USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1346 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 CYS SG : rot -57:sc= -0.271! USER MOD Set 1.2: A 82 CYS SG : rot -94:sc= 0.911 USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 58 MET CE :methyl -170:sc=-0.00394 (180deg=-0.128) USER MOD Set 4.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 22 CYS SG : rot -99:sc= 0.866 USER MOD Set 4.3: A 24 CYS SG : rot 180:sc= 0 USER MOD Set 5.1: A 8 SER OG : rot -10:sc= -0.526 USER MOD Set 5.2: A 10 TYR OH : rot 150:sc= -0.463 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.907 X(o=-0.91,f=-0.64) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -31:sc= 0.296 USER MOD Single : A 36 CYS SG : rot 48:sc= -1.89 USER MOD Single : A 37 ASN :FLIP amide:sc= -3.46 F(o=-4.7!,f=-3.5) USER MOD Single : A 38 SER OG : rot 40:sc= 0.964 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.611 X(o=-0.61,f=-0.62) USER MOD Single : A 55 SER OG : rot -80:sc= 0.99 USER MOD Single : A 57 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.27) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -3.17! C(o=-3.2!,f=-3.8!) USER MOD Single : A 66 TYR OH : rot 180:sc=-0.00615 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.85 K(o=-1.8,f=-2.7) USER MOD Single : A 81 SER OG : rot -100:sc= -0.218 USER MOD Single : A 86 HIS : no HD1:sc= -0.216 K(o=-0.22,f=-0.76) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -126:sc= 0.321 USER MOD Single : A 92 GLN : amide:sc= -0.296 K(o=-0.3,f=-0.97) USER MOD Single : A 94 LYS NZ :NH3+ -151:sc= -1.15 (180deg=-1.83) USER MOD Single : A 96 GLN :FLIP amide:sc= -1.28 F(o=-3.1,f=-1.3) USER MOD Single : A 100 LYS NZ :NH3+ -159:sc= -0.0441 (180deg=-0.352) USER MOD Single : A 104 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.4!) USER MOD Single : A 106 GLN : amide:sc= -0.245 K(o=-0.25,f=-2!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 150:sc= -0.358 USER MOD Single : A 116 SER OG : rot 170:sc= 0.111 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -6.83! C(o=-7.8!,f=-6.8!) USER MOD Single : A 122 HIS : no HD1:sc= -3.35! C(o=-3.3!,f=-6.7!) USER MOD Single : A 127 HIS : no HD1:sc= -0.37 K(o=-0.37,f=-2.2) USER MOD Single : A 128 SER OG : rot 132:sc= -1.38! USER MOD Single : A 129 CYS SG : rot 44:sc= -0.784 USER MOD Single : A 130 LYS NZ :NH3+ -152:sc= -0.0899 (180deg=-1.02) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 0:sc= -0.825 USER MOD Single : A 143 ASN :FLIP amide:sc= -0.283 F(o=-1.5,f=-0.28) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.097) USER MOD Single : A 149 TYR OH : rot 150:sc= -0.159 USER MOD Single : A 153 LYS NZ :NH3+ -151:sc= -1.33 (180deg=-2.03) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= -0.373 USER MOD Single : A 158 LYS NZ :NH3+ -157:sc= -0.0791 (180deg=-0.531) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN :FLIP amide:sc= -0.0577 F(o=-0.65,f=-0.058) USER MOD Single : A 171 SER OG : rot -104:sc= -0.544 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 13.463 -11.535 1.550 1.00 0.01 N ATOM 58 CA GLY A 5 13.311 -10.536 0.455 1.00 0.01 C ATOM 59 C GLY A 5 14.460 -9.530 0.526 1.00 0.01 C ATOM 60 O GLY A 5 15.079 -9.357 1.558 1.00 0.01 O ATOM 0 HA2 GLY A 5 13.311 -11.037 -0.513 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.355 -10.021 0.547 1.00 0.01 H new ATOM 64 N LYS A 6 14.760 -8.865 -0.559 1.00 0.00 N ATOM 65 CA LYS A 6 15.883 -7.872 -0.540 1.00 0.01 C ATOM 66 C LYS A 6 15.597 -6.718 -1.497 1.00 0.01 C ATOM 67 O LYS A 6 15.155 -6.908 -2.614 1.00 0.00 O ATOM 68 CB LYS A 6 17.194 -8.547 -0.949 1.00 0.02 C ATOM 69 CG LYS A 6 18.338 -7.532 -0.868 1.00 0.02 C ATOM 70 CD LYS A 6 19.682 -8.264 -0.916 1.00 0.02 C ATOM 71 CE LYS A 6 19.861 -8.924 -2.285 1.00 0.02 C ATOM 72 NZ LYS A 6 21.288 -9.312 -2.466 1.00 0.02 N ATOM 0 H LYS A 6 14.281 -8.963 -1.454 1.00 0.00 H new ATOM 0 HA LYS A 6 15.972 -7.483 0.474 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.399 -9.395 -0.295 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.113 -8.939 -1.963 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.269 -6.825 -1.694 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.260 -6.955 0.053 1.00 0.02 H new ATOM 0 HD2 LYS A 6 20.496 -7.563 -0.730 1.00 0.02 H new ATOM 0 HD3 LYS A 6 19.725 -9.018 -0.130 1.00 0.02 H new ATOM 0 HE2 LYS A 6 19.221 -9.803 -2.363 1.00 0.02 H new ATOM 0 HE3 LYS A 6 19.557 -8.237 -3.075 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 21.410 -9.761 -3.396 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 21.888 -8.465 -2.409 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 21.563 -9.982 -1.720 1.00 0.02 H new ATOM 86 N ILE A 7 15.867 -5.513 -1.053 1.00 0.02 N ATOM 87 CA ILE A 7 15.644 -4.305 -1.906 1.00 0.00 C ATOM 88 C ILE A 7 16.905 -3.432 -1.880 1.00 0.02 C ATOM 89 O ILE A 7 17.529 -3.257 -0.851 1.00 0.01 O ATOM 90 CB ILE A 7 14.423 -3.539 -1.392 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.317 -2.196 -2.118 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.550 -3.299 0.110 1.00 0.01 C ATOM 93 CD1 ILE A 7 12.926 -1.594 -1.885 1.00 0.02 C ATOM 0 H ILE A 7 16.237 -5.314 -0.124 1.00 0.02 H new ATOM 0 HA ILE A 7 15.450 -4.598 -2.938 1.00 0.00 H new ATOM 0 HB ILE A 7 13.527 -4.129 -1.584 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.085 -1.513 -1.755 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.491 -2.333 -3.185 1.00 0.02 H new ATOM 0 HG21 ILE A 7 13.676 -2.753 0.466 1.00 0.01 H new ATOM 0 HG22 ILE A 7 14.616 -4.256 0.627 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.449 -2.716 0.311 1.00 0.01 H new ATOM 0 HD11 ILE A 7 12.852 -0.638 -2.403 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.166 -2.274 -2.269 1.00 0.02 H new ATOM 0 HD13 ILE A 7 12.770 -1.442 -0.817 1.00 0.02 H new ATOM 105 N SER A 8 17.279 -2.879 -3.011 1.00 0.02 N ATOM 106 CA SER A 8 18.499 -2.004 -3.077 1.00 0.02 C ATOM 107 C SER A 8 18.110 -0.610 -3.577 1.00 0.01 C ATOM 108 O SER A 8 17.449 -0.464 -4.581 1.00 0.02 O ATOM 109 CB SER A 8 19.533 -2.615 -4.027 1.00 0.30 C ATOM 110 OG SER A 8 20.819 -2.104 -3.707 1.00 0.39 O ATOM 0 H SER A 8 16.789 -2.996 -3.898 1.00 0.02 H new ATOM 0 HA SER A 8 18.931 -1.926 -2.079 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.528 -3.701 -3.939 1.00 0.30 H new ATOM 0 HB3 SER A 8 19.281 -2.377 -5.060 1.00 0.30 H new ATOM 0 HG SER A 8 20.728 -1.366 -3.068 1.00 0.39 H new ATOM 116 N PHE A 9 18.539 0.412 -2.877 1.00 0.02 N ATOM 117 CA PHE A 9 18.230 1.819 -3.287 1.00 0.01 C ATOM 118 C PHE A 9 19.520 2.491 -3.777 1.00 0.01 C ATOM 119 O PHE A 9 20.573 2.294 -3.205 1.00 0.02 O ATOM 120 CB PHE A 9 17.705 2.595 -2.076 1.00 0.02 C ATOM 121 CG PHE A 9 16.592 1.832 -1.399 1.00 0.01 C ATOM 122 CD1 PHE A 9 16.896 0.803 -0.500 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.256 2.166 -1.656 1.00 0.01 C ATOM 124 CE1 PHE A 9 15.864 0.106 0.141 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.225 1.471 -1.014 1.00 0.02 C ATOM 126 CZ PHE A 9 14.528 0.440 -0.116 1.00 0.02 C ATOM 0 H PHE A 9 19.098 0.330 -2.028 1.00 0.02 H new ATOM 0 HA PHE A 9 17.482 1.813 -4.079 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.516 2.769 -1.369 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.343 3.573 -2.393 1.00 0.02 H new ATOM 0 HD1 PHE A 9 17.926 0.547 -0.301 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.022 2.960 -2.350 1.00 0.01 H new ATOM 0 HE1 PHE A 9 16.098 -0.689 0.833 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.195 1.730 -1.211 1.00 0.02 H new ATOM 0 HZ PHE A 9 13.732 -0.097 0.378 1.00 0.02 H new ATOM 136 N TYR A 10 19.453 3.276 -4.832 1.00 0.02 N ATOM 137 CA TYR A 10 20.686 3.958 -5.361 1.00 0.01 C ATOM 138 C TYR A 10 20.469 5.474 -5.370 1.00 0.02 C ATOM 139 O TYR A 10 19.401 5.955 -5.697 1.00 0.01 O ATOM 140 CB TYR A 10 20.955 3.486 -6.793 1.00 0.02 C ATOM 141 CG TYR A 10 20.873 1.977 -6.862 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.629 1.339 -6.786 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.041 1.215 -7.013 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.552 -0.056 -6.857 1.00 0.02 C ATOM 145 CE2 TYR A 10 21.962 -0.180 -7.084 1.00 0.02 C ATOM 146 CZ TYR A 10 20.718 -0.816 -7.006 1.00 0.00 C ATOM 147 OH TYR A 10 20.640 -2.192 -7.077 1.00 0.02 O ATOM 0 H TYR A 10 18.597 3.474 -5.350 1.00 0.02 H new ATOM 0 HA TYR A 10 21.535 3.711 -4.724 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.229 3.930 -7.474 1.00 0.02 H new ATOM 0 HB3 TYR A 10 21.941 3.820 -7.116 1.00 0.02 H new ATOM 0 HD1 TYR A 10 18.728 1.924 -6.673 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.001 1.705 -7.074 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.592 -0.547 -6.797 1.00 0.02 H new ATOM 0 HE2 TYR A 10 22.862 -0.766 -7.199 1.00 0.02 H new ATOM 0 HH TYR A 10 21.375 -2.533 -7.628 1.00 0.02 H new ATOM 157 N GLU A 11 21.464 6.233 -4.979 1.00 0.00 N ATOM 158 CA GLU A 11 21.298 7.714 -4.929 1.00 0.02 C ATOM 159 C GLU A 11 21.194 8.319 -6.333 1.00 0.03 C ATOM 160 O GLU A 11 20.581 9.355 -6.502 1.00 0.03 O ATOM 161 CB GLU A 11 22.503 8.333 -4.205 1.00 0.00 C ATOM 162 CG GLU A 11 22.350 8.155 -2.692 1.00 0.00 C ATOM 163 CD GLU A 11 23.537 8.803 -1.979 1.00 0.02 C ATOM 164 OE1 GLU A 11 24.457 9.220 -2.663 1.00 0.02 O ATOM 165 OE2 GLU A 11 23.505 8.874 -0.762 1.00 0.01 O ATOM 0 H GLU A 11 22.381 5.889 -4.693 1.00 0.00 H new ATOM 0 HA GLU A 11 20.373 7.932 -4.395 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.424 7.860 -4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.580 9.392 -4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.418 8.608 -2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.297 7.095 -2.443 1.00 0.00 H new ATOM 172 N ASP A 12 21.775 7.708 -7.342 1.00 0.02 N ATOM 173 CA ASP A 12 21.687 8.290 -8.723 1.00 0.01 C ATOM 174 C ASP A 12 20.883 7.363 -9.638 1.00 0.02 C ATOM 175 O ASP A 12 20.560 6.243 -9.295 1.00 0.02 O ATOM 176 CB ASP A 12 23.094 8.458 -9.304 1.00 0.01 C ATOM 177 CG ASP A 12 23.997 9.134 -8.271 1.00 0.01 C ATOM 178 OD1 ASP A 12 23.493 9.500 -7.222 1.00 0.02 O ATOM 179 OD2 ASP A 12 25.177 9.275 -8.548 1.00 0.03 O ATOM 0 H ASP A 12 22.303 6.838 -7.270 1.00 0.02 H new ATOM 0 HA ASP A 12 21.191 9.259 -8.660 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.503 7.486 -9.579 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.054 9.056 -10.214 1.00 0.01 H new ATOM 184 N ARG A 13 20.556 7.847 -10.803 1.00 0.02 N ATOM 185 CA ARG A 13 19.764 7.044 -11.778 1.00 0.02 C ATOM 186 C ARG A 13 20.650 5.971 -12.418 1.00 0.00 C ATOM 187 O ARG A 13 21.858 6.084 -12.462 1.00 0.02 O ATOM 188 CB ARG A 13 19.242 7.985 -12.866 1.00 0.00 C ATOM 189 CG ARG A 13 18.125 8.869 -12.292 1.00 0.01 C ATOM 190 CD ARG A 13 17.508 9.748 -13.406 1.00 0.02 C ATOM 191 NE ARG A 13 17.351 11.157 -12.921 1.00 0.03 N ATOM 192 CZ ARG A 13 16.821 11.421 -11.755 1.00 0.02 C ATOM 193 NH1 ARG A 13 16.317 10.464 -11.025 1.00 0.02 N ATOM 194 NH2 ARG A 13 16.768 12.654 -11.331 1.00 0.02 N ATOM 0 H ARG A 13 20.808 8.781 -11.127 1.00 0.02 H new ATOM 0 HA ARG A 13 18.935 6.555 -11.266 1.00 0.02 H new ATOM 0 HB2 ARG A 13 20.054 8.607 -13.243 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.865 7.407 -13.710 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.353 8.245 -11.843 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.524 9.502 -11.499 1.00 0.01 H new ATOM 0 HD2 ARG A 13 18.145 9.728 -14.290 1.00 0.02 H new ATOM 0 HD3 ARG A 13 16.539 9.347 -13.702 1.00 0.02 H new ATOM 0 HE ARG A 13 17.664 11.926 -13.513 1.00 0.03 H new ATOM 0 HH11 ARG A 13 16.335 9.502 -11.363 1.00 0.02 H new ATOM 0 HH12 ARG A 13 15.905 10.678 -10.117 1.00 0.02 H new ATOM 0 HH21 ARG A 13 17.139 13.408 -11.909 1.00 0.02 H new ATOM 0 HH22 ARG A 13 16.355 12.863 -10.422 1.00 0.02 H new ATOM 208 N ASN A 14 20.035 4.936 -12.929 1.00 0.02 N ATOM 209 CA ASN A 14 20.794 3.839 -13.597 1.00 0.02 C ATOM 210 C ASN A 14 21.672 3.082 -12.592 1.00 0.02 C ATOM 211 O ASN A 14 22.731 2.581 -12.913 1.00 0.02 O ATOM 212 CB ASN A 14 21.646 4.434 -14.722 1.00 0.26 C ATOM 213 CG ASN A 14 20.877 5.571 -15.399 1.00 0.12 C ATOM 214 OD1 ASN A 14 19.901 5.335 -16.085 1.00 0.74 O ATOM 215 ND2 ASN A 14 21.278 6.802 -15.238 1.00 0.46 N ATOM 0 H ASN A 14 19.024 4.804 -12.911 1.00 0.02 H new ATOM 0 HA ASN A 14 20.089 3.121 -14.016 1.00 0.02 H new ATOM 0 HB2 ASN A 14 22.588 4.807 -14.320 1.00 0.26 H new ATOM 0 HB3 ASN A 14 21.893 3.663 -15.452 1.00 0.26 H new ATOM 0 HD21 ASN A 14 20.773 7.566 -15.687 1.00 0.46 H new ATOM 0 HD22 ASN A 14 22.097 7.001 -14.663 1.00 0.46 H new ATOM 222 N PHE A 15 21.196 2.974 -11.380 1.00 0.02 N ATOM 223 CA PHE A 15 21.934 2.224 -10.319 1.00 0.02 C ATOM 224 C PHE A 15 23.360 2.760 -10.149 1.00 0.00 C ATOM 225 O PHE A 15 24.300 2.008 -9.988 1.00 0.02 O ATOM 226 CB PHE A 15 21.987 0.731 -10.698 1.00 0.02 C ATOM 227 CG PHE A 15 20.743 0.358 -11.472 1.00 0.02 C ATOM 228 CD1 PHE A 15 19.534 0.155 -10.798 1.00 0.02 C ATOM 229 CD2 PHE A 15 20.800 0.219 -12.866 1.00 0.02 C ATOM 230 CE1 PHE A 15 18.383 -0.188 -11.515 1.00 0.02 C ATOM 231 CE2 PHE A 15 19.649 -0.125 -13.582 1.00 0.02 C ATOM 232 CZ PHE A 15 18.440 -0.328 -12.908 1.00 0.02 C ATOM 0 H PHE A 15 20.312 3.381 -11.075 1.00 0.02 H new ATOM 0 HA PHE A 15 21.407 2.355 -9.374 1.00 0.02 H new ATOM 0 HB2 PHE A 15 22.874 0.529 -11.298 1.00 0.02 H new ATOM 0 HB3 PHE A 15 22.064 0.120 -9.799 1.00 0.02 H new ATOM 0 HD1 PHE A 15 19.489 0.263 -9.724 1.00 0.02 H new ATOM 0 HD2 PHE A 15 21.733 0.378 -13.387 1.00 0.02 H new ATOM 0 HE1 PHE A 15 17.450 -0.345 -10.995 1.00 0.02 H new ATOM 0 HE2 PHE A 15 19.693 -0.234 -14.656 1.00 0.02 H new ATOM 0 HZ PHE A 15 17.551 -0.593 -13.461 1.00 0.02 H new ATOM 242 N GLN A 16 23.512 4.058 -10.164 1.00 0.02 N ATOM 243 CA GLN A 16 24.861 4.679 -9.982 1.00 0.02 C ATOM 244 C GLN A 16 24.861 5.450 -8.656 1.00 0.02 C ATOM 245 O GLN A 16 23.819 5.700 -8.076 1.00 0.02 O ATOM 246 CB GLN A 16 25.128 5.652 -11.137 1.00 0.02 C ATOM 247 CG GLN A 16 25.565 4.868 -12.377 1.00 0.00 C ATOM 248 CD GLN A 16 25.684 5.821 -13.567 1.00 0.00 C ATOM 249 OE1 GLN A 16 25.729 7.022 -13.397 1.00 0.02 O ATOM 250 NE2 GLN A 16 25.737 5.331 -14.776 1.00 0.02 N ATOM 0 H GLN A 16 22.751 4.724 -10.296 1.00 0.02 H new ATOM 0 HA GLN A 16 25.635 3.911 -9.971 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.229 6.228 -11.356 1.00 0.02 H new ATOM 0 HB3 GLN A 16 25.902 6.365 -10.854 1.00 0.02 H new ATOM 0 HG2 GLN A 16 26.521 4.378 -12.192 1.00 0.00 H new ATOM 0 HG3 GLN A 16 24.842 4.083 -12.597 1.00 0.00 H new ATOM 0 HE21 GLN A 16 25.699 4.322 -14.919 1.00 0.02 H new ATOM 0 HE22 GLN A 16 25.816 5.957 -15.577 1.00 0.02 H new ATOM 259 N GLY A 17 26.009 5.833 -8.168 1.00 0.03 N ATOM 260 CA GLY A 17 26.054 6.593 -6.883 1.00 0.03 C ATOM 261 C GLY A 17 26.122 5.634 -5.688 1.00 0.02 C ATOM 262 O GLY A 17 26.353 4.451 -5.836 1.00 0.02 O ATOM 0 H GLY A 17 26.915 5.654 -8.600 1.00 0.03 H new ATOM 0 HA2 GLY A 17 26.921 7.253 -6.875 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.171 7.226 -6.798 1.00 0.03 H new ATOM 266 N ARG A 18 25.909 6.146 -4.505 1.00 0.00 N ATOM 267 CA ARG A 18 25.943 5.288 -3.285 1.00 0.02 C ATOM 268 C ARG A 18 24.739 4.343 -3.297 1.00 0.02 C ATOM 269 O ARG A 18 23.654 4.709 -3.708 1.00 0.02 O ATOM 270 CB ARG A 18 25.878 6.181 -2.043 1.00 0.79 C ATOM 271 CG ARG A 18 26.262 5.368 -0.807 1.00 1.49 C ATOM 272 CD ARG A 18 26.312 6.287 0.415 1.00 1.42 C ATOM 273 NE ARG A 18 27.481 7.203 0.300 1.00 2.07 N ATOM 274 CZ ARG A 18 27.560 8.261 1.060 1.00 2.35 C ATOM 275 NH1 ARG A 18 26.610 8.520 1.918 1.00 2.53 N ATOM 276 NH2 ARG A 18 28.587 9.059 0.964 1.00 2.76 N ATOM 0 H ARG A 18 25.711 7.131 -4.330 1.00 0.00 H new ATOM 0 HA ARG A 18 26.863 4.704 -3.269 1.00 0.02 H new ATOM 0 HB2 ARG A 18 26.553 7.029 -2.157 1.00 0.79 H new ATOM 0 HB3 ARG A 18 24.873 6.587 -1.926 1.00 0.79 H new ATOM 0 HG2 ARG A 18 25.538 4.569 -0.645 1.00 1.49 H new ATOM 0 HG3 ARG A 18 27.232 4.893 -0.958 1.00 1.49 H new ATOM 0 HD2 ARG A 18 25.390 6.864 0.487 1.00 1.42 H new ATOM 0 HD3 ARG A 18 26.389 5.694 1.326 1.00 1.42 H new ATOM 0 HE ARG A 18 28.221 7.003 -0.373 1.00 2.07 H new ATOM 0 HH11 ARG A 18 25.807 7.896 1.994 1.00 2.53 H new ATOM 0 HH12 ARG A 18 26.671 9.347 2.512 1.00 2.53 H new ATOM 0 HH21 ARG A 18 29.329 8.856 0.294 1.00 2.76 H new ATOM 0 HH22 ARG A 18 28.648 9.886 1.558 1.00 2.76 H new ATOM 290 N ARG A 19 24.932 3.118 -2.865 1.00 0.02 N ATOM 291 CA ARG A 19 23.820 2.116 -2.862 1.00 0.02 C ATOM 292 C ARG A 19 23.560 1.620 -1.435 1.00 0.02 C ATOM 293 O ARG A 19 24.456 1.534 -0.619 1.00 0.02 O ATOM 294 CB ARG A 19 24.238 0.926 -3.730 1.00 0.85 C ATOM 295 CG ARG A 19 23.053 -0.027 -3.922 1.00 1.31 C ATOM 296 CD ARG A 19 23.528 -1.310 -4.616 1.00 1.34 C ATOM 297 NE ARG A 19 24.121 -2.230 -3.605 1.00 1.50 N ATOM 298 CZ ARG A 19 24.318 -3.486 -3.902 1.00 1.63 C ATOM 299 NH1 ARG A 19 23.996 -3.936 -5.082 1.00 1.72 N ATOM 300 NH2 ARG A 19 24.838 -4.290 -3.017 1.00 1.89 N ATOM 0 H ARG A 19 25.822 2.768 -2.511 1.00 0.02 H new ATOM 0 HA ARG A 19 22.913 2.579 -3.250 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.592 1.279 -4.699 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.068 0.397 -3.261 1.00 0.85 H new ATOM 0 HG2 ARG A 19 22.608 -0.268 -2.957 1.00 1.31 H new ATOM 0 HG3 ARG A 19 22.279 0.455 -4.519 1.00 1.31 H new ATOM 0 HD2 ARG A 19 22.692 -1.795 -5.119 1.00 1.34 H new ATOM 0 HD3 ARG A 19 24.265 -1.070 -5.382 1.00 1.34 H new ATOM 0 HE ARG A 19 24.373 -1.879 -2.681 1.00 1.50 H new ATOM 0 HH11 ARG A 19 23.590 -3.307 -5.774 1.00 1.72 H new ATOM 0 HH12 ARG A 19 24.150 -4.917 -5.313 1.00 1.72 H new ATOM 0 HH21 ARG A 19 25.090 -3.938 -2.094 1.00 1.89 H new ATOM 0 HH22 ARG A 19 24.992 -5.271 -3.248 1.00 1.89 H new ATOM 314 N TYR A 20 22.329 1.281 -1.145 1.00 0.02 N ATOM 315 CA TYR A 20 21.966 0.768 0.213 1.00 0.02 C ATOM 316 C TYR A 20 21.110 -0.489 0.044 1.00 0.02 C ATOM 317 O TYR A 20 20.126 -0.484 -0.667 1.00 0.02 O ATOM 318 CB TYR A 20 21.171 1.833 0.972 1.00 0.02 C ATOM 319 CG TYR A 20 20.694 1.264 2.290 1.00 0.01 C ATOM 320 CD1 TYR A 20 21.627 0.894 3.267 1.00 0.02 C ATOM 321 CD2 TYR A 20 19.323 1.103 2.537 1.00 0.01 C ATOM 322 CE1 TYR A 20 21.191 0.363 4.487 1.00 0.02 C ATOM 323 CE2 TYR A 20 18.889 0.573 3.758 1.00 0.02 C ATOM 324 CZ TYR A 20 19.823 0.203 4.733 1.00 0.02 C ATOM 325 OH TYR A 20 19.394 -0.320 5.936 1.00 0.01 O ATOM 0 H TYR A 20 21.549 1.339 -1.800 1.00 0.02 H new ATOM 0 HA TYR A 20 22.869 0.533 0.777 1.00 0.02 H new ATOM 0 HB2 TYR A 20 21.793 2.711 1.147 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.319 2.160 0.376 1.00 0.02 H new ATOM 0 HD1 TYR A 20 22.683 1.018 3.079 1.00 0.02 H new ATOM 0 HD2 TYR A 20 18.602 1.388 1.785 1.00 0.01 H new ATOM 0 HE1 TYR A 20 21.911 0.077 5.239 1.00 0.02 H new ATOM 0 HE2 TYR A 20 17.833 0.450 3.948 1.00 0.02 H new ATOM 0 HH TYR A 20 18.415 -0.363 5.944 1.00 0.01 H new ATOM 335 N ASP A 21 21.484 -1.569 0.685 1.00 0.01 N ATOM 336 CA ASP A 21 20.710 -2.848 0.562 1.00 0.02 C ATOM 337 C ASP A 21 20.030 -3.165 1.894 1.00 0.00 C ATOM 338 O ASP A 21 20.616 -3.037 2.949 1.00 0.01 O ATOM 339 CB ASP A 21 21.679 -3.979 0.208 1.00 0.12 C ATOM 340 CG ASP A 21 22.209 -3.773 -1.212 1.00 0.41 C ATOM 341 OD1 ASP A 21 22.855 -2.764 -1.442 1.00 1.12 O ATOM 342 OD2 ASP A 21 21.960 -4.628 -2.045 1.00 0.56 O ATOM 0 H ASP A 21 22.300 -1.621 1.295 1.00 0.01 H new ATOM 0 HA ASP A 21 19.952 -2.747 -0.215 1.00 0.02 H new ATOM 0 HB2 ASP A 21 22.507 -3.998 0.917 1.00 0.12 H new ATOM 0 HB3 ASP A 21 21.173 -4.942 0.282 1.00 0.12 H new ATOM 347 N CYS A 22 18.782 -3.572 1.843 1.00 0.01 N ATOM 348 CA CYS A 22 18.029 -3.897 3.096 1.00 0.00 C ATOM 349 C CYS A 22 17.358 -5.264 2.950 1.00 0.02 C ATOM 350 O CYS A 22 16.811 -5.598 1.912 1.00 0.01 O ATOM 351 CB CYS A 22 16.972 -2.818 3.340 1.00 0.00 C ATOM 352 SG CYS A 22 16.368 -2.939 5.043 1.00 0.02 S ATOM 0 H CYS A 22 18.251 -3.693 0.981 1.00 0.01 H new ATOM 0 HA CYS A 22 18.715 -3.928 3.942 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.398 -1.830 3.163 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.145 -2.939 2.640 1.00 0.00 H new ATOM 0 HG CYS A 22 15.239 -3.583 5.058 1.00 0.02 H new ATOM 358 N ASP A 23 17.406 -6.060 3.992 1.00 0.01 N ATOM 359 CA ASP A 23 16.789 -7.424 3.958 1.00 0.02 C ATOM 360 C ASP A 23 15.670 -7.509 4.999 1.00 0.00 C ATOM 361 O ASP A 23 15.156 -8.572 5.284 1.00 0.02 O ATOM 362 CB ASP A 23 17.860 -8.470 4.278 1.00 0.16 C ATOM 363 CG ASP A 23 18.430 -8.209 5.673 1.00 0.17 C ATOM 364 OD1 ASP A 23 19.033 -7.165 5.861 1.00 0.20 O ATOM 365 OD2 ASP A 23 18.254 -9.058 6.531 1.00 0.17 O ATOM 0 H ASP A 23 17.853 -5.818 4.877 1.00 0.01 H new ATOM 0 HA ASP A 23 16.375 -7.611 2.967 1.00 0.02 H new ATOM 0 HB2 ASP A 23 17.431 -9.471 4.231 1.00 0.16 H new ATOM 0 HB3 ASP A 23 18.656 -8.429 3.535 1.00 0.16 H new ATOM 370 N CYS A 24 15.279 -6.397 5.562 1.00 0.01 N ATOM 371 CA CYS A 24 14.185 -6.410 6.576 1.00 0.01 C ATOM 372 C CYS A 24 13.577 -5.009 6.655 1.00 0.01 C ATOM 373 O CYS A 24 14.065 -4.086 6.032 1.00 0.01 O ATOM 374 CB CYS A 24 14.753 -6.806 7.941 1.00 0.62 C ATOM 375 SG CYS A 24 16.289 -5.896 8.242 1.00 1.23 S ATOM 0 H CYS A 24 15.672 -5.477 5.362 1.00 0.01 H new ATOM 0 HA CYS A 24 13.419 -7.131 6.290 1.00 0.01 H new ATOM 0 HB2 CYS A 24 14.029 -6.588 8.726 1.00 0.62 H new ATOM 0 HB3 CYS A 24 14.942 -7.879 7.971 1.00 0.62 H new ATOM 0 HG CYS A 24 16.771 -6.230 9.402 1.00 1.23 H new ATOM 381 N ASP A 25 12.517 -4.825 7.397 1.00 0.02 N ATOM 382 CA ASP A 25 11.896 -3.472 7.484 1.00 0.01 C ATOM 383 C ASP A 25 12.878 -2.474 8.100 1.00 0.02 C ATOM 384 O ASP A 25 13.637 -2.802 8.990 1.00 0.00 O ATOM 385 CB ASP A 25 10.652 -3.547 8.369 1.00 0.01 C ATOM 386 CG ASP A 25 11.002 -4.248 9.683 1.00 0.01 C ATOM 387 OD1 ASP A 25 11.770 -3.685 10.445 1.00 0.01 O ATOM 388 OD2 ASP A 25 10.496 -5.336 9.904 1.00 0.01 O ATOM 0 H ASP A 25 12.056 -5.551 7.945 1.00 0.02 H new ATOM 0 HA ASP A 25 11.630 -3.142 6.480 1.00 0.01 H new ATOM 0 HB2 ASP A 25 10.274 -2.544 8.569 1.00 0.01 H new ATOM 0 HB3 ASP A 25 9.859 -4.090 7.855 1.00 0.01 H new ATOM 393 N CYS A 26 12.839 -1.244 7.649 1.00 0.01 N ATOM 394 CA CYS A 26 13.735 -0.185 8.216 1.00 0.01 C ATOM 395 C CYS A 26 12.891 1.063 8.498 1.00 0.01 C ATOM 396 O CYS A 26 12.299 1.635 7.605 1.00 0.01 O ATOM 397 CB CYS A 26 14.853 0.147 7.221 1.00 0.01 C ATOM 398 SG CYS A 26 14.157 0.982 5.774 1.00 0.02 S ATOM 0 H CYS A 26 12.219 -0.924 6.905 1.00 0.01 H new ATOM 0 HA CYS A 26 14.194 -0.540 9.139 1.00 0.01 H new ATOM 0 HB2 CYS A 26 15.598 0.784 7.697 1.00 0.01 H new ATOM 0 HB3 CYS A 26 15.363 -0.766 6.915 1.00 0.01 H new ATOM 0 HG CYS A 26 13.245 0.229 5.235 1.00 0.02 H new ATOM 404 N ALA A 27 12.797 1.463 9.741 1.00 0.01 N ATOM 405 CA ALA A 27 11.952 2.643 10.088 1.00 0.01 C ATOM 406 C ALA A 27 12.660 3.945 9.713 1.00 0.01 C ATOM 407 O ALA A 27 12.031 4.969 9.517 1.00 0.02 O ATOM 408 CB ALA A 27 11.658 2.635 11.589 1.00 0.24 C ATOM 0 H ALA A 27 13.270 1.022 10.530 1.00 0.01 H new ATOM 0 HA ALA A 27 11.019 2.581 9.527 1.00 0.01 H new ATOM 0 HB1 ALA A 27 11.041 3.497 11.843 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.128 1.719 11.851 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.595 2.684 12.144 1.00 0.24 H new ATOM 414 N ASP A 28 13.961 3.920 9.621 1.00 0.01 N ATOM 415 CA ASP A 28 14.715 5.155 9.261 1.00 0.02 C ATOM 416 C ASP A 28 16.045 4.747 8.624 1.00 0.01 C ATOM 417 O ASP A 28 16.983 4.386 9.308 1.00 0.02 O ATOM 418 CB ASP A 28 14.979 5.980 10.522 1.00 0.67 C ATOM 419 CG ASP A 28 15.718 5.121 11.550 1.00 0.90 C ATOM 420 OD1 ASP A 28 15.702 3.910 11.403 1.00 0.87 O ATOM 421 OD2 ASP A 28 16.289 5.690 12.467 1.00 1.14 O ATOM 0 H ASP A 28 14.537 3.094 9.780 1.00 0.01 H new ATOM 0 HA ASP A 28 14.136 5.755 8.559 1.00 0.02 H new ATOM 0 HB2 ASP A 28 15.572 6.861 10.275 1.00 0.67 H new ATOM 0 HB3 ASP A 28 14.037 6.336 10.940 1.00 0.67 H new ATOM 426 N PHE A 29 16.131 4.810 7.316 1.00 0.02 N ATOM 427 CA PHE A 29 17.406 4.429 6.610 1.00 0.02 C ATOM 428 C PHE A 29 18.115 5.682 6.080 1.00 0.00 C ATOM 429 O PHE A 29 19.053 5.616 5.306 1.00 0.02 O ATOM 430 CB PHE A 29 17.114 3.433 5.480 1.00 2.87 C ATOM 431 CG PHE A 29 16.516 4.126 4.283 1.00 3.99 C ATOM 432 CD1 PHE A 29 15.152 4.422 4.259 1.00 4.52 C ATOM 433 CD2 PHE A 29 17.324 4.450 3.186 1.00 4.68 C ATOM 434 CE1 PHE A 29 14.592 5.044 3.140 1.00 5.75 C ATOM 435 CE2 PHE A 29 16.763 5.069 2.066 1.00 5.85 C ATOM 436 CZ PHE A 29 15.398 5.367 2.044 1.00 6.37 C ATOM 0 H PHE A 29 15.374 5.109 6.702 1.00 0.02 H new ATOM 0 HA PHE A 29 18.072 3.941 7.321 1.00 0.02 H new ATOM 0 HB2 PHE A 29 18.036 2.929 5.189 1.00 2.87 H new ATOM 0 HB3 PHE A 29 16.429 2.664 5.838 1.00 2.87 H new ATOM 0 HD1 PHE A 29 14.530 4.170 5.105 1.00 4.52 H new ATOM 0 HD2 PHE A 29 18.379 4.222 3.206 1.00 4.68 H new ATOM 0 HE1 PHE A 29 13.537 5.275 3.122 1.00 5.75 H new ATOM 0 HE2 PHE A 29 17.384 5.317 1.218 1.00 5.85 H new ATOM 0 HZ PHE A 29 14.965 5.848 1.179 1.00 6.37 H new ATOM 446 N ARG A 30 17.643 6.829 6.484 1.00 0.01 N ATOM 447 CA ARG A 30 18.246 8.109 6.021 1.00 0.00 C ATOM 448 C ARG A 30 19.728 8.181 6.409 1.00 0.01 C ATOM 449 O ARG A 30 20.492 8.913 5.812 1.00 0.02 O ATOM 450 CB ARG A 30 17.506 9.283 6.669 1.00 0.32 C ATOM 451 CG ARG A 30 16.018 9.254 6.280 1.00 0.86 C ATOM 452 CD ARG A 30 15.814 9.898 4.902 1.00 1.62 C ATOM 453 NE ARG A 30 14.356 10.019 4.624 1.00 2.25 N ATOM 454 CZ ARG A 30 13.938 10.792 3.659 1.00 2.70 C ATOM 455 NH1 ARG A 30 14.798 11.458 2.937 1.00 3.11 N ATOM 456 NH2 ARG A 30 12.662 10.897 3.414 1.00 3.02 N ATOM 0 H ARG A 30 16.855 6.934 7.123 1.00 0.01 H new ATOM 0 HA ARG A 30 18.160 8.160 4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.607 9.232 7.753 1.00 0.32 H new ATOM 0 HB3 ARG A 30 17.954 10.224 6.351 1.00 0.32 H new ATOM 0 HG2 ARG A 30 15.659 8.225 6.264 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.429 9.785 7.028 1.00 0.86 H new ATOM 0 HD2 ARG A 30 16.284 10.881 4.875 1.00 1.62 H new ATOM 0 HD3 ARG A 30 16.294 9.294 4.132 1.00 1.62 H new ATOM 0 HE ARG A 30 13.684 9.498 5.188 1.00 2.25 H new ATOM 0 HH11 ARG A 30 15.797 11.374 3.127 1.00 3.11 H new ATOM 0 HH12 ARG A 30 14.471 12.062 2.183 1.00 3.11 H new ATOM 0 HH21 ARG A 30 11.990 10.375 3.977 1.00 3.02 H new ATOM 0 HH22 ARG A 30 12.336 11.501 2.660 1.00 3.02 H new ATOM 470 N SER A 31 20.147 7.452 7.413 1.00 0.02 N ATOM 471 CA SER A 31 21.578 7.514 7.836 1.00 0.02 C ATOM 472 C SER A 31 22.458 6.749 6.848 1.00 0.01 C ATOM 473 O SER A 31 23.664 6.895 6.836 1.00 0.02 O ATOM 474 CB SER A 31 21.720 6.887 9.224 1.00 0.37 C ATOM 475 OG SER A 31 20.907 7.598 10.147 1.00 0.88 O ATOM 0 H SER A 31 19.561 6.818 7.956 1.00 0.02 H new ATOM 0 HA SER A 31 21.895 8.557 7.860 1.00 0.02 H new ATOM 0 HB2 SER A 31 21.424 5.838 9.194 1.00 0.37 H new ATOM 0 HB3 SER A 31 22.762 6.915 9.543 1.00 0.37 H new ATOM 0 HG SER A 31 20.995 7.197 11.037 1.00 0.88 H new ATOM 481 N TYR A 32 21.865 5.920 6.031 1.00 0.01 N ATOM 482 CA TYR A 32 22.660 5.121 5.049 1.00 0.01 C ATOM 483 C TYR A 32 22.519 5.742 3.663 1.00 0.02 C ATOM 484 O TYR A 32 23.335 5.529 2.787 1.00 0.02 O ATOM 485 CB TYR A 32 22.117 3.691 5.018 1.00 0.02 C ATOM 486 CG TYR A 32 22.468 2.992 6.310 1.00 0.02 C ATOM 487 CD1 TYR A 32 23.752 2.468 6.493 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.510 2.869 7.323 1.00 0.01 C ATOM 489 CE1 TYR A 32 24.081 1.821 7.691 1.00 0.00 C ATOM 490 CE2 TYR A 32 21.837 2.222 8.520 1.00 0.02 C ATOM 491 CZ TYR A 32 23.123 1.697 8.704 1.00 0.02 C ATOM 492 OH TYR A 32 23.446 1.060 9.885 1.00 0.02 O ATOM 0 H TYR A 32 20.858 5.760 6.000 1.00 0.01 H new ATOM 0 HA TYR A 32 23.710 5.114 5.341 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.036 3.704 4.881 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.539 3.148 4.172 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.490 2.562 5.710 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.519 3.273 7.181 1.00 0.01 H new ATOM 0 HE1 TYR A 32 25.073 1.418 7.833 1.00 0.00 H new ATOM 0 HE2 TYR A 32 21.098 2.127 9.302 1.00 0.02 H new ATOM 0 HH TYR A 32 22.668 1.062 10.481 1.00 0.02 H new ATOM 502 N LEU A 33 21.483 6.506 3.453 1.00 0.02 N ATOM 503 CA LEU A 33 21.274 7.142 2.117 1.00 0.02 C ATOM 504 C LEU A 33 20.526 8.472 2.305 1.00 0.02 C ATOM 505 O LEU A 33 19.513 8.547 2.974 1.00 0.02 O ATOM 506 CB LEU A 33 20.427 6.185 1.248 1.00 1.66 C ATOM 507 CG LEU A 33 20.917 6.202 -0.214 1.00 2.38 C ATOM 508 CD1 LEU A 33 22.346 5.617 -0.317 1.00 3.32 C ATOM 509 CD2 LEU A 33 19.956 5.370 -1.075 1.00 2.80 C ATOM 0 H LEU A 33 20.769 6.719 4.149 1.00 0.02 H new ATOM 0 HA LEU A 33 22.231 7.334 1.631 1.00 0.02 H new ATOM 0 HB2 LEU A 33 20.489 5.172 1.646 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.378 6.480 1.289 1.00 1.66 H new ATOM 0 HG LEU A 33 20.939 7.232 -0.569 1.00 2.38 H new ATOM 0 HD11 LEU A 33 22.674 5.638 -1.356 1.00 3.32 H new ATOM 0 HD12 LEU A 33 23.028 6.213 0.290 1.00 3.32 H new ATOM 0 HD13 LEU A 33 22.345 4.588 0.042 1.00 3.32 H new ATOM 0 HD21 LEU A 33 20.296 5.377 -2.111 1.00 2.80 H new ATOM 0 HD22 LEU A 33 19.934 4.344 -0.708 1.00 2.80 H new ATOM 0 HD23 LEU A 33 18.955 5.797 -1.019 1.00 2.80 H new ATOM 521 N SER A 34 21.046 9.521 1.724 1.00 0.02 N ATOM 522 CA SER A 34 20.409 10.864 1.862 1.00 0.02 C ATOM 523 C SER A 34 19.308 11.054 0.812 1.00 0.00 C ATOM 524 O SER A 34 18.539 11.992 0.875 1.00 0.01 O ATOM 525 CB SER A 34 21.477 11.943 1.674 1.00 0.02 C ATOM 526 OG SER A 34 20.900 13.221 1.905 1.00 0.02 O ATOM 0 H SER A 34 21.892 9.505 1.155 1.00 0.02 H new ATOM 0 HA SER A 34 19.961 10.941 2.853 1.00 0.02 H new ATOM 0 HB2 SER A 34 22.305 11.775 2.363 1.00 0.02 H new ATOM 0 HB3 SER A 34 21.887 11.893 0.665 1.00 0.02 H new ATOM 0 HG SER A 34 19.957 13.207 1.638 1.00 0.02 H new ATOM 532 N ARG A 35 19.219 10.174 -0.148 1.00 0.02 N ATOM 533 CA ARG A 35 18.167 10.296 -1.199 1.00 0.01 C ATOM 534 C ARG A 35 18.175 9.006 -2.025 1.00 0.02 C ATOM 535 O ARG A 35 19.131 8.257 -1.998 1.00 0.02 O ATOM 536 CB ARG A 35 18.475 11.487 -2.108 1.00 0.02 C ATOM 537 CG ARG A 35 19.956 11.468 -2.493 1.00 0.02 C ATOM 538 CD ARG A 35 20.254 12.637 -3.434 1.00 0.02 C ATOM 539 NE ARG A 35 19.837 13.912 -2.787 1.00 0.02 N ATOM 540 CZ ARG A 35 20.261 15.053 -3.260 1.00 0.02 C ATOM 541 NH1 ARG A 35 21.049 15.077 -4.300 1.00 0.00 N ATOM 542 NH2 ARG A 35 19.896 16.171 -2.693 1.00 0.02 N ATOM 0 H ARG A 35 19.836 9.368 -0.250 1.00 0.02 H new ATOM 0 HA ARG A 35 17.191 10.452 -0.740 1.00 0.01 H new ATOM 0 HB2 ARG A 35 17.855 11.444 -3.004 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.233 12.419 -1.598 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.576 11.540 -1.599 1.00 0.02 H new ATOM 0 HG3 ARG A 35 20.204 10.524 -2.978 1.00 0.02 H new ATOM 0 HD2 ARG A 35 21.318 12.667 -3.669 1.00 0.02 H new ATOM 0 HD3 ARG A 35 19.723 12.504 -4.376 1.00 0.02 H new ATOM 0 HE ARG A 35 19.220 13.894 -1.975 1.00 0.02 H new ATOM 0 HH11 ARG A 35 21.334 14.204 -4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 35 21.380 15.969 -4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 35 19.280 16.153 -1.880 1.00 0.02 H new ATOM 0 HH22 ARG A 35 20.227 17.062 -3.063 1.00 0.02 H new ATOM 556 N CYS A 36 17.126 8.729 -2.759 1.00 0.02 N ATOM 557 CA CYS A 36 17.084 7.481 -3.583 1.00 0.02 C ATOM 558 C CYS A 36 16.361 7.776 -4.904 1.00 0.02 C ATOM 559 O CYS A 36 15.195 8.118 -4.896 1.00 0.02 O ATOM 560 CB CYS A 36 16.325 6.402 -2.804 1.00 0.02 C ATOM 561 SG CYS A 36 15.768 5.100 -3.929 1.00 0.02 S ATOM 0 H CYS A 36 16.294 9.315 -2.823 1.00 0.02 H new ATOM 0 HA CYS A 36 18.095 7.134 -3.797 1.00 0.02 H new ATOM 0 HB2 CYS A 36 16.969 5.977 -2.034 1.00 0.02 H new ATOM 0 HB3 CYS A 36 15.469 6.844 -2.295 1.00 0.02 H new ATOM 0 HG CYS A 36 16.754 4.737 -4.694 1.00 0.02 H new ATOM 567 N ASN A 37 17.029 7.680 -6.037 1.00 0.02 N ATOM 568 CA ASN A 37 16.346 7.999 -7.340 1.00 0.01 C ATOM 569 C ASN A 37 16.113 6.734 -8.181 1.00 0.02 C ATOM 570 O ASN A 37 15.566 6.789 -9.265 1.00 0.02 O ATOM 571 CB ASN A 37 17.207 8.977 -8.142 1.00 0.02 C ATOM 572 CG ASN A 37 17.157 10.357 -7.485 1.00 0.01 C ATOM 573 OD1 ASN A 37 16.795 11.392 -8.195 1.00 0.03 O flip ATOM 574 ND2 ASN A 37 17.449 10.496 -6.314 1.00 0.02 N flip ATOM 0 H ASN A 37 18.006 7.398 -6.116 1.00 0.02 H new ATOM 0 HA ASN A 37 15.377 8.442 -7.109 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.236 8.620 -8.186 1.00 0.02 H new ATOM 0 HB3 ASN A 37 16.846 9.038 -9.169 1.00 0.02 H new ATOM 0 HD21 ASN A 37 17.732 9.688 -5.759 1.00 0.02 H new ATOM 0 HD22 ASN A 37 17.411 11.421 -5.885 1.00 0.02 H new ATOM 581 N SER A 38 16.503 5.593 -7.677 1.00 0.02 N ATOM 582 CA SER A 38 16.287 4.316 -8.422 1.00 0.02 C ATOM 583 C SER A 38 16.275 3.168 -7.411 1.00 0.01 C ATOM 584 O SER A 38 16.833 3.274 -6.337 1.00 0.02 O ATOM 585 CB SER A 38 17.399 4.100 -9.450 1.00 0.01 C ATOM 586 OG SER A 38 17.241 2.821 -10.053 1.00 0.02 O ATOM 0 H SER A 38 16.966 5.490 -6.774 1.00 0.02 H new ATOM 0 HA SER A 38 15.338 4.357 -8.957 1.00 0.02 H new ATOM 0 HB2 SER A 38 17.363 4.880 -10.210 1.00 0.01 H new ATOM 0 HB3 SER A 38 18.374 4.169 -8.968 1.00 0.01 H new ATOM 0 HG SER A 38 16.289 2.647 -10.206 1.00 0.02 H new ATOM 592 N ILE A 39 15.621 2.077 -7.728 1.00 0.02 N ATOM 593 CA ILE A 39 15.554 0.941 -6.752 1.00 0.02 C ATOM 594 C ILE A 39 15.549 -0.405 -7.481 1.00 0.02 C ATOM 595 O ILE A 39 14.980 -0.566 -8.541 1.00 0.02 O ATOM 596 CB ILE A 39 14.255 1.057 -5.947 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.118 2.487 -5.422 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.286 0.079 -4.767 1.00 0.01 C ATOM 599 CD1 ILE A 39 12.932 2.581 -4.459 1.00 0.00 C ATOM 0 H ILE A 39 15.135 1.923 -8.611 1.00 0.02 H new ATOM 0 HA ILE A 39 16.426 0.991 -6.100 1.00 0.02 H new ATOM 0 HB ILE A 39 13.407 0.816 -6.588 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.035 2.785 -4.913 1.00 0.01 H new ATOM 0 HG13 ILE A 39 13.977 3.177 -6.254 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.360 0.166 -4.198 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.388 -0.940 -5.141 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.132 0.315 -4.121 1.00 0.01 H new ATOM 0 HD11 ILE A 39 12.843 3.603 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.017 2.302 -4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.091 1.905 -3.619 1.00 0.00 H new ATOM 611 N ARG A 40 16.147 -1.397 -6.865 1.00 0.02 N ATOM 612 CA ARG A 40 16.159 -2.776 -7.440 1.00 0.02 C ATOM 613 C ARG A 40 15.547 -3.722 -6.405 1.00 0.01 C ATOM 614 O ARG A 40 16.029 -3.820 -5.295 1.00 0.02 O ATOM 615 CB ARG A 40 17.588 -3.235 -7.753 1.00 0.01 C ATOM 616 CG ARG A 40 17.546 -4.577 -8.487 1.00 0.02 C ATOM 617 CD ARG A 40 18.937 -4.903 -9.037 1.00 0.02 C ATOM 618 NE ARG A 40 19.956 -4.684 -7.972 1.00 0.02 N ATOM 619 CZ ARG A 40 21.158 -5.170 -8.110 1.00 0.02 C ATOM 620 NH1 ARG A 40 21.469 -5.848 -9.182 1.00 0.02 N ATOM 621 NH2 ARG A 40 22.051 -4.980 -7.177 1.00 0.02 N ATOM 0 H ARG A 40 16.635 -1.306 -5.974 1.00 0.02 H new ATOM 0 HA ARG A 40 15.591 -2.782 -8.370 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.094 -2.489 -8.366 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.160 -3.331 -6.830 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.218 -5.364 -7.808 1.00 0.02 H new ATOM 0 HG3 ARG A 40 16.822 -4.536 -9.301 1.00 0.02 H new ATOM 0 HD2 ARG A 40 18.971 -5.937 -9.381 1.00 0.02 H new ATOM 0 HD3 ARG A 40 19.156 -4.273 -9.899 1.00 0.02 H new ATOM 0 HE ARG A 40 19.713 -4.154 -7.135 1.00 0.02 H new ATOM 0 HH11 ARG A 40 20.772 -5.997 -9.911 1.00 0.02 H new ATOM 0 HH12 ARG A 40 22.409 -6.228 -9.290 1.00 0.02 H new ATOM 0 HH21 ARG A 40 21.809 -4.451 -6.339 1.00 0.02 H new ATOM 0 HH22 ARG A 40 22.991 -5.361 -7.286 1.00 0.02 H new ATOM 635 N VAL A 41 14.524 -4.451 -6.765 1.00 0.02 N ATOM 636 CA VAL A 41 13.922 -5.434 -5.812 1.00 0.01 C ATOM 637 C VAL A 41 14.339 -6.822 -6.290 1.00 0.02 C ATOM 638 O VAL A 41 13.965 -7.250 -7.364 1.00 0.02 O ATOM 639 CB VAL A 41 12.401 -5.294 -5.797 1.00 0.01 C ATOM 640 CG1 VAL A 41 11.823 -6.205 -4.712 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.039 -3.843 -5.473 1.00 0.00 C ATOM 0 H VAL A 41 14.077 -4.409 -7.681 1.00 0.02 H new ATOM 0 HA VAL A 41 14.269 -5.260 -4.793 1.00 0.01 H new ATOM 0 HB VAL A 41 11.994 -5.573 -6.769 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.737 -6.109 -4.697 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.093 -7.240 -4.924 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.226 -5.916 -3.741 1.00 0.02 H new ATOM 0 HG21 VAL A 41 10.955 -3.733 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.443 -3.577 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.462 -3.184 -6.232 1.00 0.00 H new ATOM 651 N GLU A 42 15.138 -7.511 -5.516 1.00 0.01 N ATOM 652 CA GLU A 42 15.622 -8.859 -5.940 1.00 0.01 C ATOM 653 C GLU A 42 14.595 -9.929 -5.586 1.00 0.02 C ATOM 654 O GLU A 42 14.440 -10.903 -6.296 1.00 0.01 O ATOM 655 CB GLU A 42 16.946 -9.172 -5.238 1.00 0.99 C ATOM 656 CG GLU A 42 17.637 -10.340 -5.945 1.00 1.86 C ATOM 657 CD GLU A 42 18.175 -9.874 -7.299 1.00 3.10 C ATOM 658 OE1 GLU A 42 18.124 -8.683 -7.557 1.00 3.81 O ATOM 659 OE2 GLU A 42 18.627 -10.717 -8.056 1.00 3.67 O ATOM 0 H GLU A 42 15.477 -7.197 -4.607 1.00 0.01 H new ATOM 0 HA GLU A 42 15.769 -8.855 -7.020 1.00 0.01 H new ATOM 0 HB2 GLU A 42 17.592 -8.294 -5.249 1.00 0.99 H new ATOM 0 HB3 GLU A 42 16.765 -9.422 -4.193 1.00 0.99 H new ATOM 0 HG2 GLU A 42 18.452 -10.720 -5.329 1.00 1.86 H new ATOM 0 HG3 GLU A 42 16.934 -11.161 -6.085 1.00 1.86 H new ATOM 666 N GLY A 43 13.899 -9.780 -4.496 1.00 0.01 N ATOM 667 CA GLY A 43 12.906 -10.821 -4.127 1.00 0.02 C ATOM 668 C GLY A 43 11.919 -10.278 -3.099 1.00 0.02 C ATOM 669 O GLY A 43 12.266 -9.445 -2.278 1.00 0.02 O ATOM 0 H GLY A 43 13.973 -8.992 -3.852 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.369 -11.151 -5.016 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.419 -11.694 -3.722 1.00 0.02 H new ATOM 673 N GLY A 44 10.706 -10.760 -3.118 1.00 0.00 N ATOM 674 CA GLY A 44 9.699 -10.287 -2.125 1.00 0.01 C ATOM 675 C GLY A 44 9.014 -9.012 -2.630 1.00 0.01 C ATOM 676 O GLY A 44 9.416 -8.422 -3.613 1.00 0.01 O ATOM 0 H GLY A 44 10.369 -11.461 -3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.955 -11.064 -1.953 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.184 -10.093 -1.168 1.00 0.01 H new ATOM 680 N THR A 45 8.000 -8.574 -1.928 1.00 0.01 N ATOM 681 CA THR A 45 7.279 -7.314 -2.309 1.00 0.00 C ATOM 682 C THR A 45 7.436 -6.327 -1.152 1.00 0.01 C ATOM 683 O THR A 45 7.343 -6.708 -0.005 1.00 0.01 O ATOM 684 CB THR A 45 5.793 -7.628 -2.529 1.00 0.73 C ATOM 685 OG1 THR A 45 5.652 -8.434 -3.691 1.00 0.88 O ATOM 686 CG2 THR A 45 5.000 -6.329 -2.708 1.00 1.48 C ATOM 0 H THR A 45 7.634 -9.039 -1.097 1.00 0.01 H new ATOM 0 HA THR A 45 7.687 -6.892 -3.227 1.00 0.00 H new ATOM 0 HB THR A 45 5.407 -8.161 -1.660 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.704 -8.638 -3.834 1.00 0.88 H new ATOM 0 HG21 THR A 45 3.947 -6.564 -2.863 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.106 -5.712 -1.816 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.382 -5.786 -3.572 1.00 1.48 H new ATOM 694 N TRP A 46 7.752 -5.078 -1.423 1.00 0.02 N ATOM 695 CA TRP A 46 7.989 -4.105 -0.302 1.00 0.01 C ATOM 696 C TRP A 46 7.148 -2.836 -0.443 1.00 0.01 C ATOM 697 O TRP A 46 6.791 -2.403 -1.521 1.00 0.01 O ATOM 698 CB TRP A 46 9.466 -3.708 -0.306 1.00 0.00 C ATOM 699 CG TRP A 46 10.301 -4.901 0.025 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.447 -5.990 -0.764 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.107 -5.145 1.213 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.288 -6.889 -0.134 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.722 -6.413 1.087 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.359 -4.395 2.375 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.560 -6.919 2.083 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.203 -4.902 3.377 1.00 0.02 C ATOM 707 CH2 TRP A 46 12.801 -6.161 3.231 1.00 0.01 C ATOM 0 H TRP A 46 7.855 -4.693 -2.362 1.00 0.02 H new ATOM 0 HA TRP A 46 7.703 -4.595 0.629 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.746 -3.315 -1.283 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.643 -2.914 0.420 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.983 -6.134 -1.728 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.555 -7.793 -0.524 1.00 0.00 H new ATOM 0 HE3 TRP A 46 10.902 -3.424 2.498 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.019 -7.890 1.966 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.392 -4.318 4.265 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.448 -6.545 4.006 1.00 0.01 H new ATOM 718 N ALA A 47 6.898 -2.211 0.679 1.00 0.01 N ATOM 719 CA ALA A 47 6.157 -0.917 0.714 1.00 0.01 C ATOM 720 C ALA A 47 7.198 0.135 1.093 1.00 0.01 C ATOM 721 O ALA A 47 7.966 -0.052 2.015 1.00 0.01 O ATOM 722 CB ALA A 47 5.042 -0.974 1.763 1.00 0.24 C ATOM 0 H ALA A 47 7.185 -2.554 1.596 1.00 0.01 H new ATOM 0 HA ALA A 47 5.684 -0.690 -0.241 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.508 -0.024 1.779 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.347 -1.776 1.513 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.476 -1.163 2.745 1.00 0.24 H new ATOM 728 N VAL A 48 7.217 1.249 0.401 1.00 0.01 N ATOM 729 CA VAL A 48 8.198 2.335 0.725 1.00 0.02 C ATOM 730 C VAL A 48 7.440 3.597 1.131 1.00 0.01 C ATOM 731 O VAL A 48 6.386 3.890 0.597 1.00 0.01 O ATOM 732 CB VAL A 48 9.074 2.627 -0.493 1.00 0.09 C ATOM 733 CG1 VAL A 48 9.883 1.379 -0.850 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.189 3.016 -1.682 1.00 0.65 C ATOM 0 H VAL A 48 6.592 1.454 -0.379 1.00 0.01 H new ATOM 0 HA VAL A 48 8.835 2.012 1.549 1.00 0.02 H new ATOM 0 HB VAL A 48 9.752 3.448 -0.261 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.508 1.587 -1.719 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.515 1.101 -0.006 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.203 0.558 -1.080 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.816 3.224 -2.549 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.509 2.196 -1.913 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.612 3.906 -1.430 1.00 0.65 H new ATOM 744 N TYR A 49 7.968 4.343 2.076 1.00 0.01 N ATOM 745 CA TYR A 49 7.281 5.593 2.536 1.00 0.01 C ATOM 746 C TYR A 49 8.195 6.803 2.325 1.00 0.01 C ATOM 747 O TYR A 49 9.407 6.730 2.424 1.00 0.02 O ATOM 748 CB TYR A 49 6.930 5.460 4.019 1.00 0.01 C ATOM 749 CG TYR A 49 5.812 4.453 4.177 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.066 3.090 3.979 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.524 4.881 4.523 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.034 2.157 4.127 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.492 3.947 4.670 1.00 0.01 C ATOM 754 CZ TYR A 49 3.747 2.585 4.472 1.00 0.02 C ATOM 755 OH TYR A 49 2.730 1.664 4.618 1.00 0.01 O ATOM 0 H TYR A 49 8.848 4.138 2.549 1.00 0.01 H new ATOM 0 HA TYR A 49 6.369 5.737 1.957 1.00 0.01 H new ATOM 0 HB2 TYR A 49 7.805 5.141 4.585 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.625 6.426 4.421 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.059 2.759 3.712 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.327 5.932 4.676 1.00 0.01 H new ATOM 0 HE1 TYR A 49 5.231 1.106 3.975 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.499 4.277 4.936 1.00 0.01 H new ATOM 0 HH TYR A 49 1.901 2.127 4.860 1.00 0.01 H new ATOM 765 N GLU A 50 7.596 7.911 1.981 1.00 0.01 N ATOM 766 CA GLU A 50 8.368 9.152 1.690 1.00 0.01 C ATOM 767 C GLU A 50 9.074 9.680 2.943 1.00 0.01 C ATOM 768 O GLU A 50 10.137 10.261 2.848 1.00 0.02 O ATOM 769 CB GLU A 50 7.391 10.214 1.173 1.00 0.02 C ATOM 770 CG GLU A 50 8.160 11.323 0.445 1.00 0.01 C ATOM 771 CD GLU A 50 8.526 10.858 -0.968 1.00 0.02 C ATOM 772 OE1 GLU A 50 8.449 9.666 -1.217 1.00 0.01 O ATOM 773 OE2 GLU A 50 8.876 11.702 -1.777 1.00 0.02 O ATOM 0 H GLU A 50 6.585 8.009 1.888 1.00 0.01 H new ATOM 0 HA GLU A 50 9.132 8.927 0.946 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.668 9.757 0.497 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.827 10.637 2.004 1.00 0.02 H new ATOM 0 HG2 GLU A 50 7.553 12.227 0.395 1.00 0.01 H new ATOM 0 HG3 GLU A 50 9.063 11.577 1.000 1.00 0.01 H new ATOM 780 N ARG A 51 8.492 9.517 4.112 1.00 0.02 N ATOM 781 CA ARG A 51 9.140 10.051 5.359 1.00 0.02 C ATOM 782 C ARG A 51 9.317 8.905 6.379 1.00 0.01 C ATOM 783 O ARG A 51 8.624 7.905 6.311 1.00 0.02 O ATOM 784 CB ARG A 51 8.213 11.141 5.947 1.00 0.02 C ATOM 785 CG ARG A 51 8.644 12.528 5.453 1.00 0.01 C ATOM 786 CD ARG A 51 7.644 13.579 5.938 1.00 0.02 C ATOM 787 NE ARG A 51 6.278 13.223 5.460 1.00 0.02 N ATOM 788 CZ ARG A 51 5.231 13.799 5.986 1.00 0.02 C ATOM 789 NH1 ARG A 51 5.379 14.688 6.930 1.00 0.02 N ATOM 790 NH2 ARG A 51 4.034 13.485 5.569 1.00 0.01 N ATOM 0 H ARG A 51 7.602 9.040 4.256 1.00 0.02 H new ATOM 0 HA ARG A 51 10.120 10.471 5.133 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.181 10.947 5.654 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.247 11.108 7.036 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.642 12.763 5.823 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.697 12.537 4.364 1.00 0.01 H new ATOM 0 HD2 ARG A 51 7.657 13.634 7.027 1.00 0.02 H new ATOM 0 HD3 ARG A 51 7.926 14.564 5.566 1.00 0.02 H new ATOM 0 HE ARG A 51 6.161 12.529 4.722 1.00 0.02 H new ATOM 0 HH11 ARG A 51 6.313 14.933 7.258 1.00 0.02 H new ATOM 0 HH12 ARG A 51 4.560 15.137 7.340 1.00 0.02 H new ATOM 0 HH21 ARG A 51 3.917 12.790 4.832 1.00 0.01 H new ATOM 0 HH22 ARG A 51 3.216 13.935 5.980 1.00 0.01 H new ATOM 804 N PRO A 52 10.241 9.053 7.320 1.00 0.02 N ATOM 805 CA PRO A 52 10.494 7.996 8.345 1.00 0.02 C ATOM 806 C PRO A 52 9.221 7.573 9.086 1.00 0.01 C ATOM 807 O PRO A 52 8.200 8.231 9.046 1.00 0.02 O ATOM 808 CB PRO A 52 11.507 8.675 9.295 1.00 0.02 C ATOM 809 CG PRO A 52 11.726 10.125 8.819 1.00 0.01 C ATOM 810 CD PRO A 52 11.098 10.272 7.426 1.00 0.01 C ATOM 0 HA PRO A 52 10.861 7.068 7.906 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.132 8.665 10.319 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.451 8.130 9.295 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.271 10.827 9.517 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.790 10.357 8.783 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.512 11.187 7.341 1.00 0.01 H new ATOM 0 HD3 PRO A 52 11.855 10.304 6.642 1.00 0.01 H new ATOM 818 N ASN A 53 9.320 6.475 9.788 1.00 0.02 N ATOM 819 CA ASN A 53 8.174 5.964 10.591 1.00 0.02 C ATOM 820 C ASN A 53 6.993 5.595 9.693 1.00 0.01 C ATOM 821 O ASN A 53 5.844 5.766 10.048 1.00 0.01 O ATOM 822 CB ASN A 53 7.749 7.033 11.603 1.00 0.01 C ATOM 823 CG ASN A 53 6.908 6.390 12.709 1.00 0.02 C ATOM 824 OD1 ASN A 53 7.434 5.973 13.722 1.00 0.02 O ATOM 825 ND2 ASN A 53 5.616 6.289 12.556 1.00 0.01 N ATOM 0 H ASN A 53 10.162 5.902 9.838 1.00 0.02 H new ATOM 0 HA ASN A 53 8.490 5.063 11.116 1.00 0.02 H new ATOM 0 HB2 ASN A 53 8.629 7.511 12.033 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.175 7.813 11.103 1.00 0.01 H new ATOM 0 HD21 ASN A 53 5.048 5.860 13.287 1.00 0.01 H new ATOM 0 HD22 ASN A 53 5.174 6.639 11.706 1.00 0.01 H new ATOM 832 N PHE A 54 7.283 5.062 8.536 1.00 0.02 N ATOM 833 CA PHE A 54 6.208 4.640 7.597 1.00 0.01 C ATOM 834 C PHE A 54 5.127 5.719 7.489 1.00 0.01 C ATOM 835 O PHE A 54 3.949 5.458 7.635 1.00 0.02 O ATOM 836 CB PHE A 54 5.595 3.327 8.100 1.00 1.78 C ATOM 837 CG PHE A 54 6.684 2.460 8.694 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.797 2.112 7.919 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.583 2.006 10.016 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.808 1.310 8.465 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.593 1.204 10.561 1.00 3.32 C ATOM 842 CZ PHE A 54 8.706 0.857 9.785 1.00 3.39 C ATOM 0 H PHE A 54 8.232 4.900 8.199 1.00 0.02 H new ATOM 0 HA PHE A 54 6.636 4.492 6.605 1.00 0.01 H new ATOM 0 HB2 PHE A 54 4.830 3.533 8.849 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.105 2.803 7.279 1.00 1.78 H new ATOM 0 HD1 PHE A 54 7.876 2.462 6.900 1.00 2.53 H new ATOM 0 HD2 PHE A 54 5.725 2.275 10.615 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.666 1.041 7.867 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.514 0.853 11.579 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.486 0.240 10.206 1.00 3.39 H new ATOM 852 N SER A 55 5.542 6.936 7.230 1.00 0.02 N ATOM 853 CA SER A 55 4.571 8.074 7.102 1.00 0.02 C ATOM 854 C SER A 55 4.772 8.781 5.758 1.00 0.01 C ATOM 855 O SER A 55 5.780 8.608 5.100 1.00 0.01 O ATOM 856 CB SER A 55 4.818 9.070 8.236 1.00 1.90 C ATOM 857 OG SER A 55 6.205 9.371 8.304 1.00 2.33 O ATOM 0 H SER A 55 6.520 7.194 7.100 1.00 0.02 H new ATOM 0 HA SER A 55 3.553 7.689 7.157 1.00 0.02 H new ATOM 0 HB2 SER A 55 4.244 9.981 8.066 1.00 1.90 H new ATOM 0 HB3 SER A 55 4.478 8.651 9.183 1.00 1.90 H new ATOM 0 HG SER A 55 6.674 8.648 8.771 1.00 2.33 H new ATOM 863 N GLY A 56 3.812 9.567 5.335 1.00 0.02 N ATOM 864 CA GLY A 56 3.934 10.273 4.023 1.00 0.02 C ATOM 865 C GLY A 56 3.381 9.384 2.904 1.00 0.02 C ATOM 866 O GLY A 56 2.628 8.462 3.150 1.00 0.00 O ATOM 0 H GLY A 56 2.947 9.750 5.844 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.388 11.216 4.055 1.00 0.02 H new ATOM 0 HA3 GLY A 56 4.978 10.515 3.825 1.00 0.02 H new ATOM 870 N HIS A 57 3.724 9.661 1.675 1.00 0.02 N ATOM 871 CA HIS A 57 3.189 8.842 0.547 1.00 0.02 C ATOM 872 C HIS A 57 3.694 7.403 0.656 1.00 0.01 C ATOM 873 O HIS A 57 4.845 7.171 0.959 1.00 0.01 O ATOM 874 CB HIS A 57 3.646 9.448 -0.780 1.00 0.00 C ATOM 875 CG HIS A 57 3.503 10.943 -0.721 1.00 0.01 C ATOM 876 ND1 HIS A 57 4.551 11.798 -1.021 1.00 0.01 N ATOM 877 CD2 HIS A 57 2.441 11.749 -0.394 1.00 0.01 C ATOM 878 CE1 HIS A 57 4.102 13.057 -0.871 1.00 0.02 C ATOM 879 NE2 HIS A 57 2.821 13.085 -0.491 1.00 0.01 N ATOM 0 H HIS A 57 4.351 10.418 1.402 1.00 0.02 H new ATOM 0 HA HIS A 57 2.100 8.838 0.593 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.683 9.178 -0.978 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.051 9.047 -1.600 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.460 11.400 -0.106 1.00 0.01 H new ATOM 0 HE1 HIS A 57 4.704 13.938 -1.037 1.00 0.02 H new ATOM 0 HE2 HIS A 57 2.246 13.908 -0.311 1.00 0.01 H new ATOM 887 N MET A 58 2.836 6.438 0.398 1.00 0.02 N ATOM 888 CA MET A 58 3.246 4.996 0.474 1.00 0.02 C ATOM 889 C MET A 58 3.067 4.338 -0.899 1.00 0.01 C ATOM 890 O MET A 58 2.084 4.556 -1.579 1.00 0.01 O ATOM 891 CB MET A 58 2.366 4.276 1.498 1.00 2.61 C ATOM 892 CG MET A 58 0.915 4.261 1.008 1.00 3.46 C ATOM 893 SD MET A 58 -0.178 3.803 2.376 1.00 4.50 S ATOM 894 CE MET A 58 -0.080 2.010 2.151 1.00 5.01 C ATOM 0 H MET A 58 1.862 6.591 0.136 1.00 0.02 H new ATOM 0 HA MET A 58 4.292 4.930 0.774 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.721 3.256 1.645 1.00 2.61 H new ATOM 0 HB3 MET A 58 2.429 4.778 2.464 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.640 5.242 0.622 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.804 3.553 0.187 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.823 1.523 2.782 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.273 1.763 1.107 1.00 5.01 H new ATOM 0 HE3 MET A 58 0.915 1.662 2.428 1.00 5.01 H new ATOM 904 N TYR A 59 4.020 3.539 -1.310 1.00 0.02 N ATOM 905 CA TYR A 59 3.936 2.855 -2.645 1.00 0.01 C ATOM 906 C TYR A 59 4.326 1.377 -2.505 1.00 0.01 C ATOM 907 O TYR A 59 5.252 1.028 -1.800 1.00 0.02 O ATOM 908 CB TYR A 59 4.902 3.525 -3.619 1.00 0.01 C ATOM 909 CG TYR A 59 4.368 4.881 -4.009 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.488 5.000 -5.091 1.00 0.01 C ATOM 911 CD2 TYR A 59 4.755 6.020 -3.293 1.00 0.01 C ATOM 912 CE1 TYR A 59 2.996 6.257 -5.458 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.263 7.277 -3.658 1.00 0.01 C ATOM 914 CZ TYR A 59 3.383 7.397 -4.742 1.00 0.01 C ATOM 915 OH TYR A 59 2.898 8.637 -5.104 1.00 0.01 O ATOM 0 H TYR A 59 4.862 3.327 -0.775 1.00 0.02 H new ATOM 0 HA TYR A 59 2.914 2.930 -3.016 1.00 0.01 H new ATOM 0 HB2 TYR A 59 5.885 3.629 -3.159 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.029 2.904 -4.506 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.189 4.121 -5.643 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.434 5.928 -2.458 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.318 6.349 -6.293 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.561 8.155 -3.105 1.00 0.01 H new ATOM 0 HH TYR A 59 3.264 9.320 -4.504 1.00 0.01 H new ATOM 925 N ILE A 60 3.620 0.510 -3.194 1.00 0.02 N ATOM 926 CA ILE A 60 3.922 -0.954 -3.147 1.00 0.01 C ATOM 927 C ILE A 60 4.829 -1.313 -4.332 1.00 0.01 C ATOM 928 O ILE A 60 4.549 -0.944 -5.456 1.00 0.01 O ATOM 929 CB ILE A 60 2.615 -1.747 -3.268 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.558 -1.182 -2.304 1.00 1.35 C ATOM 931 CG2 ILE A 60 2.877 -3.222 -2.952 1.00 1.21 C ATOM 932 CD1 ILE A 60 2.062 -1.226 -0.854 1.00 1.72 C ATOM 0 H ILE A 60 2.836 0.761 -3.796 1.00 0.02 H new ATOM 0 HA ILE A 60 4.416 -1.197 -2.206 1.00 0.01 H new ATOM 0 HB ILE A 60 2.239 -1.659 -4.287 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.320 -0.155 -2.580 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.636 -1.757 -2.391 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.947 -3.783 -3.039 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.608 -3.620 -3.655 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.263 -3.314 -1.937 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.298 -0.821 -0.191 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.276 -2.258 -0.574 1.00 1.72 H new ATOM 0 HD13 ILE A 60 2.971 -0.630 -0.766 1.00 1.72 H new ATOM 944 N LEU A 61 5.916 -2.013 -4.093 1.00 0.01 N ATOM 945 CA LEU A 61 6.850 -2.380 -5.217 1.00 0.01 C ATOM 946 C LEU A 61 7.027 -3.919 -5.301 1.00 0.01 C ATOM 947 O LEU A 61 7.650 -4.503 -4.434 1.00 0.00 O ATOM 948 CB LEU A 61 8.230 -1.740 -4.948 1.00 0.01 C ATOM 949 CG LEU A 61 8.302 -0.313 -5.527 1.00 0.02 C ATOM 950 CD1 LEU A 61 9.639 0.317 -5.121 1.00 0.01 C ATOM 951 CD2 LEU A 61 8.198 -0.343 -7.072 1.00 0.01 C ATOM 0 H LEU A 61 6.199 -2.347 -3.171 1.00 0.01 H new ATOM 0 HA LEU A 61 6.430 -2.018 -6.155 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.418 -1.710 -3.875 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.013 -2.356 -5.391 1.00 0.01 H new ATOM 0 HG LEU A 61 7.470 0.273 -5.135 1.00 0.02 H new ATOM 0 HD11 LEU A 61 9.703 1.327 -5.525 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.708 0.356 -4.034 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.459 -0.283 -5.515 1.00 0.01 H new ATOM 0 HD21 LEU A 61 8.251 0.674 -7.460 1.00 0.01 H new ATOM 0 HD22 LEU A 61 9.020 -0.931 -7.481 1.00 0.01 H new ATOM 0 HD23 LEU A 61 7.250 -0.794 -7.364 1.00 0.01 H new ATOM 963 N PRO A 62 6.535 -4.586 -6.340 1.00 0.02 N ATOM 964 CA PRO A 62 6.748 -6.054 -6.462 1.00 0.01 C ATOM 965 C PRO A 62 8.181 -6.343 -6.939 1.00 0.00 C ATOM 966 O PRO A 62 8.905 -5.443 -7.315 1.00 0.02 O ATOM 967 CB PRO A 62 5.705 -6.454 -7.518 1.00 1.47 C ATOM 968 CG PRO A 62 5.278 -5.178 -8.265 1.00 1.29 C ATOM 969 CD PRO A 62 5.738 -3.959 -7.440 1.00 0.82 C ATOM 0 HA PRO A 62 6.635 -6.604 -5.527 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.125 -7.181 -8.213 1.00 1.47 H new ATOM 0 HB3 PRO A 62 4.844 -6.926 -7.045 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.723 -5.153 -9.260 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.196 -5.160 -8.399 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.340 -3.272 -8.035 1.00 0.82 H new ATOM 0 HD3 PRO A 62 4.893 -3.390 -7.053 1.00 0.82 H new ATOM 977 N GLN A 63 8.599 -7.578 -6.923 1.00 0.02 N ATOM 978 CA GLN A 63 9.986 -7.899 -7.372 1.00 0.00 C ATOM 979 C GLN A 63 10.243 -7.298 -8.759 1.00 0.00 C ATOM 980 O GLN A 63 9.382 -7.316 -9.616 1.00 0.02 O ATOM 981 CB GLN A 63 10.154 -9.418 -7.442 1.00 1.27 C ATOM 982 CG GLN A 63 11.604 -9.756 -7.795 1.00 1.67 C ATOM 983 CD GLN A 63 11.836 -11.258 -7.611 1.00 2.43 C ATOM 984 OE1 GLN A 63 10.986 -11.956 -7.096 1.00 4.25 O ATOM 985 NE2 GLN A 63 12.959 -11.786 -8.013 1.00 3.04 N ATOM 0 H GLN A 63 8.043 -8.378 -6.620 1.00 0.02 H new ATOM 0 HA GLN A 63 10.698 -7.477 -6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.887 -9.868 -6.486 1.00 1.27 H new ATOM 0 HB3 GLN A 63 9.480 -9.835 -8.190 1.00 1.27 H new ATOM 0 HG2 GLN A 63 11.816 -9.468 -8.825 1.00 1.67 H new ATOM 0 HG3 GLN A 63 12.286 -9.191 -7.159 1.00 1.67 H new ATOM 0 HE21 GLN A 63 13.672 -11.199 -8.445 1.00 3.04 H new ATOM 0 HE22 GLN A 63 13.124 -12.786 -7.895 1.00 3.04 H new ATOM 994 N GLY A 64 11.419 -6.768 -8.997 1.00 0.02 N ATOM 995 CA GLY A 64 11.699 -6.178 -10.343 1.00 0.01 C ATOM 996 C GLY A 64 12.807 -5.123 -10.256 1.00 0.02 C ATOM 997 O GLY A 64 13.376 -4.881 -9.210 1.00 0.02 O ATOM 0 H GLY A 64 12.187 -6.719 -8.327 1.00 0.02 H new ATOM 0 HA2 GLY A 64 11.995 -6.966 -11.036 1.00 0.01 H new ATOM 0 HA3 GLY A 64 10.791 -5.726 -10.743 1.00 0.01 H new ATOM 1001 N GLU A 65 13.117 -4.495 -11.365 1.00 0.02 N ATOM 1002 CA GLU A 65 14.192 -3.450 -11.391 1.00 0.02 C ATOM 1003 C GLU A 65 13.612 -2.111 -11.862 1.00 0.02 C ATOM 1004 O GLU A 65 12.933 -2.032 -12.867 1.00 0.02 O ATOM 1005 CB GLU A 65 15.284 -3.894 -12.366 1.00 0.77 C ATOM 1006 CG GLU A 65 16.518 -3.007 -12.191 1.00 0.49 C ATOM 1007 CD GLU A 65 17.460 -3.199 -13.381 1.00 0.67 C ATOM 1008 OE1 GLU A 65 17.103 -2.777 -14.469 1.00 0.71 O ATOM 1009 OE2 GLU A 65 18.523 -3.764 -13.184 1.00 0.96 O ATOM 0 H GLU A 65 12.666 -4.663 -12.264 1.00 0.02 H new ATOM 0 HA GLU A 65 14.604 -3.327 -10.389 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.545 -4.937 -12.186 1.00 0.77 H new ATOM 0 HB3 GLU A 65 14.919 -3.829 -13.391 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.219 -1.961 -12.116 1.00 0.49 H new ATOM 0 HG3 GLU A 65 17.031 -3.260 -11.263 1.00 0.49 H new ATOM 1016 N TYR A 66 13.905 -1.054 -11.140 1.00 0.02 N ATOM 1017 CA TYR A 66 13.416 0.307 -11.517 1.00 0.02 C ATOM 1018 C TYR A 66 14.646 1.221 -11.690 1.00 0.02 C ATOM 1019 O TYR A 66 15.155 1.743 -10.714 1.00 0.02 O ATOM 1020 CB TYR A 66 12.546 0.839 -10.376 1.00 0.01 C ATOM 1021 CG TYR A 66 11.340 -0.053 -10.221 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.401 -1.178 -9.389 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.161 0.240 -10.917 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.282 -2.008 -9.254 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.043 -0.592 -10.782 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.103 -1.716 -9.951 1.00 0.02 C ATOM 1027 OH TYR A 66 8.001 -2.535 -9.819 1.00 0.01 O ATOM 0 H TYR A 66 14.472 -1.080 -10.292 1.00 0.02 H new ATOM 0 HA TYR A 66 12.837 0.276 -12.440 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.117 0.865 -9.448 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.233 1.862 -10.586 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.310 -1.405 -8.852 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.114 1.108 -11.558 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.328 -2.875 -8.611 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.134 -0.366 -11.320 1.00 0.02 H new ATOM 0 HH TYR A 66 7.268 -2.188 -10.369 1.00 0.01 H new ATOM 1037 N PRO A 67 15.146 1.405 -12.902 1.00 0.01 N ATOM 1038 CA PRO A 67 16.353 2.257 -13.113 1.00 0.02 C ATOM 1039 C PRO A 67 16.123 3.752 -12.837 1.00 0.02 C ATOM 1040 O PRO A 67 17.048 4.536 -12.899 1.00 0.02 O ATOM 1041 CB PRO A 67 16.699 2.005 -14.598 1.00 0.02 C ATOM 1042 CG PRO A 67 15.616 1.091 -15.208 1.00 0.02 C ATOM 1043 CD PRO A 67 14.567 0.777 -14.126 1.00 0.01 C ATOM 0 HA PRO A 67 17.151 1.998 -12.417 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.747 2.949 -15.141 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.680 1.538 -14.684 1.00 0.02 H new ATOM 0 HG2 PRO A 67 15.145 1.581 -16.060 1.00 0.02 H new ATOM 0 HG3 PRO A 67 16.064 0.169 -15.578 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.593 1.199 -14.374 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.426 -0.297 -14.000 1.00 0.01 H new ATOM 1051 N GLU A 68 14.926 4.162 -12.515 1.00 0.01 N ATOM 1052 CA GLU A 68 14.700 5.609 -12.224 1.00 0.01 C ATOM 1053 C GLU A 68 13.445 5.735 -11.364 1.00 0.03 C ATOM 1054 O GLU A 68 12.588 4.876 -11.351 1.00 0.02 O ATOM 1055 CB GLU A 68 14.494 6.387 -13.529 1.00 0.69 C ATOM 1056 CG GLU A 68 15.807 6.461 -14.313 1.00 1.09 C ATOM 1057 CD GLU A 68 15.688 7.527 -15.403 1.00 1.35 C ATOM 1058 OE1 GLU A 68 14.574 7.788 -15.829 1.00 2.02 O ATOM 1059 OE2 GLU A 68 16.710 8.064 -15.794 1.00 1.55 O ATOM 0 H GLU A 68 14.102 3.566 -12.441 1.00 0.01 H new ATOM 0 HA GLU A 68 15.567 6.017 -11.704 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.728 5.901 -14.133 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.136 7.393 -13.309 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.631 6.702 -13.642 1.00 1.09 H new ATOM 0 HG3 GLU A 68 16.032 5.492 -14.759 1.00 1.09 H new ATOM 1066 N TYR A 69 13.360 6.792 -10.609 1.00 0.02 N ATOM 1067 CA TYR A 69 12.201 6.963 -9.696 1.00 0.02 C ATOM 1068 C TYR A 69 10.876 6.996 -10.462 1.00 0.01 C ATOM 1069 O TYR A 69 9.886 6.445 -10.025 1.00 0.01 O ATOM 1070 CB TYR A 69 12.386 8.234 -8.862 1.00 0.02 C ATOM 1071 CG TYR A 69 12.275 9.454 -9.748 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.355 9.834 -10.554 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.096 10.209 -9.756 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.254 10.968 -11.369 1.00 0.02 C ATOM 1075 CE2 TYR A 69 10.997 11.344 -10.569 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.076 11.724 -11.376 1.00 0.02 C ATOM 1077 OH TYR A 69 11.977 12.842 -12.177 1.00 0.01 O ATOM 0 H TYR A 69 14.046 7.547 -10.585 1.00 0.02 H new ATOM 0 HA TYR A 69 12.159 6.102 -9.029 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.633 8.276 -8.075 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.359 8.218 -8.371 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.265 9.253 -10.547 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.263 9.916 -9.135 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.086 11.260 -11.993 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.088 11.927 -10.574 1.00 0.02 H new ATOM 0 HH TYR A 69 11.093 13.249 -12.062 1.00 0.01 H new ATOM 1087 N GLN A 70 10.845 7.631 -11.601 1.00 0.01 N ATOM 1088 CA GLN A 70 9.582 7.690 -12.393 1.00 0.02 C ATOM 1089 C GLN A 70 9.116 6.274 -12.753 1.00 0.01 C ATOM 1090 O GLN A 70 7.950 6.031 -12.994 1.00 0.02 O ATOM 1091 CB GLN A 70 9.832 8.476 -13.682 1.00 0.01 C ATOM 1092 CG GLN A 70 10.430 9.841 -13.342 1.00 0.01 C ATOM 1093 CD GLN A 70 10.577 10.668 -14.620 1.00 0.02 C ATOM 1094 OE1 GLN A 70 9.602 10.970 -15.277 1.00 0.01 O ATOM 1095 NE2 GLN A 70 11.765 11.049 -15.004 1.00 0.02 N ATOM 0 H GLN A 70 11.641 8.113 -12.019 1.00 0.01 H new ATOM 0 HA GLN A 70 8.812 8.180 -11.797 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.510 7.922 -14.332 1.00 0.01 H new ATOM 0 HB3 GLN A 70 8.898 8.603 -14.229 1.00 0.01 H new ATOM 0 HG2 GLN A 70 9.790 10.363 -12.630 1.00 0.01 H new ATOM 0 HG3 GLN A 70 11.402 9.715 -12.864 1.00 0.01 H new ATOM 0 HE21 GLN A 70 12.585 10.796 -14.453 1.00 0.02 H new ATOM 0 HE22 GLN A 70 11.873 11.600 -15.855 1.00 0.02 H new ATOM 1104 N ARG A 71 10.030 5.336 -12.786 1.00 0.01 N ATOM 1105 CA ARG A 71 9.653 3.935 -13.122 1.00 0.02 C ATOM 1106 C ARG A 71 8.850 3.347 -11.963 1.00 0.01 C ATOM 1107 O ARG A 71 8.143 2.368 -12.102 1.00 0.02 O ATOM 1108 CB ARG A 71 10.917 3.100 -13.356 1.00 0.34 C ATOM 1109 CG ARG A 71 11.751 3.716 -14.494 1.00 0.72 C ATOM 1110 CD ARG A 71 11.220 3.246 -15.855 1.00 1.04 C ATOM 1111 NE ARG A 71 12.110 3.753 -16.938 1.00 1.67 N ATOM 1112 CZ ARG A 71 12.034 3.244 -18.137 1.00 2.47 C ATOM 1113 NH1 ARG A 71 11.180 2.289 -18.389 1.00 2.54 N ATOM 1114 NH2 ARG A 71 12.813 3.689 -19.086 1.00 3.42 N ATOM 0 H ARG A 71 11.021 5.484 -12.594 1.00 0.01 H new ATOM 0 HA ARG A 71 9.050 3.923 -14.030 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.509 3.057 -12.442 1.00 0.34 H new ATOM 0 HB3 ARG A 71 10.644 2.075 -13.607 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.711 4.804 -14.436 1.00 0.72 H new ATOM 0 HG3 ARG A 71 12.797 3.429 -14.385 1.00 0.72 H new ATOM 0 HD2 ARG A 71 11.178 2.157 -15.884 1.00 1.04 H new ATOM 0 HD3 ARG A 71 10.203 3.609 -16.006 1.00 1.04 H new ATOM 0 HE ARG A 71 12.779 4.498 -16.742 1.00 1.67 H new ATOM 0 HH11 ARG A 71 10.572 1.940 -17.648 1.00 2.54 H new ATOM 0 HH12 ARG A 71 11.121 1.892 -19.327 1.00 2.54 H new ATOM 0 HH21 ARG A 71 13.481 4.435 -18.890 1.00 3.42 H new ATOM 0 HH22 ARG A 71 12.754 3.291 -20.023 1.00 3.42 H new ATOM 1128 N TRP A 72 8.967 3.957 -10.813 1.00 0.02 N ATOM 1129 CA TRP A 72 8.237 3.487 -9.599 1.00 0.01 C ATOM 1130 C TRP A 72 7.120 4.501 -9.309 1.00 0.01 C ATOM 1131 O TRP A 72 6.470 4.469 -8.284 1.00 0.02 O ATOM 1132 CB TRP A 72 9.271 3.402 -8.450 1.00 0.02 C ATOM 1133 CG TRP A 72 8.665 3.706 -7.114 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.686 2.991 -6.519 1.00 0.01 C ATOM 1135 CD2 TRP A 72 9.002 4.785 -6.197 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.393 3.569 -5.297 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.178 4.677 -5.055 1.00 0.02 C ATOM 1138 CE3 TRP A 72 9.931 5.840 -6.247 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.271 5.583 -3.997 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 10.029 6.753 -5.184 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.200 6.624 -4.062 1.00 0.02 C ATOM 0 H TRP A 72 9.551 4.779 -10.661 1.00 0.02 H new ATOM 0 HA TRP A 72 7.779 2.506 -9.724 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.707 2.403 -8.430 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.085 4.101 -8.644 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.210 2.113 -6.930 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.683 3.219 -4.654 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.573 5.949 -7.108 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.629 5.480 -3.134 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 10.747 7.558 -5.232 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.279 7.329 -3.248 1.00 0.02 H new ATOM 1152 N MET A 73 6.901 5.401 -10.230 1.00 0.02 N ATOM 1153 CA MET A 73 5.837 6.434 -10.056 1.00 0.02 C ATOM 1154 C MET A 73 6.123 7.301 -8.822 1.00 0.01 C ATOM 1155 O MET A 73 5.238 7.911 -8.256 1.00 0.02 O ATOM 1156 CB MET A 73 4.472 5.755 -9.900 1.00 0.02 C ATOM 1157 CG MET A 73 4.330 4.636 -10.936 1.00 0.01 C ATOM 1158 SD MET A 73 4.668 5.289 -12.589 1.00 0.01 S ATOM 1159 CE MET A 73 4.338 3.765 -13.506 1.00 0.01 C ATOM 0 H MET A 73 7.420 5.466 -11.106 1.00 0.02 H new ATOM 0 HA MET A 73 5.828 7.072 -10.940 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.371 5.347 -8.894 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.674 6.487 -10.029 1.00 0.02 H new ATOM 0 HG2 MET A 73 5.021 3.825 -10.707 1.00 0.01 H new ATOM 0 HG3 MET A 73 3.324 4.218 -10.898 1.00 0.01 H new ATOM 0 HE1 MET A 73 4.489 3.941 -14.571 1.00 0.01 H new ATOM 0 HE2 MET A 73 5.017 2.983 -13.168 1.00 0.01 H new ATOM 0 HE3 MET A 73 3.309 3.451 -13.332 1.00 0.01 H new ATOM 1169 N GLY A 74 7.362 7.355 -8.407 1.00 0.02 N ATOM 1170 CA GLY A 74 7.720 8.175 -7.216 1.00 0.02 C ATOM 1171 C GLY A 74 7.362 9.637 -7.477 1.00 0.01 C ATOM 1172 O GLY A 74 7.498 10.132 -8.578 1.00 0.01 O ATOM 0 H GLY A 74 8.142 6.864 -8.844 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.188 7.811 -6.337 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.785 8.083 -7.005 1.00 0.02 H new ATOM 1176 N LEU A 75 6.944 10.347 -6.464 1.00 0.02 N ATOM 1177 CA LEU A 75 6.626 11.791 -6.655 1.00 0.02 C ATOM 1178 C LEU A 75 7.957 12.567 -6.641 1.00 0.01 C ATOM 1179 O LEU A 75 8.119 13.566 -7.313 1.00 0.02 O ATOM 1180 CB LEU A 75 5.695 12.265 -5.522 1.00 0.55 C ATOM 1181 CG LEU A 75 4.774 13.391 -6.015 1.00 0.58 C ATOM 1182 CD1 LEU A 75 3.959 13.929 -4.836 1.00 0.98 C ATOM 1183 CD2 LEU A 75 5.614 14.526 -6.620 1.00 0.42 C ATOM 0 H LEU A 75 6.810 9.992 -5.517 1.00 0.02 H new ATOM 0 HA LEU A 75 6.113 11.962 -7.601 1.00 0.02 H new ATOM 0 HB2 LEU A 75 5.096 11.429 -5.163 1.00 0.55 H new ATOM 0 HB3 LEU A 75 6.289 12.617 -4.679 1.00 0.55 H new ATOM 0 HG LEU A 75 4.102 13.000 -6.779 1.00 0.58 H new ATOM 0 HD11 LEU A 75 3.304 14.729 -5.181 1.00 0.98 H new ATOM 0 HD12 LEU A 75 3.358 13.125 -4.412 1.00 0.98 H new ATOM 0 HD13 LEU A 75 4.635 14.317 -4.074 1.00 0.98 H new ATOM 0 HD21 LEU A 75 4.955 15.321 -6.968 1.00 0.42 H new ATOM 0 HD22 LEU A 75 6.291 14.921 -5.863 1.00 0.42 H new ATOM 0 HD23 LEU A 75 6.193 14.142 -7.460 1.00 0.42 H new ATOM 1195 N ASN A 76 8.921 12.081 -5.898 1.00 0.01 N ATOM 1196 CA ASN A 76 10.262 12.722 -5.831 1.00 0.02 C ATOM 1197 C ASN A 76 11.241 11.633 -5.389 1.00 0.02 C ATOM 1198 O ASN A 76 10.884 10.472 -5.334 1.00 0.02 O ATOM 1199 CB ASN A 76 10.246 13.868 -4.817 1.00 0.02 C ATOM 1200 CG ASN A 76 9.442 15.040 -5.385 1.00 0.02 C ATOM 1201 OD1 ASN A 76 9.663 15.457 -6.504 1.00 0.01 O ATOM 1202 ND2 ASN A 76 8.511 15.591 -4.655 1.00 0.02 N ATOM 0 H ASN A 76 8.827 11.245 -5.322 1.00 0.01 H new ATOM 0 HA ASN A 76 10.551 13.141 -6.795 1.00 0.02 H new ATOM 0 HB2 ASN A 76 9.805 13.531 -3.879 1.00 0.02 H new ATOM 0 HB3 ASN A 76 11.265 14.186 -4.595 1.00 0.02 H new ATOM 0 HD21 ASN A 76 7.969 16.372 -5.024 1.00 0.02 H new ATOM 0 HD22 ASN A 76 8.326 15.241 -3.715 1.00 0.02 H new ATOM 1209 N ASP A 77 12.469 11.968 -5.086 1.00 0.01 N ATOM 1210 CA ASP A 77 13.448 10.912 -4.668 1.00 0.01 C ATOM 1211 C ASP A 77 13.558 10.851 -3.143 1.00 0.01 C ATOM 1212 O ASP A 77 14.590 10.490 -2.613 1.00 0.01 O ATOM 1213 CB ASP A 77 14.825 11.243 -5.248 1.00 0.01 C ATOM 1214 CG ASP A 77 15.215 12.669 -4.857 1.00 0.01 C ATOM 1215 OD1 ASP A 77 14.348 13.527 -4.880 1.00 0.01 O ATOM 1216 OD2 ASP A 77 16.374 12.879 -4.543 1.00 0.02 O ATOM 0 H ASP A 77 12.837 12.919 -5.109 1.00 0.01 H new ATOM 0 HA ASP A 77 13.099 9.948 -5.039 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.567 10.537 -4.876 1.00 0.01 H new ATOM 0 HB3 ASP A 77 14.807 11.144 -6.333 1.00 0.01 H new ATOM 1221 N ARG A 78 12.518 11.210 -2.425 1.00 0.01 N ATOM 1222 CA ARG A 78 12.596 11.179 -0.928 1.00 0.01 C ATOM 1223 C ARG A 78 12.005 9.873 -0.385 1.00 0.02 C ATOM 1224 O ARG A 78 10.852 9.557 -0.608 1.00 0.02 O ATOM 1225 CB ARG A 78 11.836 12.377 -0.353 1.00 0.43 C ATOM 1226 CG ARG A 78 12.266 13.656 -1.086 1.00 0.80 C ATOM 1227 CD ARG A 78 11.758 14.909 -0.333 1.00 1.00 C ATOM 1228 NE ARG A 78 11.159 15.883 -1.302 1.00 1.30 N ATOM 1229 CZ ARG A 78 11.773 16.203 -2.411 1.00 2.30 C ATOM 1230 NH1 ARG A 78 12.975 15.759 -2.654 1.00 2.72 N ATOM 1231 NH2 ARG A 78 11.191 16.997 -3.268 1.00 3.20 N ATOM 0 H ARG A 78 11.625 11.521 -2.808 1.00 0.01 H new ATOM 0 HA ARG A 78 13.642 11.234 -0.627 1.00 0.01 H new ATOM 0 HB2 ARG A 78 10.762 12.226 -0.462 1.00 0.43 H new ATOM 0 HB3 ARG A 78 12.038 12.471 0.714 1.00 0.43 H new ATOM 0 HG2 ARG A 78 13.353 13.688 -1.166 1.00 0.80 H new ATOM 0 HG3 ARG A 78 11.871 13.650 -2.102 1.00 0.80 H new ATOM 0 HD2 ARG A 78 11.015 14.620 0.411 1.00 1.00 H new ATOM 0 HD3 ARG A 78 12.582 15.379 0.205 1.00 1.00 H new ATOM 0 HE ARG A 78 10.254 16.305 -1.092 1.00 1.30 H new ATOM 0 HH11 ARG A 78 13.443 15.157 -1.976 1.00 2.72 H new ATOM 0 HH12 ARG A 78 13.447 16.013 -3.522 1.00 2.72 H new ATOM 0 HH21 ARG A 78 10.260 17.366 -3.071 1.00 3.20 H new ATOM 0 HH22 ARG A 78 11.667 17.249 -4.134 1.00 3.20 H new ATOM 1245 N LEU A 79 12.787 9.123 0.345 1.00 0.01 N ATOM 1246 CA LEU A 79 12.299 7.839 0.939 1.00 0.01 C ATOM 1247 C LEU A 79 12.974 7.674 2.309 1.00 0.01 C ATOM 1248 O LEU A 79 14.184 7.693 2.407 1.00 0.02 O ATOM 1249 CB LEU A 79 12.682 6.676 0.015 1.00 1.04 C ATOM 1250 CG LEU A 79 11.668 6.558 -1.136 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.172 5.508 -2.135 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.276 6.147 -0.598 1.00 2.61 C ATOM 0 H LEU A 79 13.759 9.347 0.559 1.00 0.01 H new ATOM 0 HA LEU A 79 11.215 7.847 1.054 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.683 6.835 -0.387 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.710 5.745 0.582 1.00 1.04 H new ATOM 0 HG LEU A 79 11.570 7.525 -1.629 1.00 1.85 H new ATOM 0 HD11 LEU A 79 11.461 5.416 -2.956 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.141 5.815 -2.528 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.272 4.546 -1.632 1.00 2.40 H new ATOM 0 HD21 LEU A 79 9.574 6.069 -1.428 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.351 5.183 -0.094 1.00 2.61 H new ATOM 0 HD23 LEU A 79 9.922 6.899 0.107 1.00 2.61 H new ATOM 1264 N GLY A 80 12.205 7.567 3.372 1.00 0.02 N ATOM 1265 CA GLY A 80 12.814 7.467 4.748 1.00 0.02 C ATOM 1266 C GLY A 80 12.607 6.095 5.412 1.00 0.02 C ATOM 1267 O GLY A 80 13.293 5.767 6.367 1.00 0.01 O ATOM 0 H GLY A 80 11.186 7.544 3.349 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.883 7.671 4.680 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.382 8.239 5.385 1.00 0.02 H new ATOM 1271 N SER A 81 11.701 5.278 4.940 1.00 0.01 N ATOM 1272 CA SER A 81 11.503 3.948 5.599 1.00 0.01 C ATOM 1273 C SER A 81 10.901 2.946 4.620 1.00 0.02 C ATOM 1274 O SER A 81 10.266 3.306 3.647 1.00 0.01 O ATOM 1275 CB SER A 81 10.561 4.108 6.790 1.00 0.01 C ATOM 1276 OG SER A 81 9.274 4.495 6.324 1.00 0.01 O ATOM 0 H SER A 81 11.097 5.467 4.140 1.00 0.01 H new ATOM 0 HA SER A 81 12.473 3.578 5.932 1.00 0.01 H new ATOM 0 HB2 SER A 81 10.493 3.171 7.343 1.00 0.01 H new ATOM 0 HB3 SER A 81 10.951 4.857 7.479 1.00 0.01 H new ATOM 0 HG SER A 81 9.161 5.462 6.440 1.00 0.01 H new ATOM 1282 N CYS A 82 11.100 1.679 4.881 1.00 0.02 N ATOM 1283 CA CYS A 82 10.544 0.625 3.978 1.00 0.01 C ATOM 1284 C CYS A 82 10.137 -0.604 4.799 1.00 0.01 C ATOM 1285 O CYS A 82 10.738 -0.918 5.806 1.00 0.01 O ATOM 1286 CB CYS A 82 11.600 0.230 2.940 1.00 0.01 C ATOM 1287 SG CYS A 82 12.860 -0.821 3.709 1.00 0.02 S ATOM 0 H CYS A 82 11.625 1.328 5.682 1.00 0.02 H new ATOM 0 HA CYS A 82 9.665 1.017 3.467 1.00 0.01 H new ATOM 0 HB2 CYS A 82 11.128 -0.300 2.112 1.00 0.01 H new ATOM 0 HB3 CYS A 82 12.065 1.124 2.523 1.00 0.01 H new ATOM 0 HG CYS A 82 13.855 -0.085 4.107 1.00 0.02 H new ATOM 1293 N ARG A 83 9.122 -1.306 4.365 1.00 0.01 N ATOM 1294 CA ARG A 83 8.665 -2.525 5.105 1.00 0.01 C ATOM 1295 C ARG A 83 8.358 -3.634 4.103 1.00 0.01 C ATOM 1296 O ARG A 83 7.833 -3.398 3.033 1.00 0.01 O ATOM 1297 CB ARG A 83 7.378 -2.212 5.871 1.00 0.01 C ATOM 1298 CG ARG A 83 7.674 -1.189 6.968 1.00 0.01 C ATOM 1299 CD ARG A 83 6.366 -0.753 7.628 1.00 0.01 C ATOM 1300 NE ARG A 83 5.581 -1.956 8.026 1.00 0.01 N ATOM 1301 CZ ARG A 83 4.592 -1.840 8.868 1.00 0.01 C ATOM 1302 NH1 ARG A 83 4.286 -0.671 9.359 1.00 0.01 N ATOM 1303 NH2 ARG A 83 3.909 -2.896 9.219 1.00 0.01 N ATOM 0 H ARG A 83 8.586 -1.087 3.525 1.00 0.01 H new ATOM 0 HA ARG A 83 9.449 -2.835 5.796 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.622 -1.822 5.189 1.00 0.01 H new ATOM 0 HB3 ARG A 83 6.972 -3.124 6.309 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.342 -1.622 7.712 1.00 0.01 H new ATOM 0 HG3 ARG A 83 8.186 -0.325 6.545 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.576 -0.138 8.503 1.00 0.01 H new ATOM 0 HD3 ARG A 83 5.786 -0.140 6.939 1.00 0.01 H new ATOM 0 HE ARG A 83 5.817 -2.870 7.640 1.00 0.01 H new ATOM 0 HH11 ARG A 83 4.820 0.153 9.084 1.00 0.01 H new ATOM 0 HH12 ARG A 83 3.512 -0.581 10.018 1.00 0.01 H new ATOM 0 HH21 ARG A 83 4.149 -3.810 8.835 1.00 0.01 H new ATOM 0 HH22 ARG A 83 3.135 -2.807 9.877 1.00 0.01 H new ATOM 1317 N ALA A 84 8.688 -4.852 4.440 1.00 0.01 N ATOM 1318 CA ALA A 84 8.421 -5.979 3.510 1.00 0.01 C ATOM 1319 C ALA A 84 6.945 -6.374 3.599 1.00 0.01 C ATOM 1320 O ALA A 84 6.397 -6.564 4.666 1.00 0.00 O ATOM 1321 CB ALA A 84 9.285 -7.179 3.900 1.00 0.43 C ATOM 0 H ALA A 84 9.131 -5.112 5.321 1.00 0.01 H new ATOM 0 HA ALA A 84 8.659 -5.671 2.492 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.089 -8.006 3.217 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.338 -6.903 3.843 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.045 -7.485 4.918 1.00 0.43 H new ATOM 1327 N VAL A 85 6.314 -6.518 2.468 1.00 0.01 N ATOM 1328 CA VAL A 85 4.883 -6.925 2.442 1.00 0.01 C ATOM 1329 C VAL A 85 4.819 -8.450 2.388 1.00 0.01 C ATOM 1330 O VAL A 85 5.377 -9.066 1.504 1.00 0.01 O ATOM 1331 CB VAL A 85 4.202 -6.335 1.203 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.698 -6.596 1.271 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.446 -4.826 1.156 1.00 1.12 C ATOM 0 H VAL A 85 6.734 -6.369 1.550 1.00 0.01 H new ATOM 0 HA VAL A 85 4.371 -6.559 3.332 1.00 0.01 H new ATOM 0 HB VAL A 85 4.615 -6.803 0.309 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.215 -6.175 0.389 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.516 -7.670 1.307 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.288 -6.129 2.166 1.00 1.25 H new ATOM 0 HG21 VAL A 85 3.961 -4.406 0.274 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.033 -4.363 2.052 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.518 -4.632 1.108 1.00 1.12 H new ATOM 1343 N HIS A 86 4.141 -9.074 3.313 1.00 0.01 N ATOM 1344 CA HIS A 86 4.051 -10.561 3.287 1.00 0.01 C ATOM 1345 C HIS A 86 2.797 -10.954 2.514 1.00 0.01 C ATOM 1346 O HIS A 86 1.723 -10.433 2.742 1.00 0.00 O ATOM 1347 CB HIS A 86 3.946 -11.092 4.718 1.00 0.21 C ATOM 1348 CG HIS A 86 5.221 -10.798 5.459 1.00 0.71 C ATOM 1349 ND1 HIS A 86 5.572 -9.514 5.843 1.00 1.26 N ATOM 1350 CD2 HIS A 86 6.239 -11.610 5.894 1.00 1.20 C ATOM 1351 CE1 HIS A 86 6.755 -9.588 6.479 1.00 1.77 C ATOM 1352 NE2 HIS A 86 7.206 -10.844 6.539 1.00 1.71 N ATOM 0 H HIS A 86 3.648 -8.620 4.082 1.00 0.01 H new ATOM 0 HA HIS A 86 4.937 -10.981 2.811 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.102 -10.628 5.228 1.00 0.21 H new ATOM 0 HB3 HIS A 86 3.760 -12.166 4.706 1.00 0.21 H new ATOM 0 HD2 HIS A 86 6.283 -12.680 5.757 1.00 1.20 H new ATOM 0 HE1 HIS A 86 7.276 -8.736 6.891 1.00 1.77 H new ATOM 0 HE2 HIS A 86 8.073 -11.171 6.966 1.00 1.71 H new ATOM 1360 N LEU A 87 2.924 -11.873 1.595 1.00 0.01 N ATOM 1361 CA LEU A 87 1.744 -12.310 0.797 1.00 0.01 C ATOM 1362 C LEU A 87 1.176 -13.574 1.443 1.00 0.01 C ATOM 1363 O LEU A 87 1.908 -14.461 1.835 1.00 0.01 O ATOM 1364 CB LEU A 87 2.196 -12.619 -0.648 1.00 0.67 C ATOM 1365 CG LEU A 87 3.423 -11.772 -1.018 1.00 1.25 C ATOM 1366 CD1 LEU A 87 3.732 -11.971 -2.506 1.00 1.63 C ATOM 1367 CD2 LEU A 87 3.160 -10.277 -0.725 1.00 1.34 C ATOM 0 H LEU A 87 3.799 -12.342 1.362 1.00 0.01 H new ATOM 0 HA LEU A 87 0.984 -11.529 0.773 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.436 -13.678 -0.742 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.381 -12.413 -1.342 1.00 0.67 H new ATOM 0 HG LEU A 87 4.275 -12.090 -0.418 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.602 -11.374 -2.780 1.00 1.63 H new ATOM 0 HD12 LEU A 87 3.940 -13.024 -2.697 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.874 -11.657 -3.101 1.00 1.63 H new ATOM 0 HD21 LEU A 87 4.040 -9.693 -0.994 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.306 -9.936 -1.311 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.948 -10.146 0.336 1.00 1.34 H new ATOM 1379 N SER A 88 -0.125 -13.674 1.535 1.00 0.01 N ATOM 1380 CA SER A 88 -0.765 -14.885 2.127 1.00 0.01 C ATOM 1381 C SER A 88 -1.457 -15.665 1.014 1.00 0.01 C ATOM 1382 O SER A 88 -2.289 -15.118 0.317 1.00 0.01 O ATOM 1383 CB SER A 88 -1.806 -14.463 3.166 1.00 0.81 C ATOM 1384 OG SER A 88 -1.142 -13.951 4.314 1.00 1.08 O ATOM 0 H SER A 88 -0.779 -12.957 1.220 1.00 0.01 H new ATOM 0 HA SER A 88 -0.007 -15.504 2.608 1.00 0.01 H new ATOM 0 HB2 SER A 88 -2.469 -13.706 2.747 1.00 0.81 H new ATOM 0 HB3 SER A 88 -2.428 -15.315 3.441 1.00 0.81 H new ATOM 0 HG SER A 88 -1.806 -13.678 4.981 1.00 1.08 H new ATOM 1390 N SER A 89 -1.187 -16.935 0.854 1.00 0.01 N ATOM 1391 CA SER A 89 -1.908 -17.723 -0.194 1.00 0.01 C ATOM 1392 C SER A 89 -2.943 -18.561 0.546 1.00 0.01 C ATOM 1393 O SER A 89 -3.332 -18.208 1.643 1.00 0.01 O ATOM 1394 CB SER A 89 -0.923 -18.637 -0.925 1.00 0.43 C ATOM 1395 OG SER A 89 -1.618 -19.375 -1.923 1.00 1.26 O ATOM 0 H SER A 89 -0.503 -17.459 1.399 1.00 0.01 H new ATOM 0 HA SER A 89 -2.375 -17.074 -0.935 1.00 0.01 H new ATOM 0 HB2 SER A 89 -0.129 -18.045 -1.381 1.00 0.43 H new ATOM 0 HB3 SER A 89 -0.447 -19.317 -0.218 1.00 0.43 H new ATOM 0 HG SER A 89 -1.449 -20.332 -1.799 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.377 -19.674 0.013 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.362 -20.526 0.754 1.00 0.00 C ATOM 1403 C GLY A 90 -5.496 -21.003 -0.151 1.00 0.00 C ATOM 1404 O GLY A 90 -5.805 -22.177 -0.188 1.00 0.01 O ATOM 0 H GLY A 90 -3.095 -20.031 -0.900 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.849 -21.389 1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.777 -19.960 1.588 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.126 -20.125 -0.890 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.225 -20.591 -1.777 1.00 0.00 C ATOM 1410 C GLY A 91 -7.880 -19.429 -2.537 1.00 0.00 C ATOM 1411 O GLY A 91 -7.362 -18.982 -3.541 1.00 0.01 O ATOM 0 H GLY A 91 -5.929 -19.124 -0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.833 -21.316 -2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.979 -21.106 -1.181 1.00 0.00 H new ATOM 1415 N GLN A 92 -9.012 -18.946 -2.081 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.705 -17.817 -2.793 1.00 2.31 C ATOM 1417 C GLN A 92 -9.856 -16.607 -1.863 1.00 1.91 C ATOM 1418 O GLN A 92 -10.457 -16.680 -0.810 1.00 2.31 O ATOM 1419 CB GLN A 92 -11.074 -18.306 -3.272 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.809 -17.160 -3.970 1.00 2.86 C ATOM 1421 CD GLN A 92 -13.063 -17.701 -4.660 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -14.078 -17.910 -4.025 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -13.035 -17.936 -5.943 1.00 4.43 N ATOM 0 H GLN A 92 -9.489 -19.284 -1.245 1.00 1.80 H new ATOM 0 HA GLN A 92 -9.110 -17.503 -3.650 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -10.953 -19.145 -3.957 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.660 -18.666 -2.426 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -12.082 -16.394 -3.244 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -11.154 -16.687 -4.702 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -12.183 -17.760 -6.475 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -13.865 -18.295 -6.414 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.271 -15.500 -2.252 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.329 -14.273 -1.399 1.00 0.01 C ATOM 1434 C ALA A 93 -10.777 -13.762 -1.333 1.00 0.01 C ATOM 1435 O ALA A 93 -11.480 -13.766 -2.324 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.428 -13.196 -2.010 1.00 2.99 C ATOM 0 H ALA A 93 -8.755 -15.394 -3.125 1.00 0.01 H new ATOM 0 HA ALA A 93 -8.986 -14.507 -0.391 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.465 -12.298 -1.393 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.403 -13.563 -2.056 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.774 -12.960 -3.016 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.249 -13.370 -0.159 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.690 -12.911 -0.037 1.00 0.01 C ATOM 1444 C LYS A 94 -12.842 -11.611 0.778 1.00 0.01 C ATOM 1445 O LYS A 94 -12.336 -11.475 1.908 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.513 -14.014 0.638 1.00 2.49 C ATOM 1447 CG LYS A 94 -15.006 -13.773 0.387 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.834 -14.626 1.354 1.00 4.11 C ATOM 1449 CE LYS A 94 -15.447 -16.098 1.202 1.00 5.23 C ATOM 1450 NZ LYS A 94 -15.307 -16.428 -0.243 1.00 6.36 N ATOM 0 H LYS A 94 -10.711 -13.347 0.707 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.047 -12.708 -1.047 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.222 -14.989 0.247 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.312 -14.027 1.709 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.242 -12.718 0.523 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.257 -14.025 -0.643 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -15.664 -14.299 2.380 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -16.897 -14.496 1.150 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -14.510 -16.294 1.723 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -16.205 -16.734 1.659 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -15.533 -17.432 -0.393 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -15.960 -15.839 -0.798 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -14.330 -16.243 -0.548 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.574 -10.656 0.208 1.00 0.00 N ATOM 1465 CA ILE A 95 -13.825 -9.345 0.890 1.00 0.01 C ATOM 1466 C ILE A 95 -15.329 -8.998 0.842 1.00 0.01 C ATOM 1467 O ILE A 95 -15.991 -9.184 -0.163 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.013 -8.256 0.161 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.545 -6.854 0.506 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.124 -8.473 -1.348 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.545 -5.790 0.041 1.00 1.09 C ATOM 0 H ILE A 95 -14.007 -10.743 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.520 -9.407 1.935 1.00 0.01 H new ATOM 0 HB ILE A 95 -11.973 -8.325 0.480 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.510 -6.693 0.026 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -13.705 -6.770 1.581 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.552 -7.706 -1.869 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.730 -9.456 -1.604 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.170 -8.412 -1.648 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -12.927 -4.799 0.288 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.589 -5.946 0.541 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.407 -5.867 -1.037 1.00 1.09 H new ATOM 1483 N GLN A 96 -15.844 -8.427 1.914 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.284 -7.979 1.950 1.00 0.01 C ATOM 1485 C GLN A 96 -17.296 -6.492 2.329 1.00 0.01 C ATOM 1486 O GLN A 96 -16.533 -6.076 3.175 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.090 -8.812 2.956 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.234 -9.148 4.169 1.00 0.82 C ATOM 1489 CD GLN A 96 -18.122 -9.766 5.253 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -18.468 -9.047 6.286 1.00 1.75 O flip ATOM 1491 NE2 GLN A 96 -18.505 -10.916 5.158 1.00 2.05 N flip ATOM 0 H GLN A 96 -15.324 -8.250 2.773 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.751 -8.122 0.976 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -18.976 -8.259 3.269 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.438 -9.730 2.482 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.442 -9.843 3.890 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -16.749 -8.248 4.548 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -18.235 -11.478 4.351 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -19.096 -11.318 5.885 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.136 -5.678 1.724 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.154 -4.207 2.065 1.00 0.01 C ATOM 1502 C VAL A 97 -19.557 -3.758 2.501 1.00 0.01 C ATOM 1503 O VAL A 97 -20.561 -4.275 2.044 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.724 -3.411 0.830 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.367 -3.920 0.339 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -18.763 -3.590 -0.278 1.00 1.03 C ATOM 0 H VAL A 97 -18.808 -5.964 1.012 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.468 -4.028 2.893 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.644 -2.355 1.090 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.062 -3.353 -0.540 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.625 -3.795 1.127 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.446 -4.976 0.080 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.458 -3.024 -1.158 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -18.842 -4.646 -0.536 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.731 -3.228 0.069 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.622 -2.804 3.414 1.00 0.01 N ATOM 1517 CA PHE A 98 -20.939 -2.308 3.937 1.00 0.01 C ATOM 1518 C PHE A 98 -21.106 -0.802 3.678 1.00 0.01 C ATOM 1519 O PHE A 98 -20.176 -0.009 3.799 1.00 0.01 O ATOM 1520 CB PHE A 98 -21.004 -2.557 5.445 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.087 -4.042 5.718 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -19.972 -4.858 5.489 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.274 -4.604 6.206 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -20.043 -6.232 5.747 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -22.345 -5.977 6.465 1.00 0.73 C ATOM 1526 CZ PHE A 98 -21.230 -6.791 6.235 1.00 0.69 C ATOM 0 H PHE A 98 -18.806 -2.346 3.820 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.737 -2.843 3.422 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.122 -2.138 5.930 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -21.872 -2.051 5.869 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -19.056 -4.427 5.113 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -23.135 -3.977 6.382 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -19.183 -6.860 5.570 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -23.260 -6.409 6.842 1.00 0.73 H new ATOM 0 HZ PHE A 98 -21.285 -7.851 6.434 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.304 -0.419 3.315 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.593 1.014 3.013 1.00 0.01 C ATOM 1538 C GLU A 99 -22.514 1.893 4.271 1.00 0.01 C ATOM 1539 O GLU A 99 -22.156 3.051 4.184 1.00 0.01 O ATOM 1540 CB GLU A 99 -23.994 1.128 2.411 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.207 2.546 1.881 1.00 0.01 C ATOM 1542 CD GLU A 99 -25.550 2.622 1.151 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -26.462 1.921 1.555 1.00 0.01 O ATOM 1544 OE2 GLU A 99 -25.642 3.380 0.199 1.00 0.02 O ATOM 0 H GLU A 99 -23.102 -1.046 3.214 1.00 0.01 H new ATOM 0 HA GLU A 99 -21.839 1.366 2.309 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.115 0.405 1.604 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.746 0.893 3.165 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -24.188 3.260 2.704 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -23.397 2.818 1.204 1.00 0.01 H new ATOM 1551 N LYS A 100 -22.855 1.372 5.432 1.00 0.01 N ATOM 1552 CA LYS A 100 -22.806 2.208 6.684 1.00 0.01 C ATOM 1553 C LYS A 100 -21.745 1.666 7.648 1.00 0.01 C ATOM 1554 O LYS A 100 -21.252 0.564 7.501 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.170 2.193 7.373 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.239 2.691 6.399 1.00 1.63 C ATOM 1557 CD LYS A 100 -26.626 2.438 6.991 1.00 2.19 C ATOM 1558 CE LYS A 100 -27.675 3.190 6.169 1.00 2.84 C ATOM 1559 NZ LYS A 100 -27.568 4.650 6.445 1.00 3.18 N ATOM 0 H LYS A 100 -23.164 0.409 5.567 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.547 3.230 6.407 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.409 1.184 7.707 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.148 2.826 8.260 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.103 3.755 6.206 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -25.141 2.178 5.442 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -26.844 1.370 6.990 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -26.656 2.769 8.029 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -27.526 2.998 5.106 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -28.674 2.834 6.421 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -28.462 5.118 6.192 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -27.374 4.799 7.456 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -26.794 5.054 5.880 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.396 2.454 8.631 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.358 2.037 9.617 1.00 0.01 C ATOM 1575 C GLY A 101 -20.851 0.871 10.474 1.00 0.00 C ATOM 1576 O GLY A 101 -22.030 0.589 10.562 1.00 0.01 O ATOM 0 H GLY A 101 -21.792 3.380 8.794 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.448 1.747 9.091 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.101 2.880 10.258 1.00 0.01 H new ATOM 1580 N ASP A 102 -19.931 0.208 11.121 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.282 -0.937 12.007 1.00 0.00 C ATOM 1582 C ASP A 102 -21.039 -2.017 11.233 1.00 0.00 C ATOM 1583 O ASP A 102 -21.946 -2.646 11.740 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.142 -0.437 13.168 1.00 0.01 C ATOM 1585 CG ASP A 102 -20.541 0.853 13.731 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -19.721 0.757 14.629 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -20.913 1.913 13.256 1.00 0.01 O ATOM 0 H ASP A 102 -18.934 0.416 11.071 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.360 -1.374 12.390 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -22.162 -0.257 12.828 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -21.195 -1.196 13.948 1.00 0.01 H new ATOM 1592 N PHE A 103 -20.638 -2.259 10.014 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.284 -3.323 9.198 1.00 0.01 C ATOM 1594 C PHE A 103 -22.802 -3.145 9.166 1.00 0.00 C ATOM 1595 O PHE A 103 -23.545 -4.045 9.504 1.00 0.01 O ATOM 1596 CB PHE A 103 -20.947 -4.689 9.801 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.463 -4.769 10.074 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.567 -4.962 9.016 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -18.984 -4.647 11.384 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.192 -5.034 9.268 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -17.609 -4.718 11.636 1.00 0.01 C ATOM 1602 CZ PHE A 103 -16.713 -4.912 10.578 1.00 0.01 C ATOM 0 H PHE A 103 -19.883 -1.759 9.546 1.00 0.01 H new ATOM 0 HA PHE A 103 -20.909 -3.255 8.177 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.506 -4.838 10.725 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.245 -5.484 9.117 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -18.937 -5.055 8.005 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -19.676 -4.498 12.200 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.501 -5.184 8.452 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.239 -4.623 12.646 1.00 0.01 H new ATOM 0 HZ PHE A 103 -15.652 -4.968 10.772 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.272 -1.998 8.739 1.00 0.00 N ATOM 1613 CA ASN A 104 -24.750 -1.759 8.650 1.00 0.01 C ATOM 1614 C ASN A 104 -25.062 -1.242 7.246 1.00 0.01 C ATOM 1615 O ASN A 104 -24.176 -0.844 6.515 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.170 -0.713 9.690 1.00 1.68 C ATOM 1617 CG ASN A 104 -25.284 -1.373 11.065 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -25.131 -2.572 11.191 1.00 3.15 O ATOM 1619 ND2 ASN A 104 -25.547 -0.636 12.108 1.00 2.38 N ATOM 0 H ASN A 104 -22.693 -1.211 8.446 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.295 -2.683 8.844 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -24.440 0.095 9.723 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -26.125 -0.269 9.409 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -25.624 -1.066 13.030 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -25.675 0.370 12.002 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.306 -1.251 6.848 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.655 -0.763 5.480 1.00 0.01 C ATOM 1628 C GLY A 105 -26.629 -1.941 4.508 1.00 0.01 C ATOM 1629 O GLY A 105 -26.651 -3.086 4.915 1.00 0.01 O ATOM 0 H GLY A 105 -27.095 -1.574 7.409 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.643 -0.302 5.486 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -25.948 0.003 5.162 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.568 -1.686 3.231 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.523 -2.811 2.259 1.00 0.01 C ATOM 1635 C GLN A 106 -25.126 -3.430 2.284 1.00 0.01 C ATOM 1636 O GLN A 106 -24.126 -2.745 2.405 1.00 0.01 O ATOM 1637 CB GLN A 106 -26.825 -2.282 0.856 1.00 0.01 C ATOM 1638 CG GLN A 106 -27.029 -3.458 -0.100 1.00 0.01 C ATOM 1639 CD GLN A 106 -28.364 -4.141 0.205 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -29.260 -3.531 0.754 1.00 0.01 O ATOM 1641 NE2 GLN A 106 -28.536 -5.391 -0.130 1.00 0.01 N ATOM 0 H GLN A 106 -26.547 -0.752 2.821 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.264 -3.564 2.526 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.718 -1.657 0.876 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.004 -1.655 0.508 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -27.016 -3.107 -1.132 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -26.212 -4.171 0.005 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -27.784 -5.904 -0.591 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -29.422 -5.855 0.069 1.00 0.01 H new ATOM 1650 N MET A 107 -25.065 -4.735 2.172 1.00 0.01 N ATOM 1651 CA MET A 107 -23.754 -5.455 2.190 1.00 0.01 C ATOM 1652 C MET A 107 -23.531 -6.141 0.841 1.00 0.01 C ATOM 1653 O MET A 107 -24.446 -6.663 0.236 1.00 0.01 O ATOM 1654 CB MET A 107 -23.776 -6.521 3.297 1.00 0.00 C ATOM 1655 CG MET A 107 -22.548 -7.439 3.186 1.00 0.01 C ATOM 1656 SD MET A 107 -22.883 -8.767 2.001 1.00 0.01 S ATOM 1657 CE MET A 107 -23.672 -9.912 3.159 1.00 0.01 C ATOM 0 H MET A 107 -25.880 -5.339 2.067 1.00 0.01 H new ATOM 0 HA MET A 107 -22.951 -4.743 2.377 1.00 0.01 H new ATOM 0 HB2 MET A 107 -23.789 -6.038 4.274 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.688 -7.113 3.221 1.00 0.00 H new ATOM 0 HG2 MET A 107 -21.680 -6.863 2.866 1.00 0.01 H new ATOM 0 HG3 MET A 107 -22.308 -7.861 4.162 1.00 0.01 H new ATOM 0 HE1 MET A 107 -23.965 -10.819 2.631 1.00 0.01 H new ATOM 0 HE2 MET A 107 -22.971 -10.166 3.954 1.00 0.01 H new ATOM 0 HE3 MET A 107 -24.556 -9.442 3.591 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.307 -6.156 0.384 1.00 0.01 N ATOM 1668 CA TYR A 108 -21.969 -6.822 -0.913 1.00 0.00 C ATOM 1669 C TYR A 108 -20.741 -7.711 -0.689 1.00 0.01 C ATOM 1670 O TYR A 108 -19.797 -7.333 -0.023 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.652 -5.761 -1.969 1.00 0.54 C ATOM 1672 CG TYR A 108 -22.933 -5.103 -2.424 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -23.734 -5.725 -3.389 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.321 -3.873 -1.879 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -24.922 -5.114 -3.811 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.508 -3.264 -2.301 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.309 -3.884 -3.266 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.479 -3.283 -3.680 1.00 2.48 O ATOM 0 H TYR A 108 -21.513 -5.729 0.861 1.00 0.01 H new ATOM 0 HA TYR A 108 -22.810 -7.422 -1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -20.974 -5.014 -1.557 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.144 -6.218 -2.818 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.436 -6.675 -3.808 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.704 -3.394 -1.133 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.539 -5.592 -4.557 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -24.806 -2.315 -1.881 1.00 1.51 H new ATOM 0 HH TYR A 108 -26.599 -2.436 -3.202 1.00 2.48 H new ATOM 1688 N GLU A 109 -20.773 -8.909 -1.222 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.643 -9.877 -1.036 1.00 0.01 C ATOM 1690 C GLU A 109 -19.005 -10.192 -2.388 1.00 0.01 C ATOM 1691 O GLU A 109 -19.691 -10.435 -3.362 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.213 -11.157 -0.421 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.066 -12.098 -0.054 1.00 0.01 C ATOM 1694 CD GLU A 109 -19.629 -13.365 0.591 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -20.379 -14.062 -0.072 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -19.300 -13.618 1.738 1.00 0.00 O ATOM 0 H GLU A 109 -21.545 -9.263 -1.786 1.00 0.01 H new ATOM 0 HA GLU A 109 -18.881 -9.450 -0.383 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -20.800 -10.918 0.466 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -20.886 -11.644 -1.126 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.494 -12.355 -0.945 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -18.381 -11.602 0.633 1.00 0.01 H new ATOM 1703 N THR A 110 -17.694 -10.185 -2.470 1.00 0.01 N ATOM 1704 CA THR A 110 -17.041 -10.480 -3.783 1.00 0.00 C ATOM 1705 C THR A 110 -15.675 -11.147 -3.589 1.00 0.01 C ATOM 1706 O THR A 110 -14.958 -10.905 -2.625 1.00 0.01 O ATOM 1707 CB THR A 110 -16.852 -9.179 -4.566 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.302 -9.471 -5.843 1.00 1.65 O ATOM 1709 CG2 THR A 110 -15.905 -8.251 -3.802 1.00 1.69 C ATOM 0 H THR A 110 -17.058 -9.991 -1.697 1.00 0.01 H new ATOM 0 HA THR A 110 -17.687 -11.164 -4.333 1.00 0.00 H new ATOM 0 HB THR A 110 -17.817 -8.688 -4.689 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.182 -8.638 -6.346 1.00 1.65 H new ATOM 0 HG21 THR A 110 -15.772 -7.325 -4.362 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.328 -8.025 -2.823 1.00 1.69 H new ATOM 0 HG23 THR A 110 -14.939 -8.740 -3.676 1.00 1.69 H new ATOM 1717 N THR A 111 -15.328 -11.988 -4.532 1.00 0.00 N ATOM 1718 CA THR A 111 -14.024 -12.716 -4.498 1.00 0.01 C ATOM 1719 C THR A 111 -13.146 -12.258 -5.668 1.00 0.01 C ATOM 1720 O THR A 111 -12.117 -12.844 -5.943 1.00 0.01 O ATOM 1721 CB THR A 111 -14.283 -14.221 -4.618 1.00 0.01 C ATOM 1722 OG1 THR A 111 -15.191 -14.461 -5.683 1.00 0.01 O ATOM 1723 CG2 THR A 111 -14.877 -14.750 -3.312 1.00 0.01 C ATOM 0 H THR A 111 -15.909 -12.204 -5.342 1.00 0.00 H new ATOM 0 HA THR A 111 -13.514 -12.503 -3.559 1.00 0.01 H new ATOM 0 HB THR A 111 -13.342 -14.733 -4.818 1.00 0.01 H new ATOM 0 HG1 THR A 111 -15.356 -15.424 -5.762 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.059 -15.821 -3.403 1.00 0.01 H new ATOM 0 HG22 THR A 111 -14.179 -14.569 -2.495 1.00 0.01 H new ATOM 0 HG23 THR A 111 -15.817 -14.238 -3.106 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.570 -11.237 -6.384 1.00 0.01 N ATOM 1732 CA GLU A 112 -12.790 -10.754 -7.576 1.00 0.01 C ATOM 1733 C GLU A 112 -12.407 -9.279 -7.425 1.00 0.01 C ATOM 1734 O GLU A 112 -12.970 -8.557 -6.625 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.647 -10.920 -8.832 1.00 0.85 C ATOM 1736 CG GLU A 112 -14.086 -12.379 -8.964 1.00 1.61 C ATOM 1737 CD GLU A 112 -14.973 -12.535 -10.200 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -14.440 -12.499 -11.297 1.00 3.07 O ATOM 1739 OE2 GLU A 112 -16.172 -12.688 -10.030 1.00 3.21 O ATOM 0 H GLU A 112 -14.426 -10.716 -6.193 1.00 0.01 H new ATOM 0 HA GLU A 112 -11.876 -11.343 -7.653 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.521 -10.270 -8.777 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.081 -10.619 -9.713 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -13.213 -13.027 -9.046 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -14.630 -12.688 -8.072 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.462 -8.824 -8.207 1.00 0.01 N ATOM 1747 CA ASP A 113 -11.044 -7.394 -8.142 1.00 0.01 C ATOM 1748 C ASP A 113 -12.165 -6.505 -8.694 1.00 0.00 C ATOM 1749 O ASP A 113 -12.955 -6.928 -9.513 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.789 -7.203 -8.999 1.00 0.01 C ATOM 1751 CG ASP A 113 -9.949 -7.967 -10.315 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -11.081 -8.208 -10.704 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -8.938 -8.298 -10.912 1.00 0.00 O ATOM 0 H ASP A 113 -10.959 -9.387 -8.893 1.00 0.01 H new ATOM 0 HA ASP A 113 -10.838 -7.121 -7.107 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.630 -6.143 -9.198 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -8.911 -7.562 -8.462 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.212 -5.262 -8.272 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.250 -4.310 -8.787 1.00 0.01 C ATOM 1760 C CYS A 114 -12.546 -3.048 -9.334 1.00 0.01 C ATOM 1761 O CYS A 114 -11.961 -2.311 -8.558 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.164 -3.897 -7.634 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.405 -2.727 -8.238 1.00 0.01 S ATOM 0 H CYS A 114 -11.570 -4.863 -7.587 1.00 0.01 H new ATOM 0 HA CYS A 114 -13.832 -4.789 -9.575 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -14.652 -4.775 -7.210 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -13.578 -3.442 -6.836 1.00 0.01 H new ATOM 0 HG CYS A 114 -16.495 -2.852 -7.541 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.598 -2.760 -10.630 1.00 0.01 N ATOM 1770 CA PRO A 115 -11.936 -1.529 -11.155 1.00 0.01 C ATOM 1771 C PRO A 115 -12.749 -0.268 -10.828 1.00 0.01 C ATOM 1772 O PRO A 115 -12.192 0.793 -10.612 1.00 0.01 O ATOM 1773 CB PRO A 115 -11.897 -1.798 -12.669 1.00 0.01 C ATOM 1774 CG PRO A 115 -12.927 -2.902 -12.976 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.282 -3.611 -11.652 1.00 0.01 C ATOM 0 HA PRO A 115 -10.954 -1.344 -10.720 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.132 -0.890 -13.225 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -10.899 -2.110 -12.976 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -13.821 -2.473 -13.429 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.518 -3.615 -13.692 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.359 -3.651 -11.490 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -12.918 -4.638 -11.633 1.00 0.01 H new ATOM 1783 N SER A 116 -14.055 -0.369 -10.804 1.00 0.01 N ATOM 1784 CA SER A 116 -14.905 0.824 -10.499 1.00 0.02 C ATOM 1785 C SER A 116 -16.088 0.376 -9.636 1.00 0.01 C ATOM 1786 O SER A 116 -16.997 -0.296 -10.092 1.00 0.00 O ATOM 1787 CB SER A 116 -15.417 1.435 -11.805 1.00 0.01 C ATOM 1788 OG SER A 116 -16.527 2.280 -11.526 1.00 0.01 O ATOM 0 H SER A 116 -14.571 -1.230 -10.983 1.00 0.01 H new ATOM 0 HA SER A 116 -14.321 1.572 -9.964 1.00 0.02 H new ATOM 0 HB2 SER A 116 -14.624 2.005 -12.288 1.00 0.01 H new ATOM 0 HB3 SER A 116 -15.711 0.647 -12.498 1.00 0.01 H new ATOM 0 HG SER A 116 -16.755 2.795 -12.328 1.00 0.01 H new ATOM 1794 N ILE A 117 -16.055 0.722 -8.379 1.00 0.01 N ATOM 1795 CA ILE A 117 -17.137 0.305 -7.443 1.00 0.01 C ATOM 1796 C ILE A 117 -18.472 0.944 -7.822 1.00 0.01 C ATOM 1797 O ILE A 117 -19.508 0.319 -7.712 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.752 0.724 -6.025 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.558 -0.112 -5.572 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.924 0.491 -5.066 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.962 0.495 -4.307 1.00 1.83 C ATOM 0 H ILE A 117 -15.316 1.283 -7.955 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.253 -0.777 -7.501 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.497 1.784 -6.019 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.871 -1.139 -5.383 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.806 -0.148 -6.360 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.636 0.794 -4.059 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.782 1.080 -5.390 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -18.189 -0.566 -5.065 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -14.109 -0.102 -3.984 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.634 1.514 -4.512 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.716 0.508 -3.520 1.00 1.83 H new ATOM 1813 N MET A 118 -18.472 2.183 -8.230 1.00 0.02 N ATOM 1814 CA MET A 118 -19.768 2.830 -8.566 1.00 0.01 C ATOM 1815 C MET A 118 -20.374 2.154 -9.791 1.00 0.01 C ATOM 1816 O MET A 118 -21.567 1.960 -9.870 1.00 0.02 O ATOM 1817 CB MET A 118 -19.571 4.324 -8.840 1.00 0.24 C ATOM 1818 CG MET A 118 -20.930 4.983 -9.074 1.00 0.63 C ATOM 1819 SD MET A 118 -20.708 6.768 -9.272 1.00 1.20 S ATOM 1820 CE MET A 118 -20.441 6.765 -11.063 1.00 1.34 C ATOM 0 H MET A 118 -17.643 2.767 -8.344 1.00 0.02 H new ATOM 0 HA MET A 118 -20.444 2.721 -7.718 1.00 0.01 H new ATOM 0 HB2 MET A 118 -19.067 4.796 -7.997 1.00 0.24 H new ATOM 0 HB3 MET A 118 -18.932 4.463 -9.712 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.401 4.563 -9.963 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.594 4.779 -8.234 1.00 0.63 H new ATOM 0 HE1 MET A 118 -20.279 7.786 -11.408 1.00 1.34 H new ATOM 0 HE2 MET A 118 -19.566 6.159 -11.299 1.00 1.34 H new ATOM 0 HE3 MET A 118 -21.316 6.348 -11.561 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.579 1.781 -10.746 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.149 1.120 -11.945 1.00 0.02 C ATOM 1832 C GLU A 119 -20.652 -0.277 -11.575 1.00 0.02 C ATOM 1833 O GLU A 119 -21.649 -0.744 -12.089 1.00 0.01 O ATOM 1834 CB GLU A 119 -19.069 1.002 -13.022 1.00 0.30 C ATOM 1835 CG GLU A 119 -19.696 0.485 -14.319 1.00 0.99 C ATOM 1836 CD GLU A 119 -18.639 0.460 -15.424 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -17.728 1.270 -15.364 1.00 2.11 O ATOM 1838 OE2 GLU A 119 -18.760 -0.366 -16.312 1.00 2.07 O ATOM 0 H GLU A 119 -18.566 1.903 -10.750 1.00 0.01 H new ATOM 0 HA GLU A 119 -20.981 1.714 -12.323 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.603 1.972 -13.193 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -18.282 0.324 -12.690 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -20.101 -0.515 -14.166 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -20.529 1.124 -14.612 1.00 0.99 H new ATOM 1845 N GLN A 120 -19.936 -0.973 -10.731 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.336 -2.370 -10.382 1.00 0.01 C ATOM 1847 C GLN A 120 -21.455 -2.408 -9.328 1.00 0.01 C ATOM 1848 O GLN A 120 -22.399 -3.163 -9.453 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.100 -3.120 -9.852 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.233 -4.626 -10.116 1.00 1.07 C ATOM 1851 CD GLN A 120 -20.588 -5.127 -9.607 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -20.920 -4.925 -8.363 1.00 0.98 O flip ATOM 1853 NE2 GLN A 120 -21.351 -5.710 -10.352 1.00 2.08 N flip ATOM 0 H GLN A 120 -19.092 -0.635 -10.268 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.723 -2.848 -11.282 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.200 -2.738 -10.335 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -18.989 -2.940 -8.783 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -19.139 -4.827 -11.183 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -18.426 -5.164 -9.618 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -21.092 -5.868 -11.326 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -22.251 -6.041 -10.004 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.314 -1.657 -8.259 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.329 -1.713 -7.149 1.00 0.01 C ATOM 1864 C PHE A 121 -23.151 -0.428 -7.029 1.00 0.01 C ATOM 1865 O PHE A 121 -24.017 -0.323 -6.184 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.595 -1.955 -5.830 1.00 0.01 C ATOM 1867 CG PHE A 121 -20.850 -3.267 -5.901 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -21.516 -4.464 -5.613 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -19.496 -3.287 -6.254 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -20.828 -5.682 -5.678 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -18.807 -4.505 -6.318 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.473 -5.702 -6.030 1.00 0.01 C ATOM 0 H PHE A 121 -20.542 -1.008 -8.105 1.00 0.02 H new ATOM 0 HA PHE A 121 -23.023 -2.521 -7.378 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -20.899 -1.140 -5.634 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.306 -1.973 -5.004 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -22.561 -4.448 -5.341 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -18.982 -2.364 -6.477 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -21.342 -6.605 -5.457 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -17.762 -4.520 -6.590 1.00 0.01 H new ATOM 0 HZ PHE A 121 -18.942 -6.641 -6.079 1.00 0.01 H new ATOM 1882 N HIS A 122 -22.894 0.555 -7.844 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.671 1.821 -7.740 1.00 0.01 C ATOM 1884 C HIS A 122 -23.473 2.436 -6.351 1.00 0.01 C ATOM 1885 O HIS A 122 -24.367 3.050 -5.804 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.155 1.526 -7.988 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.286 0.495 -9.074 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -25.104 -0.858 -8.835 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -25.581 0.603 -10.411 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -25.289 -1.505 -10.000 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -25.581 -0.662 -10.994 1.00 0.01 N ATOM 0 H HIS A 122 -22.183 0.538 -8.575 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.320 2.532 -8.488 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.623 1.166 -7.072 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.676 2.440 -8.275 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -25.782 1.528 -10.931 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -25.211 -2.576 -10.117 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -25.765 -0.895 -11.970 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.300 2.274 -5.777 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.022 2.849 -4.412 1.00 0.01 C ATOM 1901 C LEU A 123 -20.981 3.969 -4.550 1.00 0.02 C ATOM 1902 O LEU A 123 -19.998 3.834 -5.250 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.470 1.739 -3.487 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.614 1.049 -2.714 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.150 -0.328 -2.224 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.007 1.890 -1.489 1.00 0.01 C ATOM 0 H LEU A 123 -21.520 1.767 -6.195 1.00 0.01 H new ATOM 0 HA LEU A 123 -22.941 3.248 -3.982 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -20.929 1.001 -4.080 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -20.756 2.168 -2.783 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.469 0.945 -3.382 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -22.960 -0.812 -1.679 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -21.870 -0.943 -3.079 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.290 -0.209 -1.565 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -23.815 1.394 -0.951 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.145 1.998 -0.830 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.340 2.875 -1.816 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.200 5.080 -3.889 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.236 6.218 -3.983 1.00 0.00 C ATOM 1920 C ARG A 124 -19.199 6.148 -2.854 1.00 0.01 C ATOM 1921 O ARG A 124 -18.124 6.702 -2.955 1.00 0.01 O ATOM 1922 CB ARG A 124 -20.999 7.540 -3.875 1.00 1.67 C ATOM 1923 CG ARG A 124 -22.044 7.622 -4.989 1.00 1.98 C ATOM 1924 CD ARG A 124 -22.742 8.982 -4.935 1.00 2.92 C ATOM 1925 NE ARG A 124 -21.818 10.034 -5.447 1.00 3.54 N ATOM 1926 CZ ARG A 124 -22.282 11.211 -5.767 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -23.554 11.472 -5.635 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -21.473 12.131 -6.217 1.00 5.32 N ATOM 0 H ARG A 124 -22.007 5.247 -3.288 1.00 0.01 H new ATOM 0 HA ARG A 124 -19.720 6.155 -4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -21.484 7.613 -2.902 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -20.306 8.378 -3.950 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -21.568 7.484 -5.960 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -22.775 6.821 -4.876 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -23.653 8.960 -5.534 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -23.039 9.210 -3.911 1.00 2.92 H new ATOM 0 HE ARG A 124 -20.823 9.834 -5.547 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -24.188 10.755 -5.281 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -23.914 12.393 -5.886 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -20.478 11.930 -6.319 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -21.836 13.051 -6.467 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.523 5.494 -1.763 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.564 5.416 -0.615 1.00 0.01 C ATOM 1944 C GLU A 125 -18.754 4.097 0.142 1.00 0.01 C ATOM 1945 O GLU A 125 -19.768 3.440 0.014 1.00 0.01 O ATOM 1946 CB GLU A 125 -18.835 6.571 0.349 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.555 7.901 -0.355 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.571 9.034 0.670 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.200 8.866 1.700 1.00 0.01 O ATOM 1950 OE2 GLU A 125 -17.953 10.053 0.405 1.00 0.02 O ATOM 0 H GLU A 125 -20.410 5.011 -1.618 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.547 5.473 -1.002 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -19.870 6.539 0.690 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.205 6.476 1.233 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.587 7.863 -0.856 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.305 8.082 -1.125 1.00 0.01 H new ATOM 1957 N ILE A 126 -17.795 3.725 0.956 1.00 0.01 N ATOM 1958 CA ILE A 126 -17.915 2.466 1.768 1.00 0.01 C ATOM 1959 C ILE A 126 -17.546 2.815 3.214 1.00 0.01 C ATOM 1960 O ILE A 126 -16.546 3.464 3.452 1.00 0.01 O ATOM 1961 CB ILE A 126 -16.953 1.407 1.217 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.537 0.848 -0.083 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -16.784 0.268 2.233 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.513 -0.060 -0.759 1.00 1.70 C ATOM 0 H ILE A 126 -16.927 4.242 1.096 1.00 0.01 H new ATOM 0 HA ILE A 126 -18.928 2.066 1.721 1.00 0.01 H new ATOM 0 HB ILE A 126 -15.978 1.858 1.031 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.449 0.290 0.127 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -17.810 1.665 -0.751 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.099 -0.479 1.832 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.381 0.667 3.164 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -17.752 -0.194 2.426 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -16.932 -0.456 -1.684 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.613 0.511 -0.984 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.262 -0.885 -0.092 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.369 2.452 4.179 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.069 2.853 5.601 1.00 0.01 C ATOM 1978 C HIS A 127 -17.606 1.679 6.470 1.00 0.01 C ATOM 1979 O HIS A 127 -17.069 1.880 7.541 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.315 3.497 6.225 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.511 4.879 5.660 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.406 5.145 4.304 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -19.808 6.080 6.255 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -19.636 6.460 4.129 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -19.886 7.077 5.287 1.00 0.02 N ATOM 0 H HIS A 127 -19.220 1.906 4.048 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.245 3.566 5.566 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.193 2.883 6.023 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.205 3.549 7.308 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -19.958 6.229 7.314 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -19.620 6.955 3.169 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -20.090 8.066 5.431 1.00 0.02 H new ATOM 1993 N SER A 128 -17.758 0.463 6.026 1.00 0.01 N ATOM 1994 CA SER A 128 -17.263 -0.681 6.855 1.00 0.01 C ATOM 1995 C SER A 128 -16.990 -1.861 5.927 1.00 0.01 C ATOM 1996 O SER A 128 -17.570 -1.972 4.870 1.00 0.01 O ATOM 1997 CB SER A 128 -18.325 -1.063 7.896 1.00 0.01 C ATOM 1998 OG SER A 128 -18.330 -2.474 8.075 1.00 0.01 O ATOM 0 H SER A 128 -18.196 0.209 5.140 1.00 0.01 H new ATOM 0 HA SER A 128 -16.349 -0.402 7.379 1.00 0.01 H new ATOM 0 HB2 SER A 128 -18.115 -0.567 8.844 1.00 0.01 H new ATOM 0 HB3 SER A 128 -19.308 -0.724 7.569 1.00 0.01 H new ATOM 0 HG SER A 128 -18.316 -2.682 9.033 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.096 -2.741 6.282 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.802 -3.878 5.375 1.00 0.01 C ATOM 2006 C CYS A 129 -15.061 -4.968 6.141 1.00 0.00 C ATOM 2007 O CYS A 129 -14.245 -4.699 7.003 1.00 0.01 O ATOM 2008 CB CYS A 129 -14.940 -3.377 4.216 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.185 -4.777 3.348 1.00 1.22 S ATOM 0 H CYS A 129 -15.563 -2.721 7.151 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.732 -4.292 4.987 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.550 -2.797 3.524 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -14.163 -2.711 4.592 1.00 0.69 H new ATOM 0 HG CYS A 129 -15.072 -5.713 3.180 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.336 -6.208 5.827 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.653 -7.336 6.528 1.00 0.01 C ATOM 2017 C LYS A 130 -13.926 -8.192 5.493 1.00 0.01 C ATOM 2018 O LYS A 130 -14.524 -8.850 4.666 1.00 0.01 O ATOM 2019 CB LYS A 130 -15.699 -8.186 7.281 1.00 0.55 C ATOM 2020 CG LYS A 130 -15.059 -8.848 8.513 1.00 0.80 C ATOM 2021 CD LYS A 130 -15.904 -10.043 8.968 1.00 0.29 C ATOM 2022 CE LYS A 130 -17.275 -9.557 9.449 1.00 0.33 C ATOM 2023 NZ LYS A 130 -17.099 -8.462 10.445 1.00 1.41 N ATOM 0 H LYS A 130 -16.007 -6.489 5.112 1.00 0.01 H new ATOM 0 HA LYS A 130 -13.933 -6.947 7.248 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -16.535 -7.558 7.590 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -16.103 -8.950 6.617 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.048 -9.178 8.274 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -14.975 -8.123 9.323 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -16.026 -10.748 8.146 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -15.395 -10.575 9.771 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -17.863 -9.201 8.603 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -17.828 -10.383 9.896 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -17.908 -8.454 11.098 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -16.222 -8.619 10.982 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -17.044 -7.549 9.951 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.631 -8.184 5.564 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.790 -8.993 4.642 1.00 0.01 C ATOM 2039 C VAL A 131 -11.233 -10.116 5.478 1.00 0.01 C ATOM 2040 O VAL A 131 -10.524 -9.862 6.440 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.638 -8.136 4.112 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -9.804 -8.944 3.116 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.196 -6.894 3.415 1.00 0.01 C ATOM 0 H VAL A 131 -12.102 -7.635 6.242 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.362 -9.361 3.791 1.00 0.01 H new ATOM 0 HB VAL A 131 -10.008 -7.832 4.948 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -8.986 -8.328 2.743 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.398 -9.825 3.612 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.434 -9.255 2.282 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.372 -6.287 3.039 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -11.831 -7.198 2.583 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -11.782 -6.311 4.125 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.458 -11.363 5.104 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.826 -12.463 5.896 1.00 0.01 C ATOM 2055 C VAL A 132 -10.486 -13.598 4.947 1.00 0.00 C ATOM 2056 O VAL A 132 -11.066 -14.661 5.011 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.813 -12.965 6.954 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -11.089 -13.907 7.917 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.377 -11.775 7.735 1.00 1.98 C ATOM 0 H VAL A 132 -12.032 -11.653 4.312 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.926 -12.100 6.391 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.629 -13.497 6.465 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.790 -14.266 8.671 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.687 -14.755 7.363 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.274 -13.373 8.404 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -13.079 -12.134 8.488 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.562 -11.242 8.224 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.892 -11.101 7.050 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.545 -13.393 4.086 1.00 0.01 N ATOM 2070 CA GLU A 133 -9.142 -14.465 3.140 1.00 0.01 C ATOM 2071 C GLU A 133 -8.157 -13.831 2.158 1.00 0.01 C ATOM 2072 O GLU A 133 -8.554 -13.038 1.325 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.393 -15.038 2.412 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.632 -16.505 2.816 1.00 0.00 C ATOM 2075 CD GLU A 133 -9.620 -17.404 2.104 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -8.492 -17.470 2.562 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -9.990 -18.011 1.112 1.00 0.00 O ATOM 0 H GLU A 133 -9.028 -12.519 3.992 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.673 -15.303 3.656 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.270 -14.440 2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.255 -14.970 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.535 -16.616 3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -11.647 -16.804 2.554 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.896 -14.153 2.253 1.00 0.01 N ATOM 2085 CA GLY A 134 -5.899 -13.546 1.321 1.00 0.01 C ATOM 2086 C GLY A 134 -5.693 -12.069 1.678 1.00 0.01 C ATOM 2087 O GLY A 134 -6.214 -11.582 2.662 1.00 0.01 O ATOM 0 H GLY A 134 -6.512 -14.809 2.934 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -4.952 -14.082 1.386 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.246 -13.637 0.292 1.00 0.01 H new ATOM 2091 N THR A 135 -4.934 -11.353 0.880 1.00 0.01 N ATOM 2092 CA THR A 135 -4.679 -9.899 1.153 1.00 0.01 C ATOM 2093 C THR A 135 -5.364 -9.055 0.072 1.00 0.01 C ATOM 2094 O THR A 135 -5.423 -9.441 -1.080 1.00 0.01 O ATOM 2095 CB THR A 135 -3.170 -9.639 1.125 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.503 -10.660 1.855 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.870 -8.279 1.759 1.00 2.30 C ATOM 0 H THR A 135 -4.476 -11.716 0.044 1.00 0.01 H new ATOM 0 HA THR A 135 -5.077 -9.631 2.131 1.00 0.01 H new ATOM 0 HB THR A 135 -2.821 -9.640 0.092 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.537 -10.497 1.837 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.796 -8.097 1.738 1.00 2.30 H new ATOM 0 HG22 THR A 135 -3.382 -7.496 1.200 1.00 2.30 H new ATOM 0 HG23 THR A 135 -3.218 -8.274 2.792 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.893 -7.910 0.439 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.599 -7.031 -0.553 1.00 0.01 C ATOM 2107 C TRP A 136 -6.055 -5.598 -0.481 1.00 0.01 C ATOM 2108 O TRP A 136 -5.716 -5.098 0.572 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.099 -7.014 -0.233 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.725 -8.304 -0.663 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.682 -9.461 0.039 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.486 -8.586 -1.872 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.371 -10.433 -0.663 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.884 -9.944 -1.848 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.867 -7.806 -2.979 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.632 -10.507 -2.882 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.621 -8.371 -4.023 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -11.001 -9.719 -3.973 1.00 0.01 C ATOM 0 H TRP A 136 -5.866 -7.543 1.390 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.431 -7.425 -1.556 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.250 -6.865 0.836 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.579 -6.179 -0.743 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.191 -9.602 0.990 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.486 -11.395 -0.344 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.579 -6.766 -3.027 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -10.924 -11.546 -2.839 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -10.909 -7.763 -4.868 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.579 -10.148 -4.778 1.00 0.01 H new ATOM 2129 N ILE A 137 -6.009 -4.915 -1.599 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.537 -3.495 -1.617 1.00 0.00 C ATOM 2131 C ILE A 137 -6.707 -2.631 -2.080 1.00 0.01 C ATOM 2132 O ILE A 137 -7.430 -3.000 -2.981 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.388 -3.333 -2.618 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.281 -4.339 -2.307 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.814 -1.914 -2.524 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.108 -4.108 -3.264 1.00 1.69 C ATOM 0 H ILE A 137 -6.281 -5.285 -2.510 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.188 -3.204 -0.626 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.770 -3.509 -3.623 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -2.951 -4.227 -1.274 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.657 -5.356 -2.413 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -2.997 -1.804 -3.238 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.596 -1.189 -2.752 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.440 -1.739 -1.515 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.315 -4.823 -3.047 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.445 -4.241 -4.292 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.728 -3.095 -3.136 1.00 1.69 H new ATOM 2148 N PHE A 138 -6.870 -1.466 -1.496 1.00 0.01 N ATOM 2149 CA PHE A 138 -7.970 -0.535 -1.927 1.00 0.01 C ATOM 2150 C PHE A 138 -7.307 0.704 -2.534 1.00 0.01 C ATOM 2151 O PHE A 138 -6.281 1.150 -2.064 1.00 0.00 O ATOM 2152 CB PHE A 138 -8.895 -0.199 -0.717 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.627 1.164 -0.075 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -8.810 2.358 -0.799 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.229 1.229 1.267 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -8.584 3.595 -0.184 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.009 2.468 1.879 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.183 3.650 1.153 1.00 2.49 C ATOM 0 H PHE A 138 -6.287 -1.116 -0.736 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.614 -0.993 -2.678 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -9.933 -0.233 -1.048 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.777 -0.973 0.041 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.125 2.319 -1.831 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -8.091 0.319 1.832 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -8.720 4.508 -0.744 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.704 2.511 2.914 1.00 2.01 H new ATOM 0 HZ PHE A 138 -8.007 4.605 1.626 1.00 2.49 H new ATOM 2168 N TYR A 139 -7.892 1.265 -3.570 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.308 2.486 -4.218 1.00 0.01 C ATOM 2170 C TYR A 139 -8.353 3.608 -4.219 1.00 0.01 C ATOM 2171 O TYR A 139 -9.546 3.366 -4.322 1.00 0.01 O ATOM 2172 CB TYR A 139 -6.898 2.162 -5.658 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.219 0.812 -5.703 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -4.836 0.719 -5.516 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -6.972 -0.344 -5.937 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -4.205 -0.530 -5.565 1.00 0.02 C ATOM 2177 CE2 TYR A 139 -6.342 -1.593 -5.987 1.00 0.01 C ATOM 2178 CZ TYR A 139 -4.958 -1.687 -5.800 1.00 0.02 C ATOM 2179 OH TYR A 139 -4.334 -2.917 -5.850 1.00 0.00 O ATOM 0 H TYR A 139 -8.755 0.926 -3.996 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.428 2.807 -3.661 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -7.776 2.160 -6.305 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.225 2.931 -6.037 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -4.255 1.611 -5.334 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -8.040 -0.272 -6.079 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -3.137 -0.601 -5.421 1.00 0.02 H new ATOM 0 HE2 TYR A 139 -6.924 -2.484 -6.170 1.00 0.01 H new ATOM 0 HH TYR A 139 -3.372 -2.802 -5.703 1.00 0.00 H new ATOM 2189 N GLU A 140 -7.912 4.829 -4.054 1.00 0.01 N ATOM 2190 CA GLU A 140 -8.860 5.979 -3.969 1.00 0.02 C ATOM 2191 C GLU A 140 -9.472 6.325 -5.332 1.00 0.01 C ATOM 2192 O GLU A 140 -10.584 6.812 -5.385 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.075 7.189 -3.456 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.053 8.282 -3.021 1.00 0.02 C ATOM 2195 CD GLU A 140 -8.271 9.531 -2.613 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -7.484 10.004 -3.417 1.00 0.01 O ATOM 2197 OE2 GLU A 140 -8.470 9.994 -1.502 1.00 0.02 O ATOM 0 H GLU A 140 -6.927 5.080 -3.974 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.679 5.710 -3.301 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.442 6.897 -2.618 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.415 7.566 -4.237 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.737 8.518 -3.836 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -9.660 7.931 -2.187 1.00 0.02 H new ATOM 2204 N LEU A 141 -8.783 6.103 -6.433 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.372 6.454 -7.774 1.00 0.02 C ATOM 2206 C LEU A 141 -9.574 5.161 -8.595 1.00 0.01 C ATOM 2207 O LEU A 141 -8.872 4.186 -8.394 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.390 7.388 -8.512 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.599 8.849 -8.061 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.328 9.660 -8.334 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -9.768 9.487 -8.827 1.00 1.24 C ATOM 0 H LEU A 141 -7.847 5.698 -6.462 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.333 6.952 -7.646 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.364 7.081 -8.310 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.540 7.308 -9.589 1.00 0.57 H new ATOM 0 HG LEU A 141 -8.824 8.851 -6.994 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.479 10.691 -8.015 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.494 9.227 -7.781 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.106 9.640 -9.401 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -9.901 10.517 -8.496 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.553 9.474 -9.896 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.681 8.923 -8.634 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.519 5.151 -9.524 1.00 0.01 N ATOM 2224 CA PRO A 142 -10.779 3.938 -10.354 1.00 0.01 C ATOM 2225 C PRO A 142 -9.523 3.432 -11.070 1.00 0.01 C ATOM 2226 O PRO A 142 -8.516 4.104 -11.168 1.00 0.01 O ATOM 2227 CB PRO A 142 -11.842 4.431 -11.363 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.059 5.940 -11.139 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.389 6.330 -9.813 1.00 0.01 C ATOM 0 HA PRO A 142 -11.105 3.087 -9.755 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.512 4.242 -12.385 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -12.777 3.888 -11.225 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -11.632 6.512 -11.963 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.124 6.171 -11.109 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -10.809 7.248 -9.907 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.121 6.496 -9.023 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.622 2.240 -11.588 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.493 1.626 -12.338 1.00 0.01 C ATOM 2239 C ASN A 143 -7.249 1.504 -11.458 1.00 0.01 C ATOM 2240 O ASN A 143 -6.130 1.546 -11.928 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.166 2.492 -13.555 1.00 0.23 C ATOM 2242 CG ASN A 143 -9.463 2.889 -14.262 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -10.525 2.143 -14.120 1.00 0.75 O flip ATOM 2244 ND2 ASN A 143 -9.511 3.887 -14.952 1.00 0.56 N flip ATOM 0 H ASN A 143 -10.455 1.655 -11.521 1.00 0.01 H new ATOM 0 HA ASN A 143 -8.792 0.626 -12.653 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -7.621 3.383 -13.244 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.518 1.945 -14.240 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -8.682 4.470 -15.063 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -10.381 4.142 -15.420 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.447 1.316 -10.182 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.298 1.144 -9.246 1.00 0.02 C ATOM 2253 C TYR A 144 -5.356 2.354 -9.305 1.00 0.01 C ATOM 2254 O TYR A 144 -4.162 2.208 -9.472 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.530 -0.140 -9.624 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.490 -1.137 -10.244 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.623 -1.550 -9.533 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.252 -1.639 -11.532 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.515 -2.465 -10.107 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.145 -2.552 -12.106 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.277 -2.965 -11.393 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.157 -3.865 -11.959 1.00 0.01 O ATOM 0 H TYR A 144 -8.366 1.274 -9.742 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.680 1.064 -8.228 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -4.729 0.095 -10.325 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.062 -0.571 -8.739 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -7.809 -1.163 -8.542 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.379 -1.321 -12.082 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.387 -2.785 -9.557 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -6.961 -2.937 -13.098 1.00 0.01 H new ATOM 0 HH TYR A 144 -8.844 -4.110 -12.855 1.00 0.01 H new ATOM 2272 N ARG A 145 -5.888 3.546 -9.164 1.00 0.02 N ATOM 2273 CA ARG A 145 -5.024 4.777 -9.207 1.00 0.01 C ATOM 2274 C ARG A 145 -5.231 5.601 -7.937 1.00 0.01 C ATOM 2275 O ARG A 145 -6.182 5.402 -7.207 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.416 5.627 -10.416 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.288 4.791 -11.692 1.00 0.02 C ATOM 2278 CD ARG A 145 -5.791 5.605 -12.885 1.00 0.01 C ATOM 2279 NE ARG A 145 -7.238 5.907 -12.707 1.00 0.01 N ATOM 2280 CZ ARG A 145 -7.806 6.831 -13.431 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -7.105 7.491 -14.312 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -9.073 7.096 -13.276 1.00 0.01 N ATOM 0 H ARG A 145 -6.882 3.723 -9.021 1.00 0.02 H new ATOM 0 HA ARG A 145 -3.979 4.477 -9.282 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.439 5.986 -10.305 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -4.775 6.506 -10.479 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -4.249 4.501 -11.847 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -5.864 3.871 -11.596 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -5.223 6.532 -12.972 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -5.636 5.049 -13.809 1.00 0.01 H new ATOM 0 HE ARG A 145 -7.785 5.391 -12.018 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -6.114 7.284 -14.434 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -7.548 8.214 -14.879 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -9.621 6.580 -12.588 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -9.516 7.819 -13.843 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.337 6.517 -7.649 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.472 7.349 -6.416 1.00 0.02 C ATOM 2298 C GLY A 146 -3.769 6.656 -5.246 1.00 0.01 C ATOM 2299 O GLY A 146 -2.990 5.741 -5.425 1.00 0.02 O ATOM 0 H GLY A 146 -3.517 6.723 -8.219 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.037 8.335 -6.582 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.526 7.500 -6.181 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.040 7.094 -4.048 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.393 6.475 -2.856 1.00 0.01 C ATOM 2305 C ARG A 147 -3.917 5.051 -2.693 1.00 0.01 C ATOM 2306 O ARG A 147 -5.075 4.760 -2.932 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.745 7.296 -1.614 1.00 0.01 C ATOM 2308 CG ARG A 147 -3.069 6.682 -0.386 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.211 7.629 0.805 1.00 0.01 C ATOM 2310 NE ARG A 147 -2.866 6.904 2.061 1.00 0.02 N ATOM 2311 CZ ARG A 147 -2.628 7.573 3.155 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -2.686 8.877 3.148 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -2.332 6.939 4.256 1.00 0.02 N ATOM 0 H ARG A 147 -4.684 7.857 -3.842 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.311 6.455 -2.984 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.419 8.328 -1.743 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -4.826 7.318 -1.474 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.522 5.718 -0.153 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -2.015 6.497 -0.593 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -2.556 8.491 0.678 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -4.231 8.010 0.861 1.00 0.01 H new ATOM 0 HE ARG A 147 -2.816 5.885 2.065 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -2.917 9.373 2.287 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -2.500 9.400 4.003 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -2.287 5.920 4.261 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -2.146 7.462 5.112 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.038 4.153 -2.314 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.409 2.715 -2.153 1.00 0.01 C ATOM 2329 C GLN A 148 -3.196 2.303 -0.689 1.00 0.01 C ATOM 2330 O GLN A 148 -2.317 2.806 -0.018 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.473 1.884 -3.060 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.050 2.714 -4.285 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.624 1.785 -5.425 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -0.877 0.850 -5.217 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -2.072 2.005 -6.632 1.00 0.01 N ATOM 0 H GLN A 148 -2.062 4.363 -2.106 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.452 2.550 -2.425 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.591 1.574 -2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -2.980 0.975 -3.384 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -2.877 3.346 -4.609 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -1.227 3.377 -4.019 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -2.699 2.790 -6.808 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -1.795 1.392 -7.399 1.00 0.01 H new ATOM 2344 N TYR A 149 -3.990 1.387 -0.201 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.851 0.914 1.218 1.00 0.01 C ATOM 2346 C TYR A 149 -3.782 -0.620 1.234 1.00 0.01 C ATOM 2347 O TYR A 149 -4.449 -1.281 0.459 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.061 1.395 2.037 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.643 1.691 3.466 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.299 0.641 4.326 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.596 3.015 3.925 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -3.908 0.914 5.643 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.205 3.287 5.242 1.00 0.01 C ATOM 2354 CZ TYR A 149 -3.862 2.235 6.101 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.474 2.502 7.398 1.00 0.01 O ATOM 0 H TYR A 149 -4.739 0.938 -0.728 1.00 0.01 H new ATOM 0 HA TYR A 149 -2.940 1.320 1.657 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.485 2.290 1.582 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.841 0.633 2.029 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.335 -0.379 3.974 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -4.861 3.826 3.263 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.642 0.104 6.306 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.168 4.307 5.595 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.041 3.380 7.436 1.00 0.01 H new ATOM 2365 N LEU A 150 -2.983 -1.188 2.101 1.00 0.01 N ATOM 2366 CA LEU A 150 -2.859 -2.680 2.161 1.00 0.01 C ATOM 2367 C LEU A 150 -3.807 -3.230 3.236 1.00 0.01 C ATOM 2368 O LEU A 150 -3.704 -2.894 4.400 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.402 -3.017 2.515 1.00 0.01 C ATOM 2370 CG LEU A 150 -1.062 -4.470 2.090 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -0.358 -4.470 0.727 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -0.130 -5.115 3.126 1.00 0.01 C ATOM 0 H LEU A 150 -2.408 -0.682 2.774 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.125 -3.129 1.204 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.730 -2.319 2.016 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.245 -2.899 3.587 1.00 0.01 H new ATOM 0 HG LEU A 150 -1.991 -5.037 2.024 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -0.124 -5.495 0.438 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -1.013 -4.023 -0.021 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.564 -3.892 0.794 1.00 0.01 H new ATOM 0 HD21 LEU A 150 0.104 -6.135 2.820 1.00 0.01 H new ATOM 0 HD22 LEU A 150 0.791 -4.537 3.196 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -0.623 -5.132 4.098 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.734 -4.078 2.848 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.702 -4.668 3.826 1.00 0.01 C ATOM 2386 C LEU A 151 -5.352 -6.131 4.102 1.00 0.01 C ATOM 2387 O LEU A 151 -5.136 -6.908 3.192 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.116 -4.599 3.241 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.383 -3.195 2.690 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -8.847 -3.088 2.256 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.090 -2.151 3.776 1.00 0.01 C ATOM 0 H LEU A 151 -4.860 -4.388 1.885 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.650 -4.104 4.757 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.227 -5.338 2.448 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.849 -4.843 4.009 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.736 -3.013 1.832 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -9.038 -2.089 1.864 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -9.052 -3.827 1.482 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.495 -3.271 3.113 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.281 -1.153 3.382 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.734 -2.331 4.637 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -6.047 -2.227 4.082 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.327 -6.520 5.351 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.026 -7.942 5.708 1.00 0.01 C ATOM 2405 C ASP A 152 -6.315 -8.596 6.210 1.00 0.00 C ATOM 2406 O ASP A 152 -7.326 -7.941 6.359 1.00 0.01 O ATOM 2407 CB ASP A 152 -3.973 -7.975 6.818 1.00 1.04 C ATOM 2408 CG ASP A 152 -2.799 -7.073 6.434 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -2.895 -5.878 6.662 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -1.822 -7.592 5.921 1.00 1.57 O ATOM 0 H ASP A 152 -5.504 -5.908 6.148 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.646 -8.477 4.838 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -4.410 -7.640 7.759 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -3.625 -8.996 6.974 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.295 -9.875 6.475 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.533 -10.544 6.974 1.00 0.01 C ATOM 2417 C LYS A 153 -7.992 -9.834 8.250 1.00 0.01 C ATOM 2418 O LYS A 153 -7.658 -10.240 9.345 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.226 -12.012 7.286 1.00 0.38 C ATOM 2420 CG LYS A 153 -6.902 -12.757 5.990 1.00 0.71 C ATOM 2421 CD LYS A 153 -6.959 -14.266 6.236 1.00 0.72 C ATOM 2422 CE LYS A 153 -6.020 -14.636 7.385 1.00 1.09 C ATOM 2423 NZ LYS A 153 -4.742 -13.882 7.244 1.00 1.84 N ATOM 0 H LYS A 153 -5.482 -10.482 6.369 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.317 -10.494 6.219 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -6.385 -12.079 7.976 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.080 -12.475 7.780 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -7.612 -12.478 5.212 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -5.911 -12.474 5.634 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -7.979 -14.567 6.476 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -6.672 -14.803 5.332 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -6.489 -14.403 8.341 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -5.825 -15.708 7.378 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -3.966 -14.434 7.662 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -4.546 -13.717 6.236 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -4.822 -12.969 7.736 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.733 -8.755 8.119 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.184 -7.996 9.335 1.00 0.01 C ATOM 2439 C LYS A 154 -10.648 -7.558 9.216 1.00 0.01 C ATOM 2440 O LYS A 154 -11.256 -7.615 8.160 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.305 -6.755 9.500 1.00 0.39 C ATOM 2442 CG LYS A 154 -6.908 -7.173 9.964 1.00 0.48 C ATOM 2443 CD LYS A 154 -6.032 -5.929 10.127 1.00 0.97 C ATOM 2444 CE LYS A 154 -4.771 -6.292 10.914 1.00 1.44 C ATOM 2445 NZ LYS A 154 -3.894 -5.092 11.021 1.00 2.28 N ATOM 0 H LYS A 154 -9.044 -8.369 7.228 1.00 0.00 H new ATOM 0 HA LYS A 154 -9.095 -8.653 10.200 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -8.239 -6.216 8.555 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.752 -6.075 10.225 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -6.973 -7.712 10.909 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -6.461 -7.854 9.239 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -5.761 -5.531 9.149 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -6.585 -5.147 10.647 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -5.039 -6.650 11.908 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -4.239 -7.102 10.416 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -3.036 -5.336 11.556 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -3.629 -4.770 10.068 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -4.405 -4.332 11.514 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.199 -7.081 10.307 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.608 -6.581 10.320 1.00 0.01 C ATOM 2461 C GLU A 155 -12.581 -5.065 10.543 1.00 0.01 C ATOM 2462 O GLU A 155 -12.233 -4.600 11.611 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.373 -7.251 11.462 1.00 0.01 C ATOM 2464 CG GLU A 155 -13.093 -8.754 11.451 1.00 0.01 C ATOM 2465 CD GLU A 155 -14.101 -9.468 12.352 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -14.894 -8.784 12.977 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -14.062 -10.686 12.403 1.00 0.01 O ATOM 0 H GLU A 155 -10.721 -7.017 11.206 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.100 -6.813 9.375 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -13.071 -6.821 12.417 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -14.442 -7.069 11.354 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -13.161 -9.140 10.434 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -12.078 -8.948 11.798 1.00 0.01 H new ATOM 2474 N TYR A 156 -12.931 -4.286 9.546 1.00 0.00 N ATOM 2475 CA TYR A 156 -12.907 -2.798 9.702 1.00 0.01 C ATOM 2476 C TYR A 156 -14.325 -2.278 9.929 1.00 0.01 C ATOM 2477 O TYR A 156 -15.181 -2.399 9.075 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.317 -2.178 8.433 1.00 0.01 C ATOM 2479 CG TYR A 156 -10.924 -2.722 8.219 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -9.849 -2.194 8.945 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -10.707 -3.755 7.299 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.557 -2.700 8.753 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.415 -4.260 7.106 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.341 -3.732 7.834 1.00 0.01 C ATOM 2485 OH TYR A 156 -7.068 -4.231 7.643 1.00 0.01 O ATOM 0 H TYR A 156 -13.233 -4.618 8.630 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.295 -2.525 10.562 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -12.947 -2.409 7.574 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.287 -1.092 8.524 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.016 -1.396 9.653 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.536 -4.162 6.738 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -7.728 -2.294 9.314 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -9.247 -5.056 6.396 1.00 0.01 H new ATOM 0 HH TYR A 156 -7.094 -4.944 6.971 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.598 -1.736 11.086 1.00 0.01 N ATOM 2496 CA ARG A 157 -15.982 -1.257 11.380 1.00 0.01 C ATOM 2497 C ARG A 157 -16.150 0.218 11.003 1.00 0.00 C ATOM 2498 O ARG A 157 -17.247 0.654 10.716 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.259 -1.424 12.874 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.097 -0.838 13.680 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.497 -0.730 15.153 1.00 0.00 C ATOM 2502 NE ARG A 157 -16.084 -2.023 15.606 1.00 0.01 N ATOM 2503 CZ ARG A 157 -16.212 -2.268 16.881 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -15.830 -1.381 17.758 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -16.724 -3.401 17.278 1.00 0.01 N ATOM 0 H ARG A 157 -13.924 -1.604 11.840 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.684 -1.846 10.790 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.189 -0.922 13.140 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.386 -2.479 13.115 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.215 -1.470 13.578 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -14.831 0.145 13.292 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -14.626 -0.482 15.760 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -16.219 0.076 15.286 1.00 0.00 H new ATOM 0 HE ARG A 157 -16.385 -2.715 14.920 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -15.431 -0.495 17.447 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -15.930 -1.573 18.755 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -17.023 -4.094 16.592 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -16.825 -3.594 18.275 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.090 0.991 10.991 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.204 2.440 10.618 1.00 0.01 C ATOM 2521 C LYS A 158 -14.218 2.729 9.472 1.00 0.01 C ATOM 2522 O LYS A 158 -13.209 2.064 9.354 1.00 0.01 O ATOM 2523 CB LYS A 158 -14.835 3.291 11.845 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.050 3.430 12.766 1.00 0.97 C ATOM 2525 CD LYS A 158 -15.628 4.109 14.070 1.00 1.44 C ATOM 2526 CE LYS A 158 -16.873 4.471 14.881 1.00 2.13 C ATOM 2527 NZ LYS A 158 -17.610 5.568 14.194 1.00 2.54 N ATOM 0 H LYS A 158 -14.147 0.681 11.224 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.218 2.678 10.298 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.009 2.828 12.385 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -14.494 4.276 11.526 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -16.827 4.015 12.274 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.475 2.448 12.976 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -14.985 3.444 14.647 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -15.048 5.006 13.854 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -17.516 3.598 14.989 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -16.588 4.783 15.886 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -18.200 6.075 14.884 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -16.930 6.229 13.768 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -18.215 5.167 13.450 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.469 3.723 8.647 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.516 4.051 7.546 1.00 0.02 C ATOM 2543 C PRO A 159 -12.147 4.444 8.118 1.00 0.01 C ATOM 2544 O PRO A 159 -11.119 4.057 7.598 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.219 5.229 6.844 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.369 5.707 7.750 1.00 0.70 C ATOM 2547 CD PRO A 159 -15.684 4.580 8.744 1.00 0.28 C ATOM 0 HA PRO A 159 -13.306 3.223 6.869 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.514 6.040 6.664 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.603 4.919 5.872 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.085 6.616 8.281 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.249 5.948 7.154 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -15.835 4.959 9.755 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.588 4.036 8.470 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.117 5.203 9.173 1.00 0.01 N ATOM 2556 CA VAL A 160 -10.806 5.597 9.753 1.00 0.02 C ATOM 2557 C VAL A 160 -10.057 4.334 10.185 1.00 0.02 C ATOM 2558 O VAL A 160 -8.855 4.340 10.344 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.039 6.497 10.966 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -9.693 6.959 11.525 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -11.864 7.716 10.545 1.00 0.74 C ATOM 0 H VAL A 160 -12.938 5.566 9.657 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.217 6.138 9.012 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.578 5.941 11.733 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -9.859 7.601 12.390 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.106 6.091 11.825 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.153 7.515 10.759 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -12.031 8.359 11.409 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.326 8.272 9.778 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -12.824 7.386 10.148 1.00 0.74 H new ATOM 2571 N ASP A 161 -10.754 3.248 10.373 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.055 2.001 10.789 1.00 0.01 C ATOM 2573 C ASP A 161 -9.119 1.531 9.667 1.00 0.01 C ATOM 2574 O ASP A 161 -8.225 0.737 9.884 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.088 0.907 11.086 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.441 -0.198 11.925 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.241 -0.382 11.804 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -11.158 -0.841 12.675 1.00 0.00 O ATOM 0 H ASP A 161 -11.765 3.170 10.258 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.469 2.201 11.686 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -11.939 1.331 11.619 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -11.471 0.492 10.154 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.301 2.040 8.469 1.00 0.01 N ATOM 2584 CA TRP A 162 -8.399 1.648 7.336 1.00 0.01 C ATOM 2585 C TRP A 162 -7.313 2.724 7.198 1.00 0.01 C ATOM 2586 O TRP A 162 -6.567 2.732 6.239 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.192 1.588 6.002 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.650 0.200 5.611 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -9.128 -1.001 6.001 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -10.732 -0.124 4.687 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -9.836 -2.017 5.383 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -10.832 -1.527 4.567 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -11.633 0.670 3.954 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -11.788 -2.125 3.746 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -12.597 0.072 3.127 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -12.674 -1.322 3.023 1.00 0.01 C ATOM 0 H TRP A 162 -10.033 2.708 8.228 1.00 0.01 H new ATOM 0 HA TRP A 162 -7.970 0.667 7.542 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.064 2.236 6.082 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -8.568 1.990 5.204 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -8.299 -1.135 6.680 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -9.643 -3.010 5.516 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -11.583 1.746 4.028 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -11.843 -3.201 3.670 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -13.283 0.691 2.568 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -13.417 -1.776 2.385 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.197 3.615 8.140 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.137 4.653 8.037 1.00 0.01 C ATOM 2609 C GLY A 163 -6.554 5.742 7.048 1.00 0.01 C ATOM 2610 O GLY A 163 -5.754 6.557 6.630 1.00 0.01 O ATOM 0 H GLY A 163 -7.786 3.670 8.971 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -5.954 5.093 9.017 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.202 4.196 7.713 1.00 0.01 H new ATOM 2614 N ALA A 164 -7.801 5.747 6.645 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.274 6.762 5.654 1.00 0.02 C ATOM 2616 C ALA A 164 -9.005 7.896 6.372 1.00 0.01 C ATOM 2617 O ALA A 164 -9.733 7.685 7.320 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.264 6.090 4.701 1.00 0.01 C ATOM 0 H ALA A 164 -8.514 5.089 6.961 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.416 7.161 5.114 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -9.618 6.818 3.972 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -8.770 5.268 4.183 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.111 5.704 5.269 1.00 0.01 H new ATOM 2624 N ALA A 165 -8.810 9.100 5.910 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.483 10.269 6.540 1.00 0.01 C ATOM 2626 C ALA A 165 -10.890 10.435 5.961 1.00 0.02 C ATOM 2627 O ALA A 165 -11.674 11.223 6.451 1.00 0.01 O ATOM 2628 CB ALA A 165 -8.677 11.541 6.264 1.00 0.59 C ATOM 0 H ALA A 165 -8.209 9.325 5.117 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.548 10.100 7.615 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.173 12.394 6.727 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -7.675 11.434 6.680 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -8.608 11.702 5.188 1.00 0.59 H new ATOM 2634 N SER A 166 -11.235 9.692 4.934 1.00 0.01 N ATOM 2635 CA SER A 166 -12.607 9.800 4.344 1.00 0.01 C ATOM 2636 C SER A 166 -13.059 8.400 3.877 1.00 0.02 C ATOM 2637 O SER A 166 -12.233 7.587 3.513 1.00 0.01 O ATOM 2638 CB SER A 166 -12.569 10.750 3.146 1.00 0.72 C ATOM 2639 OG SER A 166 -12.443 12.086 3.613 1.00 0.87 O ATOM 0 H SER A 166 -10.623 9.014 4.479 1.00 0.01 H new ATOM 0 HA SER A 166 -13.304 10.185 5.088 1.00 0.01 H new ATOM 0 HB2 SER A 166 -11.732 10.499 2.494 1.00 0.72 H new ATOM 0 HB3 SER A 166 -13.477 10.643 2.553 1.00 0.72 H new ATOM 0 HG SER A 166 -12.416 12.699 2.849 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.347 8.101 3.866 1.00 0.02 N ATOM 2646 CA PRO A 167 -14.815 6.757 3.405 1.00 0.01 C ATOM 2647 C PRO A 167 -14.759 6.611 1.877 1.00 0.01 C ATOM 2648 O PRO A 167 -15.465 5.802 1.297 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.271 6.749 3.896 1.00 0.38 C ATOM 2650 CG PRO A 167 -16.697 8.213 4.083 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.421 9.042 4.310 1.00 0.22 C ATOM 0 HA PRO A 167 -14.201 5.938 3.781 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -16.917 6.250 3.174 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.357 6.201 4.834 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.235 8.571 3.205 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.373 8.310 4.933 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.424 9.961 3.725 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.303 9.330 5.355 1.00 0.22 H new ATOM 2659 N ALA A 168 -13.964 7.412 1.216 1.00 0.01 N ATOM 2660 CA ALA A 168 -13.913 7.331 -0.271 1.00 0.01 C ATOM 2661 C ALA A 168 -12.958 6.228 -0.744 1.00 0.01 C ATOM 2662 O ALA A 168 -11.778 6.221 -0.454 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.432 8.671 -0.831 1.00 0.18 C ATOM 0 H ALA A 168 -13.354 8.112 1.638 1.00 0.01 H new ATOM 0 HA ALA A 168 -14.915 7.097 -0.630 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.393 8.618 -1.919 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.122 9.460 -0.531 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.438 8.892 -0.442 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.497 5.319 -1.506 1.00 0.01 N ATOM 2670 CA ILE A 169 -12.706 4.192 -2.081 1.00 0.01 C ATOM 2671 C ILE A 169 -13.357 3.846 -3.420 1.00 0.01 C ATOM 2672 O ILE A 169 -14.554 3.642 -3.488 1.00 0.01 O ATOM 2673 CB ILE A 169 -12.756 2.980 -1.132 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -11.937 3.268 0.162 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.181 1.750 -1.850 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -12.848 3.812 1.278 1.00 3.99 C ATOM 0 H ILE A 169 -14.484 5.309 -1.763 1.00 0.01 H new ATOM 0 HA ILE A 169 -11.659 4.465 -2.214 1.00 0.01 H new ATOM 0 HB ILE A 169 -13.792 2.790 -0.851 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -11.448 2.354 0.499 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -11.149 3.990 -0.054 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.215 0.890 -1.181 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.772 1.540 -2.742 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.148 1.946 -2.137 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -12.254 4.005 2.171 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -13.316 4.739 0.946 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -13.620 3.078 1.508 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.600 3.829 -4.498 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.202 3.557 -5.845 1.00 0.01 C ATOM 2690 C GLN A 170 -12.779 2.206 -6.435 1.00 0.02 C ATOM 2691 O GLN A 170 -13.421 1.731 -7.352 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.779 4.668 -6.808 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.297 6.012 -6.293 1.00 3.39 C ATOM 2694 CD GLN A 170 -14.805 6.101 -6.519 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -15.303 5.737 -7.670 1.00 4.83 O flip ATOM 2696 NE2 GLN A 170 -15.541 6.509 -5.641 1.00 5.17 N flip ATOM 0 H GLN A 170 -11.593 3.992 -4.501 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.284 3.527 -5.713 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.693 4.694 -6.896 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -13.175 4.471 -7.804 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.071 6.118 -5.232 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -12.793 6.829 -6.809 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -15.153 6.794 -4.742 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.546 6.567 -5.804 1.00 5.17 H new ATOM 2705 N SER A 171 -11.747 1.546 -5.968 1.00 0.01 N ATOM 2706 CA SER A 171 -11.409 0.229 -6.602 1.00 0.01 C ATOM 2707 C SER A 171 -10.574 -0.617 -5.641 1.00 0.01 C ATOM 2708 O SER A 171 -9.960 -0.111 -4.724 1.00 0.01 O ATOM 2709 CB SER A 171 -10.618 0.464 -7.890 1.00 0.01 C ATOM 2710 OG SER A 171 -9.343 0.997 -7.570 1.00 0.02 O ATOM 0 H SER A 171 -11.142 1.846 -5.203 1.00 0.01 H new ATOM 0 HA SER A 171 -12.334 -0.299 -6.833 1.00 0.01 H new ATOM 0 HB2 SER A 171 -10.506 -0.472 -8.437 1.00 0.01 H new ATOM 0 HB3 SER A 171 -11.158 1.151 -8.541 1.00 0.01 H new ATOM 0 HG SER A 171 -9.332 1.958 -7.763 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.513 -1.908 -5.866 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.678 -2.778 -4.978 1.00 0.01 C ATOM 2718 C PHE A 172 -9.202 -4.019 -5.742 1.00 0.01 C ATOM 2719 O PHE A 172 -9.803 -4.431 -6.716 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.462 -3.190 -3.723 1.00 1.06 C ATOM 2721 CG PHE A 172 -11.868 -3.627 -4.070 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -12.081 -4.847 -4.720 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -12.960 -2.827 -3.711 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.384 -5.264 -5.017 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.263 -3.245 -4.003 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.476 -4.464 -4.656 1.00 1.92 C ATOM 0 H PHE A 172 -11.001 -2.393 -6.619 1.00 0.01 H new ATOM 0 HA PHE A 172 -8.806 -2.206 -4.662 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -9.941 -4.003 -3.217 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.501 -2.353 -3.025 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.240 -5.467 -4.993 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -12.796 -1.886 -3.208 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.548 -6.203 -5.525 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.104 -2.627 -3.725 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.481 -4.788 -4.882 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.107 -4.607 -5.321 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.565 -5.810 -6.037 1.00 0.01 C ATOM 2738 C ARG A 173 -6.966 -6.801 -5.033 1.00 0.01 C ATOM 2739 O ARG A 173 -6.464 -6.429 -3.990 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.448 -5.371 -6.996 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.035 -4.672 -8.224 1.00 0.01 C ATOM 2742 CD ARG A 173 -5.919 -3.934 -8.969 1.00 0.01 C ATOM 2743 NE ARG A 173 -4.682 -4.767 -8.964 1.00 0.01 N ATOM 2744 CZ ARG A 173 -3.704 -4.489 -9.783 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -3.812 -3.488 -10.612 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -2.621 -5.216 -9.774 1.00 0.01 N ATOM 0 H ARG A 173 -7.564 -4.307 -4.512 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.380 -6.284 -6.584 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.763 -4.698 -6.481 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -5.867 -6.239 -7.308 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -7.506 -5.402 -8.882 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -7.811 -3.970 -7.920 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -6.227 -3.727 -9.994 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -5.724 -2.972 -8.494 1.00 0.01 H new ATOM 0 HE ARG A 173 -4.600 -5.554 -8.321 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -4.661 -2.922 -10.621 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -3.048 -3.271 -11.252 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -2.539 -6.001 -9.128 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -1.856 -5.000 -10.413 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.005 -8.065 -5.362 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.429 -9.105 -4.459 1.00 0.01 C ATOM 2762 C ARG A 174 -4.940 -9.273 -4.775 1.00 0.01 C ATOM 2763 O ARG A 174 -4.532 -9.222 -5.918 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.140 -10.442 -4.686 1.00 0.01 C ATOM 2765 CG ARG A 174 -7.070 -10.820 -6.168 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.818 -12.136 -6.394 1.00 0.01 C ATOM 2767 NE ARG A 174 -7.163 -13.221 -5.611 1.00 0.01 N ATOM 2768 CZ ARG A 174 -7.783 -14.354 -5.417 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -8.977 -14.540 -5.911 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -7.208 -15.303 -4.730 1.00 0.01 N ATOM 0 H ARG A 174 -7.414 -8.424 -6.224 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.561 -8.796 -3.422 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.675 -11.220 -4.080 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.180 -10.370 -4.368 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -7.510 -10.030 -6.777 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -6.031 -10.922 -6.480 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -8.859 -12.031 -6.090 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -7.819 -12.388 -7.454 1.00 0.01 H new ATOM 0 HE ARG A 174 -6.229 -13.079 -5.226 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -9.427 -13.800 -6.449 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -9.460 -15.425 -5.759 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -6.275 -15.160 -4.345 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -7.692 -16.188 -4.578 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.122 -9.489 -3.775 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.659 -9.678 -4.039 1.00 0.01 C ATOM 2786 C ILE A 175 -2.359 -11.172 -4.174 1.00 0.00 C ATOM 2787 O ILE A 175 -2.716 -11.960 -3.322 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.817 -9.112 -2.890 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.308 -7.709 -2.521 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.355 -9.035 -3.335 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.363 -7.095 -1.480 1.00 3.04 C ATOM 0 H ILE A 175 -4.399 -9.543 -2.795 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.406 -9.150 -4.958 1.00 0.01 H new ATOM 0 HB ILE A 175 -1.910 -9.762 -2.020 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.346 -7.080 -3.410 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.322 -7.760 -2.123 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.252 -8.633 -2.523 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -0.000 -10.033 -3.594 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.273 -8.384 -4.205 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.711 -6.096 -1.217 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.348 -7.721 -0.588 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.357 -7.031 -1.895 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.707 -11.569 -5.240 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.380 -13.017 -5.438 1.00 0.00 C ATOM 2805 C VAL A 176 0.065 -13.154 -5.922 1.00 0.01 C ATOM 2806 O VAL A 176 0.571 -12.316 -6.642 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.311 -13.615 -6.496 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.965 -15.089 -6.706 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -3.762 -13.494 -6.021 1.00 1.89 C ATOM 0 H VAL A 176 -1.386 -10.950 -5.985 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.507 -13.543 -4.492 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.188 -13.077 -7.436 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.628 -15.515 -7.459 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -0.932 -15.176 -7.041 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -2.088 -15.629 -5.767 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -4.427 -13.919 -6.772 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -3.884 -14.034 -5.082 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -4.009 -12.443 -5.870 1.00 1.89 H new ATOM 2819 N GLU A 177 0.732 -14.206 -5.533 1.00 0.01 N ATOM 2820 CA GLU A 177 2.143 -14.403 -5.966 1.00 0.01 C ATOM 2821 C GLU A 177 2.200 -14.496 -7.491 1.00 0.01 C ATOM 2822 CB GLU A 177 2.688 -15.696 -5.355 1.00 2.15 C ATOM 2823 CG GLU A 177 4.188 -15.803 -5.638 1.00 3.19 C ATOM 2824 CD GLU A 177 4.722 -17.119 -5.070 1.00 4.20 C ATOM 2825 OE1 GLU A 177 4.875 -17.202 -3.863 1.00 4.77 O ATOM 2826 OE2 GLU A 177 4.969 -18.023 -5.852 1.00 4.89 O ATOM 0 H GLU A 177 0.358 -14.940 -4.931 1.00 0.01 H new ATOM 0 HA GLU A 177 2.747 -13.560 -5.631 1.00 0.01 H new ATOM 0 HB2 GLU A 177 2.509 -15.706 -4.280 1.00 2.15 H new ATOM 0 HB3 GLU A 177 2.166 -16.557 -5.774 1.00 2.15 H new ATOM 0 HG2 GLU A 177 4.370 -15.757 -6.712 1.00 3.19 H new ATOM 0 HG3 GLU A 177 4.715 -14.961 -5.189 1.00 3.19 H new