 1.00 0.44 C ATOM 1219 C TRP A 77 2.072 4.963 0.605 1.00 0.43 C ATOM 1220 O TRP A 77 2.831 4.389 -0.172 1.00 0.50 O ATOM 1221 CB TRP A 77 0.066 4.265 1.975 1.00 0.48 C ATOM 1222 CG TRP A 77 -0.564 2.995 1.596 1.00 0.49 C ATOM 1223 CD1 TRP A 77 -0.874 2.652 0.339 1.00 0.51 C ATOM 1224 CD2 TRP A 77 -1.099 1.956 2.449 1.00 0.47 C ATOM 1225 NE1 TRP A 77 -1.440 1.411 0.333 1.00 0.52 N ATOM 1226 CE2 TRP A 77 -1.664 0.957 1.612 1.00 0.50 C ATOM 1227 CE3 TRP A 77 -1.245 1.799 3.841 1.00 0.44 C ATOM 1228 CZ2 TRP A 77 -2.328 -0.155 2.125 1.00 0.51 C ATOM 1229 CZ3 TRP A 77 -1.972 0.713 4.350 1.00 0.44 C ATOM 1230 CH2 TRP A 77 -2.497 -0.262 3.507 1.00 0.46 C ATOM 0 H TRP A 77 1.525 4.961 3.810 1.00 0.42 H new ATOM 0 HA TRP A 77 1.907 3.197 1.786 1.00 0.44 H new ATOM 0 HB2 TRP A 77 -0.213 4.510 3.000 1.00 0.48 H new ATOM 0 HB3 TRP A 77 -0.324 5.060 1.340 1.00 0.48 H new ATOM 0 HD1 TRP A 77 -0.702 3.263 -0.535 1.00 0.51 H new ATOM 0 HE1 TRP A 77 -1.668 0.887 -0.512 1.00 0.52 H new ATOM 0 HE3 TRP A 77 -0.798 2.514 4.516 1.00 0.44 H new ATOM 0 HZ2 TRP A 77 -2.706 -0.922 1.465 1.00 0.51 H new ATOM 0 HZ3 TRP A 77 -2.127 0.632 5.416 1.00 0.44 H new ATOM 0 HH2 TRP A 77 -3.035 -1.101 3.922 1.00 0.46 H new ATOM 1241 N ARG A 78 1.647 6.219 0.419 1.00 0.43 N ATOM 1242 CA ARG A 78 2.052 7.092 -0.671 1.00 0.56 C ATOM 1243 C ARG A 78 3.556 6.912 -0.985 1.00 0.57 C ATOM 1244 O ARG A 78 3.900 6.689 -2.146 1.00 0.68 O ATOM 1245 CB ARG A 78 1.673 8.564 -0.332 1.00 0.75 C ATOM 1246 CG ARG A 78 0.205 8.724 0.147 1.00 1.68 C ATOM 1247 CD ARG A 78 -0.605 9.969 -0.267 1.00 2.43 C ATOM 1248 NE ARG A 78 -0.569 11.029 0.764 1.00 3.01 N ATOM 1249 CZ ARG A 78 -1.604 11.724 1.292 1.00 4.31 C ATOM 1250 NH1 ARG A 78 -2.872 11.553 0.897 1.00 5.34 N ATOM 1251 NH2 ARG A 78 -1.370 12.627 2.246 1.00 5.02 N ATOM 0 H ARG A 78 0.985 6.665 1.054 1.00 0.43 H new ATOM 0 HA ARG A 78 1.516 6.820 -1.580 1.00 0.56 H new ATOM 0 HB2 ARG A 78 2.344 8.936 0.443 1.00 0.75 H new ATOM 0 HB3 ARG A 78 1.830 9.185 -1.214 1.00 0.75 H new ATOM 0 HG2 ARG A 78 -0.346 7.849 -0.196 1.00 1.68 H new ATOM 0 HG3 ARG A 78 0.213 8.689 1.236 1.00 1.68 H new ATOM 0 HD2 ARG A 78 -0.210 10.362 -1.204 1.00 2.43 H new ATOM 0 HD3 ARG A 78 -1.640 9.681 -0.454 1.00 2.43 H new ATOM 0 HE ARG A 78 0.355 11.267 1.124 1.00 3.01 H new ATOM 0 HH11 ARG A 78 -3.092 10.875 0.168 1.00 5.34 H new ATOM 0 HH12 ARG A 78 -3.618 12.101 1.326 1.00 5.34 H new ATOM 0 HH21 ARG A 78 -0.417 12.789 2.572 1.00 5.02 H new ATOM 0 HH22 ARG A 78 -2.144 13.155 2.649 1.00 5.02 H new ATOM 1265 N LEU A 79 4.447 6.928 0.020 1.00 0.51 N ATOM 1266 CA LEU A 79 5.878 6.677 -0.197 1.00 0.52 C ATOM 1267 C LEU A 79 6.187 5.239 -0.659 1.00 0.49 C ATOM 1268 O LEU A 79 6.933 5.075 -1.624 1.00 0.54 O ATOM 1269 CB LEU A 79 6.751 7.030 1.023 1.00 0.63 C ATOM 1270 CG LEU A 79 7.167 8.512 1.143 1.00 0.75 C ATOM 1271 CD1 LEU A 79 5.984 9.447 1.412 1.00 0.75 C ATOM 1272 CD2 LEU A 79 8.183 8.668 2.279 1.00 1.29 C ATOM 0 H LEU A 79 4.199 7.113 0.992 1.00 0.51 H new ATOM 0 HA LEU A 79 6.141 7.354 -1.010 1.00 0.52 H new ATOM 0 HB2 LEU A 79 6.210 6.749 1.927 1.00 0.63 H new ATOM 0 HB3 LEU A 79 7.654 6.420 0.989 1.00 0.63 H new ATOM 0 HG LEU A 79 7.600 8.795 0.183 1.00 0.75 H new ATOM 0 HD11 LEU A 79 6.341 10.474 1.486 1.00 0.75 H new ATOM 0 HD12 LEU A 79 5.267 9.370 0.595 1.00 0.75 H new ATOM 0 HD13 LEU A 79 5.501 9.163 2.347 1.00 0.75 H new ATOM 0 HD21 LEU A 79 8.477 9.714 2.363 1.00 1.29 H new ATOM 0 HD22 LEU A 79 7.734 8.340 3.216 1.00 1.29 H new ATOM 0 HD23 LEU A 79 9.063 8.060 2.066 1.00 1.29 H new ATOM 1284 N ILE A 80 5.698 4.172 -0.008 1.00 0.45 N ATOM 1285 CA ILE A 80 6.047 2.827 -0.491 1.00 0.47 C ATOM 1286 C ILE A 80 5.494 2.613 -1.906 1.00 0.44 C ATOM 1287 O ILE A 80 6.059 1.856 -2.688 1.00 0.47 O ATOM 1288 CB ILE A 80 5.725 1.641 0.448 1.00 0.48 C ATOM 1289 CG1 ILE A 80 4.288 1.143 0.257 1.00 0.55 C ATOM 1290 CG2 ILE A 80 6.008 1.956 1.907 1.00 0.49 C ATOM 1291 CD1 ILE A 80 3.892 -0.095 1.063 1.00 0.50 C ATOM 0 H ILE A 80 5.091 4.206 0.811 1.00 0.45 H new ATOM 0 HA ILE A 80 7.137 2.816 -0.509 1.00 0.47 H new ATOM 0 HB ILE A 80 6.400 0.834 0.164 1.00 0.48 H new ATOM 0 HG12 ILE A 80 3.607 1.953 0.516 1.00 0.55 H new ATOM 0 HG13 ILE A 80 4.138 0.926 -0.801 1.00 0.55 H new ATOM 0 HG21 ILE A 80 5.764 1.089 2.520 1.00 0.49 H new ATOM 0 HG22 ILE A 80 7.063 2.201 2.028 1.00 0.49 H new ATOM 0 HG23 ILE A 80 5.400 2.805 2.221 1.00 0.49 H new ATOM 0 HD11 ILE A 80 2.855 -0.354 0.847 1.00 0.50 H new ATOM 0 HD12 ILE A 80 4.539 -0.929 0.790 1.00 0.50 H new ATOM 0 HD13 ILE A 80 3.999 0.114 2.127 1.00 0.50 H new ATOM 1303 N GLY A 81 4.393 3.286 -2.245 1.00 0.43 N ATOM 1304 CA GLY A 81 3.886 3.353 -3.604 1.00 0.45 C ATOM 1305 C GLY A 81 4.958 3.828 -4.579 1.00 0.46 C ATOM 1306 O GLY A 81 5.035 3.369 -5.722 1.00 0.52 O ATOM 0 H GLY A 81 3.827 3.803 -1.572 1.00 0.43 H new ATOM 0 HA2 GLY A 81 3.526 2.370 -3.908 1.00 0.45 H new ATOM 0 HA3 GLY A 81 3.033 4.030 -3.642 1.00 0.45 H new ATOM 1310 N GLU A 82 5.774 4.788 -4.146 1.00 0.53 N ATOM 1311 CA GLU A 82 6.910 5.245 -4.920 1.00 0.57 C ATOM 1312 C GLU A 82 7.930 4.106 -4.998 1.00 0.57 C ATOM 1313 O GLU A 82 8.352 3.769 -6.097 1.00 0.64 O ATOM 1314 CB GLU A 82 7.412 6.589 -4.377 1.00 0.57 C ATOM 1315 CG GLU A 82 6.307 7.641 -4.547 1.00 0.72 C ATOM 1316 CD GLU A 82 6.661 9.006 -3.991 1.00 1.56 C ATOM 1317 OE1 GLU A 82 7.844 9.218 -3.659 1.00 2.89 O ATOM 1318 OE2 GLU A 82 5.703 9.810 -3.929 1.00 2.30 O ATOM 0 H GLU A 82 5.661 5.265 -3.251 1.00 0.53 H new ATOM 0 HA GLU A 82 6.651 5.471 -5.954 1.00 0.57 H new ATOM 0 HB2 GLU A 82 7.682 6.493 -3.325 1.00 0.57 H new ATOM 0 HB3 GLU A 82 8.311 6.898 -4.910 1.00 0.57 H new ATOM 0 HG2 GLU A 82 6.076 7.741 -5.607 1.00 0.72 H new ATOM 0 HG3 GLU A 82 5.402 7.284 -4.056 1.00 0.72 H new ATOM 1325 N LEU A 83 8.228 3.418 -3.888 1.00 0.53 N ATOM 1326 CA LEU A 83 9.032 2.189 -3.943 1.00 0.58 C ATOM 1327 C LEU A 83 8.524 1.201 -5.009 1.00 0.56 C ATOM 1328 O LEU A 83 9.300 0.772 -5.861 1.00 0.61 O ATOM 1329 CB LEU A 83 9.162 1.504 -2.575 1.00 0.67 C ATOM 1330 CG LEU A 83 10.573 1.610 -1.982 1.00 1.09 C ATOM 1331 CD1 LEU A 83 10.946 3.057 -1.649 1.00 2.70 C ATOM 1332 CD2 LEU A 83 10.635 0.784 -0.696 1.00 1.93 C ATOM 0 H LEU A 83 7.929 3.687 -2.951 1.00 0.53 H new ATOM 0 HA LEU A 83 10.031 2.506 -4.241 1.00 0.58 H new ATOM 0 HB2 LEU A 83 8.449 1.950 -1.882 1.00 0.67 H new ATOM 0 HB3 LEU A 83 8.894 0.452 -2.675 1.00 0.67 H new ATOM 0 HG LEU A 83 11.277 1.238 -2.726 1.00 1.09 H new ATOM 0 HD11 LEU A 83 11.953 3.086 -1.232 1.00 2.70 H new ATOM 0 HD12 LEU A 83 10.912 3.660 -2.557 1.00 2.70 H new ATOM 0 HD13 LEU A 83 10.240 3.457 -0.921 1.00 2.70 H new ATOM 0 HD21 LEU A 83 11.635 0.853 -0.267 1.00 1.93 H new ATOM 0 HD22 LEU A 83 9.906 1.167 0.018 1.00 1.93 H new ATOM 0 HD23 LEU A 83 10.408 -0.258 -0.922 1.00 1.93 H new ATOM 1344 N ALA A 84 7.238 0.830 -4.991 1.00 0.56 N ATOM 1345 CA ALA A 84 6.665 -0.034 -6.020 1.00 0.64 C ATOM 1346 C ALA A 84 6.960 0.482 -7.436 1.00 0.66 C ATOM 1347 O ALA A 84 7.321 -0.291 -8.321 1.00 0.78 O ATOM 1348 CB ALA A 84 5.159 -0.183 -5.786 1.00 0.63 C ATOM 0 H ALA A 84 6.576 1.118 -4.271 1.00 0.56 H new ATOM 0 HA ALA A 84 7.136 -1.014 -5.944 1.00 0.64 H new ATOM 0 HB1 ALA A 84 4.733 -0.828 -6.555 1.00 0.63 H new ATOM 0 HB2 ALA A 84 4.985 -0.625 -4.805 1.00 0.63 H new ATOM 0 HB3 ALA A 84 4.685 0.797 -5.832 1.00 0.63 H new ATOM 1354 N LYS A 85 6.809 1.792 -7.655 1.00 0.64 N ATOM 1355 CA LYS A 85 7.098 2.429 -8.935 1.00 0.74 C ATOM 1356 C LYS A 85 8.591 2.355 -9.296 1.00 0.75 C ATOM 1357 O LYS A 85 8.934 2.107 -10.450 1.00 0.91 O ATOM 1358 CB LYS A 85 6.561 3.864 -8.876 1.00 0.91 C ATOM 1359 CG LYS A 85 6.846 4.713 -10.120 1.00 1.16 C ATOM 1360 CD LYS A 85 8.186 5.450 -10.012 1.00 2.07 C ATOM 1361 CE LYS A 85 8.212 6.613 -11.007 1.00 2.58 C ATOM 1362 NZ LYS A 85 9.425 7.436 -10.829 1.00 3.43 N ATOM 0 H LYS A 85 6.480 2.441 -6.941 1.00 0.64 H new ATOM 0 HA LYS A 85 6.597 1.894 -9.742 1.00 0.74 H new ATOM 0 HB2 LYS A 85 5.483 3.827 -8.719 1.00 0.91 H new ATOM 0 HB3 LYS A 85 6.992 4.362 -8.008 1.00 0.91 H new ATOM 0 HG2 LYS A 85 6.853 4.073 -11.003 1.00 1.16 H new ATOM 0 HG3 LYS A 85 6.043 5.437 -10.258 1.00 1.16 H new ATOM 0 HD2 LYS A 85 8.327 5.823 -8.997 1.00 2.07 H new ATOM 0 HD3 LYS A 85 9.008 4.764 -10.217 1.00 2.07 H new ATOM 0 HE2 LYS A 85 8.177 6.226 -12.025 1.00 2.58 H new ATOM 0 HE3 LYS A 85 7.325 7.232 -10.871 1.00 2.58 H new ATOM 0 HZ1 LYS A 85 9.470 8.155 -11.579 1.00 3.43 H new ATOM 0 HZ2 LYS A 85 9.393 7.905 -9.901 1.00 3.43 H new ATOM 0 HZ3 LYS A 85 10.267 6.828 -10.881 1.00 3.43 H new ATOM 1376 N GLU A 86 9.470 2.620 -8.329 1.00 0.66 N ATOM 1377 CA GLU A 86 10.921 2.496 -8.398 1.00 0.73 C ATOM 1378 C GLU A 86 11.288 1.055 -8.799 1.00 0.82 C ATOM 1379 O GLU A 86 11.736 0.824 -9.924 1.00 0.95 O ATOM 1380 CB GLU A 86 11.473 2.935 -7.027 1.00 0.69 C ATOM 1381 CG GLU A 86 11.592 4.472 -6.955 1.00 0.84 C ATOM 1382 CD GLU A 86 11.332 5.060 -5.570 1.00 1.10 C ATOM 1383 OE1 GLU A 86 12.182 4.946 -4.662 1.00 2.00 O ATOM 1384 OE2 GLU A 86 10.298 5.741 -5.405 1.00 2.23 O ATOM 0 H GLU A 86 9.162 2.950 -7.414 1.00 0.66 H new ATOM 0 HA GLU A 86 11.370 3.133 -9.160 1.00 0.73 H new ATOM 0 HB2 GLU A 86 10.816 2.578 -6.234 1.00 0.69 H new ATOM 0 HB3 GLU A 86 12.450 2.481 -6.860 1.00 0.69 H new ATOM 0 HG2 GLU A 86 12.592 4.762 -7.278 1.00 0.84 H new ATOM 0 HG3 GLU A 86 10.888 4.912 -7.661 1.00 0.84 H new ATOM 1391 N ILE A 87 11.096 0.066 -7.918 1.00 0.81 N ATOM 1392 CA ILE A 87 11.429 -1.324 -8.226 1.00 0.94 C ATOM 1393 C ILE A 87 10.302 -1.991 -9.028 1.00 0.97 C ATOM 1394 O ILE A 87 9.414 -2.652 -8.487 1.00 1.00 O ATOM 1395 CB ILE A 87 11.879 -2.120 -6.983 1.00 1.03 C ATOM 1396 CG1 ILE A 87 12.227 -3.583 -7.333 1.00 1.64 C ATOM 1397 CG2 ILE A 87 10.889 -2.079 -5.809 1.00 1.15 C ATOM 1398 CD1 ILE A 87 13.380 -3.708 -8.334 1.00 1.20 C ATOM 0 H ILE A 87 10.710 0.206 -6.984 1.00 0.81 H new ATOM 0 HA ILE A 87 12.306 -1.325 -8.873 1.00 0.94 H new ATOM 0 HB ILE A 87 12.779 -1.607 -6.644 1.00 1.03 H new ATOM 0 HG12 ILE A 87 12.489 -4.116 -6.419 1.00 1.64 H new ATOM 0 HG13 ILE A 87 11.343 -4.071 -7.744 1.00 1.64 H new ATOM 0 HG21 ILE A 87 11.285 -2.664 -4.979 1.00 1.15 H new ATOM 0 HG22 ILE A 87 10.746 -1.047 -5.490 1.00 1.15 H new ATOM 0 HG23 ILE A 87 9.933 -2.497 -6.124 1.00 1.15 H new ATOM 0 HD11 ILE A 87 13.573 -4.761 -8.537 1.00 1.20 H new ATOM 0 HD12 ILE A 87 13.112 -3.203 -9.262 1.00 1.20 H new ATOM 0 HD13 ILE A 87 14.276 -3.248 -7.916 1.00 1.20 H new ATOM 1410 N ARG A 88 10.388 -1.893 -10.355 1.00 1.05 N ATOM 1411 CA ARG A 88 9.360 -2.413 -11.244 1.00 1.14 C ATOM 1412 C ARG A 88 9.555 -3.925 -11.413 1.00 1.22 C ATOM 1413 O ARG A 88 10.326 -4.371 -12.262 1.00 1.35 O ATOM 1414 CB ARG A 88 9.440 -1.695 -12.602 1.00 1.30 C ATOM 1415 CG ARG A 88 9.197 -0.187 -12.454 1.00 1.78 C ATOM 1416 CD ARG A 88 9.308 0.555 -13.791 1.00 1.88 C ATOM 1417 NE ARG A 88 8.250 0.152 -14.732 1.00 2.41 N ATOM 1418 CZ ARG A 88 8.181 0.532 -16.018 1.00 2.88 C ATOM 1419 NH1 ARG A 88 9.110 1.356 -16.517 1.00 2.68 N ATOM 1420 NH2 ARG A 88 7.189 0.089 -16.798 1.00 4.17 N ATOM 0 H ARG A 88 11.171 -1.452 -10.838 1.00 1.05 H new ATOM 0 HA ARG A 88 8.373 -2.233 -10.818 1.00 1.14 H new ATOM 0 HB2 ARG A 88 10.420 -1.865 -13.048 1.00 1.30 H new ATOM 0 HB3 ARG A 88 8.702 -2.119 -13.283 1.00 1.30 H new ATOM 0 HG2 ARG A 88 8.207 -0.021 -12.030 1.00 1.78 H new ATOM 0 HG3 ARG A 88 9.919 0.228 -11.750 1.00 1.78 H new ATOM 0 HD2 ARG A 88 9.248 1.629 -13.616 1.00 1.88 H new ATOM 0 HD3 ARG A 88 10.284 0.358 -14.236 1.00 1.88 H new ATOM 0 HE ARG A 88 7.515 -0.462 -14.381 1.00 2.41 H new ATOM 0 HH11 ARG A 88 9.866 1.693 -15.921 1.00 2.68 H new ATOM 0 HH12 ARG A 88 9.062 1.647 -17.493 1.00 2.68 H new ATOM 0 HH21 ARG A 88 6.482 -0.539 -16.416 1.00 4.17 H new ATOM 0 HH22 ARG A 88 7.139 0.380 -17.774 1.00 4.17 H new ATOM 1434 N LYS A 89 8.849 -4.715 -10.596 1.00 1.37 N ATOM 1435 CA LYS A 89 8.847 -6.174 -10.664 1.00 1.50 C ATOM 1436 C LYS A 89 8.365 -6.687 -12.033 1.00 1.73 C ATOM 1437 O LYS A 89 7.182 -6.978 -12.228 1.00 2.41 O ATOM 1438 CB LYS A 89 8.037 -6.766 -9.494 1.00 1.76 C ATOM 1439 CG LYS A 89 8.811 -6.729 -8.162 1.00 1.24 C ATOM 1440 CD LYS A 89 8.228 -5.764 -7.115 1.00 1.56 C ATOM 1441 CE LYS A 89 9.162 -5.740 -5.892 1.00 2.38 C ATOM 1442 NZ LYS A 89 8.600 -5.067 -4.704 1.00 2.82 N ATOM 0 H LYS A 89 8.252 -4.347 -9.855 1.00 1.37 H new ATOM 0 HA LYS A 89 9.876 -6.520 -10.561 1.00 1.50 H new ATOM 0 HB2 LYS A 89 7.105 -6.212 -9.384 1.00 1.76 H new ATOM 0 HB3 LYS A 89 7.769 -7.797 -9.726 1.00 1.76 H new ATOM 0 HG2 LYS A 89 8.832 -7.734 -7.740 1.00 1.24 H new ATOM 0 HG3 LYS A 89 9.844 -6.446 -8.364 1.00 1.24 H new ATOM 0 HD2 LYS A 89 8.131 -4.763 -7.536 1.00 1.56 H new ATOM 0 HD3 LYS A 89 7.229 -6.084 -6.821 1.00 1.56 H new ATOM 0 HE2 LYS A 89 9.417 -6.766 -5.626 1.00 2.38 H new ATOM 0 HE3 LYS A 89 10.091 -5.242 -6.170 1.00 2.38 H new ATOM 0 HZ1 LYS A 89 9.353 -4.915 -4.003 1.00 2.82 H new ATOM 0 HZ2 LYS A 89 8.196 -4.150 -4.983 1.00 2.82 H new ATOM 0 HZ3 LYS A 89 7.855 -5.661 -4.288 1.00 2.82 H new ATOM 1456 N LYS A 90 9.326 -6.823 -12.956 1.00 1.76 N ATOM 1457 CA LYS A 90 9.238 -7.359 -14.314 1.00 2.14 C ATOM 1458 C LYS A 90 8.144 -8.422 -14.463 1.00 2.20 C ATOM 1459 O LYS A 90 7.275 -8.298 -15.323 1.00 3.11 O ATOM 1460 CB LYS A 90 10.628 -7.895 -14.706 1.00 2.58 C ATOM 1461 CG LYS A 90 10.769 -8.219 -16.201 1.00 3.45 C ATOM 1462 CD LYS A 90 12.208 -8.672 -16.502 1.00 4.24 C ATOM 1463 CE LYS A 90 12.412 -8.935 -18.003 1.00 5.38 C ATOM 1464 NZ LYS A 90 13.796 -9.351 -18.322 1.00 6.37 N ATOM 0 H LYS A 90 10.280 -6.529 -12.745 1.00 1.76 H new ATOM 0 HA LYS A 90 8.944 -6.561 -14.996 1.00 2.14 H new ATOM 0 HB2 LYS A 90 11.382 -7.158 -14.431 1.00 2.58 H new ATOM 0 HB3 LYS A 90 10.836 -8.795 -14.128 1.00 2.58 H new ATOM 0 HG2 LYS A 90 10.065 -9.003 -16.481 1.00 3.45 H new ATOM 0 HG3 LYS A 90 10.522 -7.341 -16.798 1.00 3.45 H new ATOM 0 HD2 LYS A 90 12.909 -7.908 -16.167 1.00 4.24 H new ATOM 0 HD3 LYS A 90 12.431 -9.578 -15.939 1.00 4.24 H new ATOM 0 HE2 LYS A 90 11.719 -9.710 -18.330 1.00 5.38 H new ATOM 0 HE3 LYS A 90 12.169 -8.032 -18.563 1.00 5.38 H new ATOM 0 HZ1 LYS A 90 13.882 -9.516 -19.345 1.00 6.37 H new ATOM 0 HZ2 LYS A 90 14.458 -8.602 -18.035 1.00 6.37 H new ATOM 0 HZ3 LYS A 90 14.022 -10.228 -17.810 1.00 6.37 H new ATOM 1478 N LYS A 91 8.186 -9.460 -13.624 1.00 1.79 N ATOM 1479 CA LYS A 91 7.084 -10.396 -13.454 1.00 2.32 C ATOM 1480 C LYS A 91 6.822 -10.577 -11.959 1.00 2.60 C ATOM 1481 O LYS A 91 5.751 -10.194 -11.473 1.00 3.27 O ATOM 1482 CB LYS A 91 7.433 -11.746 -14.109 1.00 2.76 C ATOM 1483 CG LYS A 91 7.094 -11.779 -15.606 1.00 3.32 C ATOM 1484 CD LYS A 91 7.490 -13.145 -16.197 1.00 3.79 C ATOM 1485 CE LYS A 91 6.735 -13.492 -17.490 1.00 4.58 C ATOM 1486 NZ LYS A 91 6.955 -12.512 -18.573 1.00 5.65 N ATOM 0 H LYS A 91 8.995 -9.672 -13.041 1.00 1.79 H new ATOM 0 HA LYS A 91 6.187 -10.007 -13.936 1.00 2.32 H new ATOM 0 HB2 LYS A 91 8.496 -11.946 -13.976 1.00 2.76 H new ATOM 0 HB3 LYS A 91 6.892 -12.544 -13.600 1.00 2.76 H new ATOM 0 HG2 LYS A 91 6.028 -11.604 -15.751 1.00 3.32 H new ATOM 0 HG3 LYS A 91 7.622 -10.980 -16.126 1.00 3.32 H new ATOM 0 HD2 LYS A 91 8.561 -13.149 -16.398 1.00 3.79 H new ATOM 0 HD3 LYS A 91 7.302 -13.922 -15.456 1.00 3.79 H new ATOM 0 HE2 LYS A 91 7.048 -14.478 -17.832 1.00 4.58 H new ATOM 0 HE3 LYS A 91 5.668 -13.553 -17.275 1.00 4.58 H new ATOM 0 HZ1 LYS A 91 6.420 -12.801 -19.417 1.00 5.65 H new ATOM 0 HZ2 LYS A 91 6.632 -11.573 -18.263 1.00 5.65 H new ATOM 0 HZ3 LYS A 91 7.968 -12.470 -18.803 1.00 5.65 H new ATOM 1500 N ASP A 92 7.834 -11.110 -11.262 1.00 2.41 N ATOM 1501 CA ASP A 92 7.865 -11.540 -9.896 1.00 2.88 C ATOM 1502 C ASP A 92 9.242 -11.120 -9.386 1.00 2.12 C ATOM 1503 O ASP A 92 10.199 -11.005 -10.153 1.00 2.67 O ATOM 1504 CB ASP A 92 7.719 -13.066 -9.808 1.00 3.74 C ATOM 1505 CG ASP A 92 8.141 -13.534 -8.424 1.00 4.96 C ATOM 1506 OD1 ASP A 92 7.676 -12.884 -7.459 1.00 6.54 O ATOM 1507 OD2 ASP A 92 9.029 -14.410 -8.347 1.00 5.23 O ATOM 0 H ASP A 92 8.739 -11.258 -11.708 1.00 2.41 H new ATOM 0 HA ASP A 92 7.052 -11.106 -9.314 1.00 2.88 H new ATOM 0 HB2 ASP A 92 6.686 -13.356 -10.003 1.00 3.74 H new ATOM 0 HB3 ASP A 92 8.334 -13.546 -10.570 1.00 3.74 H new ATOM 1512 N LEU A 93 9.261 -10.832 -8.099 1.00 1.57 N ATOM 1513 CA LEU A 93 10.414 -10.721 -7.226 1.00 1.06 C ATOM 1514 C LEU A 93 10.903 -12.080 -6.691 1.00 1.00 C ATOM 1515 O LEU A 93 12.092 -12.374 -6.805 1.00 1.33 O ATOM 1516 CB LEU A 93 10.139 -9.710 -6.099 1.00 1.77 C ATOM 1517 CG LEU A 93 8.788 -9.918 -5.386 1.00 1.70 C ATOM 1518 CD1 LEU A 93 8.938 -9.609 -3.892 1.00 3.24 C ATOM 1519 CD2 LEU A 93 7.588 -9.172 -5.983 1.00 2.04 C ATOM 0 H LEU A 93 8.393 -10.654 -7.593 1.00 1.57 H new ATOM 0 HA LEU A 93 11.240 -10.341 -7.827 1.00 1.06 H new ATOM 0 HB2 LEU A 93 10.940 -9.775 -5.363 1.00 1.77 H new ATOM 0 HB3 LEU A 93 10.168 -8.702 -6.514 1.00 1.77 H new ATOM 0 HG LEU A 93 8.543 -10.968 -5.543 1.00 1.70 H new ATOM 0 HD11 LEU A 93 7.981 -9.757 -3.392 1.00 3.24 H new ATOM 0 HD12 LEU A 93 9.682 -10.275 -3.456 1.00 3.24 H new ATOM 0 HD13 LEU A 93 9.258 -8.575 -3.765 1.00 3.24 H new ATOM 0 HD21 LEU A 93 6.695 -9.394 -5.400 1.00 2.04 H new ATOM 0 HD22 LEU A 93 7.779 -8.099 -5.960 1.00 2.04 H new ATOM 0 HD23 LEU A 93 7.437 -9.492 -7.014 1.00 2.04 H new ATOM 1531 N LYS A 94 9.997 -12.883 -6.099 1.00 1.05 N ATOM 1532 CA LYS A 94 10.298 -13.991 -5.192 1.00 1.18 C ATOM 1533 C LYS A 94 11.396 -14.898 -5.728 1.00 1.23 C ATOM 1534 O LYS A 94 12.204 -15.419 -4.965 1.00 1.29 O ATOM 1535 CB LYS A 94 9.084 -14.906 -4.933 1.00 1.64 C ATOM 1536 CG LYS A 94 7.758 -14.317 -4.444 1.00 2.04 C ATOM 1537 CD LYS A 94 7.867 -13.562 -3.115 1.00 1.76 C ATOM 1538 CE LYS A 94 6.637 -13.771 -2.213 1.00 2.13 C ATOM 1539 NZ LYS A 94 5.345 -13.752 -2.935 1.00 2.62 N ATOM 0 H LYS A 94 8.995 -12.766 -6.251 1.00 1.05 H new ATOM 0 HA LYS A 94 10.609 -13.496 -4.272 1.00 1.18 H new ATOM 0 HB2 LYS A 94 8.877 -15.437 -5.862 1.00 1.64 H new ATOM 0 HB3 LYS A 94 9.394 -15.652 -4.202 1.00 1.64 H new ATOM 0 HG2 LYS A 94 7.370 -13.640 -5.205 1.00 2.04 H new ATOM 0 HG3 LYS A 94 7.032 -15.123 -4.335 1.00 2.04 H new ATOM 0 HD2 LYS A 94 8.761 -13.892 -2.586 1.00 1.76 H new ATOM 0 HD3 LYS A 94 7.990 -12.498 -3.315 1.00 1.76 H new ATOM 0 HE2 LYS A 94 6.738 -14.725 -1.696 1.00 2.13 H new ATOM 0 HE3 LYS A 94 6.625 -12.994 -1.449 1.00 2.13 H new ATOM 0 HZ1 LYS A 94 4.567 -13.660 -2.251 1.00 2.62 H new ATOM 0 HZ2 LYS A 94 5.326 -12.946 -3.592 1.00 2.62 H new ATOM 0 HZ3 LYS A 94 5.233 -14.637 -3.470 1.00 2.62 H new ATOM 1553 N ILE A 95 11.397 -15.131 -7.040 1.00 1.34 N ATOM 1554 CA ILE A 95 12.400 -15.950 -7.707 1.00 1.53 C ATOM 1555 C ILE A 95 13.850 -15.573 -7.331 1.00 1.60 C ATOM 1556 O ILE A 95 14.739 -16.402 -7.513 1.00 1.82 O ATOM 1557 CB ILE A 95 12.107 -15.939 -9.225 1.00 1.58 C ATOM 1558 CG1 ILE A 95 10.895 -16.849 -9.497 1.00 2.37 C ATOM 1559 CG2 ILE A 95 13.299 -16.405 -10.075 1.00 2.42 C ATOM 1560 CD1 ILE A 95 10.242 -16.580 -10.857 1.00 2.63 C ATOM 0 H ILE A 95 10.693 -14.751 -7.673 1.00 1.34 H new ATOM 0 HA ILE A 95 12.323 -16.978 -7.353 1.00 1.53 H new ATOM 0 HB ILE A 95 11.903 -14.908 -9.513 1.00 1.58 H new ATOM 0 HG12 ILE A 95 11.212 -17.891 -9.451 1.00 2.37 H new ATOM 0 HG13 ILE A 95 10.155 -16.706 -8.709 1.00 2.37 H new ATOM 0 HG21 ILE A 95 13.028 -16.374 -11.130 1.00 2.42 H new ATOM 0 HG22 ILE A 95 14.150 -15.747 -9.900 1.00 2.42 H new ATOM 0 HG23 ILE A 95 13.566 -17.425 -9.799 1.00 2.42 H new ATOM 0 HD11 ILE A 95 9.394 -17.251 -10.993 1.00 2.63 H new ATOM 0 HD12 ILE A 95 9.897 -15.547 -10.897 1.00 2.63 H new ATOM 0 HD13 ILE A 95 10.970 -16.751 -11.650 1.00 2.63 H new ATOM 1572 N ARG A 96 14.107 -14.364 -6.811 1.00 1.49 N ATOM 1573 CA ARG A 96 15.375 -13.943 -6.211 1.00 1.63 C ATOM 1574 C ARG A 96 16.587 -14.189 -7.113 1.00 2.09 C ATOM 1575 O ARG A 96 17.690 -14.421 -6.624 1.00 3.10 O ATOM 1576 CB ARG A 96 15.590 -14.526 -4.809 1.00 1.82 C ATOM 1577 CG ARG A 96 15.653 -16.053 -4.740 1.00 3.44 C ATOM 1578 CD ARG A 96 16.240 -16.561 -3.420 1.00 4.43 C ATOM 1579 NE ARG A 96 16.799 -17.902 -3.632 1.00 6.09 N ATOM 1580 CZ ARG A 96 17.693 -18.521 -2.858 1.00 7.32 C ATOM 1581 NH1 ARG A 96 17.882 -18.124 -1.595 1.00 7.52 N ATOM 1582 NH2 ARG A 96 18.386 -19.535 -3.377 1.00 8.85 N ATOM 0 H ARG A 96 13.405 -13.624 -6.798 1.00 1.49 H new ATOM 0 HA ARG A 96 15.289 -12.862 -6.100 1.00 1.63 H new ATOM 0 HB2 ARG A 96 16.517 -14.122 -4.403 1.00 1.82 H new ATOM 0 HB3 ARG A 96 14.783 -14.182 -4.162 1.00 1.82 H new ATOM 0 HG2 ARG A 96 14.650 -16.460 -4.867 1.00 3.44 H new ATOM 0 HG3 ARG A 96 16.256 -16.426 -5.568 1.00 3.44 H new ATOM 0 HD2 ARG A 96 17.015 -15.881 -3.066 1.00 4.43 H new ATOM 0 HD3 ARG A 96 15.468 -16.592 -2.651 1.00 4.43 H new ATOM 0 HE ARG A 96 16.471 -18.411 -4.453 1.00 6.09 H new ATOM 0 HH11 ARG A 96 17.342 -17.345 -1.219 1.00 7.52 H new ATOM 0 HH12 ARG A 96 18.566 -18.600 -1.008 1.00 7.52 H new ATOM 0 HH21 ARG A 96 18.227 -19.820 -4.343 1.00 8.85 H new ATOM 0 HH22 ARG A 96 19.076 -20.026 -2.808 1.00 8.85 H new ATOM 1681 N GLU B 4 11.821 -15.615 -0.200 1.00 2.10 N ATOM 1682 CA GLU B 4 12.976 -15.001 -0.840 1.00 1.77 C ATOM 1683 C GLU B 4 13.564 -14.113 0.268 1.00 1.56 C ATOM 1684 O GLU B 4 12.927 -14.002 1.321 1.00 2.11 O ATOM 1685 CB GLU B 4 12.572 -14.283 -2.144 1.00 1.94 C ATOM 1686 CG GLU B 4 12.343 -12.757 -2.137 1.00 1.98 C ATOM 1687 CD GLU B 4 13.065 -11.979 -3.229 1.00 2.46 C ATOM 1688 OE1 GLU B 4 14.313 -11.977 -3.214 1.00 2.96 O ATOM 1689 OE2 GLU B 4 12.349 -11.353 -4.035 1.00 3.28 O ATOM 0 HA GLU B 4 13.733 -15.701 -1.195 1.00 1.77 H new ATOM 0 HB2 GLU B 4 13.344 -14.493 -2.884 1.00 1.94 H new ATOM 0 HB3 GLU B 4 11.653 -14.749 -2.501 1.00 1.94 H new ATOM 0 HG2 GLU B 4 11.273 -12.568 -2.227 1.00 1.98 H new ATOM 0 HG3 GLU B 4 12.656 -12.365 -1.169 1.00 1.98 H new ATOM 1696 N PRO B 5 14.710 -13.446 0.089 1.00 1.51 N ATOM 1697 CA PRO B 5 15.109 -12.368 0.981 1.00 1.79 C ATOM 1698 C PRO B 5 14.179 -11.146 0.827 1.00 1.85 C ATOM 1699 O PRO B 5 14.620 -10.079 0.408 1.00 2.63 O ATOM 1700 CB PRO B 5 16.571 -12.084 0.609 1.00 2.54 C ATOM 1701 CG PRO B 5 16.624 -12.442 -0.877 1.00 2.62 C ATOM 1702 CD PRO B 5 15.698 -13.656 -0.954 1.00 1.94 C ATOM 0 HA PRO B 5 15.026 -12.629 2.036 1.00 1.79 H new ATOM 0 HB2 PRO B 5 16.836 -11.041 0.783 1.00 2.54 H new ATOM 0 HB3 PRO B 5 17.262 -12.690 1.195 1.00 2.54 H new ATOM 0 HG2 PRO B 5 16.274 -11.623 -1.505 1.00 2.62 H new ATOM 0 HG3 PRO B 5 17.637 -12.682 -1.201 1.00 2.62 H new ATOM 0 HD2 PRO B 5 15.227 -13.731 -1.934 1.00 1.94 H new ATOM 0 HD3 PRO B 5 16.249 -14.583 -0.794 1.00 1.94 H new ATOM 1710 N LEU B 6 12.898 -11.283 1.198 1.00 1.38 N ATOM 1711 CA LEU B 6 11.975 -10.171 1.409 1.00 1.37 C ATOM 1712 C LEU B 6 11.499 -10.160 2.864 1.00 1.19 C ATOM 1713 O LEU B 6 11.774 -11.099 3.611 1.00 1.44 O ATOM 1714 CB LEU B 6 10.817 -10.191 0.393 1.00 1.48 C ATOM 1715 CG LEU B 6 9.671 -11.190 0.669 1.00 1.40 C ATOM 1716 CD1 LEU B 6 8.318 -10.570 0.330 1.00 2.24 C ATOM 1717 CD2 LEU B 6 9.776 -12.427 -0.215 1.00 2.21 C ATOM 0 H LEU B 6 12.470 -12.194 1.362 1.00 1.38 H new ATOM 0 HA LEU B 6 12.501 -9.233 1.230 1.00 1.37 H new ATOM 0 HB2 LEU B 6 10.391 -9.189 0.343 1.00 1.48 H new ATOM 0 HB3 LEU B 6 11.231 -10.411 -0.591 1.00 1.48 H new ATOM 0 HG LEU B 6 9.753 -11.449 1.725 1.00 1.40 H new ATOM 0 HD11 LEU B 6 7.526 -11.291 0.532 1.00 2.24 H new ATOM 0 HD12 LEU B 6 8.162 -9.680 0.940 1.00 2.24 H new ATOM 0 HD13 LEU B 6 8.298 -10.295 -0.725 1.00 2.24 H new ATOM 0 HD21 LEU B 6 8.953 -13.105 0.009 1.00 2.21 H new ATOM 0 HD22 LEU B 6 9.727 -12.131 -1.263 1.00 2.21 H new ATOM 0 HD23 LEU B 6 10.723 -12.931 -0.024 1.00 2.21 H new ATOM 1729 N THR B 7 10.780 -9.103 3.255 1.00 1.06 N ATOM 1730 CA THR B 7 10.296 -8.886 4.615 1.00 0.99 C ATOM 1731 C THR B 7 8.844 -8.398 4.549 1.00 0.93 C ATOM 1732 O THR B 7 8.405 -7.954 3.492 1.00 1.04 O ATOM 1733 CB THR B 7 11.199 -7.845 5.298 1.00 1.11 C ATOM 1734 OG1 THR B 7 12.559 -8.051 4.965 1.00 1.75 O ATOM 1735 CG2 THR B 7 11.078 -7.874 6.825 1.00 1.11 C ATOM 0 H THR B 7 10.513 -8.356 2.614 1.00 1.06 H new ATOM 0 HA THR B 7 10.327 -9.809 5.194 1.00 0.99 H new ATOM 0 HB THR B 7 10.859 -6.876 4.932 1.00 1.11 H new ATOM 0 HG1 THR B 7 12.801 -7.478 4.208 1.00 1.75 H new ATOM 0 HG21 THR B 7 11.736 -7.120 7.257 1.00 1.11 H new ATOM 0 HG22 THR B 7 10.048 -7.664 7.112 1.00 1.11 H new ATOM 0 HG23 THR B 7 11.364 -8.859 7.194 1.00 1.11 H new ATOM 1743 N GLU B 8 8.129 -8.422 5.678 1.00 0.96 N ATOM 1744 CA GLU B 8 6.705 -8.133 5.876 1.00 1.04 C ATOM 1745 C GLU B 8 6.163 -6.971 5.030 1.00 0.95 C ATOM 1746 O GLU B 8 5.039 -7.017 4.529 1.00 1.08 O ATOM 1747 CB GLU B 8 6.439 -7.827 7.363 1.00 1.33 C ATOM 1748 CG GLU B 8 6.691 -8.980 8.351 1.00 1.84 C ATOM 1749 CD GLU B 8 8.165 -9.293 8.550 1.00 2.63 C ATOM 1750 OE1 GLU B 8 8.671 -10.070 7.705 1.00 3.41 O ATOM 1751 OE2 GLU B 8 8.774 -8.710 9.468 1.00 3.58 O ATOM 0 H GLU B 8 8.576 -8.668 6.561 1.00 0.96 H new ATOM 0 HA GLU B 8 6.178 -9.029 5.546 1.00 1.04 H new ATOM 0 HB2 GLU B 8 7.063 -6.983 7.656 1.00 1.33 H new ATOM 0 HB3 GLU B 8 5.402 -7.508 7.467 1.00 1.33 H new ATOM 0 HG2 GLU B 8 6.248 -8.727 9.314 1.00 1.84 H new ATOM 0 HG3 GLU B 8 6.183 -9.875 7.991 1.00 1.84 H new ATOM 1758 N LEU B 9 6.941 -5.900 4.876 1.00 0.91 N ATOM 1759 CA LEU B 9 6.511 -4.783 4.050 1.00 1.02 C ATOM 1760 C LEU B 9 6.388 -5.242 2.590 1.00 1.13 C ATOM 1761 O LEU B 9 5.337 -5.066 1.971 1.00 1.34 O ATOM 1762 CB LEU B 9 7.450 -3.583 4.241 1.00 1.14 C ATOM 1763 CG LEU B 9 7.265 -2.837 5.581 1.00 1.26 C ATOM 1764 CD1 LEU B 9 5.880 -2.185 5.692 1.00 2.41 C ATOM 1765 CD2 LEU B 9 7.514 -3.692 6.831 1.00 1.71 C ATOM 0 H LEU B 9 7.858 -5.786 5.307 1.00 0.91 H new ATOM 0 HA LEU B 9 5.523 -4.442 4.359 1.00 1.02 H new ATOM 0 HB2 LEU B 9 8.481 -3.929 4.171 1.00 1.14 H new ATOM 0 HB3 LEU B 9 7.293 -2.880 3.423 1.00 1.14 H new ATOM 0 HG LEU B 9 8.039 -2.070 5.557 1.00 1.26 H new ATOM 0 HD11 LEU B 9 5.795 -1.672 6.650 1.00 2.41 H new ATOM 0 HD12 LEU B 9 5.750 -1.466 4.883 1.00 2.41 H new ATOM 0 HD13 LEU B 9 5.110 -2.953 5.622 1.00 2.41 H new ATOM 0 HD21 LEU B 9 7.361 -3.085 7.723 1.00 1.71 H new ATOM 0 HD22 LEU B 9 6.821 -4.533 6.841 1.00 1.71 H new ATOM 0 HD23 LEU B 9 8.538 -4.066 6.818 1.00 1.71 H new ATOM 1777 N GLU B 10 7.419 -5.907 2.059 1.00 1.10 N ATOM 1778 CA GLU B 10 7.300 -6.613 0.788 1.00 1.31 C ATOM 1779 C GLU B 10 6.220 -7.689 0.858 1.00 1.37 C ATOM 1780 O GLU B 10 5.472 -7.830 -0.101 1.00 1.65 O ATOM 1781 CB GLU B 10 8.643 -7.157 0.301 1.00 1.35 C ATOM 1782 CG GLU B 10 9.411 -6.124 -0.519 1.00 1.30 C ATOM 1783 CD GLU B 10 9.098 -6.107 -2.012 1.00 1.93 C ATOM 1784 OE1 GLU B 10 7.915 -6.106 -2.420 1.00 3.20 O ATOM 1785 OE2 GLU B 10 10.057 -5.981 -2.805 1.00 2.41 O ATOM 0 H GLU B 10 8.341 -5.969 2.491 1.00 1.10 H new ATOM 0 HA GLU B 10 6.983 -5.889 0.037 1.00 1.31 H new ATOM 0 HB2 GLU B 10 9.244 -7.460 1.158 1.00 1.35 H new ATOM 0 HB3 GLU B 10 8.476 -8.049 -0.303 1.00 1.35 H new ATOM 0 HG2 GLU B 10 9.204 -5.135 -0.111 1.00 1.30 H new ATOM 0 HG3 GLU B 10 10.478 -6.305 -0.391 1.00 1.30 H new ATOM 1792 N GLU B 11 6.076 -8.361 2.008 1.00 1.31 N ATOM 1793 CA GLU B 11 4.943 -9.220 2.356 1.00 1.76 C ATOM 1794 C GLU B 11 3.636 -8.613 1.823 1.00 1.55 C ATOM 1795 O GLU B 11 2.815 -9.287 1.202 1.00 1.85 O ATOM 1796 CB GLU B 11 5.204 -10.684 1.963 1.00 1.22 C ATOM 1797 CG GLU B 11 4.392 -11.713 2.774 1.00 1.94 C ATOM 1798 CD GLU B 11 5.052 -12.084 4.099 1.00 2.67 C ATOM 1799 OE1 GLU B 11 5.255 -11.179 4.936 1.00 3.61 O ATOM 1800 OE2 GLU B 11 5.412 -13.266 4.280 1.00 3.35 O ATOM 0 H GLU B 11 6.775 -8.317 2.749 1.00 1.31 H new ATOM 0 HA GLU B 11 4.823 -9.259 3.439 1.00 1.76 H new ATOM 0 HB2 GLU B 11 4.975 -10.810 0.905 1.00 1.22 H new ATOM 0 HB3 GLU B 11 6.266 -10.897 2.087 1.00 1.22 H new ATOM 0 HG2 GLU B 11 3.398 -11.310 2.970 1.00 1.94 H new ATOM 0 HG3 GLU B 11 4.258 -12.615 2.176 1.00 1.94 H new ATOM 1807 N SER B 12 3.469 -7.300 2.025 1.00 1.15 N ATOM 1808 CA SER B 12 2.320 -6.577 1.514 1.00 1.02 C ATOM 1809 C SER B 12 2.509 -6.215 0.037 1.00 0.93 C ATOM 1810 O SER B 12 1.672 -6.545 -0.803 1.00 1.07 O ATOM 1811 CB SER B 12 2.082 -5.339 2.378 1.00 1.07 C ATOM 1812 OG SER B 12 2.022 -5.702 3.747 1.00 1.75 O ATOM 0 H SER B 12 4.128 -6.721 2.545 1.00 1.15 H new ATOM 0 HA SER B 12 1.437 -7.214 1.568 1.00 1.02 H new ATOM 0 HB2 SER B 12 2.883 -4.617 2.220 1.00 1.07 H new ATOM 0 HB3 SER B 12 1.152 -4.853 2.082 1.00 1.07 H new ATOM 0 HG SER B 12 2.346 -4.958 4.297 1.00 1.75 H new ATOM 1818 N ILE B 13 3.590 -5.494 -0.281 1.00 0.88 N ATOM 1819 CA ILE B 13 3.789 -4.883 -1.595 1.00 0.85 C ATOM 1820 C ILE B 13 3.665 -5.926 -2.707 1.00 0.80 C ATOM 1821 O ILE B 13 2.969 -5.711 -3.700 1.00 0.74 O ATOM 1822 CB ILE B 13 5.162 -4.180 -1.652 1.00 0.87 C ATOM 1823 CG1 ILE B 13 5.243 -3.027 -0.640 1.00 1.00 C ATOM 1824 CG2 ILE B 13 5.598 -3.657 -3.032 1.00 0.85 C ATOM 1825 CD1 ILE B 13 6.678 -2.784 -0.194 1.00 0.90 C ATOM 0 H ILE B 13 4.354 -5.318 0.371 1.00 0.88 H new ATOM 0 HA ILE B 13 3.010 -4.137 -1.751 1.00 0.85 H new ATOM 0 HB ILE B 13 5.859 -4.979 -1.399 1.00 0.87 H new ATOM 0 HG12 ILE B 13 4.840 -2.118 -1.087 1.00 1.00 H new ATOM 0 HG13 ILE B 13 4.624 -3.257 0.227 1.00 1.00 H new ATOM 0 HG21 ILE B 13 6.576 -3.183 -2.949 1.00 0.85 H new ATOM 0 HG22 ILE B 13 5.656 -4.488 -3.735 1.00 0.85 H new ATOM 0 HG23 ILE B 13 4.871 -2.928 -3.391 1.00 0.85 H new ATOM 0 HD11 ILE B 13 6.702 -1.962 0.522 1.00 0.90 H new ATOM 0 HD12 ILE B 13 7.071 -3.686 0.275 1.00 0.90 H new ATOM 0 HD13 ILE B 13 7.290 -2.530 -1.059 1.00 0.90 H new ATOM 1837 N GLU B 14 4.350 -7.054 -2.539 1.00 0.86 N ATOM 1838 CA GLU B 14 4.390 -8.145 -3.493 1.00 0.91 C ATOM 1839 C GLU B 14 2.973 -8.660 -3.779 1.00 0.85 C ATOM 1840 O GLU B 14 2.587 -8.896 -4.927 1.00 0.90 O ATOM 1841 CB GLU B 14 5.358 -9.200 -2.947 1.00 1.24 C ATOM 1842 CG GLU B 14 4.796 -10.112 -1.849 1.00 1.85 C ATOM 1843 CD GLU B 14 4.092 -11.336 -2.393 1.00 2.70 C ATOM 1844 OE1 GLU B 14 4.161 -11.568 -3.621 1.00 2.93 O ATOM 1845 OE2 GLU B 14 3.742 -12.214 -1.578 1.00 4.05 O ATOM 0 H GLU B 14 4.909 -7.234 -1.705 1.00 0.86 H new ATOM 0 HA GLU B 14 4.765 -7.826 -4.465 1.00 0.91 H new ATOM 0 HB2 GLU B 14 5.692 -9.824 -3.776 1.00 1.24 H new ATOM 0 HB3 GLU B 14 6.239 -8.691 -2.556 1.00 1.24 H new ATOM 0 HG2 GLU B 14 5.610 -10.429 -1.197 1.00 1.85 H new ATOM 0 HG3 GLU B 14 4.099 -9.543 -1.235 1.00 1.85 H new ATOM 1852 N THR B 15 2.177 -8.757 -2.713 1.00 0.82 N ATOM 1853 CA THR B 15 0.789 -9.173 -2.757 1.00 0.84 C ATOM 1854 C THR B 15 -0.044 -8.110 -3.479 1.00 0.80 C ATOM 1855 O THR B 15 -0.874 -8.459 -4.316 1.00 0.85 O ATOM 1856 CB THR B 15 0.292 -9.526 -1.345 1.00 0.97 C ATOM 1857 OG1 THR B 15 0.902 -10.736 -0.942 1.00 1.18 O ATOM 1858 CG2 THR B 15 -1.224 -9.745 -1.302 1.00 0.99 C ATOM 0 H THR B 15 2.498 -8.540 -1.770 1.00 0.82 H new ATOM 0 HA THR B 15 0.679 -10.089 -3.338 1.00 0.84 H new ATOM 0 HB THR B 15 0.546 -8.693 -0.690 1.00 0.97 H new ATOM 0 HG1 THR B 15 1.570 -10.551 -0.249 1.00 1.18 H new ATOM 0 HG21 THR B 15 -1.527 -9.992 -0.285 1.00 0.99 H new ATOM 0 HG22 THR B 15 -1.732 -8.835 -1.622 1.00 0.99 H new ATOM 0 HG23 THR B 15 -1.492 -10.564 -1.969 1.00 0.99 H new ATOM 1866 N VAL B 16 0.181 -6.816 -3.226 1.00 0.76 N ATOM 1867 CA VAL B 16 -0.488 -5.765 -3.976 1.00 0.73 C ATOM 1868 C VAL B 16 -0.210 -5.927 -5.478 1.00 0.72 C ATOM 1869 O VAL B 16 -1.141 -6.046 -6.278 1.00 0.73 O ATOM 1870 CB VAL B 16 -0.061 -4.382 -3.457 1.00 0.73 C ATOM 1871 CG1 VAL B 16 -0.607 -3.291 -4.373 1.00 0.75 C ATOM 1872 CG2 VAL B 16 -0.561 -4.118 -2.033 1.00 0.93 C ATOM 0 H VAL B 16 0.822 -6.479 -2.507 1.00 0.76 H new ATOM 0 HA VAL B 16 -1.565 -5.848 -3.830 1.00 0.73 H new ATOM 0 HB VAL B 16 1.029 -4.368 -3.447 1.00 0.73 H new ATOM 0 HG11 VAL B 16 -0.300 -2.314 -3.999 1.00 0.75 H new ATOM 0 HG12 VAL B 16 -0.216 -3.433 -5.381 1.00 0.75 H new ATOM 0 HG13 VAL B 16 -1.695 -3.346 -4.395 1.00 0.75 H new ATOM 0 HG21 VAL B 16 -0.235 -3.129 -1.710 1.00 0.93 H new ATOM 0 HG22 VAL B 16 -1.650 -4.164 -2.015 1.00 0.93 H new ATOM 0 HG23 VAL B 16 -0.155 -4.872 -1.359 1.00 0.93 H new ATOM 1882 N VAL B 17 1.066 -5.923 -5.878 1.00 0.74 N ATOM 1883 CA VAL B 17 1.403 -5.960 -7.300 1.00 0.79 C ATOM 1884 C VAL B 17 0.944 -7.265 -7.961 1.00 0.78 C ATOM 1885 O VAL B 17 0.510 -7.257 -9.114 1.00 0.81 O ATOM 1886 CB VAL B 17 2.878 -5.621 -7.568 1.00 0.74 C ATOM 1887 CG1 VAL B 17 3.215 -4.214 -7.057 1.00 1.05 C ATOM 1888 CG2 VAL B 17 3.837 -6.632 -6.943 1.00 0.74 C ATOM 0 H VAL B 17 1.868 -5.895 -5.248 1.00 0.74 H new ATOM 0 HA VAL B 17 0.837 -5.163 -7.783 1.00 0.79 H new ATOM 0 HB VAL B 17 3.010 -5.662 -8.649 1.00 0.74 H new ATOM 0 HG11 VAL B 17 4.264 -3.996 -7.257 1.00 1.05 H new ATOM 0 HG12 VAL B 17 2.588 -3.482 -7.566 1.00 1.05 H new ATOM 0 HG13 VAL B 17 3.033 -4.163 -5.984 1.00 1.05 H new ATOM 0 HG21 VAL B 17 4.865 -6.343 -7.164 1.00 0.74 H new ATOM 0 HG22 VAL B 17 3.690 -6.653 -5.863 1.00 0.74 H new ATOM 0 HG23 VAL B 17 3.642 -7.622 -7.355 1.00 0.74 H new ATOM 1898 N THR B 18 0.994 -8.378 -7.226 1.00 0.81 N ATOM 1899 CA THR B 18 0.333 -9.619 -7.607 1.00 0.90 C ATOM 1900 C THR B 18 -1.148 -9.365 -7.885 1.00 0.82 C ATOM 1901 O THR B 18 -1.675 -9.742 -8.932 1.00 0.85 O ATOM 1902 CB THR B 18 0.503 -10.631 -6.466 1.00 1.17 C ATOM 1903 OG1 THR B 18 1.831 -11.104 -6.451 1.00 1.96 O ATOM 1904 CG2 THR B 18 -0.506 -11.779 -6.518 1.00 1.20 C ATOM 0 H THR B 18 1.500 -8.439 -6.343 1.00 0.81 H new ATOM 0 HA THR B 18 0.781 -10.016 -8.518 1.00 0.90 H new ATOM 0 HB THR B 18 0.294 -10.111 -5.531 1.00 1.17 H new ATOM 0 HG1 THR B 18 2.388 -10.499 -5.917 1.00 1.96 H new ATOM 0 HG21 THR B 18 -0.329 -12.457 -5.683 1.00 1.20 H new ATOM 0 HG22 THR B 18 -1.517 -11.378 -6.452 1.00 1.20 H new ATOM 0 HG23 THR B 18 -0.392 -12.322 -7.456 1.00 1.20 H new ATOM 1912 N THR B 19 -1.834 -8.753 -6.925 1.00 0.78 N ATOM 1913 CA THR B 19 -3.278 -8.636 -6.935 1.00 0.81 C ATOM 1914 C THR B 19 -3.775 -7.775 -8.102 1.00 0.82 C ATOM 1915 O THR B 19 -4.877 -8.007 -8.586 1.00 0.96 O ATOM 1916 CB THR B 19 -3.743 -8.193 -5.546 1.00 0.92 C ATOM 1917 OG1 THR B 19 -3.460 -9.224 -4.624 1.00 1.06 O ATOM 1918 CG2 THR B 19 -5.239 -7.887 -5.462 1.00 1.04 C ATOM 0 H THR B 19 -1.393 -8.322 -6.112 1.00 0.78 H new ATOM 0 HA THR B 19 -3.741 -9.604 -7.128 1.00 0.81 H new ATOM 0 HB THR B 19 -3.209 -7.270 -5.321 1.00 0.92 H new ATOM 0 HG1 THR B 19 -2.523 -9.163 -4.342 1.00 1.06 H new ATOM 0 HG21 THR B 19 -5.491 -7.580 -4.447 1.00 1.04 H new ATOM 0 HG22 THR B 19 -5.486 -7.083 -6.156 1.00 1.04 H new ATOM 0 HG23 THR B 19 -5.808 -8.779 -5.723 1.00 1.04 H new ATOM 1926 N PHE B 20 -2.969 -6.847 -8.637 1.00 0.75 N ATOM 1927 CA PHE B 20 -3.296 -6.244 -9.934 1.00 0.78 C ATOM 1928 C PHE B 20 -3.524 -7.297 -11.020 1.00 0.90 C ATOM 1929 O PHE B 20 -4.418 -7.145 -11.850 1.00 1.08 O ATOM 1930 CB PHE B 20 -2.196 -5.293 -10.414 1.00 0.76 C ATOM 1931 CG PHE B 20 -2.250 -3.915 -9.802 1.00 0.65 C ATOM 1932 CD1 PHE B 20 -3.390 -3.114 -10.005 1.00 2.16 C ATOM 1933 CD2 PHE B 20 -1.104 -3.365 -9.202 1.00 2.18 C ATOM 1934 CE1 PHE B 20 -3.399 -1.785 -9.563 1.00 2.27 C ATOM 1935 CE2 PHE B 20 -1.118 -2.041 -8.742 1.00 2.16 C ATOM 1936 CZ PHE B 20 -2.256 -1.248 -8.954 1.00 0.93 C ATOM 0 H PHE B 20 -2.110 -6.506 -8.206 1.00 0.75 H new ATOM 0 HA PHE B 20 -4.219 -5.687 -9.772 1.00 0.78 H new ATOM 0 HB2 PHE B 20 -1.226 -5.738 -10.192 1.00 0.76 H new ATOM 0 HB3 PHE B 20 -2.262 -5.198 -11.498 1.00 0.76 H new ATOM 0 HD1 PHE B 20 -4.257 -3.524 -10.501 1.00 2.16 H new ATOM 0 HD2 PHE B 20 -0.211 -3.963 -9.095 1.00 2.18 H new ATOM 0 HE1 PHE B 20 -4.282 -1.177 -9.691 1.00 2.27 H new ATOM 0 HE2 PHE B 20 -0.259 -1.634 -8.228 1.00 2.16 H new ATOM 0 HZ PHE B 20 -2.251 -0.213 -8.645 1.00 0.93 H new ATOM 1946 N PHE B 21 -2.692 -8.341 -11.040 1.00 0.90 N ATOM 1947 CA PHE B 21 -2.870 -9.466 -11.946 1.00 1.09 C ATOM 1948 C PHE B 21 -4.194 -10.139 -11.580 1.00 1.22 C ATOM 1949 O PHE B 21 -5.095 -10.266 -12.411 1.00 1.49 O ATOM 1950 CB PHE B 21 -1.672 -10.429 -11.826 1.00 1.20 C ATOM 1951 CG PHE B 21 -1.247 -11.159 -13.088 1.00 1.64 C ATOM 1952 CD1 PHE B 21 -2.194 -11.583 -14.041 1.00 2.53 C ATOM 1953 CD2 PHE B 21 0.111 -11.491 -13.266 1.00 2.58 C ATOM 1954 CE1 PHE B 21 -1.779 -12.302 -15.176 1.00 3.29 C ATOM 1955 CE2 PHE B 21 0.525 -12.202 -14.406 1.00 3.18 C ATOM 1956 CZ PHE B 21 -0.419 -12.601 -15.366 1.00 3.26 C ATOM 0 H PHE B 21 -1.880 -8.425 -10.429 1.00 0.90 H new ATOM 0 HA PHE B 21 -2.907 -9.143 -12.986 1.00 1.09 H new ATOM 0 HB2 PHE B 21 -0.817 -9.862 -11.458 1.00 1.20 H new ATOM 0 HB3 PHE B 21 -1.911 -11.174 -11.067 1.00 1.20 H new ATOM 0 HD1 PHE B 21 -3.240 -11.355 -13.900 1.00 2.53 H new ATOM 0 HD2 PHE B 21 0.838 -11.198 -12.523 1.00 2.58 H new ATOM 0 HE1 PHE B 21 -2.508 -12.626 -15.904 1.00 3.29 H new ATOM 0 HE2 PHE B 21 1.569 -12.441 -14.543 1.00 3.18 H new ATOM 0 HZ PHE B 21 -0.101 -13.136 -16.248 1.00 3.26 H new ATOM 1966 N THR B 22 -4.343 -10.507 -10.307 1.00 1.28 N ATOM 1967 CA THR B 22 -5.525 -11.198 -9.811 1.00 1.60 C ATOM 1968 C THR B 22 -6.630 -10.176 -9.508 1.00 1.63 C ATOM 1969 O THR B 22 -7.113 -10.088 -8.383 1.00 1.93 O ATOM 1970 CB THR B 22 -5.124 -12.006 -8.564 1.00 2.03 C ATOM 1971 OG1 THR B 22 -3.842 -12.576 -8.760 1.00 2.72 O ATOM 1972 CG2 THR B 22 -6.125 -13.126 -8.263 1.00 2.36 C ATOM 0 H THR B 22 -3.640 -10.331 -9.589 1.00 1.28 H new ATOM 0 HA THR B 22 -5.920 -11.887 -10.558 1.00 1.60 H new ATOM 0 HB THR B 22 -5.114 -11.320 -7.717 1.00 2.03 H new ATOM 0 HG1 THR B 22 -3.587 -13.089 -7.965 1.00 2.72 H new ATOM 0 HG21 THR B 22 -5.805 -13.672 -7.375 1.00 2.36 H new ATOM 0 HG22 THR B 22 -7.111 -12.695 -8.088 1.00 2.36 H new ATOM 0 HG23 THR B 22 -6.173 -13.809 -9.111 1.00 2.36 H new ATOM 2097 N LYS B 30 -2.081 -5.014 -16.579 1.00 2.12 N ATOM 2098 CA LYS B 30 -2.010 -3.650 -17.091 1.00 1.89 C ATOM 2099 C LYS B 30 -1.100 -2.832 -16.173 1.00 1.66 C ATOM 2100 O LYS B 30 0.120 -2.836 -16.326 1.00 2.25 O ATOM 2101 CB LYS B 30 -3.404 -2.992 -17.199 1.00 2.43 C ATOM 2102 CG LYS B 30 -4.222 -3.356 -18.444 1.00 3.12 C ATOM 2103 CD LYS B 30 -5.452 -2.434 -18.592 1.00 3.54 C ATOM 2104 CE LYS B 30 -5.086 -0.979 -18.961 1.00 3.16 C ATOM 2105 NZ LYS B 30 -6.265 -0.116 -19.179 1.00 4.09 N ATOM 0 HA LYS B 30 -1.602 -3.679 -18.101 1.00 1.89 H new ATOM 0 HB2 LYS B 30 -3.982 -3.264 -16.316 1.00 2.43 H new ATOM 0 HB3 LYS B 30 -3.276 -1.910 -17.176 1.00 2.43 H new ATOM 0 HG2 LYS B 30 -3.594 -3.275 -19.331 1.00 3.12 H new ATOM 0 HG3 LYS B 30 -4.548 -4.394 -18.378 1.00 3.12 H new ATOM 0 HD2 LYS B 30 -6.112 -2.841 -19.359 1.00 3.54 H new ATOM 0 HD3 LYS B 30 -6.012 -2.434 -17.657 1.00 3.54 H new ATOM 0 HE2 LYS B 30 -4.475 -0.553 -18.165 1.00 3.16 H new ATOM 0 HE3 LYS B 30 -4.476 -0.983 -19.864 1.00 3.16 H new ATOM 0 HZ1 LYS B 30 -5.957 0.804 -19.553 1.00 4.09 H new ATOM 0 HZ2 LYS B 30 -6.906 -0.570 -19.860 1.00 4.09 H new ATOM 0 HZ3 LYS B 30 -6.763 0.026 -18.277 1.00 4.09 H new ATOM 2119 N ASP B 31 -1.710 -2.109 -15.230 1.00 1.37 N ATOM 2120 CA ASP B 31 -1.043 -1.130 -14.394 1.00 1.13 C ATOM 2121 C ASP B 31 -1.998 -0.764 -13.258 1.00 1.32 C ATOM 2122 O ASP B 31 -1.743 -1.076 -12.099 1.00 1.98 O ATOM 2123 CB ASP B 31 -0.649 0.088 -15.253 1.00 1.17 C ATOM 2124 CG ASP B 31 0.196 1.104 -14.505 1.00 2.07 C ATOM 2125 OD1 ASP B 31 0.186 1.065 -13.257 1.00 3.38 O ATOM 2126 OD2 ASP B 31 0.836 1.921 -15.201 1.00 2.72 O ATOM 0 H ASP B 31 -2.706 -2.197 -15.029 1.00 1.37 H new ATOM 0 HA ASP B 31 -0.123 -1.523 -13.961 1.00 1.13 H new ATOM 0 HB2 ASP B 31 -0.099 -0.257 -16.129 1.00 1.17 H new ATOM 0 HB3 ASP B 31 -1.554 0.575 -15.616 1.00 1.17 H new ATOM 2131 N SER B 32 -3.146 -0.181 -13.617 1.00 1.02 N ATOM 2132 CA SER B 32 -4.315 -0.041 -12.762 1.00 1.08 C ATOM 2133 C SER B 32 -5.554 0.115 -13.658 1.00 1.07 C ATOM 2134 O SER B 32 -5.506 -0.270 -14.827 1.00 1.17 O ATOM 2135 CB SER B 32 -4.116 1.119 -11.778 1.00 1.13 C ATOM 2136 OG SER B 32 -5.175 1.171 -10.835 1.00 1.88 O ATOM 0 H SER B 32 -3.285 0.219 -14.545 1.00 1.02 H new ATOM 0 HA SER B 32 -4.463 -0.928 -12.146 1.00 1.08 H new ATOM 0 HB2 SER B 32 -3.166 1.000 -11.257 1.00 1.13 H new ATOM 0 HB3 SER B 32 -4.064 2.060 -12.325 1.00 1.13 H new ATOM 0 HG SER B 32 -5.416 0.261 -10.563 1.00 1.88 H new ATOM 2142 N LEU B 33 -6.641 0.652 -13.093 1.00 1.02 N ATOM 2143 CA LEU B 33 -7.964 0.793 -13.696 1.00 1.01 C ATOM 2144 C LEU B 33 -8.271 2.281 -13.908 1.00 1.01 C ATOM 2145 O LEU B 33 -7.395 3.134 -13.727 1.00 1.14 O ATOM 2146 CB LEU B 33 -9.032 0.165 -12.776 1.00 0.94 C ATOM 2147 CG LEU B 33 -8.855 -1.307 -12.380 1.00 1.07 C ATOM 2148 CD1 LEU B 33 -8.654 -2.222 -13.593 1.00 1.85 C ATOM 2149 CD2 LEU B 33 -7.736 -1.487 -11.355 1.00 1.18 C ATOM 0 H LEU B 33 -6.615 1.022 -12.143 1.00 1.02 H new ATOM 0 HA LEU B 33 -7.979 0.278 -14.657 1.00 1.01 H new ATOM 0 HB2 LEU B 33 -9.076 0.756 -11.861 1.00 0.94 H new ATOM 0 HB3 LEU B 33 -10.000 0.266 -13.267 1.00 0.94 H new ATOM 0 HG LEU B 33 -9.789 -1.612 -11.907 1.00 1.07 H new ATOM 0 HD11 LEU B 33 -8.534 -3.252 -13.256 1.00 1.85 H new ATOM 0 HD12 LEU B 33 -9.522 -2.154 -14.248 1.00 1.85 H new ATOM 0 HD13 LEU B 33 -7.763 -1.912 -14.139 1.00 1.85 H new ATOM 0 HD21 LEU B 33 -7.642 -2.543 -11.100 1.00 1.18 H new ATOM 0 HD22 LEU B 33 -6.796 -1.130 -11.776 1.00 1.18 H new ATOM 0 HD23 LEU B 33 -7.971 -0.917 -10.456 1.00 1.18 H new ATOM 2161 N SER B 34 -9.524 2.604 -14.242 1.00 0.96 N ATOM 2162 CA SER B 34 -9.950 3.990 -14.395 1.00 0.93 C ATOM 2163 C SER B 34 -10.049 4.643 -13.018 1.00 0.97 C ATOM 2164 O SER B 34 -10.237 3.958 -12.012 1.00 1.05 O ATOM 2165 CB SER B 34 -11.246 4.119 -15.209 1.00 1.01 C ATOM 2166 OG SER B 34 -11.341 3.098 -16.181 1.00 1.45 O ATOM 0 H SER B 34 -10.260 1.919 -14.411 1.00 0.96 H new ATOM 0 HA SER B 34 -9.199 4.525 -14.976 1.00 0.93 H new ATOM 0 HB2 SER B 34 -12.105 4.070 -14.540 1.00 1.01 H new ATOM 0 HB3 SER B 34 -11.277 5.093 -15.697 1.00 1.01 H new ATOM 0 HG SER B 34 -11.816 2.329 -15.802 1.00 1.45 H new ATOM 2172 N VAL B 35 -9.907 5.966 -12.946 1.00 0.99 N ATOM 2173 CA VAL B 35 -9.764 6.636 -11.659 1.00 1.08 C ATOM 2174 C VAL B 35 -11.035 6.489 -10.810 1.00 1.12 C ATOM 2175 O VAL B 35 -10.981 5.954 -9.700 1.00 1.12 O ATOM 2176 CB VAL B 35 -9.380 8.097 -11.907 1.00 1.16 C ATOM 2177 CG1 VAL B 35 -9.388 8.955 -10.644 1.00 1.39 C ATOM 2178 CG2 VAL B 35 -8.018 8.260 -12.597 1.00 1.15 C ATOM 0 H VAL B 35 -9.888 6.587 -13.755 1.00 0.99 H new ATOM 0 HA VAL B 35 -8.969 6.166 -11.080 1.00 1.08 H new ATOM 0 HB VAL B 35 -10.163 8.452 -12.577 1.00 1.16 H new ATOM 0 HG11 VAL B 35 -9.106 9.977 -10.897 1.00 1.39 H new ATOM 0 HG12 VAL B 35 -10.387 8.951 -10.208 1.00 1.39 H new ATOM 0 HG13 VAL B 35 -8.677 8.550 -9.924 1.00 1.39 H new ATOM 0 HG21 VAL B 35 -7.808 9.320 -12.742 1.00 1.15 H new ATOM 0 HG22 VAL B 35 -7.240 7.818 -11.975 1.00 1.15 H new ATOM 0 HG23 VAL B 35 -8.038 7.758 -13.564 1.00 1.15 H new ATOM 2188 N ASN B 36 -12.183 6.971 -11.309 1.00 1.20 N ATOM 2189 CA ASN B 36 -13.422 6.915 -10.530 1.00 1.38 C ATOM 2190 C ASN B 36 -13.767 5.452 -10.243 1.00 1.36 C ATOM 2191 O ASN B 36 -14.014 5.086 -9.097 1.00 1.41 O ATOM 2192 CB ASN B 36 -14.617 7.603 -11.220 1.00 1.59 C ATOM 2193 CG ASN B 36 -15.520 8.281 -10.190 1.00 2.70 C ATOM 2194 OD1 ASN B 36 -16.240 7.615 -9.450 1.00 3.44 O ATOM 2195 ND2 ASN B 36 -15.495 9.610 -10.087 1.00 3.31 N ATOM 0 H ASN B 36 -12.276 7.396 -12.232 1.00 1.20 H new ATOM 0 HA ASN B 36 -13.242 7.465 -9.606 1.00 1.38 H new ATOM 0 HB2 ASN B 36 -14.254 8.342 -11.935 1.00 1.59 H new ATOM 0 HB3 ASN B 36 -15.190 6.867 -11.785 1.00 1.59 H new ATOM 0 HD21 ASN B 36 -16.075 10.079 -9.391 1.00 3.31 H new ATOM 0 HD22 ASN B 36 -14.895 10.158 -10.704 1.00 3.31 H new ATOM 2202 N GLU B 37 -13.743 4.632 -11.304 1.00 1.35 N ATOM 2203 CA GLU B 37 -13.948 3.189 -11.271 1.00 1.36 C ATOM 2204 C GLU B 37 -13.209 2.596 -10.078 1.00 1.23 C ATOM 2205 O GLU B 37 -13.821 2.016 -9.181 1.00 1.30 O ATOM 2206 CB GLU B 37 -13.431 2.594 -12.591 1.00 1.43 C ATOM 2207 CG GLU B 37 -13.481 1.062 -12.676 1.00 1.36 C ATOM 2208 CD GLU B 37 -12.803 0.535 -13.939 1.00 2.03 C ATOM 2209 OE1 GLU B 37 -11.876 1.222 -14.427 1.00 2.90 O ATOM 2210 OE2 GLU B 37 -13.209 -0.558 -14.381 1.00 2.68 O ATOM 0 H GLU B 37 -13.572 4.979 -12.248 1.00 1.35 H new ATOM 0 HA GLU B 37 -15.007 2.954 -11.163 1.00 1.36 H new ATOM 0 HB2 GLU B 37 -14.016 3.008 -13.412 1.00 1.43 H new ATOM 0 HB3 GLU B 37 -12.401 2.918 -12.739 1.00 1.43 H new ATOM 0 HG2 GLU B 37 -12.995 0.635 -11.799 1.00 1.36 H new ATOM 0 HG3 GLU B 37 -14.520 0.732 -12.658 1.00 1.36 H new ATOM 2217 N PHE B 38 -11.886 2.773 -10.050 1.00 1.06 N ATOM 2218 CA PHE B 38 -11.059 2.233 -8.993 1.00 0.87 C ATOM 2219 C PHE B 38 -11.573 2.628 -7.608 1.00 0.91 C ATOM 2220 O PHE B 38 -11.588 1.790 -6.713 1.00 0.95 O ATOM 2221 CB PHE B 38 -9.595 2.631 -9.176 1.00 0.72 C ATOM 2222 CG PHE B 38 -8.698 1.976 -8.144 1.00 1.00 C ATOM 2223 CD1 PHE B 38 -8.717 0.575 -8.014 1.00 2.31 C ATOM 2224 CD2 PHE B 38 -8.063 2.758 -7.161 1.00 1.66 C ATOM 2225 CE1 PHE B 38 -8.201 -0.031 -6.859 1.00 2.93 C ATOM 2226 CE2 PHE B 38 -7.460 2.143 -6.051 1.00 1.96 C ATOM 2227 CZ PHE B 38 -7.563 0.752 -5.884 1.00 2.31 C ATOM 0 H PHE B 38 -11.370 3.293 -10.760 1.00 1.06 H new ATOM 0 HA PHE B 38 -11.120 1.147 -9.060 1.00 0.87 H new ATOM 0 HB2 PHE B 38 -9.264 2.349 -10.176 1.00 0.72 H new ATOM 0 HB3 PHE B 38 -9.501 3.715 -9.103 1.00 0.72 H new ATOM 0 HD1 PHE B 38 -9.129 -0.034 -8.805 1.00 2.31 H new ATOM 0 HD2 PHE B 38 -8.039 3.833 -7.260 1.00 1.66 H new ATOM 0 HE1 PHE B 38 -8.294 -1.098 -6.720 1.00 2.93 H new ATOM 0 HE2 PHE B 38 -6.920 2.737 -5.329 1.00 1.96 H new ATOM 0 HZ PHE B 38 -7.150 0.284 -5.003 1.00 2.31 H new ATOM 2237 N LYS B 39 -12.021 3.875 -7.418 1.00 0.95 N ATOM 2238 CA LYS B 39 -12.606 4.279 -6.144 1.00 0.99 C ATOM 2239 C LYS B 39 -13.807 3.394 -5.768 1.00 1.06 C ATOM 2240 O LYS B 39 -13.968 3.045 -4.595 1.00 1.11 O ATOM 2241 CB LYS B 39 -12.858 5.802 -6.084 1.00 1.27 C ATOM 2242 CG LYS B 39 -14.189 6.275 -5.473 1.00 1.02 C ATOM 2243 CD LYS B 39 -15.237 6.424 -6.585 1.00 1.70 C ATOM 2244 CE LYS B 39 -16.611 6.909 -6.103 1.00 2.48 C ATOM 2245 NZ LYS B 39 -17.587 6.980 -7.216 1.00 3.59 N ATOM 0 H LYS B 39 -11.988 4.610 -8.124 1.00 0.95 H new ATOM 0 HA LYS B 39 -11.878 4.100 -5.353 1.00 0.99 H new ATOM 0 HB2 LYS B 39 -12.046 6.256 -5.516 1.00 1.27 H new ATOM 0 HB3 LYS B 39 -12.795 6.194 -7.099 1.00 1.27 H new ATOM 0 HG2 LYS B 39 -14.534 5.559 -4.727 1.00 1.02 H new ATOM 0 HG3 LYS B 39 -14.049 7.227 -4.961 1.00 1.02 H new ATOM 0 HD2 LYS B 39 -14.860 7.124 -7.331 1.00 1.70 H new ATOM 0 HD3 LYS B 39 -15.359 5.462 -7.083 1.00 1.70 H new ATOM 0 HE2 LYS B 39 -16.986 6.235 -5.333 1.00 2.48 H new ATOM 0 HE3 LYS B 39 -16.510 7.893 -5.644 1.00 2.48 H new ATOM 0 HZ1 LYS B 39 -18.226 7.786 -7.066 1.00 3.59 H new ATOM 0 HZ2 LYS B 39 -17.080 7.103 -8.115 1.00 3.59 H new ATOM 0 HZ3 LYS B 39 -18.141 6.100 -7.249 1.00 3.59 H new ATOM 2259 N GLU B 40 -14.647 3.027 -6.737 1.00 1.11 N ATOM 2260 CA GLU B 40 -15.792 2.167 -6.480 1.00 1.19 C ATOM 2261 C GLU B 40 -15.313 0.751 -6.185 1.00 1.14 C ATOM 2262 O GLU B 40 -15.671 0.173 -5.161 1.00 1.29 O ATOM 2263 CB GLU B 40 -16.805 2.234 -7.630 1.00 1.29 C ATOM 2264 CG GLU B 40 -17.154 3.706 -7.875 1.00 1.41 C ATOM 2265 CD GLU B 40 -18.490 3.944 -8.548 1.00 1.74 C ATOM 2266 OE1 GLU B 40 -19.000 3.021 -9.213 1.00 2.19 O ATOM 2267 OE2 GLU B 40 -18.957 5.089 -8.354 1.00 3.03 O ATOM 0 H GLU B 40 -14.551 3.316 -7.710 1.00 1.11 H new ATOM 0 HA GLU B 40 -16.323 2.522 -5.597 1.00 1.19 H new ATOM 0 HB2 GLU B 40 -16.386 1.787 -8.532 1.00 1.29 H new ATOM 0 HB3 GLU B 40 -17.702 1.667 -7.380 1.00 1.29 H new ATOM 0 HG2 GLU B 40 -17.148 4.229 -6.919 1.00 1.41 H new ATOM 0 HG3 GLU B 40 -16.371 4.152 -8.488 1.00 1.41 H new ATOM 2274 N LEU B 41 -14.463 0.208 -7.058 1.00 1.00 N ATOM 2275 CA LEU B 41 -13.909 -1.126 -6.878 1.00 0.95 C ATOM 2276 C LEU B 41 -13.267 -1.262 -5.492 1.00 0.88 C ATOM 2277 O LEU B 41 -13.622 -2.176 -4.753 1.00 0.90 O ATOM 2278 CB LEU B 41 -12.918 -1.458 -8.004 1.00 0.97 C ATOM 2279 CG LEU B 41 -13.548 -2.035 -9.289 1.00 1.44 C ATOM 2280 CD1 LEU B 41 -13.931 -3.509 -9.118 1.00 1.69 C ATOM 2281 CD2 LEU B 41 -14.766 -1.252 -9.798 1.00 3.09 C ATOM 0 H LEU B 41 -14.144 0.681 -7.903 1.00 1.00 H new ATOM 0 HA LEU B 41 -14.720 -1.852 -6.934 1.00 0.95 H new ATOM 0 HB2 LEU B 41 -12.371 -0.551 -8.263 1.00 0.97 H new ATOM 0 HB3 LEU B 41 -12.188 -2.173 -7.624 1.00 0.97 H new ATOM 0 HG LEU B 41 -12.767 -1.939 -10.043 1.00 1.44 H new ATOM 0 HD11 LEU B 41 -14.371 -3.880 -10.043 1.00 1.69 H new ATOM 0 HD12 LEU B 41 -13.041 -4.091 -8.881 1.00 1.69 H new ATOM 0 HD13 LEU B 41 -14.654 -3.605 -8.308 1.00 1.69 H new ATOM 0 HD21 LEU B 41 -15.149 -1.723 -10.704 1.00 3.09 H new ATOM 0 HD22 LEU B 41 -15.543 -1.251 -9.034 1.00 3.09 H new ATOM 0 HD23 LEU B 41 -14.472 -0.226 -10.019 1.00 3.09 H new ATOM 2293 N VAL B 42 -12.352 -0.358 -5.113 1.00 0.86 N ATOM 2294 CA VAL B 42 -11.675 -0.456 -3.823 1.00 0.88 C ATOM 2295 C VAL B 42 -12.706 -0.429 -2.702 1.00 0.97 C ATOM 2296 O VAL B 42 -12.715 -1.348 -1.891 1.00 0.95 O ATOM 2297 CB VAL B 42 -10.537 0.572 -3.619 1.00 0.92 C ATOM 2298 CG1 VAL B 42 -11.009 2.025 -3.478 1.00 2.26 C ATOM 2299 CG2 VAL B 42 -9.716 0.207 -2.375 1.00 2.17 C ATOM 0 H VAL B 42 -12.069 0.441 -5.680 1.00 0.86 H new ATOM 0 HA VAL B 42 -11.157 -1.415 -3.803 1.00 0.88 H new ATOM 0 HB VAL B 42 -9.938 0.519 -4.528 1.00 0.92 H new ATOM 0 HG11 VAL B 42 -10.146 2.676 -3.339 1.00 2.26 H new ATOM 0 HG12 VAL B 42 -11.546 2.322 -4.379 1.00 2.26 H new ATOM 0 HG13 VAL B 42 -11.671 2.111 -2.616 1.00 2.26 H new ATOM 0 HG21 VAL B 42 -8.917 0.936 -2.239 1.00 2.17 H new ATOM 0 HG22 VAL B 42 -10.363 0.210 -1.498 1.00 2.17 H new ATOM 0 HG23 VAL B 42 -9.284 -0.785 -2.503 1.00 2.17 H new ATOM 2309 N THR B 43 -13.574 0.591 -2.646 1.00 1.17 N ATOM 2310 CA THR B 43 -14.479 0.713 -1.511 1.00 1.42 C ATOM 2311 C THR B 43 -15.376 -0.527 -1.427 1.00 1.42 C ATOM 2312 O THR B 43 -15.486 -1.127 -0.360 1.00 1.53 O ATOM 2313 CB THR B 43 -15.217 2.066 -1.503 1.00 1.78 C ATOM 2314 OG1 THR B 43 -15.692 2.364 -0.208 1.00 1.99 O ATOM 2315 CG2 THR B 43 -16.409 2.143 -2.456 1.00 1.98 C ATOM 0 H THR B 43 -13.663 1.320 -3.354 1.00 1.17 H new ATOM 0 HA THR B 43 -13.908 0.732 -0.583 1.00 1.42 H new ATOM 0 HB THR B 43 -14.472 2.786 -1.840 1.00 1.78 H new ATOM 0 HG1 THR B 43 -16.156 3.227 -0.220 1.00 1.99 H new ATOM 0 HG21 THR B 43 -16.868 3.129 -2.385 1.00 1.98 H new ATOM 0 HG22 THR B 43 -16.069 1.973 -3.478 1.00 1.98 H new ATOM 0 HG23 THR B 43 -17.141 1.382 -2.186 1.00 1.98 H new ATOM 2323 N GLN B 44 -15.937 -0.975 -2.558 1.00 1.47 N ATOM 2324 CA GLN B 44 -16.738 -2.196 -2.595 1.00 1.59 C ATOM 2325 C GLN B 44 -15.933 -3.389 -2.070 1.00 1.39 C ATOM 2326 O GLN B 44 -16.443 -4.188 -1.287 1.00 1.43 O ATOM 2327 CB GLN B 44 -17.243 -2.458 -4.021 1.00 1.77 C ATOM 2328 CG GLN B 44 -18.320 -1.448 -4.448 1.00 2.58 C ATOM 2329 CD GLN B 44 -19.606 -1.592 -3.641 1.00 4.07 C ATOM 2330 OE1 GLN B 44 -20.003 -0.683 -2.920 1.00 5.83 O ATOM 2331 NE2 GLN B 44 -20.272 -2.739 -3.750 1.00 4.27 N ATOM 0 H GLN B 44 -15.848 -0.506 -3.459 1.00 1.47 H new ATOM 0 HA GLN B 44 -17.602 -2.064 -1.944 1.00 1.59 H new ATOM 0 HB2 GLN B 44 -16.405 -2.409 -4.716 1.00 1.77 H new ATOM 0 HB3 GLN B 44 -17.649 -3.468 -4.081 1.00 1.77 H new ATOM 0 HG2 GLN B 44 -17.932 -0.436 -4.330 1.00 2.58 H new ATOM 0 HG3 GLN B 44 -18.542 -1.583 -5.507 1.00 2.58 H new ATOM 0 HE21 GLN B 44 -19.919 -3.478 -4.357 1.00 4.27 H new ATOM 0 HE22 GLN B 44 -21.136 -2.879 -3.226 1.00 4.27 H new ATOM 2340 N GLN B 45 -14.667 -3.487 -2.475 1.00 1.26 N ATOM 2341 CA GLN B 45 -13.743 -4.496 -1.985 1.00 1.19 C ATOM 2342 C GLN B 45 -13.495 -4.440 -0.476 1.00 1.03 C ATOM 2343 O GLN B 45 -12.919 -5.402 0.026 1.00 1.04 O ATOM 2344 CB GLN B 45 -12.413 -4.469 -2.751 1.00 1.16 C ATOM 2345 CG GLN B 45 -12.338 -5.542 -3.842 1.00 0.90 C ATOM 2346 CD GLN B 45 -13.360 -5.336 -4.959 1.00 1.13 C ATOM 2347 OE1 GLN B 45 -14.544 -5.606 -4.795 1.00 2.41 O ATOM 2348 NE2 GLN B 45 -12.907 -4.890 -6.127 1.00 2.08 N ATOM 0 H GLN B 45 -14.254 -2.857 -3.162 1.00 1.26 H new ATOM 0 HA GLN B 45 -14.242 -5.446 -2.175 1.00 1.19 H new ATOM 0 HB2 GLN B 45 -12.279 -3.486 -3.203 1.00 1.16 H new ATOM 0 HB3 GLN B 45 -11.591 -4.612 -2.049 1.00 1.16 H new ATOM 0 HG2 GLN B 45 -11.336 -5.546 -4.271 1.00 0.90 H new ATOM 0 HG3 GLN B 45 -12.495 -6.522 -3.391 1.00 0.90 H new ATOM 0 HE21 GLN B 45 -11.917 -4.672 -6.240 1.00 2.08 H new ATOM 0 HE22 GLN B 45 -13.549 -4.766 -6.910 1.00 2.08 H new ATOM 2357 N LEU B 46 -13.825 -3.346 0.230 1.00 0.96 N ATOM 2358 CA LEU B 46 -13.656 -3.268 1.680 1.00 0.80 C ATOM 2359 C LEU B 46 -14.985 -3.507 2.429 1.00 0.76 C ATOM 2360 O LEU B 46 -15.527 -2.567 3.013 1.00 0.90 O ATOM 2361 CB LEU B 46 -13.014 -1.932 2.118 1.00 0.94 C ATOM 2362 CG LEU B 46 -11.906 -1.317 1.244 1.00 1.52 C ATOM 2363 CD1 LEU B 46 -11.274 -0.156 2.008 1.00 2.76 C ATOM 2364 CD2 LEU B 46 -10.768 -2.238 0.798 1.00 1.95 C ATOM 0 H LEU B 46 -14.213 -2.501 -0.189 1.00 0.96 H new ATOM 0 HA LEU B 46 -12.970 -4.070 1.953 1.00 0.80 H new ATOM 0 HB2 LEU B 46 -13.813 -1.195 2.204 1.00 0.94 H new ATOM 0 HB3 LEU B 46 -12.604 -2.076 3.118 1.00 0.94 H new ATOM 0 HG LEU B 46 -12.423 -1.033 0.327 1.00 1.52 H new ATOM 0 HD11 LEU B 46 -10.486 0.292 1.403 1.00 2.76 H new ATOM 0 HD12 LEU B 46 -12.035 0.594 2.225 1.00 2.76 H new ATOM 0 HD13 LEU B 46 -10.849 -0.523 2.942 1.00 2.76 H new ATOM 0 HD21 LEU B 46 -10.061 -1.674 0.190 1.00 1.95 H new ATOM 0 HD22 LEU B 46 -10.257 -2.636 1.675 1.00 1.95 H new ATOM 0 HD23 LEU B 46 -11.175 -3.061 0.211 1.00 1.95 H new ATOM 2376 N PRO B 47 -15.551 -4.729 2.474 1.00 0.75 N ATOM 2377 CA PRO B 47 -16.814 -4.977 3.158 1.00 0.92 C ATOM 2378 C PRO B 47 -16.768 -4.693 4.665 1.00 0.98 C ATOM 2379 O PRO B 47 -17.831 -4.617 5.282 1.00 1.10 O ATOM 2380 CB PRO B 47 -17.174 -6.438 2.872 1.00 1.11 C ATOM 2381 CG PRO B 47 -15.817 -7.085 2.614 1.00 1.02 C ATOM 2382 CD PRO B 47 -15.069 -5.970 1.890 1.00 0.79 C ATOM 0 HA PRO B 47 -17.573 -4.290 2.784 1.00 0.92 H new ATOM 0 HB2 PRO B 47 -17.687 -6.899 3.716 1.00 1.11 H new ATOM 0 HB3 PRO B 47 -17.834 -6.529 2.010 1.00 1.11 H new ATOM 0 HG2 PRO B 47 -15.321 -7.376 3.540 1.00 1.02 H new ATOM 0 HG3 PRO B 47 -15.903 -7.983 2.003 1.00 1.02 H new ATOM 0 HD2 PRO B 47 -13.992 -6.072 2.021 1.00 0.79 H new ATOM 0 HD3 PRO B 47 -15.264 -6.000 0.818 1.00 0.79 H new ATOM 2390 N HIS B 48 -15.579 -4.551 5.266 1.00 1.16 N ATOM 2391 CA HIS B 48 -15.417 -4.363 6.703 1.00 1.27 C ATOM 2392 C HIS B 48 -16.344 -3.293 7.302 1.00 1.44 C ATOM 2393 O HIS B 48 -16.872 -3.515 8.388 1.00 2.37 O ATOM 2394 CB HIS B 48 -13.942 -4.087 7.023 1.00 1.42 C ATOM 2395 CG HIS B 48 -13.595 -4.083 8.495 1.00 1.84 C ATOM 2396 ND1 HIS B 48 -14.446 -4.322 9.555 1.00 3.14 N ATOM 2397 CD2 HIS B 48 -12.345 -3.872 9.014 1.00 2.44 C ATOM 2398 CE1 HIS B 48 -13.717 -4.252 10.681 1.00 3.76 C ATOM 2399 NE2 HIS B 48 -12.436 -3.954 10.407 1.00 3.21 N ATOM 0 H HIS B 48 -14.696 -4.564 4.756 1.00 1.16 H new ATOM 0 HA HIS B 48 -15.724 -5.291 7.184 1.00 1.27 H new ATOM 0 HB2 HIS B 48 -13.331 -4.839 6.524 1.00 1.42 H new ATOM 0 HB3 HIS B 48 -13.669 -3.121 6.598 1.00 1.42 H new ATOM 0 HD1 HIS B 48 -15.446 -4.516 9.494 1.00 3.14 H new ATOM 0 HD2 HIS B 48 -11.447 -3.677 8.447 1.00 2.44 H new ATOM 0 HE1 HIS B 48 -14.109 -4.414 11.674 1.00 3.76 H new ATOM 2407 N LEU B 49 -16.555 -2.134 6.658 1.00 1.25 N ATOM 2408 CA LEU B 49 -17.462 -1.123 7.221 1.00 1.33 C ATOM 2409 C LEU B 49 -18.019 -0.158 6.168 1.00 1.27 C ATOM 2410 O LEU B 49 -19.231 0.043 6.129 1.00 1.54 O ATOM 2411 CB LEU B 49 -16.800 -0.362 8.388 1.00 1.40 C ATOM 2412 CG LEU B 49 -17.720 0.052 9.555 1.00 1.72 C ATOM 2413 CD1 LEU B 49 -19.049 0.686 9.131 1.00 1.89 C ATOM 2414 CD2 LEU B 49 -17.987 -1.135 10.490 1.00 3.31 C ATOM 0 H LEU B 49 -16.122 -1.878 5.770 1.00 1.25 H new ATOM 0 HA LEU B 49 -18.319 -1.669 7.614 1.00 1.33 H new ATOM 0 HB2 LEU B 49 -16.000 -0.984 8.789 1.00 1.40 H new ATOM 0 HB3 LEU B 49 -16.334 0.538 7.987 1.00 1.40 H new ATOM 0 HG LEU B 49 -17.168 0.831 10.081 1.00 1.72 H new ATOM 0 HD11 LEU B 49 -19.628 0.944 10.018 1.00 1.89 H new ATOM 0 HD12 LEU B 49 -18.853 1.587 8.550 1.00 1.89 H new ATOM 0 HD13 LEU B 49 -19.612 -0.022 8.523 1.00 1.89 H new ATOM 0 HD21 LEU B 49 -18.638 -0.817 11.305 1.00 3.31 H new ATOM 0 HD22 LEU B 49 -18.470 -1.937 9.931 1.00 3.31 H new ATOM 0 HD23 LEU B 49 -17.043 -1.495 10.899 1.00 3.31 H new ATOM 2426 N LEU B 50 -17.155 0.447 5.342 1.00 1.15 N ATOM 2427 CA LEU B 50 -17.517 1.486 4.375 1.00 1.32 C ATOM 2428 C LEU B 50 -18.013 2.732 5.112 1.00 1.29 C ATOM 2429 O LEU B 50 -19.101 3.241 4.855 1.00 1.57 O ATOM 2430 CB LEU B 50 -18.540 0.971 3.351 1.00 1.80 C ATOM 2431 CG LEU B 50 -18.098 -0.358 2.716 1.00 2.00 C ATOM 2432 CD1 LEU B 50 -19.062 -1.497 3.059 1.00 3.86 C ATOM 2433 CD2 LEU B 50 -17.993 -0.195 1.207 1.00 2.45 C ATOM 0 H LEU B 50 -16.161 0.220 5.329 1.00 1.15 H new ATOM 0 HA LEU B 50 -16.629 1.761 3.807 1.00 1.32 H new ATOM 0 HB2 LEU B 50 -19.505 0.837 3.839 1.00 1.80 H new ATOM 0 HB3 LEU B 50 -18.679 1.718 2.570 1.00 1.80 H new ATOM 0 HG LEU B 50 -17.122 -0.620 3.124 1.00 2.00 H new ATOM 0 HD11 LEU B 50 -18.716 -2.419 2.592 1.00 3.86 H new ATOM 0 HD12 LEU B 50 -19.099 -1.629 4.140 1.00 3.86 H new ATOM 0 HD13 LEU B 50 -20.058 -1.255 2.689 1.00 3.86 H new ATOM 0 HD21 LEU B 50 -17.680 -1.138 0.760 1.00 2.45 H new ATOM 0 HD22 LEU B 50 -18.964 0.093 0.804 1.00 2.45 H new ATOM 0 HD23 LEU B 50 -17.260 0.578 0.975 1.00 2.45 H new ATOM 2445 N LYS B 51 -17.237 3.156 6.111 1.00 1.12 N ATOM 2446 CA LYS B 51 -17.658 4.178 7.061 1.00 1.31 C ATOM 2447 C LYS B 51 -17.481 5.627 6.596 1.00 1.41 C ATOM 2448 O LYS B 51 -18.184 6.486 7.131 1.00 1.84 O ATOM 2449 CB LYS B 51 -17.013 3.922 8.420 1.00 1.41 C ATOM 2450 CG LYS B 51 -15.494 4.046 8.370 1.00 1.31 C ATOM 2451 CD LYS B 51 -14.931 5.468 8.469 1.00 1.45 C ATOM 2452 CE LYS B 51 -15.443 6.365 9.588 1.00 1.65 C ATOM 2453 NZ LYS B 51 -16.616 7.193 9.198 1.00 2.96 N ATOM 0 H LYS B 51 -16.297 2.797 6.281 1.00 1.12 H new ATOM 0 HA LYS B 51 -18.740 4.078 7.146 1.00 1.31 H new ATOM 0 HB2 LYS B 51 -17.410 4.630 9.148 1.00 1.41 H new ATOM 0 HB3 LYS B 51 -17.283 2.924 8.766 1.00 1.41 H new ATOM 0 HG2 LYS B 51 -15.074 3.453 9.183 1.00 1.31 H new ATOM 0 HG3 LYS B 51 -15.144 3.602 7.438 1.00 1.31 H new ATOM 0 HD2 LYS B 51 -13.849 5.392 8.571 1.00 1.45 H new ATOM 0 HD3 LYS B 51 -15.127 5.971 7.522 1.00 1.45 H new ATOM 0 HE2 LYS B 51 -15.714 5.746 10.443 1.00 1.65 H new ATOM 0 HE3 LYS B 51 -14.637 7.022 9.913 1.00 1.65 H new ATOM 0 HZ1 LYS B 51 -17.087 7.552 10.053 1.00 2.96 H new ATOM 0 HZ2 LYS B 51 -16.298 7.994 8.616 1.00 2.96 H new ATOM 0 HZ3 LYS B 51 -17.285 6.613 8.652 1.00 2.96 H new ATOM 2467 N ASP B 52 -16.461 5.935 5.788 1.00 1.25 N ATOM 2468 CA ASP B 52 -16.174 7.262 5.230 1.00 1.60 C ATOM 2469 C ASP B 52 -15.638 8.256 6.265 1.00 1.85 C ATOM 2470 O ASP B 52 -16.396 8.809 7.064 1.00 3.13 O ATOM 2471 CB ASP B 52 -17.322 7.889 4.436 1.00 2.96 C ATOM 2472 CG ASP B 52 -17.820 7.044 3.270 1.00 3.72 C ATOM 2473 OD1 ASP B 52 -16.990 6.312 2.690 1.00 3.31 O ATOM 2474 OD2 ASP B 52 -19.021 7.178 2.954 1.00 5.30 O ATOM 0 H ASP B 52 -15.782 5.234 5.491 1.00 1.25 H new ATOM 0 HA ASP B 52 -15.379 7.056 4.514 1.00 1.60 H new ATOM 0 HB2 ASP B 52 -18.155 8.077 5.113 1.00 2.96 H new ATOM 0 HB3 ASP B 52 -16.997 8.857 4.054 1.00 2.96 H new ATOM 2479 N VAL B 53 -14.319 8.412 6.355 1.00 1.45 N ATOM 2480 CA VAL B 53 -13.668 9.529 7.040 1.00 2.13 C ATOM 2481 C VAL B 53 -13.122 10.489 5.978 1.00 1.24 C ATOM 2482 O VAL B 53 -13.182 10.183 4.791 1.00 1.99 O ATOM 2483 CB VAL B 53 -12.599 8.984 8.016 1.00 3.79 C ATOM 2484 CG1 VAL B 53 -11.137 9.202 7.602 1.00 5.19 C ATOM 2485 CG2 VAL B 53 -12.805 9.566 9.420 1.00 4.09 C ATOM 0 H VAL B 53 -13.658 7.752 5.945 1.00 1.45 H new ATOM 0 HA VAL B 53 -14.367 10.096 7.655 1.00 2.13 H new ATOM 0 HB VAL B 53 -12.756 7.905 7.998 1.00 3.79 H new ATOM 0 HG11 VAL B 53 -10.477 8.780 8.360 1.00 5.19 H new ATOM 0 HG12 VAL B 53 -10.952 8.711 6.646 1.00 5.19 H new ATOM 0 HG13 VAL B 53 -10.942 10.270 7.505 1.00 5.19 H new ATOM 0 HG21 VAL B 53 -12.044 9.171 10.093 1.00 4.09 H new ATOM 0 HG22 VAL B 53 -12.725 10.652 9.379 1.00 4.09 H new ATOM 0 HG23 VAL B 53 -13.793 9.289 9.787 1.00 4.09 H new ATOM 2495 N GLY B 54 -12.564 11.632 6.385 1.00 1.62 N ATOM 2496 CA GLY B 54 -12.017 12.651 5.490 1.00 1.39 C ATOM 2497 C GLY B 54 -11.064 12.128 4.403 1.00 1.41 C ATOM 2498 O GLY B 54 -10.912 12.764 3.366 1.00 1.79 O ATOM 0 H GLY B 54 -12.479 11.879 7.371 1.00 1.62 H new ATOM 0 HA2 GLY B 54 -12.845 13.168 5.006 1.00 1.39 H new ATOM 0 HA3 GLY B 54 -11.487 13.391 6.090 1.00 1.39 H new ATOM 2502 N SER B 55 -10.429 10.971 4.596 1.00 1.39 N ATOM 2503 CA SER B 55 -9.556 10.399 3.574 1.00 1.68 C ATOM 2504 C SER B 55 -10.365 9.862 2.385 1.00 1.77 C ATOM 2505 O SER B 55 -9.875 9.820 1.259 1.00 2.01 O ATOM 2506 CB SER B 55 -8.606 9.367 4.181 1.00 1.95 C ATOM 2507 OG SER B 55 -7.762 10.019 5.111 1.00 2.07 O ATOM 0 H SER B 55 -10.503 10.415 5.448 1.00 1.39 H new ATOM 0 HA SER B 55 -8.926 11.192 3.171 1.00 1.68 H new ATOM 0 HB2 SER B 55 -9.172 8.576 4.674 1.00 1.95 H new ATOM 0 HB3 SER B 55 -8.012 8.894 3.399 1.00 1.95 H new ATOM 0 HG SER B 55 -7.341 10.794 4.683 1.00 2.07 H new ATOM 2513 N LEU B 56 -11.634 9.506 2.606 1.00 1.59 N ATOM 2514 CA LEU B 56 -12.590 9.342 1.520 1.00 1.55 C ATOM 2515 C LEU B 56 -12.588 10.629 0.698 1.00 1.52 C ATOM 2516 O LEU B 56 -12.381 10.586 -0.514 1.00 1.50 O ATOM 2517 CB LEU B 56 -13.985 9.056 2.097 1.00 1.59 C ATOM 2518 CG LEU B 56 -15.051 8.558 1.107 1.00 2.36 C ATOM 2519 CD1 LEU B 56 -15.321 9.477 -0.090 1.00 2.67 C ATOM 2520 CD2 LEU B 56 -14.757 7.134 0.622 1.00 3.51 C ATOM 0 H LEU B 56 -12.019 9.326 3.533 1.00 1.59 H new ATOM 0 HA LEU B 56 -12.317 8.501 0.883 1.00 1.55 H new ATOM 0 HB2 LEU B 56 -13.881 8.313 2.888 1.00 1.59 H new ATOM 0 HB3 LEU B 56 -14.354 9.969 2.564 1.00 1.59 H new ATOM 0 HG LEU B 56 -15.969 8.565 1.694 1.00 2.36 H new ATOM 0 HD11 LEU B 56 -16.088 9.032 -0.724 1.00 2.67 H new ATOM 0 HD12 LEU B 56 -15.663 10.448 0.267 1.00 2.67 H new ATOM 0 HD13 LEU B 56 -14.404 9.605 -0.665 1.00 2.67 H new ATOM 0 HD21 LEU B 56 -15.533 6.820 -0.076 1.00 3.51 H new ATOM 0 HD22 LEU B 56 -13.789 7.113 0.121 1.00 3.51 H new ATOM 0 HD23 LEU B 56 -14.739 6.456 1.475 1.00 3.51 H new ATOM 2532 N ASP B 57 -12.793 11.768 1.369 1.00 1.60 N ATOM 2533 CA ASP B 57 -12.885 13.060 0.698 1.00 1.65 C ATOM 2534 C ASP B 57 -11.589 13.407 -0.044 1.00 1.60 C ATOM 2535 O ASP B 57 -11.665 13.745 -1.228 1.00 1.58 O ATOM 2536 CB ASP B 57 -13.322 14.175 1.654 1.00 1.80 C ATOM 2537 CG ASP B 57 -13.254 15.528 0.957 1.00 2.12 C ATOM 2538 OD1 ASP B 57 -14.052 15.735 0.019 1.00 2.90 O ATOM 2539 OD2 ASP B 57 -12.376 16.327 1.345 1.00 3.11 O ATOM 0 H ASP B 57 -12.898 11.816 2.382 1.00 1.60 H new ATOM 0 HA ASP B 57 -13.668 12.974 -0.056 1.00 1.65 H new ATOM 0 HB2 ASP B 57 -14.338 13.988 2.001 1.00 1.80 H new ATOM 0 HB3 ASP B 57 -12.680 14.180 2.535 1.00 1.80 H new ATOM 2544 N GLU B 58 -10.415 13.269 0.612 1.00 1.70 N ATOM 2545 CA GLU B 58 -9.091 13.418 -0.021 1.00 1.76 C ATOM 2546 C GLU B 58 -9.147 12.790 -1.416 1.00 1.39 C ATOM 2547 O GLU B 58 -8.811 13.410 -2.427 1.00 1.47 O ATOM 2548 CB GLU B 58 -7.965 12.679 0.749 1.00 1.98 C ATOM 2549 CG GLU B 58 -7.359 13.333 2.002 1.00 2.71 C ATOM 2550 CD GLU B 58 -6.196 12.494 2.559 1.00 4.42 C ATOM 2551 OE1 GLU B 58 -5.060 12.637 2.037 1.00 4.88 O ATOM 2552 OE2 GLU B 58 -6.453 11.705 3.498 1.00 5.76 O ATOM 0 H GLU B 58 -10.363 13.049 1.607 1.00 1.70 H new ATOM 0 HA GLU B 58 -8.866 14.484 -0.036 1.00 1.76 H new ATOM 0 HB2 GLU B 58 -8.354 11.704 1.043 1.00 1.98 H new ATOM 0 HB3 GLU B 58 -7.151 12.499 0.047 1.00 1.98 H new ATOM 0 HG2 GLU B 58 -7.004 14.334 1.758 1.00 2.71 H new ATOM 0 HG3 GLU B 58 -8.129 13.445 2.766 1.00 2.71 H new ATOM 2559 N LYS B 59 -9.611 11.541 -1.443 1.00 1.13 N ATOM 2560 CA LYS B 59 -9.725 10.770 -2.654 1.00 0.88 C ATOM 2561 C LYS B 59 -10.761 11.377 -3.588 1.00 0.90 C ATOM 2562 O LYS B 59 -10.419 11.716 -4.713 1.00 1.08 O ATOM 2563 CB LYS B 59 -10.082 9.320 -2.314 1.00 0.83 C ATOM 2564 CG LYS B 59 -8.889 8.431 -2.637 1.00 1.00 C ATOM 2565 CD LYS B 59 -9.129 6.961 -2.287 1.00 1.05 C ATOM 2566 CE LYS B 59 -10.439 6.402 -2.856 1.00 1.75 C ATOM 2567 NZ LYS B 59 -11.585 6.630 -1.946 1.00 2.26 N ATOM 0 H LYS B 59 -9.919 11.042 -0.608 1.00 1.13 H new ATOM 0 HA LYS B 59 -8.765 10.784 -3.170 1.00 0.88 H new ATOM 0 HB2 LYS B 59 -10.342 9.233 -1.259 1.00 0.83 H new ATOM 0 HB3 LYS B 59 -10.955 9.003 -2.885 1.00 0.83 H new ATOM 0 HG2 LYS B 59 -8.658 8.513 -3.699 1.00 1.00 H new ATOM 0 HG3 LYS B 59 -8.016 8.791 -2.092 1.00 1.00 H new ATOM 0 HD2 LYS B 59 -8.296 6.366 -2.662 1.00 1.05 H new ATOM 0 HD3 LYS B 59 -9.137 6.851 -1.203 1.00 1.05 H new ATOM 0 HE2 LYS B 59 -10.643 6.869 -3.819 1.00 1.75 H new ATOM 0 HE3 LYS B 59 -10.328 5.333 -3.037 1.00 1.75 H new ATOM 0 HZ1 LYS B 59 -12.101 5.738 -1.807 1.00 2.26 H new ATOM 0 HZ2 LYS B 59 -11.237 6.975 -1.029 1.00 2.26 H new ATOM 0 HZ3 LYS B 59 -12.223 7.338 -2.362 1.00 2.26 H new ATOM 2581 N MET B 60 -12.022 11.470 -3.155 1.00 0.90 N ATOM 2582 CA MET B 60 -13.121 11.881 -4.016 1.00 0.93 C ATOM 2583 C MET B 60 -12.746 13.156 -4.763 1.00 1.06 C ATOM 2584 O MET B 60 -12.825 13.204 -5.990 1.00 1.16 O ATOM 2585 CB MET B 60 -14.414 12.039 -3.198 1.00 1.03 C ATOM 2586 CG MET B 60 -15.611 12.422 -4.082 1.00 1.07 C ATOM 2587 SD MET B 60 -15.754 14.181 -4.510 1.00 2.19 S ATOM 2588 CE MET B 60 -16.989 14.102 -5.826 1.00 2.42 C ATOM 0 H MET B 60 -12.303 11.261 -2.197 1.00 0.90 H new ATOM 0 HA MET B 60 -13.310 11.108 -4.761 1.00 0.93 H new ATOM 0 HB2 MET B 60 -14.631 11.106 -2.679 1.00 1.03 H new ATOM 0 HB3 MET B 60 -14.269 12.803 -2.434 1.00 1.03 H new ATOM 0 HG2 MET B 60 -15.553 11.847 -5.006 1.00 1.07 H new ATOM 0 HG3 MET B 60 -16.525 12.117 -3.573 1.00 1.07 H new ATOM 0 HE1 MET B 60 -17.189 15.107 -6.198 1.00 2.42 H new ATOM 0 HE2 MET B 60 -16.614 13.482 -6.640 1.00 2.42 H new ATOM 0 HE3 MET B 60 -17.910 13.670 -5.435 1.00 2.42 H new ATOM 2598 N LYS B 61 -12.294 14.170 -4.024 1.00 1.25 N ATOM 2599 CA LYS B 61 -12.026 15.463 -4.632 1.00 1.54 C ATOM 2600 C LYS B 61 -10.816 15.389 -5.572 1.00 1.74 C ATOM 2601 O LYS B 61 -10.773 16.079 -6.584 1.00 2.18 O ATOM 2602 CB LYS B 61 -11.929 16.537 -3.545 1.00 1.89 C ATOM 2603 CG LYS B 61 -10.572 16.545 -2.834 1.00 2.09 C ATOM 2604 CD LYS B 61 -10.641 16.918 -1.351 1.00 2.26 C ATOM 2605 CE LYS B 61 -11.625 18.030 -0.954 1.00 2.40 C ATOM 2606 NZ LYS B 61 -11.496 19.237 -1.786 1.00 2.26 N ATOM 0 H LYS B 61 -12.110 14.119 -3.022 1.00 1.25 H new ATOM 0 HA LYS B 61 -12.857 15.757 -5.273 1.00 1.54 H new ATOM 0 HB2 LYS B 61 -12.105 17.516 -3.992 1.00 1.89 H new ATOM 0 HB3 LYS B 61 -12.718 16.375 -2.810 1.00 1.89 H new ATOM 0 HG2 LYS B 61 -10.120 15.558 -2.928 1.00 2.09 H new ATOM 0 HG3 LYS B 61 -9.912 17.247 -3.343 1.00 2.09 H new ATOM 0 HD2 LYS B 61 -10.899 16.021 -0.788 1.00 2.26 H new ATOM 0 HD3 LYS B 61 -9.643 17.219 -1.031 1.00 2.26 H new ATOM 0 HE2 LYS B 61 -12.644 17.650 -1.030 1.00 2.40 H new ATOM 0 HE3 LYS B 61 -11.462 18.296 0.090 1.00 2.40 H new ATOM 0 HZ1 LYS B 61 -11.741 20.076 -1.222 1.00 2.26 H new ATOM 0 HZ2 LYS B 61 -10.517 19.322 -2.125 1.00 2.26 H new ATOM 0 HZ3 LYS B 61 -12.139 19.168 -2.600 1.00 2.26 H new ATOM 2620 N SER B 62 -9.832 14.543 -5.250 1.00 1.53 N ATOM 2621 CA SER B 62 -8.756 14.229 -6.185 1.00 1.63 C ATOM 2622 C SER B 62 -9.307 13.593 -7.477 1.00 1.65 C ATOM 2623 O SER B 62 -9.030 14.076 -8.571 1.00 2.00 O ATOM 2624 CB SER B 62 -7.698 13.353 -5.499 1.00 1.52 C ATOM 2625 OG SER B 62 -6.559 13.197 -6.323 1.00 1.60 O ATOM 0 H SER B 62 -9.762 14.067 -4.351 1.00 1.53 H new ATOM 0 HA SER B 62 -8.267 15.155 -6.486 1.00 1.63 H new ATOM 0 HB2 SER B 62 -7.406 13.804 -4.551 1.00 1.52 H new ATOM 0 HB3 SER B 62 -8.123 12.376 -5.270 1.00 1.52 H new ATOM 0 HG SER B 62 -5.898 12.637 -5.865 1.00 1.60 H new ATOM 2631 N LEU B 63 -10.096 12.519 -7.363 1.00 1.43 N ATOM 2632 CA LEU B 63 -10.685 11.805 -8.498 1.00 1.49 C ATOM 2633 C LEU B 63 -11.483 12.772 -9.380 1.00 1.52 C ATOM 2634 O LEU B 63 -11.361 12.737 -10.604 1.00 1.54 O ATOM 2635 CB LEU B 63 -11.547 10.628 -8.002 1.00 1.44 C ATOM 2636 CG LEU B 63 -10.773 9.386 -7.510 1.00 1.47 C ATOM 2637 CD1 LEU B 63 -9.297 9.584 -7.132 1.00 1.55 C ATOM 2638 CD2 LEU B 63 -11.494 8.806 -6.296 1.00 1.66 C ATOM 0 H LEU B 63 -10.347 12.115 -6.461 1.00 1.43 H new ATOM 0 HA LEU B 63 -9.887 11.388 -9.112 1.00 1.49 H new ATOM 0 HB2 LEU B 63 -12.180 10.984 -7.189 1.00 1.44 H new ATOM 0 HB3 LEU B 63 -12.210 10.322 -8.811 1.00 1.44 H new ATOM 0 HG LEU B 63 -10.757 8.723 -8.375 1.00 1.47 H new ATOM 0 HD11 LEU B 63 -8.875 8.634 -6.804 1.00 1.55 H new ATOM 0 HD12 LEU B 63 -8.745 9.947 -7.999 1.00 1.55 H new ATOM 0 HD13 LEU B 63 -9.223 10.312 -6.324 1.00 1.55 H new ATOM 0 HD21 LEU B 63 -10.956 7.928 -5.939 1.00 1.66 H new ATOM 0 HD22 LEU B 63 -11.533 9.554 -5.504 1.00 1.66 H new ATOM 0 HD23 LEU B 63 -12.508 8.522 -6.577 1.00 1.66 H new ATOM 2650 N ASP B 64 -12.271 13.646 -8.749 1.00 1.57 N ATOM 2651 CA ASP B 64 -13.149 14.615 -9.398 1.00 1.67 C ATOM 2652 C ASP B 64 -12.502 15.361 -10.576 1.00 1.64 C ATOM 2653 O ASP B 64 -13.180 15.636 -11.564 1.00 1.81 O ATOM 2654 CB ASP B 64 -13.668 15.596 -8.342 1.00 1.77 C ATOM 2655 CG ASP B 64 -14.755 16.498 -8.904 1.00 1.84 C ATOM 2656 OD1 ASP B 64 -15.901 16.007 -8.990 1.00 2.05 O ATOM 2657 OD2 ASP B 64 -14.424 17.663 -9.208 1.00 2.31 O ATOM 0 H ASP B 64 -12.314 13.698 -7.731 1.00 1.57 H new ATOM 0 HA ASP B 64 -13.974 14.058 -9.842 1.00 1.67 H new ATOM 0 HB2 ASP B 64 -14.060 15.041 -7.490 1.00 1.77 H new ATOM 0 HB3 ASP B 64 -12.843 16.205 -7.974 1.00 1.77 H new ATOM 2662 N VAL B 65 -11.204 15.685 -10.494 1.00 1.51 N ATOM 2663 CA VAL B 65 -10.562 16.579 -11.458 1.00 1.49 C ATOM 2664 C VAL B 65 -10.529 15.998 -12.877 1.00 1.50 C ATOM 2665 O VAL B 65 -10.900 16.677 -13.831 1.00 1.66 O ATOM 2666 CB VAL B 65 -9.170 17.042 -10.979 1.00 1.62 C ATOM 2667 CG1 VAL B 65 -9.221 17.464 -9.509 1.00 3.00 C ATOM 2668 CG2 VAL B 65 -8.048 16.011 -11.163 1.00 2.53 C ATOM 0 H VAL B 65 -10.579 15.338 -9.766 1.00 1.51 H new ATOM 0 HA VAL B 65 -11.188 17.470 -11.515 1.00 1.49 H new ATOM 0 HB VAL B 65 -8.922 17.886 -11.622 1.00 1.62 H new ATOM 0 HG11 VAL B 65 -8.231 17.787 -9.189 1.00 3.00 H new ATOM 0 HG12 VAL B 65 -9.927 18.286 -9.391 1.00 3.00 H new ATOM 0 HG13 VAL B 65 -9.542 16.620 -8.899 1.00 3.00 H new ATOM 0 HG21 VAL B 65 -7.109 16.426 -10.798 1.00 2.53 H new ATOM 0 HG22 VAL B 65 -8.288 15.108 -10.602 1.00 2.53 H new ATOM 0 HG23 VAL B 65 -7.949 15.765 -12.220 1.00 2.53 H new ATOM 2678 N ASN B 66 -10.062 14.754 -13.025 1.00 1.34 N ATOM 2679 CA ASN B 66 -9.967 14.084 -14.329 1.00 1.35 C ATOM 2680 C ASN B 66 -10.052 12.573 -14.161 1.00 1.28 C ATOM 2681 O ASN B 66 -9.169 11.807 -14.560 1.00 1.24 O ATOM 2682 CB ASN B 66 -8.698 14.501 -15.106 1.00 1.37 C ATOM 2683 CG ASN B 66 -8.986 15.589 -16.135 1.00 1.59 C ATOM 2684 OD1 ASN B 66 -8.436 16.684 -16.064 1.00 2.80 O ATOM 2685 ND2 ASN B 66 -9.817 15.280 -17.125 1.00 2.05 N ATOM 0 H ASN B 66 -9.739 14.182 -12.245 1.00 1.34 H new ATOM 0 HA ASN B 66 -10.817 14.407 -14.930 1.00 1.35 H new ATOM 0 HB2 ASN B 66 -7.944 14.857 -14.404 1.00 1.37 H new ATOM 0 HB3 ASN B 66 -8.279 13.629 -15.609 1.00 1.37 H new ATOM 0 HD21 ASN B 66 -10.015 15.963 -17.857 1.00 2.05 H new ATOM 0 HD22 ASN B 66 -10.257 14.360 -17.153 1.00 2.05 H new ATOM 2692 N GLN B 67 -11.160 12.121 -13.579 1.00 1.31 N ATOM 2693 CA GLN B 67 -11.346 10.701 -13.360 1.00 1.26 C ATOM 2694 C GLN B 67 -11.433 9.873 -14.645 1.00 1.35 C ATOM 2695 O GLN B 67 -11.332 8.648 -14.605 1.00 1.40 O ATOM 2696 CB GLN B 67 -12.585 10.410 -12.538 1.00 1.37 C ATOM 2697 CG GLN B 67 -13.843 11.039 -13.155 1.00 1.52 C ATOM 2698 CD GLN B 67 -14.258 12.250 -12.346 1.00 2.96 C ATOM 2699 OE1 GLN B 67 -14.710 12.087 -11.217 1.00 3.82 O ATOM 2700 NE2 GLN B 67 -14.071 13.443 -12.901 1.00 3.91 N ATOM 0 H GLN B 67 -11.927 12.711 -13.257 1.00 1.31 H new ATOM 0 HA GLN B 67 -10.447 10.403 -12.820 1.00 1.26 H new ATOM 0 HB2 GLN B 67 -12.721 9.332 -12.456 1.00 1.37 H new ATOM 0 HB3 GLN B 67 -12.447 10.792 -11.526 1.00 1.37 H new ATOM 0 HG2 GLN B 67 -13.647 11.329 -14.187 1.00 1.52 H new ATOM 0 HG3 GLN B 67 -14.653 10.310 -13.177 1.00 1.52 H new ATOM 0 HE21 GLN B 67 -13.691 13.512 -13.845 1.00 3.91 H new ATOM 0 HE22 GLN B 67 -14.308 14.289 -12.383 1.00 3.91 H new ATOM 2709 N ASP B 68 -11.721 10.531 -15.763 1.00 1.51 N ATOM 2710 CA ASP B 68 -11.731 9.928 -17.080 1.00 1.62 C ATOM 2711 C ASP B 68 -10.394 9.252 -17.396 1.00 1.49 C ATOM 2712 O ASP B 68 -10.359 8.310 -18.186 1.00 1.66 O ATOM 2713 CB ASP B 68 -12.038 11.026 -18.107 1.00 1.76 C ATOM 2714 CG ASP B 68 -11.025 12.161 -18.023 1.00 3.49 C ATOM 2715 OD1 ASP B 68 -11.063 12.872 -16.990 1.00 4.77 O ATOM 2716 OD2 ASP B 68 -10.212 12.293 -18.958 1.00 4.43 O ATOM 0 H ASP B 68 -11.959 11.523 -15.773 1.00 1.51 H new ATOM 0 HA ASP B 68 -12.495 9.152 -17.118 1.00 1.62 H new ATOM 0 HB2 ASP B 68 -12.029 10.601 -19.111 1.00 1.76 H new ATOM 0 HB3 ASP B 68 -13.041 11.417 -17.936 1.00 1.76 H new ATOM 2721 N SER B 69 -9.299 9.716 -16.785 1.00 1.31 N ATOM 2722 CA SER B 69 -8.004 9.080 -16.963 1.00 1.24 C ATOM 2723 C SER B 69 -7.972 7.668 -16.355 1.00 1.39 C ATOM 2724 O SER B 69 -8.901 7.224 -15.674 1.00 2.68 O ATOM 2725 CB SER B 69 -6.907 9.972 -16.371 1.00 1.19 C ATOM 2726 OG SER B 69 -5.630 9.485 -16.750 1.00 1.88 O ATOM 0 H SER B 69 -9.291 10.527 -16.166 1.00 1.31 H new ATOM 0 HA SER B 69 -7.822 8.960 -18.031 1.00 1.24 H new ATOM 0 HB2 SER B 69 -7.033 10.997 -16.719 1.00 1.19 H new ATOM 0 HB3 SER B 69 -6.990 9.992 -15.284 1.00 1.19 H new ATOM 0 HG SER B 69 -4.934 10.061 -16.369 1.00 1.88 H new ATOM 2732 N GLU B 70 -6.838 6.997 -16.568 1.00 0.91 N ATOM 2733 CA GLU B 70 -6.485 5.756 -15.893 1.00 0.84 C ATOM 2734 C GLU B 70 -5.402 6.030 -14.867 1.00 0.93 C ATOM 2735 O GLU B 70 -4.559 6.907 -15.052 1.00 1.30 O ATOM 2736 CB GLU B 70 -6.048 4.636 -16.856 1.00 0.92 C ATOM 2737 CG GLU B 70 -7.257 3.802 -17.290 1.00 1.81 C ATOM 2738 CD GLU B 70 -6.876 2.485 -17.952 1.00 2.68 C ATOM 2739 OE1 GLU B 70 -6.082 2.480 -18.922 1.00 2.45 O ATOM 2740 OE2 GLU B 70 -7.365 1.428 -17.495 1.00 4.22 O ATOM 0 H GLU B 70 -6.128 7.312 -17.229 1.00 0.91 H new ATOM 0 HA GLU B 70 -7.386 5.391 -15.401 1.00 0.84 H new ATOM 0 HB2 GLU B 70 -5.564 5.069 -17.731 1.00 0.92 H new ATOM 0 HB3 GLU B 70 -5.313 3.996 -16.369 1.00 0.92 H new ATOM 0 HG2 GLU B 70 -7.879 3.596 -16.419 1.00 1.81 H new ATOM 0 HG3 GLU B 70 -7.863 4.387 -17.983 1.00 1.81 H new ATOM 2747 N LEU B 71 -5.434 5.235 -13.803 1.00 0.97 N ATOM 2748 CA LEU B 71 -4.452 5.301 -12.737 1.00 1.09 C ATOM 2749 C LEU B 71 -3.229 4.484 -13.132 1.00 1.06 C ATOM 2750 O LEU B 71 -3.298 3.642 -14.029 1.00 1.08 O ATOM 2751 CB LEU B 71 -5.037 4.709 -11.448 1.00 1.32 C ATOM 2752 CG LEU B 71 -6.133 5.573 -10.825 1.00 1.84 C ATOM 2753 CD1 LEU B 71 -6.883 4.732 -9.790 1.00 1.80 C ATOM 2754 CD2 LEU B 71 -5.554 6.816 -10.140 1.00 3.43 C ATOM 0 H LEU B 71 -6.149 4.522 -13.659 1.00 0.97 H new ATOM 0 HA LEU B 71 -4.177 6.343 -12.571 1.00 1.09 H new ATOM 0 HB2 LEU B 71 -5.442 3.720 -11.663 1.00 1.32 H new ATOM 0 HB3 LEU B 71 -4.235 4.574 -10.722 1.00 1.32 H new ATOM 0 HG LEU B 71 -6.802 5.909 -11.617 1.00 1.84 H new ATOM 0 HD11 LEU B 71 -7.670 5.333 -9.334 1.00 1.80 H new ATOM 0 HD12 LEU B 71 -7.326 3.864 -10.278 1.00 1.80 H new ATOM 0 HD13 LEU B 71 -6.188 4.399 -9.019 1.00 1.80 H new ATOM 0 HD21 LEU B 71 -6.364 7.405 -9.709 1.00 3.43 H new ATOM 0 HD22 LEU B 71 -4.868 6.510 -9.350 1.00 3.43 H new ATOM 0 HD23 LEU B 71 -5.017 7.419 -10.873 1.00 3.43 H new ATOM 2766 N LYS B 72 -2.129 4.693 -12.415 1.00 1.06 N ATOM 2767 CA LYS B 72 -0.999 3.784 -12.378 1.00 0.93 C ATOM 2768 C LYS B 72 -0.752 3.302 -10.950 1.00 0.79 C ATOM 2769 O LYS B 72 -1.271 3.887 -9.994 1.00 0.74 O ATOM 2770 CB LYS B 72 0.243 4.446 -12.993 1.00 1.04 C ATOM 2771 CG LYS B 72 0.023 4.710 -14.489 1.00 1.26 C ATOM 2772 CD LYS B 72 -0.552 6.104 -14.791 1.00 1.70 C ATOM 2773 CE LYS B 72 -1.577 6.063 -15.931 1.00 2.39 C ATOM 2774 NZ LYS B 72 -1.056 5.387 -17.135 1.00 3.08 N ATOM 0 H LYS B 72 -2.000 5.520 -11.832 1.00 1.06 H new ATOM 0 HA LYS B 72 -1.226 2.905 -12.981 1.00 0.93 H new ATOM 0 HB2 LYS B 72 0.455 5.384 -12.479 1.00 1.04 H new ATOM 0 HB3 LYS B 72 1.112 3.803 -12.855 1.00 1.04 H new ATOM 0 HG2 LYS B 72 0.972 4.597 -15.013 1.00 1.26 H new ATOM 0 HG3 LYS B 72 -0.653 3.953 -14.887 1.00 1.26 H new ATOM 0 HD2 LYS B 72 -1.023 6.505 -13.893 1.00 1.70 H new ATOM 0 HD3 LYS B 72 0.259 6.782 -15.056 1.00 1.70 H new ATOM 0 HE2 LYS B 72 -2.475 5.549 -15.589 1.00 2.39 H new ATOM 0 HE3 LYS B 72 -1.871 7.081 -16.188 1.00 2.39 H new ATOM 0 HZ1 LYS B 72 -1.669 5.602 -17.947 1.00 3.08 H new ATOM 0 HZ2 LYS B 72 -0.091 5.722 -17.331 1.00 3.08 H new ATOM 0 HZ3 LYS B 72 -1.040 4.359 -16.976 1.00 3.08 H new ATOM 2788 N PHE B 73 0.039 2.230 -10.816 1.00 0.81 N ATOM 2789 CA PHE B 73 0.383 1.588 -9.548 1.00 0.81 C ATOM 2790 C PHE B 73 0.639 2.602 -8.430 1.00 0.69 C ATOM 2791 O PHE B 73 0.134 2.429 -7.323 1.00 0.62 O ATOM 2792 CB PHE B 73 1.539 0.576 -9.714 1.00 1.05 C ATOM 2793 CG PHE B 73 2.674 1.029 -10.617 1.00 1.31 C ATOM 2794 CD1 PHE B 73 3.498 2.099 -10.228 1.00 2.83 C ATOM 2795 CD2 PHE B 73 2.718 0.581 -11.950 1.00 2.11 C ATOM 2796 CE1 PHE B 73 4.094 2.905 -11.212 1.00 3.73 C ATOM 2797 CE2 PHE B 73 3.383 1.340 -12.926 1.00 2.83 C ATOM 2798 CZ PHE B 73 4.036 2.528 -12.563 1.00 3.36 C ATOM 0 H PHE B 73 0.471 1.772 -11.619 1.00 0.81 H new ATOM 0 HA PHE B 73 -0.490 1.015 -9.235 1.00 0.81 H new ATOM 0 HB2 PHE B 73 1.948 0.352 -8.729 1.00 1.05 H new ATOM 0 HB3 PHE B 73 1.131 -0.354 -10.109 1.00 1.05 H new ATOM 0 HD1 PHE B 73 3.672 2.300 -9.181 1.00 2.83 H new ATOM 0 HD2 PHE B 73 2.240 -0.348 -12.223 1.00 2.11 H new ATOM 0 HE1 PHE B 73 4.598 3.817 -10.928 1.00 3.73 H new ATOM 0 HE2 PHE B 73 3.392 1.010 -13.954 1.00 2.83 H new ATOM 0 HZ PHE B 73 4.492 3.149 -13.320 1.00 3.36 H new ATOM 2808 N ASN B 74 1.398 3.667 -8.705 1.00 0.77 N ATOM 2809 CA ASN B 74 1.760 4.651 -7.691 1.00 0.78 C ATOM 2810 C ASN B 74 0.527 5.356 -7.123 1.00 0.64 C ATOM 2811 O ASN B 74 0.384 5.524 -5.911 1.00 0.69 O ATOM 2812 CB ASN B 74 2.713 5.708 -8.265 1.00 1.04 C ATOM 2813 CG ASN B 74 3.173 6.592 -7.115 1.00 1.79 C ATOM 2814 OD1 ASN B 74 2.678 7.695 -6.893 1.00 2.70 O ATOM 2815 ND2 ASN B 74 4.109 6.074 -6.336 1.00 3.32 N ATOM 0 H ASN B 74 1.775 3.867 -9.632 1.00 0.77 H new ATOM 0 HA ASN B 74 2.258 4.105 -6.889 1.00 0.78 H new ATOM 0 HB2 ASN B 74 3.567 5.231 -8.746 1.00 1.04 H new ATOM 0 HB3 ASN B 74 2.209 6.303 -9.027 1.00 1.04 H new ATOM 0 HD21 ASN B 74 4.441 6.593 -5.523 1.00 3.32 H new ATOM 0 HD22 ASN B 74 4.499 5.156 -6.549 1.00 3.32 H new ATOM 2822 N GLU B 75 -0.345 5.799 -8.025 1.00 0.61 N ATOM 2823 CA GLU B 75 -1.518 6.586 -7.704 1.00 0.58 C ATOM 2824 C GLU B 75 -2.520 5.681 -6.998 1.00 0.53 C ATOM 2825 O GLU B 75 -3.009 6.018 -5.923 1.00 0.61 O ATOM 2826 CB GLU B 75 -2.101 7.157 -8.997 1.00 0.69 C ATOM 2827 CG GLU B 75 -1.077 7.997 -9.778 1.00 1.22 C ATOM 2828 CD GLU B 75 -1.573 8.268 -11.187 1.00 2.14 C ATOM 2829 OE1 GLU B 75 -2.005 7.277 -11.811 1.00 3.20 O ATOM 2830 OE2 GLU B 75 -1.501 9.438 -11.614 1.00 3.06 O ATOM 0 H GLU B 75 -0.247 5.612 -9.023 1.00 0.61 H new ATOM 0 HA GLU B 75 -1.268 7.418 -7.046 1.00 0.58 H new ATOM 0 HB2 GLU B 75 -2.453 6.340 -9.626 1.00 0.69 H new ATOM 0 HB3 GLU B 75 -2.968 7.773 -8.761 1.00 0.69 H new ATOM 0 HG2 GLU B 75 -0.902 8.940 -9.261 1.00 1.22 H new ATOM 0 HG3 GLU B 75 -0.122 7.473 -9.817 1.00 1.22 H new ATOM 2837 N TYR B 76 -2.774 4.503 -7.583 1.00 0.54 N ATOM 2838 CA TYR B 76 -3.503 3.431 -6.914 1.00 0.63 C ATOM 2839 C TYR B 76 -3.017 3.305 -5.473 1.00 0.59 C ATOM 2840 O TYR B 76 -3.828 3.251 -4.549 1.00 0.66 O ATOM 2841 CB TYR B 76 -3.305 2.118 -7.678 1.00 0.79 C ATOM 2842 CG TYR B 76 -3.690 0.858 -6.918 1.00 1.10 C ATOM 2843 CD1 TYR B 76 -2.788 0.297 -5.990 1.00 1.98 C ATOM 2844 CD2 TYR B 76 -4.836 0.131 -7.285 1.00 1.83 C ATOM 2845 CE1 TYR B 76 -3.108 -0.893 -5.322 1.00 2.26 C ATOM 2846 CE2 TYR B 76 -5.084 -1.130 -6.710 1.00 2.14 C ATOM 2847 CZ TYR B 76 -4.242 -1.623 -5.703 1.00 1.90 C ATOM 2848 OH TYR B 76 -4.536 -2.804 -5.091 1.00 2.29 O ATOM 0 H TYR B 76 -2.478 4.272 -8.531 1.00 0.54 H new ATOM 0 HA TYR B 76 -4.568 3.661 -6.899 1.00 0.63 H new ATOM 0 HB2 TYR B 76 -3.889 2.160 -8.597 1.00 0.79 H new ATOM 0 HB3 TYR B 76 -2.257 2.041 -7.969 1.00 0.79 H new ATOM 0 HD1 TYR B 76 -1.846 0.787 -5.793 1.00 1.98 H new ATOM 0 HD2 TYR B 76 -5.526 0.540 -8.008 1.00 1.83 H new ATOM 0 HE1 TYR B 76 -2.482 -1.246 -4.516 1.00 2.26 H new ATOM 0 HE2 TYR B 76 -5.925 -1.719 -7.045 1.00 2.14 H new ATOM 0 HH TYR B 76 -4.208 -2.785 -4.168 1.00 2.29 H new ATOM 2858 N TRP B 77 -1.692 3.261 -5.288 1.00 0.55 N ATOM 2859 CA TRP B 77 -1.101 3.102 -3.980 1.00 0.52 C ATOM 2860 C TRP B 77 -1.615 4.171 -3.023 1.00 0.51 C ATOM 2861 O TRP B 77 -2.364 3.850 -2.104 1.00 0.54 O ATOM 2862 CB TRP B 77 0.426 3.090 -4.079 1.00 0.52 C ATOM 2863 CG TRP B 77 1.015 2.084 -3.178 1.00 0.46 C ATOM 2864 CD1 TRP B 77 1.304 2.313 -1.891 1.00 0.44 C ATOM 2865 CD2 TRP B 77 1.440 0.725 -3.461 1.00 0.47 C ATOM 2866 NE1 TRP B 77 1.757 1.158 -1.317 1.00 0.42 N ATOM 2867 CE2 TRP B 77 1.914 0.157 -2.245 1.00 0.44 C ATOM 2868 CE3 TRP B 77 1.552 -0.059 -4.626 1.00 0.56 C ATOM 2869 CZ2 TRP B 77 2.441 -1.135 -2.177 1.00 0.52 C ATOM 2870 CZ3 TRP B 77 2.144 -1.330 -4.564 1.00 0.61 C ATOM 2871 CH2 TRP B 77 2.521 -1.893 -3.347 1.00 0.61 C ATOM 0 H TRP B 77 -1.013 3.335 -6.046 1.00 0.55 H new ATOM 0 HA TRP B 77 -1.402 2.138 -3.569 1.00 0.52 H new ATOM 0 HB2 TRP B 77 0.724 2.880 -5.106 1.00 0.52 H new ATOM 0 HB3 TRP B 77 0.816 4.077 -3.830 1.00 0.52 H new ATOM 0 HD1 TRP B 77 1.196 3.261 -1.386 1.00 0.44 H new ATOM 0 HE1 TRP B 77 1.954 1.052 -0.322 1.00 0.42 H new ATOM 0 HE3 TRP B 77 1.182 0.318 -5.568 1.00 0.56 H new ATOM 0 HZ2 TRP B 77 2.781 -1.541 -1.236 1.00 0.52 H new ATOM 0 HZ3 TRP B 77 2.310 -1.882 -5.477 1.00 0.61 H new ATOM 0 HH2 TRP B 77 2.874 -2.913 -3.308 1.00 0.61 H new ATOM 2882 N ARG B 78 -1.237 5.433 -3.256 1.00 0.50 N ATOM 2883 CA ARG B 78 -1.741 6.584 -2.523 1.00 0.54 C ATOM 2884 C ARG B 78 -3.247 6.437 -2.229 1.00 0.59 C ATOM 2885 O ARG B 78 -3.664 6.497 -1.074 1.00 0.67 O ATOM 2886 CB ARG B 78 -1.484 7.853 -3.365 1.00 0.69 C ATOM 2887 CG ARG B 78 0.012 8.135 -3.581 1.00 1.41 C ATOM 2888 CD ARG B 78 0.295 9.358 -4.468 1.00 1.33 C ATOM 2889 NE ARG B 78 1.316 10.236 -3.861 1.00 2.75 N ATOM 2890 CZ ARG B 78 2.653 10.095 -3.918 1.00 4.05 C ATOM 2891 NH1 ARG B 78 3.251 9.228 -4.735 1.00 4.45 N ATOM 2892 NH2 ARG B 78 3.438 10.837 -3.132 1.00 5.64 N ATOM 0 H ARG B 78 -0.558 5.680 -3.976 1.00 0.50 H new ATOM 0 HA ARG B 78 -1.224 6.656 -1.566 1.00 0.54 H new ATOM 0 HB2 ARG B 78 -1.972 7.745 -4.334 1.00 0.69 H new ATOM 0 HB3 ARG B 78 -1.942 8.710 -2.871 1.00 0.69 H new ATOM 0 HG2 ARG B 78 0.487 8.284 -2.611 1.00 1.41 H new ATOM 0 HG3 ARG B 78 0.476 7.257 -4.031 1.00 1.41 H new ATOM 0 HD2 ARG B 78 0.634 9.027 -5.450 1.00 1.33 H new ATOM 0 HD3 ARG B 78 -0.626 9.920 -4.621 1.00 1.33 H new ATOM 0 HE ARG B 78 0.968 11.041 -3.339 1.00 2.75 H new ATOM 0 HH11 ARG B 78 2.691 8.638 -5.350 1.00 4.45 H new ATOM 0 HH12 ARG B 78 4.268 9.155 -4.745 1.00 4.45 H new ATOM 0 HH21 ARG B 78 3.024 11.511 -2.488 1.00 5.64 H new ATOM 0 HH22 ARG B 78 4.451 10.729 -3.176 1.00 5.64 H new ATOM 2906 N LEU B 79 -4.046 6.167 -3.266 1.00 0.61 N ATOM 2907 CA LEU B 79 -5.490 5.994 -3.151 1.00 0.73 C ATOM 2908 C LEU B 79 -5.879 4.935 -2.109 1.00 0.68 C ATOM 2909 O LEU B 79 -6.674 5.230 -1.215 1.00 0.68 O ATOM 2910 CB LEU B 79 -6.104 5.730 -4.536 1.00 0.90 C ATOM 2911 CG LEU B 79 -6.452 7.009 -5.326 1.00 1.05 C ATOM 2912 CD1 LEU B 79 -5.431 8.156 -5.279 1.00 1.17 C ATOM 2913 CD2 LEU B 79 -6.717 6.639 -6.786 1.00 1.46 C ATOM 0 H LEU B 79 -3.700 6.062 -4.220 1.00 0.61 H new ATOM 0 HA LEU B 79 -5.913 6.925 -2.774 1.00 0.73 H new ATOM 0 HB2 LEU B 79 -5.406 5.132 -5.123 1.00 0.90 H new ATOM 0 HB3 LEU B 79 -7.009 5.135 -4.413 1.00 0.90 H new ATOM 0 HG LEU B 79 -7.332 7.407 -4.820 1.00 1.05 H new ATOM 0 HD11 LEU B 79 -5.796 8.993 -5.874 1.00 1.17 H new ATOM 0 HD12 LEU B 79 -5.292 8.478 -4.247 1.00 1.17 H new ATOM 0 HD13 LEU B 79 -4.479 7.812 -5.683 1.00 1.17 H new ATOM 0 HD21 LEU B 79 -6.964 7.538 -7.350 1.00 1.46 H new ATOM 0 HD22 LEU B 79 -5.826 6.176 -7.212 1.00 1.46 H new ATOM 0 HD23 LEU B 79 -7.550 5.938 -6.838 1.00 1.46 H new ATOM 2925 N ILE B 80 -5.371 3.697 -2.177 1.00 0.64 N ATOM 2926 CA ILE B 80 -5.712 2.753 -1.106 1.00 0.58 C ATOM 2927 C ILE B 80 -5.103 3.208 0.231 1.00 0.54 C ATOM 2928 O ILE B 80 -5.646 2.920 1.292 1.00 0.54 O ATOM 2929 CB ILE B 80 -5.441 1.274 -1.438 1.00 0.56 C ATOM 2930 CG1 ILE B 80 -4.015 0.856 -1.074 1.00 0.59 C ATOM 2931 CG2 ILE B 80 -5.767 0.951 -2.888 1.00 0.68 C ATOM 2932 CD1 ILE B 80 -3.695 -0.627 -1.253 1.00 0.54 C ATOM 0 H ILE B 80 -4.761 3.341 -2.913 1.00 0.64 H new ATOM 0 HA ILE B 80 -6.797 2.782 -1.004 1.00 0.58 H new ATOM 0 HB ILE B 80 -6.114 0.684 -0.817 1.00 0.56 H new ATOM 0 HG12 ILE B 80 -3.320 1.435 -1.682 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -3.831 1.126 -0.034 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -5.562 -0.102 -3.081 1.00 0.68 H new ATOM 0 HG22 ILE B 80 -6.820 1.156 -3.079 1.00 0.68 H new ATOM 0 HG23 ILE B 80 -5.153 1.567 -3.545 1.00 0.68 H new ATOM 0 HD11 ILE B 80 -2.660 -0.813 -0.967 1.00 0.54 H new ATOM 0 HD12 ILE B 80 -4.358 -1.221 -0.624 1.00 0.54 H new ATOM 0 HD13 ILE B 80 -3.839 -0.907 -2.297 1.00 0.54 H new ATOM 2944 N GLY B 81 -3.979 3.924 0.190 1.00 0.55 N ATOM 2945 CA GLY B 81 -3.409 4.599 1.346 1.00 0.58 C ATOM 2946 C GLY B 81 -4.436 5.460 2.077 1.00 0.57 C ATOM 2947 O GLY B 81 -4.582 5.339 3.295 1.00 0.62 O ATOM 0 H GLY B 81 -3.434 4.050 -0.663 1.00 0.55 H new ATOM 0 HA2 GLY B 81 -3.004 3.857 2.034 1.00 0.58 H new ATOM 0 HA3 GLY B 81 -2.576 5.224 1.025 1.00 0.58 H new ATOM 2951 N GLU B 82 -5.174 6.307 1.352 1.00 0.55 N ATOM 2952 CA GLU B 82 -6.315 7.011 1.925 1.00 0.61 C ATOM 2953 C GLU B 82 -7.262 6.010 2.610 1.00 0.63 C ATOM 2954 O GLU B 82 -7.624 6.190 3.778 1.00 0.70 O ATOM 2955 CB GLU B 82 -7.055 7.832 0.854 1.00 0.87 C ATOM 2956 CG GLU B 82 -6.460 9.220 0.573 1.00 1.15 C ATOM 2957 CD GLU B 82 -5.304 9.217 -0.417 1.00 1.79 C ATOM 2958 OE1 GLU B 82 -5.588 9.015 -1.615 1.00 2.84 O ATOM 2959 OE2 GLU B 82 -4.163 9.473 0.028 1.00 2.70 O ATOM 0 H GLU B 82 -4.998 6.518 0.370 1.00 0.55 H new ATOM 0 HA GLU B 82 -5.949 7.711 2.676 1.00 0.61 H new ATOM 0 HB2 GLU B 82 -7.065 7.263 -0.076 1.00 0.87 H new ATOM 0 HB3 GLU B 82 -8.093 7.954 1.164 1.00 0.87 H new ATOM 0 HG2 GLU B 82 -7.248 9.870 0.192 1.00 1.15 H new ATOM 0 HG3 GLU B 82 -6.117 9.652 1.513 1.00 1.15 H new ATOM 2966 N LEU B 83 -7.657 4.948 1.896 1.00 0.63 N ATOM 2967 CA LEU B 83 -8.558 3.937 2.450 1.00 0.73 C ATOM 2968 C LEU B 83 -8.036 3.351 3.766 1.00 0.82 C ATOM 2969 O LEU B 83 -8.812 3.150 4.699 1.00 1.03 O ATOM 2970 CB LEU B 83 -8.885 2.801 1.468 1.00 0.78 C ATOM 2971 CG LEU B 83 -10.090 3.041 0.545 1.00 1.10 C ATOM 2972 CD1 LEU B 83 -11.387 3.345 1.306 1.00 2.16 C ATOM 2973 CD2 LEU B 83 -9.828 4.148 -0.465 1.00 2.77 C ATOM 0 H LEU B 83 -7.366 4.769 0.935 1.00 0.63 H new ATOM 0 HA LEU B 83 -9.486 4.474 2.648 1.00 0.73 H new ATOM 0 HB2 LEU B 83 -8.007 2.618 0.848 1.00 0.78 H new ATOM 0 HB3 LEU B 83 -9.066 1.892 2.041 1.00 0.78 H new ATOM 0 HG LEU B 83 -10.226 2.098 0.015 1.00 1.10 H new ATOM 0 HD11 LEU B 83 -12.197 3.504 0.595 1.00 2.16 H new ATOM 0 HD12 LEU B 83 -11.634 2.505 1.955 1.00 2.16 H new ATOM 0 HD13 LEU B 83 -11.253 4.243 1.910 1.00 2.16 H new ATOM 0 HD21 LEU B 83 -10.707 4.281 -1.095 1.00 2.77 H new ATOM 0 HD22 LEU B 83 -9.615 5.078 0.062 1.00 2.77 H new ATOM 0 HD23 LEU B 83 -8.974 3.879 -1.086 1.00 2.77 H new ATOM 2985 N ALA B 84 -6.734 3.062 3.855 1.00 0.76 N ATOM 2986 CA ALA B 84 -6.130 2.522 5.063 1.00 0.96 C ATOM 2987 C ALA B 84 -6.489 3.328 6.316 1.00 1.08 C ATOM 2988 O ALA B 84 -6.701 2.740 7.375 1.00 1.31 O ATOM 2989 CB ALA B 84 -4.616 2.442 4.894 1.00 0.91 C ATOM 0 H ALA B 84 -6.075 3.198 3.089 1.00 0.76 H new ATOM 0 HA ALA B 84 -6.536 1.521 5.210 1.00 0.96 H new ATOM 0 HB1 ALA B 84 -4.169 2.037 5.802 1.00 0.91 H new ATOM 0 HB2 ALA B 84 -4.378 1.793 4.052 1.00 0.91 H new ATOM 0 HB3 ALA B 84 -4.218 3.439 4.708 1.00 0.91 H new ATOM 2995 N LYS B 85 -6.531 4.661 6.210 1.00 1.03 N ATOM 2996 CA LYS B 85 -6.965 5.513 7.311 1.00 1.28 C ATOM 2997 C LYS B 85 -8.482 5.576 7.419 1.00 1.35 C ATOM 2998 O LYS B 85 -9.002 5.514 8.532 1.00 1.63 O ATOM 2999 CB LYS B 85 -6.407 6.927 7.158 1.00 1.41 C ATOM 3000 CG LYS B 85 -4.950 6.977 7.617 1.00 2.59 C ATOM 3001 CD LYS B 85 -4.569 8.450 7.784 1.00 2.95 C ATOM 3002 CE LYS B 85 -3.189 8.637 8.446 1.00 4.40 C ATOM 3003 NZ LYS B 85 -3.113 8.069 9.814 1.00 6.45 N ATOM 0 H LYS B 85 -6.267 5.170 5.366 1.00 1.03 H new ATOM 0 HA LYS B 85 -6.576 5.067 8.226 1.00 1.28 H new ATOM 0 HB2 LYS B 85 -6.478 7.242 6.117 1.00 1.41 H new ATOM 0 HB3 LYS B 85 -7.004 7.626 7.744 1.00 1.41 H new ATOM 0 HG2 LYS B 85 -4.826 6.440 8.558 1.00 2.59 H new ATOM 0 HG3 LYS B 85 -4.301 6.494 6.886 1.00 2.59 H new ATOM 0 HD2 LYS B 85 -4.567 8.933 6.807 1.00 2.95 H new ATOM 0 HD3 LYS B 85 -5.327 8.951 8.386 1.00 2.95 H new ATOM 0 HE2 LYS B 85 -2.428 8.168 7.822 1.00 4.40 H new ATOM 0 HE3 LYS B 85 -2.955 9.701 8.488 1.00 4.40 H new ATOM 0 HZ1 LYS B 85 -2.901 8.827 10.493 1.00 6.45 H new ATOM 0 HZ2 LYS B 85 -4.023 7.630 10.059 1.00 6.45 H new ATOM 0 HZ3 LYS B 85 -2.362 7.351 9.851 1.00 6.45 H new ATOM 3017 N GLU B 86 -9.150 5.741 6.273 1.00 1.14 N ATOM 3018 CA GLU B 86 -10.608 5.785 6.138 1.00 1.16 C ATOM 3019 C GLU B 86 -11.268 4.775 7.090 1.00 1.15 C ATOM 3020 O GLU B 86 -11.722 5.151 8.168 1.00 1.23 O ATOM 3021 CB GLU B 86 -10.963 5.588 4.651 1.00 1.22 C ATOM 3022 CG GLU B 86 -12.412 5.869 4.251 1.00 2.37 C ATOM 3023 CD GLU B 86 -13.339 4.720 4.621 1.00 4.55 C ATOM 3024 OE1 GLU B 86 -13.318 3.715 3.885 1.00 5.30 O ATOM 3025 OE2 GLU B 86 -14.024 4.849 5.657 1.00 6.02 O ATOM 0 H GLU B 86 -8.670 5.852 5.380 1.00 1.14 H new ATOM 0 HA GLU B 86 -11.007 6.754 6.439 1.00 1.16 H new ATOM 0 HB2 GLU B 86 -10.314 6.232 4.057 1.00 1.22 H new ATOM 0 HB3 GLU B 86 -10.727 4.560 4.378 1.00 1.22 H new ATOM 0 HG2 GLU B 86 -12.753 6.782 4.740 1.00 2.37 H new ATOM 0 HG3 GLU B 86 -12.464 6.045 3.177 1.00 2.37 H new ATOM 3032 N ILE B 87 -11.270 3.494 6.736 1.00 1.12 N ATOM 3033 CA ILE B 87 -12.058 2.458 7.376 1.00 1.11 C ATOM 3034 C ILE B 87 -11.346 2.009 8.661 1.00 1.26 C ATOM 3035 O ILE B 87 -10.284 1.391 8.644 1.00 1.35 O ATOM 3036 CB ILE B 87 -12.326 1.344 6.339 1.00 1.09 C ATOM 3037 CG1 ILE B 87 -13.518 0.437 6.677 1.00 1.39 C ATOM 3038 CG2 ILE B 87 -11.104 0.494 5.978 1.00 1.35 C ATOM 3039 CD1 ILE B 87 -13.443 -0.207 8.060 1.00 2.00 C ATOM 0 H ILE B 87 -10.701 3.141 5.967 1.00 1.12 H new ATOM 0 HA ILE B 87 -13.038 2.809 7.700 1.00 1.11 H new ATOM 0 HB ILE B 87 -12.590 1.919 5.451 1.00 1.09 H new ATOM 0 HG12 ILE B 87 -14.435 1.022 6.610 1.00 1.39 H new ATOM 0 HG13 ILE B 87 -13.586 -0.350 5.926 1.00 1.39 H new ATOM 0 HG21 ILE B 87 -11.389 -0.260 5.245 1.00 1.35 H new ATOM 0 HG22 ILE B 87 -10.327 1.133 5.558 1.00 1.35 H new ATOM 0 HG23 ILE B 87 -10.724 0.003 6.874 1.00 1.35 H new ATOM 0 HD11 ILE B 87 -14.322 -0.831 8.219 1.00 2.00 H new ATOM 0 HD12 ILE B 87 -12.545 -0.821 8.127 1.00 2.00 H new ATOM 0 HD13 ILE B 87 -13.408 0.571 8.822 1.00 2.00 H new ATOM 3051 N ARG B 88 -11.928 2.361 9.809 1.00 1.39 N ATOM 3052 CA ARG B 88 -11.252 2.311 11.097 1.00 1.49 C ATOM 3053 C ARG B 88 -11.262 0.893 11.678 1.00 1.46 C ATOM 3054 O ARG B 88 -12.033 0.588 12.585 1.00 1.72 O ATOM 3055 CB ARG B 88 -11.881 3.333 12.055 1.00 1.73 C ATOM 3056 CG ARG B 88 -11.793 4.753 11.474 1.00 2.19 C ATOM 3057 CD ARG B 88 -12.273 5.820 12.466 1.00 2.74 C ATOM 3058 NE ARG B 88 -11.457 5.872 13.691 1.00 3.42 N ATOM 3059 CZ ARG B 88 -10.239 6.429 13.794 1.00 3.97 C ATOM 3060 NH1 ARG B 88 -9.631 6.915 12.706 1.00 4.17 N ATOM 3061 NH2 ARG B 88 -9.635 6.496 14.987 1.00 5.19 N ATOM 0 H ARG B 88 -12.891 2.691 9.866 1.00 1.39 H new ATOM 0 HA ARG B 88 -10.205 2.579 10.957 1.00 1.49 H new ATOM 0 HB2 ARG B 88 -12.924 3.074 12.237 1.00 1.73 H new ATOM 0 HB3 ARG B 88 -11.371 3.297 13.018 1.00 1.73 H new ATOM 0 HG2 ARG B 88 -10.762 4.963 11.189 1.00 2.19 H new ATOM 0 HG3 ARG B 88 -12.393 4.809 10.566 1.00 2.19 H new ATOM 0 HD2 ARG B 88 -12.253 6.796 11.980 1.00 2.74 H new ATOM 0 HD3 ARG B 88 -13.310 5.619 12.735 1.00 2.74 H new ATOM 0 HE ARG B 88 -11.850 5.449 14.532 1.00 3.42 H new ATOM 0 HH11 ARG B 88 -10.092 6.863 11.798 1.00 4.17 H new ATOM 0 HH12 ARG B 88 -8.706 7.338 12.785 1.00 4.17 H new ATOM 0 HH21 ARG B 88 -10.100 6.124 15.815 1.00 5.19 H new ATOM 0 HH22 ARG B 88 -8.710 6.919 15.067 1.00 5.19 H new ATOM 3075 N LYS B 89 -10.351 0.060 11.170 1.00 1.33 N ATOM 3076 CA LYS B 89 -10.046 -1.302 11.605 1.00 1.36 C ATOM 3077 C LYS B 89 -10.032 -1.518 13.124 1.00 1.69 C ATOM 3078 O LYS B 89 -10.516 -2.533 13.623 1.00 1.75 O ATOM 3079 CB LYS B 89 -8.655 -1.671 11.079 1.00 1.95 C ATOM 3080 CG LYS B 89 -8.586 -1.757 9.553 1.00 1.37 C ATOM 3081 CD LYS B 89 -7.769 -0.614 8.920 1.00 1.78 C ATOM 3082 CE LYS B 89 -7.767 -0.724 7.389 1.00 2.10 C ATOM 3083 NZ LYS B 89 -7.225 -2.013 6.923 1.00 2.98 N ATOM 0 H LYS B 89 -9.764 0.343 10.385 1.00 1.33 H new ATOM 0 HA LYS B 89 -10.848 -1.925 11.210 1.00 1.36 H new ATOM 0 HB2 LYS B 89 -7.935 -0.930 11.427 1.00 1.95 H new ATOM 0 HB3 LYS B 89 -8.357 -2.630 11.503 1.00 1.95 H new ATOM 0 HG2 LYS B 89 -8.145 -2.712 9.268 1.00 1.37 H new ATOM 0 HG3 LYS B 89 -9.598 -1.740 9.148 1.00 1.37 H new ATOM 0 HD2 LYS B 89 -8.188 0.347 9.219 1.00 1.78 H new ATOM 0 HD3 LYS B 89 -6.745 -0.644 9.292 1.00 1.78 H new ATOM 0 HE2 LYS B 89 -8.784 -0.604 7.017 1.00 2.10 H new ATOM 0 HE3 LYS B 89 -7.176 0.090 6.969 1.00 2.10 H new ATOM 0 HZ1 LYS B 89 -7.636 -2.248 5.997 1.00 2.98 H new ATOM 0 HZ2 LYS B 89 -6.191 -1.943 6.835 1.00 2.98 H new ATOM 0 HZ3 LYS B 89 -7.465 -2.758 7.607 1.00 2.98 H new ATOM 3097 N LYS B 90 -9.373 -0.613 13.853 1.00 2.08 N ATOM 3098 CA LYS B 90 -9.006 -0.790 15.254 1.00 2.61 C ATOM 3099 C LYS B 90 -7.943 -1.894 15.383 1.00 1.91 C ATOM 3100 O LYS B 90 -6.749 -1.607 15.494 1.00 2.30 O ATOM 3101 CB LYS B 90 -10.224 -1.061 16.171 1.00 4.40 C ATOM 3102 CG LYS B 90 -11.430 -0.136 15.946 1.00 5.41 C ATOM 3103 CD LYS B 90 -12.698 -0.792 16.515 1.00 7.29 C ATOM 3104 CE LYS B 90 -13.953 0.001 16.125 1.00 8.45 C ATOM 3105 NZ LYS B 90 -15.193 -0.705 16.514 1.00 10.09 N ATOM 0 H LYS B 90 -9.074 0.285 13.472 1.00 2.08 H new ATOM 0 HA LYS B 90 -8.582 0.152 15.601 1.00 2.61 H new ATOM 0 HB2 LYS B 90 -10.545 -2.092 16.026 1.00 4.40 H new ATOM 0 HB3 LYS B 90 -9.905 -0.969 17.209 1.00 4.40 H new ATOM 0 HG2 LYS B 90 -11.258 0.826 16.429 1.00 5.41 H new ATOM 0 HG3 LYS B 90 -11.557 0.060 14.881 1.00 5.41 H new ATOM 0 HD2 LYS B 90 -12.780 -1.814 16.145 1.00 7.29 H new ATOM 0 HD3 LYS B 90 -12.624 -0.851 17.601 1.00 7.29 H new ATOM 0 HE2 LYS B 90 -13.927 0.980 16.603 1.00 8.45 H new ATOM 0 HE3 LYS B 90 -13.955 0.172 15.048 1.00 8.45 H new ATOM 0 HZ1 LYS B 90 -16.018 -0.137 16.234 1.00 10.09 H new ATOM 0 HZ2 LYS B 90 -15.230 -1.629 16.038 1.00 10.09 H new ATOM 0 HZ3 LYS B 90 -15.204 -0.846 17.544 1.00 10.09 H new ATOM 3119 N LYS B 91 -8.379 -3.157 15.389 1.00 2.05 N ATOM 3120 CA LYS B 91 -7.617 -4.279 15.929 1.00 2.90 C ATOM 3121 C LYS B 91 -8.251 -5.604 15.510 1.00 2.96 C ATOM 3122 O LYS B 91 -7.604 -6.423 14.865 1.00 3.42 O ATOM 3123 CB LYS B 91 -7.579 -4.157 17.464 1.00 3.97 C ATOM 3124 CG LYS B 91 -6.986 -5.383 18.181 1.00 5.35 C ATOM 3125 CD LYS B 91 -7.100 -5.192 19.700 1.00 6.20 C ATOM 3126 CE LYS B 91 -6.829 -6.480 20.494 1.00 7.62 C ATOM 3127 NZ LYS B 91 -7.902 -7.483 20.322 1.00 8.05 N ATOM 0 H LYS B 91 -9.287 -3.430 15.012 1.00 2.05 H new ATOM 0 HA LYS B 91 -6.600 -4.257 15.536 1.00 2.90 H new ATOM 0 HB2 LYS B 91 -6.996 -3.276 17.733 1.00 3.97 H new ATOM 0 HB3 LYS B 91 -8.593 -3.992 17.829 1.00 3.97 H new ATOM 0 HG2 LYS B 91 -7.514 -6.286 17.877 1.00 5.35 H new ATOM 0 HG3 LYS B 91 -5.942 -5.514 17.897 1.00 5.35 H new ATOM 0 HD2 LYS B 91 -6.396 -4.423 20.017 1.00 6.20 H new ATOM 0 HD3 LYS B 91 -8.099 -4.828 19.940 1.00 6.20 H new ATOM 0 HE2 LYS B 91 -5.880 -6.909 20.173 1.00 7.62 H new ATOM 0 HE3 LYS B 91 -6.728 -6.237 21.552 1.00 7.62 H new ATOM 0 HZ1 LYS B 91 -7.845 -8.187 21.085 1.00 8.05 H new ATOM 0 HZ2 LYS B 91 -8.828 -7.010 20.356 1.00 8.05 H new ATOM 0 HZ3 LYS B 91 -7.789 -7.958 19.404 1.00 8.05 H new ATOM 3141 N ASP B 92 -9.503 -5.842 15.906 1.00 3.02 N ATOM 3142 CA ASP B 92 -10.113 -7.164 15.796 1.00 3.40 C ATOM 3143 C ASP B 92 -10.937 -7.221 14.516 1.00 2.85 C ATOM 3144 O ASP B 92 -12.139 -7.487 14.541 1.00 3.15 O ATOM 3145 CB ASP B 92 -10.916 -7.469 17.068 1.00 4.33 C ATOM 3146 CG ASP B 92 -9.992 -7.577 18.270 1.00 5.72 C ATOM 3147 OD1 ASP B 92 -9.044 -8.393 18.222 1.00 7.03 O ATOM 3148 OD2 ASP B 92 -10.144 -6.795 19.235 1.00 5.98 O ATOM 0 H ASP B 92 -10.115 -5.131 16.307 1.00 3.02 H new ATOM 0 HA ASP B 92 -9.358 -7.946 15.721 1.00 3.40 H new ATOM 0 HB2 ASP B 92 -11.652 -6.683 17.237 1.00 4.33 H new ATOM 0 HB3 ASP B 92 -11.468 -8.400 16.942 1.00 4.33 H new ATOM 3153 N LEU B 93 -10.243 -6.983 13.397 1.00 2.23 N ATOM 3154 CA LEU B 93 -10.800 -6.807 12.059 1.00 1.75 C ATOM 3155 C LEU B 93 -11.936 -7.793 11.805 1.00 1.48 C ATOM 3156 O LEU B 93 -13.061 -7.394 11.513 1.00 1.48 O ATOM 3157 CB LEU B 93 -9.701 -7.017 11.008 1.00 2.08 C ATOM 3158 CG LEU B 93 -8.745 -5.832 10.790 1.00 1.65 C ATOM 3159 CD1 LEU B 93 -8.006 -5.363 12.041 1.00 2.89 C ATOM 3160 CD2 LEU B 93 -7.683 -6.293 9.796 1.00 2.31 C ATOM 0 H LEU B 93 -9.226 -6.905 13.405 1.00 2.23 H new ATOM 0 HA LEU B 93 -11.195 -5.794 11.986 1.00 1.75 H new ATOM 0 HB2 LEU B 93 -9.111 -7.887 11.296 1.00 2.08 H new ATOM 0 HB3 LEU B 93 -10.176 -7.256 10.056 1.00 2.08 H new ATOM 0 HG LEU B 93 -9.356 -4.995 10.451 1.00 1.65 H new ATOM 0 HD11 LEU B 93 -7.357 -4.525 11.787 1.00 2.89 H new ATOM 0 HD12 LEU B 93 -8.729 -5.047 12.794 1.00 2.89 H new ATOM 0 HD13 LEU B 93 -7.404 -6.181 12.436 1.00 2.89 H new ATOM 0 HD21 LEU B 93 -6.980 -5.480 9.611 1.00 2.31 H new ATOM 0 HD22 LEU B 93 -7.148 -7.149 10.206 1.00 2.31 H new ATOM 0 HD23 LEU B 93 -8.161 -6.579 8.859 1.00 2.31 H new ATOM 3172 N LYS B 94 -11.636 -9.083 12.000 1.00 1.58 N ATOM 3173 CA LYS B 94 -12.525 -10.179 11.661 1.00 1.50 C ATOM 3174 C LYS B 94 -13.925 -10.079 12.264 1.00 1.45 C ATOM 3175 O LYS B 94 -14.810 -10.818 11.832 1.00 1.49 O ATOM 3176 CB LYS B 94 -11.874 -11.540 11.929 1.00 1.99 C ATOM 3177 CG LYS B 94 -11.701 -11.851 13.423 1.00 3.30 C ATOM 3178 CD LYS B 94 -12.397 -13.159 13.835 1.00 4.76 C ATOM 3179 CE LYS B 94 -13.899 -13.043 14.157 1.00 6.51 C ATOM 3180 NZ LYS B 94 -14.771 -13.202 12.972 1.00 7.33 N ATOM 0 H LYS B 94 -10.752 -9.390 12.405 1.00 1.58 H new ATOM 0 HA LYS B 94 -12.687 -10.089 10.587 1.00 1.50 H new ATOM 0 HB2 LYS B 94 -12.481 -12.321 11.471 1.00 1.99 H new ATOM 0 HB3 LYS B 94 -10.898 -11.569 11.444 1.00 1.99 H new ATOM 0 HG2 LYS B 94 -10.638 -11.919 13.656 1.00 3.30 H new ATOM 0 HG3 LYS B 94 -12.104 -11.027 14.012 1.00 3.30 H new ATOM 0 HD2 LYS B 94 -12.271 -13.885 13.031 1.00 4.76 H new ATOM 0 HD3 LYS B 94 -11.886 -13.561 14.710 1.00 4.76 H new ATOM 0 HE2 LYS B 94 -14.163 -13.799 14.897 1.00 6.51 H new ATOM 0 HE3 LYS B 94 -14.091 -12.071 14.612 1.00 6.51 H new ATOM 0 HZ1 LYS B 94 -15.582 -13.806 13.216 1.00 7.33 H new ATOM 0 HZ2 LYS B 94 -15.114 -12.269 12.666 1.00 7.33 H new ATOM 0 HZ3 LYS B 94 -14.231 -13.643 12.200 1.00 7.33 H new ATOM 3194 N ILE B 95 -14.141 -9.273 13.312 1.00 1.58 N ATOM 3195 CA ILE B 95 -15.486 -9.010 13.807 1.00 1.70 C ATOM 3196 C ILE B 95 -16.412 -8.502 12.689 1.00 1.60 C ATOM 3197 O ILE B 95 -17.629 -8.666 12.767 1.00 1.81 O ATOM 3198 CB ILE B 95 -15.391 -8.038 14.993 1.00 1.89 C ATOM 3199 CG1 ILE B 95 -16.626 -8.160 15.895 1.00 2.76 C ATOM 3200 CG2 ILE B 95 -15.170 -6.587 14.534 1.00 2.41 C ATOM 3201 CD1 ILE B 95 -16.370 -7.474 17.236 1.00 2.91 C ATOM 0 H ILE B 95 -13.401 -8.797 13.827 1.00 1.58 H new ATOM 0 HA ILE B 95 -15.940 -9.937 14.156 1.00 1.70 H new ATOM 0 HB ILE B 95 -14.515 -8.318 15.578 1.00 1.89 H new ATOM 0 HG12 ILE B 95 -17.489 -7.708 15.406 1.00 2.76 H new ATOM 0 HG13 ILE B 95 -16.865 -9.211 16.056 1.00 2.76 H new ATOM 0 HG21 ILE B 95 -15.109 -5.935 15.405 1.00 2.41 H new ATOM 0 HG22 ILE B 95 -14.242 -6.522 13.967 1.00 2.41 H new ATOM 0 HG23 ILE B 95 -16.003 -6.274 13.904 1.00 2.41 H new ATOM 0 HD11 ILE B 95 -17.254 -7.567 17.867 1.00 2.91 H new ATOM 0 HD12 ILE B 95 -15.520 -7.946 17.730 1.00 2.91 H new ATOM 0 HD13 ILE B 95 -16.153 -6.419 17.069 1.00 2.91 H new ATOM 3213 N ARG B 96 -15.831 -7.921 11.638 1.00 1.41 N ATOM 3214 CA ARG B 96 -16.490 -7.547 10.407 1.00 1.46 C ATOM 3215 C ARG B 96 -17.377 -6.320 10.619 1.00 1.76 C ATOM 3216 O ARG B 96 -16.876 -5.199 10.640 1.00 2.59 O ATOM 3217 CB ARG B 96 -17.199 -8.741 9.753 1.00 1.59 C ATOM 3218 CG ARG B 96 -17.588 -8.395 8.308 1.00 1.90 C ATOM 3219 CD ARG B 96 -18.890 -9.095 7.924 1.00 2.45 C ATOM 3220 NE ARG B 96 -19.227 -8.853 6.515 1.00 3.62 N ATOM 3221 CZ ARG B 96 -20.390 -9.189 5.931 1.00 4.34 C ATOM 3222 NH1 ARG B 96 -21.435 -9.596 6.660 1.00 4.09 N ATOM 3223 NH2 ARG B 96 -20.497 -9.123 4.599 1.00 5.89 N ATOM 0 H ARG B 96 -14.837 -7.691 11.632 1.00 1.41 H new ATOM 0 HA ARG B 96 -15.735 -7.246 9.681 1.00 1.46 H new ATOM 0 HB2 ARG B 96 -16.545 -9.613 9.763 1.00 1.59 H new ATOM 0 HB3 ARG B 96 -18.089 -9.004 10.325 1.00 1.59 H new ATOM 0 HG2 ARG B 96 -17.704 -7.316 8.204 1.00 1.90 H new ATOM 0 HG3 ARG B 96 -16.791 -8.697 7.628 1.00 1.90 H new ATOM 0 HD2 ARG B 96 -18.795 -10.167 8.099 1.00 2.45 H new ATOM 0 HD3 ARG B 96 -19.699 -8.738 8.561 1.00 2.45 H new ATOM 0 HE ARG B 96 -18.524 -8.395 5.935 1.00 3.62 H new ATOM 0 HH11 ARG B 96 -21.357 -9.655 7.675 1.00 4.09 H new ATOM 0 HH12 ARG B 96 -22.310 -9.847 6.201 1.00 4.09 H new ATOM 0 HH21 ARG B 96 -19.701 -8.820 4.038 1.00 5.89 H new ATOM 0 HH22 ARG B 96 -21.375 -9.376 4.145 1.00 5.89 H new