USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1052 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: A 10 MET CE :methyl -170:sc= -1.23 (180deg=-1.25) USER MOD Set 1.2: A 73 THR OG1 : rot -58:sc= 0.862 USER MOD Set 1.3: A 119 ASN : amide:sc= 0.0179 K(o=-0.35,f=-1.9) USER MOD Set 2.1: A 88 CYS SG : rot -115:sc= 1.09 USER MOD Set 2.2: A 137 TYR OH : rot -54:sc= 0.923 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -167:sc= 1.16 (180deg=-0.0979) USER MOD Set 3.2: A 50 TYR OH : rot 15:sc= 0.757 USER MOD Set 4.1: A 43 THR OG1 : rot 84:sc= 0.918 USER MOD Set 4.2: A 45 THR OG1 : rot 34:sc= 1.77 USER MOD Set 5.1: A 16 THR OG1 : rot 100:sc= 0.775 USER MOD Set 5.2: A 20 CYS SG : rot -157:sc= 1.81 USER MOD Set 5.3: A 69 TYR OH : rot -51:sc= 0.774 USER MOD Set 6.1: A 5 GLN : amide:sc= 1.57 K(o=2.5,f=-3.7!) USER MOD Set 6.2: A 35 THR OG1 : rot -76:sc= 0.941 USER MOD Single : A 11 GLN : amide:sc= 0.427 K(o=0.43,f=-0.75) USER MOD Single : A 13 SER OG : rot 76:sc= 0.917 USER MOD Single : A 15 MET CE :methyl -179:sc= -0.682 (180deg=-0.698) USER MOD Single : A 17 CYS SG : rot 180:sc= -1.85! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.364) USER MOD Single : A 31 MET CE :methyl 165:sc=-0.000164 (180deg=-0.18) USER MOD Single : A 38 ASN : amide:sc= 0.416 K(o=0.42,f=-0.34) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 47 ASN : amide:sc= -0.0177 K(o=-0.018,f=-2.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 57 THR OG1 : rot -128:sc= 1.15 USER MOD Single : A 61 GLN : amide:sc= 0.687 K(o=0.69,f=-1.5) USER MOD Single : A 63 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.798) USER MOD Single : A 66 LYS NZ :NH3+ -115:sc= 1.14 (180deg=0.299) USER MOD Single : A 70 HIS : no HE2:sc= 0.995 K(o=0.99,f=-3.6!) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0351) USER MOD Single : A 83 MET CE :methyl 168:sc= -0.849 (180deg=-0.903) USER MOD Single : A 90 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.7!) USER MOD Single : A 94 LYS NZ :NH3+ -132:sc= 2.29 (180deg=0.0799!) USER MOD Single : A 97 ASN : amide:sc= -0.0579 K(o=-0.058,f=-2.1!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0.856 K(o=0.86,f=-1.1) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 110:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 165:sc= -0.0177 (180deg=-0.217) USER MOD Single : A 124 SER OG : rot 10:sc= 0.628 USER MOD Single : A 126 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 129 LYS NZ :NH3+ 156:sc= -0.592 (180deg=-0.746) USER MOD Single : A 134 LYS NZ :NH3+ -129:sc= 2.19 (180deg=-0.63!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -120:sc= 1.15 (180deg=-0.092) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 1.263 -15.363 3.984 1.00 0.94 N ATOM 66 CA GLN A 5 0.183 -14.560 3.517 1.00 0.75 C ATOM 67 C GLN A 5 0.337 -13.124 4.054 1.00 0.84 C ATOM 68 O GLN A 5 1.205 -12.826 4.875 1.00 1.53 O ATOM 69 CB GLN A 5 -1.113 -15.284 3.850 1.00 0.84 C ATOM 70 CG GLN A 5 -1.113 -16.826 3.708 1.00 1.15 C ATOM 71 CD GLN A 5 -1.029 -17.383 2.284 1.00 1.31 C ATOM 72 OE1 GLN A 5 -1.993 -17.967 1.799 1.00 2.73 O ATOM 73 NE2 GLN A 5 0.094 -17.285 1.583 1.00 1.08 N ATOM 0 HA GLN A 5 0.175 -14.430 2.435 1.00 0.75 H new ATOM 0 HB2 GLN A 5 -1.384 -15.038 4.877 1.00 0.84 H new ATOM 0 HB3 GLN A 5 -1.899 -14.885 3.209 1.00 0.84 H new ATOM 0 HG2 GLN A 5 -0.272 -17.221 4.278 1.00 1.15 H new ATOM 0 HG3 GLN A 5 -2.021 -17.211 4.171 1.00 1.15 H new ATOM 0 HE21 GLN A 5 0.901 -16.801 1.977 1.00 1.08 H new ATOM 0 HE22 GLN A 5 0.150 -17.693 0.650 1.00 1.08 H new ATOM 82 N LYS A 6 -0.463 -12.198 3.543 1.00 0.80 N ATOM 83 CA LYS A 6 -0.659 -10.880 4.118 1.00 0.79 C ATOM 84 C LYS A 6 -2.099 -10.501 3.825 1.00 0.87 C ATOM 85 O LYS A 6 -2.729 -11.181 3.019 1.00 1.25 O ATOM 86 CB LYS A 6 0.295 -9.846 3.491 1.00 0.95 C ATOM 87 CG LYS A 6 -0.031 -9.532 2.015 1.00 1.26 C ATOM 88 CD LYS A 6 0.228 -8.062 1.657 1.00 1.42 C ATOM 89 CE LYS A 6 1.601 -7.891 1.005 1.00 1.15 C ATOM 90 NZ LYS A 6 1.730 -6.591 0.324 1.00 1.95 N ATOM 0 H LYS A 6 -1.007 -12.350 2.694 1.00 0.80 H new ATOM 0 HA LYS A 6 -0.450 -10.894 5.188 1.00 0.79 H new ATOM 0 HB2 LYS A 6 0.251 -8.923 4.070 1.00 0.95 H new ATOM 0 HB3 LYS A 6 1.318 -10.217 3.559 1.00 0.95 H new ATOM 0 HG2 LYS A 6 0.571 -10.172 1.369 1.00 1.26 H new ATOM 0 HG3 LYS A 6 -1.076 -9.772 1.818 1.00 1.26 H new ATOM 0 HD2 LYS A 6 -0.548 -7.707 0.978 1.00 1.42 H new ATOM 0 HD3 LYS A 6 0.170 -7.449 2.556 1.00 1.42 H new ATOM 0 HE2 LYS A 6 2.377 -7.981 1.765 1.00 1.15 H new ATOM 0 HE3 LYS A 6 1.764 -8.694 0.287 1.00 1.15 H new ATOM 0 HZ1 LYS A 6 2.574 -6.600 -0.283 1.00 1.95 H new ATOM 0 HZ2 LYS A 6 0.886 -6.419 -0.259 1.00 1.95 H new ATOM 0 HZ3 LYS A 6 1.821 -5.835 1.033 1.00 1.95 H new ATOM 104 N GLU A 7 -2.541 -9.365 4.355 1.00 0.67 N ATOM 105 CA GLU A 7 -3.801 -8.712 4.109 1.00 0.67 C ATOM 106 C GLU A 7 -3.453 -7.290 3.679 1.00 0.72 C ATOM 107 O GLU A 7 -2.718 -6.603 4.386 1.00 1.06 O ATOM 108 CB GLU A 7 -4.621 -8.691 5.409 1.00 0.74 C ATOM 109 CG GLU A 7 -4.579 -10.027 6.175 1.00 1.75 C ATOM 110 CD GLU A 7 -3.482 -10.076 7.243 1.00 1.81 C ATOM 111 OE1 GLU A 7 -2.340 -9.660 6.937 1.00 2.56 O ATOM 112 OE2 GLU A 7 -3.814 -10.523 8.361 1.00 2.60 O ATOM 0 H GLU A 7 -1.972 -8.843 5.021 1.00 0.67 H new ATOM 0 HA GLU A 7 -4.391 -9.222 3.348 1.00 0.67 H new ATOM 0 HB2 GLU A 7 -4.246 -7.897 6.055 1.00 0.74 H new ATOM 0 HB3 GLU A 7 -5.657 -8.447 5.174 1.00 0.74 H new ATOM 0 HG2 GLU A 7 -5.546 -10.197 6.648 1.00 1.75 H new ATOM 0 HG3 GLU A 7 -4.423 -10.840 5.466 1.00 1.75 H new ATOM 119 N ILE A 8 -3.942 -6.847 2.524 1.00 0.53 N ATOM 120 CA ILE A 8 -3.881 -5.451 2.126 1.00 0.54 C ATOM 121 C ILE A 8 -5.335 -4.966 2.095 1.00 0.51 C ATOM 122 O ILE A 8 -6.163 -5.580 1.420 1.00 0.58 O ATOM 123 CB ILE A 8 -3.102 -5.326 0.796 1.00 0.65 C ATOM 124 CG1 ILE A 8 -2.269 -4.038 0.740 1.00 0.83 C ATOM 125 CG2 ILE A 8 -3.994 -5.447 -0.436 1.00 1.01 C ATOM 126 CD1 ILE A 8 -0.914 -4.285 1.405 1.00 2.56 C ATOM 0 H ILE A 8 -4.393 -7.452 1.838 1.00 0.53 H new ATOM 0 HA ILE A 8 -3.329 -4.811 2.814 1.00 0.54 H new ATOM 0 HB ILE A 8 -2.419 -6.176 0.776 1.00 0.65 H new ATOM 0 HG12 ILE A 8 -2.128 -3.727 -0.295 1.00 0.83 H new ATOM 0 HG13 ILE A 8 -2.794 -3.229 1.247 1.00 0.83 H new ATOM 0 HG21 ILE A 8 -3.387 -5.351 -1.336 1.00 1.01 H new ATOM 0 HG22 ILE A 8 -4.488 -6.419 -0.434 1.00 1.01 H new ATOM 0 HG23 ILE A 8 -4.746 -4.658 -0.420 1.00 1.01 H new ATOM 0 HD11 ILE A 8 -0.319 -3.373 1.368 1.00 2.56 H new ATOM 0 HD12 ILE A 8 -1.066 -4.576 2.444 1.00 2.56 H new ATOM 0 HD13 ILE A 8 -0.390 -5.082 0.878 1.00 2.56 H new ATOM 138 N ALA A 9 -5.665 -3.928 2.872 1.00 0.52 N ATOM 139 CA ALA A 9 -7.000 -3.355 2.954 1.00 0.55 C ATOM 140 C ALA A 9 -6.912 -1.936 2.410 1.00 0.58 C ATOM 141 O ALA A 9 -6.143 -1.138 2.942 1.00 0.67 O ATOM 142 CB ALA A 9 -7.470 -3.362 4.412 1.00 0.62 C ATOM 0 H ALA A 9 -4.989 -3.456 3.473 1.00 0.52 H new ATOM 0 HA ALA A 9 -7.721 -3.931 2.374 1.00 0.55 H new ATOM 0 HB1 ALA A 9 -8.470 -2.933 4.474 1.00 0.62 H new ATOM 0 HB2 ALA A 9 -7.491 -4.387 4.782 1.00 0.62 H new ATOM 0 HB3 ALA A 9 -6.783 -2.771 5.018 1.00 0.62 H new ATOM 148 N MET A 10 -7.616 -1.643 1.314 1.00 0.54 N ATOM 149 CA MET A 10 -7.520 -0.362 0.611 1.00 0.51 C ATOM 150 C MET A 10 -8.881 0.015 0.019 1.00 0.46 C ATOM 151 O MET A 10 -9.803 -0.796 0.044 1.00 0.54 O ATOM 152 CB MET A 10 -6.443 -0.459 -0.483 1.00 0.59 C ATOM 153 CG MET A 10 -5.028 -0.632 0.096 1.00 0.83 C ATOM 154 SD MET A 10 -3.671 -0.710 -1.094 1.00 1.42 S ATOM 155 CE MET A 10 -3.713 0.978 -1.721 1.00 1.80 C ATOM 0 H MET A 10 -8.274 -2.294 0.886 1.00 0.54 H new ATOM 0 HA MET A 10 -7.232 0.422 1.311 1.00 0.51 H new ATOM 0 HB2 MET A 10 -6.670 -1.301 -1.138 1.00 0.59 H new ATOM 0 HB3 MET A 10 -6.473 0.440 -1.098 1.00 0.59 H new ATOM 0 HG2 MET A 10 -4.836 0.196 0.778 1.00 0.83 H new ATOM 0 HG3 MET A 10 -5.013 -1.545 0.691 1.00 0.83 H new ATOM 0 HE1 MET A 10 -3.061 1.060 -2.590 1.00 1.80 H new ATOM 0 HE2 MET A 10 -4.733 1.234 -2.007 1.00 1.80 H new ATOM 0 HE3 MET A 10 -3.371 1.663 -0.945 1.00 1.80 H new ATOM 165 N GLN A 11 -9.017 1.229 -0.529 1.00 0.43 N ATOM 166 CA GLN A 11 -10.233 1.679 -1.203 1.00 0.43 C ATOM 167 C GLN A 11 -9.991 1.815 -2.703 1.00 0.38 C ATOM 168 O GLN A 11 -8.916 2.239 -3.135 1.00 0.51 O ATOM 169 CB GLN A 11 -10.719 3.008 -0.626 1.00 0.53 C ATOM 170 CG GLN A 11 -11.175 2.828 0.814 1.00 1.31 C ATOM 171 CD GLN A 11 -11.764 4.096 1.418 1.00 1.67 C ATOM 172 OE1 GLN A 11 -12.000 5.098 0.741 1.00 1.83 O ATOM 173 NE2 GLN A 11 -12.006 4.052 2.718 1.00 2.43 N ATOM 0 H GLN A 11 -8.277 1.930 -0.515 1.00 0.43 H new ATOM 0 HA GLN A 11 -11.007 0.930 -1.037 1.00 0.43 H new ATOM 0 HB2 GLN A 11 -9.918 3.745 -0.670 1.00 0.53 H new ATOM 0 HB3 GLN A 11 -11.541 3.394 -1.229 1.00 0.53 H new ATOM 0 HG2 GLN A 11 -11.920 2.033 0.856 1.00 1.31 H new ATOM 0 HG3 GLN A 11 -10.328 2.504 1.419 1.00 1.31 H new ATOM 0 HE21 GLN A 11 -11.798 3.205 3.247 1.00 2.43 H new ATOM 0 HE22 GLN A 11 -12.401 4.865 3.191 1.00 2.43 H new ATOM 182 N VAL A 12 -11.007 1.458 -3.488 1.00 0.31 N ATOM 183 CA VAL A 12 -10.963 1.389 -4.931 1.00 0.30 C ATOM 184 C VAL A 12 -12.260 1.969 -5.488 1.00 0.32 C ATOM 185 O VAL A 12 -13.316 1.816 -4.880 1.00 0.46 O ATOM 186 CB VAL A 12 -10.720 -0.068 -5.344 1.00 0.40 C ATOM 187 CG1 VAL A 12 -11.768 -1.023 -4.765 1.00 0.49 C ATOM 188 CG2 VAL A 12 -10.734 -0.201 -6.863 1.00 0.50 C ATOM 0 H VAL A 12 -11.918 1.200 -3.110 1.00 0.31 H new ATOM 0 HA VAL A 12 -10.145 1.980 -5.343 1.00 0.30 H new ATOM 0 HB VAL A 12 -9.744 -0.342 -4.944 1.00 0.40 H new ATOM 0 HG11 VAL A 12 -11.550 -2.041 -5.087 1.00 0.49 H new ATOM 0 HG12 VAL A 12 -11.743 -0.974 -3.676 1.00 0.49 H new ATOM 0 HG13 VAL A 12 -12.758 -0.735 -5.118 1.00 0.49 H new ATOM 0 HG21 VAL A 12 -10.560 -1.241 -7.139 1.00 0.50 H new ATOM 0 HG22 VAL A 12 -11.702 0.119 -7.247 1.00 0.50 H new ATOM 0 HG23 VAL A 12 -9.950 0.424 -7.290 1.00 0.50 H new ATOM 198 N SER A 13 -12.157 2.649 -6.629 1.00 0.31 N ATOM 199 CA SER A 13 -13.235 3.416 -7.232 1.00 0.34 C ATOM 200 C SER A 13 -13.881 2.650 -8.387 1.00 0.41 C ATOM 201 O SER A 13 -13.418 1.580 -8.776 1.00 0.67 O ATOM 202 CB SER A 13 -12.683 4.749 -7.745 1.00 0.51 C ATOM 203 OG SER A 13 -11.638 5.232 -6.921 1.00 0.84 O ATOM 0 H SER A 13 -11.294 2.679 -7.172 1.00 0.31 H new ATOM 0 HA SER A 13 -13.998 3.593 -6.474 1.00 0.34 H new ATOM 0 HB2 SER A 13 -12.316 4.623 -8.764 1.00 0.51 H new ATOM 0 HB3 SER A 13 -13.486 5.485 -7.784 1.00 0.51 H new ATOM 0 HG SER A 13 -10.818 4.726 -7.102 1.00 0.84 H new ATOM 209 N GLY A 14 -14.948 3.220 -8.955 1.00 0.46 N ATOM 210 CA GLY A 14 -15.678 2.621 -10.066 1.00 0.57 C ATOM 211 C GLY A 14 -16.451 1.374 -9.632 1.00 0.54 C ATOM 212 O GLY A 14 -16.956 0.621 -10.465 1.00 0.62 O ATOM 0 H GLY A 14 -15.329 4.116 -8.651 1.00 0.46 H new ATOM 0 HA2 GLY A 14 -16.371 3.352 -10.481 1.00 0.57 H new ATOM 0 HA3 GLY A 14 -14.979 2.357 -10.860 1.00 0.57 H new ATOM 216 N MET A 15 -16.565 1.163 -8.319 1.00 0.57 N ATOM 217 CA MET A 15 -17.255 0.021 -7.751 1.00 0.62 C ATOM 218 C MET A 15 -18.763 0.156 -7.947 1.00 0.65 C ATOM 219 O MET A 15 -19.488 0.595 -7.061 1.00 0.90 O ATOM 220 CB MET A 15 -16.869 -0.123 -6.275 1.00 0.72 C ATOM 221 CG MET A 15 -15.543 -0.874 -6.149 1.00 0.95 C ATOM 222 SD MET A 15 -15.668 -2.654 -6.475 1.00 2.07 S ATOM 223 CE MET A 15 -13.992 -3.138 -6.039 1.00 3.21 C ATOM 0 H MET A 15 -16.173 1.793 -7.619 1.00 0.57 H new ATOM 0 HA MET A 15 -16.952 -0.890 -8.267 1.00 0.62 H new ATOM 0 HB2 MET A 15 -16.783 0.862 -5.816 1.00 0.72 H new ATOM 0 HB3 MET A 15 -17.651 -0.658 -5.737 1.00 0.72 H new ATOM 0 HG2 MET A 15 -14.823 -0.438 -6.842 1.00 0.95 H new ATOM 0 HG3 MET A 15 -15.148 -0.726 -5.144 1.00 0.95 H new ATOM 0 HE1 MET A 15 -13.871 -4.210 -6.194 1.00 3.21 H new ATOM 0 HE2 MET A 15 -13.283 -2.598 -6.666 1.00 3.21 H new ATOM 0 HE3 MET A 15 -13.805 -2.900 -4.992 1.00 3.21 H new ATOM 233 N THR A 16 -19.243 -0.286 -9.111 1.00 0.70 N ATOM 234 CA THR A 16 -20.668 -0.320 -9.420 1.00 0.89 C ATOM 235 C THR A 16 -21.456 -1.195 -8.434 1.00 0.94 C ATOM 236 O THR A 16 -22.663 -1.018 -8.316 1.00 1.08 O ATOM 237 CB THR A 16 -20.864 -0.761 -10.879 1.00 1.11 C ATOM 238 OG1 THR A 16 -20.122 0.090 -11.733 1.00 1.10 O ATOM 239 CG2 THR A 16 -22.325 -0.711 -11.334 1.00 1.47 C ATOM 0 H THR A 16 -18.650 -0.631 -9.866 1.00 0.70 H new ATOM 0 HA THR A 16 -21.074 0.685 -9.305 1.00 0.89 H new ATOM 0 HB THR A 16 -20.524 -1.795 -10.934 1.00 1.11 H new ATOM 0 HG1 THR A 16 -19.284 -0.351 -11.987 1.00 1.10 H new ATOM 0 HG21 THR A 16 -22.394 -1.034 -12.373 1.00 1.47 H new ATOM 0 HG22 THR A 16 -22.924 -1.372 -10.708 1.00 1.47 H new ATOM 0 HG23 THR A 16 -22.699 0.309 -11.246 1.00 1.47 H new ATOM 247 N CYS A 17 -20.785 -2.128 -7.742 1.00 0.97 N ATOM 248 CA CYS A 17 -21.381 -3.044 -6.771 1.00 1.25 C ATOM 249 C CYS A 17 -22.220 -4.091 -7.499 1.00 1.16 C ATOM 250 O CYS A 17 -23.394 -3.876 -7.779 1.00 2.40 O ATOM 251 CB CYS A 17 -22.157 -2.326 -5.658 1.00 2.33 C ATOM 252 SG CYS A 17 -22.937 -3.581 -4.616 1.00 3.18 S ATOM 0 H CYS A 17 -19.780 -2.266 -7.850 1.00 0.97 H new ATOM 0 HA CYS A 17 -20.571 -3.555 -6.250 1.00 1.25 H new ATOM 0 HB2 CYS A 17 -21.485 -1.704 -5.066 1.00 2.33 H new ATOM 0 HB3 CYS A 17 -22.910 -1.664 -6.085 1.00 2.33 H new ATOM 0 HG CYS A 17 -23.601 -3.001 -3.661 1.00 3.18 H new ATOM 258 N ALA A 18 -21.557 -5.204 -7.837 1.00 1.41 N ATOM 259 CA ALA A 18 -22.006 -6.351 -8.618 1.00 1.95 C ATOM 260 C ALA A 18 -20.811 -6.764 -9.481 1.00 1.71 C ATOM 261 O ALA A 18 -19.774 -7.170 -8.952 1.00 2.34 O ATOM 262 CB ALA A 18 -23.285 -6.088 -9.436 1.00 2.91 C ATOM 0 H ALA A 18 -20.591 -5.331 -7.535 1.00 1.41 H new ATOM 0 HA ALA A 18 -22.311 -7.163 -7.958 1.00 1.95 H new ATOM 0 HB1 ALA A 18 -23.555 -6.988 -9.989 1.00 2.91 H new ATOM 0 HB2 ALA A 18 -24.099 -5.819 -8.763 1.00 2.91 H new ATOM 0 HB3 ALA A 18 -23.108 -5.271 -10.136 1.00 2.91 H new ATOM 268 N ALA A 19 -20.922 -6.595 -10.802 1.00 1.75 N ATOM 269 CA ALA A 19 -19.931 -7.058 -11.758 1.00 1.70 C ATOM 270 C ALA A 19 -18.533 -6.503 -11.487 1.00 1.31 C ATOM 271 O ALA A 19 -17.561 -7.205 -11.732 1.00 1.30 O ATOM 272 CB ALA A 19 -20.386 -6.726 -13.181 1.00 2.12 C ATOM 0 H ALA A 19 -21.717 -6.125 -11.236 1.00 1.75 H new ATOM 0 HA ALA A 19 -19.853 -8.139 -11.644 1.00 1.70 H new ATOM 0 HB1 ALA A 19 -19.638 -7.076 -13.893 1.00 2.12 H new ATOM 0 HB2 ALA A 19 -21.338 -7.218 -13.383 1.00 2.12 H new ATOM 0 HB3 ALA A 19 -20.507 -5.647 -13.282 1.00 2.12 H new ATOM 278 N CYS A 20 -18.410 -5.262 -11.004 1.00 1.05 N ATOM 279 CA CYS A 20 -17.111 -4.612 -10.831 1.00 0.85 C ATOM 280 C CYS A 20 -16.278 -5.363 -9.796 1.00 0.63 C ATOM 281 O CYS A 20 -15.199 -5.873 -10.098 1.00 0.63 O ATOM 282 CB CYS A 20 -17.294 -3.149 -10.415 1.00 0.80 C ATOM 283 SG CYS A 20 -17.806 -2.171 -11.844 1.00 1.04 S ATOM 0 H CYS A 20 -19.203 -4.685 -10.724 1.00 1.05 H new ATOM 0 HA CYS A 20 -16.582 -4.633 -11.784 1.00 0.85 H new ATOM 0 HB2 CYS A 20 -18.042 -3.076 -9.625 1.00 0.80 H new ATOM 0 HB3 CYS A 20 -16.362 -2.757 -10.009 1.00 0.80 H new ATOM 0 HG CYS A 20 -17.491 -0.924 -11.652 1.00 1.04 H new ATOM 289 N ALA A 21 -16.818 -5.453 -8.578 1.00 0.57 N ATOM 290 CA ALA A 21 -16.244 -6.236 -7.498 1.00 0.61 C ATOM 291 C ALA A 21 -15.934 -7.642 -8.001 1.00 0.70 C ATOM 292 O ALA A 21 -14.779 -8.062 -7.996 1.00 0.67 O ATOM 293 CB ALA A 21 -17.228 -6.270 -6.323 1.00 0.91 C ATOM 0 H ALA A 21 -17.680 -4.974 -8.318 1.00 0.57 H new ATOM 0 HA ALA A 21 -15.313 -5.784 -7.155 1.00 0.61 H new ATOM 0 HB1 ALA A 21 -16.802 -6.857 -5.509 1.00 0.91 H new ATOM 0 HB2 ALA A 21 -17.417 -5.254 -5.977 1.00 0.91 H new ATOM 0 HB3 ALA A 21 -18.165 -6.724 -6.646 1.00 0.91 H new ATOM 299 N ALA A 22 -16.959 -8.323 -8.521 1.00 0.90 N ATOM 300 CA ALA A 22 -16.834 -9.702 -8.966 1.00 1.06 C ATOM 301 C ALA A 22 -15.725 -9.851 -10.007 1.00 0.94 C ATOM 302 O ALA A 22 -14.992 -10.837 -9.999 1.00 0.97 O ATOM 303 CB ALA A 22 -18.179 -10.190 -9.508 1.00 1.34 C ATOM 0 H ALA A 22 -17.893 -7.930 -8.642 1.00 0.90 H new ATOM 0 HA ALA A 22 -16.555 -10.323 -8.115 1.00 1.06 H new ATOM 0 HB1 ALA A 22 -18.084 -11.223 -9.841 1.00 1.34 H new ATOM 0 HB2 ALA A 22 -18.931 -10.130 -8.722 1.00 1.34 H new ATOM 0 HB3 ALA A 22 -18.481 -9.565 -10.348 1.00 1.34 H new ATOM 309 N ARG A 23 -15.587 -8.878 -10.909 1.00 0.89 N ATOM 310 CA ARG A 23 -14.556 -8.876 -11.925 1.00 0.91 C ATOM 311 C ARG A 23 -13.186 -8.762 -11.282 1.00 0.72 C ATOM 312 O ARG A 23 -12.283 -9.508 -11.659 1.00 0.75 O ATOM 313 CB ARG A 23 -14.772 -7.727 -12.921 1.00 1.00 C ATOM 314 CG ARG A 23 -15.528 -8.183 -14.170 1.00 1.22 C ATOM 315 CD ARG A 23 -14.667 -9.184 -14.958 1.00 1.35 C ATOM 316 NE ARG A 23 -14.701 -8.888 -16.402 1.00 1.59 N ATOM 317 CZ ARG A 23 -13.780 -9.271 -17.303 1.00 2.09 C ATOM 318 NH1 ARG A 23 -12.773 -10.070 -16.930 1.00 2.81 N ATOM 319 NH2 ARG A 23 -13.871 -8.858 -18.572 1.00 2.25 N ATOM 0 H ARG A 23 -16.200 -8.064 -10.947 1.00 0.89 H new ATOM 0 HA ARG A 23 -14.613 -9.817 -12.471 1.00 0.91 H new ATOM 0 HB2 ARG A 23 -15.327 -6.925 -12.434 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -13.806 -7.314 -13.213 1.00 1.00 H new ATOM 0 HG2 ARG A 23 -16.473 -8.646 -13.886 1.00 1.22 H new ATOM 0 HG3 ARG A 23 -15.769 -7.324 -14.796 1.00 1.22 H new ATOM 0 HD2 ARG A 23 -13.638 -9.146 -14.599 1.00 1.35 H new ATOM 0 HD3 ARG A 23 -15.028 -10.197 -14.782 1.00 1.35 H new ATOM 0 HE ARG A 23 -15.493 -8.345 -16.747 1.00 1.59 H new ATOM 0 HH11 ARG A 23 -12.705 -10.388 -15.963 1.00 2.81 H new ATOM 0 HH12 ARG A 23 -12.073 -10.361 -17.613 1.00 2.81 H new ATOM 0 HH21 ARG A 23 -14.640 -8.252 -18.857 1.00 2.25 H new ATOM 0 HH22 ARG A 23 -13.171 -9.149 -19.255 1.00 2.25 H new ATOM 333 N ILE A 24 -13.009 -7.830 -10.342 1.00 0.59 N ATOM 334 CA ILE A 24 -11.715 -7.679 -9.706 1.00 0.52 C ATOM 335 C ILE A 24 -11.401 -8.959 -8.943 1.00 0.48 C ATOM 336 O ILE A 24 -10.319 -9.505 -9.117 1.00 0.51 O ATOM 337 CB ILE A 24 -11.684 -6.438 -8.811 1.00 0.49 C ATOM 338 CG1 ILE A 24 -11.799 -5.169 -9.671 1.00 0.67 C ATOM 339 CG2 ILE A 24 -10.393 -6.414 -8.000 1.00 0.53 C ATOM 340 CD1 ILE A 24 -12.272 -3.973 -8.848 1.00 0.55 C ATOM 0 H ILE A 24 -13.731 -7.187 -10.016 1.00 0.59 H new ATOM 0 HA ILE A 24 -10.941 -7.524 -10.458 1.00 0.52 H new ATOM 0 HB ILE A 24 -12.529 -6.472 -8.123 1.00 0.49 H new ATOM 0 HG12 ILE A 24 -10.831 -4.943 -10.119 1.00 0.67 H new ATOM 0 HG13 ILE A 24 -12.496 -5.346 -10.490 1.00 0.67 H new ATOM 0 HG21 ILE A 24 -10.378 -5.528 -7.366 1.00 0.53 H new ATOM 0 HG22 ILE A 24 -10.338 -7.307 -7.377 1.00 0.53 H new ATOM 0 HG23 ILE A 24 -9.539 -6.390 -8.677 1.00 0.53 H new ATOM 0 HD11 ILE A 24 -12.341 -3.094 -9.489 1.00 0.55 H new ATOM 0 HD12 ILE A 24 -13.252 -4.189 -8.422 1.00 0.55 H new ATOM 0 HD13 ILE A 24 -11.561 -3.780 -8.044 1.00 0.55 H new ATOM 352 N GLU A 25 -12.334 -9.461 -8.135 1.00 0.56 N ATOM 353 CA GLU A 25 -12.147 -10.677 -7.368 1.00 0.68 C ATOM 354 C GLU A 25 -11.795 -11.846 -8.289 1.00 0.74 C ATOM 355 O GLU A 25 -10.823 -12.552 -8.037 1.00 0.73 O ATOM 356 CB GLU A 25 -13.407 -10.959 -6.545 1.00 0.95 C ATOM 357 CG GLU A 25 -13.598 -9.903 -5.449 1.00 0.89 C ATOM 358 CD GLU A 25 -14.964 -10.039 -4.793 1.00 2.47 C ATOM 359 OE1 GLU A 25 -15.956 -9.779 -5.508 1.00 3.72 O ATOM 360 OE2 GLU A 25 -14.990 -10.399 -3.597 1.00 3.05 O ATOM 0 H GLU A 25 -13.246 -9.026 -7.998 1.00 0.56 H new ATOM 0 HA GLU A 25 -11.311 -10.550 -6.680 1.00 0.68 H new ATOM 0 HB2 GLU A 25 -14.278 -10.970 -7.200 1.00 0.95 H new ATOM 0 HB3 GLU A 25 -13.336 -11.948 -6.093 1.00 0.95 H new ATOM 0 HG2 GLU A 25 -12.817 -10.010 -4.696 1.00 0.89 H new ATOM 0 HG3 GLU A 25 -13.494 -8.906 -5.877 1.00 0.89 H new ATOM 367 N LYS A 26 -12.556 -12.063 -9.368 1.00 0.86 N ATOM 368 CA LYS A 26 -12.264 -13.109 -10.331 1.00 0.99 C ATOM 369 C LYS A 26 -10.868 -12.899 -10.937 1.00 0.85 C ATOM 370 O LYS A 26 -10.096 -13.848 -11.073 1.00 0.91 O ATOM 371 CB LYS A 26 -13.370 -13.193 -11.399 1.00 1.27 C ATOM 372 CG LYS A 26 -13.312 -14.575 -12.062 1.00 1.38 C ATOM 373 CD LYS A 26 -13.955 -14.652 -13.454 1.00 2.02 C ATOM 374 CE LYS A 26 -15.484 -14.499 -13.410 1.00 1.79 C ATOM 375 NZ LYS A 26 -16.104 -14.744 -14.732 1.00 2.75 N ATOM 0 H LYS A 26 -13.387 -11.515 -9.590 1.00 0.86 H new ATOM 0 HA LYS A 26 -12.251 -14.072 -9.821 1.00 0.99 H new ATOM 0 HB2 LYS A 26 -14.347 -13.033 -10.944 1.00 1.27 H new ATOM 0 HB3 LYS A 26 -13.234 -12.410 -12.145 1.00 1.27 H new ATOM 0 HG2 LYS A 26 -12.269 -14.880 -12.143 1.00 1.38 H new ATOM 0 HG3 LYS A 26 -13.805 -15.296 -11.410 1.00 1.38 H new ATOM 0 HD2 LYS A 26 -13.534 -13.872 -14.088 1.00 2.02 H new ATOM 0 HD3 LYS A 26 -13.703 -15.607 -13.914 1.00 2.02 H new ATOM 0 HE2 LYS A 26 -15.897 -15.196 -12.681 1.00 1.79 H new ATOM 0 HE3 LYS A 26 -15.738 -13.495 -13.071 1.00 1.79 H new ATOM 0 HZ1 LYS A 26 -17.135 -14.631 -14.658 1.00 2.75 H new ATOM 0 HZ2 LYS A 26 -15.729 -14.063 -15.423 1.00 2.75 H new ATOM 0 HZ3 LYS A 26 -15.884 -15.711 -15.045 1.00 2.75 H new ATOM 389 N GLY A 27 -10.550 -11.657 -11.303 1.00 0.75 N ATOM 390 CA GLY A 27 -9.273 -11.291 -11.891 1.00 0.78 C ATOM 391 C GLY A 27 -8.120 -11.533 -10.919 1.00 0.63 C ATOM 392 O GLY A 27 -7.040 -11.954 -11.323 1.00 0.77 O ATOM 0 H GLY A 27 -11.187 -10.868 -11.195 1.00 0.75 H new ATOM 0 HA2 GLY A 27 -9.111 -11.869 -12.801 1.00 0.78 H new ATOM 0 HA3 GLY A 27 -9.292 -10.240 -12.180 1.00 0.78 H new ATOM 396 N LEU A 28 -8.342 -11.256 -9.636 1.00 0.45 N ATOM 397 CA LEU A 28 -7.363 -11.445 -8.585 1.00 0.44 C ATOM 398 C LEU A 28 -7.160 -12.927 -8.305 1.00 0.43 C ATOM 399 O LEU A 28 -6.029 -13.394 -8.228 1.00 0.45 O ATOM 400 CB LEU A 28 -7.768 -10.690 -7.319 1.00 0.59 C ATOM 401 CG LEU A 28 -7.056 -9.333 -7.220 1.00 0.83 C ATOM 402 CD1 LEU A 28 -7.702 -8.583 -6.071 1.00 2.67 C ATOM 403 CD2 LEU A 28 -5.560 -9.540 -6.947 1.00 3.00 C ATOM 0 H LEU A 28 -9.230 -10.886 -9.298 1.00 0.45 H new ATOM 0 HA LEU A 28 -6.412 -11.033 -8.923 1.00 0.44 H new ATOM 0 HB2 LEU A 28 -8.847 -10.537 -7.315 1.00 0.59 H new ATOM 0 HB3 LEU A 28 -7.528 -11.292 -6.443 1.00 0.59 H new ATOM 0 HG LEU A 28 -7.147 -8.773 -8.151 1.00 0.83 H new ATOM 0 HD11 LEU A 28 -7.228 -7.608 -5.961 1.00 2.67 H new ATOM 0 HD12 LEU A 28 -8.764 -8.449 -6.276 1.00 2.67 H new ATOM 0 HD13 LEU A 28 -7.579 -9.153 -5.150 1.00 2.67 H new ATOM 0 HD21 LEU A 28 -5.065 -8.571 -6.879 1.00 3.00 H new ATOM 0 HD22 LEU A 28 -5.433 -10.079 -6.008 1.00 3.00 H new ATOM 0 HD23 LEU A 28 -5.118 -10.117 -7.760 1.00 3.00 H new ATOM 415 N LYS A 29 -8.259 -13.673 -8.190 1.00 0.48 N ATOM 416 CA LYS A 29 -8.264 -15.119 -8.008 1.00 0.59 C ATOM 417 C LYS A 29 -7.523 -15.859 -9.137 1.00 0.64 C ATOM 418 O LYS A 29 -7.181 -17.027 -8.987 1.00 0.76 O ATOM 419 CB LYS A 29 -9.694 -15.600 -7.702 1.00 0.65 C ATOM 420 CG LYS A 29 -9.975 -15.300 -6.214 1.00 1.23 C ATOM 421 CD LYS A 29 -11.428 -15.043 -5.783 1.00 1.74 C ATOM 422 CE LYS A 29 -12.401 -16.202 -6.024 1.00 2.11 C ATOM 423 NZ LYS A 29 -12.869 -16.245 -7.421 1.00 4.33 N ATOM 0 H LYS A 29 -9.197 -13.273 -8.222 1.00 0.48 H new ATOM 0 HA LYS A 29 -7.673 -15.384 -7.131 1.00 0.59 H new ATOM 0 HB2 LYS A 29 -10.415 -15.088 -8.339 1.00 0.65 H new ATOM 0 HB3 LYS A 29 -9.791 -16.667 -7.903 1.00 0.65 H new ATOM 0 HG2 LYS A 29 -9.598 -16.139 -5.629 1.00 1.23 H new ATOM 0 HG3 LYS A 29 -9.386 -14.427 -5.934 1.00 1.23 H new ATOM 0 HD2 LYS A 29 -11.436 -14.799 -4.721 1.00 1.74 H new ATOM 0 HD3 LYS A 29 -11.797 -14.165 -6.314 1.00 1.74 H new ATOM 0 HE2 LYS A 29 -11.912 -17.144 -5.776 1.00 2.11 H new ATOM 0 HE3 LYS A 29 -13.257 -16.102 -5.357 1.00 2.11 H new ATOM 0 HZ1 LYS A 29 -13.740 -16.810 -7.478 1.00 4.33 H new ATOM 0 HZ2 LYS A 29 -13.061 -15.278 -7.753 1.00 4.33 H new ATOM 0 HZ3 LYS A 29 -12.136 -16.677 -8.019 1.00 4.33 H new ATOM 437 N ARG A 30 -7.264 -15.185 -10.263 1.00 0.62 N ATOM 438 CA ARG A 30 -6.364 -15.660 -11.307 1.00 0.72 C ATOM 439 C ARG A 30 -4.911 -15.830 -10.825 1.00 0.67 C ATOM 440 O ARG A 30 -4.191 -16.680 -11.342 1.00 0.76 O ATOM 441 CB ARG A 30 -6.406 -14.660 -12.475 1.00 0.85 C ATOM 442 CG ARG A 30 -6.261 -15.331 -13.848 1.00 1.06 C ATOM 443 CD ARG A 30 -7.586 -15.976 -14.278 1.00 1.27 C ATOM 444 NE ARG A 30 -7.487 -16.576 -15.619 1.00 1.62 N ATOM 445 CZ ARG A 30 -8.507 -17.171 -16.262 1.00 1.98 C ATOM 446 NH1 ARG A 30 -9.702 -17.260 -15.668 1.00 2.82 N ATOM 447 NH2 ARG A 30 -8.331 -17.670 -17.491 1.00 2.37 N ATOM 0 H ARG A 30 -7.684 -14.279 -10.473 1.00 0.62 H new ATOM 0 HA ARG A 30 -6.705 -16.648 -11.615 1.00 0.72 H new ATOM 0 HB2 ARG A 30 -7.348 -14.112 -12.443 1.00 0.85 H new ATOM 0 HB3 ARG A 30 -5.607 -13.929 -12.348 1.00 0.85 H new ATOM 0 HG2 ARG A 30 -5.953 -14.593 -14.588 1.00 1.06 H new ATOM 0 HG3 ARG A 30 -5.478 -16.088 -13.808 1.00 1.06 H new ATOM 0 HD2 ARG A 30 -7.870 -16.742 -13.556 1.00 1.27 H new ATOM 0 HD3 ARG A 30 -8.376 -15.225 -14.272 1.00 1.27 H new ATOM 0 HE ARG A 30 -6.584 -16.538 -16.092 1.00 1.62 H new ATOM 0 HH11 ARG A 30 -9.836 -16.878 -14.732 1.00 2.82 H new ATOM 0 HH12 ARG A 30 -10.479 -17.710 -16.151 1.00 2.82 H new ATOM 0 HH21 ARG A 30 -7.420 -17.600 -17.944 1.00 2.37 H new ATOM 0 HH22 ARG A 30 -9.108 -18.120 -17.975 1.00 2.37 H new ATOM 461 N MET A 31 -4.447 -14.968 -9.913 1.00 0.56 N ATOM 462 CA MET A 31 -3.056 -14.918 -9.468 1.00 0.56 C ATOM 463 C MET A 31 -2.712 -16.139 -8.609 1.00 0.54 C ATOM 464 O MET A 31 -3.575 -16.633 -7.890 1.00 0.61 O ATOM 465 CB MET A 31 -2.824 -13.626 -8.674 1.00 0.57 C ATOM 466 CG MET A 31 -3.015 -12.342 -9.496 1.00 0.84 C ATOM 467 SD MET A 31 -1.545 -11.729 -10.367 1.00 1.08 S ATOM 468 CE MET A 31 -1.756 -12.456 -12.008 1.00 1.35 C ATOM 0 H MET A 31 -5.041 -14.275 -9.458 1.00 0.56 H new ATOM 0 HA MET A 31 -2.405 -14.930 -10.342 1.00 0.56 H new ATOM 0 HB2 MET A 31 -3.507 -13.606 -7.825 1.00 0.57 H new ATOM 0 HB3 MET A 31 -1.812 -13.638 -8.269 1.00 0.57 H new ATOM 0 HG2 MET A 31 -3.801 -12.518 -10.230 1.00 0.84 H new ATOM 0 HG3 MET A 31 -3.372 -11.557 -8.829 1.00 0.84 H new ATOM 0 HE1 MET A 31 -1.089 -11.961 -12.714 1.00 1.35 H new ATOM 0 HE2 MET A 31 -1.518 -13.519 -11.968 1.00 1.35 H new ATOM 0 HE3 MET A 31 -2.788 -12.327 -12.333 1.00 1.35 H new ATOM 478 N PRO A 32 -1.462 -16.626 -8.650 1.00 0.65 N ATOM 479 CA PRO A 32 -1.067 -17.818 -7.919 1.00 0.69 C ATOM 480 C PRO A 32 -1.042 -17.587 -6.406 1.00 0.65 C ATOM 481 O PRO A 32 -1.593 -18.396 -5.666 1.00 1.20 O ATOM 482 CB PRO A 32 0.299 -18.216 -8.482 1.00 0.90 C ATOM 483 CG PRO A 32 0.873 -16.900 -9.005 1.00 0.97 C ATOM 484 CD PRO A 32 -0.368 -16.143 -9.479 1.00 0.84 C ATOM 0 HA PRO A 32 -1.789 -18.624 -8.052 1.00 0.69 H new ATOM 0 HB2 PRO A 32 0.937 -18.654 -7.714 1.00 0.90 H new ATOM 0 HB3 PRO A 32 0.204 -18.956 -9.277 1.00 0.90 H new ATOM 0 HG2 PRO A 32 1.405 -16.354 -8.225 1.00 0.97 H new ATOM 0 HG3 PRO A 32 1.580 -17.064 -9.818 1.00 0.97 H new ATOM 0 HD2 PRO A 32 -0.237 -15.067 -9.367 1.00 0.84 H new ATOM 0 HD3 PRO A 32 -0.563 -16.332 -10.535 1.00 0.84 H new ATOM 492 N GLY A 33 -0.450 -16.487 -5.923 1.00 0.56 N ATOM 493 CA GLY A 33 -0.252 -16.293 -4.495 1.00 0.62 C ATOM 494 C GLY A 33 -1.497 -15.777 -3.791 1.00 0.54 C ATOM 495 O GLY A 33 -1.401 -15.376 -2.636 1.00 0.46 O ATOM 0 H GLY A 33 -0.103 -15.724 -6.505 1.00 0.56 H new ATOM 0 HA2 GLY A 33 0.050 -17.238 -4.043 1.00 0.62 H new ATOM 0 HA3 GLY A 33 0.566 -15.590 -4.339 1.00 0.62 H new ATOM 499 N VAL A 34 -2.643 -15.733 -4.476 1.00 0.81 N ATOM 500 CA VAL A 34 -3.895 -15.286 -3.895 1.00 0.77 C ATOM 501 C VAL A 34 -4.344 -16.289 -2.838 1.00 0.80 C ATOM 502 O VAL A 34 -4.434 -17.487 -3.095 1.00 1.24 O ATOM 503 CB VAL A 34 -4.932 -15.077 -5.014 1.00 1.09 C ATOM 504 CG1 VAL A 34 -5.447 -16.409 -5.579 1.00 2.60 C ATOM 505 CG2 VAL A 34 -6.100 -14.206 -4.532 1.00 2.35 C ATOM 0 H VAL A 34 -2.720 -16.010 -5.455 1.00 0.81 H new ATOM 0 HA VAL A 34 -3.774 -14.326 -3.393 1.00 0.77 H new ATOM 0 HB VAL A 34 -4.423 -14.553 -5.823 1.00 1.09 H new ATOM 0 HG11 VAL A 34 -6.176 -16.213 -6.365 1.00 2.60 H new ATOM 0 HG12 VAL A 34 -4.612 -16.976 -5.991 1.00 2.60 H new ATOM 0 HG13 VAL A 34 -5.919 -16.984 -4.782 1.00 2.60 H new ATOM 0 HG21 VAL A 34 -6.816 -14.076 -5.344 1.00 2.35 H new ATOM 0 HG22 VAL A 34 -6.592 -14.691 -3.689 1.00 2.35 H new ATOM 0 HG23 VAL A 34 -5.723 -13.232 -4.221 1.00 2.35 H new ATOM 515 N THR A 35 -4.627 -15.789 -1.641 1.00 0.53 N ATOM 516 CA THR A 35 -5.170 -16.577 -0.558 1.00 0.66 C ATOM 517 C THR A 35 -6.684 -16.423 -0.603 1.00 0.61 C ATOM 518 O THR A 35 -7.409 -17.410 -0.711 1.00 0.75 O ATOM 519 CB THR A 35 -4.595 -16.051 0.757 1.00 0.86 C ATOM 520 OG1 THR A 35 -3.198 -15.890 0.650 1.00 1.25 O ATOM 521 CG2 THR A 35 -4.933 -16.967 1.935 1.00 1.08 C ATOM 0 H THR A 35 -4.481 -14.809 -1.399 1.00 0.53 H new ATOM 0 HA THR A 35 -4.912 -17.632 -0.645 1.00 0.66 H new ATOM 0 HB THR A 35 -5.055 -15.082 0.951 1.00 0.86 H new ATOM 0 HG1 THR A 35 -2.762 -16.766 0.706 1.00 1.25 H new ATOM 0 HG21 THR A 35 -4.505 -16.556 2.850 1.00 1.08 H new ATOM 0 HG22 THR A 35 -6.015 -17.039 2.041 1.00 1.08 H new ATOM 0 HG23 THR A 35 -4.519 -17.959 1.755 1.00 1.08 H new ATOM 529 N ASP A 36 -7.151 -15.173 -0.517 1.00 0.55 N ATOM 530 CA ASP A 36 -8.563 -14.846 -0.447 1.00 0.68 C ATOM 531 C ASP A 36 -8.731 -13.411 -0.947 1.00 0.66 C ATOM 532 O ASP A 36 -7.959 -12.539 -0.554 1.00 0.86 O ATOM 533 CB ASP A 36 -9.045 -15.028 1.001 1.00 0.77 C ATOM 534 CG ASP A 36 -10.556 -15.148 1.092 1.00 1.03 C ATOM 535 OD1 ASP A 36 -11.222 -14.755 0.110 1.00 1.39 O ATOM 536 OD2 ASP A 36 -11.024 -15.637 2.139 1.00 2.06 O ATOM 0 H ASP A 36 -6.543 -14.354 -0.494 1.00 0.55 H new ATOM 0 HA ASP A 36 -9.169 -15.502 -1.072 1.00 0.68 H new ATOM 0 HB2 ASP A 36 -8.585 -15.920 1.426 1.00 0.77 H new ATOM 0 HB3 ASP A 36 -8.713 -14.181 1.602 1.00 0.77 H new ATOM 541 N ALA A 37 -9.664 -13.161 -1.865 1.00 0.71 N ATOM 542 CA ALA A 37 -9.900 -11.840 -2.443 1.00 0.64 C ATOM 543 C ALA A 37 -11.283 -11.396 -1.992 1.00 0.55 C ATOM 544 O ALA A 37 -12.256 -12.079 -2.308 1.00 0.65 O ATOM 545 CB ALA A 37 -9.809 -11.904 -3.975 1.00 0.78 C ATOM 0 H ALA A 37 -10.286 -13.881 -2.233 1.00 0.71 H new ATOM 0 HA ALA A 37 -9.148 -11.125 -2.109 1.00 0.64 H new ATOM 0 HB1 ALA A 37 -9.987 -10.913 -4.392 1.00 0.78 H new ATOM 0 HB2 ALA A 37 -8.816 -12.247 -4.266 1.00 0.78 H new ATOM 0 HB3 ALA A 37 -10.559 -12.597 -4.355 1.00 0.78 H new ATOM 551 N ASN A 38 -11.380 -10.312 -1.216 1.00 0.46 N ATOM 552 CA ASN A 38 -12.646 -9.861 -0.651 1.00 0.46 C ATOM 553 C ASN A 38 -12.796 -8.362 -0.874 1.00 0.42 C ATOM 554 O ASN A 38 -11.828 -7.655 -1.159 1.00 0.43 O ATOM 555 CB ASN A 38 -12.710 -10.160 0.859 1.00 0.52 C ATOM 556 CG ASN A 38 -12.364 -11.595 1.253 1.00 0.74 C ATOM 557 OD1 ASN A 38 -11.801 -11.813 2.321 1.00 1.99 O ATOM 558 ND2 ASN A 38 -12.676 -12.568 0.405 1.00 1.22 N ATOM 0 H ASN A 38 -10.583 -9.727 -0.965 1.00 0.46 H new ATOM 0 HA ASN A 38 -13.456 -10.396 -1.147 1.00 0.46 H new ATOM 0 HB2 ASN A 38 -12.029 -9.484 1.376 1.00 0.52 H new ATOM 0 HB3 ASN A 38 -13.715 -9.935 1.216 1.00 0.52 H new ATOM 0 HD21 ASN A 38 -12.447 -13.536 0.633 1.00 1.22 H new ATOM 0 HD22 ASN A 38 -13.144 -12.348 -0.474 1.00 1.22 H new ATOM 565 N VAL A 39 -14.016 -7.857 -0.711 1.00 0.55 N ATOM 566 CA VAL A 39 -14.298 -6.442 -0.824 1.00 0.54 C ATOM 567 C VAL A 39 -15.548 -6.108 -0.030 1.00 0.68 C ATOM 568 O VAL A 39 -16.658 -6.520 -0.364 1.00 0.81 O ATOM 569 CB VAL A 39 -14.335 -6.011 -2.301 1.00 0.61 C ATOM 570 CG1 VAL A 39 -15.285 -6.839 -3.173 1.00 0.85 C ATOM 571 CG2 VAL A 39 -14.669 -4.525 -2.448 1.00 0.66 C ATOM 0 H VAL A 39 -14.835 -8.426 -0.496 1.00 0.55 H new ATOM 0 HA VAL A 39 -13.494 -5.853 -0.382 1.00 0.54 H new ATOM 0 HB VAL A 39 -13.325 -6.198 -2.666 1.00 0.61 H new ATOM 0 HG11 VAL A 39 -15.252 -6.471 -4.198 1.00 0.85 H new ATOM 0 HG12 VAL A 39 -14.979 -7.885 -3.153 1.00 0.85 H new ATOM 0 HG13 VAL A 39 -16.301 -6.751 -2.789 1.00 0.85 H new ATOM 0 HG21 VAL A 39 -14.686 -4.259 -3.505 1.00 0.66 H new ATOM 0 HG22 VAL A 39 -15.646 -4.327 -2.008 1.00 0.66 H new ATOM 0 HG23 VAL A 39 -13.913 -3.930 -1.936 1.00 0.66 H new ATOM 581 N ASN A 40 -15.369 -5.291 1.005 1.00 0.71 N ATOM 582 CA ASN A 40 -16.471 -4.702 1.732 1.00 0.81 C ATOM 583 C ASN A 40 -16.913 -3.530 0.875 1.00 0.75 C ATOM 584 O ASN A 40 -16.670 -2.372 1.203 1.00 0.71 O ATOM 585 CB ASN A 40 -16.026 -4.241 3.128 1.00 0.87 C ATOM 586 CG ASN A 40 -16.000 -5.375 4.145 1.00 1.22 C ATOM 587 OD1 ASN A 40 -15.537 -6.474 3.863 1.00 1.72 O ATOM 588 ND2 ASN A 40 -16.504 -5.115 5.348 1.00 1.72 N ATOM 0 H ASN A 40 -14.450 -5.023 1.358 1.00 0.71 H new ATOM 0 HA ASN A 40 -17.282 -5.411 1.901 1.00 0.81 H new ATOM 0 HB2 ASN A 40 -15.032 -3.798 3.059 1.00 0.87 H new ATOM 0 HB3 ASN A 40 -16.700 -3.460 3.479 1.00 0.87 H new ATOM 0 HD21 ASN A 40 -16.512 -5.840 6.065 1.00 1.72 H new ATOM 0 HD22 ASN A 40 -16.882 -4.190 5.553 1.00 1.72 H new ATOM 595 N LEU A 41 -17.587 -3.847 -0.234 1.00 0.80 N ATOM 596 CA LEU A 41 -18.247 -2.863 -1.082 1.00 0.80 C ATOM 597 C LEU A 41 -19.213 -1.999 -0.274 1.00 0.80 C ATOM 598 O LEU A 41 -19.425 -0.834 -0.592 1.00 0.82 O ATOM 599 CB LEU A 41 -18.876 -3.535 -2.311 1.00 0.95 C ATOM 600 CG LEU A 41 -19.910 -4.639 -2.055 1.00 1.31 C ATOM 601 CD1 LEU A 41 -21.282 -4.094 -1.634 1.00 1.50 C ATOM 602 CD2 LEU A 41 -20.053 -5.471 -3.335 1.00 1.64 C ATOM 0 H LEU A 41 -17.688 -4.806 -0.568 1.00 0.80 H new ATOM 0 HA LEU A 41 -17.502 -2.171 -1.475 1.00 0.80 H new ATOM 0 HB2 LEU A 41 -19.351 -2.761 -2.913 1.00 0.95 H new ATOM 0 HB3 LEU A 41 -18.072 -3.958 -2.913 1.00 0.95 H new ATOM 0 HG LEU A 41 -19.552 -5.247 -1.224 1.00 1.31 H new ATOM 0 HD11 LEU A 41 -21.968 -4.925 -1.468 1.00 1.50 H new ATOM 0 HD12 LEU A 41 -21.178 -3.519 -0.714 1.00 1.50 H new ATOM 0 HD13 LEU A 41 -21.675 -3.450 -2.421 1.00 1.50 H new ATOM 0 HD21 LEU A 41 -20.785 -6.263 -3.174 1.00 1.64 H new ATOM 0 HD22 LEU A 41 -20.386 -4.829 -4.151 1.00 1.64 H new ATOM 0 HD23 LEU A 41 -19.090 -5.913 -3.591 1.00 1.64 H new ATOM 614 N ALA A 42 -19.713 -2.541 0.837 1.00 0.84 N ATOM 615 CA ALA A 42 -20.552 -1.839 1.788 1.00 0.90 C ATOM 616 C ALA A 42 -19.856 -0.591 2.329 1.00 0.83 C ATOM 617 O ALA A 42 -20.525 0.386 2.651 1.00 0.89 O ATOM 618 CB ALA A 42 -20.927 -2.788 2.929 1.00 1.02 C ATOM 0 H ALA A 42 -19.536 -3.510 1.101 1.00 0.84 H new ATOM 0 HA ALA A 42 -21.458 -1.509 1.279 1.00 0.90 H new ATOM 0 HB1 ALA A 42 -21.558 -2.263 3.646 1.00 1.02 H new ATOM 0 HB2 ALA A 42 -21.469 -3.644 2.527 1.00 1.02 H new ATOM 0 HB3 ALA A 42 -20.021 -3.134 3.427 1.00 1.02 H new ATOM 624 N THR A 43 -18.523 -0.628 2.435 1.00 0.72 N ATOM 625 CA THR A 43 -17.712 0.527 2.783 1.00 0.68 C ATOM 626 C THR A 43 -16.707 0.829 1.662 1.00 0.62 C ATOM 627 O THR A 43 -15.675 1.444 1.926 1.00 0.69 O ATOM 628 CB THR A 43 -17.022 0.268 4.134 1.00 0.72 C ATOM 629 OG1 THR A 43 -16.134 -0.832 4.050 1.00 0.71 O ATOM 630 CG2 THR A 43 -18.052 -0.028 5.233 1.00 0.88 C ATOM 0 H THR A 43 -17.977 -1.475 2.278 1.00 0.72 H new ATOM 0 HA THR A 43 -18.341 1.411 2.889 1.00 0.68 H new ATOM 0 HB THR A 43 -16.467 1.172 4.384 1.00 0.72 H new ATOM 0 HG1 THR A 43 -15.273 -0.531 3.691 1.00 0.71 H new ATOM 0 HG21 THR A 43 -17.536 -0.207 6.176 1.00 0.88 H new ATOM 0 HG22 THR A 43 -18.723 0.824 5.342 1.00 0.88 H new ATOM 0 HG23 THR A 43 -18.630 -0.912 4.962 1.00 0.88 H new ATOM 638 N GLU A 44 -16.976 0.375 0.428 1.00 0.60 N ATOM 639 CA GLU A 44 -16.073 0.504 -0.717 1.00 0.57 C ATOM 640 C GLU A 44 -14.607 0.211 -0.352 1.00 0.54 C ATOM 641 O GLU A 44 -13.712 0.982 -0.696 1.00 0.70 O ATOM 642 CB GLU A 44 -16.245 1.885 -1.369 1.00 0.65 C ATOM 643 CG GLU A 44 -17.618 2.039 -2.033 1.00 0.85 C ATOM 644 CD GLU A 44 -17.716 3.379 -2.752 1.00 0.97 C ATOM 645 OE1 GLU A 44 -18.117 4.354 -2.082 1.00 1.59 O ATOM 646 OE2 GLU A 44 -17.365 3.407 -3.952 1.00 1.73 O ATOM 0 H GLU A 44 -17.848 -0.102 0.198 1.00 0.60 H new ATOM 0 HA GLU A 44 -16.348 -0.257 -1.447 1.00 0.57 H new ATOM 0 HB2 GLU A 44 -16.118 2.661 -0.614 1.00 0.65 H new ATOM 0 HB3 GLU A 44 -15.463 2.034 -2.114 1.00 0.65 H new ATOM 0 HG2 GLU A 44 -17.779 1.227 -2.742 1.00 0.85 H new ATOM 0 HG3 GLU A 44 -18.403 1.965 -1.280 1.00 0.85 H new ATOM 653 N THR A 45 -14.351 -0.902 0.348 1.00 0.46 N ATOM 654 CA THR A 45 -13.042 -1.230 0.886 1.00 0.45 C ATOM 655 C THR A 45 -12.645 -2.605 0.344 1.00 0.40 C ATOM 656 O THR A 45 -13.237 -3.606 0.744 1.00 0.46 O ATOM 657 CB THR A 45 -13.142 -1.233 2.418 1.00 0.61 C ATOM 658 OG1 THR A 45 -13.655 -0.016 2.930 1.00 0.96 O ATOM 659 CG2 THR A 45 -11.773 -1.494 3.037 1.00 0.63 C ATOM 0 H THR A 45 -15.062 -1.603 0.554 1.00 0.46 H new ATOM 0 HA THR A 45 -12.283 -0.505 0.592 1.00 0.45 H new ATOM 0 HB THR A 45 -13.836 -2.030 2.684 1.00 0.61 H new ATOM 0 HG1 THR A 45 -14.312 0.351 2.303 1.00 0.96 H new ATOM 0 HG21 THR A 45 -11.859 -1.493 4.124 1.00 0.63 H new ATOM 0 HG22 THR A 45 -11.401 -2.463 2.703 1.00 0.63 H new ATOM 0 HG23 THR A 45 -11.079 -0.713 2.727 1.00 0.63 H new ATOM 667 N VAL A 46 -11.671 -2.668 -0.566 1.00 0.36 N ATOM 668 CA VAL A 46 -11.165 -3.912 -1.118 1.00 0.36 C ATOM 669 C VAL A 46 -10.119 -4.476 -0.154 1.00 0.42 C ATOM 670 O VAL A 46 -9.204 -3.762 0.254 1.00 0.46 O ATOM 671 CB VAL A 46 -10.649 -3.691 -2.553 1.00 0.35 C ATOM 672 CG1 VAL A 46 -9.555 -2.620 -2.684 1.00 0.39 C ATOM 673 CG2 VAL A 46 -10.118 -5.001 -3.135 1.00 0.41 C ATOM 0 H VAL A 46 -11.209 -1.840 -0.941 1.00 0.36 H new ATOM 0 HA VAL A 46 -11.955 -4.657 -1.211 1.00 0.36 H new ATOM 0 HB VAL A 46 -11.514 -3.329 -3.109 1.00 0.35 H new ATOM 0 HG11 VAL A 46 -9.254 -2.534 -3.728 1.00 0.39 H new ATOM 0 HG12 VAL A 46 -9.941 -1.661 -2.337 1.00 0.39 H new ATOM 0 HG13 VAL A 46 -8.693 -2.904 -2.080 1.00 0.39 H new ATOM 0 HG21 VAL A 46 -9.757 -4.829 -4.149 1.00 0.41 H new ATOM 0 HG22 VAL A 46 -9.300 -5.369 -2.516 1.00 0.41 H new ATOM 0 HG23 VAL A 46 -10.918 -5.741 -3.155 1.00 0.41 H new ATOM 683 N ASN A 47 -10.275 -5.748 0.226 1.00 0.43 N ATOM 684 CA ASN A 47 -9.408 -6.433 1.174 1.00 0.50 C ATOM 685 C ASN A 47 -8.871 -7.680 0.481 1.00 0.45 C ATOM 686 O ASN A 47 -9.619 -8.631 0.259 1.00 0.46 O ATOM 687 CB ASN A 47 -10.190 -6.849 2.428 1.00 0.68 C ATOM 688 CG ASN A 47 -10.594 -5.683 3.325 1.00 1.46 C ATOM 689 OD1 ASN A 47 -10.102 -4.570 3.190 1.00 2.65 O ATOM 690 ND2 ASN A 47 -11.493 -5.929 4.273 1.00 2.12 N ATOM 0 H ASN A 47 -11.027 -6.339 -0.129 1.00 0.43 H new ATOM 0 HA ASN A 47 -8.601 -5.769 1.484 1.00 0.50 H new ATOM 0 HB2 ASN A 47 -11.088 -7.386 2.122 1.00 0.68 H new ATOM 0 HB3 ASN A 47 -9.584 -7.546 3.007 1.00 0.68 H new ATOM 0 HD21 ASN A 47 -11.785 -5.183 4.905 1.00 2.12 H new ATOM 0 HD22 ASN A 47 -11.891 -6.863 4.369 1.00 2.12 H new ATOM 697 N VAL A 48 -7.587 -7.682 0.122 1.00 0.45 N ATOM 698 CA VAL A 48 -6.988 -8.782 -0.626 1.00 0.42 C ATOM 699 C VAL A 48 -5.938 -9.459 0.240 1.00 0.44 C ATOM 700 O VAL A 48 -5.076 -8.781 0.801 1.00 0.45 O ATOM 701 CB VAL A 48 -6.388 -8.312 -1.959 1.00 0.40 C ATOM 702 CG1 VAL A 48 -6.206 -9.527 -2.876 1.00 0.39 C ATOM 703 CG2 VAL A 48 -7.275 -7.275 -2.654 1.00 0.42 C ATOM 0 H VAL A 48 -6.939 -6.926 0.341 1.00 0.45 H new ATOM 0 HA VAL A 48 -7.770 -9.499 -0.876 1.00 0.42 H new ATOM 0 HB VAL A 48 -5.429 -7.837 -1.752 1.00 0.40 H new ATOM 0 HG11 VAL A 48 -5.780 -9.205 -3.826 1.00 0.39 H new ATOM 0 HG12 VAL A 48 -5.535 -10.243 -2.402 1.00 0.39 H new ATOM 0 HG13 VAL A 48 -7.173 -9.998 -3.053 1.00 0.39 H new ATOM 0 HG21 VAL A 48 -6.812 -6.971 -3.593 1.00 0.42 H new ATOM 0 HG22 VAL A 48 -8.254 -7.710 -2.856 1.00 0.42 H new ATOM 0 HG23 VAL A 48 -7.392 -6.405 -2.008 1.00 0.42 H new ATOM 713 N ILE A 49 -6.017 -10.787 0.335 1.00 0.48 N ATOM 714 CA ILE A 49 -5.133 -11.620 1.120 1.00 0.53 C ATOM 715 C ILE A 49 -4.356 -12.500 0.138 1.00 0.49 C ATOM 716 O ILE A 49 -4.965 -13.187 -0.687 1.00 0.47 O ATOM 717 CB ILE A 49 -5.942 -12.416 2.166 1.00 0.61 C ATOM 718 CG1 ILE A 49 -6.782 -11.459 3.037 1.00 0.70 C ATOM 719 CG2 ILE A 49 -5.032 -13.264 3.071 1.00 0.70 C ATOM 720 CD1 ILE A 49 -7.758 -12.178 3.971 1.00 1.11 C ATOM 0 H ILE A 49 -6.731 -11.324 -0.157 1.00 0.48 H new ATOM 0 HA ILE A 49 -4.418 -11.034 1.697 1.00 0.53 H new ATOM 0 HB ILE A 49 -6.601 -13.090 1.618 1.00 0.61 H new ATOM 0 HG12 ILE A 49 -6.111 -10.840 3.633 1.00 0.70 H new ATOM 0 HG13 ILE A 49 -7.342 -10.787 2.387 1.00 0.70 H new ATOM 0 HG21 ILE A 49 -5.642 -13.808 3.793 1.00 0.70 H new ATOM 0 HG22 ILE A 49 -4.472 -13.973 2.462 1.00 0.70 H new ATOM 0 HG23 ILE A 49 -4.337 -12.613 3.601 1.00 0.70 H new ATOM 0 HD11 ILE A 49 -8.314 -11.442 4.552 1.00 1.11 H new ATOM 0 HD12 ILE A 49 -8.453 -12.775 3.381 1.00 1.11 H new ATOM 0 HD13 ILE A 49 -7.203 -12.829 4.646 1.00 1.11 H new ATOM 732 N TYR A 50 -3.022 -12.422 0.169 1.00 0.51 N ATOM 733 CA TYR A 50 -2.130 -13.099 -0.771 1.00 0.45 C ATOM 734 C TYR A 50 -0.748 -13.249 -0.136 1.00 0.53 C ATOM 735 O TYR A 50 -0.482 -12.548 0.842 1.00 0.61 O ATOM 736 CB TYR A 50 -2.048 -12.301 -2.081 1.00 0.41 C ATOM 737 CG TYR A 50 -1.581 -10.869 -1.910 1.00 0.45 C ATOM 738 CD1 TYR A 50 -2.503 -9.883 -1.520 1.00 1.82 C ATOM 739 CD2 TYR A 50 -0.242 -10.515 -2.159 1.00 1.56 C ATOM 740 CE1 TYR A 50 -2.098 -8.547 -1.399 1.00 1.83 C ATOM 741 CE2 TYR A 50 0.165 -9.175 -2.033 1.00 1.57 C ATOM 742 CZ TYR A 50 -0.767 -8.193 -1.661 1.00 0.51 C ATOM 743 OH TYR A 50 -0.350 -6.915 -1.416 1.00 0.60 O ATOM 0 H TYR A 50 -2.522 -11.872 0.867 1.00 0.51 H new ATOM 0 HA TYR A 50 -2.520 -14.091 -1.002 1.00 0.45 H new ATOM 0 HB2 TYR A 50 -1.369 -12.813 -2.763 1.00 0.41 H new ATOM 0 HB3 TYR A 50 -3.031 -12.297 -2.552 1.00 0.41 H new ATOM 0 HD1 TYR A 50 -3.527 -10.156 -1.313 1.00 1.82 H new ATOM 0 HD2 TYR A 50 0.473 -11.272 -2.447 1.00 1.56 H new ATOM 0 HE1 TYR A 50 -2.810 -7.791 -1.104 1.00 1.83 H new ATOM 0 HE2 TYR A 50 1.193 -8.902 -2.222 1.00 1.57 H new ATOM 0 HH TYR A 50 -1.010 -6.458 -0.853 1.00 0.60 H new ATOM 753 N ASP A 51 0.152 -14.084 -0.683 1.00 0.59 N ATOM 754 CA ASP A 51 1.521 -14.165 -0.153 1.00 0.73 C ATOM 755 C ASP A 51 2.402 -13.106 -0.820 1.00 0.67 C ATOM 756 O ASP A 51 2.409 -13.012 -2.052 1.00 0.65 O ATOM 757 CB ASP A 51 2.151 -15.553 -0.326 1.00 1.06 C ATOM 758 CG ASP A 51 3.109 -15.807 0.836 1.00 1.52 C ATOM 759 OD1 ASP A 51 2.618 -16.301 1.879 1.00 2.68 O ATOM 760 OD2 ASP A 51 4.284 -15.399 0.724 1.00 2.18 O ATOM 0 H ASP A 51 -0.038 -14.699 -1.474 1.00 0.59 H new ATOM 0 HA ASP A 51 1.456 -13.979 0.919 1.00 0.73 H new ATOM 0 HB2 ASP A 51 1.376 -16.319 -0.350 1.00 1.06 H new ATOM 0 HB3 ASP A 51 2.685 -15.610 -1.275 1.00 1.06 H new ATOM 765 N PRO A 52 3.173 -12.308 -0.063 1.00 0.73 N ATOM 766 CA PRO A 52 4.072 -11.306 -0.623 1.00 0.70 C ATOM 767 C PRO A 52 5.337 -11.933 -1.228 1.00 0.74 C ATOM 768 O PRO A 52 6.441 -11.453 -0.982 1.00 0.87 O ATOM 769 CB PRO A 52 4.395 -10.371 0.549 1.00 0.84 C ATOM 770 CG PRO A 52 4.287 -11.280 1.767 1.00 1.00 C ATOM 771 CD PRO A 52 3.194 -12.275 1.389 1.00 0.92 C ATOM 0 HA PRO A 52 3.612 -10.771 -1.454 1.00 0.70 H new ATOM 0 HB2 PRO A 52 5.392 -9.940 0.456 1.00 0.84 H new ATOM 0 HB3 PRO A 52 3.693 -9.539 0.605 1.00 0.84 H new ATOM 0 HG2 PRO A 52 5.231 -11.784 1.974 1.00 1.00 H new ATOM 0 HG3 PRO A 52 4.023 -10.718 2.663 1.00 1.00 H new ATOM 0 HD2 PRO A 52 3.405 -13.262 1.799 1.00 0.92 H new ATOM 0 HD3 PRO A 52 2.228 -11.964 1.787 1.00 0.92 H new ATOM 779 N ALA A 53 5.185 -12.978 -2.047 1.00 0.71 N ATOM 780 CA ALA A 53 6.320 -13.640 -2.692 1.00 0.75 C ATOM 781 C ALA A 53 6.011 -14.285 -4.046 1.00 0.77 C ATOM 782 O ALA A 53 6.894 -14.905 -4.633 1.00 1.03 O ATOM 783 CB ALA A 53 6.943 -14.653 -1.726 1.00 0.84 C ATOM 0 H ALA A 53 4.279 -13.385 -2.279 1.00 0.71 H new ATOM 0 HA ALA A 53 7.035 -12.851 -2.926 1.00 0.75 H new ATOM 0 HB1 ALA A 53 7.788 -15.144 -2.209 1.00 0.84 H new ATOM 0 HB2 ALA A 53 7.287 -14.137 -0.830 1.00 0.84 H new ATOM 0 HB3 ALA A 53 6.198 -15.399 -1.451 1.00 0.84 H new ATOM 789 N GLU A 54 4.793 -14.104 -4.559 1.00 0.70 N ATOM 790 CA GLU A 54 4.366 -14.592 -5.859 1.00 0.73 C ATOM 791 C GLU A 54 3.708 -13.485 -6.688 1.00 0.76 C ATOM 792 O GLU A 54 3.808 -13.491 -7.912 1.00 0.88 O ATOM 793 CB GLU A 54 3.357 -15.718 -5.651 1.00 0.67 C ATOM 794 CG GLU A 54 3.976 -16.964 -5.010 1.00 0.70 C ATOM 795 CD GLU A 54 3.046 -18.157 -5.173 1.00 0.74 C ATOM 796 OE1 GLU A 54 3.009 -18.685 -6.305 1.00 1.78 O ATOM 797 OE2 GLU A 54 2.372 -18.497 -4.179 1.00 1.69 O ATOM 0 H GLU A 54 4.060 -13.598 -4.062 1.00 0.70 H new ATOM 0 HA GLU A 54 5.244 -14.946 -6.399 1.00 0.73 H new ATOM 0 HB2 GLU A 54 2.543 -15.358 -5.021 1.00 0.67 H new ATOM 0 HB3 GLU A 54 2.920 -15.989 -6.612 1.00 0.67 H new ATOM 0 HG2 GLU A 54 4.939 -17.179 -5.472 1.00 0.70 H new ATOM 0 HG3 GLU A 54 4.164 -16.782 -3.952 1.00 0.70 H new ATOM 804 N THR A 55 2.971 -12.578 -6.038 1.00 0.69 N ATOM 805 CA THR A 55 1.974 -11.749 -6.664 1.00 0.74 C ATOM 806 C THR A 55 2.421 -10.296 -6.506 1.00 0.84 C ATOM 807 O THR A 55 3.037 -9.742 -7.413 1.00 0.98 O ATOM 808 CB THR A 55 0.670 -12.136 -5.962 1.00 0.68 C ATOM 809 OG1 THR A 55 0.342 -13.468 -6.314 1.00 0.71 O ATOM 810 CG2 THR A 55 -0.500 -11.246 -6.311 1.00 0.85 C ATOM 0 H THR A 55 3.065 -12.407 -5.037 1.00 0.69 H new ATOM 0 HA THR A 55 1.831 -11.880 -7.737 1.00 0.74 H new ATOM 0 HB THR A 55 0.846 -12.024 -4.892 1.00 0.68 H new ATOM 0 HG1 THR A 55 -0.491 -13.728 -5.869 1.00 0.71 H new ATOM 0 HG21 THR A 55 -1.387 -11.584 -5.775 1.00 0.85 H new ATOM 0 HG22 THR A 55 -0.273 -10.219 -6.026 1.00 0.85 H new ATOM 0 HG23 THR A 55 -0.685 -11.293 -7.384 1.00 0.85 H new ATOM 818 N GLY A 56 2.173 -9.692 -5.340 1.00 0.80 N ATOM 819 CA GLY A 56 2.746 -8.412 -4.981 1.00 0.88 C ATOM 820 C GLY A 56 1.686 -7.327 -5.075 1.00 0.83 C ATOM 821 O GLY A 56 1.004 -7.203 -6.088 1.00 0.81 O ATOM 0 H GLY A 56 1.565 -10.087 -4.622 1.00 0.80 H new ATOM 0 HA2 GLY A 56 3.147 -8.454 -3.968 1.00 0.88 H new ATOM 0 HA3 GLY A 56 3.579 -8.178 -5.644 1.00 0.88 H new ATOM 825 N THR A 57 1.573 -6.533 -4.009 1.00 0.83 N ATOM 826 CA THR A 57 0.746 -5.326 -3.920 1.00 0.78 C ATOM 827 C THR A 57 0.667 -4.575 -5.258 1.00 0.71 C ATOM 828 O THR A 57 -0.418 -4.249 -5.739 1.00 0.66 O ATOM 829 CB THR A 57 1.242 -4.434 -2.761 1.00 0.78 C ATOM 830 OG1 THR A 57 0.526 -3.225 -2.722 1.00 0.97 O ATOM 831 CG2 THR A 57 2.746 -4.149 -2.782 1.00 0.72 C ATOM 0 H THR A 57 2.079 -6.722 -3.143 1.00 0.83 H new ATOM 0 HA THR A 57 -0.278 -5.625 -3.698 1.00 0.78 H new ATOM 0 HB THR A 57 1.055 -5.011 -1.855 1.00 0.78 H new ATOM 0 HG1 THR A 57 1.154 -2.473 -2.708 1.00 0.97 H new ATOM 0 HG21 THR A 57 3.008 -3.516 -1.934 1.00 0.72 H new ATOM 0 HG22 THR A 57 3.295 -5.088 -2.718 1.00 0.72 H new ATOM 0 HG23 THR A 57 3.007 -3.639 -3.709 1.00 0.72 H new ATOM 839 N ALA A 58 1.822 -4.358 -5.890 1.00 0.71 N ATOM 840 CA ALA A 58 1.900 -3.646 -7.153 1.00 0.69 C ATOM 841 C ALA A 58 1.126 -4.378 -8.251 1.00 0.65 C ATOM 842 O ALA A 58 0.423 -3.748 -9.028 1.00 0.61 O ATOM 843 CB ALA A 58 3.366 -3.445 -7.542 1.00 0.77 C ATOM 0 H ALA A 58 2.725 -4.673 -5.536 1.00 0.71 H new ATOM 0 HA ALA A 58 1.434 -2.668 -7.034 1.00 0.69 H new ATOM 0 HB1 ALA A 58 3.421 -2.910 -8.490 1.00 0.77 H new ATOM 0 HB2 ALA A 58 3.871 -2.866 -6.769 1.00 0.77 H new ATOM 0 HB3 ALA A 58 3.852 -4.415 -7.644 1.00 0.77 H new ATOM 849 N ALA A 59 1.209 -5.708 -8.319 1.00 0.67 N ATOM 850 CA ALA A 59 0.461 -6.465 -9.311 1.00 0.65 C ATOM 851 C ALA A 59 -1.035 -6.442 -8.995 1.00 0.59 C ATOM 852 O ALA A 59 -1.865 -6.347 -9.896 1.00 0.59 O ATOM 853 CB ALA A 59 0.968 -7.899 -9.360 1.00 0.69 C ATOM 0 H ALA A 59 1.786 -6.277 -7.699 1.00 0.67 H new ATOM 0 HA ALA A 59 0.610 -6.002 -10.286 1.00 0.65 H new ATOM 0 HB1 ALA A 59 0.403 -8.459 -10.105 1.00 0.69 H new ATOM 0 HB2 ALA A 59 2.025 -7.902 -9.628 1.00 0.69 H new ATOM 0 HB3 ALA A 59 0.840 -8.364 -8.382 1.00 0.69 H new ATOM 859 N ILE A 60 -1.388 -6.538 -7.709 1.00 0.57 N ATOM 860 CA ILE A 60 -2.782 -6.484 -7.269 1.00 0.54 C ATOM 861 C ILE A 60 -3.377 -5.157 -7.768 1.00 0.52 C ATOM 862 O ILE A 60 -4.407 -5.140 -8.447 1.00 0.53 O ATOM 863 CB ILE A 60 -2.876 -6.607 -5.732 1.00 0.58 C ATOM 864 CG1 ILE A 60 -2.031 -7.733 -5.099 1.00 0.71 C ATOM 865 CG2 ILE A 60 -4.284 -6.566 -5.133 1.00 0.56 C ATOM 866 CD1 ILE A 60 -2.764 -9.027 -4.769 1.00 0.86 C ATOM 0 H ILE A 60 -0.718 -6.655 -6.949 1.00 0.57 H new ATOM 0 HA ILE A 60 -3.347 -7.319 -7.683 1.00 0.54 H new ATOM 0 HB ILE A 60 -2.406 -5.668 -5.440 1.00 0.58 H new ATOM 0 HG12 ILE A 60 -1.212 -7.968 -5.778 1.00 0.71 H new ATOM 0 HG13 ILE A 60 -1.584 -7.350 -4.181 1.00 0.71 H new ATOM 0 HG21 ILE A 60 -4.221 -6.661 -4.049 1.00 0.56 H new ATOM 0 HG22 ILE A 60 -4.760 -5.619 -5.387 1.00 0.56 H new ATOM 0 HG23 ILE A 60 -4.875 -7.389 -5.536 1.00 0.56 H new ATOM 0 HD11 ILE A 60 -2.065 -9.739 -4.330 1.00 0.86 H new ATOM 0 HD12 ILE A 60 -3.565 -8.821 -4.059 1.00 0.86 H new ATOM 0 HD13 ILE A 60 -3.187 -9.448 -5.681 1.00 0.86 H new ATOM 878 N GLN A 61 -2.703 -4.040 -7.465 1.00 0.53 N ATOM 879 CA GLN A 61 -3.158 -2.729 -7.907 1.00 0.53 C ATOM 880 C GLN A 61 -3.111 -2.630 -9.437 1.00 0.54 C ATOM 881 O GLN A 61 -4.051 -2.115 -10.041 1.00 0.56 O ATOM 882 CB GLN A 61 -2.472 -1.591 -7.117 1.00 0.63 C ATOM 883 CG GLN A 61 -1.138 -1.047 -7.645 1.00 0.78 C ATOM 884 CD GLN A 61 -1.298 -0.099 -8.821 1.00 1.43 C ATOM 885 OE1 GLN A 61 -0.996 -0.450 -9.955 1.00 3.01 O ATOM 886 NE2 GLN A 61 -1.778 1.102 -8.554 1.00 1.30 N ATOM 0 H GLN A 61 -1.843 -4.025 -6.916 1.00 0.53 H new ATOM 0 HA GLN A 61 -4.212 -2.596 -7.662 1.00 0.53 H new ATOM 0 HB2 GLN A 61 -3.172 -0.757 -7.057 1.00 0.63 H new ATOM 0 HB3 GLN A 61 -2.309 -1.943 -6.099 1.00 0.63 H new ATOM 0 HG2 GLN A 61 -0.620 -0.529 -6.838 1.00 0.78 H new ATOM 0 HG3 GLN A 61 -0.506 -1.883 -7.945 1.00 0.78 H new ATOM 0 HE21 GLN A 61 -2.017 1.354 -7.595 1.00 1.30 H new ATOM 0 HE22 GLN A 61 -1.910 1.778 -9.307 1.00 1.30 H new ATOM 895 N GLU A 62 -2.078 -3.196 -10.077 1.00 0.57 N ATOM 896 CA GLU A 62 -1.975 -3.205 -11.532 1.00 0.61 C ATOM 897 C GLU A 62 -3.228 -3.858 -12.118 1.00 0.58 C ATOM 898 O GLU A 62 -3.782 -3.381 -13.106 1.00 0.62 O ATOM 899 CB GLU A 62 -0.706 -3.953 -11.969 1.00 0.68 C ATOM 900 CG GLU A 62 -0.432 -3.842 -13.473 1.00 0.84 C ATOM 901 CD GLU A 62 0.414 -5.003 -13.980 1.00 1.20 C ATOM 902 OE1 GLU A 62 1.427 -5.313 -13.323 1.00 2.15 O ATOM 903 OE2 GLU A 62 0.014 -5.579 -15.019 1.00 1.84 O ATOM 0 H GLU A 62 -1.301 -3.654 -9.601 1.00 0.57 H new ATOM 0 HA GLU A 62 -1.903 -2.183 -11.904 1.00 0.61 H new ATOM 0 HB2 GLU A 62 0.149 -3.558 -11.420 1.00 0.68 H new ATOM 0 HB3 GLU A 62 -0.800 -5.005 -11.699 1.00 0.68 H new ATOM 0 HG2 GLU A 62 -1.378 -3.818 -14.014 1.00 0.84 H new ATOM 0 HG3 GLU A 62 0.079 -2.902 -13.681 1.00 0.84 H new ATOM 910 N LYS A 63 -3.687 -4.953 -11.505 1.00 0.54 N ATOM 911 CA LYS A 63 -4.874 -5.655 -11.936 1.00 0.56 C ATOM 912 C LYS A 63 -6.083 -4.729 -11.875 1.00 0.56 C ATOM 913 O LYS A 63 -6.822 -4.622 -12.851 1.00 0.61 O ATOM 914 CB LYS A 63 -5.087 -6.936 -11.115 1.00 0.64 C ATOM 915 CG LYS A 63 -4.887 -8.208 -11.949 1.00 0.80 C ATOM 916 CD LYS A 63 -5.966 -8.387 -13.032 1.00 1.81 C ATOM 917 CE LYS A 63 -5.509 -7.981 -14.448 1.00 2.03 C ATOM 918 NZ LYS A 63 -6.364 -8.555 -15.505 1.00 3.63 N ATOM 0 H LYS A 63 -3.234 -5.371 -10.692 1.00 0.54 H new ATOM 0 HA LYS A 63 -4.743 -5.964 -12.973 1.00 0.56 H new ATOM 0 HB2 LYS A 63 -4.394 -6.944 -10.274 1.00 0.64 H new ATOM 0 HB3 LYS A 63 -6.094 -6.933 -10.698 1.00 0.64 H new ATOM 0 HG2 LYS A 63 -3.906 -8.176 -12.422 1.00 0.80 H new ATOM 0 HG3 LYS A 63 -4.894 -9.075 -11.288 1.00 0.80 H new ATOM 0 HD2 LYS A 63 -6.280 -9.431 -13.048 1.00 1.81 H new ATOM 0 HD3 LYS A 63 -6.840 -7.795 -12.760 1.00 1.81 H new ATOM 0 HE2 LYS A 63 -5.515 -6.894 -14.530 1.00 2.03 H new ATOM 0 HE3 LYS A 63 -4.480 -8.306 -14.601 1.00 2.03 H new ATOM 0 HZ1 LYS A 63 -5.766 -8.969 -16.248 1.00 3.63 H new ATOM 0 HZ2 LYS A 63 -6.971 -9.294 -15.097 1.00 3.63 H new ATOM 0 HZ3 LYS A 63 -6.958 -7.807 -15.916 1.00 3.63 H new ATOM 932 N ILE A 64 -6.280 -4.060 -10.737 1.00 0.54 N ATOM 933 CA ILE A 64 -7.358 -3.094 -10.573 1.00 0.55 C ATOM 934 C ILE A 64 -7.293 -2.042 -11.686 1.00 0.59 C ATOM 935 O ILE A 64 -8.309 -1.752 -12.321 1.00 0.67 O ATOM 936 CB ILE A 64 -7.309 -2.488 -9.157 1.00 0.48 C ATOM 937 CG1 ILE A 64 -7.636 -3.586 -8.126 1.00 0.56 C ATOM 938 CG2 ILE A 64 -8.299 -1.325 -9.026 1.00 0.56 C ATOM 939 CD1 ILE A 64 -7.442 -3.137 -6.676 1.00 0.64 C ATOM 0 H ILE A 64 -5.697 -4.175 -9.908 1.00 0.54 H new ATOM 0 HA ILE A 64 -8.325 -3.588 -10.668 1.00 0.55 H new ATOM 0 HB ILE A 64 -6.308 -2.098 -8.972 1.00 0.48 H new ATOM 0 HG12 ILE A 64 -8.668 -3.907 -8.264 1.00 0.56 H new ATOM 0 HG13 ILE A 64 -7.004 -4.453 -8.317 1.00 0.56 H new ATOM 0 HG21 ILE A 64 -8.246 -0.914 -8.018 1.00 0.56 H new ATOM 0 HG22 ILE A 64 -8.046 -0.549 -9.748 1.00 0.56 H new ATOM 0 HG23 ILE A 64 -9.310 -1.684 -9.219 1.00 0.56 H new ATOM 0 HD11 ILE A 64 -7.690 -3.959 -6.004 1.00 0.64 H new ATOM 0 HD12 ILE A 64 -6.404 -2.843 -6.522 1.00 0.64 H new ATOM 0 HD13 ILE A 64 -8.094 -2.289 -6.467 1.00 0.64 H new ATOM 951 N GLU A 65 -6.106 -1.489 -11.952 1.00 0.58 N ATOM 952 CA GLU A 65 -5.986 -0.476 -12.992 1.00 0.63 C ATOM 953 C GLU A 65 -6.301 -1.055 -14.376 1.00 0.71 C ATOM 954 O GLU A 65 -7.079 -0.475 -15.131 1.00 0.81 O ATOM 955 CB GLU A 65 -4.638 0.249 -12.916 1.00 0.71 C ATOM 956 CG GLU A 65 -4.522 1.023 -11.588 1.00 0.70 C ATOM 957 CD GLU A 65 -3.539 2.186 -11.655 1.00 1.12 C ATOM 958 OE1 GLU A 65 -3.557 2.889 -12.688 1.00 2.04 O ATOM 959 OE2 GLU A 65 -2.814 2.379 -10.656 1.00 1.45 O ATOM 0 H GLU A 65 -5.237 -1.721 -11.472 1.00 0.58 H new ATOM 0 HA GLU A 65 -6.741 0.290 -12.814 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -3.824 -0.472 -12.997 1.00 0.71 H new ATOM 0 HB3 GLU A 65 -4.539 0.937 -13.756 1.00 0.71 H new ATOM 0 HG2 GLU A 65 -5.505 1.402 -11.309 1.00 0.70 H new ATOM 0 HG3 GLU A 65 -4.210 0.337 -10.801 1.00 0.70 H new ATOM 966 N LYS A 66 -5.755 -2.226 -14.704 1.00 0.69 N ATOM 967 CA LYS A 66 -6.005 -2.894 -15.978 1.00 0.78 C ATOM 968 C LYS A 66 -7.468 -3.322 -16.130 1.00 0.77 C ATOM 969 O LYS A 66 -7.957 -3.431 -17.252 1.00 0.80 O ATOM 970 CB LYS A 66 -5.022 -4.051 -16.173 1.00 0.87 C ATOM 971 CG LYS A 66 -3.675 -3.424 -16.552 1.00 1.13 C ATOM 972 CD LYS A 66 -2.491 -4.363 -16.362 1.00 1.34 C ATOM 973 CE LYS A 66 -2.242 -5.377 -17.485 1.00 1.79 C ATOM 974 NZ LYS A 66 -0.859 -5.897 -17.399 1.00 2.68 N ATOM 0 H LYS A 66 -5.124 -2.739 -14.089 1.00 0.69 H new ATOM 0 HA LYS A 66 -5.829 -2.177 -16.780 1.00 0.78 H new ATOM 0 HB2 LYS A 66 -4.932 -4.640 -15.261 1.00 0.87 H new ATOM 0 HB3 LYS A 66 -5.369 -4.726 -16.955 1.00 0.87 H new ATOM 0 HG2 LYS A 66 -3.712 -3.106 -17.594 1.00 1.13 H new ATOM 0 HG3 LYS A 66 -3.518 -2.529 -15.950 1.00 1.13 H new ATOM 0 HD2 LYS A 66 -1.592 -3.759 -16.240 1.00 1.34 H new ATOM 0 HD3 LYS A 66 -2.635 -4.912 -15.431 1.00 1.34 H new ATOM 0 HE2 LYS A 66 -2.954 -6.199 -17.409 1.00 1.79 H new ATOM 0 HE3 LYS A 66 -2.402 -4.905 -18.454 1.00 1.79 H new ATOM 0 HZ1 LYS A 66 -0.324 -5.602 -18.241 1.00 2.68 H new ATOM 0 HZ2 LYS A 66 -0.399 -5.520 -16.546 1.00 2.68 H new ATOM 0 HZ3 LYS A 66 -0.881 -6.936 -17.350 1.00 2.68 H new ATOM 988 N LEU A 67 -8.185 -3.548 -15.025 1.00 0.77 N ATOM 989 CA LEU A 67 -9.625 -3.762 -15.042 1.00 0.83 C ATOM 990 C LEU A 67 -10.402 -2.461 -15.312 1.00 0.89 C ATOM 991 O LEU A 67 -11.624 -2.509 -15.445 1.00 0.97 O ATOM 992 CB LEU A 67 -10.043 -4.395 -13.709 1.00 0.80 C ATOM 993 CG LEU A 67 -9.958 -5.930 -13.613 1.00 0.84 C ATOM 994 CD1 LEU A 67 -11.341 -6.533 -13.851 1.00 1.91 C ATOM 995 CD2 LEU A 67 -8.956 -6.614 -14.548 1.00 2.39 C ATOM 0 H LEU A 67 -7.775 -3.587 -14.092 1.00 0.77 H new ATOM 0 HA LEU A 67 -9.871 -4.436 -15.862 1.00 0.83 H new ATOM 0 HB2 LEU A 67 -9.421 -3.970 -12.921 1.00 0.80 H new ATOM 0 HB3 LEU A 67 -11.070 -4.098 -13.499 1.00 0.80 H new ATOM 0 HG LEU A 67 -9.586 -6.119 -12.606 1.00 0.84 H new ATOM 0 HD11 LEU A 67 -11.281 -7.619 -13.783 1.00 1.91 H new ATOM 0 HD12 LEU A 67 -12.035 -6.160 -13.098 1.00 1.91 H new ATOM 0 HD13 LEU A 67 -11.695 -6.251 -14.842 1.00 1.91 H new ATOM 0 HD21 LEU A 67 -8.987 -7.692 -14.389 1.00 2.39 H new ATOM 0 HD22 LEU A 67 -9.215 -6.393 -15.583 1.00 2.39 H new ATOM 0 HD23 LEU A 67 -7.952 -6.245 -14.338 1.00 2.39 H new ATOM 1007 N GLY A 68 -9.724 -1.315 -15.419 1.00 0.88 N ATOM 1008 CA GLY A 68 -10.339 -0.045 -15.772 1.00 0.92 C ATOM 1009 C GLY A 68 -10.963 0.631 -14.555 1.00 0.81 C ATOM 1010 O GLY A 68 -12.023 1.243 -14.664 1.00 0.91 O ATOM 0 H GLY A 68 -8.719 -1.249 -15.259 1.00 0.88 H new ATOM 0 HA2 GLY A 68 -9.590 0.614 -16.211 1.00 0.92 H new ATOM 0 HA3 GLY A 68 -11.104 -0.208 -16.531 1.00 0.92 H new ATOM 1014 N TYR A 69 -10.293 0.540 -13.402 1.00 0.66 N ATOM 1015 CA TYR A 69 -10.685 1.213 -12.169 1.00 0.62 C ATOM 1016 C TYR A 69 -9.491 2.012 -11.647 1.00 0.54 C ATOM 1017 O TYR A 69 -8.420 1.970 -12.247 1.00 0.56 O ATOM 1018 CB TYR A 69 -11.169 0.166 -11.163 1.00 0.62 C ATOM 1019 CG TYR A 69 -12.280 -0.723 -11.689 1.00 0.71 C ATOM 1020 CD1 TYR A 69 -13.503 -0.163 -12.106 1.00 1.95 C ATOM 1021 CD2 TYR A 69 -12.071 -2.106 -11.826 1.00 1.71 C ATOM 1022 CE1 TYR A 69 -14.491 -0.975 -12.686 1.00 1.93 C ATOM 1023 CE2 TYR A 69 -13.098 -2.926 -12.321 1.00 1.90 C ATOM 1024 CZ TYR A 69 -14.265 -2.351 -12.841 1.00 1.14 C ATOM 1025 OH TYR A 69 -15.152 -3.131 -13.522 1.00 1.51 O ATOM 0 H TYR A 69 -9.445 -0.017 -13.302 1.00 0.66 H new ATOM 0 HA TYR A 69 -11.506 1.910 -12.340 1.00 0.62 H new ATOM 0 HB2 TYR A 69 -10.325 -0.459 -10.869 1.00 0.62 H new ATOM 0 HB3 TYR A 69 -11.518 0.674 -10.264 1.00 0.62 H new ATOM 0 HD1 TYR A 69 -13.682 0.895 -11.979 1.00 1.95 H new ATOM 0 HD2 TYR A 69 -11.120 -2.538 -11.551 1.00 1.71 H new ATOM 0 HE1 TYR A 69 -15.424 -0.541 -13.013 1.00 1.93 H new ATOM 0 HE2 TYR A 69 -12.988 -4.000 -12.301 1.00 1.90 H new ATOM 0 HH TYR A 69 -16.055 -2.980 -13.173 1.00 1.51 H new ATOM 1035 N HIS A 70 -9.667 2.775 -10.564 1.00 0.51 N ATOM 1036 CA HIS A 70 -8.610 3.577 -9.951 1.00 0.50 C ATOM 1037 C HIS A 70 -8.670 3.391 -8.435 1.00 0.44 C ATOM 1038 O HIS A 70 -9.757 3.380 -7.854 1.00 0.55 O ATOM 1039 CB HIS A 70 -8.776 5.063 -10.304 1.00 0.59 C ATOM 1040 CG HIS A 70 -8.230 5.484 -11.650 1.00 0.70 C ATOM 1041 ND1 HIS A 70 -7.941 4.673 -12.726 1.00 1.72 N ATOM 1042 CD2 HIS A 70 -7.890 6.763 -12.004 1.00 1.79 C ATOM 1043 CE1 HIS A 70 -7.458 5.453 -13.708 1.00 1.73 C ATOM 1044 NE2 HIS A 70 -7.412 6.737 -13.316 1.00 1.65 N ATOM 0 H HIS A 70 -10.563 2.852 -10.083 1.00 0.51 H new ATOM 0 HA HIS A 70 -7.643 3.247 -10.332 1.00 0.50 H new ATOM 0 HB2 HIS A 70 -9.837 5.309 -10.270 1.00 0.59 H new ATOM 0 HB3 HIS A 70 -8.287 5.657 -9.532 1.00 0.59 H new ATOM 0 HD1 HIS A 70 -8.070 3.662 -12.769 1.00 1.72 H new ATOM 0 HD2 HIS A 70 -7.977 7.639 -11.378 1.00 1.79 H new ATOM 0 HE1 HIS A 70 -7.149 5.096 -14.679 1.00 1.73 H new ATOM 1052 N VAL A 71 -7.505 3.246 -7.802 1.00 0.39 N ATOM 1053 CA VAL A 71 -7.363 3.099 -6.362 1.00 0.40 C ATOM 1054 C VAL A 71 -7.337 4.478 -5.696 1.00 0.45 C ATOM 1055 O VAL A 71 -6.830 5.438 -6.275 1.00 0.54 O ATOM 1056 CB VAL A 71 -6.127 2.240 -6.049 1.00 0.44 C ATOM 1057 CG1 VAL A 71 -6.320 0.811 -6.574 1.00 0.47 C ATOM 1058 CG2 VAL A 71 -4.821 2.816 -6.617 1.00 0.50 C ATOM 0 H VAL A 71 -6.612 3.228 -8.295 1.00 0.39 H new ATOM 0 HA VAL A 71 -8.222 2.573 -5.944 1.00 0.40 H new ATOM 0 HB VAL A 71 -6.033 2.237 -4.963 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -5.436 0.216 -6.344 1.00 0.47 H new ATOM 0 HG12 VAL A 71 -7.192 0.363 -6.098 1.00 0.47 H new ATOM 0 HG13 VAL A 71 -6.469 0.837 -7.653 1.00 0.47 H new ATOM 0 HG21 VAL A 71 -3.991 2.159 -6.358 1.00 0.50 H new ATOM 0 HG22 VAL A 71 -4.899 2.893 -7.702 1.00 0.50 H new ATOM 0 HG23 VAL A 71 -4.646 3.806 -6.195 1.00 0.50 H new ATOM 1068 N VAL A 72 -7.894 4.600 -4.486 1.00 0.48 N ATOM 1069 CA VAL A 72 -8.043 5.885 -3.803 1.00 0.59 C ATOM 1070 C VAL A 72 -6.724 6.210 -3.087 1.00 0.60 C ATOM 1071 O VAL A 72 -6.697 6.458 -1.884 1.00 0.89 O ATOM 1072 CB VAL A 72 -9.245 5.797 -2.838 1.00 0.75 C ATOM 1073 CG1 VAL A 72 -9.562 7.120 -2.114 1.00 0.94 C ATOM 1074 CG2 VAL A 72 -10.534 5.367 -3.554 1.00 0.94 C ATOM 0 H VAL A 72 -8.254 3.808 -3.954 1.00 0.48 H new ATOM 0 HA VAL A 72 -8.247 6.696 -4.502 1.00 0.59 H new ATOM 0 HB VAL A 72 -8.932 5.050 -2.108 1.00 0.75 H new ATOM 0 HG11 VAL A 72 -10.418 6.978 -1.454 1.00 0.94 H new ATOM 0 HG12 VAL A 72 -8.698 7.429 -1.526 1.00 0.94 H new ATOM 0 HG13 VAL A 72 -9.794 7.890 -2.849 1.00 0.94 H new ATOM 0 HG21 VAL A 72 -11.351 5.319 -2.834 1.00 0.94 H new ATOM 0 HG22 VAL A 72 -10.777 6.091 -4.332 1.00 0.94 H new ATOM 0 HG23 VAL A 72 -10.390 4.385 -4.005 1.00 0.94 H new ATOM 1084 N THR A 73 -5.611 6.165 -3.819 1.00 0.52 N ATOM 1085 CA THR A 73 -4.278 6.063 -3.242 1.00 0.54 C ATOM 1086 C THR A 73 -3.356 7.088 -3.901 1.00 0.58 C ATOM 1087 O THR A 73 -3.488 7.330 -5.100 1.00 0.67 O ATOM 1088 CB THR A 73 -3.769 4.625 -3.443 1.00 0.61 C ATOM 1089 OG1 THR A 73 -4.835 3.697 -3.481 1.00 0.73 O ATOM 1090 CG2 THR A 73 -2.879 4.227 -2.278 1.00 0.79 C ATOM 0 H THR A 73 -5.613 6.199 -4.838 1.00 0.52 H new ATOM 0 HA THR A 73 -4.299 6.279 -2.174 1.00 0.54 H new ATOM 0 HB THR A 73 -3.227 4.607 -4.389 1.00 0.61 H new ATOM 0 HG1 THR A 73 -5.347 3.753 -2.647 1.00 0.73 H new ATOM 0 HG21 THR A 73 -2.521 3.208 -2.425 1.00 0.79 H new ATOM 0 HG22 THR A 73 -2.028 4.906 -2.222 1.00 0.79 H new ATOM 0 HG23 THR A 73 -3.448 4.281 -1.350 1.00 0.79 H new ATOM 1098 N GLU A 74 -2.445 7.702 -3.134 1.00 0.60 N ATOM 1099 CA GLU A 74 -1.646 8.830 -3.600 1.00 0.68 C ATOM 1100 C GLU A 74 -0.172 8.661 -3.223 1.00 0.57 C ATOM 1101 O GLU A 74 0.141 8.142 -2.151 1.00 0.52 O ATOM 1102 CB GLU A 74 -2.251 10.135 -3.062 1.00 0.83 C ATOM 1103 CG GLU A 74 -2.302 10.193 -1.526 1.00 2.19 C ATOM 1104 CD GLU A 74 -3.085 11.394 -1.005 1.00 3.17 C ATOM 1105 OE1 GLU A 74 -3.895 11.938 -1.787 1.00 3.23 O ATOM 1106 OE2 GLU A 74 -2.890 11.716 0.184 1.00 4.76 O ATOM 0 H GLU A 74 -2.245 7.426 -2.173 1.00 0.60 H new ATOM 0 HA GLU A 74 -1.671 8.870 -4.689 1.00 0.68 H new ATOM 0 HB2 GLU A 74 -1.667 10.978 -3.431 1.00 0.83 H new ATOM 0 HB3 GLU A 74 -3.260 10.249 -3.457 1.00 0.83 H new ATOM 0 HG2 GLU A 74 -2.756 9.277 -1.147 1.00 2.19 H new ATOM 0 HG3 GLU A 74 -1.285 10.230 -1.135 1.00 2.19 H new ATOM 1113 N LYS A 75 0.712 9.094 -4.132 1.00 0.58 N ATOM 1114 CA LYS A 75 2.167 9.052 -4.003 1.00 0.56 C ATOM 1115 C LYS A 75 2.669 10.310 -3.297 1.00 0.55 C ATOM 1116 O LYS A 75 3.099 11.260 -3.949 1.00 0.68 O ATOM 1117 CB LYS A 75 2.853 8.789 -5.359 1.00 0.70 C ATOM 1118 CG LYS A 75 2.494 9.734 -6.508 1.00 0.92 C ATOM 1119 CD LYS A 75 2.985 9.170 -7.854 1.00 1.16 C ATOM 1120 CE LYS A 75 4.513 9.129 -8.002 1.00 2.75 C ATOM 1121 NZ LYS A 75 5.114 10.480 -7.995 1.00 3.07 N ATOM 0 H LYS A 75 0.413 9.502 -5.018 1.00 0.58 H new ATOM 0 HA LYS A 75 2.443 8.205 -3.375 1.00 0.56 H new ATOM 0 HB2 LYS A 75 3.932 8.832 -5.208 1.00 0.70 H new ATOM 0 HB3 LYS A 75 2.615 7.771 -5.669 1.00 0.70 H new ATOM 0 HG2 LYS A 75 1.414 9.879 -6.542 1.00 0.92 H new ATOM 0 HG3 LYS A 75 2.942 10.712 -6.334 1.00 0.92 H new ATOM 0 HD2 LYS A 75 2.593 8.161 -7.977 1.00 1.16 H new ATOM 0 HD3 LYS A 75 2.570 9.774 -8.661 1.00 1.16 H new ATOM 0 HE2 LYS A 75 4.939 8.540 -7.190 1.00 2.75 H new ATOM 0 HE3 LYS A 75 4.772 8.623 -8.932 1.00 2.75 H new ATOM 0 HZ1 LYS A 75 6.134 10.407 -8.182 1.00 3.07 H new ATOM 0 HZ2 LYS A 75 4.668 11.062 -8.732 1.00 3.07 H new ATOM 0 HZ3 LYS A 75 4.963 10.922 -7.066 1.00 3.07 H new ATOM 1135 N ALA A 76 2.604 10.309 -1.967 1.00 0.49 N ATOM 1136 CA ALA A 76 3.042 11.453 -1.160 1.00 0.50 C ATOM 1137 C ALA A 76 4.552 11.365 -0.892 1.00 0.46 C ATOM 1138 O ALA A 76 5.105 10.270 -0.968 1.00 0.59 O ATOM 1139 CB ALA A 76 2.223 11.502 0.130 1.00 0.52 C ATOM 0 H ALA A 76 2.250 9.524 -1.420 1.00 0.49 H new ATOM 0 HA ALA A 76 2.870 12.384 -1.701 1.00 0.50 H new ATOM 0 HB1 ALA A 76 2.545 12.351 0.733 1.00 0.52 H new ATOM 0 HB2 ALA A 76 1.166 11.610 -0.114 1.00 0.52 H new ATOM 0 HB3 ALA A 76 2.373 10.580 0.692 1.00 0.52 H new ATOM 1145 N GLU A 77 5.227 12.481 -0.588 1.00 0.46 N ATOM 1146 CA GLU A 77 6.674 12.546 -0.386 1.00 0.46 C ATOM 1147 C GLU A 77 7.017 12.975 1.052 1.00 0.40 C ATOM 1148 O GLU A 77 6.745 14.105 1.464 1.00 0.48 O ATOM 1149 CB GLU A 77 7.332 13.526 -1.372 1.00 0.60 C ATOM 1150 CG GLU A 77 7.294 13.141 -2.859 1.00 0.93 C ATOM 1151 CD GLU A 77 8.092 14.083 -3.777 1.00 1.72 C ATOM 1152 OE1 GLU A 77 8.812 14.985 -3.274 1.00 2.49 O ATOM 1153 OE2 GLU A 77 7.986 13.875 -5.003 1.00 2.48 O ATOM 0 H GLU A 77 4.767 13.384 -0.474 1.00 0.46 H new ATOM 0 HA GLU A 77 7.064 11.544 -0.564 1.00 0.46 H new ATOM 0 HB2 GLU A 77 6.849 14.497 -1.260 1.00 0.60 H new ATOM 0 HB3 GLU A 77 8.375 13.653 -1.080 1.00 0.60 H new ATOM 0 HG2 GLU A 77 7.683 12.129 -2.970 1.00 0.93 H new ATOM 0 HG3 GLU A 77 6.256 13.122 -3.191 1.00 0.93 H new ATOM 1160 N PHE A 78 7.687 12.092 1.801 1.00 0.37 N ATOM 1161 CA PHE A 78 8.129 12.349 3.166 1.00 0.34 C ATOM 1162 C PHE A 78 9.652 12.404 3.209 1.00 0.32 C ATOM 1163 O PHE A 78 10.316 11.530 2.668 1.00 0.52 O ATOM 1164 CB PHE A 78 7.604 11.261 4.107 1.00 0.41 C ATOM 1165 CG PHE A 78 6.133 11.415 4.434 1.00 0.38 C ATOM 1166 CD1 PHE A 78 5.167 11.203 3.435 1.00 1.97 C ATOM 1167 CD2 PHE A 78 5.746 11.977 5.663 1.00 1.97 C ATOM 1168 CE1 PHE A 78 3.845 11.637 3.625 1.00 1.97 C ATOM 1169 CE2 PHE A 78 4.418 12.375 5.864 1.00 2.08 C ATOM 1170 CZ PHE A 78 3.481 12.263 4.825 1.00 0.83 C ATOM 0 H PHE A 78 7.939 11.163 1.464 1.00 0.37 H new ATOM 0 HA PHE A 78 7.731 13.308 3.497 1.00 0.34 H new ATOM 0 HB2 PHE A 78 7.768 10.285 3.651 1.00 0.41 H new ATOM 0 HB3 PHE A 78 8.180 11.281 5.032 1.00 0.41 H new ATOM 0 HD1 PHE A 78 5.443 10.704 2.518 1.00 1.97 H new ATOM 0 HD2 PHE A 78 6.473 12.102 6.452 1.00 1.97 H new ATOM 0 HE1 PHE A 78 3.110 11.489 2.848 1.00 1.97 H new ATOM 0 HE2 PHE A 78 4.114 12.770 6.822 1.00 2.08 H new ATOM 0 HZ PHE A 78 2.483 12.658 4.950 1.00 0.83 H new ATOM 1180 N ASP A 79 10.214 13.420 3.853 1.00 0.45 N ATOM 1181 CA ASP A 79 11.641 13.556 4.099 1.00 0.44 C ATOM 1182 C ASP A 79 12.002 12.778 5.373 1.00 0.44 C ATOM 1183 O ASP A 79 11.130 12.609 6.223 1.00 0.49 O ATOM 1184 CB ASP A 79 11.929 15.055 4.211 1.00 0.53 C ATOM 1185 CG ASP A 79 13.379 15.344 4.546 1.00 0.71 C ATOM 1186 OD1 ASP A 79 13.708 15.226 5.744 1.00 1.28 O ATOM 1187 OD2 ASP A 79 14.106 15.706 3.598 1.00 1.76 O ATOM 0 H ASP A 79 9.670 14.196 4.230 1.00 0.45 H new ATOM 0 HA ASP A 79 12.251 13.141 3.297 1.00 0.44 H new ATOM 0 HB2 ASP A 79 11.673 15.542 3.270 1.00 0.53 H new ATOM 0 HB3 ASP A 79 11.289 15.488 4.979 1.00 0.53 H new ATOM 1192 N ILE A 80 13.210 12.217 5.496 1.00 0.44 N ATOM 1193 CA ILE A 80 13.568 11.353 6.616 1.00 0.43 C ATOM 1194 C ILE A 80 14.803 11.895 7.327 1.00 0.50 C ATOM 1195 O ILE A 80 15.851 12.034 6.698 1.00 0.60 O ATOM 1196 CB ILE A 80 13.852 9.946 6.082 1.00 0.43 C ATOM 1197 CG1 ILE A 80 12.756 9.535 5.091 1.00 0.39 C ATOM 1198 CG2 ILE A 80 13.997 8.948 7.240 1.00 0.52 C ATOM 1199 CD1 ILE A 80 13.084 8.212 4.438 1.00 0.56 C ATOM 0 H ILE A 80 13.963 12.351 4.821 1.00 0.44 H new ATOM 0 HA ILE A 80 12.745 11.321 7.329 1.00 0.43 H new ATOM 0 HB ILE A 80 14.800 9.945 5.545 1.00 0.43 H new ATOM 0 HG12 ILE A 80 11.800 9.461 5.610 1.00 0.39 H new ATOM 0 HG13 ILE A 80 12.645 10.304 4.327 1.00 0.39 H new ATOM 0 HG21 ILE A 80 14.198 7.954 6.841 1.00 0.52 H new ATOM 0 HG22 ILE A 80 14.822 9.255 7.883 1.00 0.52 H new ATOM 0 HG23 ILE A 80 13.074 8.926 7.819 1.00 0.52 H new ATOM 0 HD11 ILE A 80 12.291 7.944 3.740 1.00 0.56 H new ATOM 0 HD12 ILE A 80 14.028 8.296 3.899 1.00 0.56 H new ATOM 0 HD13 ILE A 80 13.170 7.440 5.203 1.00 0.56 H new ATOM 1211 N GLU A 81 14.713 12.129 8.642 1.00 0.54 N ATOM 1212 CA GLU A 81 15.822 12.681 9.409 1.00 0.66 C ATOM 1213 C GLU A 81 16.257 11.668 10.478 1.00 0.75 C ATOM 1214 O GLU A 81 15.696 11.602 11.573 1.00 1.14 O ATOM 1215 CB GLU A 81 15.465 14.099 9.894 1.00 0.97 C ATOM 1216 CG GLU A 81 14.233 14.185 10.799 1.00 1.71 C ATOM 1217 CD GLU A 81 13.659 15.586 10.972 1.00 1.81 C ATOM 1218 OE1 GLU A 81 14.373 16.561 10.659 1.00 1.97 O ATOM 1219 OE2 GLU A 81 12.504 15.654 11.451 1.00 3.20 O ATOM 0 H GLU A 81 13.876 11.941 9.194 1.00 0.54 H new ATOM 0 HA GLU A 81 16.714 12.829 8.800 1.00 0.66 H new ATOM 0 HB2 GLU A 81 16.320 14.509 10.431 1.00 0.97 H new ATOM 0 HB3 GLU A 81 15.302 14.734 9.023 1.00 0.97 H new ATOM 0 HG2 GLU A 81 13.456 13.538 10.392 1.00 1.71 H new ATOM 0 HG3 GLU A 81 14.494 13.791 11.781 1.00 1.71 H new ATOM 1226 N GLY A 82 17.253 10.836 10.143 1.00 0.87 N ATOM 1227 CA GLY A 82 17.779 9.830 11.056 1.00 1.11 C ATOM 1228 C GLY A 82 18.872 8.973 10.413 1.00 1.16 C ATOM 1229 O GLY A 82 20.006 8.958 10.887 1.00 1.80 O ATOM 0 H GLY A 82 17.711 10.847 9.232 1.00 0.87 H new ATOM 0 HA2 GLY A 82 18.181 10.322 11.942 1.00 1.11 H new ATOM 0 HA3 GLY A 82 16.966 9.186 11.390 1.00 1.11 H new ATOM 1233 N MET A 83 18.522 8.224 9.363 1.00 0.83 N ATOM 1234 CA MET A 83 19.408 7.283 8.698 1.00 0.97 C ATOM 1235 C MET A 83 20.780 7.872 8.350 1.00 1.08 C ATOM 1236 O MET A 83 20.866 8.908 7.700 1.00 1.66 O ATOM 1237 CB MET A 83 18.689 6.739 7.455 1.00 1.20 C ATOM 1238 CG MET A 83 18.444 7.801 6.379 1.00 1.24 C ATOM 1239 SD MET A 83 16.850 7.665 5.547 1.00 2.26 S ATOM 1240 CE MET A 83 17.073 8.911 4.269 1.00 3.02 C ATOM 0 H MET A 83 17.591 8.261 8.947 1.00 0.83 H new ATOM 0 HA MET A 83 19.627 6.471 9.392 1.00 0.97 H new ATOM 0 HB2 MET A 83 19.281 5.930 7.028 1.00 1.20 H new ATOM 0 HB3 MET A 83 17.733 6.310 7.756 1.00 1.20 H new ATOM 0 HG2 MET A 83 18.518 8.788 6.836 1.00 1.24 H new ATOM 0 HG3 MET A 83 19.236 7.735 5.633 1.00 1.24 H new ATOM 0 HE1 MET A 83 16.277 8.821 3.530 1.00 3.02 H new ATOM 0 HE2 MET A 83 17.040 9.903 4.719 1.00 3.02 H new ATOM 0 HE3 MET A 83 18.038 8.765 3.783 1.00 3.02 H new ATOM 1285 N ALA A 87 21.051 1.635 6.137 1.00 1.56 N ATOM 1286 CA ALA A 87 20.389 0.522 6.814 1.00 0.78 C ATOM 1287 C ALA A 87 19.072 0.953 7.453 1.00 0.68 C ATOM 1288 O ALA A 87 18.066 0.258 7.343 1.00 0.68 O ATOM 1289 CB ALA A 87 21.320 -0.078 7.873 1.00 1.75 C ATOM 0 HA ALA A 87 20.160 -0.235 6.064 1.00 0.78 H new ATOM 0 HB1 ALA A 87 20.817 -0.907 8.372 1.00 1.75 H new ATOM 0 HB2 ALA A 87 22.230 -0.441 7.394 1.00 1.75 H new ATOM 0 HB3 ALA A 87 21.576 0.686 8.607 1.00 1.75 H new ATOM 1295 N CYS A 88 19.058 2.110 8.119 1.00 0.70 N ATOM 1296 CA CYS A 88 17.871 2.623 8.792 1.00 0.65 C ATOM 1297 C CYS A 88 16.733 2.776 7.773 1.00 0.60 C ATOM 1298 O CYS A 88 15.627 2.284 7.990 1.00 0.61 O ATOM 1299 CB CYS A 88 18.234 3.959 9.437 1.00 0.72 C ATOM 1300 SG CYS A 88 19.427 3.767 10.790 1.00 0.82 S ATOM 0 H CYS A 88 19.874 2.716 8.205 1.00 0.70 H new ATOM 0 HA CYS A 88 17.529 1.937 9.567 1.00 0.65 H new ATOM 0 HB2 CYS A 88 18.650 4.624 8.680 1.00 0.72 H new ATOM 0 HB3 CYS A 88 17.330 4.434 9.817 1.00 0.72 H new ATOM 0 HG CYS A 88 18.873 4.123 11.911 1.00 0.82 H new ATOM 1306 N ALA A 89 17.035 3.397 6.625 1.00 0.59 N ATOM 1307 CA ALA A 89 16.130 3.485 5.481 1.00 0.60 C ATOM 1308 C ALA A 89 15.665 2.097 5.046 1.00 0.63 C ATOM 1309 O ALA A 89 14.504 1.878 4.726 1.00 0.64 O ATOM 1310 CB ALA A 89 16.845 4.148 4.303 1.00 0.69 C ATOM 0 H ALA A 89 17.931 3.859 6.467 1.00 0.59 H new ATOM 0 HA ALA A 89 15.266 4.077 5.782 1.00 0.60 H new ATOM 0 HB1 ALA A 89 16.165 4.211 3.453 1.00 0.69 H new ATOM 0 HB2 ALA A 89 17.163 5.151 4.588 1.00 0.69 H new ATOM 0 HB3 ALA A 89 17.717 3.556 4.027 1.00 0.69 H new ATOM 1316 N ASN A 90 16.587 1.141 5.030 1.00 0.68 N ATOM 1317 CA ASN A 90 16.291 -0.208 4.566 1.00 0.73 C ATOM 1318 C ASN A 90 15.341 -0.897 5.550 1.00 0.76 C ATOM 1319 O ASN A 90 14.518 -1.718 5.141 1.00 0.94 O ATOM 1320 CB ASN A 90 17.568 -1.031 4.339 1.00 0.80 C ATOM 1321 CG ASN A 90 18.491 -0.440 3.269 1.00 1.09 C ATOM 1322 OD1 ASN A 90 18.641 0.772 3.161 1.00 2.31 O ATOM 1323 ND2 ASN A 90 19.135 -1.293 2.478 1.00 1.25 N ATOM 0 H ASN A 90 17.551 1.277 5.335 1.00 0.68 H new ATOM 0 HA ASN A 90 15.797 -0.137 3.597 1.00 0.73 H new ATOM 0 HB2 ASN A 90 18.115 -1.106 5.279 1.00 0.80 H new ATOM 0 HB3 ASN A 90 17.291 -2.045 4.050 1.00 0.80 H new ATOM 0 HD21 ASN A 90 19.771 -0.943 1.761 1.00 1.25 H new ATOM 0 HD22 ASN A 90 18.993 -2.297 2.588 1.00 1.25 H new ATOM 1330 N ARG A 91 15.450 -0.580 6.841 1.00 0.68 N ATOM 1331 CA ARG A 91 14.525 -1.046 7.862 1.00 0.71 C ATOM 1332 C ARG A 91 13.158 -0.377 7.711 1.00 0.68 C ATOM 1333 O ARG A 91 12.143 -1.071 7.636 1.00 0.71 O ATOM 1334 CB ARG A 91 15.127 -0.820 9.262 1.00 0.76 C ATOM 1335 CG ARG A 91 15.725 -2.118 9.817 1.00 0.98 C ATOM 1336 CD ARG A 91 14.611 -3.020 10.378 1.00 1.91 C ATOM 1337 NE ARG A 91 15.019 -4.434 10.443 1.00 2.43 N ATOM 1338 CZ ARG A 91 15.854 -4.976 11.345 1.00 2.72 C ATOM 1339 NH1 ARG A 91 16.417 -4.206 12.281 1.00 3.23 N ATOM 1340 NH2 ARG A 91 16.119 -6.287 11.301 1.00 3.53 N ATOM 0 H ARG A 91 16.194 0.015 7.206 1.00 0.68 H new ATOM 0 HA ARG A 91 14.368 -2.117 7.734 1.00 0.71 H new ATOM 0 HB2 ARG A 91 15.899 -0.052 9.211 1.00 0.76 H new ATOM 0 HB3 ARG A 91 14.356 -0.452 9.939 1.00 0.76 H new ATOM 0 HG2 ARG A 91 16.266 -2.643 9.030 1.00 0.98 H new ATOM 0 HG3 ARG A 91 16.446 -1.888 10.601 1.00 0.98 H new ATOM 0 HD2 ARG A 91 14.336 -2.677 11.375 1.00 1.91 H new ATOM 0 HD3 ARG A 91 13.723 -2.928 9.753 1.00 1.91 H new ATOM 0 HE ARG A 91 14.631 -5.060 9.737 1.00 2.43 H new ATOM 0 HH11 ARG A 91 16.213 -3.207 12.310 1.00 3.23 H new ATOM 0 HH12 ARG A 91 17.051 -4.617 12.966 1.00 3.23 H new ATOM 0 HH21 ARG A 91 15.688 -6.871 10.584 1.00 3.53 H new ATOM 0 HH22 ARG A 91 16.752 -6.702 11.984 1.00 3.53 H new ATOM 1354 N ILE A 92 13.114 0.958 7.674 1.00 0.65 N ATOM 1355 CA ILE A 92 11.838 1.664 7.549 1.00 0.66 C ATOM 1356 C ILE A 92 11.124 1.282 6.245 1.00 0.66 C ATOM 1357 O ILE A 92 9.913 1.083 6.259 1.00 0.71 O ATOM 1358 CB ILE A 92 11.965 3.187 7.774 1.00 0.70 C ATOM 1359 CG1 ILE A 92 13.003 3.882 6.900 1.00 1.20 C ATOM 1360 CG2 ILE A 92 12.261 3.490 9.242 1.00 1.98 C ATOM 1361 CD1 ILE A 92 12.372 4.761 5.820 1.00 1.55 C ATOM 0 H ILE A 92 13.934 1.563 7.728 1.00 0.65 H new ATOM 0 HA ILE A 92 11.195 1.329 8.363 1.00 0.66 H new ATOM 0 HB ILE A 92 10.997 3.592 7.479 1.00 0.70 H new ATOM 0 HG12 ILE A 92 13.650 4.494 7.528 1.00 1.20 H new ATOM 0 HG13 ILE A 92 13.636 3.131 6.427 1.00 1.20 H new ATOM 0 HG21 ILE A 92 12.347 4.568 9.381 1.00 1.98 H new ATOM 0 HG22 ILE A 92 11.451 3.108 9.863 1.00 1.98 H new ATOM 0 HG23 ILE A 92 13.197 3.011 9.531 1.00 1.98 H new ATOM 0 HD11 ILE A 92 13.158 5.231 5.228 1.00 1.55 H new ATOM 0 HD12 ILE A 92 11.747 4.148 5.171 1.00 1.55 H new ATOM 0 HD13 ILE A 92 11.761 5.532 6.289 1.00 1.55 H new ATOM 1373 N GLU A 93 11.866 1.096 5.150 1.00 0.65 N ATOM 1374 CA GLU A 93 11.394 0.629 3.857 1.00 0.67 C ATOM 1375 C GLU A 93 10.506 -0.594 4.049 1.00 0.66 C ATOM 1376 O GLU A 93 9.328 -0.564 3.708 1.00 0.61 O ATOM 1377 CB GLU A 93 12.625 0.309 2.992 1.00 0.84 C ATOM 1378 CG GLU A 93 12.309 -0.346 1.650 1.00 1.07 C ATOM 1379 CD GLU A 93 13.579 -0.847 0.981 1.00 1.55 C ATOM 1380 OE1 GLU A 93 14.134 -1.839 1.507 1.00 2.60 O ATOM 1381 OE2 GLU A 93 13.993 -0.230 -0.021 1.00 2.52 O ATOM 0 H GLU A 93 12.869 1.280 5.149 1.00 0.65 H new ATOM 0 HA GLU A 93 10.795 1.390 3.357 1.00 0.67 H new ATOM 0 HB2 GLU A 93 13.174 1.233 2.810 1.00 0.84 H new ATOM 0 HB3 GLU A 93 13.287 -0.349 3.555 1.00 0.84 H new ATOM 0 HG2 GLU A 93 11.619 -1.177 1.799 1.00 1.07 H new ATOM 0 HG3 GLU A 93 11.808 0.371 0.999 1.00 1.07 H new ATOM 1388 N LYS A 94 11.060 -1.658 4.642 1.00 0.75 N ATOM 1389 CA LYS A 94 10.311 -2.891 4.844 1.00 0.79 C ATOM 1390 C LYS A 94 9.096 -2.680 5.751 1.00 0.78 C ATOM 1391 O LYS A 94 8.166 -3.486 5.698 1.00 0.90 O ATOM 1392 CB LYS A 94 11.211 -4.033 5.353 1.00 0.81 C ATOM 1393 CG LYS A 94 11.576 -5.007 4.219 1.00 1.23 C ATOM 1394 CD LYS A 94 12.568 -4.393 3.225 1.00 1.13 C ATOM 1395 CE LYS A 94 14.012 -4.602 3.698 1.00 2.15 C ATOM 1396 NZ LYS A 94 14.894 -3.532 3.204 1.00 3.47 N ATOM 0 H LYS A 94 12.020 -1.685 4.987 1.00 0.75 H new ATOM 0 HA LYS A 94 9.932 -3.193 3.868 1.00 0.79 H new ATOM 0 HB2 LYS A 94 12.121 -3.616 5.784 1.00 0.81 H new ATOM 0 HB3 LYS A 94 10.700 -4.574 6.149 1.00 0.81 H new ATOM 0 HG2 LYS A 94 12.006 -5.914 4.645 1.00 1.23 H new ATOM 0 HG3 LYS A 94 10.670 -5.302 3.690 1.00 1.23 H new ATOM 0 HD2 LYS A 94 12.433 -4.846 2.243 1.00 1.13 H new ATOM 0 HD3 LYS A 94 12.367 -3.327 3.115 1.00 1.13 H new ATOM 0 HE2 LYS A 94 14.041 -4.627 4.787 1.00 2.15 H new ATOM 0 HE3 LYS A 94 14.376 -5.568 3.348 1.00 2.15 H new ATOM 0 HZ1 LYS A 94 15.751 -3.952 2.791 1.00 3.47 H new ATOM 0 HZ2 LYS A 94 14.395 -2.979 2.478 1.00 3.47 H new ATOM 0 HZ3 LYS A 94 15.159 -2.909 3.993 1.00 3.47 H new ATOM 1410 N ARG A 95 9.081 -1.629 6.581 1.00 0.68 N ATOM 1411 CA ARG A 95 7.839 -1.263 7.253 1.00 0.63 C ATOM 1412 C ARG A 95 6.882 -0.629 6.248 1.00 0.48 C ATOM 1413 O ARG A 95 5.874 -1.233 5.880 1.00 0.48 O ATOM 1414 CB ARG A 95 8.100 -0.352 8.462 1.00 0.70 C ATOM 1415 CG ARG A 95 7.907 -1.112 9.776 1.00 1.40 C ATOM 1416 CD ARG A 95 9.008 -2.165 9.971 1.00 1.14 C ATOM 1417 NE ARG A 95 8.922 -2.795 11.299 1.00 1.70 N ATOM 1418 CZ ARG A 95 8.025 -3.725 11.668 1.00 1.89 C ATOM 1419 NH1 ARG A 95 7.174 -4.223 10.765 1.00 2.37 N ATOM 1420 NH2 ARG A 95 7.985 -4.145 12.937 1.00 2.93 N ATOM 0 H ARG A 95 9.885 -1.039 6.795 1.00 0.68 H new ATOM 0 HA ARG A 95 7.370 -2.164 7.648 1.00 0.63 H new ATOM 0 HB2 ARG A 95 9.115 0.042 8.412 1.00 0.70 H new ATOM 0 HB3 ARG A 95 7.424 0.503 8.430 1.00 0.70 H new ATOM 0 HG2 ARG A 95 7.918 -0.411 10.610 1.00 1.40 H new ATOM 0 HG3 ARG A 95 6.931 -1.597 9.780 1.00 1.40 H new ATOM 0 HD2 ARG A 95 8.923 -2.929 9.198 1.00 1.14 H new ATOM 0 HD3 ARG A 95 9.985 -1.698 9.851 1.00 1.14 H new ATOM 0 HE ARG A 95 9.602 -2.500 12.000 1.00 1.70 H new ATOM 0 HH11 ARG A 95 7.207 -3.897 9.799 1.00 2.37 H new ATOM 0 HH12 ARG A 95 6.492 -4.929 11.042 1.00 2.37 H new ATOM 0 HH21 ARG A 95 8.635 -3.759 13.623 1.00 2.93 H new ATOM 0 HH22 ARG A 95 7.305 -4.851 13.219 1.00 2.93 H new ATOM 1434 N LEU A 96 7.214 0.594 5.821 1.00 0.37 N ATOM 1435 CA LEU A 96 6.382 1.428 4.968 1.00 0.33 C ATOM 1436 C LEU A 96 5.792 0.615 3.813 1.00 0.36 C ATOM 1437 O LEU A 96 4.589 0.684 3.591 1.00 0.40 O ATOM 1438 CB LEU A 96 7.159 2.657 4.490 1.00 0.36 C ATOM 1439 CG LEU A 96 7.204 3.754 5.574 1.00 0.45 C ATOM 1440 CD1 LEU A 96 8.622 4.291 5.738 1.00 0.96 C ATOM 1441 CD2 LEU A 96 6.272 4.915 5.205 1.00 1.65 C ATOM 0 H LEU A 96 8.098 1.038 6.071 1.00 0.37 H new ATOM 0 HA LEU A 96 5.538 1.795 5.552 1.00 0.33 H new ATOM 0 HB2 LEU A 96 8.175 2.366 4.223 1.00 0.36 H new ATOM 0 HB3 LEU A 96 6.694 3.054 3.588 1.00 0.36 H new ATOM 0 HG LEU A 96 6.875 3.307 6.512 1.00 0.45 H new ATOM 0 HD11 LEU A 96 8.632 5.063 6.507 1.00 0.96 H new ATOM 0 HD12 LEU A 96 9.287 3.479 6.031 1.00 0.96 H new ATOM 0 HD13 LEU A 96 8.962 4.715 4.793 1.00 0.96 H new ATOM 0 HD21 LEU A 96 6.317 5.679 5.981 1.00 1.65 H new ATOM 0 HD22 LEU A 96 6.586 5.345 4.254 1.00 1.65 H new ATOM 0 HD23 LEU A 96 5.250 4.547 5.117 1.00 1.65 H new ATOM 1453 N ASN A 97 6.625 -0.198 3.146 1.00 0.41 N ATOM 1454 CA ASN A 97 6.265 -1.153 2.093 1.00 0.53 C ATOM 1455 C ASN A 97 4.855 -1.713 2.252 1.00 0.58 C ATOM 1456 O ASN A 97 4.105 -1.761 1.280 1.00 0.62 O ATOM 1457 CB ASN A 97 7.236 -2.352 2.085 1.00 0.67 C ATOM 1458 CG ASN A 97 8.329 -2.279 1.024 1.00 1.39 C ATOM 1459 OD1 ASN A 97 9.502 -2.471 1.322 1.00 3.38 O ATOM 1460 ND2 ASN A 97 7.956 -2.081 -0.238 1.00 1.05 N ATOM 0 H ASN A 97 7.626 -0.205 3.340 1.00 0.41 H new ATOM 0 HA ASN A 97 6.321 -0.591 1.161 1.00 0.53 H new ATOM 0 HB2 ASN A 97 7.705 -2.429 3.066 1.00 0.67 H new ATOM 0 HB3 ASN A 97 6.662 -3.266 1.934 1.00 0.67 H new ATOM 0 HD21 ASN A 97 8.653 -2.087 -0.983 1.00 1.05 H new ATOM 0 HD22 ASN A 97 6.973 -1.923 -0.461 1.00 1.05 H new ATOM 1467 N LYS A 98 4.526 -2.195 3.456 1.00 0.60 N ATOM 1468 CA LYS A 98 3.194 -2.690 3.763 1.00 0.65 C ATOM 1469 C LYS A 98 2.941 -2.561 5.268 1.00 0.67 C ATOM 1470 O LYS A 98 2.970 -3.547 5.998 1.00 0.86 O ATOM 1471 CB LYS A 98 2.933 -4.081 3.132 1.00 0.70 C ATOM 1472 CG LYS A 98 3.656 -5.274 3.786 1.00 1.01 C ATOM 1473 CD LYS A 98 2.670 -6.120 4.622 1.00 2.70 C ATOM 1474 CE LYS A 98 3.294 -6.759 5.874 1.00 3.73 C ATOM 1475 NZ LYS A 98 4.035 -8.013 5.603 1.00 4.32 N ATOM 0 H LYS A 98 5.179 -2.250 4.238 1.00 0.60 H new ATOM 0 HA LYS A 98 2.433 -2.072 3.287 1.00 0.65 H new ATOM 0 HB2 LYS A 98 1.861 -4.274 3.160 1.00 0.70 H new ATOM 0 HB3 LYS A 98 3.222 -4.040 2.082 1.00 0.70 H new ATOM 0 HG2 LYS A 98 4.113 -5.895 3.016 1.00 1.01 H new ATOM 0 HG3 LYS A 98 4.463 -4.912 4.423 1.00 1.01 H new ATOM 0 HD2 LYS A 98 1.835 -5.489 4.927 1.00 2.70 H new ATOM 0 HD3 LYS A 98 2.260 -6.909 3.991 1.00 2.70 H new ATOM 0 HE2 LYS A 98 3.971 -6.041 6.337 1.00 3.73 H new ATOM 0 HE3 LYS A 98 2.504 -6.964 6.597 1.00 3.73 H new ATOM 0 HZ1 LYS A 98 4.426 -8.384 6.492 1.00 4.32 H new ATOM 0 HZ2 LYS A 98 3.389 -8.715 5.189 1.00 4.32 H new ATOM 0 HZ3 LYS A 98 4.811 -7.821 4.937 1.00 4.32 H new ATOM 1489 N ILE A 99 2.688 -1.334 5.732 1.00 0.56 N ATOM 1490 CA ILE A 99 2.104 -1.130 7.055 1.00 0.59 C ATOM 1491 C ILE A 99 0.697 -1.725 7.032 1.00 0.68 C ATOM 1492 O ILE A 99 0.463 -2.768 7.637 1.00 1.08 O ATOM 1493 CB ILE A 99 2.157 0.359 7.456 1.00 0.57 C ATOM 1494 CG1 ILE A 99 3.601 0.814 7.737 1.00 0.62 C ATOM 1495 CG2 ILE A 99 1.263 0.673 8.665 1.00 0.71 C ATOM 1496 CD1 ILE A 99 4.273 0.137 8.939 1.00 1.39 C ATOM 0 H ILE A 99 2.877 -0.476 5.214 1.00 0.56 H new ATOM 0 HA ILE A 99 2.675 -1.641 7.830 1.00 0.59 H new ATOM 0 HB ILE A 99 1.771 0.918 6.603 1.00 0.57 H new ATOM 0 HG12 ILE A 99 4.204 0.626 6.849 1.00 0.62 H new ATOM 0 HG13 ILE A 99 3.601 1.892 7.900 1.00 0.62 H new ATOM 0 HG21 ILE A 99 1.337 1.733 8.906 1.00 0.71 H new ATOM 0 HG22 ILE A 99 0.229 0.426 8.426 1.00 0.71 H new ATOM 0 HG23 ILE A 99 1.589 0.083 9.521 1.00 0.71 H new ATOM 0 HD11 ILE A 99 5.286 0.523 9.055 1.00 1.39 H new ATOM 0 HD12 ILE A 99 3.699 0.346 9.842 1.00 1.39 H new ATOM 0 HD13 ILE A 99 4.312 -0.940 8.775 1.00 1.39 H new ATOM 1508 N GLU A 100 -0.205 -1.092 6.279 1.00 0.55 N ATOM 1509 CA GLU A 100 -1.551 -1.586 6.042 1.00 0.60 C ATOM 1510 C GLU A 100 -1.939 -1.277 4.594 1.00 0.59 C ATOM 1511 O GLU A 100 -1.475 -1.949 3.674 1.00 0.87 O ATOM 1512 CB GLU A 100 -2.523 -0.977 7.062 1.00 0.65 C ATOM 1513 CG GLU A 100 -2.331 -1.534 8.478 1.00 0.97 C ATOM 1514 CD GLU A 100 -3.513 -1.189 9.376 1.00 1.72 C ATOM 1515 OE1 GLU A 100 -4.229 -0.226 9.027 1.00 2.48 O ATOM 1516 OE2 GLU A 100 -3.693 -1.917 10.376 1.00 2.37 O ATOM 0 H GLU A 100 -0.011 -0.207 5.811 1.00 0.55 H new ATOM 0 HA GLU A 100 -1.596 -2.666 6.178 1.00 0.60 H new ATOM 0 HB2 GLU A 100 -2.390 0.105 7.082 1.00 0.65 H new ATOM 0 HB3 GLU A 100 -3.547 -1.166 6.739 1.00 0.65 H new ATOM 0 HG2 GLU A 100 -2.211 -2.616 8.432 1.00 0.97 H new ATOM 0 HG3 GLU A 100 -1.415 -1.130 8.909 1.00 0.97 H new ATOM 1523 N GLY A 101 -2.756 -0.244 4.372 1.00 0.55 N ATOM 1524 CA GLY A 101 -3.294 0.098 3.065 1.00 0.57 C ATOM 1525 C GLY A 101 -2.280 0.876 2.231 1.00 0.56 C ATOM 1526 O GLY A 101 -2.562 1.978 1.763 1.00 0.67 O ATOM 0 H GLY A 101 -3.064 0.386 5.113 1.00 0.55 H new ATOM 0 HA2 GLY A 101 -3.579 -0.812 2.538 1.00 0.57 H new ATOM 0 HA3 GLY A 101 -4.200 0.692 3.187 1.00 0.57 H new ATOM 1530 N VAL A 102 -1.095 0.296 2.061 1.00 0.57 N ATOM 1531 CA VAL A 102 0.014 0.877 1.326 1.00 0.54 C ATOM 1532 C VAL A 102 0.168 0.122 0.012 1.00 0.55 C ATOM 1533 O VAL A 102 0.343 -1.096 0.015 1.00 0.60 O ATOM 1534 CB VAL A 102 1.294 0.855 2.176 1.00 0.58 C ATOM 1535 CG1 VAL A 102 2.401 1.609 1.431 1.00 0.59 C ATOM 1536 CG2 VAL A 102 1.065 1.492 3.554 1.00 0.58 C ATOM 0 H VAL A 102 -0.878 -0.623 2.446 1.00 0.57 H new ATOM 0 HA VAL A 102 -0.182 1.925 1.099 1.00 0.54 H new ATOM 0 HB VAL A 102 1.587 -0.183 2.336 1.00 0.58 H new ATOM 0 HG11 VAL A 102 3.313 1.598 2.027 1.00 0.59 H new ATOM 0 HG12 VAL A 102 2.589 1.126 0.472 1.00 0.59 H new ATOM 0 HG13 VAL A 102 2.089 2.640 1.263 1.00 0.59 H new ATOM 0 HG21 VAL A 102 1.991 1.459 4.128 1.00 0.58 H new ATOM 0 HG22 VAL A 102 0.752 2.529 3.428 1.00 0.58 H new ATOM 0 HG23 VAL A 102 0.289 0.941 4.085 1.00 0.58 H new ATOM 1546 N ALA A 103 0.106 0.843 -1.111 1.00 0.54 N ATOM 1547 CA ALA A 103 0.432 0.264 -2.397 1.00 0.55 C ATOM 1548 C ALA A 103 1.934 0.011 -2.441 1.00 0.53 C ATOM 1549 O ALA A 103 2.351 -1.119 -2.686 1.00 0.57 O ATOM 1550 CB ALA A 103 -0.008 1.163 -3.555 1.00 0.59 C ATOM 0 H ALA A 103 -0.167 1.825 -1.146 1.00 0.54 H new ATOM 0 HA ALA A 103 -0.109 -0.675 -2.515 1.00 0.55 H new ATOM 0 HB1 ALA A 103 0.255 0.692 -4.502 1.00 0.59 H new ATOM 0 HB2 ALA A 103 -1.087 1.311 -3.511 1.00 0.59 H new ATOM 0 HB3 ALA A 103 0.494 2.127 -3.478 1.00 0.59 H new ATOM 1556 N ASN A 104 2.738 1.054 -2.193 1.00 0.50 N ATOM 1557 CA ASN A 104 4.198 0.988 -2.292 1.00 0.52 C ATOM 1558 C ASN A 104 4.829 2.036 -1.381 1.00 0.47 C ATOM 1559 O ASN A 104 4.138 2.914 -0.864 1.00 0.46 O ATOM 1560 CB ASN A 104 4.693 1.247 -3.727 1.00 0.59 C ATOM 1561 CG ASN A 104 4.149 0.276 -4.763 1.00 0.60 C ATOM 1562 OD1 ASN A 104 4.524 -0.894 -4.786 1.00 0.73 O ATOM 1563 ND2 ASN A 104 3.289 0.758 -5.651 1.00 0.58 N ATOM 0 H ASN A 104 2.389 1.972 -1.917 1.00 0.50 H new ATOM 0 HA ASN A 104 4.490 -0.019 -1.993 1.00 0.52 H new ATOM 0 HB2 ASN A 104 4.417 2.261 -4.016 1.00 0.59 H new ATOM 0 HB3 ASN A 104 5.782 1.198 -3.737 1.00 0.59 H new ATOM 0 HD21 ASN A 104 2.918 0.152 -6.382 1.00 0.58 H new ATOM 0 HD22 ASN A 104 2.999 1.735 -5.602 1.00 0.58 H new ATOM 1570 N ALA A 105 6.156 1.976 -1.227 1.00 0.45 N ATOM 1571 CA ALA A 105 6.902 2.988 -0.486 1.00 0.40 C ATOM 1572 C ALA A 105 8.408 2.977 -0.796 1.00 0.43 C ATOM 1573 O ALA A 105 9.194 2.560 0.054 1.00 0.46 O ATOM 1574 CB ALA A 105 6.668 2.816 1.018 1.00 0.40 C ATOM 0 H ALA A 105 6.736 1.229 -1.611 1.00 0.45 H new ATOM 0 HA ALA A 105 6.526 3.958 -0.811 1.00 0.40 H new ATOM 0 HB1 ALA A 105 7.229 3.576 1.563 1.00 0.40 H new ATOM 0 HB2 ALA A 105 5.605 2.924 1.236 1.00 0.40 H new ATOM 0 HB3 ALA A 105 7.003 1.826 1.328 1.00 0.40 H new ATOM 1580 N PRO A 106 8.846 3.409 -1.989 1.00 0.44 N ATOM 1581 CA PRO A 106 10.261 3.433 -2.326 1.00 0.48 C ATOM 1582 C PRO A 106 10.997 4.548 -1.565 1.00 0.45 C ATOM 1583 O PRO A 106 10.591 5.713 -1.603 1.00 0.44 O ATOM 1584 CB PRO A 106 10.314 3.622 -3.844 1.00 0.53 C ATOM 1585 CG PRO A 106 9.022 4.377 -4.152 1.00 0.50 C ATOM 1586 CD PRO A 106 8.033 3.837 -3.116 1.00 0.45 C ATOM 0 HA PRO A 106 10.768 2.514 -2.033 1.00 0.48 H new ATOM 0 HB2 PRO A 106 11.193 4.190 -4.148 1.00 0.53 H new ATOM 0 HB3 PRO A 106 10.355 2.666 -4.367 1.00 0.53 H new ATOM 0 HG2 PRO A 106 9.155 5.455 -4.056 1.00 0.50 H new ATOM 0 HG3 PRO A 106 8.680 4.188 -5.169 1.00 0.50 H new ATOM 0 HD2 PRO A 106 7.320 4.605 -2.816 1.00 0.45 H new ATOM 0 HD3 PRO A 106 7.455 3.006 -3.521 1.00 0.45 H new ATOM 1594 N VAL A 107 12.089 4.176 -0.886 1.00 0.58 N ATOM 1595 CA VAL A 107 12.992 5.089 -0.191 1.00 0.54 C ATOM 1596 C VAL A 107 14.090 5.578 -1.149 1.00 0.57 C ATOM 1597 O VAL A 107 14.429 4.878 -2.102 1.00 0.66 O ATOM 1598 CB VAL A 107 13.590 4.406 1.058 1.00 0.57 C ATOM 1599 CG1 VAL A 107 12.501 3.960 2.043 1.00 1.60 C ATOM 1600 CG2 VAL A 107 14.463 3.187 0.726 1.00 1.71 C ATOM 0 H VAL A 107 12.374 3.200 -0.805 1.00 0.58 H new ATOM 0 HA VAL A 107 12.430 5.960 0.146 1.00 0.54 H new ATOM 0 HB VAL A 107 14.219 5.170 1.514 1.00 0.57 H new ATOM 0 HG11 VAL A 107 12.965 3.484 2.907 1.00 1.60 H new ATOM 0 HG12 VAL A 107 11.929 4.828 2.370 1.00 1.60 H new ATOM 0 HG13 VAL A 107 11.835 3.250 1.552 1.00 1.60 H new ATOM 0 HG21 VAL A 107 14.851 2.755 1.649 1.00 1.71 H new ATOM 0 HG22 VAL A 107 13.864 2.443 0.201 1.00 1.71 H new ATOM 0 HG23 VAL A 107 15.294 3.496 0.092 1.00 1.71 H new ATOM 1610 N ASN A 108 14.669 6.759 -0.896 1.00 0.62 N ATOM 1611 CA ASN A 108 15.753 7.332 -1.689 1.00 0.69 C ATOM 1612 C ASN A 108 16.869 7.850 -0.789 1.00 0.71 C ATOM 1613 O ASN A 108 16.642 8.710 0.062 1.00 1.75 O ATOM 1614 CB ASN A 108 15.256 8.519 -2.514 1.00 0.87 C ATOM 1615 CG ASN A 108 14.352 8.101 -3.668 1.00 1.33 C ATOM 1616 OD1 ASN A 108 13.155 8.357 -3.654 1.00 1.33 O ATOM 1617 ND2 ASN A 108 14.921 7.476 -4.697 1.00 2.39 N ATOM 0 H ASN A 108 14.387 7.352 -0.116 1.00 0.62 H new ATOM 0 HA ASN A 108 16.121 6.539 -2.340 1.00 0.69 H new ATOM 0 HB2 ASN A 108 14.713 9.205 -1.864 1.00 0.87 H new ATOM 0 HB3 ASN A 108 16.113 9.065 -2.909 1.00 0.87 H new ATOM 0 HD21 ASN A 108 14.357 7.198 -5.500 1.00 2.39 H new ATOM 0 HD22 ASN A 108 15.921 7.275 -4.682 1.00 2.39 H new ATOM 1624 N PHE A 109 18.095 7.387 -1.056 1.00 0.79 N ATOM 1625 CA PHE A 109 19.290 7.737 -0.296 1.00 0.75 C ATOM 1626 C PHE A 109 20.043 8.938 -0.879 1.00 0.88 C ATOM 1627 O PHE A 109 21.074 9.329 -0.343 1.00 1.31 O ATOM 1628 CB PHE A 109 20.203 6.502 -0.204 1.00 0.81 C ATOM 1629 CG PHE A 109 20.678 6.233 1.204 1.00 1.17 C ATOM 1630 CD1 PHE A 109 19.730 5.881 2.179 1.00 1.85 C ATOM 1631 CD2 PHE A 109 22.001 6.526 1.586 1.00 2.46 C ATOM 1632 CE1 PHE A 109 20.081 5.895 3.535 1.00 2.22 C ATOM 1633 CE2 PHE A 109 22.365 6.482 2.942 1.00 2.96 C ATOM 1634 CZ PHE A 109 21.401 6.188 3.922 1.00 2.37 C ATOM 0 H PHE A 109 18.283 6.744 -1.825 1.00 0.79 H new ATOM 0 HA PHE A 109 18.975 8.044 0.701 1.00 0.75 H new ATOM 0 HB2 PHE A 109 19.665 5.629 -0.575 1.00 0.81 H new ATOM 0 HB3 PHE A 109 21.067 6.644 -0.854 1.00 0.81 H new ATOM 0 HD1 PHE A 109 18.730 5.599 1.883 1.00 1.85 H new ATOM 0 HD2 PHE A 109 22.735 6.784 0.837 1.00 2.46 H new ATOM 0 HE1 PHE A 109 19.335 5.680 4.286 1.00 2.22 H new ATOM 0 HE2 PHE A 109 23.387 6.674 3.232 1.00 2.96 H new ATOM 0 HZ PHE A 109 21.673 6.187 4.967 1.00 2.37 H new ATOM 1644 N ALA A 110 19.553 9.505 -1.987 1.00 0.79 N ATOM 1645 CA ALA A 110 20.141 10.686 -2.609 1.00 1.00 C ATOM 1646 C ALA A 110 19.457 11.937 -2.066 1.00 1.07 C ATOM 1647 O ALA A 110 20.106 12.924 -1.741 1.00 1.24 O ATOM 1648 CB ALA A 110 19.982 10.602 -4.130 1.00 1.14 C ATOM 0 H ALA A 110 18.731 9.151 -2.477 1.00 0.79 H new ATOM 0 HA ALA A 110 21.204 10.736 -2.374 1.00 1.00 H new ATOM 0 HB1 ALA A 110 20.422 11.486 -4.591 1.00 1.14 H new ATOM 0 HB2 ALA A 110 20.487 9.710 -4.500 1.00 1.14 H new ATOM 0 HB3 ALA A 110 18.923 10.550 -4.383 1.00 1.14 H new ATOM 1654 N LEU A 111 18.125 11.882 -2.002 1.00 1.05 N ATOM 1655 CA LEU A 111 17.298 12.982 -1.535 1.00 1.18 C ATOM 1656 C LEU A 111 17.162 12.950 -0.009 1.00 0.94 C ATOM 1657 O LEU A 111 16.848 13.977 0.580 1.00 0.97 O ATOM 1658 CB LEU A 111 15.914 12.906 -2.196 1.00 1.36 C ATOM 1659 CG LEU A 111 15.924 12.624 -3.709 1.00 1.42 C ATOM 1660 CD1 LEU A 111 14.487 12.672 -4.240 1.00 1.68 C ATOM 1661 CD2 LEU A 111 16.784 13.630 -4.484 1.00 1.54 C ATOM 0 H LEU A 111 17.589 11.059 -2.278 1.00 1.05 H new ATOM 0 HA LEU A 111 17.776 13.922 -1.812 1.00 1.18 H new ATOM 0 HB2 LEU A 111 15.335 12.126 -1.701 1.00 1.36 H new ATOM 0 HB3 LEU A 111 15.394 13.848 -2.022 1.00 1.36 H new ATOM 0 HG LEU A 111 16.359 11.636 -3.858 1.00 1.42 H new ATOM 0 HD11 LEU A 111 14.488 12.473 -5.312 1.00 1.68 H new ATOM 0 HD12 LEU A 111 13.886 11.918 -3.732 1.00 1.68 H new ATOM 0 HD13 LEU A 111 14.064 13.659 -4.055 1.00 1.68 H new ATOM 0 HD21 LEU A 111 16.758 13.388 -5.546 1.00 1.54 H new ATOM 0 HD22 LEU A 111 16.393 14.636 -4.331 1.00 1.54 H new ATOM 0 HD23 LEU A 111 17.812 13.582 -4.126 1.00 1.54 H new ATOM 1673 N GLU A 112 17.326 11.764 0.599 1.00 0.84 N ATOM 1674 CA GLU A 112 17.044 11.477 2.001 1.00 0.74 C ATOM 1675 C GLU A 112 15.535 11.533 2.263 1.00 0.56 C ATOM 1676 O GLU A 112 15.075 12.038 3.286 1.00 0.57 O ATOM 1677 CB GLU A 112 17.878 12.354 2.952 1.00 0.99 C ATOM 1678 CG GLU A 112 19.376 12.085 2.764 1.00 1.20 C ATOM 1679 CD GLU A 112 20.222 13.029 3.609 1.00 1.71 C ATOM 1680 OE1 GLU A 112 20.489 12.660 4.772 1.00 2.52 O ATOM 1681 OE2 GLU A 112 20.588 14.097 3.075 1.00 2.76 O ATOM 0 H GLU A 112 17.675 10.947 0.098 1.00 0.84 H new ATOM 0 HA GLU A 112 17.361 10.457 2.220 1.00 0.74 H new ATOM 0 HB2 GLU A 112 17.666 13.406 2.764 1.00 0.99 H new ATOM 0 HB3 GLU A 112 17.594 12.151 3.985 1.00 0.99 H new ATOM 0 HG2 GLU A 112 19.599 11.053 3.036 1.00 1.20 H new ATOM 0 HG3 GLU A 112 19.639 12.201 1.713 1.00 1.20 H new ATOM 1688 N THR A 113 14.755 10.974 1.329 1.00 0.47 N ATOM 1689 CA THR A 113 13.300 11.023 1.371 1.00 0.37 C ATOM 1690 C THR A 113 12.729 9.657 0.997 1.00 0.40 C ATOM 1691 O THR A 113 13.440 8.828 0.428 1.00 0.52 O ATOM 1692 CB THR A 113 12.763 12.169 0.490 1.00 0.51 C ATOM 1693 OG1 THR A 113 12.827 11.838 -0.880 1.00 0.74 O ATOM 1694 CG2 THR A 113 13.547 13.469 0.701 1.00 0.64 C ATOM 0 H THR A 113 15.124 10.473 0.521 1.00 0.47 H new ATOM 0 HA THR A 113 12.968 11.245 2.385 1.00 0.37 H new ATOM 0 HB THR A 113 11.726 12.318 0.790 1.00 0.51 H new ATOM 0 HG1 THR A 113 12.478 12.583 -1.413 1.00 0.74 H new ATOM 0 HG21 THR A 113 13.136 14.250 0.061 1.00 0.64 H new ATOM 0 HG22 THR A 113 13.469 13.776 1.744 1.00 0.64 H new ATOM 0 HG23 THR A 113 14.595 13.307 0.448 1.00 0.64 H new ATOM 1702 N VAL A 114 11.462 9.421 1.326 1.00 0.38 N ATOM 1703 CA VAL A 114 10.680 8.265 0.931 1.00 0.39 C ATOM 1704 C VAL A 114 9.407 8.770 0.272 1.00 0.38 C ATOM 1705 O VAL A 114 8.717 9.627 0.825 1.00 0.36 O ATOM 1706 CB VAL A 114 10.402 7.342 2.136 1.00 0.40 C ATOM 1707 CG1 VAL A 114 9.740 8.047 3.328 1.00 0.40 C ATOM 1708 CG2 VAL A 114 9.529 6.139 1.754 1.00 0.44 C ATOM 0 H VAL A 114 10.930 10.069 1.907 1.00 0.38 H new ATOM 0 HA VAL A 114 11.231 7.653 0.217 1.00 0.39 H new ATOM 0 HB VAL A 114 11.394 7.011 2.442 1.00 0.40 H new ATOM 0 HG11 VAL A 114 9.579 7.329 4.132 1.00 0.40 H new ATOM 0 HG12 VAL A 114 10.388 8.849 3.682 1.00 0.40 H new ATOM 0 HG13 VAL A 114 8.782 8.465 3.018 1.00 0.40 H new ATOM 0 HG21 VAL A 114 9.360 5.518 2.634 1.00 0.44 H new ATOM 0 HG22 VAL A 114 8.572 6.491 1.369 1.00 0.44 H new ATOM 0 HG23 VAL A 114 10.034 5.552 0.987 1.00 0.44 H new ATOM 1718 N THR A 115 9.089 8.223 -0.898 1.00 0.41 N ATOM 1719 CA THR A 115 7.765 8.395 -1.462 1.00 0.42 C ATOM 1720 C THR A 115 6.916 7.311 -0.816 1.00 0.43 C ATOM 1721 O THR A 115 7.321 6.152 -0.824 1.00 0.60 O ATOM 1722 CB THR A 115 7.820 8.236 -2.984 1.00 0.50 C ATOM 1723 OG1 THR A 115 8.676 9.224 -3.520 1.00 0.57 O ATOM 1724 CG2 THR A 115 6.433 8.376 -3.614 1.00 0.57 C ATOM 0 H THR A 115 9.726 7.664 -1.465 1.00 0.41 H new ATOM 0 HA THR A 115 7.351 9.385 -1.271 1.00 0.42 H new ATOM 0 HB THR A 115 8.196 7.238 -3.210 1.00 0.50 H new ATOM 0 HG1 THR A 115 8.718 9.127 -4.494 1.00 0.57 H new ATOM 0 HG21 THR A 115 6.511 8.257 -4.695 1.00 0.57 H new ATOM 0 HG22 THR A 115 5.771 7.609 -3.211 1.00 0.57 H new ATOM 0 HG23 THR A 115 6.027 9.361 -3.385 1.00 0.57 H new ATOM 1732 N VAL A 116 5.769 7.671 -0.244 1.00 0.37 N ATOM 1733 CA VAL A 116 4.811 6.720 0.296 1.00 0.37 C ATOM 1734 C VAL A 116 3.589 6.730 -0.621 1.00 0.40 C ATOM 1735 O VAL A 116 2.965 7.773 -0.809 1.00 0.43 O ATOM 1736 CB VAL A 116 4.507 7.039 1.772 1.00 0.40 C ATOM 1737 CG1 VAL A 116 3.792 8.379 1.980 1.00 0.50 C ATOM 1738 CG2 VAL A 116 3.700 5.901 2.404 1.00 0.55 C ATOM 0 H VAL A 116 5.479 8.644 -0.143 1.00 0.37 H new ATOM 0 HA VAL A 116 5.207 5.705 0.312 1.00 0.37 H new ATOM 0 HB VAL A 116 5.473 7.131 2.269 1.00 0.40 H new ATOM 0 HG11 VAL A 116 3.612 8.534 3.044 1.00 0.50 H new ATOM 0 HG12 VAL A 116 4.415 9.187 1.596 1.00 0.50 H new ATOM 0 HG13 VAL A 116 2.840 8.370 1.448 1.00 0.50 H new ATOM 0 HG21 VAL A 116 3.492 6.138 3.447 1.00 0.55 H new ATOM 0 HG22 VAL A 116 2.761 5.778 1.865 1.00 0.55 H new ATOM 0 HG23 VAL A 116 4.273 4.975 2.350 1.00 0.55 H new ATOM 1748 N GLU A 117 3.272 5.580 -1.221 1.00 0.46 N ATOM 1749 CA GLU A 117 2.077 5.396 -2.023 1.00 0.50 C ATOM 1750 C GLU A 117 1.079 4.628 -1.168 1.00 0.50 C ATOM 1751 O GLU A 117 1.121 3.395 -1.143 1.00 0.49 O ATOM 1752 CB GLU A 117 2.405 4.590 -3.287 1.00 0.60 C ATOM 1753 CG GLU A 117 2.693 5.477 -4.492 1.00 0.78 C ATOM 1754 CD GLU A 117 2.960 4.679 -5.763 1.00 1.60 C ATOM 1755 OE1 GLU A 117 2.902 3.429 -5.687 1.00 2.27 O ATOM 1756 OE2 GLU A 117 3.222 5.345 -6.788 1.00 2.61 O ATOM 0 H GLU A 117 3.852 4.743 -1.158 1.00 0.46 H new ATOM 0 HA GLU A 117 1.670 6.359 -2.333 1.00 0.50 H new ATOM 0 HB2 GLU A 117 3.269 3.955 -3.094 1.00 0.60 H new ATOM 0 HB3 GLU A 117 1.570 3.929 -3.519 1.00 0.60 H new ATOM 0 HG2 GLU A 117 1.846 6.143 -4.658 1.00 0.78 H new ATOM 0 HG3 GLU A 117 3.556 6.107 -4.276 1.00 0.78 H new ATOM 1763 N TYR A 118 0.195 5.331 -0.457 1.00 0.54 N ATOM 1764 CA TYR A 118 -0.727 4.689 0.468 1.00 0.54 C ATOM 1765 C TYR A 118 -2.078 5.374 0.482 1.00 0.59 C ATOM 1766 O TYR A 118 -2.227 6.491 -0.010 1.00 0.67 O ATOM 1767 CB TYR A 118 -0.150 4.631 1.886 1.00 0.55 C ATOM 1768 CG TYR A 118 -0.302 5.901 2.703 1.00 0.56 C ATOM 1769 CD1 TYR A 118 0.325 7.092 2.298 1.00 1.85 C ATOM 1770 CD2 TYR A 118 -1.108 5.899 3.856 1.00 2.04 C ATOM 1771 CE1 TYR A 118 0.226 8.248 3.090 1.00 1.86 C ATOM 1772 CE2 TYR A 118 -1.202 7.052 4.650 1.00 2.07 C ATOM 1773 CZ TYR A 118 -0.526 8.225 4.276 1.00 0.69 C ATOM 1774 OH TYR A 118 -0.592 9.331 5.072 1.00 0.82 O ATOM 0 H TYR A 118 0.102 6.345 -0.508 1.00 0.54 H new ATOM 0 HA TYR A 118 -0.868 3.669 0.111 1.00 0.54 H new ATOM 0 HB2 TYR A 118 -0.632 3.814 2.423 1.00 0.55 H new ATOM 0 HB3 TYR A 118 0.910 4.387 1.819 1.00 0.55 H new ATOM 0 HD1 TYR A 118 0.885 7.118 1.375 1.00 1.85 H new ATOM 0 HD2 TYR A 118 -1.655 5.009 4.130 1.00 2.04 H new ATOM 0 HE1 TYR A 118 0.728 9.155 2.787 1.00 1.86 H new ATOM 0 HE2 TYR A 118 -1.796 7.037 5.552 1.00 2.07 H new ATOM 0 HH TYR A 118 -1.493 9.714 5.026 1.00 0.82 H new ATOM 1784 N ASN A 119 -3.068 4.647 0.998 1.00 0.55 N ATOM 1785 CA ASN A 119 -4.451 5.064 0.986 1.00 0.57 C ATOM 1786 C ASN A 119 -4.652 5.975 2.193 1.00 0.56 C ATOM 1787 O ASN A 119 -4.615 5.489 3.324 1.00 0.66 O ATOM 1788 CB ASN A 119 -5.364 3.823 0.997 1.00 0.66 C ATOM 1789 CG ASN A 119 -6.521 4.023 0.028 1.00 1.02 C ATOM 1790 OD1 ASN A 119 -6.381 3.756 -1.162 1.00 2.47 O ATOM 1791 ND2 ASN A 119 -7.655 4.502 0.514 1.00 1.78 N ATOM 0 H ASN A 119 -2.919 3.740 1.440 1.00 0.55 H new ATOM 0 HA ASN A 119 -4.711 5.619 0.085 1.00 0.57 H new ATOM 0 HB2 ASN A 119 -4.793 2.938 0.717 1.00 0.66 H new ATOM 0 HB3 ASN A 119 -5.746 3.651 2.003 1.00 0.66 H new ATOM 0 HD21 ASN A 119 -8.449 4.661 -0.106 1.00 1.78 H new ATOM 0 HD22 ASN A 119 -7.735 4.712 1.509 1.00 1.78 H new ATOM 1798 N PRO A 120 -4.856 7.290 1.998 1.00 0.53 N ATOM 1799 CA PRO A 120 -4.893 8.247 3.091 1.00 0.55 C ATOM 1800 C PRO A 120 -6.243 8.213 3.812 1.00 0.62 C ATOM 1801 O PRO A 120 -6.560 9.135 4.561 1.00 0.71 O ATOM 1802 CB PRO A 120 -4.658 9.600 2.414 1.00 0.54 C ATOM 1803 CG PRO A 120 -5.408 9.423 1.094 1.00 0.56 C ATOM 1804 CD PRO A 120 -5.093 7.970 0.734 1.00 0.55 C ATOM 0 HA PRO A 120 -4.148 8.032 3.857 1.00 0.55 H new ATOM 0 HB2 PRO A 120 -5.056 10.426 3.003 1.00 0.54 H new ATOM 0 HB3 PRO A 120 -3.598 9.801 2.258 1.00 0.54 H new ATOM 0 HG2 PRO A 120 -6.479 9.591 1.209 1.00 0.56 H new ATOM 0 HG3 PRO A 120 -5.057 10.117 0.330 1.00 0.56 H new ATOM 0 HD2 PRO A 120 -5.922 7.513 0.194 1.00 0.55 H new ATOM 0 HD3 PRO A 120 -4.218 7.908 0.087 1.00 0.55 H new ATOM 1812 N LYS A 121 -7.065 7.188 3.553 1.00 0.66 N ATOM 1813 CA LYS A 121 -8.311 6.985 4.281 1.00 0.73 C ATOM 1814 C LYS A 121 -8.065 5.968 5.397 1.00 0.78 C ATOM 1815 O LYS A 121 -8.280 6.263 6.570 1.00 1.02 O ATOM 1816 CB LYS A 121 -9.430 6.554 3.321 1.00 0.83 C ATOM 1817 CG LYS A 121 -9.507 7.398 2.043 1.00 1.59 C ATOM 1818 CD LYS A 121 -9.711 8.888 2.355 1.00 2.81 C ATOM 1819 CE LYS A 121 -10.052 9.691 1.093 1.00 4.15 C ATOM 1820 NZ LYS A 121 -11.373 9.322 0.541 1.00 4.72 N ATOM 0 H LYS A 121 -6.882 6.485 2.838 1.00 0.66 H new ATOM 0 HA LYS A 121 -8.643 7.917 4.738 1.00 0.73 H new ATOM 0 HB2 LYS A 121 -9.279 5.510 3.047 1.00 0.83 H new ATOM 0 HB3 LYS A 121 -10.386 6.612 3.842 1.00 0.83 H new ATOM 0 HG2 LYS A 121 -8.591 7.269 1.467 1.00 1.59 H new ATOM 0 HG3 LYS A 121 -10.328 7.041 1.421 1.00 1.59 H new ATOM 0 HD2 LYS A 121 -10.512 9.000 3.085 1.00 2.81 H new ATOM 0 HD3 LYS A 121 -8.806 9.292 2.810 1.00 2.81 H new ATOM 0 HE2 LYS A 121 -10.042 10.756 1.327 1.00 4.15 H new ATOM 0 HE3 LYS A 121 -9.284 9.523 0.338 1.00 4.15 H new ATOM 0 HZ1 LYS A 121 -11.678 10.044 -0.143 1.00 4.72 H new ATOM 0 HZ2 LYS A 121 -11.305 8.400 0.064 1.00 4.72 H new ATOM 0 HZ3 LYS A 121 -12.067 9.262 1.313 1.00 4.72 H new ATOM 1834 N GLU A 122 -7.598 4.777 5.018 1.00 0.68 N ATOM 1835 CA GLU A 122 -7.303 3.668 5.912 1.00 0.69 C ATOM 1836 C GLU A 122 -6.288 4.091 6.976 1.00 0.66 C ATOM 1837 O GLU A 122 -6.520 3.880 8.165 1.00 0.71 O ATOM 1838 CB GLU A 122 -6.790 2.481 5.075 1.00 0.70 C ATOM 1839 CG GLU A 122 -7.927 1.693 4.402 1.00 0.69 C ATOM 1840 CD GLU A 122 -8.845 2.592 3.592 1.00 1.99 C ATOM 1841 OE1 GLU A 122 -8.273 3.394 2.817 1.00 3.37 O ATOM 1842 OE2 GLU A 122 -10.079 2.514 3.780 1.00 2.67 O ATOM 0 H GLU A 122 -7.409 4.555 4.040 1.00 0.68 H new ATOM 0 HA GLU A 122 -8.207 3.362 6.439 1.00 0.69 H new ATOM 0 HB2 GLU A 122 -6.107 2.850 4.310 1.00 0.70 H new ATOM 0 HB3 GLU A 122 -6.218 1.810 5.716 1.00 0.70 H new ATOM 0 HG2 GLU A 122 -7.502 0.929 3.751 1.00 0.69 H new ATOM 0 HG3 GLU A 122 -8.509 1.175 5.164 1.00 0.69 H new ATOM 1849 N ALA A 123 -5.170 4.683 6.549 1.00 0.63 N ATOM 1850 CA ALA A 123 -4.146 5.209 7.441 1.00 0.58 C ATOM 1851 C ALA A 123 -3.978 6.703 7.178 1.00 0.51 C ATOM 1852 O ALA A 123 -4.639 7.271 6.310 1.00 0.53 O ATOM 1853 CB ALA A 123 -2.843 4.428 7.240 1.00 0.59 C ATOM 0 H ALA A 123 -4.952 4.810 5.561 1.00 0.63 H new ATOM 0 HA ALA A 123 -4.439 5.086 8.484 1.00 0.58 H new ATOM 0 HB1 ALA A 123 -2.076 4.821 7.907 1.00 0.59 H new ATOM 0 HB2 ALA A 123 -3.012 3.375 7.463 1.00 0.59 H new ATOM 0 HB3 ALA A 123 -2.512 4.532 6.207 1.00 0.59 H new ATOM 1859 N SER A 124 -3.090 7.363 7.923 1.00 0.48 N ATOM 1860 CA SER A 124 -2.778 8.776 7.766 1.00 0.43 C ATOM 1861 C SER A 124 -1.388 9.023 8.346 1.00 0.43 C ATOM 1862 O SER A 124 -0.880 8.191 9.094 1.00 0.53 O ATOM 1863 CB SER A 124 -3.831 9.619 8.497 1.00 0.45 C ATOM 1864 OG SER A 124 -5.089 9.547 7.859 1.00 2.01 O ATOM 0 H SER A 124 -2.558 6.915 8.669 1.00 0.48 H new ATOM 0 HA SER A 124 -2.789 9.059 6.713 1.00 0.43 H new ATOM 0 HB2 SER A 124 -3.924 9.273 9.526 1.00 0.45 H new ATOM 0 HB3 SER A 124 -3.502 10.657 8.538 1.00 0.45 H new ATOM 0 HG SER A 124 -5.069 8.847 7.174 1.00 2.01 H new ATOM 1870 N VAL A 125 -0.790 10.178 8.042 1.00 0.40 N ATOM 1871 CA VAL A 125 0.533 10.572 8.509 1.00 0.40 C ATOM 1872 C VAL A 125 0.765 10.235 9.985 1.00 0.39 C ATOM 1873 O VAL A 125 1.831 9.746 10.345 1.00 0.40 O ATOM 1874 CB VAL A 125 0.764 12.073 8.263 1.00 0.50 C ATOM 1875 CG1 VAL A 125 2.226 12.393 8.565 1.00 1.55 C ATOM 1876 CG2 VAL A 125 0.419 12.470 6.820 1.00 1.40 C ATOM 0 H VAL A 125 -1.229 10.881 7.447 1.00 0.40 H new ATOM 0 HA VAL A 125 1.255 9.994 7.933 1.00 0.40 H new ATOM 0 HB VAL A 125 0.107 12.645 8.919 1.00 0.50 H new ATOM 0 HG11 VAL A 125 2.409 13.454 8.396 1.00 1.55 H new ATOM 0 HG12 VAL A 125 2.445 12.148 9.604 1.00 1.55 H new ATOM 0 HG13 VAL A 125 2.870 11.805 7.911 1.00 1.55 H new ATOM 0 HG21 VAL A 125 0.595 13.537 6.684 1.00 1.40 H new ATOM 0 HG22 VAL A 125 1.046 11.908 6.128 1.00 1.40 H new ATOM 0 HG23 VAL A 125 -0.629 12.247 6.622 1.00 1.40 H new ATOM 1886 N SER A 126 -0.204 10.514 10.857 1.00 0.46 N ATOM 1887 CA SER A 126 -0.116 10.179 12.271 1.00 0.52 C ATOM 1888 C SER A 126 0.263 8.714 12.499 1.00 0.52 C ATOM 1889 O SER A 126 1.161 8.437 13.292 1.00 0.53 O ATOM 1890 CB SER A 126 -1.446 10.534 12.938 1.00 0.63 C ATOM 1891 OG SER A 126 -1.777 11.862 12.570 1.00 0.69 O ATOM 0 H SER A 126 -1.073 10.980 10.598 1.00 0.46 H new ATOM 0 HA SER A 126 0.686 10.761 12.725 1.00 0.52 H new ATOM 0 HB2 SER A 126 -2.228 9.844 12.621 1.00 0.63 H new ATOM 0 HB3 SER A 126 -1.365 10.447 14.021 1.00 0.63 H new ATOM 0 HG SER A 126 -2.629 12.114 12.984 1.00 0.69 H new ATOM 1897 N ASP A 127 -0.387 7.796 11.779 1.00 0.55 N ATOM 1898 CA ASP A 127 -0.102 6.374 11.875 1.00 0.62 C ATOM 1899 C ASP A 127 1.358 6.130 11.507 1.00 0.60 C ATOM 1900 O ASP A 127 2.102 5.515 12.260 1.00 0.70 O ATOM 1901 CB ASP A 127 -1.032 5.585 10.949 1.00 0.67 C ATOM 1902 CG ASP A 127 -0.660 4.113 10.986 1.00 1.00 C ATOM 1903 OD1 ASP A 127 -1.143 3.435 11.914 1.00 2.55 O ATOM 1904 OD2 ASP A 127 0.124 3.717 10.096 1.00 1.57 O ATOM 0 H ASP A 127 -1.126 8.025 11.114 1.00 0.55 H new ATOM 0 HA ASP A 127 -0.274 6.035 12.896 1.00 0.62 H new ATOM 0 HB2 ASP A 127 -2.068 5.716 11.260 1.00 0.67 H new ATOM 0 HB3 ASP A 127 -0.955 5.964 9.930 1.00 0.67 H new ATOM 1909 N LEU A 128 1.786 6.688 10.375 1.00 0.54 N ATOM 1910 CA LEU A 128 3.150 6.552 9.887 1.00 0.58 C ATOM 1911 C LEU A 128 4.160 7.114 10.886 1.00 0.53 C ATOM 1912 O LEU A 128 5.210 6.517 11.112 1.00 0.53 O ATOM 1913 CB LEU A 128 3.294 7.215 8.517 1.00 0.59 C ATOM 1914 CG LEU A 128 2.561 6.427 7.423 1.00 0.78 C ATOM 1915 CD1 LEU A 128 2.697 7.186 6.103 1.00 0.94 C ATOM 1916 CD2 LEU A 128 3.106 5.002 7.245 1.00 1.02 C ATOM 0 H LEU A 128 1.188 7.250 9.769 1.00 0.54 H new ATOM 0 HA LEU A 128 3.366 5.489 9.776 1.00 0.58 H new ATOM 0 HB2 LEU A 128 2.899 8.230 8.561 1.00 0.59 H new ATOM 0 HB3 LEU A 128 4.351 7.295 8.261 1.00 0.59 H new ATOM 0 HG LEU A 128 1.518 6.334 7.725 1.00 0.78 H new ATOM 0 HD11 LEU A 128 2.181 6.639 5.314 1.00 0.94 H new ATOM 0 HD12 LEU A 128 2.255 8.177 6.206 1.00 0.94 H new ATOM 0 HD13 LEU A 128 3.752 7.284 5.847 1.00 0.94 H new ATOM 0 HD21 LEU A 128 2.548 4.495 6.458 1.00 1.02 H new ATOM 0 HD22 LEU A 128 4.160 5.047 6.971 1.00 1.02 H new ATOM 0 HD23 LEU A 128 2.997 4.451 8.179 1.00 1.02 H new ATOM 1928 N LYS A 129 3.855 8.258 11.497 1.00 0.52 N ATOM 1929 CA LYS A 129 4.695 8.831 12.535 1.00 0.50 C ATOM 1930 C LYS A 129 4.770 7.883 13.744 1.00 0.61 C ATOM 1931 O LYS A 129 5.853 7.663 14.283 1.00 0.81 O ATOM 1932 CB LYS A 129 4.242 10.268 12.857 1.00 0.53 C ATOM 1933 CG LYS A 129 4.572 11.197 11.666 1.00 0.58 C ATOM 1934 CD LYS A 129 4.750 12.692 11.999 1.00 0.59 C ATOM 1935 CE LYS A 129 3.476 13.531 12.165 1.00 2.05 C ATOM 1936 NZ LYS A 129 2.489 12.890 13.052 1.00 3.10 N ATOM 0 H LYS A 129 3.022 8.807 11.284 1.00 0.52 H new ATOM 0 HA LYS A 129 5.723 8.928 12.185 1.00 0.50 H new ATOM 0 HB2 LYS A 129 3.171 10.286 13.059 1.00 0.53 H new ATOM 0 HB3 LYS A 129 4.742 10.624 13.758 1.00 0.53 H new ATOM 0 HG2 LYS A 129 5.488 10.839 11.196 1.00 0.58 H new ATOM 0 HG3 LYS A 129 3.776 11.103 10.927 1.00 0.58 H new ATOM 0 HD2 LYS A 129 5.326 12.766 12.922 1.00 0.59 H new ATOM 0 HD3 LYS A 129 5.352 13.144 11.211 1.00 0.59 H new ATOM 0 HE2 LYS A 129 3.739 14.509 12.567 1.00 2.05 H new ATOM 0 HE3 LYS A 129 3.025 13.699 11.187 1.00 2.05 H new ATOM 0 HZ1 LYS A 129 1.863 13.615 13.456 1.00 3.10 H new ATOM 0 HZ2 LYS A 129 1.923 12.209 12.507 1.00 3.10 H new ATOM 0 HZ3 LYS A 129 2.984 12.393 13.820 1.00 3.10 H new ATOM 1950 N GLU A 130 3.656 7.264 14.139 1.00 0.55 N ATOM 1951 CA GLU A 130 3.665 6.248 15.194 1.00 0.59 C ATOM 1952 C GLU A 130 4.483 5.011 14.771 1.00 0.57 C ATOM 1953 O GLU A 130 5.250 4.444 15.550 1.00 0.63 O ATOM 1954 CB GLU A 130 2.213 5.903 15.584 1.00 0.69 C ATOM 1955 CG GLU A 130 1.856 6.339 17.017 1.00 1.19 C ATOM 1956 CD GLU A 130 2.039 5.209 18.020 1.00 1.85 C ATOM 1957 OE1 GLU A 130 2.998 4.430 17.828 1.00 2.33 O ATOM 1958 OE2 GLU A 130 1.246 5.149 18.980 1.00 2.86 O ATOM 0 H GLU A 130 2.734 7.449 13.743 1.00 0.55 H new ATOM 0 HA GLU A 130 4.163 6.644 16.079 1.00 0.59 H new ATOM 0 HB2 GLU A 130 1.530 6.383 14.883 1.00 0.69 H new ATOM 0 HB3 GLU A 130 2.063 4.828 15.489 1.00 0.69 H new ATOM 0 HG2 GLU A 130 2.481 7.184 17.305 1.00 1.19 H new ATOM 0 HG3 GLU A 130 0.822 6.684 17.044 1.00 1.19 H new ATOM 1965 N ALA A 131 4.353 4.593 13.514 1.00 0.54 N ATOM 1966 CA ALA A 131 5.073 3.450 12.980 1.00 0.55 C ATOM 1967 C ALA A 131 6.579 3.718 12.994 1.00 0.50 C ATOM 1968 O ALA A 131 7.356 2.894 13.470 1.00 0.52 O ATOM 1969 CB ALA A 131 4.569 3.124 11.571 1.00 0.58 C ATOM 0 H ALA A 131 3.739 5.045 12.836 1.00 0.54 H new ATOM 0 HA ALA A 131 4.888 2.580 13.611 1.00 0.55 H new ATOM 0 HB1 ALA A 131 5.115 2.266 11.179 1.00 0.58 H new ATOM 0 HB2 ALA A 131 3.505 2.891 11.610 1.00 0.58 H new ATOM 0 HB3 ALA A 131 4.728 3.983 10.920 1.00 0.58 H new ATOM 1975 N VAL A 132 7.016 4.864 12.470 1.00 0.49 N ATOM 1976 CA VAL A 132 8.428 5.180 12.389 1.00 0.47 C ATOM 1977 C VAL A 132 8.992 5.459 13.788 1.00 0.50 C ATOM 1978 O VAL A 132 10.153 5.140 14.050 1.00 0.51 O ATOM 1979 CB VAL A 132 8.655 6.306 11.368 1.00 0.47 C ATOM 1980 CG1 VAL A 132 8.389 7.678 11.986 1.00 1.73 C ATOM 1981 CG2 VAL A 132 10.067 6.211 10.785 1.00 1.51 C ATOM 0 H VAL A 132 6.402 5.587 12.095 1.00 0.49 H new ATOM 0 HA VAL A 132 8.992 4.325 12.016 1.00 0.47 H new ATOM 0 HB VAL A 132 7.943 6.184 10.552 1.00 0.47 H new ATOM 0 HG11 VAL A 132 8.558 8.453 11.238 1.00 1.73 H new ATOM 0 HG12 VAL A 132 7.357 7.727 12.332 1.00 1.73 H new ATOM 0 HG13 VAL A 132 9.062 7.834 12.829 1.00 1.73 H new ATOM 0 HG21 VAL A 132 10.217 7.013 10.063 1.00 1.51 H new ATOM 0 HG22 VAL A 132 10.799 6.303 11.587 1.00 1.51 H new ATOM 0 HG23 VAL A 132 10.192 5.248 10.289 1.00 1.51 H new ATOM 1991 N ASP A 133 8.169 5.990 14.705 1.00 0.55 N ATOM 1992 CA ASP A 133 8.543 6.115 16.110 1.00 0.63 C ATOM 1993 C ASP A 133 9.059 4.779 16.634 1.00 0.62 C ATOM 1994 O ASP A 133 10.157 4.687 17.176 1.00 0.65 O ATOM 1995 CB ASP A 133 7.349 6.581 16.949 1.00 0.81 C ATOM 1996 CG ASP A 133 7.679 6.674 18.431 1.00 2.42 C ATOM 1997 OD1 ASP A 133 8.630 7.406 18.762 1.00 2.96 O ATOM 1998 OD2 ASP A 133 6.956 6.005 19.205 1.00 3.62 O ATOM 0 H ASP A 133 7.235 6.340 14.490 1.00 0.55 H new ATOM 0 HA ASP A 133 9.334 6.861 16.191 1.00 0.63 H new ATOM 0 HB2 ASP A 133 7.017 7.556 16.592 1.00 0.81 H new ATOM 0 HB3 ASP A 133 6.518 5.890 16.808 1.00 0.81 H new ATOM 2003 N LYS A 134 8.278 3.720 16.403 1.00 0.64 N ATOM 2004 CA LYS A 134 8.634 2.362 16.798 1.00 0.70 C ATOM 2005 C LYS A 134 9.988 1.930 16.207 1.00 0.68 C ATOM 2006 O LYS A 134 10.703 1.145 16.825 1.00 0.79 O ATOM 2007 CB LYS A 134 7.503 1.396 16.404 1.00 0.75 C ATOM 2008 CG LYS A 134 6.576 0.941 17.545 1.00 0.89 C ATOM 2009 CD LYS A 134 5.519 1.978 17.965 1.00 1.60 C ATOM 2010 CE LYS A 134 6.089 3.052 18.900 1.00 3.22 C ATOM 2011 NZ LYS A 134 5.136 4.146 19.150 1.00 4.12 N ATOM 0 H LYS A 134 7.375 3.786 15.933 1.00 0.64 H new ATOM 0 HA LYS A 134 8.752 2.335 17.881 1.00 0.70 H new ATOM 0 HB2 LYS A 134 6.894 1.875 15.637 1.00 0.75 H new ATOM 0 HB3 LYS A 134 7.949 0.511 15.951 1.00 0.75 H new ATOM 0 HG2 LYS A 134 6.067 0.027 17.239 1.00 0.89 H new ATOM 0 HG3 LYS A 134 7.186 0.691 18.413 1.00 0.89 H new ATOM 0 HD2 LYS A 134 5.110 2.456 17.075 1.00 1.60 H new ATOM 0 HD3 LYS A 134 4.693 1.469 18.462 1.00 1.60 H new ATOM 0 HE2 LYS A 134 6.367 2.593 19.849 1.00 3.22 H new ATOM 0 HE3 LYS A 134 7.001 3.461 18.465 1.00 3.22 H new ATOM 0 HZ1 LYS A 134 5.601 5.059 18.971 1.00 4.12 H new ATOM 0 HZ2 LYS A 134 4.317 4.044 18.517 1.00 4.12 H new ATOM 0 HZ3 LYS A 134 4.816 4.109 20.139 1.00 4.12 H new ATOM 2025 N LEU A 135 10.338 2.417 15.012 1.00 0.63 N ATOM 2026 CA LEU A 135 11.624 2.141 14.375 1.00 0.60 C ATOM 2027 C LEU A 135 12.732 3.035 14.943 1.00 0.63 C ATOM 2028 O LEU A 135 13.895 2.640 14.940 1.00 0.76 O ATOM 2029 CB LEU A 135 11.491 2.309 12.853 1.00 0.52 C ATOM 2030 CG LEU A 135 10.955 1.071 12.115 1.00 0.58 C ATOM 2031 CD1 LEU A 135 12.068 0.049 11.870 1.00 0.56 C ATOM 2032 CD2 LEU A 135 9.779 0.405 12.833 1.00 1.06 C ATOM 0 H LEU A 135 9.729 3.019 14.457 1.00 0.63 H new ATOM 0 HA LEU A 135 11.909 1.111 14.590 1.00 0.60 H new ATOM 0 HB2 LEU A 135 10.829 3.151 12.650 1.00 0.52 H new ATOM 0 HB3 LEU A 135 12.468 2.565 12.443 1.00 0.52 H new ATOM 0 HG LEU A 135 10.582 1.433 11.157 1.00 0.58 H new ATOM 0 HD11 LEU A 135 11.659 -0.815 11.347 1.00 0.56 H new ATOM 0 HD12 LEU A 135 12.852 0.503 11.264 1.00 0.56 H new ATOM 0 HD13 LEU A 135 12.486 -0.269 12.825 1.00 0.56 H new ATOM 0 HD21 LEU A 135 9.447 -0.462 12.261 1.00 1.06 H new ATOM 0 HD22 LEU A 135 10.093 0.086 13.827 1.00 1.06 H new ATOM 0 HD23 LEU A 135 8.958 1.116 12.923 1.00 1.06 H new ATOM 2044 N GLY A 136 12.383 4.227 15.430 1.00 0.60 N ATOM 2045 CA GLY A 136 13.296 5.121 16.127 1.00 0.68 C ATOM 2046 C GLY A 136 13.957 6.113 15.176 1.00 0.65 C ATOM 2047 O GLY A 136 15.146 6.398 15.304 1.00 0.74 O ATOM 0 H GLY A 136 11.438 4.601 15.347 1.00 0.60 H new ATOM 0 HA2 GLY A 136 12.752 5.665 16.899 1.00 0.68 H new ATOM 0 HA3 GLY A 136 14.064 4.535 16.631 1.00 0.68 H new ATOM 2051 N TYR A 137 13.177 6.673 14.247 1.00 0.61 N ATOM 2052 CA TYR A 137 13.573 7.794 13.398 1.00 0.62 C ATOM 2053 C TYR A 137 12.384 8.753 13.358 1.00 0.61 C ATOM 2054 O TYR A 137 11.402 8.514 14.061 1.00 0.67 O ATOM 2055 CB TYR A 137 13.957 7.298 11.996 1.00 0.58 C ATOM 2056 CG TYR A 137 14.811 6.043 11.993 1.00 0.59 C ATOM 2057 CD1 TYR A 137 16.146 6.091 12.434 1.00 1.93 C ATOM 2058 CD2 TYR A 137 14.214 4.799 11.724 1.00 1.65 C ATOM 2059 CE1 TYR A 137 16.864 4.899 12.633 1.00 1.98 C ATOM 2060 CE2 TYR A 137 14.964 3.617 11.829 1.00 1.64 C ATOM 2061 CZ TYR A 137 16.270 3.660 12.332 1.00 0.73 C ATOM 2062 OH TYR A 137 16.981 2.502 12.427 1.00 0.85 O ATOM 0 H TYR A 137 12.228 6.349 14.062 1.00 0.61 H new ATOM 0 HA TYR A 137 14.453 8.303 13.792 1.00 0.62 H new ATOM 0 HB2 TYR A 137 13.046 7.106 11.429 1.00 0.58 H new ATOM 0 HB3 TYR A 137 14.495 8.091 11.477 1.00 0.58 H new ATOM 0 HD1 TYR A 137 16.619 7.044 12.620 1.00 1.93 H new ATOM 0 HD2 TYR A 137 13.174 4.752 11.435 1.00 1.65 H new ATOM 0 HE1 TYR A 137 17.873 4.935 13.017 1.00 1.98 H new ATOM 0 HE2 TYR A 137 14.534 2.675 11.522 1.00 1.64 H new ATOM 0 HH TYR A 137 17.801 2.577 11.895 1.00 0.85 H new ATOM 2072 N LYS A 138 12.427 9.813 12.542 1.00 0.64 N ATOM 2073 CA LYS A 138 11.255 10.648 12.341 1.00 0.70 C ATOM 2074 C LYS A 138 11.162 11.052 10.872 1.00 0.63 C ATOM 2075 O LYS A 138 12.167 11.070 10.157 1.00 0.57 O ATOM 2076 CB LYS A 138 11.243 11.848 13.299 1.00 0.93 C ATOM 2077 CG LYS A 138 12.559 12.630 13.298 1.00 0.95 C ATOM 2078 CD LYS A 138 13.600 12.109 14.304 1.00 1.73 C ATOM 2079 CE LYS A 138 14.379 13.286 14.911 1.00 2.24 C ATOM 2080 NZ LYS A 138 15.464 12.832 15.804 1.00 3.28 N ATOM 0 H LYS A 138 13.253 10.104 12.020 1.00 0.64 H new ATOM 0 HA LYS A 138 10.360 10.076 12.584 1.00 0.70 H new ATOM 0 HB2 LYS A 138 10.429 12.518 13.022 1.00 0.93 H new ATOM 0 HB3 LYS A 138 11.037 11.496 14.310 1.00 0.93 H new ATOM 0 HG2 LYS A 138 12.988 12.596 12.297 1.00 0.95 H new ATOM 0 HG3 LYS A 138 12.348 13.676 13.519 1.00 0.95 H new ATOM 0 HD2 LYS A 138 13.104 11.545 15.094 1.00 1.73 H new ATOM 0 HD3 LYS A 138 14.288 11.425 13.807 1.00 1.73 H new ATOM 0 HE2 LYS A 138 14.800 13.893 14.110 1.00 2.24 H new ATOM 0 HE3 LYS A 138 13.694 13.924 15.469 1.00 2.24 H new ATOM 0 HZ1 LYS A 138 15.963 13.658 16.191 1.00 3.28 H new ATOM 0 HZ2 LYS A 138 15.061 12.274 16.584 1.00 3.28 H new ATOM 0 HZ3 LYS A 138 16.133 12.244 15.267 1.00 3.28 H new ATOM 2094 N LEU A 139 9.927 11.328 10.447 1.00 0.74 N ATOM 2095 CA LEU A 139 9.568 11.674 9.086 1.00 0.74 C ATOM 2096 C LEU A 139 9.068 13.113 9.072 1.00 0.76 C ATOM 2097 O LEU A 139 8.272 13.504 9.928 1.00 0.92 O ATOM 2098 CB LEU A 139 8.471 10.740 8.572 1.00 0.90 C ATOM 2099 CG LEU A 139 8.915 9.274 8.525 1.00 0.53 C ATOM 2100 CD1 LEU A 139 7.684 8.416 8.250 1.00 1.39 C ATOM 2101 CD2 LEU A 139 9.957 8.992 7.446 1.00 1.22 C ATOM 0 H LEU A 139 9.123 11.314 11.074 1.00 0.74 H new ATOM 0 HA LEU A 139 10.438 11.570 8.438 1.00 0.74 H new ATOM 0 HB2 LEU A 139 7.594 10.829 9.213 1.00 0.90 H new ATOM 0 HB3 LEU A 139 8.169 11.056 7.573 1.00 0.90 H new ATOM 0 HG LEU A 139 9.378 9.040 9.483 1.00 0.53 H new ATOM 0 HD11 LEU A 139 7.974 7.366 8.212 1.00 1.39 H new ATOM 0 HD12 LEU A 139 6.954 8.562 9.046 1.00 1.39 H new ATOM 0 HD13 LEU A 139 7.244 8.706 7.296 1.00 1.39 H new ATOM 0 HD21 LEU A 139 10.227 7.936 7.468 1.00 1.22 H new ATOM 0 HD22 LEU A 139 9.545 9.241 6.468 1.00 1.22 H new ATOM 0 HD23 LEU A 139 10.845 9.597 7.630 1.00 1.22 H new ATOM 2113 N LYS A 140 9.519 13.875 8.083 1.00 0.73 N ATOM 2114 CA LYS A 140 9.071 15.218 7.762 1.00 0.75 C ATOM 2115 C LYS A 140 8.272 15.143 6.461 1.00 0.65 C ATOM 2116 O LYS A 140 8.375 14.167 5.726 1.00 0.67 O ATOM 2117 CB LYS A 140 10.304 16.129 7.637 1.00 0.82 C ATOM 2118 CG LYS A 140 10.656 16.743 8.996 1.00 1.11 C ATOM 2119 CD LYS A 140 9.771 17.970 9.284 1.00 1.75 C ATOM 2120 CE LYS A 140 10.578 19.267 9.117 1.00 2.37 C ATOM 2121 NZ LYS A 140 9.719 20.472 9.104 1.00 3.17 N ATOM 0 H LYS A 140 10.249 13.550 7.449 1.00 0.73 H new ATOM 0 HA LYS A 140 8.430 15.635 8.538 1.00 0.75 H new ATOM 0 HB2 LYS A 140 11.151 15.556 7.260 1.00 0.82 H new ATOM 0 HB3 LYS A 140 10.107 16.920 6.914 1.00 0.82 H new ATOM 0 HG2 LYS A 140 10.523 16.000 9.782 1.00 1.11 H new ATOM 0 HG3 LYS A 140 11.706 17.035 9.008 1.00 1.11 H new ATOM 0 HD2 LYS A 140 8.917 17.977 8.607 1.00 1.75 H new ATOM 0 HD3 LYS A 140 9.374 17.910 10.297 1.00 1.75 H new ATOM 0 HE2 LYS A 140 11.300 19.349 9.929 1.00 2.37 H new ATOM 0 HE3 LYS A 140 11.147 19.220 8.188 1.00 2.37 H new ATOM 0 HZ1 LYS A 140 10.311 21.319 8.989 1.00 3.17 H new ATOM 0 HZ2 LYS A 140 9.046 20.410 8.313 1.00 3.17 H new ATOM 0 HZ3 LYS A 140 9.195 20.535 10.000 1.00 3.17 H new ATOM 2135 N LEU A 141 7.448 16.154 6.191 1.00 0.60 N ATOM 2136 CA LEU A 141 6.620 16.227 4.999 1.00 0.57 C ATOM 2137 C LEU A 141 7.318 17.127 3.985 1.00 0.65 C ATOM 2138 O LEU A 141 7.744 18.224 4.352 1.00 0.89 O ATOM 2139 CB LEU A 141 5.248 16.804 5.382 1.00 0.64 C ATOM 2140 CG LEU A 141 4.528 15.913 6.409 1.00 0.80 C ATOM 2141 CD1 LEU A 141 4.890 16.227 7.870 1.00 1.02 C ATOM 2142 CD2 LEU A 141 3.009 15.994 6.238 1.00 1.64 C ATOM 0 H LEU A 141 7.339 16.958 6.809 1.00 0.60 H new ATOM 0 HA LEU A 141 6.475 15.239 4.562 1.00 0.57 H new ATOM 0 HB2 LEU A 141 5.375 17.805 5.793 1.00 0.64 H new ATOM 0 HB3 LEU A 141 4.631 16.903 4.489 1.00 0.64 H new ATOM 0 HG LEU A 141 4.877 14.901 6.202 1.00 0.80 H new ATOM 0 HD11 LEU A 141 4.342 15.557 8.533 1.00 1.02 H new ATOM 0 HD12 LEU A 141 5.961 16.088 8.018 1.00 1.02 H new ATOM 0 HD13 LEU A 141 4.624 17.259 8.097 1.00 1.02 H new ATOM 0 HD21 LEU A 141 2.525 15.355 6.976 1.00 1.64 H new ATOM 0 HD22 LEU A 141 2.681 17.024 6.379 1.00 1.64 H new ATOM 0 HD23 LEU A 141 2.737 15.661 5.236 1.00 1.64 H new ATOM 2154 N LYS A 142 7.418 16.722 2.715 1.00 0.56 N ATOM 2155 CA LYS A 142 8.067 17.573 1.726 1.00 0.69 C ATOM 2156 C LYS A 142 7.083 18.643 1.262 1.00 0.98 C ATOM 2157 O LYS A 142 6.530 18.578 0.167 1.00 1.19 O ATOM 2158 CB LYS A 142 8.549 16.762 0.530 1.00 0.67 C ATOM 2159 CG LYS A 142 9.809 15.941 0.833 1.00 0.84 C ATOM 2160 CD LYS A 142 10.398 15.508 -0.509 1.00 1.32 C ATOM 2161 CE LYS A 142 11.124 16.624 -1.274 1.00 2.08 C ATOM 2162 NZ LYS A 142 10.846 16.510 -2.723 1.00 3.21 N ATOM 0 H LYS A 142 7.067 15.833 2.359 1.00 0.56 H new ATOM 0 HA LYS A 142 8.937 18.040 2.188 1.00 0.69 H new ATOM 0 HB2 LYS A 142 7.753 16.091 0.208 1.00 0.67 H new ATOM 0 HB3 LYS A 142 8.753 17.437 -0.302 1.00 0.67 H new ATOM 0 HG2 LYS A 142 10.529 16.535 1.396 1.00 0.84 H new ATOM 0 HG3 LYS A 142 9.565 15.072 1.444 1.00 0.84 H new ATOM 0 HD2 LYS A 142 11.096 14.688 -0.338 1.00 1.32 H new ATOM 0 HD3 LYS A 142 9.596 15.118 -1.135 1.00 1.32 H new ATOM 0 HE2 LYS A 142 10.798 17.598 -0.909 1.00 2.08 H new ATOM 0 HE3 LYS A 142 12.197 16.559 -1.095 1.00 2.08 H new ATOM 0 HZ1 LYS A 142 11.739 16.373 -3.238 1.00 3.21 H new ATOM 0 HZ2 LYS A 142 10.220 15.697 -2.893 1.00 3.21 H new ATOM 0 HZ3 LYS A 142 10.383 17.379 -3.057 1.00 3.21 H new