USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1027 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 46 ASN :FLIP amide:sc= -3.27! C(o=-6!,f=-3.7!) USER MOD Set 1.2: B 48 GLN : amide:sc= -0.443 K(o=-3.7,f=-6!) USER MOD Set 2.1: A 30 SER OG : rot -152:sc= -1.97! USER MOD Set 2.2: B 66 MET CE :methyl -151:sc= -4.69! (180deg=-4.26!) USER MOD Set 3.1: A 16 GLN : amide:sc= -2.51 K(o=-1.7,f=-15!) USER MOD Set 3.2: A 56 SER OG : rot 154:sc= 0.782 USER MOD Set 4.1: A 14 THR OG1 : rot -171:sc= 0 USER MOD Set 4.2: A 53 ASN :FLIP amide:sc= -3.4! C(o=-5.8!,f=-3.4!) USER MOD Single : A 10 GLN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.0257 K(o=-0.026,f=-1.5!) USER MOD Single : A 19 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.34) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.4! C(o=-2.4!,f=-4.6!) USER MOD Single : A 24 GLN : amide:sc= -0.79 X(o=-0.79,f=-0.62) USER MOD Single : A 25 SER OG : rot -66:sc= -0.907 USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= -0.0234 (180deg=-0.0435) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -4.36! C(o=-4.4!,f=-5.9!) USER MOD Single : A 37 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.9!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.78! C(o=-2.8!,f=-2.8!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -157:sc= -0.27 (180deg=-1.24) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -141:sc= -9.21! (180deg=-11.8!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.68) USER MOD Single : B 10 GLN : amide:sc= -0.0356 X(o=-0.036,f=0) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -3.97! C(o=-4!,f=-3.8!) USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -1.77 K(o=-1.8,f=-3!) USER MOD Single : B 24 GLN : amide:sc= 0.712 K(o=0.71,f=-0.048) USER MOD Single : B 25 SER OG : rot 180:sc= -1.2 USER MOD Single : B 27 LYS NZ :NH3+ 159:sc= -1.62 (180deg=-2.17!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 102:sc= -0.1 USER MOD Single : B 34 HIS : no HD1:sc= -3.97! C(o=-4!,f=-6!) USER MOD Single : B 37 GLN : amide:sc= -0.396 K(o=-0.4,f=-2.8!) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 43 THR OG1 : rot 180:sc= -1.13 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN :FLIP amide:sc= -1.92 F(o=-2.8!,f=-1.9) USER MOD Single : B 56 SER OG : rot 180:sc= 0.13 USER MOD Single : B 58 MET CE :methyl 158:sc= -0.434 (180deg=-1.95!) USER MOD Single : B 60 LYS NZ :NH3+ -148:sc= -0.0466 (180deg=-0.828) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 ASN : amide:sc=-0.00146 X(o=-0.0015,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 8 -3.446 -15.795 -10.736 1.00 0.00 N ATOM 50 CA ARG A 8 -2.918 -16.219 -9.450 1.00 0.00 C ATOM 51 C ARG A 8 -2.338 -15.023 -8.694 1.00 0.00 C ATOM 52 O ARG A 8 -2.874 -13.918 -8.767 1.00 0.00 O ATOM 53 CB ARG A 8 -1.829 -17.280 -9.624 1.00 0.00 C ATOM 54 CG ARG A 8 -2.219 -18.294 -10.702 1.00 0.00 C ATOM 55 CD ARG A 8 -1.319 -18.159 -11.932 1.00 0.00 C ATOM 56 NE ARG A 8 -0.837 -19.493 -12.355 1.00 0.00 N ATOM 57 CZ ARG A 8 -0.055 -20.282 -11.605 1.00 0.00 C ATOM 58 NH1 ARG A 8 0.337 -19.876 -10.390 1.00 0.00 N ATOM 59 NH2 ARG A 8 0.334 -21.477 -12.071 1.00 0.00 N ATOM 0 HA ARG A 8 -3.741 -16.649 -8.880 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.888 -16.800 -9.894 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.664 -17.795 -8.678 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.143 -19.305 -10.300 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.259 -18.143 -10.990 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.870 -17.687 -12.746 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.472 -17.513 -11.704 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.117 -19.833 -13.275 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.040 -18.967 -10.036 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.932 -20.476 -9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.035 -21.786 -12.996 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.929 -22.078 -11.501 1.00 0.00 H new ATOM 73 N CYS A 9 -1.249 -15.283 -7.984 1.00 0.00 N ATOM 74 CA CYS A 9 -0.591 -14.241 -7.215 1.00 0.00 C ATOM 75 C CYS A 9 0.342 -13.470 -8.151 1.00 0.00 C ATOM 76 O CYS A 9 0.715 -13.969 -9.212 1.00 0.00 O ATOM 77 CB CYS A 9 0.157 -14.814 -6.009 1.00 0.00 C ATOM 78 SG CYS A 9 -0.913 -15.333 -4.618 1.00 0.00 S ATOM 0 H CYS A 9 -0.807 -16.200 -7.926 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.338 -13.561 -6.806 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.744 -15.672 -6.337 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.862 -14.065 -5.647 1.00 0.00 H new ATOM 83 N GLN A 10 0.693 -12.265 -7.725 1.00 0.00 N ATOM 84 CA GLN A 10 1.575 -11.420 -8.512 1.00 0.00 C ATOM 85 C GLN A 10 3.032 -11.647 -8.102 1.00 0.00 C ATOM 86 O GLN A 10 3.945 -11.098 -8.715 1.00 0.00 O ATOM 87 CB GLN A 10 1.189 -9.946 -8.374 1.00 0.00 C ATOM 88 CG GLN A 10 2.066 -9.065 -9.266 1.00 0.00 C ATOM 89 CD GLN A 10 1.406 -7.706 -9.512 1.00 0.00 C ATOM 90 OE1 GLN A 10 1.341 -7.211 -10.625 1.00 0.00 O ATOM 91 NE2 GLN A 10 0.921 -7.134 -8.414 1.00 0.00 N ATOM 0 H GLN A 10 0.382 -11.854 -6.845 1.00 0.00 H new ATOM 0 HA GLN A 10 1.467 -11.693 -9.562 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.141 -9.814 -8.643 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.293 -9.635 -7.335 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.039 -8.921 -8.797 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.242 -9.566 -10.218 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.009 -7.604 -7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.461 -6.226 -8.473 1.00 0.00 H new ATOM 100 N CYS A 11 3.203 -12.456 -7.066 1.00 0.00 N ATOM 101 CA CYS A 11 4.533 -12.762 -6.567 1.00 0.00 C ATOM 102 C CYS A 11 4.544 -14.215 -6.089 1.00 0.00 C ATOM 103 O CYS A 11 3.650 -14.638 -5.357 1.00 0.00 O ATOM 104 CB CYS A 11 4.958 -11.793 -5.462 1.00 0.00 C ATOM 105 SG CYS A 11 6.524 -10.902 -5.784 1.00 0.00 S ATOM 0 H CYS A 11 2.443 -12.909 -6.559 1.00 0.00 H new ATOM 0 HA CYS A 11 5.263 -12.639 -7.367 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.164 -11.061 -5.314 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.057 -12.348 -4.529 1.00 0.00 H new ATOM 110 N LEU A 12 5.566 -14.939 -6.520 1.00 0.00 N ATOM 111 CA LEU A 12 5.705 -16.336 -6.145 1.00 0.00 C ATOM 112 C LEU A 12 6.565 -16.437 -4.884 1.00 0.00 C ATOM 113 O LEU A 12 6.539 -17.453 -4.190 1.00 0.00 O ATOM 114 CB LEU A 12 6.239 -17.156 -7.321 1.00 0.00 C ATOM 115 CG LEU A 12 5.605 -16.868 -8.683 1.00 0.00 C ATOM 116 CD1 LEU A 12 6.570 -17.208 -9.820 1.00 0.00 C ATOM 117 CD2 LEU A 12 4.267 -17.595 -8.830 1.00 0.00 C ATOM 0 H LEU A 12 6.306 -14.584 -7.126 1.00 0.00 H new ATOM 0 HA LEU A 12 4.732 -16.765 -5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.313 -16.985 -7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.100 -18.213 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 12 5.399 -15.799 -8.744 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.094 -16.994 -10.777 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.474 -16.607 -9.722 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.830 -18.265 -9.773 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.838 -17.373 -9.807 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.425 -18.670 -8.739 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.584 -17.261 -8.049 1.00 0.00 H new ATOM 129 N GLN A 13 7.306 -15.370 -4.624 1.00 0.00 N ATOM 130 CA GLN A 13 8.172 -15.326 -3.458 1.00 0.00 C ATOM 131 C GLN A 13 8.032 -13.981 -2.743 1.00 0.00 C ATOM 132 O GLN A 13 7.439 -13.047 -3.281 1.00 0.00 O ATOM 133 CB GLN A 13 9.629 -15.590 -3.847 1.00 0.00 C ATOM 134 CG GLN A 13 10.354 -16.377 -2.753 1.00 0.00 C ATOM 135 CD GLN A 13 11.686 -16.927 -3.264 1.00 0.00 C ATOM 136 OE1 GLN A 13 11.958 -16.961 -4.453 1.00 0.00 O ATOM 137 NE2 GLN A 13 12.500 -17.355 -2.303 1.00 0.00 N ATOM 0 H GLN A 13 7.325 -14.529 -5.201 1.00 0.00 H new ATOM 0 HA GLN A 13 7.864 -16.115 -2.771 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.664 -16.146 -4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 13 10.141 -14.643 -4.019 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.529 -15.732 -1.892 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.724 -17.199 -2.413 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.211 -17.298 -1.327 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.414 -17.740 -2.543 1.00 0.00 H new ATOM 146 N THR A 14 8.586 -13.925 -1.541 1.00 0.00 N ATOM 147 CA THR A 14 8.530 -12.710 -0.746 1.00 0.00 C ATOM 148 C THR A 14 9.741 -12.624 0.184 1.00 0.00 C ATOM 149 O THR A 14 10.445 -13.613 0.386 1.00 0.00 O ATOM 150 CB THR A 14 7.192 -12.692 -0.004 1.00 0.00 C ATOM 151 OG1 THR A 14 6.970 -14.055 0.345 1.00 0.00 O ATOM 152 CG2 THR A 14 6.018 -12.346 -0.923 1.00 0.00 C ATOM 0 H THR A 14 9.076 -14.702 -1.098 1.00 0.00 H new ATOM 0 HA THR A 14 8.581 -11.822 -1.377 1.00 0.00 H new ATOM 0 HB THR A 14 7.239 -11.971 0.812 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.063 -14.158 0.702 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.093 -12.347 -0.347 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.174 -11.358 -1.357 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.950 -13.086 -1.720 1.00 0.00 H new ATOM 160 N LEU A 15 9.948 -11.433 0.725 1.00 0.00 N ATOM 161 CA LEU A 15 11.063 -11.205 1.629 1.00 0.00 C ATOM 162 C LEU A 15 10.562 -11.259 3.074 1.00 0.00 C ATOM 163 O LEU A 15 9.381 -11.503 3.316 1.00 0.00 O ATOM 164 CB LEU A 15 11.782 -9.901 1.276 1.00 0.00 C ATOM 165 CG LEU A 15 12.501 -9.877 -0.074 1.00 0.00 C ATOM 166 CD1 LEU A 15 12.641 -8.445 -0.595 1.00 0.00 C ATOM 167 CD2 LEU A 15 13.852 -10.590 0.011 1.00 0.00 C ATOM 0 H LEU A 15 9.363 -10.615 0.555 1.00 0.00 H new ATOM 0 HA LEU A 15 11.809 -11.993 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.053 -9.091 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.511 -9.688 2.058 1.00 0.00 H new ATOM 0 HG LEU A 15 11.893 -10.424 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.156 -8.456 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.652 -8.004 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.216 -7.853 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.342 -10.558 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.480 -10.092 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.698 -11.628 0.306 1.00 0.00 H new ATOM 179 N GLN A 16 11.484 -11.027 3.996 1.00 0.00 N ATOM 180 CA GLN A 16 11.151 -11.046 5.410 1.00 0.00 C ATOM 181 C GLN A 16 11.053 -9.618 5.952 1.00 0.00 C ATOM 182 O GLN A 16 10.534 -9.400 7.045 1.00 0.00 O ATOM 183 CB GLN A 16 12.171 -11.865 6.203 1.00 0.00 C ATOM 184 CG GLN A 16 12.110 -11.523 7.693 1.00 0.00 C ATOM 185 CD GLN A 16 10.741 -11.874 8.280 1.00 0.00 C ATOM 186 OE1 GLN A 16 9.745 -11.976 7.583 1.00 0.00 O ATOM 187 NE2 GLN A 16 10.748 -12.054 9.598 1.00 0.00 N ATOM 0 H GLN A 16 12.463 -10.825 3.791 1.00 0.00 H new ATOM 0 HA GLN A 16 10.179 -11.526 5.528 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.977 -12.928 6.062 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.174 -11.671 5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.889 -12.067 8.227 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.309 -10.461 7.835 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.617 -11.953 10.122 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.884 -12.293 10.085 1.00 0.00 H new ATOM 196 N GLY A 17 11.561 -8.684 5.162 1.00 0.00 N ATOM 197 CA GLY A 17 11.538 -7.284 5.548 1.00 0.00 C ATOM 198 C GLY A 17 12.894 -6.622 5.296 1.00 0.00 C ATOM 199 O GLY A 17 13.823 -6.782 6.086 1.00 0.00 O ATOM 0 H GLY A 17 11.991 -8.870 4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.764 -6.761 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.278 -7.198 6.603 1.00 0.00 H new ATOM 203 N ILE A 18 12.965 -5.893 4.192 1.00 0.00 N ATOM 204 CA ILE A 18 14.193 -5.207 3.825 1.00 0.00 C ATOM 205 C ILE A 18 14.248 -3.855 4.539 1.00 0.00 C ATOM 206 O ILE A 18 13.219 -3.325 4.954 1.00 0.00 O ATOM 207 CB ILE A 18 14.316 -5.106 2.304 1.00 0.00 C ATOM 208 CG1 ILE A 18 14.790 -6.430 1.702 1.00 0.00 C ATOM 209 CG2 ILE A 18 15.220 -3.938 1.904 1.00 0.00 C ATOM 210 CD1 ILE A 18 14.818 -6.360 0.174 1.00 0.00 C ATOM 0 H ILE A 18 12.192 -5.762 3.539 1.00 0.00 H new ATOM 0 HA ILE A 18 15.062 -5.777 4.154 1.00 0.00 H new ATOM 0 HB ILE A 18 13.327 -4.903 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.785 -6.668 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 18 14.128 -7.236 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 18 15.291 -3.888 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 18 14.800 -3.006 2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 18 16.214 -4.086 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 18 15.159 -7.314 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.816 -6.146 -0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 18 15.499 -5.570 -0.142 1.00 0.00 H new ATOM 222 N HIS A 19 15.461 -3.335 4.659 1.00 0.00 N ATOM 223 CA HIS A 19 15.664 -2.054 5.315 1.00 0.00 C ATOM 224 C HIS A 19 14.796 -0.989 4.641 1.00 0.00 C ATOM 225 O HIS A 19 14.642 -0.990 3.421 1.00 0.00 O ATOM 226 CB HIS A 19 17.148 -1.684 5.335 1.00 0.00 C ATOM 227 CG HIS A 19 17.594 -1.003 6.607 1.00 0.00 C ATOM 228 ND1 HIS A 19 18.746 -0.240 6.685 1.00 0.00 N ATOM 229 CD2 HIS A 19 17.031 -0.978 7.849 1.00 0.00 C ATOM 230 CE1 HIS A 19 18.862 0.218 7.923 1.00 0.00 C ATOM 231 NE2 HIS A 19 17.798 -0.241 8.643 1.00 0.00 N ATOM 0 H HIS A 19 16.313 -3.777 4.313 1.00 0.00 H new ATOM 0 HA HIS A 19 15.352 -2.121 6.357 1.00 0.00 H new ATOM 0 HB2 HIS A 19 17.739 -2.588 5.193 1.00 0.00 H new ATOM 0 HB3 HIS A 19 17.360 -1.028 4.490 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.116 -1.474 8.138 1.00 0.00 H new ATOM 0 HE1 HIS A 19 19.659 0.844 8.296 1.00 0.00 H new ATOM 0 HE2 HIS A 19 17.621 -0.049 9.629 1.00 0.00 H new ATOM 239 N LEU A 20 14.252 -0.107 5.466 1.00 0.00 N ATOM 240 CA LEU A 20 13.404 0.962 4.966 1.00 0.00 C ATOM 241 C LEU A 20 14.280 2.069 4.377 1.00 0.00 C ATOM 242 O LEU A 20 13.770 3.085 3.906 1.00 0.00 O ATOM 243 CB LEU A 20 12.452 1.447 6.061 1.00 0.00 C ATOM 244 CG LEU A 20 11.796 2.809 5.824 1.00 0.00 C ATOM 245 CD1 LEU A 20 10.966 2.802 4.539 1.00 0.00 C ATOM 246 CD2 LEU A 20 10.970 3.238 7.038 1.00 0.00 C ATOM 0 H LEU A 20 14.382 -0.111 6.478 1.00 0.00 H new ATOM 0 HA LEU A 20 12.766 0.598 4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.665 0.704 6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.002 1.490 7.001 1.00 0.00 H new ATOM 0 HG LEU A 20 12.585 3.550 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.511 3.782 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.611 2.573 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.184 2.046 4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.515 4.209 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.188 2.502 7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.618 3.310 7.912 1.00 0.00 H new ATOM 258 N LYS A 21 15.584 1.837 4.424 1.00 0.00 N ATOM 259 CA LYS A 21 16.535 2.802 3.901 1.00 0.00 C ATOM 260 C LYS A 21 16.617 2.658 2.380 1.00 0.00 C ATOM 261 O LYS A 21 17.302 3.435 1.715 1.00 0.00 O ATOM 262 CB LYS A 21 17.886 2.659 4.606 1.00 0.00 C ATOM 263 CG LYS A 21 17.853 3.311 5.990 1.00 0.00 C ATOM 264 CD LYS A 21 18.346 4.758 5.927 1.00 0.00 C ATOM 265 CE LYS A 21 18.857 5.223 7.292 1.00 0.00 C ATOM 266 NZ LYS A 21 20.309 4.963 7.417 1.00 0.00 N ATOM 0 H LYS A 21 16.004 0.994 4.816 1.00 0.00 H new ATOM 0 HA LYS A 21 16.199 3.818 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.140 1.603 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.667 3.120 4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 21 16.837 3.286 6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.476 2.741 6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 21 19.143 4.843 5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.536 5.408 5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.660 6.288 7.417 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.319 4.704 8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 20.640 5.284 8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 20.489 3.943 7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 20.819 5.478 6.672 1.00 0.00 H new ATOM 280 N ASN A 22 15.910 1.659 1.873 1.00 0.00 N ATOM 281 CA ASN A 22 15.895 1.404 0.442 1.00 0.00 C ATOM 282 C ASN A 22 14.479 1.621 -0.095 1.00 0.00 C ATOM 283 O ASN A 22 14.269 2.436 -0.992 1.00 0.00 O ATOM 284 CB ASN A 22 16.300 -0.039 0.136 1.00 0.00 C ATOM 285 CG ASN A 22 17.770 -0.119 -0.283 1.00 0.00 C ATOM 286 OD1 ASN A 22 18.178 0.400 -1.309 1.00 0.00 O ATOM 287 ND2 ASN A 22 18.538 -0.795 0.566 1.00 0.00 N ATOM 0 H ASN A 22 15.344 1.017 2.427 1.00 0.00 H new ATOM 0 HA ASN A 22 16.603 2.085 -0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 22 16.134 -0.661 1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 22 15.669 -0.437 -0.659 1.00 0.00 H new ATOM 0 HD21 ASN A 22 19.534 -0.904 0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 22 18.131 -1.204 1.407 1.00 0.00 H new ATOM 294 N ILE A 23 13.543 0.877 0.477 1.00 0.00 N ATOM 295 CA ILE A 23 12.153 0.978 0.067 1.00 0.00 C ATOM 296 C ILE A 23 11.791 2.451 -0.136 1.00 0.00 C ATOM 297 O ILE A 23 12.051 3.283 0.732 1.00 0.00 O ATOM 298 CB ILE A 23 11.246 0.253 1.063 1.00 0.00 C ATOM 299 CG1 ILE A 23 11.066 -1.215 0.673 1.00 0.00 C ATOM 300 CG2 ILE A 23 9.905 0.976 1.211 1.00 0.00 C ATOM 301 CD1 ILE A 23 11.469 -2.141 1.823 1.00 0.00 C ATOM 0 H ILE A 23 13.720 0.202 1.221 1.00 0.00 H new ATOM 0 HA ILE A 23 12.001 0.477 -0.889 1.00 0.00 H new ATOM 0 HB ILE A 23 11.730 0.269 2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.026 -1.398 0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.670 -1.438 -0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.279 0.440 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.076 1.991 1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.403 1.013 0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.332 -3.179 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.516 -1.973 2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.847 -1.932 2.693 1.00 0.00 H new ATOM 313 N GLN A 24 11.196 2.728 -1.287 1.00 0.00 N ATOM 314 CA GLN A 24 10.795 4.086 -1.614 1.00 0.00 C ATOM 315 C GLN A 24 9.270 4.190 -1.675 1.00 0.00 C ATOM 316 O GLN A 24 8.710 5.269 -1.491 1.00 0.00 O ATOM 317 CB GLN A 24 11.429 4.543 -2.929 1.00 0.00 C ATOM 318 CG GLN A 24 11.998 5.958 -2.802 1.00 0.00 C ATOM 319 CD GLN A 24 10.885 7.005 -2.889 1.00 0.00 C ATOM 320 OE1 GLN A 24 10.669 7.795 -1.985 1.00 0.00 O ATOM 321 NE2 GLN A 24 10.194 6.967 -4.025 1.00 0.00 N ATOM 0 H GLN A 24 10.982 2.035 -2.005 1.00 0.00 H new ATOM 0 HA GLN A 24 11.153 4.749 -0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.223 3.852 -3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.684 4.517 -3.724 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.524 6.059 -1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.729 6.132 -3.591 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.427 6.279 -4.741 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.431 7.626 -4.180 1.00 0.00 H new ATOM 330 N SER A 25 8.642 3.053 -1.935 1.00 0.00 N ATOM 331 CA SER A 25 7.192 3.002 -2.022 1.00 0.00 C ATOM 332 C SER A 25 6.680 1.673 -1.463 1.00 0.00 C ATOM 333 O SER A 25 7.444 0.719 -1.322 1.00 0.00 O ATOM 334 CB SER A 25 6.721 3.187 -3.466 1.00 0.00 C ATOM 335 OG SER A 25 7.770 3.646 -4.315 1.00 0.00 O ATOM 0 H SER A 25 9.110 2.160 -2.088 1.00 0.00 H new ATOM 0 HA SER A 25 6.785 3.820 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.335 2.241 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.897 3.900 -3.490 1.00 0.00 H new ATOM 0 HG SER A 25 8.035 4.551 -4.048 1.00 0.00 H new ATOM 341 N VAL A 26 5.391 1.653 -1.159 1.00 0.00 N ATOM 342 CA VAL A 26 4.768 0.457 -0.619 1.00 0.00 C ATOM 343 C VAL A 26 3.503 0.140 -1.418 1.00 0.00 C ATOM 344 O VAL A 26 2.741 1.041 -1.766 1.00 0.00 O ATOM 345 CB VAL A 26 4.500 0.637 0.877 1.00 0.00 C ATOM 346 CG1 VAL A 26 3.517 -0.418 1.389 1.00 0.00 C ATOM 347 CG2 VAL A 26 5.805 0.603 1.675 1.00 0.00 C ATOM 0 H VAL A 26 4.761 2.446 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 26 5.436 -0.398 -0.716 1.00 0.00 H new ATOM 0 HB VAL A 26 4.044 1.617 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.344 -0.267 2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.573 -0.327 0.852 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.933 -1.412 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.587 0.733 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.300 -0.356 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.459 1.407 1.338 1.00 0.00 H new ATOM 357 N LYS A 27 3.317 -1.144 -1.687 1.00 0.00 N ATOM 358 CA LYS A 27 2.157 -1.591 -2.440 1.00 0.00 C ATOM 359 C LYS A 27 1.539 -2.804 -1.741 1.00 0.00 C ATOM 360 O LYS A 27 2.216 -3.805 -1.511 1.00 0.00 O ATOM 361 CB LYS A 27 2.533 -1.848 -3.900 1.00 0.00 C ATOM 362 CG LYS A 27 1.310 -1.718 -4.812 1.00 0.00 C ATOM 363 CD LYS A 27 0.251 -2.765 -4.460 1.00 0.00 C ATOM 364 CE LYS A 27 -0.390 -3.341 -5.724 1.00 0.00 C ATOM 365 NZ LYS A 27 0.393 -4.493 -6.224 1.00 0.00 N ATOM 0 H LYS A 27 3.950 -1.889 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 27 1.394 -0.813 -2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.301 -1.140 -4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.961 -2.846 -3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.885 -0.719 -4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.613 -1.837 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.707 -3.568 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.517 -2.314 -3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.412 -3.654 -5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.447 -2.571 -6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.092 -4.914 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.339 -4.171 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.483 -5.205 -5.471 1.00 0.00 H new ATOM 379 N VAL A 28 0.259 -2.675 -1.424 1.00 0.00 N ATOM 380 CA VAL A 28 -0.459 -3.748 -0.757 1.00 0.00 C ATOM 381 C VAL A 28 -1.630 -4.195 -1.634 1.00 0.00 C ATOM 382 O VAL A 28 -2.528 -3.407 -1.926 1.00 0.00 O ATOM 383 CB VAL A 28 -0.896 -3.297 0.639 1.00 0.00 C ATOM 384 CG1 VAL A 28 -1.504 -4.459 1.425 1.00 0.00 C ATOM 385 CG2 VAL A 28 0.272 -2.669 1.402 1.00 0.00 C ATOM 0 H VAL A 28 -0.300 -1.844 -1.617 1.00 0.00 H new ATOM 0 HA VAL A 28 0.191 -4.612 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.666 -2.535 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.806 -4.111 2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.375 -4.842 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.765 -5.253 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.065 -2.357 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.074 -3.400 1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.640 -1.802 0.854 1.00 0.00 H new ATOM 395 N LYS A 29 -1.582 -5.458 -2.031 1.00 0.00 N ATOM 396 CA LYS A 29 -2.627 -6.020 -2.869 1.00 0.00 C ATOM 397 C LYS A 29 -3.192 -7.275 -2.201 1.00 0.00 C ATOM 398 O LYS A 29 -2.607 -8.352 -2.301 1.00 0.00 O ATOM 399 CB LYS A 29 -2.106 -6.259 -4.287 1.00 0.00 C ATOM 400 CG LYS A 29 -3.262 -6.439 -5.273 1.00 0.00 C ATOM 401 CD LYS A 29 -3.639 -7.915 -5.413 1.00 0.00 C ATOM 402 CE LYS A 29 -3.567 -8.364 -6.874 1.00 0.00 C ATOM 403 NZ LYS A 29 -3.536 -9.841 -6.961 1.00 0.00 N ATOM 0 H LYS A 29 -0.835 -6.108 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.452 -5.315 -2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.486 -5.418 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.471 -7.145 -4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.127 -5.870 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.980 -6.038 -6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.967 -8.524 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.647 -8.074 -5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.427 -7.979 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.677 -7.947 -7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.487 -10.129 -7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.701 -10.201 -6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.398 -10.232 -6.530 1.00 0.00 H new ATOM 417 N SER A 30 -4.322 -7.094 -1.533 1.00 0.00 N ATOM 418 CA SER A 30 -4.972 -8.199 -0.849 1.00 0.00 C ATOM 419 C SER A 30 -5.282 -9.320 -1.842 1.00 0.00 C ATOM 420 O SER A 30 -5.127 -9.145 -3.050 1.00 0.00 O ATOM 421 CB SER A 30 -6.253 -7.738 -0.151 1.00 0.00 C ATOM 422 OG SER A 30 -6.603 -6.403 -0.506 1.00 0.00 O ATOM 0 H SER A 30 -4.804 -6.199 -1.451 1.00 0.00 H new ATOM 0 HA SER A 30 -4.291 -8.577 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.071 -8.409 -0.413 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.121 -7.803 0.929 1.00 0.00 H new ATOM 0 HG SER A 30 -7.099 -5.988 0.230 1.00 0.00 H new ATOM 428 N PRO A 31 -5.727 -10.477 -1.283 1.00 0.00 N ATOM 429 CA PRO A 31 -6.061 -11.627 -2.106 1.00 0.00 C ATOM 430 C PRO A 31 -7.397 -11.419 -2.822 1.00 0.00 C ATOM 431 O PRO A 31 -8.122 -10.471 -2.527 1.00 0.00 O ATOM 432 CB PRO A 31 -6.078 -12.806 -1.147 1.00 0.00 C ATOM 433 CG PRO A 31 -6.212 -12.209 0.245 1.00 0.00 C ATOM 434 CD PRO A 31 -5.923 -10.721 0.143 1.00 0.00 C ATOM 0 HA PRO A 31 -5.342 -11.794 -2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.909 -13.476 -1.366 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.164 -13.393 -1.234 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.215 -12.377 0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.516 -12.687 0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.750 -10.129 0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.037 -10.450 0.716 1.00 0.00 H new ATOM 442 N GLY A 32 -7.681 -12.322 -3.750 1.00 0.00 N ATOM 443 CA GLY A 32 -8.917 -12.249 -4.510 1.00 0.00 C ATOM 444 C GLY A 32 -9.524 -13.640 -4.703 1.00 0.00 C ATOM 445 O GLY A 32 -9.207 -14.569 -3.961 1.00 0.00 O ATOM 0 H GLY A 32 -7.077 -13.107 -3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.629 -11.606 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.724 -11.794 -5.482 1.00 0.00 H new ATOM 449 N PRO A 33 -10.408 -13.744 -5.731 1.00 0.00 N ATOM 450 CA PRO A 33 -11.063 -15.006 -6.032 1.00 0.00 C ATOM 451 C PRO A 33 -10.098 -15.974 -6.719 1.00 0.00 C ATOM 452 O PRO A 33 -10.481 -17.084 -7.083 1.00 0.00 O ATOM 453 CB PRO A 33 -12.252 -14.635 -6.902 1.00 0.00 C ATOM 454 CG PRO A 33 -11.958 -13.244 -7.439 1.00 0.00 C ATOM 455 CD PRO A 33 -10.807 -12.666 -6.632 1.00 0.00 C ATOM 0 HA PRO A 33 -11.392 -15.533 -5.136 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.378 -15.349 -7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.176 -14.643 -6.324 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.697 -13.290 -8.496 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.840 -12.608 -7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.983 -12.364 -7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.118 -11.781 -6.077 1.00 0.00 H new ATOM 463 N HIS A 34 -8.864 -15.517 -6.876 1.00 0.00 N ATOM 464 CA HIS A 34 -7.841 -16.329 -7.513 1.00 0.00 C ATOM 465 C HIS A 34 -6.799 -16.750 -6.475 1.00 0.00 C ATOM 466 O HIS A 34 -6.507 -17.936 -6.328 1.00 0.00 O ATOM 467 CB HIS A 34 -7.227 -15.592 -8.705 1.00 0.00 C ATOM 468 CG HIS A 34 -7.203 -14.090 -8.552 1.00 0.00 C ATOM 469 ND1 HIS A 34 -8.354 -13.321 -8.526 1.00 0.00 N ATOM 470 CD2 HIS A 34 -6.158 -13.224 -8.417 1.00 0.00 C ATOM 471 CE1 HIS A 34 -8.005 -12.051 -8.382 1.00 0.00 C ATOM 472 NE2 HIS A 34 -6.644 -11.993 -8.315 1.00 0.00 N ATOM 0 H HIS A 34 -8.550 -14.595 -6.573 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.290 -17.238 -7.914 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.208 -15.948 -8.853 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.788 -15.846 -9.604 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.112 -13.494 -8.397 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.680 -11.209 -8.327 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.091 -11.143 -8.205 1.00 0.00 H new ATOM 480 N CYS A 35 -6.266 -15.754 -5.782 1.00 0.00 N ATOM 481 CA CYS A 35 -5.263 -16.006 -4.761 1.00 0.00 C ATOM 482 C CYS A 35 -5.872 -15.677 -3.397 1.00 0.00 C ATOM 483 O CYS A 35 -6.353 -14.566 -3.180 1.00 0.00 O ATOM 484 CB CYS A 35 -3.981 -15.213 -5.021 1.00 0.00 C ATOM 485 SG CYS A 35 -2.536 -16.225 -5.508 1.00 0.00 S ATOM 0 H CYS A 35 -6.510 -14.772 -5.907 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.973 -17.057 -4.783 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.176 -14.482 -5.806 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.728 -14.654 -4.120 1.00 0.00 H new ATOM 490 N ALA A 36 -5.831 -16.663 -2.513 1.00 0.00 N ATOM 491 CA ALA A 36 -6.373 -16.491 -1.175 1.00 0.00 C ATOM 492 C ALA A 36 -5.257 -16.038 -0.232 1.00 0.00 C ATOM 493 O ALA A 36 -5.339 -16.245 0.978 1.00 0.00 O ATOM 494 CB ALA A 36 -7.027 -17.797 -0.719 1.00 0.00 C ATOM 0 H ALA A 36 -5.431 -17.583 -2.697 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.143 -15.720 -1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.434 -17.669 0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.831 -18.060 -1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.282 -18.593 -0.710 1.00 0.00 H new ATOM 500 N GLN A 37 -4.239 -15.426 -0.821 1.00 0.00 N ATOM 501 CA GLN A 37 -3.108 -14.942 -0.048 1.00 0.00 C ATOM 502 C GLN A 37 -2.747 -13.517 -0.474 1.00 0.00 C ATOM 503 O GLN A 37 -2.983 -13.127 -1.616 1.00 0.00 O ATOM 504 CB GLN A 37 -1.907 -15.878 -0.189 1.00 0.00 C ATOM 505 CG GLN A 37 -2.357 -17.335 -0.306 1.00 0.00 C ATOM 506 CD GLN A 37 -2.382 -17.786 -1.768 1.00 0.00 C ATOM 507 OE1 GLN A 37 -2.484 -16.990 -2.688 1.00 0.00 O ATOM 508 NE2 GLN A 37 -2.282 -19.102 -1.931 1.00 0.00 N ATOM 0 H GLN A 37 -4.174 -15.255 -1.824 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.391 -14.926 1.004 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.327 -15.601 -1.070 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.250 -15.765 0.674 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.683 -17.974 0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.349 -17.449 0.130 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.199 -19.712 -1.118 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.288 -19.502 -2.869 1.00 0.00 H new ATOM 517 N THR A 38 -2.179 -12.779 0.469 1.00 0.00 N ATOM 518 CA THR A 38 -1.782 -11.406 0.206 1.00 0.00 C ATOM 519 C THR A 38 -0.423 -11.368 -0.496 1.00 0.00 C ATOM 520 O THR A 38 0.315 -12.352 -0.479 1.00 0.00 O ATOM 521 CB THR A 38 -1.801 -10.646 1.534 1.00 0.00 C ATOM 522 OG1 THR A 38 -3.107 -10.885 2.052 1.00 0.00 O ATOM 523 CG2 THR A 38 -1.749 -9.129 1.341 1.00 0.00 C ATOM 0 H THR A 38 -1.984 -13.106 1.415 1.00 0.00 H new ATOM 0 HA THR A 38 -2.478 -10.917 -0.476 1.00 0.00 H new ATOM 0 HB THR A 38 -0.957 -10.963 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.205 -10.429 2.914 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.765 -8.638 2.314 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.834 -8.860 0.814 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.611 -8.807 0.758 1.00 0.00 H new ATOM 531 N GLU A 39 -0.135 -10.223 -1.097 1.00 0.00 N ATOM 532 CA GLU A 39 1.122 -10.045 -1.803 1.00 0.00 C ATOM 533 C GLU A 39 1.597 -8.595 -1.683 1.00 0.00 C ATOM 534 O GLU A 39 1.317 -7.772 -2.554 1.00 0.00 O ATOM 535 CB GLU A 39 0.990 -10.459 -3.270 1.00 0.00 C ATOM 536 CG GLU A 39 -0.394 -10.105 -3.817 1.00 0.00 C ATOM 537 CD GLU A 39 -1.237 -11.364 -4.031 1.00 0.00 C ATOM 538 OE1 GLU A 39 -0.908 -12.114 -4.975 1.00 0.00 O ATOM 539 OE2 GLU A 39 -2.192 -11.547 -3.246 1.00 0.00 O ATOM 0 H GLU A 39 -0.750 -9.410 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 39 1.870 -10.691 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.757 -9.961 -3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.159 -11.532 -3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.903 -9.436 -3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.290 -9.568 -4.760 1.00 0.00 H new ATOM 546 N VAL A 40 2.309 -8.327 -0.598 1.00 0.00 N ATOM 547 CA VAL A 40 2.825 -6.992 -0.353 1.00 0.00 C ATOM 548 C VAL A 40 4.046 -6.750 -1.243 1.00 0.00 C ATOM 549 O VAL A 40 4.977 -7.554 -1.257 1.00 0.00 O ATOM 550 CB VAL A 40 3.127 -6.813 1.136 1.00 0.00 C ATOM 551 CG1 VAL A 40 3.577 -5.381 1.436 1.00 0.00 C ATOM 552 CG2 VAL A 40 1.918 -7.198 1.991 1.00 0.00 C ATOM 0 H VAL A 40 2.540 -9.012 0.121 1.00 0.00 H new ATOM 0 HA VAL A 40 2.079 -6.241 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 40 3.947 -7.483 1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.785 -5.281 2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.479 -5.156 0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.787 -4.685 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.160 -7.062 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.070 -6.565 1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.662 -8.242 1.810 1.00 0.00 H new ATOM 562 N ILE A 41 4.002 -5.640 -1.965 1.00 0.00 N ATOM 563 CA ILE A 41 5.092 -5.283 -2.856 1.00 0.00 C ATOM 564 C ILE A 41 5.603 -3.887 -2.496 1.00 0.00 C ATOM 565 O ILE A 41 4.815 -2.954 -2.342 1.00 0.00 O ATOM 566 CB ILE A 41 4.658 -5.422 -4.317 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.652 -6.562 -4.484 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.870 -5.587 -5.236 1.00 0.00 C ATOM 569 CD1 ILE A 41 4.190 -7.861 -3.881 1.00 0.00 C ATOM 0 H ILE A 41 3.228 -4.976 -1.951 1.00 0.00 H new ATOM 0 HA ILE A 41 5.928 -5.971 -2.730 1.00 0.00 H new ATOM 0 HB ILE A 41 4.154 -4.502 -4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.712 -6.295 -4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.437 -6.710 -5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.533 -5.684 -6.268 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.517 -4.714 -5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.424 -6.481 -4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.455 -8.655 -4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.118 -8.138 -4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.381 -7.717 -2.818 1.00 0.00 H new ATOM 581 N ALA A 42 6.918 -3.786 -2.373 1.00 0.00 N ATOM 582 CA ALA A 42 7.543 -2.519 -2.034 1.00 0.00 C ATOM 583 C ALA A 42 8.499 -2.110 -3.157 1.00 0.00 C ATOM 584 O ALA A 42 9.279 -2.927 -3.641 1.00 0.00 O ATOM 585 CB ALA A 42 8.251 -2.643 -0.683 1.00 0.00 C ATOM 0 H ALA A 42 7.568 -4.561 -2.502 1.00 0.00 H new ATOM 0 HA ALA A 42 6.792 -1.735 -1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.720 -1.692 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.524 -2.906 0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.014 -3.419 -0.742 1.00 0.00 H new ATOM 591 N THR A 43 8.405 -0.844 -3.538 1.00 0.00 N ATOM 592 CA THR A 43 9.252 -0.317 -4.595 1.00 0.00 C ATOM 593 C THR A 43 10.573 0.193 -4.016 1.00 0.00 C ATOM 594 O THR A 43 10.584 0.876 -2.992 1.00 0.00 O ATOM 595 CB THR A 43 8.461 0.759 -5.341 1.00 0.00 C ATOM 596 OG1 THR A 43 7.467 0.028 -6.055 1.00 0.00 O ATOM 597 CG2 THR A 43 9.284 1.436 -6.439 1.00 0.00 C ATOM 0 H THR A 43 7.756 -0.169 -3.134 1.00 0.00 H new ATOM 0 HA THR A 43 9.525 -1.095 -5.308 1.00 0.00 H new ATOM 0 HB THR A 43 8.114 1.510 -4.632 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.907 0.650 -6.566 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.675 2.191 -6.937 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.160 1.910 -5.997 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.603 0.690 -7.167 1.00 0.00 H new ATOM 605 N LEU A 44 11.655 -0.159 -4.695 1.00 0.00 N ATOM 606 CA LEU A 44 12.978 0.255 -4.261 1.00 0.00 C ATOM 607 C LEU A 44 13.256 1.673 -4.764 1.00 0.00 C ATOM 608 O LEU A 44 12.751 2.073 -5.812 1.00 0.00 O ATOM 609 CB LEU A 44 14.029 -0.769 -4.696 1.00 0.00 C ATOM 610 CG LEU A 44 15.012 -1.222 -3.615 1.00 0.00 C ATOM 611 CD1 LEU A 44 15.713 -2.520 -4.020 1.00 0.00 C ATOM 612 CD2 LEU A 44 16.011 -0.111 -3.283 1.00 0.00 C ATOM 0 H LEU A 44 11.642 -0.726 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 44 13.029 0.288 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.513 -1.648 -5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.599 -0.346 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 44 14.448 -1.431 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.406 -2.820 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.970 -3.304 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 44 16.263 -2.362 -4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.699 -0.458 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 44 16.573 0.152 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.473 0.766 -2.921 1.00 0.00 H new ATOM 624 N LYS A 45 14.058 2.393 -3.994 1.00 0.00 N ATOM 625 CA LYS A 45 14.409 3.758 -4.349 1.00 0.00 C ATOM 626 C LYS A 45 15.408 3.738 -5.507 1.00 0.00 C ATOM 627 O LYS A 45 15.783 4.789 -6.026 1.00 0.00 O ATOM 628 CB LYS A 45 14.908 4.520 -3.119 1.00 0.00 C ATOM 629 CG LYS A 45 15.180 5.987 -3.457 1.00 0.00 C ATOM 630 CD LYS A 45 16.662 6.213 -3.761 1.00 0.00 C ATOM 631 CE LYS A 45 17.295 7.158 -2.738 1.00 0.00 C ATOM 632 NZ LYS A 45 18.760 7.228 -2.933 1.00 0.00 N ATOM 0 H LYS A 45 14.475 2.057 -3.126 1.00 0.00 H new ATOM 0 HA LYS A 45 13.529 4.300 -4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.166 4.458 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.819 4.055 -2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.579 6.283 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.876 6.619 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.188 5.258 -3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.772 6.629 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.861 8.153 -2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.073 6.812 -1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 19.173 7.874 -2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.171 6.280 -2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.966 7.580 -3.890 1.00 0.00 H new ATOM 646 N ASN A 46 15.811 2.532 -5.879 1.00 0.00 N ATOM 647 CA ASN A 46 16.759 2.362 -6.967 1.00 0.00 C ATOM 648 C ASN A 46 16.000 2.021 -8.251 1.00 0.00 C ATOM 649 O ASN A 46 16.585 1.995 -9.333 1.00 0.00 O ATOM 650 CB ASN A 46 17.732 1.218 -6.675 1.00 0.00 C ATOM 651 CG ASN A 46 18.021 0.407 -7.940 1.00 0.00 C ATOM 652 OD1 ASN A 46 18.608 0.887 -8.896 1.00 0.00 O ATOM 653 ND2 ASN A 46 17.576 -0.845 -7.893 1.00 0.00 N ATOM 0 H ASN A 46 15.498 1.663 -5.446 1.00 0.00 H new ATOM 0 HA ASN A 46 17.317 3.292 -7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 46 18.663 1.621 -6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.313 0.566 -5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.718 -1.467 -8.689 1.00 0.00 H new ATOM 0 HD22 ASN A 46 17.092 -1.183 -7.061 1.00 0.00 H new ATOM 660 N GLY A 47 14.710 1.769 -8.088 1.00 0.00 N ATOM 661 CA GLY A 47 13.865 1.431 -9.221 1.00 0.00 C ATOM 662 C GLY A 47 13.443 -0.039 -9.171 1.00 0.00 C ATOM 663 O GLY A 47 12.582 -0.468 -9.938 1.00 0.00 O ATOM 0 H GLY A 47 14.229 1.792 -7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.980 2.067 -9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.400 1.628 -10.150 1.00 0.00 H new ATOM 667 N GLN A 48 14.069 -0.771 -8.261 1.00 0.00 N ATOM 668 CA GLN A 48 13.770 -2.184 -8.101 1.00 0.00 C ATOM 669 C GLN A 48 12.554 -2.368 -7.191 1.00 0.00 C ATOM 670 O GLN A 48 11.902 -1.395 -6.815 1.00 0.00 O ATOM 671 CB GLN A 48 14.981 -2.943 -7.558 1.00 0.00 C ATOM 672 CG GLN A 48 15.888 -3.415 -8.697 1.00 0.00 C ATOM 673 CD GLN A 48 17.083 -4.203 -8.155 1.00 0.00 C ATOM 674 OE1 GLN A 48 17.558 -3.981 -7.054 1.00 0.00 O ATOM 675 NE2 GLN A 48 17.541 -5.132 -8.989 1.00 0.00 N ATOM 0 H GLN A 48 14.782 -0.412 -7.627 1.00 0.00 H new ATOM 0 HA GLN A 48 13.533 -2.599 -9.081 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.545 -2.300 -6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.646 -3.801 -6.976 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.318 -4.039 -9.386 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.242 -2.555 -9.265 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.096 -5.266 -9.897 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.337 -5.711 -8.721 1.00 0.00 H new ATOM 684 N LYS A 49 12.285 -3.624 -6.864 1.00 0.00 N ATOM 685 CA LYS A 49 11.159 -3.949 -6.005 1.00 0.00 C ATOM 686 C LYS A 49 11.511 -5.166 -5.148 1.00 0.00 C ATOM 687 O LYS A 49 12.210 -6.070 -5.604 1.00 0.00 O ATOM 688 CB LYS A 49 9.886 -4.129 -6.836 1.00 0.00 C ATOM 689 CG LYS A 49 9.622 -2.901 -7.708 1.00 0.00 C ATOM 690 CD LYS A 49 8.198 -2.922 -8.267 1.00 0.00 C ATOM 691 CE LYS A 49 8.179 -2.488 -9.735 1.00 0.00 C ATOM 692 NZ LYS A 49 7.069 -1.541 -9.981 1.00 0.00 N ATOM 0 H LYS A 49 12.828 -4.428 -7.179 1.00 0.00 H new ATOM 0 HA LYS A 49 10.952 -3.126 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.981 -5.013 -7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.037 -4.299 -6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.773 -1.995 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.338 -2.873 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.782 -3.925 -8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.563 -2.259 -7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.129 -2.020 -9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.069 -3.362 -10.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.071 -1.257 -10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.164 -2.000 -9.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.191 -0.700 -9.382 1.00 0.00 H new ATOM 706 N ALA A 50 11.012 -5.149 -3.920 1.00 0.00 N ATOM 707 CA ALA A 50 11.266 -6.240 -2.995 1.00 0.00 C ATOM 708 C ALA A 50 9.937 -6.735 -2.420 1.00 0.00 C ATOM 709 O ALA A 50 9.308 -6.045 -1.618 1.00 0.00 O ATOM 710 CB ALA A 50 12.234 -5.772 -1.907 1.00 0.00 C ATOM 0 H ALA A 50 10.434 -4.397 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 50 11.735 -7.078 -3.510 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.425 -6.591 -1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.172 -5.459 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.796 -4.933 -1.367 1.00 0.00 H new ATOM 716 N CYS A 51 9.548 -7.926 -2.851 1.00 0.00 N ATOM 717 CA CYS A 51 8.306 -8.521 -2.390 1.00 0.00 C ATOM 718 C CYS A 51 8.445 -8.826 -0.897 1.00 0.00 C ATOM 719 O CYS A 51 9.481 -9.321 -0.455 1.00 0.00 O ATOM 720 CB CYS A 51 7.942 -9.769 -3.196 1.00 0.00 C ATOM 721 SG CYS A 51 6.696 -9.498 -4.509 1.00 0.00 S ATOM 0 H CYS A 51 10.072 -8.495 -3.515 1.00 0.00 H new ATOM 0 HA CYS A 51 7.486 -7.820 -2.542 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.849 -10.167 -3.652 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.568 -10.530 -2.511 1.00 0.00 H new ATOM 726 N LEU A 52 7.387 -8.518 -0.161 1.00 0.00 N ATOM 727 CA LEU A 52 7.379 -8.754 1.273 1.00 0.00 C ATOM 728 C LEU A 52 6.324 -9.812 1.605 1.00 0.00 C ATOM 729 O LEU A 52 5.375 -10.006 0.848 1.00 0.00 O ATOM 730 CB LEU A 52 7.190 -7.439 2.031 1.00 0.00 C ATOM 731 CG LEU A 52 8.227 -6.349 1.751 1.00 0.00 C ATOM 732 CD1 LEU A 52 7.698 -4.972 2.159 1.00 0.00 C ATOM 733 CD2 LEU A 52 9.561 -6.674 2.426 1.00 0.00 C ATOM 0 H LEU A 52 6.530 -8.107 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 52 8.341 -9.148 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.203 -7.044 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.197 -7.654 3.100 1.00 0.00 H new ATOM 0 HG LEU A 52 8.410 -6.319 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.454 -4.215 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.794 -4.748 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.469 -4.971 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.280 -5.883 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.415 -6.748 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.940 -7.622 2.045 1.00 0.00 H new ATOM 745 N ASN A 53 6.527 -10.468 2.738 1.00 0.00 N ATOM 746 CA ASN A 53 5.606 -11.501 3.180 1.00 0.00 C ATOM 747 C ASN A 53 4.561 -10.883 4.111 1.00 0.00 C ATOM 748 O ASN A 53 4.909 -10.272 5.121 1.00 0.00 O ATOM 749 CB ASN A 53 6.339 -12.598 3.954 1.00 0.00 C ATOM 750 CG ASN A 53 5.438 -13.817 4.164 1.00 0.00 C ATOM 751 OD1 ASN A 53 5.392 -14.246 5.422 1.00 0.00 O flip ATOM 752 ND2 ASN A 53 4.825 -14.334 3.244 1.00 0.00 N flip ATOM 0 H ASN A 53 7.316 -10.304 3.363 1.00 0.00 H new ATOM 0 HA ASN A 53 5.137 -11.935 2.297 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.236 -12.894 3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.664 -12.211 4.920 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.905 -13.954 2.301 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.233 -15.146 3.418 1.00 0.00 H new ATOM 759 N PRO A 54 3.269 -11.067 3.729 1.00 0.00 N ATOM 760 CA PRO A 54 2.172 -10.534 4.518 1.00 0.00 C ATOM 761 C PRO A 54 1.953 -11.366 5.784 1.00 0.00 C ATOM 762 O PRO A 54 1.049 -11.082 6.569 1.00 0.00 O ATOM 763 CB PRO A 54 0.973 -10.547 3.584 1.00 0.00 C ATOM 764 CG PRO A 54 1.327 -11.511 2.464 1.00 0.00 C ATOM 765 CD PRO A 54 2.821 -11.785 2.539 1.00 0.00 C ATOM 0 HA PRO A 54 2.366 -9.525 4.881 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.074 -10.870 4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.772 -9.550 3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.763 -12.438 2.566 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.065 -11.084 1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.024 -12.853 2.620 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.334 -11.430 1.645 1.00 0.00 H new ATOM 773 N ALA A 55 2.794 -12.377 5.942 1.00 0.00 N ATOM 774 CA ALA A 55 2.703 -13.252 7.099 1.00 0.00 C ATOM 775 C ALA A 55 3.885 -12.980 8.032 1.00 0.00 C ATOM 776 O ALA A 55 4.167 -13.774 8.929 1.00 0.00 O ATOM 777 CB ALA A 55 2.650 -14.708 6.634 1.00 0.00 C ATOM 0 H ALA A 55 3.542 -12.610 5.288 1.00 0.00 H new ATOM 0 HA ALA A 55 1.789 -13.055 7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.582 -15.365 7.501 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.777 -14.855 5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.553 -14.943 6.071 1.00 0.00 H new ATOM 783 N SER A 56 4.544 -11.857 7.789 1.00 0.00 N ATOM 784 CA SER A 56 5.689 -11.472 8.596 1.00 0.00 C ATOM 785 C SER A 56 5.349 -10.235 9.430 1.00 0.00 C ATOM 786 O SER A 56 4.606 -9.363 8.980 1.00 0.00 O ATOM 787 CB SER A 56 6.914 -11.201 7.720 1.00 0.00 C ATOM 788 OG SER A 56 7.862 -10.359 8.373 1.00 0.00 O ATOM 0 H SER A 56 4.307 -11.201 7.045 1.00 0.00 H new ATOM 0 HA SER A 56 5.930 -12.298 9.265 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.389 -12.147 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.597 -10.735 6.787 1.00 0.00 H new ATOM 0 HG SER A 56 8.757 -10.536 8.016 1.00 0.00 H new ATOM 794 N PRO A 57 5.923 -10.197 10.662 1.00 0.00 N ATOM 795 CA PRO A 57 5.688 -9.081 11.563 1.00 0.00 C ATOM 796 C PRO A 57 6.473 -7.845 11.121 1.00 0.00 C ATOM 797 O PRO A 57 5.979 -6.722 11.222 1.00 0.00 O ATOM 798 CB PRO A 57 6.102 -9.589 12.934 1.00 0.00 C ATOM 799 CG PRO A 57 6.984 -10.800 12.681 1.00 0.00 C ATOM 800 CD PRO A 57 6.807 -11.211 11.229 1.00 0.00 C ATOM 0 HA PRO A 57 4.647 -8.758 11.570 1.00 0.00 H new ATOM 0 HB2 PRO A 57 6.642 -8.821 13.488 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.230 -9.859 13.530 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.028 -10.561 12.886 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.708 -11.619 13.346 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.763 -11.240 10.706 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.370 -12.206 11.150 1.00 0.00 H new ATOM 808 N MET A 58 7.683 -8.092 10.641 1.00 0.00 N ATOM 809 CA MET A 58 8.541 -7.012 10.183 1.00 0.00 C ATOM 810 C MET A 58 7.941 -6.316 8.960 1.00 0.00 C ATOM 811 O MET A 58 8.202 -5.138 8.722 1.00 0.00 O ATOM 812 CB MET A 58 9.920 -7.572 9.827 1.00 0.00 C ATOM 813 CG MET A 58 11.018 -6.543 10.103 1.00 0.00 C ATOM 814 SD MET A 58 12.113 -7.145 11.377 1.00 0.00 S ATOM 815 CE MET A 58 10.933 -7.458 12.679 1.00 0.00 C ATOM 0 H MET A 58 8.090 -9.024 10.559 1.00 0.00 H new ATOM 0 HA MET A 58 8.632 -6.280 10.985 1.00 0.00 H new ATOM 0 HB2 MET A 58 10.110 -8.476 10.406 1.00 0.00 H new ATOM 0 HB3 MET A 58 9.940 -7.857 8.775 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.581 -6.347 9.191 1.00 0.00 H new ATOM 0 HG3 MET A 58 10.572 -5.598 10.412 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.442 -7.441 13.643 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.161 -6.689 12.663 1.00 0.00 H new ATOM 0 HE3 MET A 58 10.475 -8.435 12.527 1.00 0.00 H new ATOM 825 N VAL A 59 7.149 -7.074 8.216 1.00 0.00 N ATOM 826 CA VAL A 59 6.510 -6.545 7.024 1.00 0.00 C ATOM 827 C VAL A 59 5.442 -5.528 7.431 1.00 0.00 C ATOM 828 O VAL A 59 4.982 -4.741 6.605 1.00 0.00 O ATOM 829 CB VAL A 59 5.953 -7.690 6.176 1.00 0.00 C ATOM 830 CG1 VAL A 59 4.852 -7.192 5.237 1.00 0.00 C ATOM 831 CG2 VAL A 59 7.068 -8.386 5.394 1.00 0.00 C ATOM 0 H VAL A 59 6.935 -8.051 8.416 1.00 0.00 H new ATOM 0 HA VAL A 59 7.237 -6.022 6.402 1.00 0.00 H new ATOM 0 HB VAL A 59 5.511 -8.422 6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.473 -8.026 4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.039 -6.765 5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.258 -6.430 4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.645 -9.196 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.553 -7.667 4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.802 -8.792 6.090 1.00 0.00 H new ATOM 841 N LYS A 60 5.079 -5.577 8.705 1.00 0.00 N ATOM 842 CA LYS A 60 4.073 -4.670 9.232 1.00 0.00 C ATOM 843 C LYS A 60 4.765 -3.518 9.963 1.00 0.00 C ATOM 844 O LYS A 60 4.103 -2.663 10.548 1.00 0.00 O ATOM 845 CB LYS A 60 3.066 -5.431 10.096 1.00 0.00 C ATOM 846 CG LYS A 60 2.723 -6.787 9.475 1.00 0.00 C ATOM 847 CD LYS A 60 1.811 -6.617 8.258 1.00 0.00 C ATOM 848 CE LYS A 60 0.372 -6.325 8.689 1.00 0.00 C ATOM 849 NZ LYS A 60 -0.511 -7.464 8.352 1.00 0.00 N ATOM 0 H LYS A 60 5.464 -6.230 9.387 1.00 0.00 H new ATOM 0 HA LYS A 60 3.493 -4.230 8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.477 -5.578 11.095 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.158 -4.839 10.209 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.639 -7.298 9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.232 -7.417 10.217 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.180 -5.803 7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.836 -7.522 7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.339 -6.136 9.762 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.014 -5.421 8.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.484 -7.250 8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.492 -7.626 7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.178 -8.318 8.843 1.00 0.00 H new ATOM 863 N LYS A 61 6.089 -3.533 9.905 1.00 0.00 N ATOM 864 CA LYS A 61 6.878 -2.500 10.555 1.00 0.00 C ATOM 865 C LYS A 61 7.652 -1.713 9.495 1.00 0.00 C ATOM 866 O LYS A 61 8.151 -0.623 9.768 1.00 0.00 O ATOM 867 CB LYS A 61 7.767 -3.108 11.641 1.00 0.00 C ATOM 868 CG LYS A 61 6.926 -3.807 12.711 1.00 0.00 C ATOM 869 CD LYS A 61 7.382 -3.406 14.116 1.00 0.00 C ATOM 870 CE LYS A 61 6.512 -4.070 15.185 1.00 0.00 C ATOM 871 NZ LYS A 61 6.496 -3.253 16.419 1.00 0.00 N ATOM 0 H LYS A 61 6.635 -4.244 9.418 1.00 0.00 H new ATOM 0 HA LYS A 61 6.228 -1.791 11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.458 -3.822 11.193 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.371 -2.326 12.101 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.875 -3.549 12.578 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.006 -4.888 12.593 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.424 -3.693 14.260 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.332 -2.322 14.223 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.496 -4.194 14.810 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.894 -5.067 15.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.901 -3.717 17.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.465 -3.156 16.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.110 -2.311 16.207 1.00 0.00 H new ATOM 885 N ILE A 62 7.727 -2.297 8.308 1.00 0.00 N ATOM 886 CA ILE A 62 8.432 -1.664 7.206 1.00 0.00 C ATOM 887 C ILE A 62 7.436 -0.867 6.361 1.00 0.00 C ATOM 888 O ILE A 62 7.833 -0.015 5.568 1.00 0.00 O ATOM 889 CB ILE A 62 9.222 -2.704 6.409 1.00 0.00 C ATOM 890 CG1 ILE A 62 10.175 -3.483 7.317 1.00 0.00 C ATOM 891 CG2 ILE A 62 9.955 -2.052 5.234 1.00 0.00 C ATOM 892 CD1 ILE A 62 10.400 -4.901 6.789 1.00 0.00 C ATOM 0 H ILE A 62 7.311 -3.201 8.085 1.00 0.00 H new ATOM 0 HA ILE A 62 9.171 -0.956 7.581 1.00 0.00 H new ATOM 0 HB ILE A 62 8.517 -3.422 5.991 1.00 0.00 H new ATOM 0 HG12 ILE A 62 11.129 -2.960 7.383 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.766 -3.528 8.326 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.509 -2.812 4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.231 -1.579 4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.648 -1.299 5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.081 -5.433 7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.447 -5.429 6.748 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.832 -4.853 5.789 1.00 0.00 H new ATOM 904 N ILE A 63 6.162 -1.173 6.558 1.00 0.00 N ATOM 905 CA ILE A 63 5.107 -0.496 5.824 1.00 0.00 C ATOM 906 C ILE A 63 4.595 0.686 6.649 1.00 0.00 C ATOM 907 O ILE A 63 4.602 1.824 6.181 1.00 0.00 O ATOM 908 CB ILE A 63 4.013 -1.487 5.423 1.00 0.00 C ATOM 909 CG1 ILE A 63 4.466 -2.361 4.252 1.00 0.00 C ATOM 910 CG2 ILE A 63 2.700 -0.761 5.122 1.00 0.00 C ATOM 911 CD1 ILE A 63 3.769 -3.723 4.283 1.00 0.00 C ATOM 0 H ILE A 63 5.837 -1.881 7.216 1.00 0.00 H new ATOM 0 HA ILE A 63 5.493 -0.089 4.890 1.00 0.00 H new ATOM 0 HB ILE A 63 3.828 -2.151 6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.246 -1.857 3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.546 -2.500 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.939 -1.488 4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.372 -0.219 6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.852 -0.058 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.109 -4.325 3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.011 -4.234 5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.690 -3.581 4.216 1.00 0.00 H new ATOM 923 N GLU A 64 4.163 0.376 7.863 1.00 0.00 N ATOM 924 CA GLU A 64 3.648 1.399 8.757 1.00 0.00 C ATOM 925 C GLU A 64 4.646 2.553 8.874 1.00 0.00 C ATOM 926 O GLU A 64 4.249 3.714 8.969 1.00 0.00 O ATOM 927 CB GLU A 64 3.326 0.812 10.133 1.00 0.00 C ATOM 928 CG GLU A 64 2.160 -0.176 10.048 1.00 0.00 C ATOM 929 CD GLU A 64 2.149 -1.115 11.256 1.00 0.00 C ATOM 930 OE1 GLU A 64 2.817 -0.766 12.253 1.00 0.00 O ATOM 931 OE2 GLU A 64 1.472 -2.161 11.155 1.00 0.00 O ATOM 0 H GLU A 64 4.159 -0.569 8.248 1.00 0.00 H new ATOM 0 HA GLU A 64 2.720 1.788 8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.206 0.308 10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.077 1.616 10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.218 0.371 9.999 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.238 -0.759 9.130 1.00 0.00 H new ATOM 938 N LYS A 65 5.921 2.195 8.862 1.00 0.00 N ATOM 939 CA LYS A 65 6.978 3.186 8.966 1.00 0.00 C ATOM 940 C LYS A 65 7.088 3.948 7.643 1.00 0.00 C ATOM 941 O LYS A 65 7.404 5.137 7.632 1.00 0.00 O ATOM 942 CB LYS A 65 8.288 2.529 9.407 1.00 0.00 C ATOM 943 CG LYS A 65 8.483 2.658 10.919 1.00 0.00 C ATOM 944 CD LYS A 65 9.654 3.587 11.244 1.00 0.00 C ATOM 945 CE LYS A 65 10.457 3.061 12.436 1.00 0.00 C ATOM 946 NZ LYS A 65 11.711 2.425 11.976 1.00 0.00 N ATOM 0 H LYS A 65 6.246 1.232 8.782 1.00 0.00 H new ATOM 0 HA LYS A 65 6.739 3.917 9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.284 1.476 9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.126 2.994 8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.571 3.043 11.375 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.664 1.674 11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.304 3.676 10.374 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.279 4.586 11.466 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.687 3.880 13.117 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.860 2.340 12.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.244 2.074 12.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.486 1.631 11.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.286 3.123 11.463 1.00 0.00 H new ATOM 960 N MET A 66 6.821 3.232 6.561 1.00 0.00 N ATOM 961 CA MET A 66 6.885 3.826 5.236 1.00 0.00 C ATOM 962 C MET A 66 5.882 4.973 5.100 1.00 0.00 C ATOM 963 O MET A 66 6.164 5.974 4.444 1.00 0.00 O ATOM 964 CB MET A 66 6.586 2.757 4.182 1.00 0.00 C ATOM 965 CG MET A 66 7.812 2.494 3.305 1.00 0.00 C ATOM 966 SD MET A 66 8.051 3.850 2.169 1.00 0.00 S ATOM 967 CE MET A 66 6.408 3.972 1.481 1.00 0.00 C ATOM 0 H MET A 66 6.560 2.246 6.574 1.00 0.00 H new ATOM 0 HA MET A 66 7.888 4.226 5.086 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.280 1.833 4.673 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.751 3.079 3.559 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.697 2.372 3.930 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.681 1.564 2.752 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.475 4.185 0.414 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.880 3.030 1.631 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.864 4.776 1.978 1.00 0.00 H new ATOM 977 N LEU A 67 4.732 4.788 5.730 1.00 0.00 N ATOM 978 CA LEU A 67 3.685 5.795 5.687 1.00 0.00 C ATOM 979 C LEU A 67 4.126 7.018 6.494 1.00 0.00 C ATOM 980 O LEU A 67 3.543 8.093 6.367 1.00 0.00 O ATOM 981 CB LEU A 67 2.352 5.202 6.149 1.00 0.00 C ATOM 982 CG LEU A 67 1.607 4.346 5.123 1.00 0.00 C ATOM 983 CD1 LEU A 67 2.515 3.248 4.563 1.00 0.00 C ATOM 984 CD2 LEU A 67 0.318 3.776 5.717 1.00 0.00 C ATOM 0 H LEU A 67 4.502 3.956 6.273 1.00 0.00 H new ATOM 0 HA LEU A 67 3.521 6.130 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.535 4.594 7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.699 6.020 6.453 1.00 0.00 H new ATOM 0 HG LEU A 67 1.321 4.985 4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.961 2.654 3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.379 3.702 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.852 2.605 5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.192 3.172 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.558 3.156 6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.332 4.594 6.027 1.00 0.00 H new ATOM 996 N LYS A 68 5.153 6.812 7.306 1.00 0.00 N ATOM 997 CA LYS A 68 5.679 7.885 8.133 1.00 0.00 C ATOM 998 C LYS A 68 6.983 8.402 7.521 1.00 0.00 C ATOM 999 O LYS A 68 7.326 9.573 7.679 1.00 0.00 O ATOM 1000 CB LYS A 68 5.822 7.422 9.584 1.00 0.00 C ATOM 1001 CG LYS A 68 4.612 7.849 10.417 1.00 0.00 C ATOM 1002 CD LYS A 68 4.934 9.087 11.256 1.00 0.00 C ATOM 1003 CE LYS A 68 3.874 9.308 12.337 1.00 0.00 C ATOM 1004 NZ LYS A 68 4.092 10.603 13.020 1.00 0.00 N ATOM 0 H LYS A 68 5.634 5.919 7.409 1.00 0.00 H new ATOM 0 HA LYS A 68 4.983 8.724 8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.925 6.337 9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.731 7.841 10.015 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.769 8.060 9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.309 7.031 11.071 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.913 8.971 11.720 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.989 9.964 10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.880 9.289 11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.912 8.496 13.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.364 10.737 13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.033 10.607 13.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.033 11.376 12.326 1.00 0.00 H new ATOM 1018 N ASN A 69 7.675 7.503 6.836 1.00 0.00 N ATOM 1019 CA ASN A 69 8.934 7.854 6.200 1.00 0.00 C ATOM 1020 C ASN A 69 9.939 8.281 7.271 1.00 0.00 C ATOM 1021 O ASN A 69 10.815 7.505 7.650 1.00 0.00 O ATOM 1022 CB ASN A 69 8.753 9.021 5.228 1.00 0.00 C ATOM 1023 CG ASN A 69 10.106 9.537 4.733 1.00 0.00 C ATOM 1024 OD1 ASN A 69 11.072 8.802 4.611 1.00 0.00 O ATOM 1025 ND2 ASN A 69 10.120 10.837 4.455 1.00 0.00 N ATOM 0 H ASN A 69 7.388 6.533 6.708 1.00 0.00 H new ATOM 0 HA ASN A 69 9.291 6.982 5.653 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.149 8.701 4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.210 9.828 5.720 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.976 11.277 4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.275 11.394 4.580 1.00 0.00 H new ATOM 1032 N GLY A 70 9.780 9.515 7.728 1.00 0.00 N ATOM 1033 CA GLY A 70 10.664 10.055 8.747 1.00 0.00 C ATOM 1034 C GLY A 70 11.393 11.300 8.237 1.00 0.00 C ATOM 1035 O GLY A 70 11.114 11.781 7.140 1.00 0.00 O ATOM 0 H GLY A 70 9.052 10.156 7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.088 10.306 9.638 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.391 9.298 9.041 1.00 0.00 H new ATOM 1135 N ARG B 8 7.808 15.015 -9.066 1.00 0.00 N ATOM 1136 CA ARG B 8 6.859 15.605 -8.137 1.00 0.00 C ATOM 1137 C ARG B 8 6.035 14.512 -7.454 1.00 0.00 C ATOM 1138 O ARG B 8 6.544 13.426 -7.180 1.00 0.00 O ATOM 1139 CB ARG B 8 5.915 16.572 -8.855 1.00 0.00 C ATOM 1140 CG ARG B 8 6.677 17.440 -9.858 1.00 0.00 C ATOM 1141 CD ARG B 8 6.282 18.912 -9.721 1.00 0.00 C ATOM 1142 NE ARG B 8 5.398 19.305 -10.841 1.00 0.00 N ATOM 1143 CZ ARG B 8 4.651 20.417 -10.854 1.00 0.00 C ATOM 1144 NH1 ARG B 8 4.676 21.253 -9.808 1.00 0.00 N ATOM 1145 NH2 ARG B 8 3.878 20.693 -11.914 1.00 0.00 N ATOM 0 HA ARG B 8 7.427 16.157 -7.389 1.00 0.00 H new ATOM 0 HB2 ARG B 8 5.138 16.010 -9.372 1.00 0.00 H new ATOM 0 HB3 ARG B 8 5.416 17.208 -8.124 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.750 17.331 -9.697 1.00 0.00 H new ATOM 0 HG3 ARG B 8 6.470 17.097 -10.872 1.00 0.00 H new ATOM 0 HD2 ARG B 8 5.773 19.074 -8.771 1.00 0.00 H new ATOM 0 HD3 ARG B 8 7.175 19.538 -9.715 1.00 0.00 H new ATOM 0 HE ARG B 8 5.355 18.691 -11.654 1.00 0.00 H new ATOM 0 HH11 ARG B 8 5.264 21.043 -9.001 1.00 0.00 H new ATOM 0 HH12 ARG B 8 4.107 22.100 -9.818 1.00 0.00 H new ATOM 0 HH21 ARG B 8 3.859 20.056 -12.711 1.00 0.00 H new ATOM 0 HH22 ARG B 8 3.309 21.540 -11.924 1.00 0.00 H new ATOM 1159 N CYS B 9 4.776 14.836 -7.198 1.00 0.00 N ATOM 1160 CA CYS B 9 3.877 13.895 -6.552 1.00 0.00 C ATOM 1161 C CYS B 9 3.049 13.201 -7.635 1.00 0.00 C ATOM 1162 O CYS B 9 2.637 13.832 -8.607 1.00 0.00 O ATOM 1163 CB CYS B 9 2.992 14.583 -5.510 1.00 0.00 C ATOM 1164 SG CYS B 9 3.897 15.596 -4.284 1.00 0.00 S ATOM 0 H CYS B 9 4.357 15.738 -7.426 1.00 0.00 H new ATOM 0 HA CYS B 9 4.456 13.150 -6.006 1.00 0.00 H new ATOM 0 HB2 CYS B 9 2.274 15.219 -6.027 1.00 0.00 H new ATOM 0 HB3 CYS B 9 2.420 13.822 -4.980 1.00 0.00 H new ATOM 1169 N GLN B 10 2.830 11.910 -7.431 1.00 0.00 N ATOM 1170 CA GLN B 10 2.059 11.123 -8.378 1.00 0.00 C ATOM 1171 C GLN B 10 0.568 11.437 -8.239 1.00 0.00 C ATOM 1172 O GLN B 10 -0.247 10.958 -9.026 1.00 0.00 O ATOM 1173 CB GLN B 10 2.324 9.628 -8.192 1.00 0.00 C ATOM 1174 CG GLN B 10 2.046 8.857 -9.484 1.00 0.00 C ATOM 1175 CD GLN B 10 1.214 7.603 -9.207 1.00 0.00 C ATOM 1176 OE1 GLN B 10 0.165 7.381 -9.789 1.00 0.00 O ATOM 1177 NE2 GLN B 10 1.738 6.798 -8.287 1.00 0.00 N ATOM 0 H GLN B 10 3.173 11.390 -6.624 1.00 0.00 H new ATOM 0 HA GLN B 10 2.375 11.392 -9.386 1.00 0.00 H new ATOM 0 HB2 GLN B 10 3.359 9.474 -7.888 1.00 0.00 H new ATOM 0 HB3 GLN B 10 1.695 9.240 -7.391 1.00 0.00 H new ATOM 0 HG2 GLN B 10 1.518 9.500 -10.189 1.00 0.00 H new ATOM 0 HG3 GLN B 10 2.989 8.576 -9.954 1.00 0.00 H new ATOM 0 HE21 GLN B 10 2.620 7.043 -7.838 1.00 0.00 H new ATOM 0 HE22 GLN B 10 1.258 5.935 -8.031 1.00 0.00 H new ATOM 1186 N CYS B 11 0.257 12.241 -7.233 1.00 0.00 N ATOM 1187 CA CYS B 11 -1.122 12.625 -6.981 1.00 0.00 C ATOM 1188 C CYS B 11 -1.134 14.070 -6.476 1.00 0.00 C ATOM 1189 O CYS B 11 -0.331 14.438 -5.620 1.00 0.00 O ATOM 1190 CB CYS B 11 -1.804 11.672 -5.999 1.00 0.00 C ATOM 1191 SG CYS B 11 -3.375 10.948 -6.597 1.00 0.00 S ATOM 0 H CYS B 11 0.936 12.637 -6.583 1.00 0.00 H new ATOM 0 HA CYS B 11 -1.695 12.560 -7.906 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.114 10.862 -5.762 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -1.998 12.208 -5.070 1.00 0.00 H new ATOM 1196 N LEU B 12 -2.052 14.848 -7.028 1.00 0.00 N ATOM 1197 CA LEU B 12 -2.179 16.244 -6.644 1.00 0.00 C ATOM 1198 C LEU B 12 -3.371 16.402 -5.699 1.00 0.00 C ATOM 1199 O LEU B 12 -3.509 17.427 -5.033 1.00 0.00 O ATOM 1200 CB LEU B 12 -2.256 17.136 -7.885 1.00 0.00 C ATOM 1201 CG LEU B 12 -1.293 16.788 -9.022 1.00 0.00 C ATOM 1202 CD1 LEU B 12 -1.892 17.159 -10.380 1.00 0.00 C ATOM 1203 CD2 LEU B 12 0.074 17.437 -8.802 1.00 0.00 C ATOM 0 H LEU B 12 -2.716 14.539 -7.738 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.294 16.571 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -3.274 17.098 -8.273 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.070 18.166 -7.580 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.140 15.709 -9.021 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.188 16.901 -11.171 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -2.822 16.611 -10.530 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.094 18.230 -10.408 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.739 17.173 -9.625 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.040 18.520 -8.761 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.499 17.081 -7.864 1.00 0.00 H new ATOM 1215 N GLN B 13 -4.204 15.372 -5.670 1.00 0.00 N ATOM 1216 CA GLN B 13 -5.380 15.383 -4.817 1.00 0.00 C ATOM 1217 C GLN B 13 -5.521 14.045 -4.088 1.00 0.00 C ATOM 1218 O GLN B 13 -4.837 13.078 -4.421 1.00 0.00 O ATOM 1219 CB GLN B 13 -6.639 15.704 -5.624 1.00 0.00 C ATOM 1220 CG GLN B 13 -7.779 16.153 -4.707 1.00 0.00 C ATOM 1221 CD GLN B 13 -8.673 17.179 -5.406 1.00 0.00 C ATOM 1222 OE1 GLN B 13 -8.376 18.360 -5.469 1.00 0.00 O ATOM 1223 NE2 GLN B 13 -9.783 16.663 -5.927 1.00 0.00 N ATOM 0 H GLN B 13 -4.087 14.524 -6.224 1.00 0.00 H new ATOM 0 HA GLN B 13 -5.256 16.168 -4.071 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -6.420 16.488 -6.349 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -6.947 14.824 -6.189 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -8.374 15.289 -4.411 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -7.368 16.585 -3.795 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -9.971 15.664 -5.839 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -10.446 17.266 -6.415 1.00 0.00 H new ATOM 1232 N THR B 14 -6.412 14.032 -3.108 1.00 0.00 N ATOM 1233 CA THR B 14 -6.651 12.828 -2.330 1.00 0.00 C ATOM 1234 C THR B 14 -8.078 12.825 -1.779 1.00 0.00 C ATOM 1235 O THR B 14 -8.753 13.854 -1.784 1.00 0.00 O ATOM 1236 CB THR B 14 -5.579 12.747 -1.242 1.00 0.00 C ATOM 1237 OG1 THR B 14 -5.333 14.107 -0.896 1.00 0.00 O ATOM 1238 CG2 THR B 14 -4.236 12.250 -1.780 1.00 0.00 C ATOM 0 H THR B 14 -6.977 14.836 -2.835 1.00 0.00 H new ATOM 0 HA THR B 14 -6.573 11.934 -2.949 1.00 0.00 H new ATOM 0 HB THR B 14 -5.918 12.084 -0.446 1.00 0.00 H new ATOM 0 HG1 THR B 14 -4.650 14.148 -0.194 1.00 0.00 H new ATOM 0 HG21 THR B 14 -3.510 12.211 -0.967 1.00 0.00 H new ATOM 0 HG22 THR B 14 -4.360 11.253 -2.204 1.00 0.00 H new ATOM 0 HG23 THR B 14 -3.879 12.931 -2.553 1.00 0.00 H new ATOM 1246 N LEU B 15 -8.497 11.656 -1.315 1.00 0.00 N ATOM 1247 CA LEU B 15 -9.831 11.505 -0.761 1.00 0.00 C ATOM 1248 C LEU B 15 -9.743 11.460 0.766 1.00 0.00 C ATOM 1249 O LEU B 15 -8.649 11.486 1.329 1.00 0.00 O ATOM 1250 CB LEU B 15 -10.531 10.290 -1.372 1.00 0.00 C ATOM 1251 CG LEU B 15 -10.779 10.347 -2.881 1.00 0.00 C ATOM 1252 CD1 LEU B 15 -10.855 8.940 -3.478 1.00 0.00 C ATOM 1253 CD2 LEU B 15 -12.027 11.173 -3.200 1.00 0.00 C ATOM 0 H LEU B 15 -7.935 10.805 -1.312 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.450 12.364 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.934 9.404 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.490 10.158 -0.871 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.932 10.849 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -11.032 9.009 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.916 8.417 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -11.672 8.390 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -12.181 11.198 -4.279 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -12.895 10.721 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -11.895 12.189 -2.829 1.00 0.00 H new ATOM 1265 N GLN B 16 -10.908 11.394 1.393 1.00 0.00 N ATOM 1266 CA GLN B 16 -10.976 11.346 2.844 1.00 0.00 C ATOM 1267 C GLN B 16 -11.059 9.895 3.323 1.00 0.00 C ATOM 1268 O GLN B 16 -10.921 9.622 4.514 1.00 0.00 O ATOM 1269 CB GLN B 16 -12.159 12.164 3.365 1.00 0.00 C ATOM 1270 CG GLN B 16 -12.520 11.756 4.794 1.00 0.00 C ATOM 1271 CD GLN B 16 -13.450 10.540 4.799 1.00 0.00 C ATOM 1272 OE1 GLN B 16 -14.390 10.442 4.027 1.00 0.00 O ATOM 1273 NE2 GLN B 16 -13.137 9.623 5.710 1.00 0.00 N ATOM 0 H GLN B 16 -11.813 11.373 0.923 1.00 0.00 H new ATOM 0 HA GLN B 16 -10.065 11.790 3.246 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -11.912 13.225 3.337 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.021 12.020 2.713 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -11.612 11.526 5.351 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -13.003 12.590 5.303 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -12.336 9.768 6.325 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -13.698 8.775 5.793 1.00 0.00 H new ATOM 1282 N GLY B 17 -11.283 9.002 2.370 1.00 0.00 N ATOM 1283 CA GLY B 17 -11.385 7.586 2.680 1.00 0.00 C ATOM 1284 C GLY B 17 -12.686 6.997 2.129 1.00 0.00 C ATOM 1285 O GLY B 17 -13.730 7.078 2.774 1.00 0.00 O ATOM 0 H GLY B 17 -11.397 9.232 1.383 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -10.533 7.055 2.256 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -11.345 7.443 3.760 1.00 0.00 H new ATOM 1289 N ILE B 18 -12.579 6.419 0.942 1.00 0.00 N ATOM 1290 CA ILE B 18 -13.734 5.816 0.297 1.00 0.00 C ATOM 1291 C ILE B 18 -14.020 4.457 0.939 1.00 0.00 C ATOM 1292 O ILE B 18 -13.166 3.899 1.626 1.00 0.00 O ATOM 1293 CB ILE B 18 -13.528 5.750 -1.218 1.00 0.00 C ATOM 1294 CG1 ILE B 18 -13.895 7.080 -1.880 1.00 0.00 C ATOM 1295 CG2 ILE B 18 -14.297 4.575 -1.825 1.00 0.00 C ATOM 1296 CD1 ILE B 18 -13.647 7.028 -3.389 1.00 0.00 C ATOM 0 H ILE B 18 -11.711 6.355 0.410 1.00 0.00 H new ATOM 0 HA ILE B 18 -14.620 6.433 0.448 1.00 0.00 H new ATOM 0 HB ILE B 18 -12.470 5.576 -1.412 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -14.943 7.309 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -13.307 7.885 -1.439 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -14.134 4.551 -2.902 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -13.945 3.643 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -15.361 4.693 -1.622 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -13.916 7.985 -3.835 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -12.593 6.823 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -14.255 6.238 -3.831 1.00 0.00 H new ATOM 1308 N HIS B 19 -15.224 3.963 0.691 1.00 0.00 N ATOM 1309 CA HIS B 19 -15.633 2.680 1.236 1.00 0.00 C ATOM 1310 C HIS B 19 -14.579 1.622 0.903 1.00 0.00 C ATOM 1311 O HIS B 19 -14.093 1.558 -0.225 1.00 0.00 O ATOM 1312 CB HIS B 19 -17.031 2.301 0.743 1.00 0.00 C ATOM 1313 CG HIS B 19 -17.925 1.726 1.815 1.00 0.00 C ATOM 1314 ND1 HIS B 19 -19.180 2.237 2.098 1.00 0.00 N ATOM 1315 CD2 HIS B 19 -17.735 0.679 2.668 1.00 0.00 C ATOM 1316 CE1 HIS B 19 -19.711 1.523 3.080 1.00 0.00 C ATOM 1317 NE2 HIS B 19 -18.813 0.558 3.432 1.00 0.00 N ATOM 0 H HIS B 19 -15.929 4.428 0.120 1.00 0.00 H new ATOM 0 HA HIS B 19 -15.700 2.746 2.322 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -17.509 3.186 0.322 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -16.936 1.575 -0.064 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -16.856 0.054 2.714 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -20.683 1.678 3.524 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -18.948 -0.141 4.162 1.00 0.00 H new ATOM 1325 N LEU B 20 -14.258 0.817 1.905 1.00 0.00 N ATOM 1326 CA LEU B 20 -13.271 -0.236 1.733 1.00 0.00 C ATOM 1327 C LEU B 20 -13.926 -1.437 1.049 1.00 0.00 C ATOM 1328 O LEU B 20 -13.288 -2.470 0.855 1.00 0.00 O ATOM 1329 CB LEU B 20 -12.611 -0.575 3.071 1.00 0.00 C ATOM 1330 CG LEU B 20 -11.436 -1.554 3.010 1.00 0.00 C ATOM 1331 CD1 LEU B 20 -10.319 -1.014 2.115 1.00 0.00 C ATOM 1332 CD2 LEU B 20 -10.932 -1.894 4.414 1.00 0.00 C ATOM 0 H LEU B 20 -14.664 0.873 2.839 1.00 0.00 H new ATOM 0 HA LEU B 20 -12.464 0.101 1.082 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -12.263 0.352 3.527 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -13.370 -0.990 3.733 1.00 0.00 H new ATOM 0 HG LEU B 20 -11.788 -2.483 2.561 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -9.496 -1.728 2.089 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -10.702 -0.864 1.106 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -9.962 -0.064 2.512 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -10.097 -2.591 4.342 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -10.602 -0.983 4.913 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -11.738 -2.351 4.989 1.00 0.00 H new ATOM 1344 N LYS B 21 -15.193 -1.260 0.701 1.00 0.00 N ATOM 1345 CA LYS B 21 -15.942 -2.317 0.042 1.00 0.00 C ATOM 1346 C LYS B 21 -15.717 -2.229 -1.469 1.00 0.00 C ATOM 1347 O LYS B 21 -16.195 -3.077 -2.222 1.00 0.00 O ATOM 1348 CB LYS B 21 -17.415 -2.263 0.449 1.00 0.00 C ATOM 1349 CG LYS B 21 -17.617 -2.827 1.857 1.00 0.00 C ATOM 1350 CD LYS B 21 -17.757 -4.351 1.822 1.00 0.00 C ATOM 1351 CE LYS B 21 -17.294 -4.974 3.140 1.00 0.00 C ATOM 1352 NZ LYS B 21 -18.455 -5.449 3.925 1.00 0.00 N ATOM 0 H LYS B 21 -15.719 -0.401 0.863 1.00 0.00 H new ATOM 0 HA LYS B 21 -15.583 -3.295 0.362 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.768 -1.233 0.412 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -18.014 -2.831 -0.263 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -16.773 -2.550 2.488 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -18.508 -2.386 2.305 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -18.796 -4.620 1.634 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -17.169 -4.755 0.998 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -16.619 -5.806 2.939 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -16.732 -4.240 3.718 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -18.123 -5.869 4.817 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -19.085 -4.648 4.133 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -18.975 -6.165 3.378 1.00 0.00 H new ATOM 1366 N ASN B 22 -14.991 -1.195 -1.868 1.00 0.00 N ATOM 1367 CA ASN B 22 -14.697 -0.986 -3.276 1.00 0.00 C ATOM 1368 C ASN B 22 -13.198 -1.179 -3.514 1.00 0.00 C ATOM 1369 O ASN B 22 -12.798 -1.837 -4.473 1.00 0.00 O ATOM 1370 CB ASN B 22 -15.066 0.434 -3.710 1.00 0.00 C ATOM 1371 CG ASN B 22 -16.276 0.424 -4.646 1.00 0.00 C ATOM 1372 OD1 ASN B 22 -16.340 -0.317 -5.612 1.00 0.00 O ATOM 1373 ND2 ASN B 22 -17.230 1.287 -4.306 1.00 0.00 N ATOM 0 H ASN B 22 -14.598 -0.493 -1.241 1.00 0.00 H new ATOM 0 HA ASN B 22 -15.281 -1.703 -3.853 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -15.286 1.041 -2.832 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -14.217 0.897 -4.213 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -18.079 1.357 -4.868 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -17.113 1.879 -3.484 1.00 0.00 H new ATOM 1380 N ILE B 23 -12.410 -0.592 -2.625 1.00 0.00 N ATOM 1381 CA ILE B 23 -10.964 -0.691 -2.727 1.00 0.00 C ATOM 1382 C ILE B 23 -10.564 -2.165 -2.825 1.00 0.00 C ATOM 1383 O ILE B 23 -11.076 -3.002 -2.083 1.00 0.00 O ATOM 1384 CB ILE B 23 -10.293 0.053 -1.571 1.00 0.00 C ATOM 1385 CG1 ILE B 23 -10.008 1.508 -1.947 1.00 0.00 C ATOM 1386 CG2 ILE B 23 -9.031 -0.677 -1.108 1.00 0.00 C ATOM 1387 CD1 ILE B 23 -10.465 2.460 -0.840 1.00 0.00 C ATOM 0 H ILE B 23 -12.745 -0.046 -1.831 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.612 -0.203 -3.636 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.984 0.068 -0.728 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.941 1.639 -2.126 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -10.520 1.754 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.574 -0.127 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -9.294 -1.680 -0.772 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -8.325 -0.745 -1.936 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -10.251 3.488 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -11.537 2.344 -0.680 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -9.933 2.227 0.083 1.00 0.00 H new ATOM 1399 N GLN B 24 -9.651 -2.438 -3.746 1.00 0.00 N ATOM 1400 CA GLN B 24 -9.177 -3.796 -3.950 1.00 0.00 C ATOM 1401 C GLN B 24 -7.693 -3.899 -3.590 1.00 0.00 C ATOM 1402 O GLN B 24 -7.210 -4.974 -3.237 1.00 0.00 O ATOM 1403 CB GLN B 24 -9.424 -4.252 -5.389 1.00 0.00 C ATOM 1404 CG GLN B 24 -9.777 -5.740 -5.439 1.00 0.00 C ATOM 1405 CD GLN B 24 -8.666 -6.545 -6.116 1.00 0.00 C ATOM 1406 OE1 GLN B 24 -8.844 -7.135 -7.169 1.00 0.00 O ATOM 1407 NE2 GLN B 24 -7.512 -6.536 -5.455 1.00 0.00 N ATOM 0 H GLN B 24 -9.227 -1.742 -4.359 1.00 0.00 H new ATOM 0 HA GLN B 24 -9.738 -4.459 -3.292 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -10.234 -3.667 -5.826 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -8.535 -4.065 -5.991 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -9.937 -6.114 -4.428 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -10.713 -5.877 -5.981 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -7.431 -6.021 -4.578 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -6.708 -7.044 -5.825 1.00 0.00 H new ATOM 1416 N SER B 25 -7.012 -2.767 -3.692 1.00 0.00 N ATOM 1417 CA SER B 25 -5.593 -2.717 -3.381 1.00 0.00 C ATOM 1418 C SER B 25 -5.219 -1.324 -2.870 1.00 0.00 C ATOM 1419 O SER B 25 -5.932 -0.354 -3.121 1.00 0.00 O ATOM 1420 CB SER B 25 -4.748 -3.079 -4.604 1.00 0.00 C ATOM 1421 OG SER B 25 -5.555 -3.434 -5.724 1.00 0.00 O ATOM 0 H SER B 25 -7.416 -1.878 -3.985 1.00 0.00 H new ATOM 0 HA SER B 25 -5.387 -3.451 -2.602 1.00 0.00 H new ATOM 0 HB2 SER B 25 -4.112 -2.234 -4.868 1.00 0.00 H new ATOM 0 HB3 SER B 25 -4.087 -3.909 -4.355 1.00 0.00 H new ATOM 0 HG SER B 25 -4.979 -3.657 -6.485 1.00 0.00 H new ATOM 1427 N VAL B 26 -4.100 -1.270 -2.163 1.00 0.00 N ATOM 1428 CA VAL B 26 -3.622 -0.012 -1.614 1.00 0.00 C ATOM 1429 C VAL B 26 -2.124 0.126 -1.896 1.00 0.00 C ATOM 1430 O VAL B 26 -1.378 -0.847 -1.797 1.00 0.00 O ATOM 1431 CB VAL B 26 -3.960 0.072 -0.124 1.00 0.00 C ATOM 1432 CG1 VAL B 26 -3.209 1.225 0.544 1.00 0.00 C ATOM 1433 CG2 VAL B 26 -5.469 0.203 0.089 1.00 0.00 C ATOM 0 H VAL B 26 -3.510 -2.077 -1.958 1.00 0.00 H new ATOM 0 HA VAL B 26 -4.123 0.829 -2.094 1.00 0.00 H new ATOM 0 HB VAL B 26 -3.635 -0.856 0.347 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -3.467 1.263 1.602 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -2.135 1.070 0.438 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -3.489 2.165 0.069 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -5.682 0.261 1.156 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.829 1.107 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.973 -0.665 -0.335 1.00 0.00 H new ATOM 1443 N LYS B 27 -1.729 1.342 -2.243 1.00 0.00 N ATOM 1444 CA LYS B 27 -0.334 1.620 -2.540 1.00 0.00 C ATOM 1445 C LYS B 27 0.083 2.915 -1.841 1.00 0.00 C ATOM 1446 O LYS B 27 -0.568 3.947 -1.997 1.00 0.00 O ATOM 1447 CB LYS B 27 -0.101 1.635 -4.052 1.00 0.00 C ATOM 1448 CG LYS B 27 1.392 1.560 -4.377 1.00 0.00 C ATOM 1449 CD LYS B 27 2.073 2.909 -4.142 1.00 0.00 C ATOM 1450 CE LYS B 27 2.735 3.420 -5.423 1.00 0.00 C ATOM 1451 NZ LYS B 27 4.174 3.075 -5.437 1.00 0.00 N ATOM 0 H LYS B 27 -2.351 2.146 -2.325 1.00 0.00 H new ATOM 0 HA LYS B 27 0.304 0.827 -2.150 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -0.620 0.794 -4.512 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -0.525 2.543 -4.480 1.00 0.00 H new ATOM 0 HG2 LYS B 27 1.865 0.797 -3.758 1.00 0.00 H new ATOM 0 HG3 LYS B 27 1.527 1.257 -5.415 1.00 0.00 H new ATOM 0 HD2 LYS B 27 1.339 3.635 -3.793 1.00 0.00 H new ATOM 0 HD3 LYS B 27 2.822 2.810 -3.356 1.00 0.00 H new ATOM 0 HE2 LYS B 27 2.242 2.985 -6.292 1.00 0.00 H new ATOM 0 HE3 LYS B 27 2.614 4.501 -5.496 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 4.527 3.097 -6.415 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 4.702 3.764 -4.863 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 4.306 2.122 -5.042 1.00 0.00 H new ATOM 1465 N VAL B 28 1.167 2.819 -1.085 1.00 0.00 N ATOM 1466 CA VAL B 28 1.680 3.971 -0.361 1.00 0.00 C ATOM 1467 C VAL B 28 2.984 4.436 -1.010 1.00 0.00 C ATOM 1468 O VAL B 28 3.984 3.720 -0.986 1.00 0.00 O ATOM 1469 CB VAL B 28 1.839 3.628 1.122 1.00 0.00 C ATOM 1470 CG1 VAL B 28 2.909 4.505 1.775 1.00 0.00 C ATOM 1471 CG2 VAL B 28 0.504 3.751 1.859 1.00 0.00 C ATOM 0 H VAL B 28 1.705 1.962 -0.958 1.00 0.00 H new ATOM 0 HA VAL B 28 0.976 4.801 -0.415 1.00 0.00 H new ATOM 0 HB VAL B 28 2.166 2.591 1.193 1.00 0.00 H new ATOM 0 HG11 VAL B 28 3.002 4.241 2.828 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.864 4.346 1.275 1.00 0.00 H new ATOM 0 HG13 VAL B 28 2.624 5.553 1.687 1.00 0.00 H new ATOM 0 HG21 VAL B 28 0.645 3.502 2.911 1.00 0.00 H new ATOM 0 HG22 VAL B 28 0.135 4.773 1.774 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.220 3.066 1.418 1.00 0.00 H new ATOM 1481 N LYS B 29 2.932 5.633 -1.576 1.00 0.00 N ATOM 1482 CA LYS B 29 4.097 6.203 -2.231 1.00 0.00 C ATOM 1483 C LYS B 29 4.649 7.347 -1.377 1.00 0.00 C ATOM 1484 O LYS B 29 4.296 8.507 -1.585 1.00 0.00 O ATOM 1485 CB LYS B 29 3.758 6.615 -3.665 1.00 0.00 C ATOM 1486 CG LYS B 29 4.893 7.434 -4.283 1.00 0.00 C ATOM 1487 CD LYS B 29 6.053 6.531 -4.707 1.00 0.00 C ATOM 1488 CE LYS B 29 5.707 5.752 -5.977 1.00 0.00 C ATOM 1489 NZ LYS B 29 6.110 6.514 -7.179 1.00 0.00 N ATOM 0 H LYS B 29 2.101 6.224 -1.594 1.00 0.00 H new ATOM 0 HA LYS B 29 4.888 5.458 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.575 5.726 -4.269 1.00 0.00 H new ATOM 0 HB3 LYS B 29 2.838 7.199 -3.671 1.00 0.00 H new ATOM 0 HG2 LYS B 29 4.521 7.984 -5.147 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.247 8.173 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.944 7.135 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.289 5.835 -3.902 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.211 4.785 -5.966 1.00 0.00 H new ATOM 0 HE3 LYS B 29 4.636 5.553 -6.008 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 5.868 5.971 -8.032 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 5.610 7.426 -7.196 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 7.136 6.682 -7.156 1.00 0.00 H new ATOM 1503 N SER B 30 5.505 6.979 -0.435 1.00 0.00 N ATOM 1504 CA SER B 30 6.108 7.960 0.451 1.00 0.00 C ATOM 1505 C SER B 30 6.792 9.056 -0.369 1.00 0.00 C ATOM 1506 O SER B 30 6.906 8.943 -1.588 1.00 0.00 O ATOM 1507 CB SER B 30 7.113 7.302 1.399 1.00 0.00 C ATOM 1508 OG SER B 30 6.803 7.557 2.766 1.00 0.00 O ATOM 0 H SER B 30 5.795 6.016 -0.266 1.00 0.00 H new ATOM 0 HA SER B 30 5.318 8.406 1.055 1.00 0.00 H new ATOM 0 HB2 SER B 30 7.125 6.226 1.225 1.00 0.00 H new ATOM 0 HB3 SER B 30 8.115 7.672 1.179 1.00 0.00 H new ATOM 0 HG SER B 30 6.378 6.766 3.158 1.00 0.00 H new ATOM 1514 N PRO B 31 7.241 10.118 0.352 1.00 0.00 N ATOM 1515 CA PRO B 31 7.911 11.233 -0.296 1.00 0.00 C ATOM 1516 C PRO B 31 9.339 10.857 -0.696 1.00 0.00 C ATOM 1517 O PRO B 31 9.742 9.703 -0.559 1.00 0.00 O ATOM 1518 CB PRO B 31 7.856 12.366 0.716 1.00 0.00 C ATOM 1519 CG PRO B 31 7.576 11.712 2.059 1.00 0.00 C ATOM 1520 CD PRO B 31 7.124 10.285 1.798 1.00 0.00 C ATOM 0 HA PRO B 31 7.432 11.527 -1.230 1.00 0.00 H new ATOM 0 HB2 PRO B 31 8.797 12.916 0.738 1.00 0.00 H new ATOM 0 HB3 PRO B 31 7.075 13.081 0.459 1.00 0.00 H new ATOM 0 HG2 PRO B 31 8.471 11.721 2.682 1.00 0.00 H new ATOM 0 HG3 PRO B 31 6.806 12.263 2.599 1.00 0.00 H new ATOM 0 HD2 PRO B 31 7.748 9.568 2.331 1.00 0.00 H new ATOM 0 HD3 PRO B 31 6.099 10.127 2.133 1.00 0.00 H new ATOM 1528 N GLY B 32 10.064 11.853 -1.184 1.00 0.00 N ATOM 1529 CA GLY B 32 11.438 11.641 -1.605 1.00 0.00 C ATOM 1530 C GLY B 32 12.128 12.972 -1.913 1.00 0.00 C ATOM 1531 O GLY B 32 11.694 14.023 -1.446 1.00 0.00 O ATOM 0 H GLY B 32 9.726 12.809 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY B 32 11.985 11.116 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY B 32 11.457 11.004 -2.489 1.00 0.00 H new ATOM 1535 N PRO B 33 13.220 12.880 -2.718 1.00 0.00 N ATOM 1536 CA PRO B 33 13.975 14.063 -3.094 1.00 0.00 C ATOM 1537 C PRO B 33 13.224 14.880 -4.148 1.00 0.00 C ATOM 1538 O PRO B 33 13.717 15.909 -4.608 1.00 0.00 O ATOM 1539 CB PRO B 33 15.311 13.537 -3.592 1.00 0.00 C ATOM 1540 CG PRO B 33 15.086 12.068 -3.914 1.00 0.00 C ATOM 1541 CD PRO B 33 13.764 11.651 -3.290 1.00 0.00 C ATOM 0 HA PRO B 33 14.119 14.752 -2.261 1.00 0.00 H new ATOM 0 HB2 PRO B 33 15.642 14.084 -4.475 1.00 0.00 H new ATOM 0 HB3 PRO B 33 16.085 13.657 -2.834 1.00 0.00 H new ATOM 0 HG2 PRO B 33 15.065 11.913 -4.993 1.00 0.00 H new ATOM 0 HG3 PRO B 33 15.902 11.462 -3.521 1.00 0.00 H new ATOM 0 HD2 PRO B 33 13.090 11.229 -4.035 1.00 0.00 H new ATOM 0 HD3 PRO B 33 13.910 10.889 -2.525 1.00 0.00 H new ATOM 1549 N HIS B 34 12.043 14.392 -4.499 1.00 0.00 N ATOM 1550 CA HIS B 34 11.220 15.064 -5.489 1.00 0.00 C ATOM 1551 C HIS B 34 9.948 15.594 -4.825 1.00 0.00 C ATOM 1552 O HIS B 34 9.661 16.788 -4.889 1.00 0.00 O ATOM 1553 CB HIS B 34 10.929 14.138 -6.672 1.00 0.00 C ATOM 1554 CG HIS B 34 10.802 12.681 -6.296 1.00 0.00 C ATOM 1555 ND1 HIS B 34 11.861 11.939 -5.803 1.00 0.00 N ATOM 1556 CD2 HIS B 34 9.730 11.839 -6.343 1.00 0.00 C ATOM 1557 CE1 HIS B 34 11.435 10.706 -5.570 1.00 0.00 C ATOM 1558 NE2 HIS B 34 10.115 10.646 -5.905 1.00 0.00 N ATOM 0 H HIS B 34 11.637 13.539 -4.115 1.00 0.00 H new ATOM 0 HA HIS B 34 11.760 15.919 -5.895 1.00 0.00 H new ATOM 0 HB2 HIS B 34 10.006 14.460 -7.153 1.00 0.00 H new ATOM 0 HB3 HIS B 34 11.726 14.244 -7.408 1.00 0.00 H new ATOM 0 HD2 HIS B 34 8.737 12.098 -6.679 1.00 0.00 H new ATOM 0 HE1 HIS B 34 12.029 9.892 -5.183 1.00 0.00 H new ATOM 0 HE2 HIS B 34 9.521 9.820 -5.831 1.00 0.00 H new ATOM 1566 N CYS B 35 9.219 14.680 -4.201 1.00 0.00 N ATOM 1567 CA CYS B 35 7.985 15.040 -3.525 1.00 0.00 C ATOM 1568 C CYS B 35 8.177 14.820 -2.023 1.00 0.00 C ATOM 1569 O CYS B 35 8.438 13.700 -1.585 1.00 0.00 O ATOM 1570 CB CYS B 35 6.791 14.253 -4.069 1.00 0.00 C ATOM 1571 SG CYS B 35 5.194 14.618 -3.253 1.00 0.00 S ATOM 0 H CYS B 35 9.460 13.690 -4.150 1.00 0.00 H new ATOM 0 HA CYS B 35 7.759 16.090 -3.711 1.00 0.00 H new ATOM 0 HB2 CYS B 35 6.694 14.459 -5.135 1.00 0.00 H new ATOM 0 HB3 CYS B 35 6.999 13.188 -3.968 1.00 0.00 H new ATOM 1576 N ALA B 36 8.040 15.905 -1.275 1.00 0.00 N ATOM 1577 CA ALA B 36 8.196 15.844 0.168 1.00 0.00 C ATOM 1578 C ALA B 36 6.832 15.587 0.813 1.00 0.00 C ATOM 1579 O ALA B 36 6.618 15.927 1.976 1.00 0.00 O ATOM 1580 CB ALA B 36 8.843 17.138 0.667 1.00 0.00 C ATOM 0 H ALA B 36 7.823 16.832 -1.642 1.00 0.00 H new ATOM 0 HA ALA B 36 8.854 15.022 0.449 1.00 0.00 H new ATOM 0 HB1 ALA B 36 8.960 17.092 1.750 1.00 0.00 H new ATOM 0 HB2 ALA B 36 9.821 17.259 0.201 1.00 0.00 H new ATOM 0 HB3 ALA B 36 8.209 17.986 0.406 1.00 0.00 H new ATOM 1586 N GLN B 37 5.946 14.990 0.030 1.00 0.00 N ATOM 1587 CA GLN B 37 4.609 14.684 0.510 1.00 0.00 C ATOM 1588 C GLN B 37 4.268 13.219 0.231 1.00 0.00 C ATOM 1589 O GLN B 37 4.875 12.590 -0.634 1.00 0.00 O ATOM 1590 CB GLN B 37 3.573 15.618 -0.118 1.00 0.00 C ATOM 1591 CG GLN B 37 4.023 17.077 -0.024 1.00 0.00 C ATOM 1592 CD GLN B 37 3.598 17.863 -1.267 1.00 0.00 C ATOM 1593 OE1 GLN B 37 2.811 17.409 -2.081 1.00 0.00 O ATOM 1594 NE2 GLN B 37 4.160 19.064 -1.366 1.00 0.00 N ATOM 0 H GLN B 37 6.128 14.710 -0.934 1.00 0.00 H new ATOM 0 HA GLN B 37 4.586 14.843 1.588 1.00 0.00 H new ATOM 0 HB2 GLN B 37 3.420 15.347 -1.163 1.00 0.00 H new ATOM 0 HB3 GLN B 37 2.615 15.496 0.387 1.00 0.00 H new ATOM 0 HG2 GLN B 37 3.594 17.537 0.866 1.00 0.00 H new ATOM 0 HG3 GLN B 37 5.107 17.121 0.086 1.00 0.00 H new ATOM 0 HE21 GLN B 37 4.811 19.383 -0.649 1.00 0.00 H new ATOM 0 HE22 GLN B 37 3.940 19.666 -2.159 1.00 0.00 H new ATOM 1603 N THR B 38 3.297 12.718 0.981 1.00 0.00 N ATOM 1604 CA THR B 38 2.867 11.338 0.825 1.00 0.00 C ATOM 1605 C THR B 38 1.795 11.233 -0.261 1.00 0.00 C ATOM 1606 O THR B 38 1.158 12.227 -0.608 1.00 0.00 O ATOM 1607 CB THR B 38 2.401 10.831 2.190 1.00 0.00 C ATOM 1608 OG1 THR B 38 3.446 11.216 3.079 1.00 0.00 O ATOM 1609 CG2 THR B 38 2.384 9.303 2.274 1.00 0.00 C ATOM 0 H THR B 38 2.796 13.243 1.698 1.00 0.00 H new ATOM 0 HA THR B 38 3.687 10.704 0.490 1.00 0.00 H new ATOM 0 HB THR B 38 1.403 11.216 2.398 1.00 0.00 H new ATOM 0 HG1 THR B 38 3.224 10.927 3.989 1.00 0.00 H new ATOM 0 HG21 THR B 38 2.046 8.997 3.264 1.00 0.00 H new ATOM 0 HG22 THR B 38 1.706 8.905 1.519 1.00 0.00 H new ATOM 0 HG23 THR B 38 3.388 8.918 2.099 1.00 0.00 H new ATOM 1617 N GLU B 39 1.627 10.021 -0.768 1.00 0.00 N ATOM 1618 CA GLU B 39 0.643 9.773 -1.807 1.00 0.00 C ATOM 1619 C GLU B 39 0.063 8.364 -1.665 1.00 0.00 C ATOM 1620 O GLU B 39 0.609 7.406 -2.210 1.00 0.00 O ATOM 1621 CB GLU B 39 1.249 9.978 -3.197 1.00 0.00 C ATOM 1622 CG GLU B 39 0.770 11.294 -3.815 1.00 0.00 C ATOM 1623 CD GLU B 39 1.477 12.490 -3.174 1.00 0.00 C ATOM 1624 OE1 GLU B 39 2.716 12.407 -3.031 1.00 0.00 O ATOM 1625 OE2 GLU B 39 0.762 13.460 -2.842 1.00 0.00 O ATOM 0 H GLU B 39 2.157 9.199 -0.478 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.168 10.492 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU B 39 2.337 9.980 -3.127 1.00 0.00 H new ATOM 0 HB3 GLU B 39 0.973 9.146 -3.845 1.00 0.00 H new ATOM 0 HG2 GLU B 39 0.961 11.287 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.308 11.391 -3.683 1.00 0.00 H new ATOM 1632 N VAL B 40 -1.035 8.282 -0.929 1.00 0.00 N ATOM 1633 CA VAL B 40 -1.695 7.006 -0.708 1.00 0.00 C ATOM 1634 C VAL B 40 -2.677 6.740 -1.850 1.00 0.00 C ATOM 1635 O VAL B 40 -3.714 7.396 -1.947 1.00 0.00 O ATOM 1636 CB VAL B 40 -2.361 6.993 0.670 1.00 0.00 C ATOM 1637 CG1 VAL B 40 -3.263 5.768 0.831 1.00 0.00 C ATOM 1638 CG2 VAL B 40 -1.316 7.056 1.785 1.00 0.00 C ATOM 0 H VAL B 40 -1.485 9.078 -0.478 1.00 0.00 H new ATOM 0 HA VAL B 40 -0.968 6.194 -0.710 1.00 0.00 H new ATOM 0 HB VAL B 40 -2.987 7.882 0.748 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -3.724 5.783 1.819 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -4.041 5.786 0.067 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.668 4.861 0.722 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -1.816 7.045 2.753 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -0.652 6.195 1.710 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -0.734 7.973 1.687 1.00 0.00 H new ATOM 1648 N ILE B 41 -2.317 5.777 -2.685 1.00 0.00 N ATOM 1649 CA ILE B 41 -3.155 5.417 -3.817 1.00 0.00 C ATOM 1650 C ILE B 41 -3.830 4.072 -3.538 1.00 0.00 C ATOM 1651 O ILE B 41 -3.178 3.125 -3.100 1.00 0.00 O ATOM 1652 CB ILE B 41 -2.342 5.440 -5.113 1.00 0.00 C ATOM 1653 CG1 ILE B 41 -1.185 6.436 -5.017 1.00 0.00 C ATOM 1654 CG2 ILE B 41 -3.242 5.721 -6.319 1.00 0.00 C ATOM 1655 CD1 ILE B 41 -1.681 7.812 -4.569 1.00 0.00 C ATOM 0 H ILE B 41 -1.457 5.235 -2.601 1.00 0.00 H new ATOM 0 HA ILE B 41 -3.949 6.151 -3.953 1.00 0.00 H new ATOM 0 HB ILE B 41 -1.905 4.452 -5.260 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -0.440 6.067 -4.312 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -0.692 6.521 -5.986 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -2.640 5.732 -7.228 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -4.001 4.942 -6.396 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -3.727 6.689 -6.193 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -0.838 8.501 -4.509 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -2.407 8.189 -5.289 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -2.151 7.728 -3.589 1.00 0.00 H new ATOM 1667 N ALA B 42 -5.127 4.031 -3.804 1.00 0.00 N ATOM 1668 CA ALA B 42 -5.897 2.819 -3.587 1.00 0.00 C ATOM 1669 C ALA B 42 -6.529 2.377 -4.909 1.00 0.00 C ATOM 1670 O ALA B 42 -7.157 3.179 -5.599 1.00 0.00 O ATOM 1671 CB ALA B 42 -6.941 3.065 -2.496 1.00 0.00 C ATOM 0 H ALA B 42 -5.664 4.818 -4.168 1.00 0.00 H new ATOM 0 HA ALA B 42 -5.251 2.011 -3.244 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -7.519 2.155 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -6.440 3.347 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -7.609 3.868 -2.806 1.00 0.00 H new ATOM 1677 N THR B 43 -6.339 1.104 -5.223 1.00 0.00 N ATOM 1678 CA THR B 43 -6.883 0.547 -6.450 1.00 0.00 C ATOM 1679 C THR B 43 -8.318 0.066 -6.228 1.00 0.00 C ATOM 1680 O THR B 43 -8.624 -0.530 -5.196 1.00 0.00 O ATOM 1681 CB THR B 43 -5.938 -0.559 -6.925 1.00 0.00 C ATOM 1682 OG1 THR B 43 -4.750 0.135 -7.296 1.00 0.00 O ATOM 1683 CG2 THR B 43 -6.409 -1.212 -8.227 1.00 0.00 C ATOM 0 H THR B 43 -5.816 0.442 -4.649 1.00 0.00 H new ATOM 0 HA THR B 43 -6.945 1.302 -7.234 1.00 0.00 H new ATOM 0 HB THR B 43 -5.849 -1.319 -6.148 1.00 0.00 H new ATOM 0 HG1 THR B 43 -4.082 -0.507 -7.615 1.00 0.00 H new ATOM 0 HG21 THR B 43 -5.704 -1.989 -8.520 1.00 0.00 H new ATOM 0 HG22 THR B 43 -7.394 -1.654 -8.077 1.00 0.00 H new ATOM 0 HG23 THR B 43 -6.465 -0.458 -9.012 1.00 0.00 H new ATOM 1691 N LEU B 44 -9.160 0.343 -7.213 1.00 0.00 N ATOM 1692 CA LEU B 44 -10.556 -0.053 -7.138 1.00 0.00 C ATOM 1693 C LEU B 44 -10.709 -1.471 -7.692 1.00 0.00 C ATOM 1694 O LEU B 44 -9.963 -1.878 -8.581 1.00 0.00 O ATOM 1695 CB LEU B 44 -11.444 0.979 -7.835 1.00 0.00 C ATOM 1696 CG LEU B 44 -12.674 1.443 -7.053 1.00 0.00 C ATOM 1697 CD1 LEU B 44 -13.164 2.802 -7.556 1.00 0.00 C ATOM 1698 CD2 LEU B 44 -13.780 0.385 -7.093 1.00 0.00 C ATOM 0 H LEU B 44 -8.902 0.837 -8.067 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.890 -0.077 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.836 1.853 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.778 0.560 -8.784 1.00 0.00 H new ATOM 0 HG LEU B 44 -12.387 1.571 -6.009 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -14.039 3.108 -6.983 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -12.373 3.542 -7.434 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -13.429 2.726 -8.610 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -14.643 0.739 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -14.072 0.203 -8.127 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -13.414 -0.541 -6.651 1.00 0.00 H new ATOM 1710 N LYS B 45 -11.681 -2.185 -7.143 1.00 0.00 N ATOM 1711 CA LYS B 45 -11.941 -3.549 -7.571 1.00 0.00 C ATOM 1712 C LYS B 45 -12.602 -3.528 -8.951 1.00 0.00 C ATOM 1713 O LYS B 45 -12.839 -4.578 -9.546 1.00 0.00 O ATOM 1714 CB LYS B 45 -12.753 -4.297 -6.512 1.00 0.00 C ATOM 1715 CG LYS B 45 -12.934 -5.767 -6.897 1.00 0.00 C ATOM 1716 CD LYS B 45 -14.253 -5.980 -7.643 1.00 0.00 C ATOM 1717 CE LYS B 45 -15.254 -6.748 -6.777 1.00 0.00 C ATOM 1718 NZ LYS B 45 -15.893 -7.830 -7.560 1.00 0.00 N ATOM 0 H LYS B 45 -12.298 -1.844 -6.406 1.00 0.00 H new ATOM 0 HA LYS B 45 -11.007 -4.101 -7.672 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -12.250 -4.229 -5.548 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -13.729 -3.825 -6.396 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -12.102 -6.088 -7.524 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.915 -6.386 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -14.675 -5.016 -7.925 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -14.068 -6.529 -8.566 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -14.745 -7.170 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -16.016 -6.066 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -16.569 -8.341 -6.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -16.395 -7.420 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -15.164 -8.490 -7.900 1.00 0.00 H new ATOM 1732 N ASN B 46 -12.881 -2.321 -9.420 1.00 0.00 N ATOM 1733 CA ASN B 46 -13.510 -2.149 -10.719 1.00 0.00 C ATOM 1734 C ASN B 46 -12.444 -1.779 -11.752 1.00 0.00 C ATOM 1735 O ASN B 46 -12.727 -1.719 -12.948 1.00 0.00 O ATOM 1736 CB ASN B 46 -14.546 -1.024 -10.685 1.00 0.00 C ATOM 1737 CG ASN B 46 -14.488 -0.186 -11.964 1.00 0.00 C ATOM 1738 OD1 ASN B 46 -14.070 1.062 -11.774 1.00 0.00 O flip ATOM 1739 ND2 ASN B 46 -14.801 -0.643 -13.051 1.00 0.00 N flip ATOM 0 H ASN B 46 -12.683 -1.452 -8.924 1.00 0.00 H new ATOM 0 HA ASN B 46 -14.003 -3.085 -10.981 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -15.544 -1.447 -10.568 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -14.367 -0.386 -9.820 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -15.114 -1.611 -13.126 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -14.750 -0.057 -13.884 1.00 0.00 H new ATOM 1746 N GLY B 47 -11.240 -1.540 -11.253 1.00 0.00 N ATOM 1747 CA GLY B 47 -10.130 -1.178 -12.118 1.00 0.00 C ATOM 1748 C GLY B 47 -9.768 0.300 -11.956 1.00 0.00 C ATOM 1749 O GLY B 47 -8.758 0.758 -12.488 1.00 0.00 O ATOM 0 H GLY B 47 -11.009 -1.590 -10.261 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -9.264 -1.796 -11.882 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -10.393 -1.380 -13.156 1.00 0.00 H new ATOM 1753 N GLN B 48 -10.613 1.005 -11.218 1.00 0.00 N ATOM 1754 CA GLN B 48 -10.395 2.422 -10.978 1.00 0.00 C ATOM 1755 C GLN B 48 -9.403 2.619 -9.830 1.00 0.00 C ATOM 1756 O GLN B 48 -8.857 1.651 -9.303 1.00 0.00 O ATOM 1757 CB GLN B 48 -11.715 3.139 -10.691 1.00 0.00 C ATOM 1758 CG GLN B 48 -12.383 3.598 -11.989 1.00 0.00 C ATOM 1759 CD GLN B 48 -13.853 3.954 -11.754 1.00 0.00 C ATOM 1760 OE1 GLN B 48 -14.322 4.052 -10.632 1.00 0.00 O ATOM 1761 NE2 GLN B 48 -14.549 4.141 -12.871 1.00 0.00 N ATOM 0 H GLN B 48 -11.450 0.622 -10.778 1.00 0.00 H new ATOM 0 HA GLN B 48 -9.969 2.862 -11.880 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -12.385 2.472 -10.149 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -11.533 4.000 -10.047 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -11.855 4.464 -12.387 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -12.312 2.809 -12.738 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -14.093 4.043 -13.778 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -15.539 4.382 -12.821 1.00 0.00 H new ATOM 1770 N LYS B 49 -9.200 3.880 -9.476 1.00 0.00 N ATOM 1771 CA LYS B 49 -8.283 4.217 -8.400 1.00 0.00 C ATOM 1772 C LYS B 49 -8.800 5.456 -7.665 1.00 0.00 C ATOM 1773 O LYS B 49 -9.372 6.353 -8.281 1.00 0.00 O ATOM 1774 CB LYS B 49 -6.859 4.370 -8.938 1.00 0.00 C ATOM 1775 CG LYS B 49 -6.421 3.115 -9.695 1.00 0.00 C ATOM 1776 CD LYS B 49 -4.986 3.255 -10.206 1.00 0.00 C ATOM 1777 CE LYS B 49 -4.022 2.407 -9.374 1.00 0.00 C ATOM 1778 NZ LYS B 49 -2.854 2.001 -10.187 1.00 0.00 N ATOM 0 H LYS B 49 -9.655 4.680 -9.915 1.00 0.00 H new ATOM 0 HA LYS B 49 -8.238 3.409 -7.670 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.807 5.235 -9.600 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -6.173 4.559 -8.112 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -6.494 2.247 -9.040 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -7.094 2.939 -10.534 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -4.937 2.948 -11.251 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -4.683 4.301 -10.166 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -3.688 2.973 -8.505 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -4.537 1.522 -9.000 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -2.210 1.426 -9.607 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -3.176 1.443 -11.003 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -2.354 2.848 -10.523 1.00 0.00 H new ATOM 1792 N ALA B 50 -8.579 5.465 -6.359 1.00 0.00 N ATOM 1793 CA ALA B 50 -9.014 6.578 -5.534 1.00 0.00 C ATOM 1794 C ALA B 50 -7.884 6.975 -4.581 1.00 0.00 C ATOM 1795 O ALA B 50 -7.536 6.217 -3.677 1.00 0.00 O ATOM 1796 CB ALA B 50 -10.295 6.193 -4.791 1.00 0.00 C ATOM 0 H ALA B 50 -8.104 4.718 -5.852 1.00 0.00 H new ATOM 0 HA ALA B 50 -9.244 7.446 -6.152 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.621 7.028 -4.172 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.075 5.950 -5.513 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.102 5.326 -4.159 1.00 0.00 H new ATOM 1802 N CYS B 51 -7.343 8.161 -4.817 1.00 0.00 N ATOM 1803 CA CYS B 51 -6.260 8.667 -3.992 1.00 0.00 C ATOM 1804 C CYS B 51 -6.820 8.977 -2.602 1.00 0.00 C ATOM 1805 O CYS B 51 -7.909 9.533 -2.478 1.00 0.00 O ATOM 1806 CB CYS B 51 -5.591 9.889 -4.623 1.00 0.00 C ATOM 1807 SG CYS B 51 -4.023 9.538 -5.501 1.00 0.00 S ATOM 0 H CYS B 51 -7.635 8.786 -5.568 1.00 0.00 H new ATOM 0 HA CYS B 51 -5.479 7.911 -3.908 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -6.289 10.346 -5.324 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -5.397 10.624 -3.841 1.00 0.00 H new ATOM 1812 N LEU B 52 -6.048 8.603 -1.592 1.00 0.00 N ATOM 1813 CA LEU B 52 -6.453 8.835 -0.216 1.00 0.00 C ATOM 1814 C LEU B 52 -5.559 9.913 0.400 1.00 0.00 C ATOM 1815 O LEU B 52 -4.512 10.246 -0.152 1.00 0.00 O ATOM 1816 CB LEU B 52 -6.461 7.521 0.569 1.00 0.00 C ATOM 1817 CG LEU B 52 -7.379 6.422 0.028 1.00 0.00 C ATOM 1818 CD1 LEU B 52 -6.985 5.054 0.586 1.00 0.00 C ATOM 1819 CD2 LEU B 52 -8.848 6.751 0.302 1.00 0.00 C ATOM 0 H LEU B 52 -5.145 8.141 -1.699 1.00 0.00 H new ATOM 0 HA LEU B 52 -7.476 9.209 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.443 7.133 0.601 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.752 7.737 1.597 1.00 0.00 H new ATOM 0 HG LEU B 52 -7.255 6.376 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -7.653 4.292 0.186 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -5.959 4.825 0.298 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -7.061 5.069 1.673 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -9.479 5.954 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -9.006 6.841 1.377 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -9.107 7.692 -0.183 1.00 0.00 H new ATOM 1831 N ASN B 53 -6.005 10.428 1.537 1.00 0.00 N ATOM 1832 CA ASN B 53 -5.259 11.462 2.233 1.00 0.00 C ATOM 1833 C ASN B 53 -4.359 10.812 3.287 1.00 0.00 C ATOM 1834 O ASN B 53 -4.844 10.129 4.187 1.00 0.00 O ATOM 1835 CB ASN B 53 -6.200 12.433 2.949 1.00 0.00 C ATOM 1836 CG ASN B 53 -5.426 13.620 3.526 1.00 0.00 C ATOM 1837 OD1 ASN B 53 -5.775 13.940 4.769 1.00 0.00 O flip ATOM 1838 ND2 ASN B 53 -4.570 14.207 2.886 1.00 0.00 N flip ATOM 0 H ASN B 53 -6.873 10.148 1.993 1.00 0.00 H new ATOM 0 HA ASN B 53 -4.671 12.008 1.496 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -6.957 12.792 2.252 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -6.725 11.912 3.750 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -4.350 13.910 1.935 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -4.074 14.995 3.301 1.00 0.00 H new ATOM 1845 N PRO B 54 -3.030 11.056 3.136 1.00 0.00 N ATOM 1846 CA PRO B 54 -2.058 10.502 4.064 1.00 0.00 C ATOM 1847 C PRO B 54 -2.080 11.256 5.395 1.00 0.00 C ATOM 1848 O PRO B 54 -1.317 10.937 6.306 1.00 0.00 O ATOM 1849 CB PRO B 54 -0.723 10.607 3.344 1.00 0.00 C ATOM 1850 CG PRO B 54 -0.924 11.632 2.240 1.00 0.00 C ATOM 1851 CD PRO B 54 -2.419 11.861 2.082 1.00 0.00 C ATOM 0 HA PRO B 54 -2.272 9.467 4.330 1.00 0.00 H new ATOM 0 HB2 PRO B 54 0.066 10.919 4.028 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -0.425 9.643 2.932 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -0.419 12.565 2.489 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -0.492 11.276 1.305 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -2.672 12.916 2.192 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -2.765 11.551 1.096 1.00 0.00 H new ATOM 1859 N ALA B 55 -2.962 12.242 5.466 1.00 0.00 N ATOM 1860 CA ALA B 55 -3.094 13.043 6.671 1.00 0.00 C ATOM 1861 C ALA B 55 -4.459 12.778 7.308 1.00 0.00 C ATOM 1862 O ALA B 55 -4.973 13.611 8.053 1.00 0.00 O ATOM 1863 CB ALA B 55 -2.888 14.520 6.327 1.00 0.00 C ATOM 0 H ALA B 55 -3.592 12.504 4.708 1.00 0.00 H new ATOM 0 HA ALA B 55 -2.332 12.768 7.400 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -2.987 15.121 7.231 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -1.893 14.660 5.905 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -3.637 14.832 5.600 1.00 0.00 H new ATOM 1869 N SER B 56 -5.007 11.614 6.993 1.00 0.00 N ATOM 1870 CA SER B 56 -6.303 11.228 7.526 1.00 0.00 C ATOM 1871 C SER B 56 -6.158 9.983 8.403 1.00 0.00 C ATOM 1872 O SER B 56 -5.362 9.095 8.101 1.00 0.00 O ATOM 1873 CB SER B 56 -7.307 10.970 6.400 1.00 0.00 C ATOM 1874 OG SER B 56 -8.406 10.176 6.837 1.00 0.00 O ATOM 0 H SER B 56 -4.578 10.925 6.375 1.00 0.00 H new ATOM 0 HA SER B 56 -6.682 12.050 8.133 1.00 0.00 H new ATOM 0 HB2 SER B 56 -7.676 11.922 6.018 1.00 0.00 H new ATOM 0 HB3 SER B 56 -6.804 10.469 5.573 1.00 0.00 H new ATOM 0 HG SER B 56 -9.025 10.035 6.090 1.00 0.00 H new ATOM 1880 N PRO B 57 -6.961 9.957 9.500 1.00 0.00 N ATOM 1881 CA PRO B 57 -6.930 8.835 10.424 1.00 0.00 C ATOM 1882 C PRO B 57 -7.642 7.617 9.831 1.00 0.00 C ATOM 1883 O PRO B 57 -7.388 6.485 10.241 1.00 0.00 O ATOM 1884 CB PRO B 57 -7.592 9.351 11.691 1.00 0.00 C ATOM 1885 CG PRO B 57 -8.381 10.582 11.278 1.00 0.00 C ATOM 1886 CD PRO B 57 -7.916 10.990 9.890 1.00 0.00 C ATOM 0 HA PRO B 57 -5.918 8.489 10.632 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -8.247 8.595 12.125 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -6.847 9.600 12.447 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -9.450 10.367 11.275 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -8.221 11.394 11.988 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.751 11.041 9.192 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -7.450 11.975 9.902 1.00 0.00 H new ATOM 1894 N MET B 58 -8.519 7.891 8.876 1.00 0.00 N ATOM 1895 CA MET B 58 -9.269 6.832 8.223 1.00 0.00 C ATOM 1896 C MET B 58 -8.393 6.077 7.221 1.00 0.00 C ATOM 1897 O MET B 58 -8.701 4.945 6.852 1.00 0.00 O ATOM 1898 CB MET B 58 -10.474 7.432 7.497 1.00 0.00 C ATOM 1899 CG MET B 58 -11.598 6.403 7.355 1.00 0.00 C ATOM 1900 SD MET B 58 -12.168 5.895 8.968 1.00 0.00 S ATOM 1901 CE MET B 58 -12.381 7.491 9.738 1.00 0.00 C ATOM 0 H MET B 58 -8.727 8.831 8.539 1.00 0.00 H new ATOM 0 HA MET B 58 -9.606 6.129 8.985 1.00 0.00 H new ATOM 0 HB2 MET B 58 -10.838 8.300 8.046 1.00 0.00 H new ATOM 0 HB3 MET B 58 -10.171 7.783 6.511 1.00 0.00 H new ATOM 0 HG2 MET B 58 -12.424 6.831 6.786 1.00 0.00 H new ATOM 0 HG3 MET B 58 -11.241 5.537 6.797 1.00 0.00 H new ATOM 0 HE1 MET B 58 -13.077 7.403 10.572 1.00 0.00 H new ATOM 0 HE2 MET B 58 -11.419 7.849 10.105 1.00 0.00 H new ATOM 0 HE3 MET B 58 -12.777 8.197 9.008 1.00 0.00 H new ATOM 1911 N VAL B 59 -7.319 6.735 6.810 1.00 0.00 N ATOM 1912 CA VAL B 59 -6.397 6.140 5.858 1.00 0.00 C ATOM 1913 C VAL B 59 -5.623 5.011 6.541 1.00 0.00 C ATOM 1914 O VAL B 59 -5.078 4.134 5.873 1.00 0.00 O ATOM 1915 CB VAL B 59 -5.485 7.219 5.269 1.00 0.00 C ATOM 1916 CG1 VAL B 59 -4.122 6.636 4.888 1.00 0.00 C ATOM 1917 CG2 VAL B 59 -6.145 7.900 4.069 1.00 0.00 C ATOM 0 H VAL B 59 -7.067 7.674 7.119 1.00 0.00 H new ATOM 0 HA VAL B 59 -6.942 5.701 5.022 1.00 0.00 H new ATOM 0 HB VAL B 59 -5.323 7.976 6.036 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -3.493 7.423 4.472 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -3.644 6.220 5.775 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -4.257 5.849 4.146 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -5.476 8.662 3.670 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -6.351 7.158 3.298 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -7.079 8.366 4.383 1.00 0.00 H new ATOM 1927 N LYS B 60 -5.599 5.069 7.865 1.00 0.00 N ATOM 1928 CA LYS B 60 -4.901 4.062 8.646 1.00 0.00 C ATOM 1929 C LYS B 60 -5.887 2.965 9.052 1.00 0.00 C ATOM 1930 O LYS B 60 -5.528 2.044 9.785 1.00 0.00 O ATOM 1931 CB LYS B 60 -4.178 4.708 9.829 1.00 0.00 C ATOM 1932 CG LYS B 60 -3.233 5.815 9.357 1.00 0.00 C ATOM 1933 CD LYS B 60 -3.990 7.127 9.141 1.00 0.00 C ATOM 1934 CE LYS B 60 -3.302 8.283 9.869 1.00 0.00 C ATOM 1935 NZ LYS B 60 -3.369 8.086 11.335 1.00 0.00 N ATOM 0 H LYS B 60 -6.052 5.798 8.416 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.123 3.587 8.048 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -4.909 5.121 10.525 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.613 3.950 10.372 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -2.444 5.963 10.094 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -2.749 5.513 8.428 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -4.047 7.347 8.075 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -5.014 7.024 9.501 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -2.261 8.352 9.553 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -3.780 9.225 9.601 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -3.422 9.011 11.808 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.214 7.528 11.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -2.519 7.581 11.657 1.00 0.00 H new ATOM 1949 N LYS B 61 -7.109 3.099 8.559 1.00 0.00 N ATOM 1950 CA LYS B 61 -8.149 2.130 8.861 1.00 0.00 C ATOM 1951 C LYS B 61 -8.589 1.440 7.568 1.00 0.00 C ATOM 1952 O LYS B 61 -9.237 0.395 7.608 1.00 0.00 O ATOM 1953 CB LYS B 61 -9.296 2.795 9.624 1.00 0.00 C ATOM 1954 CG LYS B 61 -8.830 3.286 10.996 1.00 0.00 C ATOM 1955 CD LYS B 61 -9.814 2.869 12.091 1.00 0.00 C ATOM 1956 CE LYS B 61 -9.379 3.409 13.455 1.00 0.00 C ATOM 1957 NZ LYS B 61 -10.172 4.605 13.815 1.00 0.00 N ATOM 0 H LYS B 61 -7.403 3.864 7.952 1.00 0.00 H new ATOM 0 HA LYS B 61 -7.765 1.353 9.522 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -9.684 3.634 9.046 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -10.115 2.086 9.746 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -7.843 2.880 11.215 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -8.733 4.372 10.984 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -10.810 3.240 11.850 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -9.880 1.782 12.131 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -9.506 2.638 14.215 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -8.319 3.662 13.432 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -9.864 4.959 14.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -10.030 5.345 13.098 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -11.180 4.353 13.857 1.00 0.00 H new ATOM 1971 N ILE B 62 -8.218 2.052 6.453 1.00 0.00 N ATOM 1972 CA ILE B 62 -8.566 1.509 5.151 1.00 0.00 C ATOM 1973 C ILE B 62 -7.432 0.609 4.658 1.00 0.00 C ATOM 1974 O ILE B 62 -7.622 -0.193 3.745 1.00 0.00 O ATOM 1975 CB ILE B 62 -8.923 2.636 4.179 1.00 0.00 C ATOM 1976 CG1 ILE B 62 -10.040 3.515 4.746 1.00 0.00 C ATOM 1977 CG2 ILE B 62 -9.277 2.078 2.799 1.00 0.00 C ATOM 1978 CD1 ILE B 62 -9.906 4.957 4.252 1.00 0.00 C ATOM 0 H ILE B 62 -7.680 2.918 6.424 1.00 0.00 H new ATOM 0 HA ILE B 62 -9.458 0.887 5.224 1.00 0.00 H new ATOM 0 HB ILE B 62 -8.046 3.271 4.054 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -11.009 3.114 4.450 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -10.006 3.495 5.835 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -9.527 2.899 2.127 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -8.425 1.529 2.399 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -10.132 1.408 2.886 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -10.712 5.561 4.669 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -8.946 5.363 4.571 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -9.965 4.976 3.164 1.00 0.00 H new ATOM 1990 N ILE B 63 -6.276 0.771 5.285 1.00 0.00 N ATOM 1991 CA ILE B 63 -5.111 -0.018 4.922 1.00 0.00 C ATOM 1992 C ILE B 63 -5.048 -1.265 5.806 1.00 0.00 C ATOM 1993 O ILE B 63 -5.005 -2.386 5.302 1.00 0.00 O ATOM 1994 CB ILE B 63 -3.845 0.840 4.979 1.00 0.00 C ATOM 1995 CG1 ILE B 63 -3.759 1.772 3.768 1.00 0.00 C ATOM 1996 CG2 ILE B 63 -2.596 -0.033 5.119 1.00 0.00 C ATOM 1997 CD1 ILE B 63 -2.994 3.051 4.113 1.00 0.00 C ATOM 0 H ILE B 63 -6.121 1.437 6.042 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.191 -0.362 3.891 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.899 1.469 5.867 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.263 1.259 2.944 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -4.763 2.025 3.428 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.711 0.602 5.157 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -2.662 -0.619 6.036 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -2.524 -0.705 4.264 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -2.948 3.695 3.235 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.506 3.574 4.921 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -1.983 2.796 4.430 1.00 0.00 H new ATOM 2009 N GLU B 64 -5.046 -1.028 7.110 1.00 0.00 N ATOM 2010 CA GLU B 64 -4.990 -2.118 8.069 1.00 0.00 C ATOM 2011 C GLU B 64 -6.101 -3.131 7.786 1.00 0.00 C ATOM 2012 O GLU B 64 -5.905 -4.334 7.953 1.00 0.00 O ATOM 2013 CB GLU B 64 -5.080 -1.592 9.503 1.00 0.00 C ATOM 2014 CG GLU B 64 -3.847 -0.760 9.860 1.00 0.00 C ATOM 2015 CD GLU B 64 -4.145 0.194 11.018 1.00 0.00 C ATOM 2016 OE1 GLU B 64 -5.197 -0.007 11.662 1.00 0.00 O ATOM 2017 OE2 GLU B 64 -3.315 1.104 11.232 1.00 0.00 O ATOM 0 H GLU B 64 -5.082 -0.097 7.525 1.00 0.00 H new ATOM 0 HA GLU B 64 -4.029 -2.622 7.961 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.978 -0.985 9.616 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -5.172 -2.428 10.196 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -3.024 -1.421 10.132 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -3.524 -0.190 8.989 1.00 0.00 H new ATOM 2024 N LYS B 65 -7.242 -2.608 7.363 1.00 0.00 N ATOM 2025 CA LYS B 65 -8.384 -3.452 7.055 1.00 0.00 C ATOM 2026 C LYS B 65 -8.159 -4.134 5.704 1.00 0.00 C ATOM 2027 O LYS B 65 -8.681 -5.221 5.459 1.00 0.00 O ATOM 2028 CB LYS B 65 -9.682 -2.646 7.129 1.00 0.00 C ATOM 2029 CG LYS B 65 -10.166 -2.516 8.574 1.00 0.00 C ATOM 2030 CD LYS B 65 -11.021 -3.720 8.976 1.00 0.00 C ATOM 2031 CE LYS B 65 -11.527 -3.578 10.413 1.00 0.00 C ATOM 2032 NZ LYS B 65 -10.478 -3.986 11.374 1.00 0.00 N ATOM 0 H LYS B 65 -7.400 -1.610 7.226 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.485 -4.243 7.799 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.523 -1.655 6.705 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -10.450 -3.131 6.527 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -9.309 -2.435 9.242 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -10.746 -1.600 8.686 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -11.868 -3.812 8.296 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -10.435 -4.634 8.882 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -11.819 -2.545 10.602 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -12.417 -4.192 10.554 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -10.838 -3.884 12.345 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -10.218 -4.979 11.204 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -9.640 -3.383 11.250 1.00 0.00 H new ATOM 2046 N MET B 66 -7.382 -3.468 4.863 1.00 0.00 N ATOM 2047 CA MET B 66 -7.082 -3.996 3.543 1.00 0.00 C ATOM 2048 C MET B 66 -6.161 -5.214 3.636 1.00 0.00 C ATOM 2049 O MET B 66 -6.323 -6.177 2.888 1.00 0.00 O ATOM 2050 CB MET B 66 -6.410 -2.911 2.699 1.00 0.00 C ATOM 2051 CG MET B 66 -7.295 -2.508 1.517 1.00 0.00 C ATOM 2052 SD MET B 66 -7.329 -3.819 0.306 1.00 0.00 S ATOM 2053 CE MET B 66 -5.578 -4.102 0.106 1.00 0.00 C ATOM 0 H MET B 66 -6.951 -2.567 5.070 1.00 0.00 H new ATOM 0 HA MET B 66 -8.017 -4.305 3.075 1.00 0.00 H new ATOM 0 HB2 MET B 66 -6.205 -2.038 3.319 1.00 0.00 H new ATOM 0 HB3 MET B 66 -5.450 -3.274 2.332 1.00 0.00 H new ATOM 0 HG2 MET B 66 -8.306 -2.296 1.865 1.00 0.00 H new ATOM 0 HG3 MET B 66 -6.916 -1.592 1.063 1.00 0.00 H new ATOM 0 HE1 MET B 66 -5.381 -4.467 -0.902 1.00 0.00 H new ATOM 0 HE2 MET B 66 -5.038 -3.169 0.266 1.00 0.00 H new ATOM 0 HE3 MET B 66 -5.244 -4.843 0.832 1.00 0.00 H new ATOM 2063 N LEU B 67 -5.216 -5.132 4.560 1.00 0.00 N ATOM 2064 CA LEU B 67 -4.269 -6.216 4.761 1.00 0.00 C ATOM 2065 C LEU B 67 -4.982 -7.393 5.429 1.00 0.00 C ATOM 2066 O LEU B 67 -4.467 -8.510 5.440 1.00 0.00 O ATOM 2067 CB LEU B 67 -3.044 -5.721 5.532 1.00 0.00 C ATOM 2068 CG LEU B 67 -2.018 -4.926 4.722 1.00 0.00 C ATOM 2069 CD1 LEU B 67 -2.661 -3.698 4.075 1.00 0.00 C ATOM 2070 CD2 LEU B 67 -0.809 -4.553 5.583 1.00 0.00 C ATOM 0 H LEU B 67 -5.085 -4.331 5.178 1.00 0.00 H new ATOM 0 HA LEU B 67 -3.891 -6.574 3.803 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -3.387 -5.098 6.358 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.542 -6.584 5.970 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.655 -5.562 3.915 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -1.909 -3.151 3.506 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -3.462 -4.016 3.407 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -3.071 -3.051 4.850 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -0.095 -3.989 4.983 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.136 -3.944 6.426 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -0.333 -5.460 5.955 1.00 0.00 H new ATOM 2082 N LYS B 68 -6.156 -7.102 5.970 1.00 0.00 N ATOM 2083 CA LYS B 68 -6.945 -8.123 6.639 1.00 0.00 C ATOM 2084 C LYS B 68 -8.100 -8.546 5.729 1.00 0.00 C ATOM 2085 O LYS B 68 -8.585 -9.673 5.818 1.00 0.00 O ATOM 2086 CB LYS B 68 -7.395 -7.635 8.017 1.00 0.00 C ATOM 2087 CG LYS B 68 -8.545 -8.490 8.553 1.00 0.00 C ATOM 2088 CD LYS B 68 -8.334 -8.828 10.031 1.00 0.00 C ATOM 2089 CE LYS B 68 -7.373 -10.007 10.192 1.00 0.00 C ATOM 2090 NZ LYS B 68 -6.137 -9.578 10.885 1.00 0.00 N ATOM 0 H LYS B 68 -6.580 -6.174 5.959 1.00 0.00 H new ATOM 0 HA LYS B 68 -6.341 -9.012 6.823 1.00 0.00 H new ATOM 0 HB2 LYS B 68 -6.556 -7.671 8.712 1.00 0.00 H new ATOM 0 HB3 LYS B 68 -7.711 -6.594 7.953 1.00 0.00 H new ATOM 0 HG2 LYS B 68 -9.488 -7.957 8.429 1.00 0.00 H new ATOM 0 HG3 LYS B 68 -8.620 -9.410 7.973 1.00 0.00 H new ATOM 0 HD2 LYS B 68 -7.938 -7.957 10.554 1.00 0.00 H new ATOM 0 HD3 LYS B 68 -9.291 -9.069 10.493 1.00 0.00 H new ATOM 0 HE2 LYS B 68 -7.857 -10.803 10.758 1.00 0.00 H new ATOM 0 HE3 LYS B 68 -7.124 -10.417 9.213 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 -5.496 -10.391 10.986 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 -5.668 -8.834 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 -6.378 -9.208 11.827 1.00 0.00 H new ATOM 2104 N ASN B 69 -8.508 -7.619 4.874 1.00 0.00 N ATOM 2105 CA ASN B 69 -9.597 -7.882 3.949 1.00 0.00 C ATOM 2106 C ASN B 69 -10.875 -8.170 4.740 1.00 0.00 C ATOM 2107 O ASN B 69 -11.741 -7.305 4.863 1.00 0.00 O ATOM 2108 CB ASN B 69 -9.297 -9.103 3.077 1.00 0.00 C ATOM 2109 CG ASN B 69 -10.527 -9.513 2.265 1.00 0.00 C ATOM 2110 OD1 ASN B 69 -11.327 -10.338 2.677 1.00 0.00 O ATOM 2111 ND2 ASN B 69 -10.634 -8.894 1.093 1.00 0.00 N ATOM 0 H ASN B 69 -8.104 -6.685 4.803 1.00 0.00 H new ATOM 0 HA ASN B 69 -9.717 -7.005 3.313 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -8.470 -8.879 2.403 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -8.979 -9.934 3.706 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -11.421 -9.099 0.478 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -9.929 -8.214 0.809 1.00 0.00 H new