USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1228 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 89 THR OG1 : rot 180:sc= -0.0233 USER MOD Set 1.2: B 90 HIS : no HD1:sc= -0.593 X(o=-0.62,f=-0.27) USER MOD Set 2.1: B 59 GLN : amide:sc= 0.924 K(o=0.5,f=-1.3) USER MOD Set 2.2: B 65 GLN : amide:sc= -0.422 X(o=0.5,f=0.34) USER MOD Set 3.1: A 89 THR OG1 : rot 180:sc= -0.0154 USER MOD Set 3.2: A 90 HIS : no HD1:sc= -0.653 X(o=-0.67,f=-0.27) USER MOD Set 4.1: A 59 GLN : amide:sc= 0.98 K(o=0.55,f=-1.2) USER MOD Set 4.2: A 65 GLN : amide:sc= -0.432 X(o=0.55,f=0.41) USER MOD Single : A 7 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-2.7!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 16 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.315 K(o=-0.31,f=-1.4) USER MOD Single : A 29 SER OG : rot -31:sc= 0.827 USER MOD Single : A 30 LYS NZ :NH3+ -118:sc= -0.203 (180deg=-0.367) USER MOD Single : A 34 LYS NZ :NH3+ -150:sc= -2.35 (180deg=-3.19!) USER MOD Single : A 35 GLN :FLIP amide:sc=-0.00473 F(o=-1.2,f=-0.0047) USER MOD Single : A 38 THR OG1 : rot -89:sc= 1.29 USER MOD Single : A 39 LYS NZ :NH3+ -117:sc= 0.995 (180deg=0.127) USER MOD Single : A 43 ASN : amide:sc= 1 K(o=1,f=-0.22) USER MOD Single : A 44 THR OG1 : rot -35:sc= 1.15 USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= -1.48 (180deg=-2.91!) USER MOD Single : A 47 ASN : amide:sc= 0.13 K(o=0.13,f=-1.1) USER MOD Single : A 49 LYS NZ :NH3+ 171:sc= -0.0626 (180deg=-0.212) USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= -0.159 (180deg=-0.517) USER MOD Single : A 64 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.48) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 33:sc= 1.16 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HE2:sc= 0.69 K(o=0.69,f=-4.5!) USER MOD Single : B 7 HIS : no HD1:sc= -2.04 K(o=-2,f=-2.6!) USER MOD Single : B 13 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : B 16 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=0) USER MOD Single : B 17 GLN : amide:sc= -0.327 K(o=-0.33,f=-1.4) USER MOD Single : B 29 SER OG : rot -33:sc= 0.848 USER MOD Single : B 30 LYS NZ :NH3+ -177:sc= -0.128 (180deg=-0.171) USER MOD Single : B 34 LYS NZ :NH3+ -151:sc= -2.32 (180deg=-3.6!) USER MOD Single : B 35 GLN :FLIP amide:sc= -0.0105 F(o=-1.2!,f=-0.01) USER MOD Single : B 38 THR OG1 : rot -92:sc= 1.27 USER MOD Single : B 39 LYS NZ :NH3+ -122:sc= 1.07 (180deg=0.192) USER MOD Single : B 43 ASN : amide:sc= 1.06 K(o=1.1,f=-0.18) USER MOD Single : B 44 THR OG1 : rot -32:sc= 1.14 USER MOD Single : B 46 LYS NZ :NH3+ 156:sc= -1.48 (180deg=-2.89) USER MOD Single : B 47 ASN : amide:sc= 0.182 K(o=0.18,f=-0.99) USER MOD Single : B 49 LYS NZ :NH3+ 171:sc= -0.0545 (180deg=-0.236) USER MOD Single : B 51 LYS NZ :NH3+ -162:sc= -0.145 (180deg=-0.572) USER MOD Single : B 64 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.47) USER MOD Single : B 68 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : B 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 76 SER OG : rot 36:sc= 1.11 USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HE2:sc= 0.75 K(o=0.75,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 5 -4.519 5.484 9.570 1.00 1.20 N ATOM 76 CA GLU A 5 -3.581 6.544 9.217 1.00 0.93 C ATOM 77 C GLU A 5 -2.166 6.136 9.627 1.00 0.69 C ATOM 78 O GLU A 5 -1.210 6.310 8.874 1.00 0.68 O ATOM 79 CB GLU A 5 -3.986 7.844 9.920 1.00 1.39 C ATOM 80 CG GLU A 5 -2.992 8.986 9.764 1.00 1.80 C ATOM 81 CD GLU A 5 -2.902 9.515 8.349 1.00 2.48 C ATOM 82 OE1 GLU A 5 -3.782 10.309 7.951 1.00 3.00 O ATOM 83 OE2 GLU A 5 -1.941 9.166 7.637 1.00 3.10 O ATOM 0 HA GLU A 5 -3.601 6.705 8.139 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -4.952 8.166 9.532 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -4.121 7.640 10.982 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -3.277 9.800 10.431 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -2.006 8.645 10.080 1.00 1.80 H new ATOM 90 N GLU A 6 -2.057 5.553 10.820 1.00 0.68 N ATOM 91 CA GLU A 6 -0.781 5.079 11.346 1.00 0.67 C ATOM 92 C GLU A 6 -0.170 4.024 10.425 1.00 0.54 C ATOM 93 O GLU A 6 1.045 3.843 10.379 1.00 0.60 O ATOM 94 CB GLU A 6 -0.985 4.495 12.746 1.00 0.78 C ATOM 95 CG GLU A 6 0.286 3.968 13.389 1.00 1.07 C ATOM 96 CD GLU A 6 0.019 3.260 14.699 1.00 1.79 C ATOM 97 OE1 GLU A 6 0.028 3.926 15.755 1.00 2.48 O ATOM 98 OE2 GLU A 6 -0.195 2.027 14.681 1.00 2.51 O ATOM 0 H GLU A 6 -2.848 5.397 11.445 1.00 0.68 H new ATOM 0 HA GLU A 6 -0.094 5.924 11.401 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -1.413 5.263 13.390 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -1.713 3.686 12.688 1.00 0.78 H new ATOM 0 HG2 GLU A 6 0.780 3.281 12.702 1.00 1.07 H new ATOM 0 HG3 GLU A 6 0.974 4.796 13.560 1.00 1.07 H new ATOM 105 N HIS A 7 -1.018 3.341 9.674 1.00 0.42 N ATOM 106 CA HIS A 7 -0.562 2.289 8.786 1.00 0.38 C ATOM 107 C HIS A 7 0.021 2.894 7.515 1.00 0.35 C ATOM 108 O HIS A 7 1.144 2.563 7.135 1.00 0.39 O ATOM 109 CB HIS A 7 -1.700 1.316 8.462 1.00 0.43 C ATOM 110 CG HIS A 7 -2.172 0.532 9.652 1.00 0.95 C ATOM 111 ND1 HIS A 7 -2.154 -0.846 9.706 1.00 1.73 N ATOM 112 CD2 HIS A 7 -2.677 0.944 10.840 1.00 1.60 C ATOM 113 CE1 HIS A 7 -2.626 -1.242 10.877 1.00 2.16 C ATOM 114 NE2 HIS A 7 -2.948 -0.176 11.576 1.00 2.03 N ATOM 0 H HIS A 7 -2.026 3.498 9.663 1.00 0.42 H new ATOM 0 HA HIS A 7 0.222 1.723 9.289 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.539 1.875 8.049 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -1.367 0.623 7.689 1.00 0.43 H new ATOM 0 HD2 HIS A 7 -2.836 1.967 11.148 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -2.729 -2.266 11.203 1.00 2.16 H new ATOM 0 HE2 HIS A 7 -3.338 -0.183 12.518 1.00 2.03 H new ATOM 123 N LEU A 8 -0.733 3.795 6.889 1.00 0.34 N ATOM 124 CA LEU A 8 -0.272 4.503 5.692 1.00 0.32 C ATOM 125 C LEU A 8 0.951 5.346 6.003 1.00 0.33 C ATOM 126 O LEU A 8 2.030 5.138 5.443 1.00 0.33 O ATOM 127 CB LEU A 8 -1.369 5.420 5.168 1.00 0.33 C ATOM 128 CG LEU A 8 -2.680 4.723 4.816 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.695 5.733 4.335 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.453 3.649 3.765 1.00 0.33 C ATOM 0 H LEU A 8 -1.672 4.055 7.192 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.018 3.755 4.941 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.572 6.184 5.918 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -0.999 5.934 4.281 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.068 4.241 5.713 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.626 5.223 4.087 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -3.880 6.465 5.121 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.312 6.240 3.450 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.401 3.165 3.529 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.043 4.103 2.863 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -1.752 2.907 4.148 1.00 0.33 H new ATOM 142 N GLU A 9 0.772 6.284 6.924 1.00 0.37 N ATOM 143 CA GLU A 9 1.823 7.210 7.298 1.00 0.40 C ATOM 144 C GLU A 9 3.022 6.460 7.864 1.00 0.40 C ATOM 145 O GLU A 9 4.163 6.871 7.689 1.00 0.42 O ATOM 146 CB GLU A 9 1.298 8.205 8.330 1.00 0.47 C ATOM 147 CG GLU A 9 2.287 9.303 8.670 1.00 1.24 C ATOM 148 CD GLU A 9 1.861 10.111 9.872 1.00 1.72 C ATOM 149 OE1 GLU A 9 2.020 9.615 11.008 1.00 2.41 O ATOM 150 OE2 GLU A 9 1.372 11.244 9.690 1.00 2.17 O ATOM 0 H GLU A 9 -0.104 6.421 7.429 1.00 0.37 H new ATOM 0 HA GLU A 9 2.141 7.751 6.407 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.381 8.657 7.953 1.00 0.47 H new ATOM 0 HB3 GLU A 9 1.037 7.667 9.241 1.00 0.47 H new ATOM 0 HG2 GLU A 9 3.265 8.861 8.861 1.00 1.24 H new ATOM 0 HG3 GLU A 9 2.399 9.966 7.812 1.00 1.24 H new ATOM 157 N GLY A 10 2.748 5.349 8.533 1.00 0.40 N ATOM 158 CA GLY A 10 3.802 4.546 9.117 1.00 0.43 C ATOM 159 C GLY A 10 4.689 3.900 8.073 1.00 0.39 C ATOM 160 O GLY A 10 5.901 3.802 8.260 1.00 0.44 O ATOM 0 H GLY A 10 1.806 4.987 8.682 1.00 0.40 H new ATOM 0 HA2 GLY A 10 4.411 5.172 9.769 1.00 0.43 H new ATOM 0 HA3 GLY A 10 3.359 3.771 9.742 1.00 0.43 H new ATOM 164 N ILE A 11 4.085 3.454 6.977 1.00 0.34 N ATOM 165 CA ILE A 11 4.836 2.873 5.870 1.00 0.33 C ATOM 166 C ILE A 11 5.694 3.948 5.212 1.00 0.33 C ATOM 167 O ILE A 11 6.858 3.730 4.878 1.00 0.38 O ATOM 168 CB ILE A 11 3.887 2.243 4.820 1.00 0.35 C ATOM 169 CG1 ILE A 11 3.180 1.011 5.395 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.644 1.875 3.556 1.00 0.50 C ATOM 171 CD1 ILE A 11 4.114 -0.140 5.716 1.00 1.16 C ATOM 0 H ILE A 11 3.076 3.484 6.831 1.00 0.34 H new ATOM 0 HA ILE A 11 5.475 2.084 6.267 1.00 0.33 H new ATOM 0 HB ILE A 11 3.132 2.986 4.564 1.00 0.35 H new ATOM 0 HG12 ILE A 11 2.649 1.299 6.302 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.430 0.669 4.682 1.00 0.41 H new ATOM 0 HG21 ILE A 11 3.956 1.435 2.835 1.00 0.50 H new ATOM 0 HG22 ILE A 11 5.094 2.771 3.128 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.426 1.155 3.797 1.00 0.50 H new ATOM 0 HD11 ILE A 11 3.539 -0.974 6.118 1.00 1.16 H new ATOM 0 HD12 ILE A 11 4.626 -0.457 4.808 1.00 1.16 H new ATOM 0 HD13 ILE A 11 4.849 0.183 6.453 1.00 1.16 H new ATOM 183 N VAL A 12 5.104 5.117 5.057 1.00 0.33 N ATOM 184 CA VAL A 12 5.793 6.265 4.493 1.00 0.38 C ATOM 185 C VAL A 12 6.955 6.711 5.384 1.00 0.40 C ATOM 186 O VAL A 12 8.068 6.948 4.906 1.00 0.45 O ATOM 187 CB VAL A 12 4.793 7.417 4.292 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.501 8.726 3.997 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.838 7.057 3.170 1.00 0.48 C ATOM 0 H VAL A 12 4.135 5.299 5.318 1.00 0.33 H new ATOM 0 HA VAL A 12 6.212 5.978 3.529 1.00 0.38 H new ATOM 0 HB VAL A 12 4.233 7.559 5.216 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.763 9.516 3.861 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.156 8.981 4.830 1.00 0.57 H new ATOM 0 HG13 VAL A 12 6.093 8.622 3.088 1.00 0.57 H new ATOM 0 HG21 VAL A 12 3.127 7.870 3.023 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.401 6.896 2.251 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.299 6.146 3.429 1.00 0.48 H new ATOM 199 N ASN A 13 6.690 6.793 6.678 1.00 0.42 N ATOM 200 CA ASN A 13 7.688 7.221 7.650 1.00 0.48 C ATOM 201 C ASN A 13 8.846 6.231 7.725 1.00 0.48 C ATOM 202 O ASN A 13 10.009 6.630 7.807 1.00 0.58 O ATOM 203 CB ASN A 13 7.040 7.379 9.030 1.00 0.61 C ATOM 204 CG ASN A 13 8.037 7.764 10.107 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.616 6.905 10.767 1.00 1.31 O ATOM 206 ND2 ASN A 13 8.238 9.059 10.294 1.00 1.42 N ATOM 0 H ASN A 13 5.782 6.566 7.084 1.00 0.42 H new ATOM 0 HA ASN A 13 8.087 8.182 7.326 1.00 0.48 H new ATOM 0 HB2 ASN A 13 6.260 8.138 8.975 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.555 6.443 9.308 1.00 0.61 H new ATOM 0 HD21 ASN A 13 8.894 9.375 11.008 1.00 1.42 H new ATOM 0 HD22 ASN A 13 7.737 9.740 9.724 1.00 1.42 H new ATOM 213 N ILE A 14 8.532 4.941 7.669 1.00 0.47 N ATOM 214 CA ILE A 14 9.558 3.917 7.798 1.00 0.57 C ATOM 215 C ILE A 14 10.453 3.888 6.558 1.00 0.53 C ATOM 216 O ILE A 14 11.630 3.535 6.642 1.00 0.60 O ATOM 217 CB ILE A 14 8.954 2.513 8.064 1.00 0.68 C ATOM 218 CG1 ILE A 14 10.015 1.574 8.640 1.00 1.33 C ATOM 219 CG2 ILE A 14 8.357 1.915 6.798 1.00 1.14 C ATOM 220 CD1 ILE A 14 10.499 1.977 10.017 1.00 2.06 C ATOM 0 H ILE A 14 7.586 4.584 7.537 1.00 0.47 H new ATOM 0 HA ILE A 14 10.164 4.179 8.665 1.00 0.57 H new ATOM 0 HB ILE A 14 8.151 2.631 8.792 1.00 0.68 H new ATOM 0 HG12 ILE A 14 9.607 0.565 8.689 1.00 1.33 H new ATOM 0 HG13 ILE A 14 10.866 1.541 7.960 1.00 1.33 H new ATOM 0 HG21 ILE A 14 7.943 0.932 7.020 1.00 1.14 H new ATOM 0 HG22 ILE A 14 7.566 2.566 6.426 1.00 1.14 H new ATOM 0 HG23 ILE A 14 9.134 1.818 6.040 1.00 1.14 H new ATOM 0 HD11 ILE A 14 11.250 1.266 10.361 1.00 2.06 H new ATOM 0 HD12 ILE A 14 10.938 2.974 9.971 1.00 2.06 H new ATOM 0 HD13 ILE A 14 9.659 1.982 10.711 1.00 2.06 H new ATOM 232 N PHE A 15 9.906 4.286 5.410 1.00 0.48 N ATOM 233 CA PHE A 15 10.706 4.384 4.199 1.00 0.58 C ATOM 234 C PHE A 15 11.673 5.552 4.320 1.00 0.60 C ATOM 235 O PHE A 15 12.811 5.483 3.867 1.00 0.70 O ATOM 236 CB PHE A 15 9.816 4.560 2.968 1.00 0.68 C ATOM 237 CG PHE A 15 10.576 4.569 1.669 1.00 1.18 C ATOM 238 CD1 PHE A 15 11.381 3.499 1.313 1.00 1.74 C ATOM 239 CD2 PHE A 15 10.483 5.647 0.804 1.00 1.93 C ATOM 240 CE1 PHE A 15 12.077 3.504 0.120 1.00 2.35 C ATOM 241 CE2 PHE A 15 11.176 5.657 -0.391 1.00 2.54 C ATOM 242 CZ PHE A 15 11.975 4.584 -0.733 1.00 2.57 C ATOM 0 H PHE A 15 8.925 4.542 5.297 1.00 0.48 H new ATOM 0 HA PHE A 15 11.269 3.459 4.078 1.00 0.58 H new ATOM 0 HB2 PHE A 15 9.081 3.755 2.944 1.00 0.68 H new ATOM 0 HB3 PHE A 15 9.262 5.494 3.061 1.00 0.68 H new ATOM 0 HD1 PHE A 15 11.465 2.651 1.976 1.00 1.74 H new ATOM 0 HD2 PHE A 15 9.861 6.490 1.067 1.00 1.93 H new ATOM 0 HE1 PHE A 15 12.701 2.663 -0.145 1.00 2.35 H new ATOM 0 HE2 PHE A 15 11.093 6.503 -1.057 1.00 2.54 H new ATOM 0 HZ PHE A 15 12.519 4.590 -1.666 1.00 2.57 H new ATOM 252 N HIS A 16 11.209 6.615 4.962 1.00 0.59 N ATOM 253 CA HIS A 16 12.033 7.790 5.218 1.00 0.71 C ATOM 254 C HIS A 16 13.102 7.467 6.266 1.00 0.75 C ATOM 255 O HIS A 16 14.096 8.177 6.399 1.00 0.88 O ATOM 256 CB HIS A 16 11.151 8.962 5.675 1.00 0.77 C ATOM 257 CG HIS A 16 11.876 10.272 5.802 1.00 1.15 C ATOM 258 ND1 HIS A 16 11.926 11.212 4.795 1.00 1.82 N ATOM 259 CD2 HIS A 16 12.572 10.800 6.836 1.00 1.84 C ATOM 260 CE1 HIS A 16 12.624 12.254 5.203 1.00 2.22 C ATOM 261 NE2 HIS A 16 13.026 12.031 6.440 1.00 2.23 N ATOM 0 H HIS A 16 10.256 6.688 5.319 1.00 0.59 H new ATOM 0 HA HIS A 16 12.537 8.080 4.296 1.00 0.71 H new ATOM 0 HB2 HIS A 16 10.331 9.082 4.967 1.00 0.77 H new ATOM 0 HB3 HIS A 16 10.706 8.712 6.638 1.00 0.77 H new ATOM 0 HD2 HIS A 16 12.739 10.336 7.797 1.00 1.84 H new ATOM 0 HE1 HIS A 16 12.832 13.141 4.622 1.00 2.22 H new ATOM 0 HE2 HIS A 16 13.583 12.670 7.008 1.00 2.23 H new ATOM 270 N GLN A 17 12.872 6.411 7.036 1.00 0.69 N ATOM 271 CA GLN A 17 13.823 5.989 8.056 1.00 0.81 C ATOM 272 C GLN A 17 15.036 5.305 7.415 1.00 0.93 C ATOM 273 O GLN A 17 16.168 5.769 7.572 1.00 1.18 O ATOM 274 CB GLN A 17 13.141 5.051 9.062 1.00 0.85 C ATOM 275 CG GLN A 17 13.766 5.058 10.454 1.00 1.27 C ATOM 276 CD GLN A 17 15.123 4.380 10.521 1.00 1.99 C ATOM 277 OE1 GLN A 17 15.401 3.430 9.791 1.00 2.60 O ATOM 278 NE2 GLN A 17 15.980 4.864 11.406 1.00 2.77 N ATOM 0 H GLN A 17 12.035 5.831 6.973 1.00 0.69 H new ATOM 0 HA GLN A 17 14.175 6.872 8.589 1.00 0.81 H new ATOM 0 HB2 GLN A 17 12.091 5.331 9.147 1.00 0.85 H new ATOM 0 HB3 GLN A 17 13.169 4.035 8.669 1.00 0.85 H new ATOM 0 HG2 GLN A 17 13.869 6.090 10.790 1.00 1.27 H new ATOM 0 HG3 GLN A 17 13.088 4.562 11.149 1.00 1.27 H new ATOM 0 HE21 GLN A 17 15.714 5.653 11.995 1.00 2.77 H new ATOM 0 HE22 GLN A 17 16.906 4.448 11.499 1.00 2.77 H new ATOM 452 N LEU A 28 17.881 5.468 -1.403 1.00 1.14 N ATOM 453 CA LEU A 28 16.678 5.251 -2.216 1.00 0.90 C ATOM 454 C LEU A 28 16.892 4.087 -3.176 1.00 0.71 C ATOM 455 O LEU A 28 16.098 3.862 -4.079 1.00 0.76 O ATOM 456 CB LEU A 28 16.267 6.507 -3.017 1.00 1.66 C ATOM 457 CG LEU A 28 15.612 7.655 -2.232 1.00 2.02 C ATOM 458 CD1 LEU A 28 14.364 7.176 -1.510 1.00 2.91 C ATOM 459 CD2 LEU A 28 16.589 8.291 -1.257 1.00 2.37 C ATOM 0 HA LEU A 28 15.869 5.022 -1.523 1.00 0.90 H new ATOM 0 HB2 LEU A 28 17.156 6.899 -3.511 1.00 1.66 H new ATOM 0 HB3 LEU A 28 15.577 6.197 -3.802 1.00 1.66 H new ATOM 0 HG LEU A 28 15.318 8.419 -2.952 1.00 2.02 H new ATOM 0 HD11 LEU A 28 13.919 8.007 -0.962 1.00 2.91 H new ATOM 0 HD12 LEU A 28 13.647 6.795 -2.237 1.00 2.91 H new ATOM 0 HD13 LEU A 28 14.630 6.382 -0.812 1.00 2.91 H new ATOM 0 HD21 LEU A 28 16.092 9.099 -0.719 1.00 2.37 H new ATOM 0 HD22 LEU A 28 16.934 7.540 -0.546 1.00 2.37 H new ATOM 0 HD23 LEU A 28 17.442 8.691 -1.805 1.00 2.37 H new ATOM 471 N SER A 29 17.961 3.339 -2.969 1.00 0.61 N ATOM 472 CA SER A 29 18.328 2.275 -3.885 1.00 0.49 C ATOM 473 C SER A 29 17.963 0.904 -3.317 1.00 0.44 C ATOM 474 O SER A 29 17.292 0.814 -2.283 1.00 0.53 O ATOM 475 CB SER A 29 19.817 2.351 -4.204 1.00 0.55 C ATOM 476 OG SER A 29 20.607 2.148 -3.039 1.00 1.35 O ATOM 0 H SER A 29 18.590 3.449 -2.174 1.00 0.61 H new ATOM 0 HA SER A 29 17.764 2.408 -4.808 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.069 1.600 -4.952 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.049 3.324 -4.638 1.00 0.55 H new ATOM 0 HG SER A 29 20.127 2.487 -2.255 1.00 1.35 H new ATOM 482 N LYS A 30 18.400 -0.165 -3.983 1.00 0.38 N ATOM 483 CA LYS A 30 18.055 -1.512 -3.547 1.00 0.36 C ATOM 484 C LYS A 30 18.665 -1.813 -2.182 1.00 0.36 C ATOM 485 O LYS A 30 18.148 -2.643 -1.448 1.00 0.37 O ATOM 486 CB LYS A 30 18.515 -2.565 -4.560 1.00 0.39 C ATOM 487 CG LYS A 30 17.709 -3.859 -4.488 1.00 0.41 C ATOM 488 CD LYS A 30 18.323 -4.979 -5.321 1.00 0.50 C ATOM 489 CE LYS A 30 18.797 -4.487 -6.680 1.00 0.52 C ATOM 490 NZ LYS A 30 19.221 -5.590 -7.590 1.00 1.32 N ATOM 0 H LYS A 30 18.987 -0.123 -4.816 1.00 0.38 H new ATOM 0 HA LYS A 30 16.969 -1.558 -3.471 1.00 0.36 H new ATOM 0 HB2 LYS A 30 18.437 -2.151 -5.565 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.568 -2.790 -4.388 1.00 0.39 H new ATOM 0 HG2 LYS A 30 17.638 -4.181 -3.449 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.693 -3.669 -4.833 1.00 0.41 H new ATOM 0 HD2 LYS A 30 19.163 -5.414 -4.780 1.00 0.50 H new ATOM 0 HD3 LYS A 30 17.588 -5.772 -5.459 1.00 0.50 H new ATOM 0 HE2 LYS A 30 17.995 -3.922 -7.154 1.00 0.52 H new ATOM 0 HE3 LYS A 30 19.631 -3.800 -6.539 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 20.228 -5.478 -7.825 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 19.075 -6.505 -7.118 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 18.656 -5.557 -8.463 1.00 1.32 H new ATOM 504 N GLY A 31 19.761 -1.132 -1.848 1.00 0.39 N ATOM 505 CA GLY A 31 20.404 -1.325 -0.556 1.00 0.40 C ATOM 506 C GLY A 31 19.448 -1.147 0.593 1.00 0.38 C ATOM 507 O GLY A 31 19.285 -2.029 1.440 1.00 0.39 O ATOM 0 H GLY A 31 20.217 -0.448 -2.452 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.836 -2.325 -0.514 1.00 0.40 H new ATOM 0 HA3 GLY A 31 21.227 -0.618 -0.453 1.00 0.40 H new ATOM 511 N GLU A 32 18.799 -0.008 0.583 1.00 0.44 N ATOM 512 CA GLU A 32 17.963 0.427 1.674 1.00 0.50 C ATOM 513 C GLU A 32 16.647 -0.316 1.672 1.00 0.42 C ATOM 514 O GLU A 32 16.119 -0.677 2.726 1.00 0.44 O ATOM 515 CB GLU A 32 17.732 1.923 1.551 1.00 0.67 C ATOM 516 CG GLU A 32 19.024 2.726 1.582 1.00 0.96 C ATOM 517 CD GLU A 32 19.815 2.646 0.292 1.00 1.58 C ATOM 518 OE1 GLU A 32 19.347 3.172 -0.730 1.00 2.10 O ATOM 519 OE2 GLU A 32 20.906 2.048 0.298 1.00 2.44 O ATOM 0 H GLU A 32 18.838 0.651 -0.194 1.00 0.44 H new ATOM 0 HA GLU A 32 18.462 0.211 2.619 1.00 0.50 H new ATOM 0 HB2 GLU A 32 17.205 2.129 0.620 1.00 0.67 H new ATOM 0 HB3 GLU A 32 17.085 2.254 2.363 1.00 0.67 H new ATOM 0 HG2 GLU A 32 18.789 3.770 1.791 1.00 0.96 H new ATOM 0 HG3 GLU A 32 19.645 2.368 2.403 1.00 0.96 H new ATOM 526 N LEU A 33 16.128 -0.543 0.480 1.00 0.38 N ATOM 527 CA LEU A 33 14.926 -1.323 0.312 1.00 0.34 C ATOM 528 C LEU A 33 15.168 -2.727 0.842 1.00 0.29 C ATOM 529 O LEU A 33 14.380 -3.247 1.614 1.00 0.32 O ATOM 530 CB LEU A 33 14.555 -1.376 -1.161 1.00 0.34 C ATOM 531 CG LEU A 33 13.164 -1.932 -1.458 1.00 0.39 C ATOM 532 CD1 LEU A 33 12.096 -1.013 -0.891 1.00 0.52 C ATOM 533 CD2 LEU A 33 12.964 -2.120 -2.951 1.00 0.46 C ATOM 0 H LEU A 33 16.528 -0.193 -0.391 1.00 0.38 H new ATOM 0 HA LEU A 33 14.106 -0.865 0.865 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.623 -0.369 -1.573 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.292 -1.985 -1.684 1.00 0.34 H new ATOM 0 HG LEU A 33 13.076 -2.907 -0.979 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.110 -1.422 -1.111 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.223 -0.931 0.188 1.00 0.52 H new ATOM 0 HD13 LEU A 33 12.188 -0.026 -1.344 1.00 0.52 H new ATOM 0 HD21 LEU A 33 11.966 -2.517 -3.137 1.00 0.46 H new ATOM 0 HD22 LEU A 33 13.073 -1.160 -3.456 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.709 -2.818 -3.333 1.00 0.46 H new ATOM 545 N LYS A 34 16.288 -3.312 0.433 1.00 0.29 N ATOM 546 CA LYS A 34 16.705 -4.626 0.906 1.00 0.31 C ATOM 547 C LYS A 34 16.754 -4.655 2.427 1.00 0.35 C ATOM 548 O LYS A 34 16.188 -5.546 3.055 1.00 0.41 O ATOM 549 CB LYS A 34 18.083 -4.969 0.329 1.00 0.34 C ATOM 550 CG LYS A 34 18.737 -6.200 0.947 1.00 0.53 C ATOM 551 CD LYS A 34 20.076 -6.521 0.298 1.00 0.85 C ATOM 552 CE LYS A 34 21.235 -5.757 0.932 1.00 1.30 C ATOM 553 NZ LYS A 34 21.158 -4.290 0.700 1.00 1.87 N ATOM 0 H LYS A 34 16.932 -2.889 -0.235 1.00 0.29 H new ATOM 0 HA LYS A 34 15.979 -5.367 0.570 1.00 0.31 H new ATOM 0 HB2 LYS A 34 17.985 -5.126 -0.745 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.744 -4.114 0.467 1.00 0.34 H new ATOM 0 HG2 LYS A 34 18.882 -6.036 2.015 1.00 0.53 H new ATOM 0 HG3 LYS A 34 18.070 -7.056 0.844 1.00 0.53 H new ATOM 0 HD2 LYS A 34 20.266 -7.592 0.376 1.00 0.85 H new ATOM 0 HD3 LYS A 34 20.027 -6.283 -0.764 1.00 0.85 H new ATOM 0 HE2 LYS A 34 21.247 -5.950 2.005 1.00 1.30 H new ATOM 0 HE3 LYS A 34 22.175 -6.134 0.530 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 22.118 -3.892 0.672 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 20.681 -4.106 -0.206 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 20.621 -3.844 1.471 1.00 1.87 H new ATOM 567 N GLN A 35 17.431 -3.669 3.005 1.00 0.35 N ATOM 568 CA GLN A 35 17.525 -3.538 4.448 1.00 0.43 C ATOM 569 C GLN A 35 16.137 -3.539 5.075 1.00 0.43 C ATOM 570 O GLN A 35 15.818 -4.424 5.863 1.00 0.50 O ATOM 571 CB GLN A 35 18.280 -2.255 4.795 1.00 0.50 C ATOM 572 CG GLN A 35 18.574 -2.109 6.272 1.00 1.07 C ATOM 573 CD GLN A 35 19.391 -0.870 6.591 1.00 1.68 C ATOM 574 OE1 GLN A 35 20.233 -0.449 5.659 1.00 2.46 O flip ATOM 575 NE2 GLN A 35 19.269 -0.301 7.673 1.00 2.07 N flip ATOM 0 H GLN A 35 17.926 -2.943 2.487 1.00 0.35 H new ATOM 0 HA GLN A 35 18.073 -4.389 4.852 1.00 0.43 H new ATOM 0 HB2 GLN A 35 19.219 -2.234 4.242 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.695 -1.397 4.462 1.00 0.50 H new ATOM 0 HG2 GLN A 35 17.634 -2.070 6.822 1.00 1.07 H new ATOM 0 HG3 GLN A 35 19.111 -2.992 6.620 1.00 1.07 H new ATOM 0 HE21 GLN A 35 18.609 -0.657 8.365 1.00 2.07 H new ATOM 0 HE22 GLN A 35 19.828 0.527 7.880 1.00 2.07 H new ATOM 584 N LEU A 36 15.305 -2.578 4.681 1.00 0.38 N ATOM 585 CA LEU A 36 13.957 -2.447 5.214 1.00 0.39 C ATOM 586 C LEU A 36 13.179 -3.752 5.052 1.00 0.38 C ATOM 587 O LEU A 36 12.636 -4.280 6.006 1.00 0.45 O ATOM 588 CB LEU A 36 13.236 -1.301 4.498 1.00 0.36 C ATOM 589 CG LEU A 36 11.860 -0.922 5.052 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.596 0.551 4.816 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.767 -1.747 4.396 1.00 0.40 C ATOM 0 H LEU A 36 15.548 -1.872 3.986 1.00 0.38 H new ATOM 0 HA LEU A 36 14.018 -2.225 6.279 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.875 -0.419 4.533 1.00 0.36 H new ATOM 0 HB3 LEU A 36 13.121 -1.570 3.448 1.00 0.36 H new ATOM 0 HG LEU A 36 11.855 -1.127 6.123 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.615 0.813 5.213 1.00 0.45 H new ATOM 0 HD12 LEU A 36 12.361 1.143 5.319 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.622 0.758 3.746 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.799 -1.460 4.806 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.773 -1.569 3.321 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.944 -2.805 4.590 1.00 0.40 H new ATOM 603 N LEU A 37 13.158 -4.279 3.841 1.00 0.34 N ATOM 604 CA LEU A 37 12.347 -5.448 3.522 1.00 0.35 C ATOM 605 C LEU A 37 12.779 -6.691 4.296 1.00 0.41 C ATOM 606 O LEU A 37 11.941 -7.381 4.877 1.00 0.45 O ATOM 607 CB LEU A 37 12.405 -5.727 2.027 1.00 0.34 C ATOM 608 CG LEU A 37 11.882 -4.598 1.136 1.00 0.30 C ATOM 609 CD1 LEU A 37 11.963 -4.984 -0.331 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.459 -4.232 1.518 1.00 0.32 C ATOM 0 H LEU A 37 13.696 -3.915 3.055 1.00 0.34 H new ATOM 0 HA LEU A 37 11.324 -5.220 3.821 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.439 -5.937 1.752 1.00 0.34 H new ATOM 0 HB3 LEU A 37 11.830 -6.629 1.819 1.00 0.34 H new ATOM 0 HG LEU A 37 12.514 -3.723 1.290 1.00 0.30 H new ATOM 0 HD11 LEU A 37 11.586 -4.165 -0.944 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.000 -5.188 -0.597 1.00 0.38 H new ATOM 0 HD13 LEU A 37 11.361 -5.876 -0.506 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.105 -3.428 0.873 1.00 0.32 H new ATOM 0 HD22 LEU A 37 9.815 -5.103 1.399 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.434 -3.902 2.557 1.00 0.32 H new ATOM 622 N THR A 38 14.078 -6.969 4.311 1.00 0.45 N ATOM 623 CA THR A 38 14.588 -8.191 4.919 1.00 0.53 C ATOM 624 C THR A 38 14.334 -8.221 6.417 1.00 0.59 C ATOM 625 O THR A 38 14.131 -9.286 6.994 1.00 0.66 O ATOM 626 CB THR A 38 16.098 -8.370 4.672 1.00 0.55 C ATOM 627 OG1 THR A 38 16.809 -7.185 5.052 1.00 1.23 O ATOM 628 CG2 THR A 38 16.382 -8.687 3.217 1.00 1.03 C ATOM 0 H THR A 38 14.796 -6.365 3.910 1.00 0.45 H new ATOM 0 HA THR A 38 14.048 -9.010 4.443 1.00 0.53 H new ATOM 0 HB THR A 38 16.437 -9.208 5.282 1.00 0.55 H new ATOM 0 HG1 THR A 38 16.863 -6.576 4.286 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.456 -8.808 3.074 1.00 1.03 H new ATOM 0 HG22 THR A 38 15.873 -9.610 2.940 1.00 1.03 H new ATOM 0 HG23 THR A 38 16.022 -7.871 2.590 1.00 1.03 H new ATOM 636 N LYS A 39 14.367 -7.060 7.049 1.00 0.58 N ATOM 637 CA LYS A 39 14.211 -7.000 8.487 1.00 0.66 C ATOM 638 C LYS A 39 12.771 -6.700 8.905 1.00 0.64 C ATOM 639 O LYS A 39 12.278 -7.265 9.880 1.00 0.72 O ATOM 640 CB LYS A 39 15.177 -5.977 9.086 1.00 0.72 C ATOM 641 CG LYS A 39 14.927 -4.554 8.627 1.00 0.68 C ATOM 642 CD LYS A 39 16.148 -3.668 8.831 1.00 0.73 C ATOM 643 CE LYS A 39 16.605 -3.668 10.285 1.00 0.87 C ATOM 644 NZ LYS A 39 15.553 -3.157 11.205 1.00 1.61 N ATOM 0 H LYS A 39 14.499 -6.157 6.593 1.00 0.58 H new ATOM 0 HA LYS A 39 14.453 -7.987 8.880 1.00 0.66 H new ATOM 0 HB2 LYS A 39 15.104 -6.016 10.173 1.00 0.72 H new ATOM 0 HB3 LYS A 39 16.197 -6.259 8.825 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.652 -4.556 7.572 1.00 0.68 H new ATOM 0 HG3 LYS A 39 14.082 -4.139 9.176 1.00 0.68 H new ATOM 0 HD2 LYS A 39 16.961 -4.016 8.194 1.00 0.73 H new ATOM 0 HD3 LYS A 39 15.914 -2.649 8.522 1.00 0.73 H new ATOM 0 HE2 LYS A 39 16.880 -4.681 10.578 1.00 0.87 H new ATOM 0 HE3 LYS A 39 17.500 -3.054 10.383 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 15.889 -2.289 11.669 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 14.690 -2.948 10.664 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 15.344 -3.876 11.927 1.00 1.61 H new ATOM 658 N GLU A 40 12.087 -5.848 8.150 1.00 0.57 N ATOM 659 CA GLU A 40 10.789 -5.339 8.575 1.00 0.58 C ATOM 660 C GLU A 40 9.651 -6.229 8.081 1.00 0.56 C ATOM 661 O GLU A 40 8.763 -6.594 8.851 1.00 0.64 O ATOM 662 CB GLU A 40 10.588 -3.897 8.085 1.00 0.58 C ATOM 663 CG GLU A 40 11.592 -2.900 8.643 1.00 0.87 C ATOM 664 CD GLU A 40 11.778 -2.999 10.148 1.00 1.14 C ATOM 665 OE1 GLU A 40 10.774 -2.967 10.888 1.00 1.63 O ATOM 666 OE2 GLU A 40 12.942 -3.094 10.595 1.00 1.67 O ATOM 0 H GLU A 40 12.407 -5.497 7.247 1.00 0.57 H new ATOM 0 HA GLU A 40 10.772 -5.347 9.665 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.647 -3.884 6.997 1.00 0.58 H new ATOM 0 HB3 GLU A 40 9.583 -3.571 8.353 1.00 0.58 H new ATOM 0 HG2 GLU A 40 12.555 -3.055 8.156 1.00 0.87 H new ATOM 0 HG3 GLU A 40 11.267 -1.891 8.391 1.00 0.87 H new ATOM 673 N LEU A 41 9.690 -6.595 6.803 1.00 0.50 N ATOM 674 CA LEU A 41 8.621 -7.397 6.207 1.00 0.49 C ATOM 675 C LEU A 41 9.101 -8.814 5.942 1.00 0.52 C ATOM 676 O LEU A 41 8.643 -9.485 5.012 1.00 0.53 O ATOM 677 CB LEU A 41 8.104 -6.767 4.904 1.00 0.43 C ATOM 678 CG LEU A 41 7.513 -5.358 5.030 1.00 0.51 C ATOM 679 CD1 LEU A 41 6.719 -5.211 6.319 1.00 1.22 C ATOM 680 CD2 LEU A 41 8.601 -4.306 4.943 1.00 1.42 C ATOM 0 H LEU A 41 10.445 -6.352 6.162 1.00 0.50 H new ATOM 0 HA LEU A 41 7.797 -7.426 6.920 1.00 0.49 H new ATOM 0 HB2 LEU A 41 8.926 -6.733 4.189 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.342 -7.423 4.483 1.00 0.43 H new ATOM 0 HG LEU A 41 6.828 -5.207 4.196 1.00 0.51 H new ATOM 0 HD11 LEU A 41 6.311 -4.202 6.382 1.00 1.22 H new ATOM 0 HD12 LEU A 41 5.903 -5.933 6.328 1.00 1.22 H new ATOM 0 HD13 LEU A 41 7.373 -5.392 7.172 1.00 1.22 H new ATOM 0 HD21 LEU A 41 8.157 -3.315 5.035 1.00 1.42 H new ATOM 0 HD22 LEU A 41 9.319 -4.458 5.749 1.00 1.42 H new ATOM 0 HD23 LEU A 41 9.110 -4.388 3.983 1.00 1.42 H new ATOM 692 N ALA A 42 10.027 -9.260 6.781 1.00 0.58 N ATOM 693 CA ALA A 42 10.596 -10.606 6.691 1.00 0.64 C ATOM 694 C ALA A 42 9.522 -11.683 6.793 1.00 0.71 C ATOM 695 O ALA A 42 9.695 -12.802 6.307 1.00 0.78 O ATOM 696 CB ALA A 42 11.629 -10.809 7.786 1.00 0.71 C ATOM 0 H ALA A 42 10.408 -8.701 7.545 1.00 0.58 H new ATOM 0 HA ALA A 42 11.071 -10.697 5.714 1.00 0.64 H new ATOM 0 HB1 ALA A 42 12.046 -11.813 7.711 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.427 -10.075 7.674 1.00 0.71 H new ATOM 0 HB3 ALA A 42 11.156 -10.685 8.760 1.00 0.71 H new ATOM 702 N ASN A 43 8.412 -11.332 7.413 1.00 0.74 N ATOM 703 CA ASN A 43 7.346 -12.283 7.685 1.00 0.83 C ATOM 704 C ASN A 43 6.229 -12.177 6.648 1.00 0.83 C ATOM 705 O ASN A 43 5.310 -12.992 6.627 1.00 1.07 O ATOM 706 CB ASN A 43 6.803 -12.032 9.100 1.00 0.99 C ATOM 707 CG ASN A 43 5.687 -12.980 9.500 1.00 1.28 C ATOM 708 OD1 ASN A 43 5.941 -14.083 9.984 1.00 1.56 O ATOM 709 ND2 ASN A 43 4.447 -12.551 9.326 1.00 2.16 N ATOM 0 H ASN A 43 8.222 -10.385 7.742 1.00 0.74 H new ATOM 0 HA ASN A 43 7.747 -13.295 7.622 1.00 0.83 H new ATOM 0 HB2 ASN A 43 7.620 -12.124 9.815 1.00 0.99 H new ATOM 0 HB3 ASN A 43 6.438 -11.007 9.163 1.00 0.99 H new ATOM 0 HD21 ASN A 43 3.660 -13.141 9.597 1.00 2.16 H new ATOM 0 HD22 ASN A 43 4.278 -11.630 8.921 1.00 2.16 H new ATOM 716 N THR A 44 6.331 -11.208 5.756 1.00 0.65 N ATOM 717 CA THR A 44 5.227 -10.907 4.866 1.00 0.61 C ATOM 718 C THR A 44 5.517 -11.393 3.455 1.00 0.59 C ATOM 719 O THR A 44 4.832 -12.268 2.923 1.00 0.66 O ATOM 720 CB THR A 44 4.963 -9.395 4.834 1.00 0.56 C ATOM 721 OG1 THR A 44 5.275 -8.826 6.114 1.00 0.65 O ATOM 722 CG2 THR A 44 3.509 -9.116 4.491 1.00 0.53 C ATOM 0 H THR A 44 7.157 -10.623 5.630 1.00 0.65 H new ATOM 0 HA THR A 44 4.345 -11.424 5.245 1.00 0.61 H new ATOM 0 HB THR A 44 5.595 -8.944 4.069 1.00 0.56 H new ATOM 0 HG1 THR A 44 5.038 -9.462 6.821 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.340 -8.039 4.473 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.279 -9.536 3.512 1.00 0.53 H new ATOM 0 HG23 THR A 44 2.864 -9.572 5.242 1.00 0.53 H new ATOM 730 N ILE A 45 6.555 -10.832 2.868 1.00 0.52 N ATOM 731 CA ILE A 45 6.896 -11.100 1.485 1.00 0.52 C ATOM 732 C ILE A 45 7.655 -12.421 1.370 1.00 0.59 C ATOM 733 O ILE A 45 8.588 -12.670 2.139 1.00 0.60 O ATOM 734 CB ILE A 45 7.739 -9.944 0.921 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.996 -8.609 1.088 1.00 0.39 C ATOM 736 CG2 ILE A 45 8.073 -10.193 -0.545 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.786 -7.409 0.610 1.00 0.36 C ATOM 0 H ILE A 45 7.185 -10.179 3.335 1.00 0.52 H new ATOM 0 HA ILE A 45 5.977 -11.182 0.904 1.00 0.52 H new ATOM 0 HB ILE A 45 8.673 -9.891 1.480 1.00 0.43 H new ATOM 0 HG12 ILE A 45 6.055 -8.656 0.539 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.745 -8.472 2.140 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.670 -9.365 -0.928 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.638 -11.121 -0.637 1.00 0.47 H new ATOM 0 HG23 ILE A 45 7.150 -10.272 -1.120 1.00 0.47 H new ATOM 0 HD11 ILE A 45 7.198 -6.503 0.759 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.715 -7.336 1.176 1.00 0.36 H new ATOM 0 HD13 ILE A 45 8.015 -7.522 -0.450 1.00 0.36 H new ATOM 749 N LYS A 46 7.226 -13.279 0.434 1.00 0.67 N ATOM 750 CA LYS A 46 7.855 -14.582 0.242 1.00 0.73 C ATOM 751 C LYS A 46 9.348 -14.427 -0.008 1.00 0.68 C ATOM 752 O LYS A 46 9.761 -13.652 -0.874 1.00 0.63 O ATOM 753 CB LYS A 46 7.188 -15.344 -0.920 1.00 0.82 C ATOM 754 CG LYS A 46 7.649 -14.933 -2.319 1.00 0.79 C ATOM 755 CD LYS A 46 8.819 -15.789 -2.805 1.00 0.75 C ATOM 756 CE LYS A 46 9.216 -15.428 -4.226 1.00 0.88 C ATOM 757 NZ LYS A 46 9.604 -13.999 -4.345 1.00 1.61 N ATOM 0 H LYS A 46 6.448 -13.090 -0.198 1.00 0.67 H new ATOM 0 HA LYS A 46 7.719 -15.162 1.155 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.378 -16.410 -0.791 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.109 -15.202 -0.854 1.00 0.82 H new ATOM 0 HG2 LYS A 46 6.817 -15.024 -3.017 1.00 0.79 H new ATOM 0 HG3 LYS A 46 7.945 -13.884 -2.311 1.00 0.79 H new ATOM 0 HD2 LYS A 46 9.673 -15.652 -2.141 1.00 0.75 H new ATOM 0 HD3 LYS A 46 8.545 -16.843 -2.759 1.00 0.75 H new ATOM 0 HE2 LYS A 46 10.048 -16.058 -4.542 1.00 0.88 H new ATOM 0 HE3 LYS A 46 8.385 -15.636 -4.900 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 10.245 -13.880 -5.155 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 8.753 -13.419 -4.489 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 10.086 -13.697 -3.475 1.00 1.61 H new ATOM 771 N ASN A 47 10.143 -15.155 0.773 1.00 0.71 N ATOM 772 CA ASN A 47 11.599 -15.164 0.634 1.00 0.67 C ATOM 773 C ASN A 47 12.163 -13.764 0.453 1.00 0.59 C ATOM 774 O ASN A 47 13.067 -13.557 -0.349 1.00 0.57 O ATOM 775 CB ASN A 47 12.040 -16.026 -0.549 1.00 0.69 C ATOM 776 CG ASN A 47 11.941 -17.514 -0.282 1.00 0.92 C ATOM 777 OD1 ASN A 47 11.042 -17.979 0.417 1.00 1.48 O ATOM 778 ND2 ASN A 47 12.886 -18.267 -0.822 1.00 1.24 N ATOM 0 H ASN A 47 9.797 -15.756 1.521 1.00 0.71 H new ATOM 0 HA ASN A 47 11.989 -15.586 1.560 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.428 -15.779 -1.417 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.070 -15.778 -0.805 1.00 0.69 H new ATOM 0 HD21 ASN A 47 12.887 -19.275 -0.665 1.00 1.24 H new ATOM 0 HD22 ASN A 47 13.613 -17.840 -1.395 1.00 1.24 H new ATOM 785 N ILE A 48 11.639 -12.807 1.207 1.00 0.55 N ATOM 786 CA ILE A 48 12.085 -11.422 1.100 1.00 0.48 C ATOM 787 C ILE A 48 13.539 -11.296 1.546 1.00 0.48 C ATOM 788 O ILE A 48 14.158 -10.239 1.459 1.00 0.43 O ATOM 789 CB ILE A 48 11.194 -10.492 1.942 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.462 -9.023 1.611 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.406 -10.745 3.424 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.356 -8.700 0.135 1.00 0.38 C ATOM 0 H ILE A 48 10.906 -12.963 1.899 1.00 0.55 H new ATOM 0 HA ILE A 48 12.007 -11.122 0.055 1.00 0.48 H new ATOM 0 HB ILE A 48 10.155 -10.712 1.695 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.755 -8.401 2.161 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.460 -8.758 1.961 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.767 -10.078 4.002 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.154 -11.780 3.656 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.449 -10.560 3.679 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.559 -7.641 -0.021 1.00 0.38 H new ATOM 0 HD12 ILE A 48 12.082 -9.294 -0.421 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.351 -8.933 -0.217 1.00 0.38 H new ATOM 804 N LYS A 49 14.070 -12.405 2.015 1.00 0.56 N ATOM 805 CA LYS A 49 15.440 -12.480 2.466 1.00 0.57 C ATOM 806 C LYS A 49 16.364 -12.671 1.275 1.00 0.55 C ATOM 807 O LYS A 49 17.569 -12.426 1.356 1.00 0.56 O ATOM 808 CB LYS A 49 15.578 -13.639 3.440 1.00 0.65 C ATOM 809 CG LYS A 49 14.529 -13.606 4.542 1.00 0.73 C ATOM 810 CD LYS A 49 14.545 -12.294 5.318 1.00 0.72 C ATOM 811 CE LYS A 49 15.346 -12.398 6.609 1.00 0.82 C ATOM 812 NZ LYS A 49 16.771 -12.756 6.378 1.00 1.11 N ATOM 0 H LYS A 49 13.559 -13.284 2.094 1.00 0.56 H new ATOM 0 HA LYS A 49 15.716 -11.554 2.970 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.497 -14.579 2.894 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.571 -13.616 3.888 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.542 -13.755 4.105 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.701 -14.434 5.229 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.969 -11.509 4.692 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.522 -11.999 5.550 1.00 0.72 H new ATOM 0 HE2 LYS A 49 15.297 -11.447 7.139 1.00 0.82 H new ATOM 0 HE3 LYS A 49 14.888 -13.147 7.255 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 17.301 -12.664 7.268 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 16.832 -13.737 6.039 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 17.178 -12.117 5.665 1.00 1.11 H new ATOM 826 N ASP A 50 15.778 -13.105 0.167 1.00 0.55 N ATOM 827 CA ASP A 50 16.518 -13.311 -1.063 1.00 0.56 C ATOM 828 C ASP A 50 16.672 -12.011 -1.820 1.00 0.50 C ATOM 829 O ASP A 50 15.696 -11.315 -2.090 1.00 0.47 O ATOM 830 CB ASP A 50 15.822 -14.340 -1.954 1.00 0.62 C ATOM 831 CG ASP A 50 16.235 -15.765 -1.656 1.00 0.97 C ATOM 832 OD1 ASP A 50 17.410 -16.110 -1.910 1.00 1.57 O ATOM 833 OD2 ASP A 50 15.392 -16.553 -1.182 1.00 1.58 O ATOM 0 H ASP A 50 14.784 -13.322 0.099 1.00 0.55 H new ATOM 0 HA ASP A 50 17.505 -13.687 -0.794 1.00 0.56 H new ATOM 0 HB2 ASP A 50 14.743 -14.248 -1.829 1.00 0.62 H new ATOM 0 HB3 ASP A 50 16.043 -14.116 -2.998 1.00 0.62 H new ATOM 838 N LYS A 51 17.910 -11.695 -2.170 1.00 0.50 N ATOM 839 CA LYS A 51 18.206 -10.493 -2.929 1.00 0.48 C ATOM 840 C LYS A 51 17.631 -10.611 -4.326 1.00 0.50 C ATOM 841 O LYS A 51 17.381 -9.613 -4.987 1.00 0.48 O ATOM 842 CB LYS A 51 19.709 -10.277 -3.023 1.00 0.53 C ATOM 843 CG LYS A 51 20.159 -8.869 -2.650 1.00 0.83 C ATOM 844 CD LYS A 51 19.568 -7.803 -3.568 1.00 0.60 C ATOM 845 CE LYS A 51 20.176 -7.834 -4.967 1.00 0.83 C ATOM 846 NZ LYS A 51 21.663 -7.776 -4.941 1.00 0.92 N ATOM 0 H LYS A 51 18.728 -12.258 -1.938 1.00 0.50 H new ATOM 0 HA LYS A 51 17.756 -9.643 -2.416 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.210 -10.992 -2.370 1.00 0.53 H new ATOM 0 HB3 LYS A 51 20.034 -10.493 -4.041 1.00 0.53 H new ATOM 0 HG2 LYS A 51 19.868 -8.659 -1.621 1.00 0.83 H new ATOM 0 HG3 LYS A 51 21.247 -8.816 -2.691 1.00 0.83 H new ATOM 0 HD2 LYS A 51 18.490 -7.948 -3.641 1.00 0.60 H new ATOM 0 HD3 LYS A 51 19.729 -6.819 -3.127 1.00 0.60 H new ATOM 0 HE2 LYS A 51 19.860 -8.743 -5.478 1.00 0.83 H new ATOM 0 HE3 LYS A 51 19.792 -6.994 -5.546 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 22.016 -7.495 -5.878 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 21.971 -7.080 -4.232 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 22.043 -8.712 -4.694 1.00 0.92 H new ATOM 860 N ALA A 52 17.437 -11.841 -4.771 1.00 0.55 N ATOM 861 CA ALA A 52 16.810 -12.097 -6.055 1.00 0.60 C ATOM 862 C ALA A 52 15.344 -11.725 -5.970 1.00 0.58 C ATOM 863 O ALA A 52 14.767 -11.183 -6.907 1.00 0.60 O ATOM 864 CB ALA A 52 16.967 -13.557 -6.442 1.00 0.67 C ATOM 0 H ALA A 52 17.706 -12.681 -4.259 1.00 0.55 H new ATOM 0 HA ALA A 52 17.294 -11.493 -6.823 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.491 -13.731 -7.407 1.00 0.67 H new ATOM 0 HB2 ALA A 52 18.027 -13.803 -6.510 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.496 -14.186 -5.687 1.00 0.67 H new ATOM 870 N VAL A 53 14.773 -11.984 -4.803 1.00 0.54 N ATOM 871 CA VAL A 53 13.385 -11.650 -4.523 1.00 0.53 C ATOM 872 C VAL A 53 13.248 -10.147 -4.374 1.00 0.47 C ATOM 873 O VAL A 53 12.349 -9.527 -4.938 1.00 0.48 O ATOM 874 CB VAL A 53 12.895 -12.353 -3.236 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.565 -11.785 -2.751 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.774 -13.847 -3.470 1.00 0.60 C ATOM 0 H VAL A 53 15.258 -12.431 -4.025 1.00 0.54 H new ATOM 0 HA VAL A 53 12.770 -11.995 -5.354 1.00 0.53 H new ATOM 0 HB VAL A 53 13.635 -12.169 -2.457 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.256 -12.306 -1.845 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.679 -10.722 -2.537 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.808 -11.920 -3.524 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.428 -14.331 -2.557 1.00 0.60 H new ATOM 0 HG22 VAL A 53 12.060 -14.033 -4.272 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.747 -14.252 -3.749 1.00 0.60 H new ATOM 886 N ILE A 54 14.167 -9.573 -3.619 1.00 0.42 N ATOM 887 CA ILE A 54 14.224 -8.133 -3.436 1.00 0.36 C ATOM 888 C ILE A 54 14.424 -7.417 -4.758 1.00 0.38 C ATOM 889 O ILE A 54 13.799 -6.398 -5.018 1.00 0.38 O ATOM 890 CB ILE A 54 15.352 -7.766 -2.483 1.00 0.35 C ATOM 891 CG1 ILE A 54 15.018 -8.343 -1.121 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.550 -6.253 -2.416 1.00 0.32 C ATOM 893 CD1 ILE A 54 16.171 -8.316 -0.164 1.00 0.38 C ATOM 0 H ILE A 54 14.891 -10.088 -3.118 1.00 0.42 H new ATOM 0 HA ILE A 54 13.271 -7.815 -3.012 1.00 0.36 H new ATOM 0 HB ILE A 54 16.293 -8.183 -2.840 1.00 0.35 H new ATOM 0 HG12 ILE A 54 14.186 -7.784 -0.692 1.00 0.37 H new ATOM 0 HG13 ILE A 54 14.681 -9.372 -1.243 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.363 -6.023 -1.727 1.00 0.32 H new ATOM 0 HG22 ILE A 54 15.797 -5.874 -3.408 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.632 -5.781 -2.065 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.862 -8.743 0.790 1.00 0.38 H new ATOM 0 HD12 ILE A 54 16.997 -8.899 -0.572 1.00 0.38 H new ATOM 0 HD13 ILE A 54 16.494 -7.286 -0.012 1.00 0.38 H new ATOM 905 N ASP A 55 15.299 -7.963 -5.585 1.00 0.43 N ATOM 906 CA ASP A 55 15.554 -7.412 -6.905 1.00 0.47 C ATOM 907 C ASP A 55 14.313 -7.500 -7.747 1.00 0.48 C ATOM 908 O ASP A 55 13.918 -6.535 -8.364 1.00 0.49 O ATOM 909 CB ASP A 55 16.679 -8.165 -7.591 1.00 0.55 C ATOM 910 CG ASP A 55 16.884 -7.735 -9.022 1.00 0.86 C ATOM 911 OD1 ASP A 55 17.455 -6.644 -9.238 1.00 1.44 O ATOM 912 OD2 ASP A 55 16.488 -8.487 -9.935 1.00 1.53 O ATOM 0 H ASP A 55 15.848 -8.793 -5.363 1.00 0.43 H new ATOM 0 HA ASP A 55 15.845 -6.368 -6.789 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.604 -8.013 -7.035 1.00 0.55 H new ATOM 0 HB3 ASP A 55 16.464 -9.233 -7.565 1.00 0.55 H new ATOM 917 N GLU A 56 13.708 -8.668 -7.752 1.00 0.51 N ATOM 918 CA GLU A 56 12.454 -8.883 -8.445 1.00 0.54 C ATOM 919 C GLU A 56 11.448 -7.781 -8.117 1.00 0.47 C ATOM 920 O GLU A 56 10.814 -7.213 -9.012 1.00 0.49 O ATOM 921 CB GLU A 56 11.904 -10.243 -8.049 1.00 0.58 C ATOM 922 CG GLU A 56 12.433 -11.389 -8.892 1.00 0.69 C ATOM 923 CD GLU A 56 12.106 -11.227 -10.361 1.00 1.06 C ATOM 924 OE1 GLU A 56 10.936 -11.450 -10.744 1.00 1.66 O ATOM 925 OE2 GLU A 56 13.016 -10.887 -11.145 1.00 1.77 O ATOM 0 H GLU A 56 14.070 -9.495 -7.277 1.00 0.51 H new ATOM 0 HA GLU A 56 12.629 -8.854 -9.521 1.00 0.54 H new ATOM 0 HB2 GLU A 56 12.147 -10.432 -7.003 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.817 -10.221 -8.125 1.00 0.58 H new ATOM 0 HG2 GLU A 56 13.514 -11.457 -8.769 1.00 0.69 H new ATOM 0 HG3 GLU A 56 12.011 -12.327 -8.530 1.00 0.69 H new ATOM 932 N ILE A 57 11.332 -7.452 -6.837 1.00 0.42 N ATOM 933 CA ILE A 57 10.401 -6.428 -6.409 1.00 0.39 C ATOM 934 C ILE A 57 10.905 -5.040 -6.792 1.00 0.36 C ATOM 935 O ILE A 57 10.195 -4.268 -7.429 1.00 0.37 O ATOM 936 CB ILE A 57 10.189 -6.482 -4.893 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.701 -7.865 -4.452 1.00 0.48 C ATOM 938 CG2 ILE A 57 9.211 -5.411 -4.464 1.00 0.59 C ATOM 939 CD1 ILE A 57 8.558 -8.411 -5.282 1.00 1.00 C ATOM 0 H ILE A 57 11.870 -7.880 -6.084 1.00 0.42 H new ATOM 0 HA ILE A 57 9.453 -6.618 -6.912 1.00 0.39 H new ATOM 0 HB ILE A 57 11.148 -6.297 -4.408 1.00 0.40 H new ATOM 0 HG12 ILE A 57 10.536 -8.565 -4.498 1.00 0.48 H new ATOM 0 HG13 ILE A 57 9.386 -7.812 -3.410 1.00 0.48 H new ATOM 0 HG21 ILE A 57 9.069 -5.460 -3.384 1.00 0.59 H new ATOM 0 HG22 ILE A 57 9.603 -4.431 -4.734 1.00 0.59 H new ATOM 0 HG23 ILE A 57 8.255 -5.570 -4.964 1.00 0.59 H new ATOM 0 HD11 ILE A 57 8.272 -9.393 -4.905 1.00 1.00 H new ATOM 0 HD12 ILE A 57 7.706 -7.735 -5.217 1.00 1.00 H new ATOM 0 HD13 ILE A 57 8.873 -8.499 -6.322 1.00 1.00 H new ATOM 951 N PHE A 58 12.140 -4.750 -6.398 1.00 0.35 N ATOM 952 CA PHE A 58 12.790 -3.470 -6.671 1.00 0.36 C ATOM 953 C PHE A 58 12.688 -3.117 -8.145 1.00 0.41 C ATOM 954 O PHE A 58 12.298 -2.013 -8.506 1.00 0.44 O ATOM 955 CB PHE A 58 14.264 -3.548 -6.255 1.00 0.38 C ATOM 956 CG PHE A 58 15.060 -2.311 -6.554 1.00 0.52 C ATOM 957 CD1 PHE A 58 15.020 -1.224 -5.700 1.00 1.12 C ATOM 958 CD2 PHE A 58 15.856 -2.241 -7.686 1.00 1.52 C ATOM 959 CE1 PHE A 58 15.757 -0.090 -5.967 1.00 1.16 C ATOM 960 CE2 PHE A 58 16.594 -1.109 -7.959 1.00 1.68 C ATOM 961 CZ PHE A 58 16.544 -0.032 -7.097 1.00 0.93 C ATOM 0 H PHE A 58 12.725 -5.402 -5.875 1.00 0.35 H new ATOM 0 HA PHE A 58 12.287 -2.692 -6.097 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.317 -3.749 -5.185 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.727 -4.395 -6.762 1.00 0.38 H new ATOM 0 HD1 PHE A 58 14.404 -1.264 -4.814 1.00 1.12 H new ATOM 0 HD2 PHE A 58 15.899 -3.082 -8.362 1.00 1.52 H new ATOM 0 HE1 PHE A 58 15.718 0.752 -5.292 1.00 1.16 H new ATOM 0 HE2 PHE A 58 17.210 -1.065 -8.845 1.00 1.68 H new ATOM 0 HZ PHE A 58 17.121 0.856 -7.308 1.00 0.93 H new ATOM 971 N GLN A 59 13.026 -4.082 -8.979 1.00 0.45 N ATOM 972 CA GLN A 59 12.988 -3.927 -10.422 1.00 0.52 C ATOM 973 C GLN A 59 11.557 -3.706 -10.902 1.00 0.52 C ATOM 974 O GLN A 59 11.320 -3.043 -11.913 1.00 0.57 O ATOM 975 CB GLN A 59 13.571 -5.174 -11.092 1.00 0.58 C ATOM 976 CG GLN A 59 15.059 -5.403 -10.835 1.00 0.61 C ATOM 977 CD GLN A 59 15.920 -4.209 -11.192 1.00 1.10 C ATOM 978 OE1 GLN A 59 15.577 -3.414 -12.066 1.00 1.92 O ATOM 979 NE2 GLN A 59 17.064 -4.099 -10.538 1.00 1.63 N ATOM 0 H GLN A 59 13.337 -5.004 -8.672 1.00 0.45 H new ATOM 0 HA GLN A 59 13.584 -3.056 -10.693 1.00 0.52 H new ATOM 0 HB2 GLN A 59 13.018 -6.047 -10.746 1.00 0.58 H new ATOM 0 HB3 GLN A 59 13.410 -5.100 -12.167 1.00 0.58 H new ATOM 0 HG2 GLN A 59 15.206 -5.646 -9.783 1.00 0.61 H new ATOM 0 HG3 GLN A 59 15.391 -6.267 -11.411 1.00 0.61 H new ATOM 0 HE21 GLN A 59 17.309 -4.781 -9.820 1.00 1.63 H new ATOM 0 HE22 GLN A 59 17.702 -3.332 -10.751 1.00 1.63 H new ATOM 988 N GLY A 60 10.605 -4.282 -10.177 1.00 0.48 N ATOM 989 CA GLY A 60 9.206 -4.089 -10.498 1.00 0.49 C ATOM 990 C GLY A 60 8.738 -2.674 -10.213 1.00 0.47 C ATOM 991 O GLY A 60 7.777 -2.198 -10.813 1.00 0.53 O ATOM 0 H GLY A 60 10.779 -4.881 -9.370 1.00 0.48 H new ATOM 0 HA2 GLY A 60 9.043 -4.318 -11.551 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.603 -4.791 -9.922 1.00 0.49 H new ATOM 995 N LEU A 61 9.418 -1.998 -9.293 1.00 0.42 N ATOM 996 CA LEU A 61 9.076 -0.625 -8.952 1.00 0.44 C ATOM 997 C LEU A 61 9.923 0.322 -9.787 1.00 0.51 C ATOM 998 O LEU A 61 9.427 1.313 -10.329 1.00 0.58 O ATOM 999 CB LEU A 61 9.318 -0.356 -7.460 1.00 0.39 C ATOM 1000 CG LEU A 61 9.323 -1.593 -6.558 1.00 0.34 C ATOM 1001 CD1 LEU A 61 9.875 -1.251 -5.185 1.00 0.31 C ATOM 1002 CD2 LEU A 61 7.923 -2.178 -6.436 1.00 0.35 C ATOM 0 H LEU A 61 10.208 -2.379 -8.772 1.00 0.42 H new ATOM 0 HA LEU A 61 8.019 -0.463 -9.162 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.275 0.155 -7.352 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.549 0.329 -7.103 1.00 0.39 H new ATOM 0 HG LEU A 61 9.969 -2.343 -7.014 1.00 0.34 H new ATOM 0 HD11 LEU A 61 9.870 -2.143 -4.559 1.00 0.31 H new ATOM 0 HD12 LEU A 61 10.896 -0.883 -5.285 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.255 -0.481 -4.725 1.00 0.31 H new ATOM 0 HD21 LEU A 61 7.951 -3.056 -5.791 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.253 -1.433 -6.007 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.561 -2.465 -7.423 1.00 0.35 H new ATOM 1014 N ASP A 62 11.201 -0.016 -9.895 1.00 0.50 N ATOM 1015 CA ASP A 62 12.161 0.765 -10.664 1.00 0.59 C ATOM 1016 C ASP A 62 12.026 0.451 -12.148 1.00 0.70 C ATOM 1017 O ASP A 62 12.853 -0.245 -12.737 1.00 0.75 O ATOM 1018 CB ASP A 62 13.589 0.477 -10.190 1.00 0.57 C ATOM 1019 CG ASP A 62 14.636 1.312 -10.914 1.00 0.64 C ATOM 1020 OD1 ASP A 62 14.310 2.414 -11.404 1.00 1.11 O ATOM 1021 OD2 ASP A 62 15.797 0.862 -11.006 1.00 1.40 O ATOM 0 H ASP A 62 11.602 -0.842 -9.451 1.00 0.50 H new ATOM 0 HA ASP A 62 11.951 1.823 -10.508 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.656 0.669 -9.119 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.809 -0.580 -10.339 1.00 0.57 H new ATOM 1026 N ALA A 63 10.961 0.961 -12.739 1.00 0.78 N ATOM 1027 CA ALA A 63 10.720 0.799 -14.162 1.00 0.94 C ATOM 1028 C ALA A 63 11.652 1.701 -14.959 1.00 1.12 C ATOM 1029 O ALA A 63 11.825 1.534 -16.168 1.00 1.30 O ATOM 1030 CB ALA A 63 9.266 1.100 -14.486 1.00 0.99 C ATOM 0 H ALA A 63 10.243 1.496 -12.251 1.00 0.78 H new ATOM 0 HA ALA A 63 10.925 -0.235 -14.441 1.00 0.94 H new ATOM 0 HB1 ALA A 63 9.098 0.975 -15.556 1.00 0.99 H new ATOM 0 HB2 ALA A 63 8.621 0.415 -13.935 1.00 0.99 H new ATOM 0 HB3 ALA A 63 9.034 2.126 -14.200 1.00 0.99 H new ATOM 1036 N ASN A 64 12.239 2.669 -14.266 1.00 1.09 N ATOM 1037 CA ASN A 64 13.186 3.593 -14.873 1.00 1.28 C ATOM 1038 C ASN A 64 14.553 2.929 -15.029 1.00 1.21 C ATOM 1039 O ASN A 64 15.382 3.351 -15.838 1.00 1.37 O ATOM 1040 CB ASN A 64 13.303 4.853 -14.009 1.00 1.34 C ATOM 1041 CG ASN A 64 14.249 5.892 -14.581 1.00 2.03 C ATOM 1042 OD1 ASN A 64 14.389 6.028 -15.797 1.00 2.55 O ATOM 1043 ND2 ASN A 64 14.908 6.632 -13.704 1.00 2.80 N ATOM 0 H ASN A 64 12.073 2.834 -13.273 1.00 1.09 H new ATOM 0 HA ASN A 64 12.825 3.871 -15.863 1.00 1.28 H new ATOM 0 HB2 ASN A 64 12.315 5.298 -13.893 1.00 1.34 H new ATOM 0 HB3 ASN A 64 13.645 4.571 -13.013 1.00 1.34 H new ATOM 0 HD21 ASN A 64 15.560 7.346 -14.027 1.00 2.80 H new ATOM 0 HD22 ASN A 64 14.764 6.488 -12.705 1.00 2.80 H new ATOM 1050 N GLN A 65 14.756 1.868 -14.244 1.00 1.03 N ATOM 1051 CA GLN A 65 15.972 1.057 -14.289 1.00 1.05 C ATOM 1052 C GLN A 65 17.196 1.879 -13.900 1.00 1.04 C ATOM 1053 O GLN A 65 18.280 1.691 -14.450 1.00 1.17 O ATOM 1054 CB GLN A 65 16.171 0.447 -15.682 1.00 1.31 C ATOM 1055 CG GLN A 65 15.025 -0.442 -16.141 1.00 1.37 C ATOM 1056 CD GLN A 65 14.781 -1.625 -15.224 1.00 2.03 C ATOM 1057 OE1 GLN A 65 13.651 -2.092 -15.091 1.00 2.72 O ATOM 1058 NE2 GLN A 65 15.834 -2.130 -14.602 1.00 2.57 N ATOM 0 H GLN A 65 14.076 1.547 -13.555 1.00 1.03 H new ATOM 0 HA GLN A 65 15.855 0.249 -13.567 1.00 1.05 H new ATOM 0 HB2 GLN A 65 16.303 1.253 -16.404 1.00 1.31 H new ATOM 0 HB3 GLN A 65 17.092 -0.136 -15.683 1.00 1.31 H new ATOM 0 HG2 GLN A 65 14.115 0.154 -16.204 1.00 1.37 H new ATOM 0 HG3 GLN A 65 15.237 -0.807 -17.146 1.00 1.37 H new ATOM 0 HE21 GLN A 65 16.755 -1.714 -14.739 1.00 2.57 H new ATOM 0 HE22 GLN A 65 15.725 -2.936 -13.986 1.00 2.57 H new ATOM 1067 N ASP A 66 17.023 2.773 -12.936 1.00 0.93 N ATOM 1068 CA ASP A 66 18.096 3.682 -12.536 1.00 0.95 C ATOM 1069 C ASP A 66 18.659 3.288 -11.172 1.00 0.81 C ATOM 1070 O ASP A 66 19.618 3.887 -10.681 1.00 0.82 O ATOM 1071 CB ASP A 66 17.580 5.124 -12.506 1.00 1.06 C ATOM 1072 CG ASP A 66 18.687 6.148 -12.320 1.00 1.42 C ATOM 1073 OD1 ASP A 66 19.478 6.356 -13.264 1.00 2.13 O ATOM 1074 OD2 ASP A 66 18.765 6.758 -11.238 1.00 1.89 O ATOM 0 H ASP A 66 16.153 2.891 -12.416 1.00 0.93 H new ATOM 0 HA ASP A 66 18.900 3.611 -13.268 1.00 0.95 H new ATOM 0 HB2 ASP A 66 17.051 5.334 -13.436 1.00 1.06 H new ATOM 0 HB3 ASP A 66 16.857 5.228 -11.697 1.00 1.06 H new ATOM 1079 N GLU A 67 18.057 2.258 -10.583 1.00 0.73 N ATOM 1080 CA GLU A 67 18.451 1.740 -9.275 1.00 0.63 C ATOM 1081 C GLU A 67 18.139 2.729 -8.160 1.00 0.58 C ATOM 1082 O GLU A 67 18.940 2.926 -7.246 1.00 0.60 O ATOM 1083 CB GLU A 67 19.929 1.342 -9.235 1.00 0.68 C ATOM 1084 CG GLU A 67 20.210 0.001 -9.884 1.00 0.97 C ATOM 1085 CD GLU A 67 21.623 -0.484 -9.639 1.00 1.42 C ATOM 1086 OE1 GLU A 67 21.849 -1.180 -8.622 1.00 2.02 O ATOM 1087 OE2 GLU A 67 22.513 -0.185 -10.461 1.00 2.01 O ATOM 0 H GLU A 67 17.276 1.755 -11.003 1.00 0.73 H new ATOM 0 HA GLU A 67 17.858 0.841 -9.109 1.00 0.63 H new ATOM 0 HB2 GLU A 67 20.518 2.110 -9.736 1.00 0.68 H new ATOM 0 HB3 GLU A 67 20.261 1.312 -8.197 1.00 0.68 H new ATOM 0 HG2 GLU A 67 19.506 -0.738 -9.501 1.00 0.97 H new ATOM 0 HG3 GLU A 67 20.038 0.079 -10.958 1.00 0.97 H new ATOM 1094 N GLN A 68 16.973 3.349 -8.242 1.00 0.61 N ATOM 1095 CA GLN A 68 16.493 4.203 -7.170 1.00 0.65 C ATOM 1096 C GLN A 68 14.969 4.220 -7.152 1.00 0.66 C ATOM 1097 O GLN A 68 14.328 4.640 -8.115 1.00 0.78 O ATOM 1098 CB GLN A 68 17.047 5.627 -7.302 1.00 0.85 C ATOM 1099 CG GLN A 68 16.684 6.318 -8.605 1.00 1.38 C ATOM 1100 CD GLN A 68 17.088 7.776 -8.623 1.00 1.63 C ATOM 1101 OE1 GLN A 68 18.087 8.170 -8.012 1.00 2.16 O ATOM 1102 NE2 GLN A 68 16.308 8.593 -9.310 1.00 2.07 N ATOM 0 H GLN A 68 16.342 3.276 -9.040 1.00 0.61 H new ATOM 0 HA GLN A 68 16.851 3.794 -6.225 1.00 0.65 H new ATOM 0 HB2 GLN A 68 16.678 6.227 -6.470 1.00 0.85 H new ATOM 0 HB3 GLN A 68 18.133 5.592 -7.212 1.00 0.85 H new ATOM 0 HG2 GLN A 68 17.168 5.801 -9.433 1.00 1.38 H new ATOM 0 HG3 GLN A 68 15.609 6.241 -8.766 1.00 1.38 H new ATOM 0 HE21 GLN A 68 15.492 8.227 -9.801 1.00 2.07 H new ATOM 0 HE22 GLN A 68 16.522 9.590 -9.349 1.00 2.07 H new ATOM 1111 N VAL A 69 14.395 3.752 -6.060 1.00 0.59 N ATOM 1112 CA VAL A 69 12.952 3.738 -5.906 1.00 0.64 C ATOM 1113 C VAL A 69 12.480 4.887 -5.020 1.00 0.64 C ATOM 1114 O VAL A 69 12.954 5.070 -3.900 1.00 0.68 O ATOM 1115 CB VAL A 69 12.444 2.393 -5.339 1.00 0.72 C ATOM 1116 CG1 VAL A 69 12.606 1.292 -6.374 1.00 1.81 C ATOM 1117 CG2 VAL A 69 13.170 2.023 -4.049 1.00 1.22 C ATOM 0 H VAL A 69 14.908 3.375 -5.263 1.00 0.59 H new ATOM 0 HA VAL A 69 12.530 3.865 -6.903 1.00 0.64 H new ATOM 0 HB VAL A 69 11.386 2.505 -5.104 1.00 0.72 H new ATOM 0 HG11 VAL A 69 12.245 0.350 -5.962 1.00 1.81 H new ATOM 0 HG12 VAL A 69 12.031 1.543 -7.265 1.00 1.81 H new ATOM 0 HG13 VAL A 69 13.659 1.193 -6.638 1.00 1.81 H new ATOM 0 HG21 VAL A 69 12.789 1.072 -3.677 1.00 1.22 H new ATOM 0 HG22 VAL A 69 14.238 1.934 -4.246 1.00 1.22 H new ATOM 0 HG23 VAL A 69 13.002 2.799 -3.302 1.00 1.22 H new ATOM 1127 N ASP A 70 11.563 5.674 -5.557 1.00 0.67 N ATOM 1128 CA ASP A 70 10.974 6.792 -4.832 1.00 0.73 C ATOM 1129 C ASP A 70 9.840 6.290 -3.942 1.00 0.64 C ATOM 1130 O ASP A 70 9.593 5.088 -3.881 1.00 0.56 O ATOM 1131 CB ASP A 70 10.438 7.820 -5.833 1.00 0.84 C ATOM 1132 CG ASP A 70 10.109 9.160 -5.209 1.00 1.38 C ATOM 1133 OD1 ASP A 70 11.032 9.984 -5.046 1.00 2.02 O ATOM 1134 OD2 ASP A 70 8.925 9.395 -4.886 1.00 1.99 O ATOM 0 H ASP A 70 11.205 5.558 -6.505 1.00 0.67 H new ATOM 0 HA ASP A 70 11.733 7.261 -4.206 1.00 0.73 H new ATOM 0 HB2 ASP A 70 11.177 7.967 -6.621 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.542 7.420 -6.307 1.00 0.84 H new ATOM 1139 N PHE A 71 9.135 7.193 -3.278 1.00 0.70 N ATOM 1140 CA PHE A 71 7.986 6.816 -2.468 1.00 0.66 C ATOM 1141 C PHE A 71 6.886 6.239 -3.352 1.00 0.55 C ATOM 1142 O PHE A 71 6.120 5.388 -2.922 1.00 0.48 O ATOM 1143 CB PHE A 71 7.459 8.018 -1.683 1.00 0.82 C ATOM 1144 CG PHE A 71 8.364 8.451 -0.560 1.00 1.12 C ATOM 1145 CD1 PHE A 71 9.520 9.171 -0.815 1.00 1.92 C ATOM 1146 CD2 PHE A 71 8.053 8.136 0.753 1.00 1.50 C ATOM 1147 CE1 PHE A 71 10.350 9.566 0.217 1.00 2.17 C ATOM 1148 CE2 PHE A 71 8.879 8.529 1.790 1.00 1.76 C ATOM 1149 CZ PHE A 71 10.029 9.245 1.522 1.00 1.76 C ATOM 0 H PHE A 71 9.338 8.193 -3.284 1.00 0.70 H new ATOM 0 HA PHE A 71 8.302 6.054 -1.756 1.00 0.66 H new ATOM 0 HB2 PHE A 71 7.318 8.854 -2.368 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.479 7.772 -1.274 1.00 0.82 H new ATOM 0 HD1 PHE A 71 9.776 9.427 -1.833 1.00 1.92 H new ATOM 0 HD2 PHE A 71 7.155 7.577 0.969 1.00 1.50 H new ATOM 0 HE1 PHE A 71 11.249 10.125 0.004 1.00 2.17 H new ATOM 0 HE2 PHE A 71 8.625 8.276 2.809 1.00 1.76 H new ATOM 0 HZ PHE A 71 10.676 9.553 2.330 1.00 1.76 H new ATOM 1159 N GLN A 72 6.827 6.704 -4.598 1.00 0.59 N ATOM 1160 CA GLN A 72 5.884 6.164 -5.576 1.00 0.56 C ATOM 1161 C GLN A 72 6.242 4.723 -5.929 1.00 0.49 C ATOM 1162 O GLN A 72 5.374 3.858 -6.066 1.00 0.47 O ATOM 1163 CB GLN A 72 5.874 7.023 -6.842 1.00 0.69 C ATOM 1164 CG GLN A 72 5.089 6.399 -7.985 1.00 0.74 C ATOM 1165 CD GLN A 72 5.086 7.254 -9.233 1.00 1.08 C ATOM 1166 OE1 GLN A 72 5.987 7.163 -10.069 1.00 1.66 O ATOM 1167 NE2 GLN A 72 4.056 8.064 -9.386 1.00 1.66 N ATOM 0 H GLN A 72 7.420 7.453 -4.955 1.00 0.59 H new ATOM 0 HA GLN A 72 4.889 6.179 -5.132 1.00 0.56 H new ATOM 0 HB2 GLN A 72 5.448 7.999 -6.608 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.901 7.193 -7.166 1.00 0.69 H new ATOM 0 HG2 GLN A 72 5.514 5.423 -8.220 1.00 0.74 H new ATOM 0 HG3 GLN A 72 4.061 6.230 -7.664 1.00 0.74 H new ATOM 0 HE21 GLN A 72 3.332 8.109 -8.669 1.00 1.66 H new ATOM 0 HE22 GLN A 72 3.984 8.645 -10.221 1.00 1.66 H new ATOM 1176 N GLU A 73 7.525 4.467 -6.066 1.00 0.49 N ATOM 1177 CA GLU A 73 8.003 3.138 -6.390 1.00 0.46 C ATOM 1178 C GLU A 73 7.946 2.250 -5.156 1.00 0.36 C ATOM 1179 O GLU A 73 7.718 1.046 -5.244 1.00 0.32 O ATOM 1180 CB GLU A 73 9.408 3.239 -6.971 1.00 0.56 C ATOM 1181 CG GLU A 73 9.419 4.014 -8.279 1.00 0.78 C ATOM 1182 CD GLU A 73 10.787 4.520 -8.668 1.00 1.15 C ATOM 1183 OE1 GLU A 73 11.145 5.642 -8.248 1.00 1.99 O ATOM 1184 OE2 GLU A 73 11.492 3.830 -9.419 1.00 1.82 O ATOM 0 H GLU A 73 8.261 5.165 -5.958 1.00 0.49 H new ATOM 0 HA GLU A 73 7.364 2.677 -7.143 1.00 0.46 H new ATOM 0 HB2 GLU A 73 10.065 3.728 -6.252 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.806 2.238 -7.137 1.00 0.56 H new ATOM 0 HG2 GLU A 73 9.037 3.374 -9.075 1.00 0.78 H new ATOM 0 HG3 GLU A 73 8.737 4.860 -8.196 1.00 0.78 H new ATOM 1191 N PHE A 74 8.106 2.861 -3.997 1.00 0.37 N ATOM 1192 CA PHE A 74 7.906 2.163 -2.741 1.00 0.34 C ATOM 1193 C PHE A 74 6.417 1.909 -2.529 1.00 0.32 C ATOM 1194 O PHE A 74 6.024 1.011 -1.792 1.00 0.33 O ATOM 1195 CB PHE A 74 8.477 2.986 -1.586 1.00 0.43 C ATOM 1196 CG PHE A 74 8.501 2.250 -0.277 1.00 0.78 C ATOM 1197 CD1 PHE A 74 9.388 1.206 -0.072 1.00 1.31 C ATOM 1198 CD2 PHE A 74 7.645 2.607 0.752 1.00 1.44 C ATOM 1199 CE1 PHE A 74 9.421 0.530 1.132 1.00 1.77 C ATOM 1200 CE2 PHE A 74 7.673 1.934 1.958 1.00 1.92 C ATOM 1201 CZ PHE A 74 8.563 0.895 2.149 1.00 1.89 C ATOM 0 H PHE A 74 8.374 3.840 -3.899 1.00 0.37 H new ATOM 0 HA PHE A 74 8.427 1.206 -2.773 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.491 3.295 -1.838 1.00 0.43 H new ATOM 0 HB3 PHE A 74 7.886 3.895 -1.471 1.00 0.43 H new ATOM 0 HD1 PHE A 74 10.063 0.917 -0.864 1.00 1.31 H new ATOM 0 HD2 PHE A 74 6.948 3.420 0.610 1.00 1.44 H new ATOM 0 HE1 PHE A 74 10.117 -0.283 1.277 1.00 1.77 H new ATOM 0 HE2 PHE A 74 6.999 2.220 2.752 1.00 1.92 H new ATOM 0 HZ PHE A 74 8.587 0.370 3.092 1.00 1.89 H new ATOM 1211 N ILE A 75 5.598 2.692 -3.216 1.00 0.33 N ATOM 1212 CA ILE A 75 4.156 2.538 -3.168 1.00 0.35 C ATOM 1213 C ILE A 75 3.773 1.215 -3.808 1.00 0.34 C ATOM 1214 O ILE A 75 2.966 0.454 -3.268 1.00 0.36 O ATOM 1215 CB ILE A 75 3.456 3.730 -3.873 1.00 0.41 C ATOM 1216 CG1 ILE A 75 2.958 4.739 -2.844 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.316 3.275 -4.769 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.658 6.088 -3.447 1.00 0.67 C ATOM 0 H ILE A 75 5.916 3.450 -3.820 1.00 0.33 H new ATOM 0 HA ILE A 75 3.824 2.534 -2.130 1.00 0.35 H new ATOM 0 HB ILE A 75 4.197 4.211 -4.512 1.00 0.41 H new ATOM 0 HG12 ILE A 75 2.058 4.351 -2.367 1.00 0.49 H new ATOM 0 HG13 ILE A 75 3.709 4.854 -2.062 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.856 4.143 -5.241 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.702 2.606 -5.538 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.571 2.750 -4.171 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.307 6.765 -2.668 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.563 6.493 -3.900 1.00 0.67 H new ATOM 0 HD13 ILE A 75 1.887 5.982 -4.210 1.00 0.67 H new ATOM 1230 N SER A 76 4.388 0.927 -4.948 1.00 0.34 N ATOM 1231 CA SER A 76 4.207 -0.359 -5.581 1.00 0.36 C ATOM 1232 C SER A 76 4.796 -1.471 -4.711 1.00 0.31 C ATOM 1233 O SER A 76 4.270 -2.573 -4.683 1.00 0.33 O ATOM 1234 CB SER A 76 4.808 -0.358 -6.985 1.00 0.45 C ATOM 1235 OG SER A 76 5.931 0.506 -7.073 1.00 0.74 O ATOM 0 H SER A 76 5.010 1.565 -5.444 1.00 0.34 H new ATOM 0 HA SER A 76 3.139 -0.553 -5.684 1.00 0.36 H new ATOM 0 HB2 SER A 76 5.106 -1.371 -7.254 1.00 0.45 H new ATOM 0 HB3 SER A 76 4.051 -0.046 -7.705 1.00 0.45 H new ATOM 0 HG SER A 76 6.405 0.515 -6.215 1.00 0.74 H new ATOM 1241 N LEU A 77 5.863 -1.164 -3.973 1.00 0.28 N ATOM 1242 CA LEU A 77 6.458 -2.126 -3.042 1.00 0.26 C ATOM 1243 C LEU A 77 5.413 -2.588 -2.031 1.00 0.23 C ATOM 1244 O LEU A 77 5.281 -3.781 -1.757 1.00 0.23 O ATOM 1245 CB LEU A 77 7.674 -1.491 -2.332 1.00 0.30 C ATOM 1246 CG LEU A 77 8.358 -2.305 -1.211 1.00 0.38 C ATOM 1247 CD1 LEU A 77 7.577 -2.239 0.097 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.562 -3.749 -1.632 1.00 1.15 C ATOM 0 H LEU A 77 6.333 -0.259 -4.001 1.00 0.28 H new ATOM 0 HA LEU A 77 6.804 -2.998 -3.597 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.425 -1.267 -3.090 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.355 -0.539 -1.908 1.00 0.30 H new ATOM 0 HG LEU A 77 9.334 -1.852 -1.038 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.092 -2.825 0.858 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.503 -1.202 0.425 1.00 1.11 H new ATOM 0 HD13 LEU A 77 6.576 -2.643 -0.056 1.00 1.11 H new ATOM 0 HD21 LEU A 77 9.045 -4.299 -0.824 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.596 -4.203 -1.853 1.00 1.15 H new ATOM 0 HD23 LEU A 77 9.191 -3.783 -2.521 1.00 1.15 H new ATOM 1260 N VAL A 78 4.664 -1.636 -1.493 1.00 0.24 N ATOM 1261 CA VAL A 78 3.648 -1.943 -0.499 1.00 0.25 C ATOM 1262 C VAL A 78 2.528 -2.747 -1.131 1.00 0.27 C ATOM 1263 O VAL A 78 1.886 -3.540 -0.472 1.00 0.28 O ATOM 1264 CB VAL A 78 3.062 -0.669 0.131 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.214 -1.013 1.343 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.174 0.294 0.504 1.00 0.31 C ATOM 0 H VAL A 78 4.741 -0.646 -1.728 1.00 0.24 H new ATOM 0 HA VAL A 78 4.128 -2.524 0.288 1.00 0.25 H new ATOM 0 HB VAL A 78 2.419 -0.182 -0.603 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.808 -0.098 1.775 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.395 -1.666 1.041 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.829 -1.522 2.085 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.744 1.191 0.949 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.842 -0.182 1.221 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.735 0.565 -0.390 1.00 0.31 H new ATOM 1276 N ALA A 79 2.308 -2.541 -2.417 1.00 0.31 N ATOM 1277 CA ALA A 79 1.343 -3.333 -3.160 1.00 0.35 C ATOM 1278 C ALA A 79 1.775 -4.795 -3.168 1.00 0.33 C ATOM 1279 O ALA A 79 0.970 -5.704 -2.947 1.00 0.33 O ATOM 1280 CB ALA A 79 1.222 -2.801 -4.578 1.00 0.43 C ATOM 0 H ALA A 79 2.786 -1.830 -2.970 1.00 0.31 H new ATOM 0 HA ALA A 79 0.367 -3.261 -2.680 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.497 -3.399 -5.130 1.00 0.43 H new ATOM 0 HB2 ALA A 79 0.890 -1.763 -4.550 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.192 -2.859 -5.072 1.00 0.43 H new ATOM 1286 N ILE A 80 3.063 -5.006 -3.412 1.00 0.32 N ATOM 1287 CA ILE A 80 3.667 -6.329 -3.324 1.00 0.32 C ATOM 1288 C ILE A 80 3.478 -6.892 -1.920 1.00 0.28 C ATOM 1289 O ILE A 80 3.045 -8.030 -1.737 1.00 0.31 O ATOM 1290 CB ILE A 80 5.190 -6.284 -3.648 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.456 -6.256 -5.158 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.919 -7.467 -3.019 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.857 -5.076 -5.886 1.00 0.40 C ATOM 0 H ILE A 80 3.716 -4.268 -3.675 1.00 0.32 H new ATOM 0 HA ILE A 80 3.174 -6.967 -4.057 1.00 0.32 H new ATOM 0 HB ILE A 80 5.574 -5.358 -3.219 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.533 -6.258 -5.323 1.00 0.38 H new ATOM 0 HG13 ILE A 80 5.065 -7.173 -5.598 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.980 -7.411 -3.261 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.792 -7.439 -1.937 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.507 -8.398 -3.409 1.00 0.36 H new ATOM 0 HD11 ILE A 80 5.098 -5.143 -6.947 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.774 -5.081 -5.759 1.00 0.40 H new ATOM 0 HD13 ILE A 80 5.266 -4.151 -5.479 1.00 0.40 H new ATOM 1305 N ALA A 81 3.788 -6.063 -0.939 1.00 0.23 N ATOM 1306 CA ALA A 81 3.798 -6.469 0.453 1.00 0.23 C ATOM 1307 C ALA A 81 2.390 -6.729 0.995 1.00 0.23 C ATOM 1308 O ALA A 81 2.191 -7.610 1.826 1.00 0.28 O ATOM 1309 CB ALA A 81 4.519 -5.413 1.266 1.00 0.24 C ATOM 0 H ALA A 81 4.041 -5.086 -1.087 1.00 0.23 H new ATOM 0 HA ALA A 81 4.328 -7.418 0.535 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.533 -5.708 2.315 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.542 -5.311 0.904 1.00 0.24 H new ATOM 0 HB3 ALA A 81 4.002 -4.459 1.164 1.00 0.24 H new ATOM 1315 N LEU A 82 1.421 -5.970 0.512 1.00 0.22 N ATOM 1316 CA LEU A 82 0.036 -6.137 0.924 1.00 0.23 C ATOM 1317 C LEU A 82 -0.509 -7.469 0.451 1.00 0.24 C ATOM 1318 O LEU A 82 -1.223 -8.156 1.185 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.833 -5.007 0.382 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.619 -3.647 1.041 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.418 -2.593 0.312 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -1.013 -3.691 2.509 1.00 0.31 C ATOM 0 H LEU A 82 1.569 -5.227 -0.171 1.00 0.22 H new ATOM 0 HA LEU A 82 0.010 -6.110 2.013 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.646 -4.908 -0.687 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -1.880 -5.288 0.498 1.00 0.25 H new ATOM 0 HG LEU A 82 0.440 -3.394 0.983 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.261 -1.624 0.787 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.093 -2.544 -0.727 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.477 -2.848 0.350 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.852 -2.711 2.958 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -2.065 -3.962 2.595 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.404 -4.432 3.027 1.00 0.31 H new ATOM 1334 N LYS A 83 -0.181 -7.847 -0.774 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.611 -9.145 -1.257 1.00 0.33 C ATOM 1336 C LYS A 83 0.250 -10.242 -0.667 1.00 0.31 C ATOM 1337 O LYS A 83 -0.209 -11.357 -0.482 1.00 0.44 O ATOM 1338 CB LYS A 83 -0.619 -9.240 -2.770 1.00 0.42 C ATOM 1339 CG LYS A 83 -1.998 -9.556 -3.299 1.00 0.66 C ATOM 1340 CD LYS A 83 -1.977 -9.924 -4.762 1.00 1.04 C ATOM 1341 CE LYS A 83 -3.301 -10.545 -5.146 1.00 0.80 C ATOM 1342 NZ LYS A 83 -3.352 -10.924 -6.583 1.00 1.67 N ATOM 0 H LYS A 83 0.365 -7.292 -1.433 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.642 -9.274 -0.927 1.00 0.33 H new ATOM 0 HB2 LYS A 83 -0.272 -8.299 -3.196 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.080 -10.012 -3.091 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -2.426 -10.378 -2.725 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -2.648 -8.693 -3.152 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -1.790 -9.038 -5.368 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -1.164 -10.623 -4.960 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -3.476 -11.429 -4.533 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -4.106 -9.842 -4.929 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -4.278 -11.345 -6.798 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -3.212 -10.077 -7.171 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -2.602 -11.615 -6.787 1.00 1.67 H new ATOM 1356 N ALA A 84 1.506 -9.935 -0.393 1.00 0.31 N ATOM 1357 CA ALA A 84 2.326 -10.814 0.424 1.00 0.35 C ATOM 1358 C ALA A 84 1.652 -11.104 1.771 1.00 0.33 C ATOM 1359 O ALA A 84 1.911 -12.132 2.390 1.00 0.40 O ATOM 1360 CB ALA A 84 3.690 -10.196 0.646 1.00 0.48 C ATOM 0 H ALA A 84 1.977 -9.092 -0.720 1.00 0.31 H new ATOM 0 HA ALA A 84 2.444 -11.759 -0.107 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.296 -10.863 1.259 1.00 0.48 H new ATOM 0 HB2 ALA A 84 4.180 -10.041 -0.315 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.577 -9.238 1.154 1.00 0.48 H new ATOM 1366 N ALA A 85 0.797 -10.188 2.221 1.00 0.30 N ATOM 1367 CA ALA A 85 0.066 -10.365 3.472 1.00 0.38 C ATOM 1368 C ALA A 85 -1.193 -11.221 3.287 1.00 0.44 C ATOM 1369 O ALA A 85 -1.378 -12.207 3.994 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.291 -9.015 4.076 1.00 0.43 C ATOM 0 H ALA A 85 0.594 -9.314 1.736 1.00 0.30 H new ATOM 0 HA ALA A 85 0.723 -10.898 4.159 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -0.836 -9.166 5.008 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.621 -8.453 4.276 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -0.915 -8.457 3.377 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.062 -10.852 2.345 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.318 -11.591 2.145 1.00 0.59 C ATOM 1378 C HIS A 86 -3.085 -12.827 1.280 1.00 0.63 C ATOM 1379 O HIS A 86 -3.325 -13.955 1.700 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.385 -10.711 1.491 1.00 0.69 C ATOM 1381 CG HIS A 86 -5.763 -11.304 1.564 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -6.441 -11.787 0.464 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -6.592 -11.490 2.620 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -7.622 -12.241 0.840 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -7.738 -12.072 2.141 1.00 2.68 N ATOM 0 H HIS A 86 -1.927 -10.060 1.716 1.00 0.44 H new ATOM 0 HA HIS A 86 -3.672 -11.898 3.129 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -4.390 -9.735 1.976 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.122 -10.547 0.446 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -6.388 -11.229 3.648 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -8.367 -12.677 0.191 1.00 2.66 H new ATOM 0 HE2 HIS A 86 -8.549 -12.332 2.702 1.00 2.68 H new ATOM 1394 N TYR A 87 -2.591 -12.584 0.078 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.259 -13.624 -0.900 1.00 0.65 C ATOM 1396 C TYR A 87 -0.963 -14.339 -0.504 1.00 0.62 C ATOM 1397 O TYR A 87 -0.232 -14.835 -1.363 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.148 -13.021 -2.307 1.00 0.69 C ATOM 1399 CG TYR A 87 -2.111 -14.043 -3.429 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.208 -14.851 -3.704 1.00 1.62 C ATOM 1401 CD2 TYR A 87 -0.978 -14.191 -4.217 1.00 1.44 C ATOM 1402 CE1 TYR A 87 -3.174 -15.776 -4.731 1.00 1.80 C ATOM 1403 CE2 TYR A 87 -0.935 -15.113 -5.243 1.00 1.55 C ATOM 1404 CZ TYR A 87 -2.035 -15.903 -5.497 1.00 1.29 C ATOM 1405 OH TYR A 87 -1.995 -16.822 -6.521 1.00 1.52 O ATOM 0 H TYR A 87 -2.403 -11.640 -0.259 1.00 0.58 H new ATOM 0 HA TYR A 87 -3.061 -14.362 -0.910 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -2.993 -12.352 -2.470 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.245 -12.412 -2.357 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -4.102 -14.755 -3.105 1.00 1.62 H new ATOM 0 HD2 TYR A 87 -0.114 -13.573 -4.024 1.00 1.44 H new ATOM 0 HE1 TYR A 87 -4.035 -16.396 -4.932 1.00 1.80 H new ATOM 0 HE2 TYR A 87 -0.043 -15.215 -5.844 1.00 1.55 H new ATOM 0 HH TYR A 87 -1.121 -16.783 -6.962 1.00 1.52 H new ATOM 1415 N HIS A 88 -0.643 -14.272 0.793 1.00 0.59 N ATOM 1416 CA HIS A 88 0.583 -14.831 1.398 1.00 0.62 C ATOM 1417 C HIS A 88 0.889 -16.292 1.024 1.00 0.69 C ATOM 1418 O HIS A 88 1.730 -16.923 1.662 1.00 0.75 O ATOM 1419 CB HIS A 88 0.499 -14.730 2.931 1.00 0.65 C ATOM 1420 CG HIS A 88 -0.666 -15.457 3.550 1.00 1.54 C ATOM 1421 ND1 HIS A 88 -1.631 -14.822 4.303 1.00 2.37 N ATOM 1422 CD2 HIS A 88 -1.010 -16.769 3.540 1.00 2.40 C ATOM 1423 CE1 HIS A 88 -2.514 -15.707 4.726 1.00 3.25 C ATOM 1424 NE2 HIS A 88 -2.159 -16.893 4.277 1.00 3.26 N ATOM 0 H HIS A 88 -1.246 -13.814 1.477 1.00 0.59 H new ATOM 0 HA HIS A 88 1.397 -14.231 0.990 1.00 0.62 H new ATOM 0 HB2 HIS A 88 1.422 -15.122 3.358 1.00 0.65 H new ATOM 0 HB3 HIS A 88 0.441 -13.678 3.209 1.00 0.65 H new ATOM 0 HD1 HIS A 88 -1.658 -13.822 4.502 1.00 2.37 H new ATOM 0 HD2 HIS A 88 -0.478 -17.567 3.044 1.00 2.40 H new ATOM 0 HE1 HIS A 88 -3.380 -15.495 5.336 1.00 3.25 H new ATOM 1433 N THR A 89 0.229 -16.832 0.018 1.00 0.73 N ATOM 1434 CA THR A 89 0.553 -18.164 -0.451 1.00 0.81 C ATOM 1435 C THR A 89 1.858 -18.088 -1.240 1.00 0.72 C ATOM 1436 O THR A 89 2.720 -18.961 -1.136 1.00 1.05 O ATOM 1437 CB THR A 89 -0.591 -18.759 -1.312 1.00 0.97 C ATOM 1438 OG1 THR A 89 -0.226 -20.050 -1.814 1.00 1.26 O ATOM 1439 CG2 THR A 89 -0.947 -17.841 -2.474 1.00 0.89 C ATOM 0 H THR A 89 -0.529 -16.373 -0.487 1.00 0.73 H new ATOM 0 HA THR A 89 0.675 -18.831 0.402 1.00 0.81 H new ATOM 0 HB THR A 89 -1.466 -18.857 -0.669 1.00 0.97 H new ATOM 0 HG1 THR A 89 -0.960 -20.411 -2.354 1.00 1.26 H new ATOM 0 HG21 THR A 89 -1.752 -18.288 -3.057 1.00 0.89 H new ATOM 0 HG22 THR A 89 -1.272 -16.875 -2.088 1.00 0.89 H new ATOM 0 HG23 THR A 89 -0.072 -17.703 -3.110 1.00 0.89 H new ATOM 1447 N HIS A 90 1.986 -16.997 -2.000 1.00 0.65 N ATOM 1448 CA HIS A 90 3.183 -16.657 -2.767 1.00 0.64 C ATOM 1449 C HIS A 90 2.854 -15.525 -3.721 1.00 0.93 C ATOM 1450 O HIS A 90 2.602 -15.745 -4.903 1.00 1.77 O ATOM 1451 CB HIS A 90 3.781 -17.846 -3.561 1.00 0.91 C ATOM 1452 CG HIS A 90 2.823 -18.587 -4.461 1.00 1.72 C ATOM 1453 ND1 HIS A 90 2.772 -18.401 -5.827 1.00 2.44 N ATOM 1454 CD2 HIS A 90 1.897 -19.536 -4.185 1.00 2.68 C ATOM 1455 CE1 HIS A 90 1.858 -19.197 -6.346 1.00 3.33 C ATOM 1456 NE2 HIS A 90 1.313 -19.895 -5.372 1.00 3.47 N ATOM 0 H HIS A 90 1.239 -16.309 -2.100 1.00 0.65 H new ATOM 0 HA HIS A 90 3.944 -16.360 -2.045 1.00 0.64 H new ATOM 0 HB2 HIS A 90 4.606 -17.474 -4.169 1.00 0.91 H new ATOM 0 HB3 HIS A 90 4.204 -18.556 -2.850 1.00 0.91 H new ATOM 0 HD2 HIS A 90 1.662 -19.936 -3.210 1.00 2.68 H new ATOM 0 HE1 HIS A 90 1.600 -19.265 -7.393 1.00 3.33 H new ATOM 0 HE2 HIS A 90 0.575 -20.591 -5.483 1.00 3.47 H new ATOM 1578 N GLU B 5 4.814 -5.305 9.654 1.00 1.20 N ATOM 1579 CA GLU B 5 3.870 -6.367 9.323 1.00 0.94 C ATOM 1580 C GLU B 5 2.459 -5.945 9.730 1.00 0.69 C ATOM 1581 O GLU B 5 1.501 -6.121 8.980 1.00 0.69 O ATOM 1582 CB GLU B 5 4.272 -7.658 10.048 1.00 1.39 C ATOM 1583 CG GLU B 5 3.271 -8.798 9.918 1.00 1.80 C ATOM 1584 CD GLU B 5 3.176 -9.357 8.513 1.00 2.48 C ATOM 1585 OE1 GLU B 5 4.067 -10.141 8.125 1.00 3.00 O ATOM 1586 OE2 GLU B 5 2.206 -9.032 7.804 1.00 3.10 O ATOM 0 HA GLU B 5 3.886 -6.548 8.248 1.00 0.94 H new ATOM 0 HB2 GLU B 5 5.235 -7.992 9.661 1.00 1.39 H new ATOM 0 HB3 GLU B 5 4.414 -7.436 11.106 1.00 1.39 H new ATOM 0 HG2 GLU B 5 3.553 -9.599 10.602 1.00 1.80 H new ATOM 0 HG3 GLU B 5 2.287 -8.445 10.228 1.00 1.80 H new ATOM 1593 N GLU B 6 2.356 -5.344 10.913 1.00 0.68 N ATOM 1594 CA GLU B 6 1.086 -4.849 11.433 1.00 0.67 C ATOM 1595 C GLU B 6 0.477 -3.809 10.493 1.00 0.54 C ATOM 1596 O GLU B 6 -0.737 -3.626 10.447 1.00 0.60 O ATOM 1597 CB GLU B 6 1.297 -4.235 12.821 1.00 0.78 C ATOM 1598 CG GLU B 6 0.030 -3.686 13.454 1.00 1.06 C ATOM 1599 CD GLU B 6 0.303 -2.955 14.748 1.00 1.78 C ATOM 1600 OE1 GLU B 6 0.545 -1.731 14.702 1.00 2.51 O ATOM 1601 OE2 GLU B 6 0.271 -3.597 15.821 1.00 2.48 O ATOM 0 H GLU B 6 3.149 -5.187 11.536 1.00 0.68 H new ATOM 0 HA GLU B 6 0.395 -5.689 11.507 1.00 0.67 H new ATOM 0 HB2 GLU B 6 1.722 -4.992 13.481 1.00 0.78 H new ATOM 0 HB3 GLU B 6 2.030 -3.432 12.744 1.00 0.78 H new ATOM 0 HG2 GLU B 6 -0.459 -3.009 12.754 1.00 1.06 H new ATOM 0 HG3 GLU B 6 -0.664 -4.506 13.642 1.00 1.06 H new ATOM 1608 N HIS B 7 1.326 -3.144 9.728 1.00 0.42 N ATOM 1609 CA HIS B 7 0.872 -2.107 8.822 1.00 0.38 C ATOM 1610 C HIS B 7 0.282 -2.733 7.566 1.00 0.35 C ATOM 1611 O HIS B 7 -0.841 -2.408 7.184 1.00 0.39 O ATOM 1612 CB HIS B 7 2.014 -1.146 8.476 1.00 0.43 C ATOM 1613 CG HIS B 7 2.494 -0.340 9.648 1.00 0.95 C ATOM 1614 ND1 HIS B 7 2.482 1.038 9.675 1.00 1.73 N ATOM 1615 CD2 HIS B 7 3.008 -0.730 10.841 1.00 1.60 C ATOM 1616 CE1 HIS B 7 2.964 1.455 10.835 1.00 2.16 C ATOM 1617 NE2 HIS B 7 3.290 0.402 11.555 1.00 2.03 N ATOM 0 H HIS B 7 2.333 -3.305 9.717 1.00 0.42 H new ATOM 0 HA HIS B 7 0.093 -1.527 9.317 1.00 0.38 H new ATOM 0 HB2 HIS B 7 2.849 -1.718 8.072 1.00 0.43 H new ATOM 0 HB3 HIS B 7 1.682 -0.468 7.690 1.00 0.43 H new ATOM 0 HD2 HIS B 7 3.166 -1.747 11.167 1.00 1.60 H new ATOM 0 HE1 HIS B 7 3.072 2.486 11.140 1.00 2.16 H new ATOM 0 HE2 HIS B 7 3.688 0.426 12.494 1.00 2.03 H new ATOM 1626 N LEU B 8 1.030 -3.651 6.955 1.00 0.34 N ATOM 1627 CA LEU B 8 0.560 -4.379 5.774 1.00 0.33 C ATOM 1628 C LEU B 8 -0.666 -5.211 6.109 1.00 0.34 C ATOM 1629 O LEU B 8 -1.747 -5.008 5.550 1.00 0.34 O ATOM 1630 CB LEU B 8 1.652 -5.311 5.265 1.00 0.33 C ATOM 1631 CG LEU B 8 2.964 -4.627 4.896 1.00 0.33 C ATOM 1632 CD1 LEU B 8 3.976 -5.650 4.432 1.00 0.33 C ATOM 1633 CD2 LEU B 8 2.737 -3.571 3.826 1.00 0.33 C ATOM 0 H LEU B 8 1.969 -3.910 7.259 1.00 0.34 H new ATOM 0 HA LEU B 8 0.305 -3.646 5.008 1.00 0.33 H new ATOM 0 HB2 LEU B 8 1.854 -6.061 6.029 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.277 -5.841 4.389 1.00 0.33 H new ATOM 0 HG LEU B 8 3.357 -4.130 5.783 1.00 0.33 H new ATOM 0 HD11 LEU B 8 4.908 -5.148 4.172 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.161 -6.367 5.232 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.589 -6.173 3.558 1.00 0.33 H new ATOM 0 HD21 LEU B 8 3.686 -3.095 3.577 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.322 -4.040 2.934 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.041 -2.819 4.198 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.488 -6.131 7.047 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.542 -7.045 7.445 1.00 0.40 C ATOM 1647 C GLU B 9 -2.736 -6.279 8.000 1.00 0.40 C ATOM 1648 O GLU B 9 -3.879 -6.696 7.842 1.00 0.42 O ATOM 1649 CB GLU B 9 -1.015 -8.021 8.496 1.00 0.48 C ATOM 1650 CG GLU B 9 -2.006 -9.107 8.862 1.00 1.24 C ATOM 1651 CD GLU B 9 -1.582 -9.890 10.085 1.00 1.72 C ATOM 1652 OE1 GLU B 9 -1.787 -9.392 11.214 1.00 2.41 O ATOM 1653 OE2 GLU B 9 -1.057 -11.010 9.928 1.00 2.16 O ATOM 0 H GLU B 9 0.389 -6.262 7.550 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.867 -7.603 6.567 1.00 0.40 H new ATOM 0 HB2 GLU B 9 -0.101 -8.484 8.124 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -0.748 -7.465 9.395 1.00 0.48 H new ATOM 0 HG2 GLU B 9 -2.982 -8.657 9.043 1.00 1.24 H new ATOM 0 HG3 GLU B 9 -2.120 -9.789 8.019 1.00 1.24 H new ATOM 1660 N GLY B 10 -2.456 -5.155 8.644 1.00 0.41 N ATOM 1661 CA GLY B 10 -3.504 -4.335 9.218 1.00 0.43 C ATOM 1662 C GLY B 10 -4.390 -3.706 8.165 1.00 0.39 C ATOM 1663 O GLY B 10 -5.602 -3.601 8.353 1.00 0.44 O ATOM 0 H GLY B 10 -1.512 -4.793 8.780 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -4.114 -4.945 9.884 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -3.055 -3.550 9.826 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.788 -3.285 7.057 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.540 -2.721 5.941 1.00 0.33 C ATOM 1669 C ILE B 11 -5.406 -3.806 5.307 1.00 0.33 C ATOM 1670 O ILE B 11 -6.571 -3.588 4.975 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.594 -2.117 4.876 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.881 -0.876 5.424 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.357 -1.771 3.607 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -3.806 0.285 5.725 1.00 1.16 C ATOM 0 H ILE B 11 -2.780 -3.324 6.908 1.00 0.34 H new ATOM 0 HA ILE B 11 -5.173 -1.921 6.325 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.842 -2.867 4.631 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -2.349 -1.149 6.335 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -2.132 -0.552 4.702 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.670 -1.348 2.874 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.813 -2.673 3.199 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -5.135 -1.043 3.837 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -3.225 1.123 6.109 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -4.320 0.587 4.812 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -4.540 -0.019 6.471 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.822 -4.980 5.170 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.519 -6.136 4.631 1.00 0.38 C ATOM 1688 C VAL B 12 -6.680 -6.556 5.534 1.00 0.40 C ATOM 1689 O VAL B 12 -7.796 -6.799 5.066 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.526 -7.296 4.451 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.243 -8.606 4.182 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.574 -6.965 3.321 1.00 0.48 C ATOM 0 H VAL B 12 -3.852 -5.162 5.428 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.940 -5.868 3.662 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.964 -7.422 5.376 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.510 -9.404 4.060 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.899 -8.841 5.021 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.836 -8.516 3.272 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.867 -7.784 3.189 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -4.139 -6.821 2.400 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -3.030 -6.051 3.560 1.00 0.48 H new ATOM 1702 N ASN B 13 -6.411 -6.614 6.830 1.00 0.42 N ATOM 1703 CA ASN B 13 -7.408 -7.016 7.815 1.00 0.49 C ATOM 1704 C ASN B 13 -8.561 -6.020 7.876 1.00 0.48 C ATOM 1705 O ASN B 13 -9.726 -6.412 7.976 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.756 -7.150 9.196 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.750 -7.502 10.288 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -8.314 -6.621 10.932 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -7.964 -8.789 10.507 1.00 1.42 N ATOM 0 H ASN B 13 -5.500 -6.385 7.229 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.813 -7.981 7.511 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.983 -7.918 9.154 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -6.261 -6.213 9.451 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -8.618 -9.081 11.233 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -7.475 -9.489 9.950 1.00 1.42 H new ATOM 1716 N ILE B 14 -8.242 -4.733 7.795 1.00 0.48 N ATOM 1717 CA ILE B 14 -9.263 -3.701 7.907 1.00 0.57 C ATOM 1718 C ILE B 14 -10.162 -3.692 6.671 1.00 0.53 C ATOM 1719 O ILE B 14 -11.338 -3.332 6.753 1.00 0.61 O ATOM 1720 CB ILE B 14 -8.651 -2.297 8.143 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -9.705 -1.340 8.705 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -8.057 -1.727 6.864 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -10.184 -1.714 10.093 1.00 2.06 C ATOM 0 H ILE B 14 -7.294 -4.383 7.654 1.00 0.48 H new ATOM 0 HA ILE B 14 -9.868 -3.943 8.781 1.00 0.57 H new ATOM 0 HB ILE B 14 -7.846 -2.406 8.870 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -9.291 -0.332 8.732 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -10.560 -1.316 8.029 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -7.637 -0.742 7.066 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -7.271 -2.389 6.501 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -8.837 -1.641 6.107 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -10.929 -0.992 10.427 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -10.628 -2.709 10.069 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -9.340 -1.710 10.783 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.621 -4.116 5.528 1.00 0.48 N ATOM 1736 CA PHE B 15 -10.427 -4.234 4.322 1.00 0.59 C ATOM 1737 C PHE B 15 -11.397 -5.397 4.469 1.00 0.61 C ATOM 1738 O PHE B 15 -12.537 -5.334 4.018 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.542 -4.437 3.092 1.00 0.69 C ATOM 1740 CG PHE B 15 -10.307 -4.470 1.796 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -11.109 -3.402 1.423 1.00 1.75 C ATOM 1742 CD2 PHE B 15 -10.223 -5.563 0.952 1.00 1.93 C ATOM 1743 CE1 PHE B 15 -11.811 -3.427 0.233 1.00 2.35 C ATOM 1744 CE2 PHE B 15 -10.923 -5.593 -0.239 1.00 2.54 C ATOM 1745 CZ PHE B 15 -11.717 -4.523 -0.599 1.00 2.58 C ATOM 0 H PHE B 15 -8.642 -4.379 5.416 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.988 -3.310 4.185 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.805 -3.635 3.049 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -8.990 -5.371 3.202 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -11.186 -2.541 2.070 1.00 1.75 H new ATOM 0 HD2 PHE B 15 -9.603 -6.403 1.227 1.00 1.93 H new ATOM 0 HE1 PHE B 15 -12.433 -2.589 -0.045 1.00 2.35 H new ATOM 0 HE2 PHE B 15 -10.849 -6.453 -0.888 1.00 2.54 H new ATOM 0 HZ PHE B 15 -12.264 -4.544 -1.530 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.935 -6.447 5.131 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.763 -7.612 5.413 1.00 0.72 C ATOM 1757 C HIS B 16 -12.828 -7.264 6.459 1.00 0.75 C ATOM 1758 O HIS B 16 -13.826 -7.968 6.607 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.886 -8.780 5.891 1.00 0.77 C ATOM 1760 CG HIS B 16 -11.621 -10.081 6.044 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -11.679 -11.041 5.055 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -12.330 -10.581 7.085 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -12.393 -12.065 5.479 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -12.799 -11.812 6.707 1.00 2.23 N ATOM 0 H HIS B 16 -9.981 -6.517 5.486 1.00 0.60 H new ATOM 0 HA HIS B 16 -12.271 -7.917 4.498 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -10.069 -8.919 5.183 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -10.437 -8.515 6.848 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -12.495 -10.098 8.037 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -12.609 -12.960 4.915 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -13.369 -12.432 7.282 1.00 2.23 H new ATOM 1773 N GLN B 17 -12.591 -6.193 7.205 1.00 0.70 N ATOM 1774 CA GLN B 17 -13.536 -5.747 8.222 1.00 0.82 C ATOM 1775 C GLN B 17 -14.748 -5.069 7.576 1.00 0.93 C ATOM 1776 O GLN B 17 -15.884 -5.521 7.750 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.842 -4.793 9.205 1.00 0.85 C ATOM 1778 CG GLN B 17 -13.462 -4.765 10.599 1.00 1.27 C ATOM 1779 CD GLN B 17 -14.814 -4.079 10.655 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -15.088 -3.145 9.903 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -15.671 -4.543 11.552 1.00 2.77 N ATOM 0 H GLN B 17 -11.753 -5.617 7.126 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.891 -6.618 8.773 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -11.794 -5.080 9.292 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -12.863 -3.785 8.791 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -13.569 -5.788 10.959 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -12.779 -4.257 11.280 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -15.405 -5.320 12.157 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -16.597 -4.124 11.637 1.00 2.77 H new ATOM 1955 N LEU B 28 -17.627 -5.389 -1.223 1.00 1.15 N ATOM 1956 CA LEU B 28 -16.426 -5.197 -2.048 1.00 0.90 C ATOM 1957 C LEU B 28 -16.639 -4.050 -3.030 1.00 0.71 C ATOM 1958 O LEU B 28 -15.848 -3.846 -3.939 1.00 0.76 O ATOM 1959 CB LEU B 28 -16.027 -6.471 -2.826 1.00 1.66 C ATOM 1960 CG LEU B 28 -15.374 -7.607 -2.021 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -14.121 -7.120 -1.314 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -16.352 -8.219 -1.031 1.00 2.37 C ATOM 0 HA LEU B 28 -15.611 -4.960 -1.364 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -16.921 -6.868 -3.307 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -15.340 -6.181 -3.621 1.00 1.66 H new ATOM 0 HG LEU B 28 -15.085 -8.387 -2.726 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -13.678 -7.942 -0.752 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -13.405 -6.757 -2.051 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -14.380 -6.311 -0.631 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -15.858 -9.019 -0.479 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -16.692 -7.453 -0.334 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -17.208 -8.625 -1.569 1.00 2.37 H new ATOM 1974 N SER B 29 -17.703 -3.292 -2.832 1.00 0.61 N ATOM 1975 CA SER B 29 -18.071 -2.246 -3.767 1.00 0.48 C ATOM 1976 C SER B 29 -17.696 -0.864 -3.229 1.00 0.44 C ATOM 1977 O SER B 29 -17.022 -0.758 -2.199 1.00 0.53 O ATOM 1978 CB SER B 29 -19.563 -2.318 -4.080 1.00 0.55 C ATOM 1979 OG SER B 29 -20.349 -2.074 -2.920 1.00 1.35 O ATOM 0 H SER B 29 -18.328 -3.382 -2.031 1.00 0.61 H new ATOM 0 HA SER B 29 -17.513 -2.404 -4.690 1.00 0.48 H new ATOM 0 HB2 SER B 29 -19.811 -1.587 -4.849 1.00 0.55 H new ATOM 0 HB3 SER B 29 -19.804 -3.301 -4.485 1.00 0.55 H new ATOM 0 HG SER B 29 -19.886 -2.427 -2.131 1.00 1.35 H new ATOM 1985 N LYS B 30 -18.130 0.192 -3.913 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.776 1.545 -3.505 1.00 0.36 C ATOM 1987 C LYS B 30 -18.381 1.875 -2.144 1.00 0.36 C ATOM 1988 O LYS B 30 -17.858 2.715 -1.427 1.00 0.37 O ATOM 1989 CB LYS B 30 -18.233 2.580 -4.536 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.421 3.871 -4.492 1.00 0.41 C ATOM 1991 CD LYS B 30 -18.033 4.975 -5.347 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.513 4.457 -6.694 1.00 0.52 C ATOM 1993 NZ LYS B 30 -18.939 5.541 -7.620 1.00 1.32 N ATOM 0 H LYS B 30 -18.721 0.137 -4.743 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.689 1.587 -3.434 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -18.160 2.146 -5.533 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.284 2.813 -4.366 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -17.346 4.214 -3.460 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.406 3.670 -4.836 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -18.870 5.424 -4.813 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -17.296 5.762 -5.504 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -17.713 3.882 -7.161 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -19.347 3.773 -6.537 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -19.302 5.123 -8.500 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -19.687 6.107 -7.171 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -18.126 6.152 -7.837 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.480 1.204 -1.794 1.00 0.39 N ATOM 2008 CA GLY B 31 -20.117 1.424 -0.503 1.00 0.40 C ATOM 2009 C GLY B 31 -19.159 1.266 0.646 1.00 0.38 C ATOM 2010 O GLY B 31 -18.995 2.163 1.476 1.00 0.39 O ATOM 0 H GLY B 31 -19.941 0.511 -2.383 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.546 2.426 -0.479 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -20.942 0.721 -0.384 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.514 0.125 0.655 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.674 -0.293 1.753 1.00 0.50 C ATOM 2016 C GLU B 32 -16.354 0.443 1.731 1.00 0.42 C ATOM 2017 O GLU B 32 -15.818 0.817 2.776 1.00 0.44 O ATOM 2018 CB GLU B 32 -17.452 -1.792 1.656 1.00 0.67 C ATOM 2019 CG GLU B 32 -18.748 -2.588 1.707 1.00 0.96 C ATOM 2020 CD GLU B 32 -19.552 -2.525 0.422 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -19.089 -3.055 -0.602 1.00 2.10 O ATOM 2022 OE2 GLU B 32 -20.646 -1.932 0.437 1.00 2.43 O ATOM 0 H GLU B 32 -18.558 -0.549 -0.110 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.166 -0.056 2.696 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.930 -2.017 0.726 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -16.803 -2.111 2.471 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -18.516 -3.630 1.930 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -19.361 -2.215 2.528 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.842 0.648 0.531 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.637 1.420 0.343 1.00 0.34 C ATOM 2031 C LEU B 33 -14.866 2.835 0.846 1.00 0.30 C ATOM 2032 O LEU B 33 -14.072 3.367 1.603 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.270 1.441 -1.131 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.877 1.985 -1.445 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.810 1.071 -0.866 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.683 2.143 -2.943 1.00 0.46 C ATOM 0 H LEU B 33 -16.249 0.286 -0.331 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.818 0.968 0.903 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.343 0.426 -1.522 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -15.006 2.042 -1.664 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.783 2.968 -0.984 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.823 1.471 -1.098 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -11.932 1.009 0.215 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -11.909 0.076 -1.300 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.684 2.532 -3.142 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.799 1.174 -3.429 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.427 2.837 -3.335 1.00 0.46 H new ATOM 2048 N LYS B 34 -15.987 3.417 0.431 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.397 4.739 0.882 1.00 0.31 C ATOM 2050 C LYS B 34 -16.436 4.797 2.401 1.00 0.35 C ATOM 2051 O LYS B 34 -15.856 5.694 3.009 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.774 5.081 0.303 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.419 6.328 0.898 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.759 6.646 0.244 1.00 0.85 C ATOM 2055 CE LYS B 34 -20.920 5.902 0.893 1.00 1.30 C ATOM 2056 NZ LYS B 34 -20.849 4.429 0.695 1.00 1.87 N ATOM 0 H LYS B 34 -16.635 2.984 -0.227 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.670 5.471 0.530 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.678 5.216 -0.774 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.441 4.233 0.459 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -18.563 6.186 1.969 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -17.746 7.177 0.777 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -19.942 7.719 0.303 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -19.713 6.388 -0.814 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -20.932 6.119 1.961 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -21.858 6.274 0.481 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -21.810 4.032 0.692 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -20.387 4.223 -0.214 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -20.300 4.001 1.468 1.00 1.87 H new ATOM 2070 N GLN B 35 -17.116 3.828 3.002 1.00 0.36 N ATOM 2071 CA GLN B 35 -17.203 3.725 4.448 1.00 0.43 C ATOM 2072 C GLN B 35 -15.811 3.734 5.067 1.00 0.43 C ATOM 2073 O GLN B 35 -15.486 4.633 5.836 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.958 2.450 4.823 1.00 0.50 C ATOM 2075 CG GLN B 35 -18.246 2.330 6.305 1.00 1.07 C ATOM 2076 CD GLN B 35 -19.070 1.103 6.646 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -19.926 0.683 5.728 1.00 2.45 O flip ATOM 2078 NE2 GLN B 35 -18.943 0.538 7.732 1.00 2.06 N flip ATOM 0 H GLN B 35 -17.619 3.096 2.501 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.748 4.585 4.839 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -18.900 2.421 4.275 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.376 1.586 4.503 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -17.304 2.293 6.852 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -18.775 3.222 6.641 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -18.273 0.891 8.415 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -19.508 -0.283 7.949 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.987 2.762 4.688 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.639 2.633 5.219 1.00 0.39 C ATOM 2089 C LEU B 36 -12.854 3.931 5.030 1.00 0.38 C ATOM 2090 O LEU B 36 -12.309 4.476 5.973 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.926 1.470 4.522 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.552 1.092 5.078 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -11.297 -0.387 4.869 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.457 1.899 4.402 1.00 0.40 C ATOM 0 H LEU B 36 -15.236 2.045 4.006 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.698 2.431 6.288 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.570 0.592 4.574 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.812 1.720 3.467 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.542 1.315 6.145 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -10.317 -0.647 5.268 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -12.064 -0.965 5.385 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -11.327 -0.614 3.803 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.488 1.614 4.813 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.469 1.702 3.330 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.627 2.961 4.577 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.833 4.432 3.809 1.00 0.34 N ATOM 2107 CA LEU B 37 -12.018 5.590 3.463 1.00 0.35 C ATOM 2108 C LEU B 37 -12.438 6.852 4.215 1.00 0.41 C ATOM 2109 O LEU B 37 -11.595 7.544 4.785 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.084 5.842 1.962 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.571 4.693 1.091 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -11.656 5.049 -0.382 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.147 4.328 1.474 1.00 0.32 C ATOM 0 H LEU B 37 -13.375 4.054 3.032 1.00 0.34 H new ATOM 0 HA LEU B 37 -10.995 5.360 3.761 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.118 6.051 1.689 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -11.506 6.738 1.733 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.207 3.825 1.265 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.286 4.216 -0.980 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -12.693 5.253 -0.648 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.050 5.934 -0.578 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -9.799 3.509 0.844 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.499 5.194 1.334 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.119 4.019 2.519 1.00 0.32 H new ATOM 2125 N THR B 38 -13.735 7.139 4.227 1.00 0.45 N ATOM 2126 CA THR B 38 -14.239 8.374 4.814 1.00 0.53 C ATOM 2127 C THR B 38 -13.982 8.431 6.311 1.00 0.59 C ATOM 2128 O THR B 38 -13.778 9.506 6.872 1.00 0.67 O ATOM 2129 CB THR B 38 -15.752 8.550 4.574 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.453 7.368 4.980 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.044 8.842 3.115 1.00 1.03 C ATOM 0 H THR B 38 -14.456 6.533 3.837 1.00 0.45 H new ATOM 0 HA THR B 38 -13.698 9.181 4.319 1.00 0.53 H new ATOM 0 HB THR B 38 -16.092 9.398 5.168 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.541 6.761 4.216 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.118 8.961 2.976 1.00 1.03 H new ATOM 0 HG22 THR B 38 -15.536 9.760 2.819 1.00 1.03 H new ATOM 0 HG23 THR B 38 -15.688 8.015 2.500 1.00 1.03 H new ATOM 2139 N LYS B 39 -14.015 7.280 6.964 1.00 0.58 N ATOM 2140 CA LYS B 39 -13.855 7.245 8.403 1.00 0.67 C ATOM 2141 C LYS B 39 -12.417 6.946 8.822 1.00 0.65 C ATOM 2142 O LYS B 39 -11.920 7.525 9.790 1.00 0.72 O ATOM 2143 CB LYS B 39 -14.823 6.240 9.024 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.584 4.806 8.593 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.809 3.931 8.823 1.00 0.74 C ATOM 2146 CE LYS B 39 -16.259 3.964 10.277 1.00 0.87 C ATOM 2147 NZ LYS B 39 -15.205 3.466 11.206 1.00 1.62 N ATOM 0 H LYS B 39 -14.150 6.370 6.524 1.00 0.58 H new ATOM 0 HA LYS B 39 -14.092 8.241 8.778 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.746 6.300 10.110 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -15.842 6.523 8.761 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -14.316 4.785 7.537 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.738 4.398 9.145 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.623 4.269 8.182 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.582 2.904 8.535 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -16.527 4.985 10.549 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -17.157 3.357 10.391 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -15.575 2.661 11.751 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -14.375 3.161 10.658 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -14.929 4.228 11.858 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.739 6.078 8.081 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.441 5.571 8.509 1.00 0.58 C ATOM 2163 C GLU B 40 -9.302 6.445 7.994 1.00 0.56 C ATOM 2164 O GLU B 40 -8.407 6.821 8.755 1.00 0.64 O ATOM 2165 CB GLU B 40 -10.249 4.121 8.044 1.00 0.58 C ATOM 2166 CG GLU B 40 -11.257 3.141 8.627 1.00 0.88 C ATOM 2167 CD GLU B 40 -11.434 3.282 10.129 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -10.423 3.314 10.856 1.00 1.63 O ATOM 2169 OE2 GLU B 40 -12.600 3.364 10.580 1.00 1.67 O ATOM 0 H GLU B 40 -12.064 5.712 7.186 1.00 0.57 H new ATOM 0 HA GLU B 40 -10.419 5.599 9.598 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -10.314 4.088 6.956 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -9.244 3.795 8.313 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -12.221 3.289 8.139 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -10.937 2.124 8.400 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.345 6.789 6.710 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.274 7.573 6.095 1.00 0.49 C ATOM 2178 C LEU B 41 -8.750 8.987 5.802 1.00 0.53 C ATOM 2179 O LEU B 41 -8.291 9.635 4.857 1.00 0.53 O ATOM 2180 CB LEU B 41 -7.767 6.917 4.803 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.184 5.506 4.952 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -6.387 5.379 6.240 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -8.277 4.458 4.890 1.00 1.42 C ATOM 0 H LEU B 41 -10.105 6.540 6.077 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.448 7.611 6.805 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -8.592 6.875 4.092 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.003 7.561 4.367 1.00 0.43 H new ATOM 0 HG LEU B 41 -6.505 5.336 4.117 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -5.985 4.369 6.321 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -5.567 6.097 6.233 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -7.037 5.580 7.091 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -7.837 3.467 4.998 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -8.990 4.628 5.696 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -8.791 4.524 3.931 1.00 1.42 H new ATOM 2195 N ALA B 42 -9.670 9.455 6.635 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.230 10.801 6.518 1.00 0.64 C ATOM 2197 C ALA B 42 -9.151 11.874 6.595 1.00 0.71 C ATOM 2198 O ALA B 42 -9.321 12.985 6.091 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.259 11.032 7.611 1.00 0.71 C ATOM 0 H ALA B 42 -10.051 8.915 7.412 1.00 0.58 H new ATOM 0 HA ALA B 42 -10.706 10.875 5.540 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -11.671 12.037 7.516 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -12.061 10.300 7.516 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.784 10.925 8.586 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.041 11.530 7.221 1.00 0.74 N ATOM 2206 CA ASN B 43 -6.973 12.483 7.471 1.00 0.83 C ATOM 2207 C ASN B 43 -5.859 12.354 6.432 1.00 0.83 C ATOM 2208 O ASN B 43 -4.938 13.169 6.391 1.00 1.07 O ATOM 2209 CB ASN B 43 -6.424 12.261 8.889 1.00 1.00 C ATOM 2210 CG ASN B 43 -5.301 13.214 9.265 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -5.544 14.329 9.733 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -4.066 12.770 9.090 1.00 2.16 N ATOM 0 H ASN B 43 -7.854 10.590 7.569 1.00 0.74 H new ATOM 0 HA ASN B 43 -7.374 13.493 7.390 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -7.238 12.372 9.606 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -6.062 11.236 8.973 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -3.272 13.357 9.346 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -3.909 11.841 8.700 1.00 2.16 H new ATOM 2219 N THR B 44 -5.967 11.365 5.559 1.00 0.65 N ATOM 2220 CA THR B 44 -4.869 11.037 4.673 1.00 0.61 C ATOM 2221 C THR B 44 -5.158 11.495 3.251 1.00 0.59 C ATOM 2222 O THR B 44 -4.465 12.351 2.697 1.00 0.66 O ATOM 2223 CB THR B 44 -4.613 9.522 4.668 1.00 0.55 C ATOM 2224 OG1 THR B 44 -4.920 8.976 5.958 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.163 9.226 4.321 1.00 0.52 C ATOM 0 H THR B 44 -6.797 10.782 5.448 1.00 0.65 H new ATOM 0 HA THR B 44 -3.985 11.556 5.042 1.00 0.61 H new ATOM 0 HB THR B 44 -5.253 9.063 3.915 1.00 0.55 H new ATOM 0 HG1 THR B 44 -4.728 9.643 6.650 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.001 8.148 4.323 1.00 0.52 H new ATOM 0 HG22 THR B 44 -2.937 9.626 3.332 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.510 9.692 5.059 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.204 10.934 2.680 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.549 11.175 1.292 1.00 0.51 C ATOM 2235 C ILE B 45 -7.301 12.495 1.151 1.00 0.59 C ATOM 2236 O ILE B 45 -8.226 12.766 1.919 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.402 10.011 0.756 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.665 8.676 0.946 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.742 10.232 -0.712 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.463 7.471 0.493 1.00 0.35 C ATOM 0 H ILE B 45 -6.839 10.299 3.163 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.632 11.240 0.707 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.333 9.974 1.321 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.726 8.708 0.394 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.411 8.558 1.999 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.345 9.400 -1.075 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.302 11.161 -0.820 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.822 10.294 -1.293 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.879 6.565 0.658 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.390 7.414 1.063 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.694 7.566 -0.568 1.00 0.35 H new ATOM 2252 N LYS B 46 -6.871 13.335 0.200 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.496 14.636 -0.011 1.00 0.74 C ATOM 2254 C LYS B 46 -8.993 14.485 -0.255 1.00 0.68 C ATOM 2255 O LYS B 46 -9.412 13.696 -1.107 1.00 0.63 O ATOM 2256 CB LYS B 46 -6.833 15.376 -1.191 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.300 14.938 -2.580 1.00 0.79 C ATOM 2258 CD LYS B 46 -8.468 15.787 -3.081 1.00 0.75 C ATOM 2259 CE LYS B 46 -8.870 15.395 -4.493 1.00 0.88 C ATOM 2260 NZ LYS B 46 -9.264 13.963 -4.584 1.00 1.61 N ATOM 0 H LYS B 46 -6.095 13.133 -0.431 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.353 15.228 0.893 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.022 16.444 -1.082 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -5.754 15.235 -1.127 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -6.470 15.012 -3.282 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -7.599 13.890 -2.549 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.320 15.668 -2.412 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.190 16.841 -3.059 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -9.700 16.021 -4.820 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -8.039 15.586 -5.173 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -9.893 13.827 -5.401 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -8.414 13.376 -4.701 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -9.761 13.684 -3.714 1.00 1.61 H new ATOM 2274 N ASN B 47 -9.780 15.231 0.514 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.236 15.246 0.379 1.00 0.67 C ATOM 2276 C ASN B 47 -11.808 13.847 0.229 1.00 0.59 C ATOM 2277 O ASN B 47 -12.717 13.629 -0.566 1.00 0.57 O ATOM 2278 CB ASN B 47 -11.675 16.085 -0.818 1.00 0.69 C ATOM 2279 CG ASN B 47 -11.571 17.580 -0.585 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -10.670 18.062 0.102 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -12.516 18.325 -1.137 1.00 1.24 N ATOM 0 H ASN B 47 -9.428 15.843 1.250 1.00 0.71 H new ATOM 0 HA ASN B 47 -11.621 15.689 1.297 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.066 15.817 -1.681 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -12.707 15.836 -1.067 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -12.514 19.336 -0.999 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -13.246 17.888 -1.700 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.289 12.903 1.001 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.739 11.516 0.923 1.00 0.48 C ATOM 2290 C ILE B 48 -13.193 11.405 1.377 1.00 0.48 C ATOM 2291 O ILE B 48 -13.817 10.349 1.315 1.00 0.44 O ATOM 2292 CB ILE B 48 -10.850 10.597 1.779 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.127 9.124 1.475 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.056 10.877 3.256 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -11.028 8.771 0.006 1.00 0.38 C ATOM 0 H ILE B 48 -10.555 13.070 1.690 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.663 11.195 -0.116 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.811 10.808 1.525 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.422 8.509 2.035 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.125 8.871 1.833 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.418 10.217 3.844 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -10.798 11.914 3.469 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.099 10.701 3.518 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.238 7.710 -0.128 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.752 9.358 -0.559 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -10.023 8.991 -0.354 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.716 12.525 1.829 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.084 12.619 2.282 1.00 0.57 C ATOM 2309 C LYS B 49 -16.011 12.794 1.089 1.00 0.55 C ATOM 2310 O LYS B 49 -17.216 12.562 1.178 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.211 13.799 3.234 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.158 13.783 4.332 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.176 12.486 5.133 1.00 0.72 C ATOM 2314 CE LYS B 49 -14.973 12.616 6.424 1.00 0.83 C ATOM 2315 NZ LYS B 49 -16.401 12.965 6.188 1.00 1.11 N ATOM 0 H LYS B 49 -13.198 13.402 1.892 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.366 11.705 2.805 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.127 14.727 2.669 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.202 13.790 3.687 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.172 13.920 3.888 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.325 14.625 5.004 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.604 11.691 4.523 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.153 12.192 5.368 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -14.920 11.677 6.975 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -14.516 13.380 7.052 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -16.929 12.892 7.081 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -16.465 13.938 5.827 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -16.808 12.309 5.491 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.426 13.201 -0.028 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.170 13.385 -1.262 1.00 0.56 C ATOM 2331 C ASP B 50 -16.330 12.069 -1.990 1.00 0.50 C ATOM 2332 O ASP B 50 -15.357 11.369 -2.255 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.474 14.396 -2.175 1.00 0.62 C ATOM 2334 CG ASP B 50 -15.876 15.830 -1.901 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -17.064 16.168 -2.094 1.00 1.56 O ATOM 2336 OD2 ASP B 50 -15.006 16.634 -1.505 1.00 1.59 O ATOM 0 H ASP B 50 -14.431 13.411 -0.103 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.156 13.769 -1.000 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.395 14.300 -2.055 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -15.702 14.154 -3.213 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.570 11.747 -2.323 1.00 0.50 N ATOM 2342 CA LYS B 51 -17.878 10.535 -3.061 1.00 0.48 C ATOM 2343 C LYS B 51 -17.313 10.627 -4.465 1.00 0.49 C ATOM 2344 O LYS B 51 -17.074 9.616 -5.110 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.382 10.326 -3.142 1.00 0.53 C ATOM 2346 CG LYS B 51 -19.841 8.930 -2.739 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.262 7.843 -3.641 1.00 0.60 C ATOM 2348 CE LYS B 51 -19.880 7.854 -5.036 1.00 0.83 C ATOM 2349 NZ LYS B 51 -21.368 7.818 -5.000 1.00 0.92 N ATOM 0 H LYS B 51 -18.385 12.315 -2.091 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.428 9.692 -2.537 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -19.874 11.057 -2.501 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.711 10.524 -4.162 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -19.546 8.737 -1.708 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -20.930 8.885 -2.773 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.184 7.979 -3.723 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -19.426 6.868 -3.182 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.554 8.748 -5.567 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -19.512 6.996 -5.600 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -21.731 7.523 -5.929 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -21.681 7.141 -4.275 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -21.733 8.764 -4.770 1.00 0.92 H new ATOM 2363 N ALA B 52 -17.117 11.850 -4.932 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.494 12.079 -6.223 1.00 0.60 C ATOM 2365 C ALA B 52 -15.031 11.698 -6.139 1.00 0.57 C ATOM 2366 O ALA B 52 -14.461 11.138 -7.070 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.645 13.533 -6.643 1.00 0.67 C ATOM 0 H ALA B 52 -17.381 12.700 -4.434 1.00 0.55 H new ATOM 0 HA ALA B 52 -16.987 11.464 -6.976 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -16.171 13.683 -7.613 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.704 13.783 -6.714 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -16.169 14.177 -5.903 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.451 11.974 -4.977 1.00 0.54 N ATOM 2374 CA VAL B 53 -13.062 11.638 -4.698 1.00 0.53 C ATOM 2375 C VAL B 53 -12.931 10.138 -4.520 1.00 0.47 C ATOM 2376 O VAL B 53 -12.039 9.502 -5.077 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.564 12.364 -3.428 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.234 11.801 -2.937 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.436 13.852 -3.691 1.00 0.60 C ATOM 0 H VAL B 53 -14.930 12.436 -4.204 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.449 11.963 -5.539 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.303 12.198 -2.644 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -10.919 12.339 -2.043 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.351 10.743 -2.702 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.480 11.918 -3.715 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -12.084 14.352 -2.789 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.724 14.019 -4.499 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.408 14.256 -3.975 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.848 9.584 -3.748 1.00 0.42 N ATOM 2390 CA ILE B 54 -13.912 8.148 -3.538 1.00 0.36 C ATOM 2391 C ILE B 54 -14.121 7.411 -4.846 1.00 0.38 C ATOM 2392 O ILE B 54 -13.507 6.382 -5.089 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.039 7.806 -2.573 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.697 8.407 -1.224 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.243 6.295 -2.476 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.845 8.406 -0.261 1.00 0.38 C ATOM 0 H ILE B 54 -14.565 10.112 -3.251 1.00 0.42 H new ATOM 0 HA ILE B 54 -12.960 7.831 -3.112 1.00 0.36 H new ATOM 0 HB ILE B 54 -15.980 8.222 -2.934 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -13.867 7.852 -0.788 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.355 9.432 -1.368 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -16.054 6.081 -1.780 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.495 5.898 -3.459 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.326 5.826 -2.119 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.529 8.850 0.683 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.669 8.986 -0.677 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -16.173 7.381 -0.088 1.00 0.38 H new ATOM 2408 N ASP B 55 -14.994 7.949 -5.681 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.259 7.374 -6.989 1.00 0.47 C ATOM 2410 C ASP B 55 -14.019 7.437 -7.837 1.00 0.48 C ATOM 2411 O ASP B 55 -13.632 6.459 -8.440 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.381 8.120 -7.687 1.00 0.54 C ATOM 2413 CG ASP B 55 -16.586 7.659 -9.108 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -17.177 6.577 -9.296 1.00 1.43 O ATOM 2415 OD2 ASP B 55 -16.160 8.373 -10.039 1.00 1.53 O ATOM 0 H ASP B 55 -15.535 8.789 -5.474 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.558 6.335 -6.850 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -17.306 7.984 -7.127 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -16.160 9.187 -7.683 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.404 8.600 -7.862 1.00 0.51 N ATOM 2421 CA GLU B 56 -12.153 8.798 -8.567 1.00 0.53 C ATOM 2422 C GLU B 56 -11.147 7.698 -8.223 1.00 0.47 C ATOM 2423 O GLU B 56 -10.507 7.118 -9.110 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.597 10.163 -8.195 1.00 0.58 C ATOM 2425 CG GLU B 56 -12.131 11.295 -9.054 1.00 0.69 C ATOM 2426 CD GLU B 56 -11.802 11.109 -10.516 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -10.633 11.320 -10.895 1.00 1.66 O ATOM 2428 OE2 GLU B 56 -12.708 10.754 -11.294 1.00 1.77 O ATOM 0 H GLU B 56 -13.756 9.436 -7.395 1.00 0.51 H new ATOM 0 HA GLU B 56 -12.333 8.750 -9.641 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.833 10.369 -7.151 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.510 10.138 -8.278 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -13.212 11.361 -8.933 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.713 12.240 -8.707 1.00 0.69 H new ATOM 2435 N ILE B 57 -11.034 7.389 -6.938 1.00 0.42 N ATOM 2436 CA ILE B 57 -10.110 6.369 -6.492 1.00 0.39 C ATOM 2437 C ILE B 57 -10.623 4.978 -6.845 1.00 0.36 C ATOM 2438 O ILE B 57 -9.920 4.193 -7.473 1.00 0.37 O ATOM 2439 CB ILE B 57 -9.892 6.451 -4.979 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.395 7.841 -4.567 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -8.919 5.383 -4.532 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -8.254 8.366 -5.412 1.00 1.00 C ATOM 0 H ILE B 57 -11.571 7.832 -6.192 1.00 0.42 H new ATOM 0 HA ILE B 57 -9.163 6.544 -7.002 1.00 0.39 H new ATOM 0 HB ILE B 57 -10.850 6.280 -4.487 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -10.227 8.543 -4.622 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -9.075 7.807 -3.525 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -8.773 5.452 -3.454 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -9.318 4.400 -4.782 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -7.964 5.526 -5.038 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -7.962 9.354 -5.055 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -7.404 7.687 -5.338 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -8.573 8.436 -6.452 1.00 1.00 H new ATOM 2454 N PHE B 58 -11.858 4.700 -6.440 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.515 3.418 -6.688 1.00 0.36 C ATOM 2456 C PHE B 58 -12.422 3.038 -8.156 1.00 0.41 C ATOM 2457 O PHE B 58 -12.036 1.926 -8.499 1.00 0.44 O ATOM 2458 CB PHE B 58 -13.988 3.512 -6.269 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.790 2.273 -6.541 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.752 1.203 -5.666 1.00 1.11 C ATOM 2461 CD2 PHE B 58 -15.591 2.184 -7.668 1.00 1.52 C ATOM 2462 CE1 PHE B 58 -15.495 0.066 -5.908 1.00 1.16 C ATOM 2463 CE2 PHE B 58 -16.335 1.050 -7.916 1.00 1.67 C ATOM 2464 CZ PHE B 58 -16.286 -0.011 -7.034 1.00 0.93 C ATOM 0 H PHE B 58 -12.438 5.363 -5.926 1.00 0.35 H new ATOM 0 HA PHE B 58 -12.012 2.648 -6.102 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -14.036 3.735 -5.203 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.449 4.350 -6.791 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -14.133 1.258 -4.783 1.00 1.11 H new ATOM 0 HD2 PHE B 58 -15.633 3.012 -8.360 1.00 1.52 H new ATOM 0 HE1 PHE B 58 -15.457 -0.762 -5.216 1.00 1.16 H new ATOM 0 HE2 PHE B 58 -16.955 0.992 -8.798 1.00 1.67 H new ATOM 0 HZ PHE B 58 -16.867 -0.901 -7.226 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.763 3.987 -9.005 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.732 3.804 -10.444 1.00 0.52 C ATOM 2476 C GLN B 59 -11.304 3.567 -10.922 1.00 0.52 C ATOM 2477 O GLN B 59 -11.075 2.882 -11.916 1.00 0.57 O ATOM 2478 CB GLN B 59 -13.307 5.043 -11.136 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.792 5.286 -10.881 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.660 4.091 -11.214 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -15.325 3.277 -12.076 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -16.804 4.001 -10.558 1.00 1.63 N ATOM 0 H GLN B 59 -13.072 4.915 -8.714 1.00 0.45 H new ATOM 0 HA GLN B 59 -13.335 2.932 -10.697 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.748 5.919 -10.806 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -13.148 4.949 -12.210 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -14.935 5.550 -9.833 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -15.120 6.141 -11.472 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -17.043 4.697 -9.851 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -17.448 3.236 -10.758 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.345 4.151 -10.212 1.00 0.48 N ATOM 2492 CA GLY B 60 -8.949 3.942 -10.537 1.00 0.49 C ATOM 2493 C GLY B 60 -8.487 2.531 -10.229 1.00 0.47 C ATOM 2494 O GLY B 60 -7.532 2.038 -10.831 1.00 0.53 O ATOM 0 H GLY B 60 -10.511 4.766 -9.416 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.790 4.150 -11.595 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.339 4.651 -9.978 1.00 0.49 H new ATOM 2498 N LEU B 61 -9.163 1.878 -9.293 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.826 0.509 -8.927 1.00 0.44 C ATOM 2500 C LEU B 61 -9.682 -0.449 -9.739 1.00 0.51 C ATOM 2501 O LEU B 61 -9.195 -1.455 -10.257 1.00 0.59 O ATOM 2502 CB LEU B 61 -9.063 0.271 -7.429 1.00 0.39 C ATOM 2503 CG LEU B 61 -9.057 1.526 -6.553 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.604 1.213 -5.171 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.654 2.106 -6.448 1.00 0.35 C ATOM 0 H LEU B 61 -9.947 2.274 -8.774 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.771 0.337 -9.139 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -10.022 -0.232 -7.306 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.296 -0.411 -7.062 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.701 2.270 -7.022 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.592 2.117 -4.562 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.627 0.848 -5.259 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -8.986 0.449 -4.699 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.675 2.997 -5.821 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -6.987 1.366 -6.006 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.294 2.371 -7.442 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.959 -0.105 -9.851 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.924 -0.899 -10.601 1.00 0.59 C ATOM 2519 C ASP B 62 -11.795 -0.618 -12.091 1.00 0.70 C ATOM 2520 O ASP B 62 -12.623 0.068 -12.691 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.350 -0.594 -10.128 1.00 0.57 C ATOM 2522 CG ASP B 62 -14.406 -1.435 -10.832 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -14.087 -2.551 -11.299 1.00 1.11 O ATOM 2524 OD2 ASP B 62 -15.562 -0.981 -10.931 1.00 1.40 O ATOM 0 H ASP B 62 -11.355 0.733 -9.424 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.716 -1.954 -10.424 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.414 -0.766 -9.054 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.564 0.462 -10.295 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.735 -1.143 -12.677 1.00 0.78 N ATOM 2530 CA ALA B 63 -10.502 -1.010 -14.105 1.00 0.94 C ATOM 2531 C ALA B 63 -11.445 -1.924 -14.878 1.00 1.12 C ATOM 2532 O ALA B 63 -11.638 -1.772 -16.085 1.00 1.31 O ATOM 2533 CB ALA B 63 -9.052 -1.325 -14.431 1.00 1.00 C ATOM 0 H ALA B 63 -10.016 -1.670 -12.182 1.00 0.78 H new ATOM 0 HA ALA B 63 -10.703 0.019 -14.404 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -8.890 -1.222 -15.504 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -8.400 -0.633 -13.897 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -8.824 -2.346 -14.126 1.00 1.00 H new ATOM 2539 N ASN B 64 -12.031 -2.874 -14.163 1.00 1.10 N ATOM 2540 CA ASN B 64 -12.985 -3.805 -14.747 1.00 1.28 C ATOM 2541 C ASN B 64 -14.345 -3.134 -14.909 1.00 1.22 C ATOM 2542 O ASN B 64 -15.179 -3.563 -15.709 1.00 1.37 O ATOM 2543 CB ASN B 64 -13.108 -5.050 -13.863 1.00 1.34 C ATOM 2544 CG ASN B 64 -14.062 -6.095 -14.414 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -14.204 -6.256 -15.628 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -14.723 -6.812 -13.519 1.00 2.80 N ATOM 0 H ASN B 64 -11.860 -3.020 -13.168 1.00 1.10 H new ATOM 0 HA ASN B 64 -12.628 -4.106 -15.732 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -12.122 -5.498 -13.742 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -13.445 -4.749 -12.871 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -15.380 -7.530 -13.825 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -14.576 -6.646 -12.523 1.00 2.80 H new ATOM 2553 N GLN B 65 -14.538 -2.056 -14.147 1.00 1.04 N ATOM 2554 CA GLN B 65 -15.750 -1.240 -14.204 1.00 1.06 C ATOM 2555 C GLN B 65 -16.974 -2.047 -13.790 1.00 1.04 C ATOM 2556 O GLN B 65 -18.060 -1.870 -14.339 1.00 1.17 O ATOM 2557 CB GLN B 65 -15.956 -0.660 -15.608 1.00 1.32 C ATOM 2558 CG GLN B 65 -14.808 0.213 -16.095 1.00 1.38 C ATOM 2559 CD GLN B 65 -14.553 1.414 -15.206 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -13.420 1.879 -15.092 1.00 2.72 O ATOM 2561 NE2 GLN B 65 -15.600 1.939 -14.586 1.00 2.58 N ATOM 0 H GLN B 65 -13.853 -1.723 -13.469 1.00 1.04 H new ATOM 0 HA GLN B 65 -15.624 -0.416 -13.501 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -16.098 -1.481 -16.311 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -16.874 -0.072 -15.615 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -13.901 -0.389 -16.151 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -15.025 0.557 -17.106 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -16.524 1.525 -14.706 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -15.482 2.758 -13.989 1.00 2.58 H new ATOM 2570 N ASP B 66 -16.799 -2.922 -12.812 1.00 0.93 N ATOM 2571 CA ASP B 66 -17.874 -3.816 -12.390 1.00 0.95 C ATOM 2572 C ASP B 66 -18.430 -3.394 -11.034 1.00 0.81 C ATOM 2573 O ASP B 66 -19.384 -3.983 -10.525 1.00 0.82 O ATOM 2574 CB ASP B 66 -17.365 -5.261 -12.336 1.00 1.06 C ATOM 2575 CG ASP B 66 -18.475 -6.274 -12.134 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -19.277 -6.478 -13.070 1.00 2.14 O ATOM 2577 OD2 ASP B 66 -18.546 -6.881 -11.047 1.00 1.88 O ATOM 0 H ASP B 66 -15.927 -3.035 -12.295 1.00 0.93 H new ATOM 0 HA ASP B 66 -18.682 -3.754 -13.119 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -16.837 -5.489 -13.262 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -16.643 -5.356 -11.525 1.00 1.06 H new ATOM 2582 N GLU B 67 -17.823 -2.355 -10.468 1.00 0.73 N ATOM 2583 CA GLU B 67 -18.213 -1.811 -9.169 1.00 0.63 C ATOM 2584 C GLU B 67 -17.900 -2.776 -8.036 1.00 0.58 C ATOM 2585 O GLU B 67 -18.691 -2.940 -7.107 1.00 0.61 O ATOM 2586 CB GLU B 67 -19.690 -1.409 -9.131 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.968 -0.077 -9.800 1.00 0.97 C ATOM 2588 CD GLU B 67 -21.371 0.421 -9.540 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -21.573 1.126 -8.527 1.00 2.01 O ATOM 2590 OE2 GLU B 67 -22.277 0.118 -10.342 1.00 2.00 O ATOM 0 H GLU B 67 -17.041 -1.863 -10.900 1.00 0.73 H new ATOM 0 HA GLU B 67 -17.617 -0.910 -9.025 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -20.282 -2.183 -9.619 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -20.020 -1.362 -8.093 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -19.252 0.662 -9.442 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -19.814 -0.175 -10.875 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.740 -3.407 -8.113 1.00 0.62 N ATOM 2598 CA GLN B 68 -16.260 -4.244 -7.025 1.00 0.66 C ATOM 2599 C GLN B 68 -14.736 -4.269 -7.012 1.00 0.66 C ATOM 2600 O GLN B 68 -14.100 -4.707 -7.970 1.00 0.78 O ATOM 2601 CB GLN B 68 -16.822 -5.669 -7.129 1.00 0.86 C ATOM 2602 CG GLN B 68 -16.465 -6.386 -8.421 1.00 1.38 C ATOM 2603 CD GLN B 68 -16.878 -7.841 -8.411 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -17.871 -8.216 -7.793 1.00 2.16 O ATOM 2605 NE2 GLN B 68 -16.108 -8.675 -9.087 1.00 2.07 N ATOM 0 H GLN B 68 -16.114 -3.356 -8.916 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.613 -3.815 -6.087 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -16.454 -6.255 -6.287 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -17.907 -5.627 -7.038 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -16.947 -5.881 -9.258 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -15.389 -6.318 -8.585 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -15.292 -8.324 -9.588 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -16.330 -9.670 -9.108 1.00 2.07 H new ATOM 2614 N VAL B 69 -14.156 -3.784 -5.932 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.711 -3.774 -5.783 1.00 0.64 C ATOM 2616 C VAL B 69 -12.242 -4.908 -4.877 1.00 0.64 C ATOM 2617 O VAL B 69 -12.713 -5.067 -3.750 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.193 -2.422 -5.244 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -12.354 -1.339 -6.298 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -12.910 -2.023 -3.960 1.00 1.22 C ATOM 0 H VAL B 69 -14.664 -3.390 -5.141 1.00 0.59 H new ATOM 0 HA VAL B 69 -12.294 -3.922 -6.779 1.00 0.64 H new ATOM 0 HB VAL B 69 -11.134 -2.537 -5.012 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -11.985 -0.391 -5.905 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -11.785 -1.609 -7.187 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -13.408 -1.238 -6.558 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -12.521 -1.067 -3.608 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -13.979 -1.931 -4.154 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -12.744 -2.785 -3.198 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.332 -5.713 -5.400 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.745 -6.818 -4.653 1.00 0.73 C ATOM 2632 C ASP B 70 -9.605 -6.303 -3.779 1.00 0.64 C ATOM 2633 O ASP B 70 -9.355 -5.102 -3.738 1.00 0.56 O ATOM 2634 CB ASP B 70 -10.221 -7.872 -5.634 1.00 0.84 C ATOM 2635 CG ASP B 70 -9.897 -9.204 -4.981 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -10.822 -10.022 -4.799 1.00 2.02 O ATOM 2637 OD2 ASP B 70 -8.716 -9.437 -4.649 1.00 1.98 O ATOM 0 H ASP B 70 -10.979 -5.621 -6.352 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.503 -7.269 -4.012 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -10.965 -8.031 -6.415 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.325 -7.488 -6.121 1.00 0.84 H new ATOM 2642 N PHE B 71 -8.900 -7.199 -3.103 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.746 -6.813 -2.305 1.00 0.67 C ATOM 2644 C PHE B 71 -6.648 -6.258 -3.204 1.00 0.56 C ATOM 2645 O PHE B 71 -5.877 -5.402 -2.792 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.221 -8.002 -1.500 1.00 0.83 C ATOM 2647 CG PHE B 71 -8.121 -8.409 -0.364 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -9.282 -9.128 -0.600 1.00 1.93 C ATOM 2649 CD2 PHE B 71 -7.803 -8.069 0.940 1.00 1.50 C ATOM 2650 CE1 PHE B 71 -10.109 -9.499 0.444 1.00 2.18 C ATOM 2651 CE2 PHE B 71 -8.625 -8.436 1.989 1.00 1.76 C ATOM 2652 CZ PHE B 71 -9.780 -9.152 1.740 1.00 1.77 C ATOM 0 H PHE B 71 -9.107 -8.198 -3.091 1.00 0.70 H new ATOM 0 HA PHE B 71 -8.056 -6.037 -1.605 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -7.088 -8.852 -2.169 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.237 -7.754 -1.101 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -9.544 -9.402 -1.611 1.00 1.93 H new ATOM 0 HD2 PHE B 71 -6.901 -7.510 1.140 1.00 1.50 H new ATOM 0 HE1 PHE B 71 -11.011 -10.059 0.247 1.00 2.18 H new ATOM 0 HE2 PHE B 71 -8.365 -8.164 3.001 1.00 1.76 H new ATOM 0 HZ PHE B 71 -10.425 -9.440 2.557 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.596 -6.744 -4.440 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.655 -6.227 -5.432 1.00 0.57 C ATOM 2664 C GLN B 72 -6.008 -4.790 -5.809 1.00 0.50 C ATOM 2665 O GLN B 72 -5.140 -3.930 -5.954 1.00 0.47 O ATOM 2666 CB GLN B 72 -5.654 -7.108 -6.683 1.00 0.70 C ATOM 2667 CG GLN B 72 -4.869 -6.510 -7.839 1.00 0.75 C ATOM 2668 CD GLN B 72 -4.875 -7.387 -9.070 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -5.781 -7.307 -9.902 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -3.852 -8.208 -9.212 1.00 1.66 N ATOM 0 H GLN B 72 -7.195 -7.496 -4.781 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.658 -6.240 -4.992 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -5.233 -8.082 -6.433 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -6.683 -7.277 -7.001 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -5.288 -5.536 -8.091 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.839 -6.342 -7.524 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -3.123 -8.243 -8.499 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -3.790 -8.808 -10.035 1.00 1.66 H new ATOM 2679 N GLU B 73 -7.291 -4.534 -5.952 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.762 -3.208 -6.300 1.00 0.47 C ATOM 2681 C GLU B 73 -7.693 -2.297 -5.083 1.00 0.36 C ATOM 2682 O GLU B 73 -7.457 -1.096 -5.197 1.00 0.33 O ATOM 2683 CB GLU B 73 -9.169 -3.313 -6.872 1.00 0.56 C ATOM 2684 CG GLU B 73 -9.193 -4.113 -8.164 1.00 0.78 C ATOM 2685 CD GLU B 73 -10.567 -4.613 -8.534 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -10.937 -5.719 -8.087 1.00 1.99 O ATOM 2687 OE2 GLU B 73 -11.268 -3.926 -9.294 1.00 1.82 O ATOM 0 H GLU B 73 -8.029 -5.228 -5.833 1.00 0.50 H new ATOM 0 HA GLU B 73 -7.124 -2.765 -7.065 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.825 -3.784 -6.140 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -9.563 -2.313 -7.056 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -8.810 -3.492 -8.974 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -8.518 -4.964 -8.068 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.852 -2.884 -3.913 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.643 -2.163 -2.671 1.00 0.34 C ATOM 2696 C PHE B 74 -6.151 -1.912 -2.471 1.00 0.32 C ATOM 2697 O PHE B 74 -5.750 -1.002 -1.753 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.213 -2.959 -1.498 1.00 0.43 C ATOM 2699 CG PHE B 74 -8.231 -2.196 -0.203 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -9.112 -1.144 -0.014 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -7.372 -2.536 0.828 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -9.136 -0.446 1.178 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -7.391 -1.841 2.021 1.00 1.92 C ATOM 2704 CZ PHE B 74 -8.274 -0.796 2.197 1.00 1.90 C ATOM 0 H PHE B 74 -8.126 -3.860 -3.795 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.160 -1.205 -2.719 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.229 -3.270 -1.741 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.625 -3.867 -1.366 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -9.789 -0.866 -0.808 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -6.679 -3.354 0.698 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -9.828 0.372 1.312 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -6.714 -2.116 2.817 1.00 1.92 H new ATOM 0 HZ PHE B 74 -8.291 -0.253 3.130 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.339 -2.714 -3.145 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.897 -2.566 -3.105 1.00 0.36 C ATOM 2716 C ILE B 75 -3.510 -1.256 -3.773 1.00 0.34 C ATOM 2717 O ILE B 75 -2.695 -0.490 -3.251 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.205 -3.774 -3.789 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.707 -4.765 -2.743 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -2.067 -3.342 -4.698 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.418 -6.129 -3.318 1.00 0.67 C ATOM 0 H ILE B 75 -5.663 -3.482 -3.732 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.562 -2.544 -2.068 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.951 -4.263 -4.415 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.802 -4.372 -2.280 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.454 -4.859 -1.955 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.612 -4.221 -5.155 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.453 -2.686 -5.478 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.317 -2.808 -4.114 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -2.067 -6.791 -2.526 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -3.328 -6.539 -3.757 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.650 -6.044 -4.087 1.00 0.67 H new ATOM 2733 N SER B 76 -4.130 -0.986 -4.914 1.00 0.34 N ATOM 2734 CA SER B 76 -3.944 0.288 -5.573 1.00 0.36 C ATOM 2735 C SER B 76 -4.523 1.420 -4.723 1.00 0.31 C ATOM 2736 O SER B 76 -3.992 2.519 -4.715 1.00 0.33 O ATOM 2737 CB SER B 76 -4.551 0.264 -6.975 1.00 0.45 C ATOM 2738 OG SER B 76 -5.672 -0.606 -7.045 1.00 0.74 O ATOM 0 H SER B 76 -4.759 -1.629 -5.394 1.00 0.34 H new ATOM 0 HA SER B 76 -2.876 0.473 -5.684 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.854 1.272 -7.258 1.00 0.45 H new ATOM 0 HB3 SER B 76 -3.796 -0.056 -7.693 1.00 0.45 H new ATOM 0 HG SER B 76 -6.167 -0.571 -6.200 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.588 1.132 -3.974 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.176 2.114 -3.058 1.00 0.26 C ATOM 2746 C LEU B 77 -5.125 2.588 -2.060 1.00 0.23 C ATOM 2747 O LEU B 77 -4.990 3.785 -1.806 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.392 1.496 -2.333 1.00 0.30 C ATOM 2749 CG LEU B 77 -8.068 2.335 -1.225 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.282 2.293 0.081 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.267 3.771 -1.675 1.00 1.14 C ATOM 0 H LEU B 77 -6.062 0.229 -3.982 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.521 2.978 -3.626 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.147 1.261 -3.084 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -7.075 0.551 -1.892 1.00 0.30 H new ATOM 0 HG LEU B 77 -9.045 1.889 -1.039 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -7.792 2.896 0.832 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.210 1.263 0.430 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -6.281 2.690 -0.084 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.744 4.340 -0.877 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -7.300 4.216 -1.909 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.900 3.790 -2.562 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.376 1.645 -1.509 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.356 1.965 -0.525 1.00 0.25 C ATOM 2765 C VAL B 78 -2.236 2.752 -1.177 1.00 0.27 C ATOM 2766 O VAL B 78 -1.588 3.555 -0.535 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.773 0.701 0.126 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.919 1.063 1.329 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.888 -0.251 0.525 1.00 0.31 C ATOM 0 H VAL B 78 -4.456 0.652 -1.727 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.830 2.562 0.254 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.136 0.199 -0.603 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.516 0.154 1.776 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -1.098 1.707 1.012 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.529 1.588 2.064 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.459 -1.141 0.985 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.550 0.242 1.237 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.456 -0.537 -0.360 1.00 0.31 H new ATOM 2779 N ALA B 79 -2.022 2.520 -2.461 1.00 0.31 N ATOM 2780 CA ALA B 79 -1.057 3.292 -3.225 1.00 0.36 C ATOM 2781 C ALA B 79 -1.481 4.756 -3.258 1.00 0.33 C ATOM 2782 O ALA B 79 -0.671 5.663 -3.057 1.00 0.34 O ATOM 2783 CB ALA B 79 -0.944 2.731 -4.633 1.00 0.43 C ATOM 0 H ALA B 79 -2.506 1.800 -2.998 1.00 0.31 H new ATOM 0 HA ALA B 79 -0.079 3.225 -2.749 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.219 3.315 -5.200 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.617 1.692 -4.586 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -1.916 2.783 -5.124 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.770 4.967 -3.501 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.366 6.295 -3.435 1.00 0.32 C ATOM 2791 C ILE B 80 -3.168 6.885 -2.044 1.00 0.28 C ATOM 2792 O ILE B 80 -2.728 8.024 -1.884 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.891 6.252 -3.751 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -5.164 6.194 -5.259 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.611 7.451 -3.143 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.576 4.996 -5.963 1.00 0.40 C ATOM 0 H ILE B 80 -3.427 4.227 -3.748 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.871 6.915 -4.182 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.278 5.338 -3.301 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -6.242 6.199 -5.419 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.769 7.099 -5.721 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.674 7.395 -3.379 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.479 7.444 -2.061 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.196 8.371 -3.554 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.821 5.041 -7.024 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.493 4.997 -5.840 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.989 4.083 -5.534 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.476 6.077 -1.046 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.479 6.511 0.338 1.00 0.23 C ATOM 2810 C ALA B 81 -2.070 6.774 0.871 1.00 0.23 C ATOM 2811 O ALA B 81 -1.862 7.669 1.687 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.203 5.473 1.174 1.00 0.24 C ATOM 0 H ALA B 81 -3.732 5.098 -1.174 1.00 0.23 H new ATOM 0 HA ALA B 81 -4.003 7.465 0.402 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.212 5.788 2.217 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.228 5.369 0.817 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.690 4.515 1.089 1.00 0.24 H new ATOM 2818 N LEU B 82 -1.104 6.001 0.398 1.00 0.22 N ATOM 2819 CA LEU B 82 0.284 6.169 0.801 1.00 0.23 C ATOM 2820 C LEU B 82 0.832 7.489 0.298 1.00 0.24 C ATOM 2821 O LEU B 82 1.550 8.187 1.015 1.00 0.30 O ATOM 2822 CB LEU B 82 1.143 5.025 0.279 1.00 0.25 C ATOM 2823 CG LEU B 82 0.926 3.679 0.964 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.716 2.608 0.253 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.325 3.749 2.430 1.00 0.32 C ATOM 0 H LEU B 82 -1.258 5.246 -0.270 1.00 0.22 H new ATOM 0 HA LEU B 82 0.316 6.164 1.891 1.00 0.23 H new ATOM 0 HB2 LEU B 82 0.951 4.906 -0.787 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.192 5.303 0.385 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.134 3.430 0.914 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.557 1.650 0.747 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.387 2.541 -0.784 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.776 2.859 0.281 1.00 0.33 H new ATOM 0 HD21 LEU B 82 1.162 2.778 2.898 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.379 4.017 2.508 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.721 4.502 2.936 1.00 0.32 H new ATOM 2837 N LYS B 83 0.501 7.844 -0.932 1.00 0.26 N ATOM 2838 CA LYS B 83 0.936 9.129 -1.442 1.00 0.33 C ATOM 2839 C LYS B 83 0.083 10.241 -0.868 1.00 0.31 C ATOM 2840 O LYS B 83 0.551 11.355 -0.699 1.00 0.44 O ATOM 2841 CB LYS B 83 0.936 9.194 -2.956 1.00 0.42 C ATOM 2842 CG LYS B 83 2.313 9.494 -3.492 1.00 0.66 C ATOM 2843 CD LYS B 83 2.294 9.835 -4.961 1.00 1.04 C ATOM 2844 CE LYS B 83 3.622 10.440 -5.357 1.00 0.80 C ATOM 2845 NZ LYS B 83 3.678 10.791 -6.800 1.00 1.67 N ATOM 0 H LYS B 83 -0.051 7.279 -1.578 1.00 0.26 H new ATOM 0 HA LYS B 83 1.969 9.260 -1.121 1.00 0.33 H new ATOM 0 HB2 LYS B 83 0.584 8.246 -3.363 1.00 0.42 H new ATOM 0 HB3 LYS B 83 0.238 9.963 -3.289 1.00 0.42 H new ATOM 0 HG2 LYS B 83 2.744 10.325 -2.934 1.00 0.66 H new ATOM 0 HG3 LYS B 83 2.959 8.631 -3.330 1.00 0.66 H new ATOM 0 HD2 LYS B 83 2.101 8.939 -5.550 1.00 1.04 H new ATOM 0 HD3 LYS B 83 1.486 10.536 -5.172 1.00 1.04 H new ATOM 0 HE2 LYS B 83 3.802 11.335 -4.761 1.00 0.80 H new ATOM 0 HE3 LYS B 83 4.422 9.736 -5.126 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 4.607 11.202 -7.022 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 3.533 9.934 -7.372 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 2.933 11.483 -7.018 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.173 9.945 -0.586 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.987 10.843 0.217 1.00 0.35 C ATOM 2861 C ALA B 84 -1.306 11.155 1.554 1.00 0.33 C ATOM 2862 O ALA B 84 -1.560 12.195 2.154 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.354 10.237 0.456 1.00 0.48 C ATOM 0 H ALA B 84 -1.649 9.098 -0.897 1.00 0.31 H new ATOM 0 HA ALA B 84 -2.104 11.778 -0.332 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.954 10.919 1.058 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.849 10.067 -0.500 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.245 9.289 0.982 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.453 10.244 2.022 1.00 0.30 N ATOM 2870 CA ALA B 85 0.283 10.444 3.267 1.00 0.38 C ATOM 2871 C ALA B 85 1.547 11.289 3.063 1.00 0.44 C ATOM 2872 O ALA B 85 1.746 12.282 3.759 1.00 0.57 O ATOM 2873 CB ALA B 85 0.634 9.105 3.895 1.00 0.42 C ATOM 0 H ALA B 85 -0.255 9.359 1.555 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.368 10.996 3.944 1.00 0.38 H new ATOM 0 HB1 ALA B 85 1.182 9.271 4.822 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.281 8.552 4.108 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.253 8.531 3.205 1.00 0.42 H new ATOM 2879 N HIS B 86 2.408 10.901 2.120 1.00 0.44 N ATOM 2880 CA HIS B 86 3.667 11.629 1.899 1.00 0.59 C ATOM 2881 C HIS B 86 3.440 12.848 1.011 1.00 0.63 C ATOM 2882 O HIS B 86 3.700 13.981 1.407 1.00 0.72 O ATOM 2883 CB HIS B 86 4.726 10.733 1.256 1.00 0.69 C ATOM 2884 CG HIS B 86 6.108 11.324 1.309 1.00 1.28 C ATOM 2885 ND1 HIS B 86 6.782 11.785 0.197 1.00 2.06 N ATOM 2886 CD2 HIS B 86 6.940 11.529 2.358 1.00 2.11 C ATOM 2887 CE1 HIS B 86 7.966 12.246 0.561 1.00 2.66 C ATOM 2888 NE2 HIS B 86 8.084 12.104 1.865 1.00 2.68 N ATOM 0 H HIS B 86 2.264 10.101 1.504 1.00 0.44 H new ATOM 0 HA HIS B 86 4.025 11.952 2.877 1.00 0.59 H new ATOM 0 HB2 HIS B 86 4.731 9.767 1.760 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.455 10.549 0.216 1.00 0.69 H new ATOM 0 HD2 HIS B 86 6.740 11.285 3.391 1.00 2.11 H new ATOM 0 HE1 HIS B 86 8.710 12.667 -0.099 1.00 2.66 H new ATOM 0 HE2 HIS B 86 8.895 12.378 2.419 1.00 2.68 H new ATOM 2897 N TYR B 87 2.938 12.586 -0.183 1.00 0.58 N ATOM 2898 CA TYR B 87 2.609 13.607 -1.179 1.00 0.65 C ATOM 2899 C TYR B 87 1.317 14.338 -0.793 1.00 0.62 C ATOM 2900 O TYR B 87 0.588 14.821 -1.659 1.00 0.66 O ATOM 2901 CB TYR B 87 2.489 12.976 -2.572 1.00 0.69 C ATOM 2902 CG TYR B 87 2.449 13.975 -3.713 1.00 0.87 C ATOM 2903 CD1 TYR B 87 3.547 14.773 -4.007 1.00 1.63 C ATOM 2904 CD2 TYR B 87 1.312 14.111 -4.498 1.00 1.43 C ATOM 2905 CE1 TYR B 87 3.512 15.679 -5.050 1.00 1.80 C ATOM 2906 CE2 TYR B 87 1.269 15.014 -5.541 1.00 1.54 C ATOM 2907 CZ TYR B 87 2.369 15.795 -5.813 1.00 1.29 C ATOM 2908 OH TYR B 87 2.325 16.698 -6.850 1.00 1.51 O ATOM 0 H TYR B 87 2.741 11.637 -0.500 1.00 0.58 H new ATOM 0 HA TYR B 87 3.415 14.340 -1.207 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.331 12.302 -2.725 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.584 12.369 -2.605 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.443 14.684 -3.411 1.00 1.63 H new ATOM 0 HD2 TYR B 87 0.446 13.500 -4.289 1.00 1.43 H new ATOM 0 HE1 TYR B 87 4.374 16.292 -5.266 1.00 1.80 H new ATOM 0 HE2 TYR B 87 0.376 15.107 -6.141 1.00 1.54 H new ATOM 0 HH TYR B 87 1.449 16.653 -7.286 1.00 1.51 H new ATOM 2918 N HIS B 88 1.002 14.295 0.507 1.00 0.59 N ATOM 2919 CA HIS B 88 -0.219 14.872 1.104 1.00 0.62 C ATOM 2920 C HIS B 88 -0.523 16.326 0.704 1.00 0.70 C ATOM 2921 O HIS B 88 -1.360 16.969 1.334 1.00 0.76 O ATOM 2922 CB HIS B 88 -0.129 14.801 2.638 1.00 0.65 C ATOM 2923 CG HIS B 88 1.043 15.532 3.239 1.00 1.54 C ATOM 2924 ND1 HIS B 88 2.003 14.907 4.004 1.00 2.37 N ATOM 2925 CD2 HIS B 88 1.396 16.841 3.199 1.00 2.40 C ATOM 2926 CE1 HIS B 88 2.892 15.795 4.408 1.00 3.26 C ATOM 2927 NE2 HIS B 88 2.547 16.973 3.932 1.00 3.27 N ATOM 0 H HIS B 88 1.604 13.846 1.197 1.00 0.59 H new ATOM 0 HA HIS B 88 -1.036 14.268 0.709 1.00 0.62 H new ATOM 0 HB2 HIS B 88 -1.048 15.208 3.061 1.00 0.65 H new ATOM 0 HB3 HIS B 88 -0.077 13.754 2.936 1.00 0.65 H new ATOM 0 HD1 HIS B 88 2.024 13.911 4.224 1.00 2.37 H new ATOM 0 HD2 HIS B 88 0.869 17.632 2.686 1.00 2.40 H new ATOM 0 HE1 HIS B 88 3.755 15.590 5.024 1.00 3.26 H new ATOM 2936 N THR B 89 0.135 16.844 -0.313 1.00 0.73 N ATOM 2937 CA THR B 89 -0.184 18.167 -0.808 1.00 0.81 C ATOM 2938 C THR B 89 -1.493 18.084 -1.590 1.00 0.72 C ATOM 2939 O THR B 89 -2.347 18.966 -1.500 1.00 1.05 O ATOM 2940 CB THR B 89 0.958 18.739 -1.688 1.00 0.97 C ATOM 2941 OG1 THR B 89 0.596 20.020 -2.217 1.00 1.27 O ATOM 2942 CG2 THR B 89 1.310 17.796 -2.832 1.00 0.90 C ATOM 0 H THR B 89 0.890 16.372 -0.811 1.00 0.73 H new ATOM 0 HA THR B 89 -0.297 18.850 0.033 1.00 0.81 H new ATOM 0 HB THR B 89 1.834 18.847 -1.049 1.00 0.97 H new ATOM 0 HG1 THR B 89 1.329 20.365 -2.768 1.00 1.27 H new ATOM 0 HG21 THR B 89 2.114 18.230 -3.427 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.635 16.838 -2.427 1.00 0.90 H new ATOM 0 HG23 THR B 89 0.433 17.645 -3.462 1.00 0.90 H new ATOM 2950 N HIS B 90 -1.629 16.979 -2.328 1.00 0.66 N ATOM 2951 CA HIS B 90 -2.830 16.631 -3.082 1.00 0.65 C ATOM 2952 C HIS B 90 -2.512 15.477 -4.014 1.00 0.94 C ATOM 2953 O HIS B 90 -2.268 15.672 -5.203 1.00 1.78 O ATOM 2954 CB HIS B 90 -3.424 17.803 -3.896 1.00 0.91 C ATOM 2955 CG HIS B 90 -2.467 18.522 -4.816 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -2.426 18.309 -6.178 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -1.536 19.471 -4.565 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -1.514 19.092 -6.718 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -0.960 19.808 -5.762 1.00 3.47 N ATOM 0 H HIS B 90 -0.886 16.286 -2.418 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.589 16.355 -2.350 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -4.253 17.422 -4.492 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -3.841 18.529 -3.198 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -1.292 19.887 -3.599 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -1.263 19.139 -7.767 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -0.222 20.501 -5.891 1.00 3.47 H new