USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 768 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 27 SER OG : rot 110:sc= 0.86 USER MOD Set 1.2: B 29 SER OG : rot 180:sc= 0.0116 USER MOD Set 2.1: A 81 HIS : no HD1:sc= 0.825 K(o=1.3,f=-3.3) USER MOD Set 2.2: A 124 TYR OH : rot 104:sc= 0.456 USER MOD Set 3.1: A 74 CYS SG : rot -55:sc= -0.332 USER MOD Set 3.2: A 78 THR OG1 : rot -32:sc= 1.8 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 1.19 (180deg=0.95) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.815 F(o=-4.1!,f=-0.82) USER MOD Single : A 65 LYS NZ :NH3+ -106:sc= -1.28 (180deg=-3.81!) USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= -0.208 (180deg=-0.82) USER MOD Single : A 76 MET CE :methyl -139:sc= -0.528 (180deg=-3.35!) USER MOD Single : A 77 GLN :FLIP amide:sc= -3.68! C(o=-4.3!,f=-3.7!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0102 F(o=-0.62,f=-0.01) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0503 F(o=-0.71,f=-0.05) USER MOD Single : A 96 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-2.6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 123:sc= 1.2 USER MOD Single : A 107 ASN : amide:sc= 0.724 K(o=0.72,f=-0.018) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -12! C(o=-12!,f=-14!) USER MOD Single : A 131 CYS SG : rot -115:sc= -3.26! USER MOD Single : A 132 THR OG1 : rot 75:sc= 0.728 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS :FLIP no HE2:sc= 0.114 F(o=-0.53,f=0.11) USER MOD Single : A 138 SER OG : rot -32:sc= 1.06 USER MOD Single : B 33 GLN : amide:sc= 0.347 X(o=0.35,f=-0.011) USER MOD Single : B 34 TYR OH : rot 8:sc= 1.27 USER MOD Single : B 36 THR OG1 : rot 180:sc=-0.00741 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -14.802 5.650 -0.829 1.00 0.57 N ATOM 118 CA TYR A 59 -13.539 6.331 -0.615 1.00 0.44 C ATOM 119 C TYR A 59 -12.569 6.025 -1.744 1.00 0.41 C ATOM 120 O TYR A 59 -11.393 6.357 -1.660 1.00 0.42 O ATOM 121 CB TYR A 59 -12.942 5.935 0.741 1.00 0.66 C ATOM 122 CG TYR A 59 -13.750 6.438 1.911 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.993 5.903 2.173 1.00 1.04 C ATOM 124 CD2 TYR A 59 -13.282 7.451 2.733 1.00 1.06 C ATOM 125 CE1 TYR A 59 -15.765 6.354 3.223 1.00 1.27 C ATOM 126 CE2 TYR A 59 -14.041 7.912 3.795 1.00 1.30 C ATOM 127 CZ TYR A 59 -15.284 7.361 4.033 1.00 1.34 C ATOM 128 OH TYR A 59 -16.050 7.820 5.080 1.00 1.64 O ATOM 0 HA TYR A 59 -13.721 7.406 -0.608 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.870 4.849 0.797 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.927 6.326 0.813 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -15.371 5.113 1.542 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -12.312 7.887 2.542 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -16.737 5.922 3.409 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -13.663 8.697 4.433 1.00 1.30 H new ATOM 0 HH TYR A 59 -15.566 8.529 5.553 1.00 1.64 H new ATOM 138 N LYS A 60 -13.093 5.411 -2.806 1.00 0.42 N ATOM 139 CA LYS A 60 -12.287 4.979 -3.949 1.00 0.43 C ATOM 140 C LYS A 60 -11.414 6.113 -4.483 1.00 0.40 C ATOM 141 O LYS A 60 -10.193 5.990 -4.532 1.00 0.41 O ATOM 142 CB LYS A 60 -13.201 4.450 -5.059 1.00 0.52 C ATOM 143 CG LYS A 60 -12.469 4.039 -6.327 1.00 1.16 C ATOM 144 CD LYS A 60 -13.425 3.435 -7.347 1.00 1.35 C ATOM 145 CE LYS A 60 -12.733 3.158 -8.670 1.00 1.75 C ATOM 146 NZ LYS A 60 -12.329 4.411 -9.359 1.00 2.29 N ATOM 0 H LYS A 60 -14.087 5.199 -2.898 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.624 4.182 -3.611 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -13.756 3.592 -4.679 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.933 5.218 -5.308 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -11.973 4.907 -6.760 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -11.691 3.316 -6.082 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -13.840 2.508 -6.952 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -14.261 4.115 -7.509 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -11.852 2.540 -8.496 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -13.401 2.588 -9.316 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -12.001 4.188 -10.320 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -13.143 5.056 -9.412 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -11.560 4.867 -8.828 1.00 2.29 H new ATOM 160 N LEU A 61 -12.049 7.218 -4.864 1.00 0.45 N ATOM 161 CA LEU A 61 -11.340 8.380 -5.396 1.00 0.49 C ATOM 162 C LEU A 61 -10.213 8.816 -4.465 1.00 0.38 C ATOM 163 O LEU A 61 -9.113 9.148 -4.912 1.00 0.41 O ATOM 164 CB LEU A 61 -12.305 9.554 -5.610 1.00 0.62 C ATOM 165 CG LEU A 61 -13.056 10.043 -4.363 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.459 11.501 -4.529 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.292 9.194 -4.093 1.00 0.81 C ATOM 0 H LEU A 61 -13.061 7.334 -4.814 1.00 0.45 H new ATOM 0 HA LEU A 61 -10.910 8.087 -6.354 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -11.742 10.391 -6.022 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -13.039 9.263 -6.361 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.383 9.949 -3.511 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -13.991 11.835 -3.638 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.567 12.111 -4.670 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -14.109 11.602 -5.398 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.802 9.566 -3.204 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -14.966 9.250 -4.948 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -13.994 8.158 -3.934 1.00 0.81 H new ATOM 179 N GLU A 62 -10.500 8.805 -3.172 1.00 0.33 N ATOM 180 CA GLU A 62 -9.534 9.179 -2.159 1.00 0.30 C ATOM 181 C GLU A 62 -8.268 8.353 -2.247 1.00 0.26 C ATOM 182 O GLU A 62 -7.187 8.901 -2.416 1.00 0.32 O ATOM 183 CB GLU A 62 -10.164 9.022 -0.780 1.00 0.41 C ATOM 184 CG GLU A 62 -11.032 10.192 -0.405 1.00 0.50 C ATOM 185 CD GLU A 62 -11.720 10.006 0.925 1.00 1.29 C ATOM 186 OE1 GLU A 62 -11.022 9.982 1.960 1.00 1.51 O ATOM 187 OE2 GLU A 62 -12.963 9.869 0.941 1.00 2.00 O ATOM 0 H GLU A 62 -11.410 8.536 -2.799 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.254 10.219 -2.328 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.761 8.110 -0.759 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.376 8.905 -0.036 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -10.422 11.095 -0.371 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.784 10.344 -1.180 1.00 0.50 H new ATOM 194 N ASN A 63 -8.408 7.041 -2.193 1.00 0.24 N ATOM 195 CA ASN A 63 -7.239 6.164 -2.133 1.00 0.23 C ATOM 196 C ASN A 63 -6.530 6.087 -3.476 1.00 0.21 C ATOM 197 O ASN A 63 -5.361 5.722 -3.535 1.00 0.22 O ATOM 198 CB ASN A 63 -7.596 4.761 -1.639 1.00 0.33 C ATOM 199 CG ASN A 63 -8.718 4.106 -2.402 1.00 1.10 C ATOM 200 OD1 ASN A 63 -9.906 4.195 -1.844 1.00 2.24 O flip ATOM 201 ND2 ASN A 63 -8.515 3.500 -3.453 1.00 0.90 N flip ATOM 0 H ASN A 63 -9.306 6.557 -2.189 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.556 6.608 -1.408 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -6.710 4.129 -1.703 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -7.872 4.818 -0.586 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -7.574 3.460 -3.845 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -9.287 3.037 -3.932 1.00 0.90 H new ATOM 208 N GLU A 64 -7.223 6.442 -4.547 1.00 0.23 N ATOM 209 CA GLU A 64 -6.599 6.513 -5.853 1.00 0.29 C ATOM 210 C GLU A 64 -5.548 7.610 -5.881 1.00 0.29 C ATOM 211 O GLU A 64 -4.394 7.377 -6.247 1.00 0.35 O ATOM 212 CB GLU A 64 -7.644 6.782 -6.927 1.00 0.38 C ATOM 213 CG GLU A 64 -8.603 5.635 -7.150 1.00 0.41 C ATOM 214 CD GLU A 64 -9.273 5.718 -8.502 1.00 0.56 C ATOM 215 OE1 GLU A 64 -8.628 5.375 -9.514 1.00 0.88 O ATOM 216 OE2 GLU A 64 -10.459 6.108 -8.561 1.00 0.69 O ATOM 0 H GLU A 64 -8.214 6.684 -4.535 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.119 5.555 -6.053 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.213 7.670 -6.652 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.137 7.006 -7.865 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.065 4.690 -7.068 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.362 5.638 -6.368 1.00 0.41 H new ATOM 223 N LYS A 65 -5.954 8.804 -5.481 1.00 0.27 N ATOM 224 CA LYS A 65 -5.056 9.945 -5.467 1.00 0.30 C ATOM 225 C LYS A 65 -4.091 9.824 -4.303 1.00 0.23 C ATOM 226 O LYS A 65 -2.953 10.273 -4.368 1.00 0.30 O ATOM 227 CB LYS A 65 -5.851 11.232 -5.358 1.00 0.39 C ATOM 228 CG LYS A 65 -7.036 11.279 -6.291 1.00 0.65 C ATOM 229 CD LYS A 65 -7.799 12.595 -6.204 1.00 1.23 C ATOM 230 CE LYS A 65 -8.531 12.762 -4.877 1.00 2.14 C ATOM 231 NZ LYS A 65 -7.619 13.150 -3.767 1.00 2.98 N ATOM 0 H LYS A 65 -6.901 9.007 -5.161 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.488 9.964 -6.397 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.200 11.350 -4.332 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -5.195 12.076 -5.571 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.694 11.129 -7.315 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.711 10.456 -6.057 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -7.103 13.423 -6.338 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -8.519 12.648 -7.021 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -9.307 13.520 -4.987 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -9.031 11.828 -4.622 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -7.467 12.334 -3.141 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -6.707 13.460 -4.159 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -8.045 13.928 -3.224 1.00 2.98 H new ATOM 245 N LEU A 66 -4.577 9.211 -3.243 1.00 0.16 N ATOM 246 CA LEU A 66 -3.798 8.973 -2.039 1.00 0.15 C ATOM 247 C LEU A 66 -2.628 8.031 -2.280 1.00 0.15 C ATOM 248 O LEU A 66 -1.488 8.341 -1.934 1.00 0.18 O ATOM 249 CB LEU A 66 -4.717 8.369 -0.993 1.00 0.15 C ATOM 250 CG LEU A 66 -4.861 9.184 0.266 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.109 8.772 1.027 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.615 9.013 1.105 1.00 0.22 C ATOM 0 H LEU A 66 -5.533 8.859 -3.190 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.383 9.925 -1.707 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.704 8.229 -1.434 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.343 7.380 -0.728 1.00 0.15 H new ATOM 0 HG LEU A 66 -4.973 10.239 0.015 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.197 9.371 1.933 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -6.986 8.931 0.400 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.041 7.717 1.294 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.709 9.599 2.019 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.490 7.961 1.360 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.747 9.356 0.542 1.00 0.22 H new ATOM 264 N PHE A 67 -2.929 6.865 -2.830 1.00 0.14 N ATOM 265 CA PHE A 67 -1.922 5.855 -3.109 1.00 0.15 C ATOM 266 C PHE A 67 -0.745 6.442 -3.881 1.00 0.17 C ATOM 267 O PHE A 67 0.414 6.155 -3.580 1.00 0.20 O ATOM 268 CB PHE A 67 -2.546 4.707 -3.899 1.00 0.15 C ATOM 269 CG PHE A 67 -1.841 3.411 -3.699 1.00 0.16 C ATOM 270 CD1 PHE A 67 -2.205 2.592 -2.652 1.00 0.17 C ATOM 271 CD2 PHE A 67 -0.821 3.013 -4.541 1.00 0.17 C ATOM 272 CE1 PHE A 67 -1.570 1.392 -2.446 1.00 0.18 C ATOM 273 CE2 PHE A 67 -0.179 1.811 -4.342 1.00 0.19 C ATOM 274 CZ PHE A 67 -0.552 0.998 -3.290 1.00 0.19 C ATOM 0 H PHE A 67 -3.876 6.593 -3.095 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.545 5.480 -2.158 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.589 4.596 -3.604 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.539 4.958 -4.960 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -2.999 2.897 -1.986 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -0.525 3.649 -5.362 1.00 0.17 H new ATOM 0 HE1 PHE A 67 -1.867 0.757 -1.624 1.00 0.18 H new ATOM 0 HE2 PHE A 67 0.615 1.505 -5.007 1.00 0.19 H new ATOM 0 HZ PHE A 67 -0.048 0.056 -3.128 1.00 0.19 H new ATOM 284 N GLU A 68 -1.040 7.282 -4.862 1.00 0.18 N ATOM 285 CA GLU A 68 0.004 7.886 -5.665 1.00 0.23 C ATOM 286 C GLU A 68 0.746 8.987 -4.913 1.00 0.19 C ATOM 287 O GLU A 68 1.892 9.272 -5.243 1.00 0.24 O ATOM 288 CB GLU A 68 -0.537 8.388 -7.000 1.00 0.40 C ATOM 289 CG GLU A 68 -1.744 9.282 -6.889 1.00 0.54 C ATOM 290 CD GLU A 68 -2.207 9.786 -8.236 1.00 1.13 C ATOM 291 OE1 GLU A 68 -2.682 8.968 -9.051 1.00 1.39 O ATOM 292 OE2 GLU A 68 -2.118 11.008 -8.480 1.00 1.81 O ATOM 0 H GLU A 68 -1.988 7.557 -5.117 1.00 0.18 H new ATOM 0 HA GLU A 68 0.732 7.103 -5.877 1.00 0.23 H new ATOM 0 HB2 GLU A 68 0.254 8.930 -7.517 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -0.793 7.529 -7.620 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.556 8.736 -6.409 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.508 10.131 -6.247 1.00 0.54 H new ATOM 299 N GLU A 69 0.121 9.594 -3.894 1.00 0.19 N ATOM 300 CA GLU A 69 0.831 10.571 -3.065 1.00 0.22 C ATOM 301 C GLU A 69 2.061 9.901 -2.468 1.00 0.20 C ATOM 302 O GLU A 69 3.157 10.464 -2.421 1.00 0.28 O ATOM 303 CB GLU A 69 -0.044 11.102 -1.925 1.00 0.26 C ATOM 304 CG GLU A 69 -1.348 11.716 -2.382 1.00 0.34 C ATOM 305 CD GLU A 69 -2.089 12.423 -1.265 1.00 1.02 C ATOM 306 OE1 GLU A 69 -1.658 13.518 -0.852 1.00 1.31 O ATOM 307 OE2 GLU A 69 -3.112 11.881 -0.795 1.00 1.78 O ATOM 0 H GLU A 69 -0.851 9.430 -3.630 1.00 0.19 H new ATOM 0 HA GLU A 69 1.106 11.415 -3.698 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.261 10.285 -1.237 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.520 11.848 -1.366 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.148 12.426 -3.185 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -1.986 10.936 -2.797 1.00 0.34 H new ATOM 314 N PHE A 70 1.842 8.671 -2.032 1.00 0.15 N ATOM 315 CA PHE A 70 2.881 7.828 -1.474 1.00 0.13 C ATOM 316 C PHE A 70 3.891 7.445 -2.550 1.00 0.13 C ATOM 317 O PHE A 70 5.095 7.481 -2.320 1.00 0.14 O ATOM 318 CB PHE A 70 2.218 6.586 -0.883 1.00 0.12 C ATOM 319 CG PHE A 70 3.104 5.753 -0.012 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.248 5.185 -0.519 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.764 5.506 1.303 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.045 4.381 0.260 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.559 4.708 2.098 1.00 0.11 C ATOM 324 CZ PHE A 70 4.701 4.141 1.575 1.00 0.11 C ATOM 0 H PHE A 70 0.924 8.226 -2.057 1.00 0.15 H new ATOM 0 HA PHE A 70 3.422 8.363 -0.694 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.350 6.897 -0.302 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.849 5.966 -1.700 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.525 5.373 -1.546 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.866 5.943 1.713 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.938 3.938 -0.156 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.288 4.528 3.128 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.325 3.511 2.192 1.00 0.11 H new ATOM 334 N LEU A 71 3.396 7.096 -3.724 1.00 0.14 N ATOM 335 CA LEU A 71 4.240 6.645 -4.816 1.00 0.15 C ATOM 336 C LEU A 71 5.143 7.735 -5.338 1.00 0.16 C ATOM 337 O LEU A 71 6.303 7.492 -5.658 1.00 0.18 O ATOM 338 CB LEU A 71 3.360 6.146 -5.929 1.00 0.17 C ATOM 339 CG LEU A 71 2.687 4.831 -5.610 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.861 4.390 -6.783 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.740 3.797 -5.253 1.00 0.16 C ATOM 0 H LEU A 71 2.401 7.117 -3.947 1.00 0.14 H new ATOM 0 HA LEU A 71 4.883 5.850 -4.438 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.597 6.894 -6.144 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.958 6.031 -6.833 1.00 0.17 H new ATOM 0 HG LEU A 71 2.022 4.949 -4.754 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.377 3.442 -6.551 1.00 0.22 H new ATOM 0 HD12 LEU A 71 1.102 5.142 -6.997 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.504 4.265 -7.654 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.255 2.848 -5.023 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.418 3.663 -6.096 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.304 4.137 -4.384 1.00 0.16 H new ATOM 353 N GLU A 72 4.606 8.924 -5.436 1.00 0.16 N ATOM 354 CA GLU A 72 5.365 10.049 -5.926 1.00 0.19 C ATOM 355 C GLU A 72 6.446 10.429 -4.931 1.00 0.18 C ATOM 356 O GLU A 72 7.517 10.900 -5.306 1.00 0.21 O ATOM 357 CB GLU A 72 4.425 11.183 -6.273 1.00 0.24 C ATOM 358 CG GLU A 72 3.440 10.731 -7.335 1.00 0.29 C ATOM 359 CD GLU A 72 2.489 11.813 -7.785 1.00 0.73 C ATOM 360 OE1 GLU A 72 1.788 12.377 -6.919 1.00 1.21 O ATOM 361 OE2 GLU A 72 2.440 12.115 -8.993 1.00 1.17 O ATOM 0 H GLU A 72 3.642 9.140 -5.182 1.00 0.16 H new ATOM 0 HA GLU A 72 5.887 9.785 -6.846 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.888 11.508 -5.382 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.993 12.041 -6.633 1.00 0.24 H new ATOM 0 HG2 GLU A 72 3.995 10.365 -8.199 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.863 9.891 -6.948 1.00 0.29 H new ATOM 368 N LEU A 73 6.160 10.193 -3.662 1.00 0.16 N ATOM 369 CA LEU A 73 7.170 10.241 -2.628 1.00 0.16 C ATOM 370 C LEU A 73 8.145 9.079 -2.810 1.00 0.15 C ATOM 371 O LEU A 73 9.361 9.256 -2.740 1.00 0.18 O ATOM 372 CB LEU A 73 6.490 10.146 -1.269 1.00 0.16 C ATOM 373 CG LEU A 73 7.395 9.753 -0.112 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.906 10.976 0.627 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.646 8.820 0.814 1.00 0.16 C ATOM 0 H LEU A 73 5.225 9.964 -3.324 1.00 0.16 H new ATOM 0 HA LEU A 73 7.724 11.177 -2.692 1.00 0.16 H new ATOM 0 HB2 LEU A 73 6.036 11.110 -1.041 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.680 9.420 -1.337 1.00 0.16 H new ATOM 0 HG LEU A 73 8.269 9.234 -0.504 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.550 10.662 1.448 1.00 0.23 H new ATOM 0 HD12 LEU A 73 8.473 11.605 -0.059 1.00 0.23 H new ATOM 0 HD13 LEU A 73 7.062 11.541 1.023 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.292 8.536 1.645 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.760 9.324 1.199 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.346 7.927 0.266 1.00 0.16 H new ATOM 387 N CYS A 74 7.595 7.895 -3.071 1.00 0.13 N ATOM 388 CA CYS A 74 8.380 6.682 -3.201 1.00 0.13 C ATOM 389 C CYS A 74 9.393 6.806 -4.341 1.00 0.15 C ATOM 390 O CYS A 74 10.514 6.325 -4.227 1.00 0.18 O ATOM 391 CB CYS A 74 7.443 5.495 -3.430 1.00 0.16 C ATOM 392 SG CYS A 74 8.191 3.888 -3.113 1.00 0.50 S ATOM 0 H CYS A 74 6.592 7.756 -3.197 1.00 0.13 H new ATOM 0 HA CYS A 74 8.942 6.521 -2.281 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.569 5.608 -2.789 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.088 5.521 -4.460 1.00 0.16 H new ATOM 0 HG CYS A 74 9.271 3.764 -3.826 1.00 0.50 H new ATOM 398 N LYS A 75 8.998 7.474 -5.426 1.00 0.18 N ATOM 399 CA LYS A 75 9.881 7.718 -6.559 1.00 0.22 C ATOM 400 C LYS A 75 11.164 8.439 -6.156 1.00 0.22 C ATOM 401 O LYS A 75 12.194 8.293 -6.809 1.00 0.26 O ATOM 402 CB LYS A 75 9.172 8.538 -7.617 1.00 0.28 C ATOM 403 CG LYS A 75 8.802 7.694 -8.805 1.00 0.57 C ATOM 404 CD LYS A 75 7.463 7.023 -8.627 1.00 0.61 C ATOM 405 CE LYS A 75 6.309 7.966 -8.943 1.00 0.38 C ATOM 406 NZ LYS A 75 6.383 8.511 -10.326 1.00 0.96 N ATOM 0 H LYS A 75 8.060 7.858 -5.540 1.00 0.18 H new ATOM 0 HA LYS A 75 10.151 6.739 -6.956 1.00 0.22 H new ATOM 0 HB2 LYS A 75 8.273 8.985 -7.192 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.815 9.358 -7.937 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.779 8.317 -9.699 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.569 6.936 -8.964 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.406 6.149 -9.276 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.369 6.666 -7.602 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.365 7.436 -8.814 1.00 0.38 H new ATOM 0 HE3 LYS A 75 6.312 8.790 -8.230 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 5.435 8.810 -10.632 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 7.026 9.328 -10.343 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 6.739 7.776 -10.970 1.00 0.96 H new ATOM 420 N MET A 76 11.101 9.212 -5.082 1.00 0.22 N ATOM 421 CA MET A 76 12.236 10.019 -4.664 1.00 0.26 C ATOM 422 C MET A 76 13.101 9.210 -3.722 1.00 0.25 C ATOM 423 O MET A 76 14.323 9.352 -3.679 1.00 0.32 O ATOM 424 CB MET A 76 11.772 11.290 -3.940 1.00 0.29 C ATOM 425 CG MET A 76 10.510 11.915 -4.503 1.00 0.27 C ATOM 426 SD MET A 76 10.076 13.465 -3.686 1.00 0.32 S ATOM 427 CE MET A 76 9.873 12.913 -1.994 1.00 0.35 C ATOM 0 H MET A 76 10.278 9.297 -4.486 1.00 0.22 H new ATOM 0 HA MET A 76 12.799 10.307 -5.552 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.606 11.053 -2.889 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.574 12.027 -3.978 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.644 12.096 -5.569 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.684 11.211 -4.400 1.00 0.27 H new ATOM 0 HE1 MET A 76 9.006 13.405 -1.552 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.725 11.833 -1.979 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.765 13.165 -1.420 1.00 0.35 H new ATOM 437 N GLN A 77 12.435 8.352 -2.978 1.00 0.21 N ATOM 438 CA GLN A 77 13.061 7.568 -1.936 1.00 0.22 C ATOM 439 C GLN A 77 13.660 6.294 -2.510 1.00 0.21 C ATOM 440 O GLN A 77 14.854 6.026 -2.365 1.00 0.24 O ATOM 441 CB GLN A 77 12.008 7.199 -0.902 1.00 0.23 C ATOM 442 CG GLN A 77 11.123 8.353 -0.455 1.00 0.30 C ATOM 443 CD GLN A 77 11.793 9.302 0.508 1.00 0.52 C ATOM 444 OE1 GLN A 77 10.987 9.913 1.357 1.00 0.98 O flip ATOM 445 NE2 GLN A 77 13.010 9.483 0.490 1.00 0.48 N flip ATOM 0 H GLN A 77 11.435 8.178 -3.081 1.00 0.21 H new ATOM 0 HA GLN A 77 13.858 8.155 -1.480 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.375 6.412 -1.313 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.508 6.782 -0.027 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.800 8.911 -1.334 1.00 0.30 H new ATOM 0 HG3 GLN A 77 10.226 7.949 0.014 1.00 0.30 H new ATOM 0 HE21 GLN A 77 13.590 8.986 -0.186 1.00 0.48 H new ATOM 0 HE22 GLN A 77 13.439 10.130 1.152 1.00 0.48 H new ATOM 454 N THR A 78 12.815 5.518 -3.172 1.00 0.18 N ATOM 455 CA THR A 78 13.214 4.252 -3.749 1.00 0.20 C ATOM 456 C THR A 78 13.797 4.471 -5.137 1.00 0.22 C ATOM 457 O THR A 78 13.587 3.689 -6.055 1.00 0.24 O ATOM 458 CB THR A 78 12.019 3.281 -3.819 1.00 0.20 C ATOM 459 OG1 THR A 78 11.016 3.771 -4.721 1.00 0.56 O ATOM 460 CG2 THR A 78 11.406 3.105 -2.443 1.00 0.42 C ATOM 0 H THR A 78 11.834 5.752 -3.322 1.00 0.18 H new ATOM 0 HA THR A 78 13.977 3.808 -3.110 1.00 0.20 H new ATOM 0 HB THR A 78 12.387 2.321 -4.183 1.00 0.20 H new ATOM 0 HG1 THR A 78 11.017 4.751 -4.710 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.563 2.417 -2.506 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.154 2.701 -1.760 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.060 4.070 -2.073 1.00 0.42 H new ATOM 468 N ALA A 79 14.542 5.550 -5.272 1.00 0.25 N ATOM 469 CA ALA A 79 15.165 5.901 -6.533 1.00 0.30 C ATOM 470 C ALA A 79 16.292 4.925 -6.863 1.00 0.34 C ATOM 471 O ALA A 79 16.716 4.803 -8.011 1.00 0.42 O ATOM 472 CB ALA A 79 15.670 7.325 -6.456 1.00 0.32 C ATOM 0 H ALA A 79 14.732 6.206 -4.514 1.00 0.25 H new ATOM 0 HA ALA A 79 14.432 5.833 -7.337 1.00 0.30 H new ATOM 0 HB1 ALA A 79 16.140 7.596 -7.401 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.835 7.997 -6.260 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.400 7.409 -5.651 1.00 0.32 H new ATOM 478 N ASP A 80 16.772 4.238 -5.836 1.00 0.35 N ATOM 479 CA ASP A 80 17.770 3.182 -6.003 1.00 0.44 C ATOM 480 C ASP A 80 17.096 1.813 -6.033 1.00 0.38 C ATOM 481 O ASP A 80 17.743 0.789 -6.250 1.00 0.44 O ATOM 482 CB ASP A 80 18.789 3.222 -4.865 1.00 0.59 C ATOM 483 CG ASP A 80 19.557 4.527 -4.804 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.572 4.655 -5.512 1.00 1.68 O ATOM 485 OD2 ASP A 80 19.140 5.436 -4.056 1.00 2.29 O ATOM 0 H ASP A 80 16.486 4.392 -4.869 1.00 0.35 H new ATOM 0 HA ASP A 80 18.285 3.350 -6.949 1.00 0.44 H new ATOM 0 HB2 ASP A 80 18.274 3.065 -3.917 1.00 0.59 H new ATOM 0 HB3 ASP A 80 19.492 2.398 -4.985 1.00 0.59 H new ATOM 490 N HIS A 81 15.792 1.814 -5.797 1.00 0.35 N ATOM 491 CA HIS A 81 14.991 0.598 -5.744 1.00 0.39 C ATOM 492 C HIS A 81 13.661 0.827 -6.458 1.00 0.34 C ATOM 493 O HIS A 81 12.601 0.800 -5.833 1.00 0.30 O ATOM 494 CB HIS A 81 14.740 0.209 -4.283 1.00 0.49 C ATOM 495 CG HIS A 81 15.994 -0.012 -3.499 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.414 0.813 -2.477 1.00 2.02 N ATOM 497 CD2 HIS A 81 16.923 -0.976 -3.600 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.552 0.353 -1.987 1.00 2.11 C ATOM 499 NE2 HIS A 81 17.881 -0.737 -2.650 1.00 1.12 N ATOM 0 H HIS A 81 15.255 2.666 -5.635 1.00 0.35 H new ATOM 0 HA HIS A 81 15.528 -0.210 -6.241 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.154 0.993 -3.802 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.139 -0.700 -4.256 1.00 0.49 H new ATOM 0 HD2 HIS A 81 16.916 -1.794 -4.305 1.00 0.60 H new ATOM 0 HE1 HIS A 81 18.117 0.796 -1.180 1.00 2.11 H new ATOM 0 HE2 HIS A 81 18.710 -1.307 -2.484 1.00 1.12 H new ATOM 508 N PRO A 82 13.703 1.049 -7.781 1.00 0.39 N ATOM 509 CA PRO A 82 12.540 1.497 -8.557 1.00 0.39 C ATOM 510 C PRO A 82 11.486 0.416 -8.789 1.00 0.35 C ATOM 511 O PRO A 82 10.622 0.565 -9.652 1.00 0.39 O ATOM 512 CB PRO A 82 13.167 1.916 -9.882 1.00 0.50 C ATOM 513 CG PRO A 82 14.352 1.039 -10.023 1.00 0.53 C ATOM 514 CD PRO A 82 14.891 0.875 -8.637 1.00 0.48 C ATOM 0 HA PRO A 82 11.994 2.282 -8.033 1.00 0.39 H new ATOM 0 HB2 PRO A 82 12.472 1.781 -10.711 1.00 0.50 H new ATOM 0 HB3 PRO A 82 13.451 2.968 -9.872 1.00 0.50 H new ATOM 0 HG2 PRO A 82 14.079 0.076 -10.455 1.00 0.53 H new ATOM 0 HG3 PRO A 82 15.095 1.486 -10.683 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.346 -0.106 -8.497 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.658 1.617 -8.414 1.00 0.48 H new ATOM 522 N GLU A 83 11.555 -0.669 -8.033 1.00 0.29 N ATOM 523 CA GLU A 83 10.573 -1.736 -8.148 1.00 0.26 C ATOM 524 C GLU A 83 9.394 -1.485 -7.216 1.00 0.19 C ATOM 525 O GLU A 83 8.281 -1.934 -7.477 1.00 0.22 O ATOM 526 CB GLU A 83 11.193 -3.101 -7.836 1.00 0.33 C ATOM 527 CG GLU A 83 12.345 -3.473 -8.750 1.00 0.49 C ATOM 528 CD GLU A 83 13.694 -3.014 -8.227 1.00 1.32 C ATOM 529 OE1 GLU A 83 13.715 -2.166 -7.312 1.00 2.05 O ATOM 530 OE2 GLU A 83 14.732 -3.479 -8.741 1.00 1.72 O ATOM 0 H GLU A 83 12.280 -0.834 -7.334 1.00 0.29 H new ATOM 0 HA GLU A 83 10.220 -1.744 -9.179 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.545 -3.103 -6.804 1.00 0.33 H new ATOM 0 HB3 GLU A 83 10.420 -3.866 -7.911 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.362 -4.555 -8.881 1.00 0.49 H new ATOM 0 HG3 GLU A 83 12.176 -3.036 -9.734 1.00 0.49 H new ATOM 537 N VAL A 84 9.654 -0.756 -6.135 1.00 0.15 N ATOM 538 CA VAL A 84 8.658 -0.493 -5.098 1.00 0.11 C ATOM 539 C VAL A 84 7.383 0.141 -5.650 1.00 0.11 C ATOM 540 O VAL A 84 6.282 -0.365 -5.442 1.00 0.13 O ATOM 541 CB VAL A 84 9.222 0.472 -4.056 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.273 0.573 -2.895 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.604 0.051 -3.606 1.00 0.14 C ATOM 0 H VAL A 84 10.562 -0.330 -5.952 1.00 0.15 H new ATOM 0 HA VAL A 84 8.417 -1.463 -4.663 1.00 0.11 H new ATOM 0 HB VAL A 84 9.324 1.458 -4.510 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.677 1.262 -2.153 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.309 0.941 -3.244 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.144 -0.411 -2.444 1.00 0.13 H new ATOM 0 HG21 VAL A 84 10.977 0.758 -2.865 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.555 -0.945 -3.165 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.277 0.036 -4.463 1.00 0.14 H new ATOM 553 N VAL A 85 7.549 1.267 -6.326 1.00 0.11 N ATOM 554 CA VAL A 85 6.423 2.020 -6.884 1.00 0.13 C ATOM 555 C VAL A 85 5.569 1.146 -7.810 1.00 0.15 C ATOM 556 O VAL A 85 4.366 1.012 -7.586 1.00 0.16 O ATOM 557 CB VAL A 85 6.916 3.277 -7.628 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.756 4.164 -8.044 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.893 4.046 -6.761 1.00 0.15 C ATOM 0 H VAL A 85 8.461 1.688 -6.506 1.00 0.11 H new ATOM 0 HA VAL A 85 5.796 2.337 -6.051 1.00 0.13 H new ATOM 0 HB VAL A 85 7.427 2.956 -8.536 1.00 0.15 H new ATOM 0 HG11 VAL A 85 6.138 5.041 -8.566 1.00 0.18 H new ATOM 0 HG12 VAL A 85 5.092 3.608 -8.706 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.204 4.480 -7.159 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.235 4.932 -7.296 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.400 4.348 -5.837 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.748 3.412 -6.526 1.00 0.15 H new ATOM 569 N PRO A 86 6.166 0.530 -8.857 1.00 0.17 N ATOM 570 CA PRO A 86 5.443 -0.410 -9.728 1.00 0.20 C ATOM 571 C PRO A 86 4.833 -1.577 -8.949 1.00 0.18 C ATOM 572 O PRO A 86 3.763 -2.072 -9.301 1.00 0.20 O ATOM 573 CB PRO A 86 6.522 -0.923 -10.684 1.00 0.23 C ATOM 574 CG PRO A 86 7.568 0.134 -10.685 1.00 0.22 C ATOM 575 CD PRO A 86 7.564 0.714 -9.301 1.00 0.17 C ATOM 0 HA PRO A 86 4.604 0.073 -10.229 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.926 -1.878 -10.348 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.120 -1.082 -11.685 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.545 -0.282 -10.932 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.350 0.899 -11.430 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.265 0.196 -8.646 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.849 1.766 -9.305 1.00 0.17 H new ATOM 583 N PHE A 87 5.525 -2.013 -7.898 1.00 0.16 N ATOM 584 CA PHE A 87 5.028 -3.074 -7.027 1.00 0.15 C ATOM 585 C PHE A 87 3.723 -2.631 -6.371 1.00 0.14 C ATOM 586 O PHE A 87 2.700 -3.313 -6.483 1.00 0.16 O ATOM 587 CB PHE A 87 6.082 -3.404 -5.959 1.00 0.17 C ATOM 588 CG PHE A 87 5.770 -4.578 -5.064 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.490 -5.095 -4.960 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.777 -5.152 -4.313 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.220 -6.157 -4.127 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.514 -6.216 -3.479 1.00 0.25 C ATOM 593 CZ PHE A 87 5.235 -6.718 -3.386 1.00 0.38 C ATOM 0 H PHE A 87 6.437 -1.644 -7.629 1.00 0.16 H new ATOM 0 HA PHE A 87 4.836 -3.970 -7.617 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.031 -3.596 -6.460 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.225 -2.523 -5.333 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.691 -4.658 -5.541 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.782 -4.762 -4.380 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.216 -6.548 -4.055 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.311 -6.657 -2.898 1.00 0.25 H new ATOM 0 HZ PHE A 87 5.028 -7.552 -2.732 1.00 0.38 H new ATOM 603 N LEU A 88 3.768 -1.488 -5.698 1.00 0.12 N ATOM 604 CA LEU A 88 2.596 -0.943 -5.035 1.00 0.13 C ATOM 605 C LEU A 88 1.442 -0.806 -6.014 1.00 0.14 C ATOM 606 O LEU A 88 0.303 -1.160 -5.699 1.00 0.16 O ATOM 607 CB LEU A 88 2.927 0.407 -4.408 1.00 0.13 C ATOM 608 CG LEU A 88 3.850 0.347 -3.198 1.00 0.12 C ATOM 609 CD1 LEU A 88 4.046 1.736 -2.621 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.274 -0.594 -2.153 1.00 0.20 C ATOM 0 H LEU A 88 4.609 -0.920 -5.598 1.00 0.12 H new ATOM 0 HA LEU A 88 2.293 -1.631 -4.245 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.388 1.039 -5.167 1.00 0.13 H new ATOM 0 HB3 LEU A 88 1.996 0.891 -4.112 1.00 0.13 H new ATOM 0 HG LEU A 88 4.822 -0.035 -3.509 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.708 1.681 -1.756 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.489 2.385 -3.376 1.00 0.16 H new ATOM 0 HD13 LEU A 88 3.082 2.142 -2.315 1.00 0.16 H new ATOM 0 HD21 LEU A 88 3.940 -0.632 -1.291 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.294 -0.234 -1.839 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.174 -1.593 -2.578 1.00 0.20 H new ATOM 622 N TYR A 89 1.750 -0.315 -7.208 1.00 0.16 N ATOM 623 CA TYR A 89 0.757 -0.229 -8.275 1.00 0.20 C ATOM 624 C TYR A 89 0.152 -1.602 -8.553 1.00 0.21 C ATOM 625 O TYR A 89 -1.064 -1.782 -8.533 1.00 0.25 O ATOM 626 CB TYR A 89 1.384 0.273 -9.579 1.00 0.22 C ATOM 627 CG TYR A 89 1.416 1.769 -9.767 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.254 2.480 -10.034 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.616 2.464 -9.722 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.287 3.846 -10.241 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.659 3.827 -9.936 1.00 0.37 C ATOM 632 CZ TYR A 89 1.493 4.513 -10.193 1.00 0.43 C ATOM 633 OH TYR A 89 1.535 5.871 -10.417 1.00 0.54 O ATOM 0 H TYR A 89 2.676 0.029 -7.463 1.00 0.16 H new ATOM 0 HA TYR A 89 -0.010 0.469 -7.940 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.406 -0.102 -9.635 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.838 -0.166 -10.414 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.690 1.958 -10.081 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.532 1.930 -9.516 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.626 4.388 -10.439 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.602 4.352 -9.902 1.00 0.37 H new ATOM 0 HH TYR A 89 2.460 6.186 -10.346 1.00 0.54 H new ATOM 643 N ASN A 90 1.034 -2.572 -8.763 1.00 0.19 N ATOM 644 CA ASN A 90 0.651 -3.909 -9.203 1.00 0.23 C ATOM 645 C ASN A 90 -0.207 -4.610 -8.161 1.00 0.22 C ATOM 646 O ASN A 90 -1.225 -5.224 -8.490 1.00 0.27 O ATOM 647 CB ASN A 90 1.904 -4.739 -9.474 1.00 0.27 C ATOM 648 CG ASN A 90 1.695 -5.847 -10.491 1.00 0.48 C ATOM 649 OD1 ASN A 90 0.487 -6.375 -10.570 1.00 1.33 O flip ATOM 650 ND2 ASN A 90 2.621 -6.227 -11.209 1.00 0.67 N flip ATOM 0 H ASN A 90 2.039 -2.453 -8.633 1.00 0.19 H new ATOM 0 HA ASN A 90 0.065 -3.810 -10.117 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.697 -4.079 -9.827 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.248 -5.178 -8.537 1.00 0.27 H new ATOM 0 HD21 ASN A 90 3.542 -5.798 -11.123 1.00 0.67 H new ATOM 0 HD22 ASN A 90 2.466 -6.971 -11.890 1.00 0.67 H new ATOM 657 N ARG A 91 0.209 -4.520 -6.907 1.00 0.19 N ATOM 658 CA ARG A 91 -0.503 -5.175 -5.823 1.00 0.20 C ATOM 659 C ARG A 91 -1.872 -4.535 -5.608 1.00 0.20 C ATOM 660 O ARG A 91 -2.843 -5.230 -5.317 1.00 0.22 O ATOM 661 CB ARG A 91 0.323 -5.135 -4.529 1.00 0.22 C ATOM 662 CG ARG A 91 -0.380 -5.773 -3.340 1.00 0.26 C ATOM 663 CD ARG A 91 -0.715 -7.231 -3.586 1.00 0.36 C ATOM 664 NE ARG A 91 0.409 -8.115 -3.264 1.00 0.80 N ATOM 665 CZ ARG A 91 0.374 -9.442 -3.375 1.00 0.73 C ATOM 666 NH1 ARG A 91 -0.732 -10.043 -3.799 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.441 -10.163 -3.055 1.00 1.25 N ATOM 0 H ARG A 91 1.036 -3.999 -6.616 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.656 -6.218 -6.099 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.271 -5.645 -4.697 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.557 -4.098 -4.289 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.256 -5.692 -2.458 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.296 -5.223 -3.124 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.580 -7.511 -2.984 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -0.996 -7.367 -4.630 1.00 0.36 H new ATOM 0 HE ARG A 91 1.274 -7.686 -2.934 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -1.554 -9.488 -4.039 1.00 1.38 H new ATOM 0 HH12 ARG A 91 -0.760 -11.059 -3.884 1.00 1.38 H new ATOM 0 HH21 ARG A 91 2.288 -9.701 -2.724 1.00 1.25 H new ATOM 0 HH22 ARG A 91 1.414 -11.179 -3.140 1.00 1.25 H new ATOM 681 N GLN A 92 -1.952 -3.217 -5.778 1.00 0.19 N ATOM 682 CA GLN A 92 -3.207 -2.498 -5.560 1.00 0.21 C ATOM 683 C GLN A 92 -4.247 -2.914 -6.590 1.00 0.24 C ATOM 684 O GLN A 92 -5.435 -2.997 -6.292 1.00 0.26 O ATOM 685 CB GLN A 92 -3.007 -0.985 -5.644 1.00 0.23 C ATOM 686 CG GLN A 92 -4.136 -0.203 -4.991 1.00 0.34 C ATOM 687 CD GLN A 92 -4.316 1.182 -5.573 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.380 1.781 -6.095 1.00 0.71 O ATOM 689 NE2 GLN A 92 -5.528 1.704 -5.475 1.00 0.78 N ATOM 0 H GLN A 92 -1.170 -2.628 -6.064 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.554 -2.754 -4.559 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.064 -0.721 -5.165 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.926 -0.692 -6.691 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.066 -0.760 -5.101 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -3.940 -0.118 -3.922 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -6.278 1.172 -5.034 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -5.712 2.638 -5.841 1.00 0.78 H new ATOM 698 N GLN A 93 -3.785 -3.175 -7.804 1.00 0.26 N ATOM 699 CA GLN A 93 -4.678 -3.538 -8.897 1.00 0.32 C ATOM 700 C GLN A 93 -5.229 -4.942 -8.687 1.00 0.34 C ATOM 701 O GLN A 93 -6.337 -5.257 -9.119 1.00 0.40 O ATOM 702 CB GLN A 93 -3.957 -3.469 -10.244 1.00 0.36 C ATOM 703 CG GLN A 93 -3.268 -2.149 -10.520 1.00 0.38 C ATOM 704 CD GLN A 93 -4.184 -0.962 -10.385 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.232 -0.409 -9.193 1.00 0.71 O flip ATOM 706 NE2 GLN A 93 -4.835 -0.544 -11.341 1.00 0.57 N flip ATOM 0 H GLN A 93 -2.798 -3.143 -8.058 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.501 -2.823 -8.905 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -3.216 -4.267 -10.287 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.678 -3.661 -11.038 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.430 -2.033 -9.832 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.853 -2.167 -11.528 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -4.765 -1.007 -12.247 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -5.445 0.265 -11.228 1.00 0.57 H new ATOM 715 N ARG A 94 -4.448 -5.784 -8.020 1.00 0.33 N ATOM 716 CA ARG A 94 -4.872 -7.149 -7.734 1.00 0.38 C ATOM 717 C ARG A 94 -5.704 -7.190 -6.465 1.00 0.32 C ATOM 718 O ARG A 94 -6.446 -8.143 -6.225 1.00 0.46 O ATOM 719 CB ARG A 94 -3.671 -8.084 -7.614 1.00 0.47 C ATOM 720 CG ARG A 94 -2.890 -8.213 -8.906 1.00 0.70 C ATOM 721 CD ARG A 94 -3.811 -8.469 -10.089 1.00 0.95 C ATOM 722 NE ARG A 94 -4.637 -9.666 -9.914 1.00 1.67 N ATOM 723 CZ ARG A 94 -4.744 -10.635 -10.822 1.00 2.40 C ATOM 724 NH1 ARG A 94 -4.105 -10.543 -11.982 1.00 2.73 N ATOM 725 NH2 ARG A 94 -5.517 -11.684 -10.582 1.00 3.24 N ATOM 0 H ARG A 94 -3.521 -5.546 -7.668 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.486 -7.493 -8.567 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -3.008 -7.717 -6.830 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -4.015 -9.071 -7.304 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -2.318 -7.302 -9.079 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -2.172 -9.029 -8.819 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -4.458 -7.604 -10.234 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -3.213 -8.575 -10.994 1.00 0.95 H new ATOM 0 HE ARG A 94 -5.162 -9.763 -9.045 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -3.527 -9.727 -12.183 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -4.192 -11.289 -12.672 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -6.030 -11.749 -9.703 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -5.599 -12.426 -11.277 1.00 3.24 H new ATOM 739 N ALA A 95 -5.565 -6.153 -5.653 1.00 0.28 N ATOM 740 CA ALA A 95 -6.381 -5.992 -4.472 1.00 0.25 C ATOM 741 C ALA A 95 -7.825 -5.723 -4.889 1.00 0.26 C ATOM 742 O ALA A 95 -8.072 -5.145 -5.948 1.00 0.36 O ATOM 743 CB ALA A 95 -5.822 -4.861 -3.626 1.00 0.25 C ATOM 0 H ALA A 95 -4.886 -5.406 -5.798 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.367 -6.902 -3.872 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.435 -4.737 -2.734 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.799 -5.097 -3.333 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.830 -3.937 -4.203 1.00 0.25 H new ATOM 749 N HIS A 96 -8.774 -6.157 -4.076 1.00 0.29 N ATOM 750 CA HIS A 96 -10.176 -6.092 -4.459 1.00 0.29 C ATOM 751 C HIS A 96 -10.731 -4.701 -4.224 1.00 0.27 C ATOM 752 O HIS A 96 -10.621 -4.150 -3.126 1.00 0.29 O ATOM 753 CB HIS A 96 -11.007 -7.112 -3.691 1.00 0.33 C ATOM 754 CG HIS A 96 -12.264 -7.494 -4.401 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.429 -6.782 -4.246 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.477 -8.511 -5.268 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.320 -7.376 -5.022 1.00 0.46 C ATOM 758 NE2 HIS A 96 -13.786 -8.430 -5.659 1.00 0.50 N ATOM 0 H HIS A 96 -8.602 -6.556 -3.153 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.236 -6.326 -5.522 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.407 -8.006 -3.519 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.259 -6.704 -2.712 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -11.753 -9.245 -5.590 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.345 -7.054 -5.129 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.265 -9.052 -6.310 1.00 0.50 H new ATOM 766 N SER A 97 -11.355 -4.166 -5.263 1.00 0.32 N ATOM 767 CA SER A 97 -11.825 -2.788 -5.289 1.00 0.37 C ATOM 768 C SER A 97 -12.778 -2.455 -4.138 1.00 0.33 C ATOM 769 O SER A 97 -12.918 -1.292 -3.780 1.00 0.39 O ATOM 770 CB SER A 97 -12.512 -2.522 -6.626 1.00 0.48 C ATOM 771 OG SER A 97 -11.682 -2.922 -7.705 1.00 1.46 O ATOM 0 H SER A 97 -11.552 -4.681 -6.121 1.00 0.32 H new ATOM 0 HA SER A 97 -10.954 -2.144 -5.166 1.00 0.37 H new ATOM 0 HB2 SER A 97 -13.458 -3.062 -6.668 1.00 0.48 H new ATOM 0 HB3 SER A 97 -12.747 -1.461 -6.715 1.00 0.48 H new ATOM 0 HG SER A 97 -12.140 -2.745 -8.553 1.00 1.46 H new ATOM 777 N LEU A 98 -13.418 -3.461 -3.554 1.00 0.29 N ATOM 778 CA LEU A 98 -14.396 -3.227 -2.501 1.00 0.32 C ATOM 779 C LEU A 98 -13.743 -2.720 -1.221 1.00 0.35 C ATOM 780 O LEU A 98 -14.182 -1.726 -0.645 1.00 0.43 O ATOM 781 CB LEU A 98 -15.187 -4.499 -2.227 1.00 0.35 C ATOM 782 CG LEU A 98 -16.189 -4.866 -3.319 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.034 -6.053 -2.886 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.067 -3.668 -3.650 1.00 0.67 C ATOM 0 H LEU A 98 -13.277 -4.443 -3.791 1.00 0.29 H new ATOM 0 HA LEU A 98 -15.077 -2.450 -2.849 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.489 -5.326 -2.099 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.722 -4.384 -1.284 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.642 -5.149 -4.218 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.743 -6.302 -3.675 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.388 -6.910 -2.695 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.578 -5.800 -1.976 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.777 -3.942 -4.430 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.610 -3.357 -2.757 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.443 -2.845 -4.000 1.00 0.67 H new ATOM 796 N PHE A 99 -12.703 -3.408 -0.768 1.00 0.32 N ATOM 797 CA PHE A 99 -11.954 -2.955 0.400 1.00 0.34 C ATOM 798 C PHE A 99 -11.250 -1.641 0.100 1.00 0.34 C ATOM 799 O PHE A 99 -11.185 -0.752 0.949 1.00 0.39 O ATOM 800 CB PHE A 99 -10.932 -4.004 0.844 1.00 0.36 C ATOM 801 CG PHE A 99 -9.811 -3.437 1.676 1.00 0.31 C ATOM 802 CD1 PHE A 99 -10.039 -2.992 2.967 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.530 -3.331 1.153 1.00 0.38 C ATOM 804 CE1 PHE A 99 -9.011 -2.458 3.720 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.503 -2.797 1.903 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.743 -2.359 3.188 1.00 0.58 C ATOM 0 H PHE A 99 -12.360 -4.273 -1.185 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.664 -2.804 1.213 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.443 -4.778 1.417 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.511 -4.486 -0.038 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.030 -3.063 3.390 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.335 -3.671 0.147 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.201 -2.118 4.727 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.511 -2.722 1.484 1.00 0.49 H new ATOM 0 HZ PHE A 99 -6.940 -1.940 3.776 1.00 0.58 H new ATOM 816 N LEU A 100 -10.712 -1.535 -1.104 1.00 0.31 N ATOM 817 CA LEU A 100 -10.021 -0.332 -1.518 1.00 0.36 C ATOM 818 C LEU A 100 -10.972 0.863 -1.483 1.00 0.45 C ATOM 819 O LEU A 100 -10.658 1.885 -0.884 1.00 0.79 O ATOM 820 CB LEU A 100 -9.435 -0.537 -2.914 1.00 0.37 C ATOM 821 CG LEU A 100 -8.649 -1.843 -3.076 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.206 -2.041 -4.509 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.445 -1.883 -2.146 1.00 0.70 C ATOM 0 H LEU A 100 -10.742 -2.270 -1.810 1.00 0.31 H new ATOM 0 HA LEU A 100 -9.204 -0.123 -0.828 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.245 -0.520 -3.643 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.779 0.301 -3.148 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.320 -2.659 -2.806 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.651 -2.975 -4.592 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -9.081 -2.079 -5.158 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.567 -1.211 -4.810 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.909 -2.822 -2.285 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.781 -1.049 -2.374 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.781 -1.807 -1.112 1.00 0.70 H new ATOM 835 N ALA A 101 -12.163 0.703 -2.061 1.00 0.28 N ATOM 836 CA ALA A 101 -13.167 1.771 -2.098 1.00 0.33 C ATOM 837 C ALA A 101 -13.875 1.924 -0.750 1.00 0.36 C ATOM 838 O ALA A 101 -15.082 2.158 -0.686 1.00 0.57 O ATOM 839 CB ALA A 101 -14.185 1.500 -3.198 1.00 0.36 C ATOM 0 H ALA A 101 -12.459 -0.162 -2.513 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.649 2.706 -2.311 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.925 2.300 -3.214 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.677 1.456 -4.161 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.683 0.550 -3.007 1.00 0.36 H new ATOM 845 N SER A 102 -13.108 1.838 0.317 1.00 0.34 N ATOM 846 CA SER A 102 -13.645 1.845 1.659 1.00 0.36 C ATOM 847 C SER A 102 -12.816 2.769 2.538 1.00 0.36 C ATOM 848 O SER A 102 -11.648 3.047 2.250 1.00 0.46 O ATOM 849 CB SER A 102 -13.644 0.418 2.220 1.00 0.40 C ATOM 850 OG SER A 102 -14.122 0.377 3.555 1.00 1.39 O ATOM 0 H SER A 102 -12.092 1.761 0.276 1.00 0.34 H new ATOM 0 HA SER A 102 -14.671 2.212 1.642 1.00 0.36 H new ATOM 0 HB2 SER A 102 -14.265 -0.220 1.592 1.00 0.40 H new ATOM 0 HB3 SER A 102 -12.632 0.014 2.183 1.00 0.40 H new ATOM 0 HG SER A 102 -14.109 -0.548 3.879 1.00 1.39 H new ATOM 856 N ALA A 103 -13.436 3.241 3.612 1.00 0.35 N ATOM 857 CA ALA A 103 -12.803 4.173 4.530 1.00 0.36 C ATOM 858 C ALA A 103 -11.601 3.539 5.197 1.00 0.29 C ATOM 859 O ALA A 103 -10.666 4.228 5.603 1.00 0.30 O ATOM 860 CB ALA A 103 -13.789 4.623 5.588 1.00 0.44 C ATOM 0 H ALA A 103 -14.390 2.988 3.869 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.472 5.038 3.955 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.300 5.321 6.268 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.636 5.115 5.110 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.142 3.757 6.148 1.00 0.44 H new ATOM 866 N GLU A 104 -11.639 2.219 5.312 1.00 0.29 N ATOM 867 CA GLU A 104 -10.564 1.477 5.935 1.00 0.30 C ATOM 868 C GLU A 104 -9.241 1.764 5.230 1.00 0.26 C ATOM 869 O GLU A 104 -8.276 2.204 5.853 1.00 0.30 O ATOM 870 CB GLU A 104 -10.866 -0.020 5.879 1.00 0.39 C ATOM 871 CG GLU A 104 -9.795 -0.888 6.516 1.00 0.49 C ATOM 872 CD GLU A 104 -9.746 -0.757 8.023 1.00 1.02 C ATOM 873 OE1 GLU A 104 -10.455 -1.510 8.719 1.00 1.15 O ATOM 874 OE2 GLU A 104 -9.003 0.116 8.516 1.00 1.81 O ATOM 0 H GLU A 104 -12.410 1.641 4.978 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.481 1.789 6.976 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -11.817 -0.208 6.378 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -10.989 -0.317 4.838 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -9.976 -1.930 6.253 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -8.823 -0.619 6.102 1.00 0.49 H new ATOM 881 N PHE A 105 -9.222 1.546 3.920 1.00 0.22 N ATOM 882 CA PHE A 105 -8.013 1.723 3.132 1.00 0.20 C ATOM 883 C PHE A 105 -7.581 3.189 3.132 1.00 0.19 C ATOM 884 O PHE A 105 -6.386 3.491 3.131 1.00 0.16 O ATOM 885 CB PHE A 105 -8.230 1.216 1.704 1.00 0.21 C ATOM 886 CG PHE A 105 -6.960 1.122 0.913 1.00 0.18 C ATOM 887 CD1 PHE A 105 -5.838 0.537 1.471 1.00 0.18 C ATOM 888 CD2 PHE A 105 -6.887 1.617 -0.376 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.662 0.453 0.759 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.712 1.534 -1.096 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.598 0.951 -0.528 1.00 0.16 C ATOM 0 H PHE A 105 -10.035 1.245 3.382 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.213 1.137 3.585 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.701 0.234 1.741 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -8.923 1.882 1.190 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -5.884 0.142 2.475 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.758 2.073 -0.824 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.791 -0.002 1.206 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.665 1.925 -2.102 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.677 0.884 -1.089 1.00 0.16 H new ATOM 901 N CYS A 106 -8.556 4.094 3.136 1.00 0.27 N ATOM 902 CA CYS A 106 -8.280 5.519 3.295 1.00 0.27 C ATOM 903 C CYS A 106 -7.440 5.776 4.553 1.00 0.27 C ATOM 904 O CYS A 106 -6.452 6.511 4.504 1.00 0.28 O ATOM 905 CB CYS A 106 -9.586 6.317 3.356 1.00 0.29 C ATOM 906 SG CYS A 106 -9.351 8.103 3.527 1.00 0.59 S ATOM 0 H CYS A 106 -9.545 3.866 3.031 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.709 5.851 2.428 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.161 6.122 2.451 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.181 5.957 4.196 1.00 0.29 H new ATOM 0 HG CYS A 106 -9.941 8.714 2.543 1.00 0.59 H new ATOM 912 N ASN A 107 -7.833 5.161 5.675 1.00 0.28 N ATOM 913 CA ASN A 107 -7.053 5.234 6.918 1.00 0.30 C ATOM 914 C ASN A 107 -5.637 4.763 6.683 1.00 0.24 C ATOM 915 O ASN A 107 -4.679 5.448 7.027 1.00 0.23 O ATOM 916 CB ASN A 107 -7.647 4.347 8.011 1.00 0.37 C ATOM 917 CG ASN A 107 -8.835 4.962 8.728 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.676 5.678 9.718 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.032 4.670 8.252 1.00 0.64 N ATOM 0 H ASN A 107 -8.686 4.607 5.748 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.073 6.277 7.235 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -7.954 3.399 7.569 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -6.871 4.121 8.743 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.866 5.041 8.707 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.122 4.073 7.430 1.00 0.64 H new ATOM 926 N ILE A 108 -5.526 3.574 6.111 1.00 0.21 N ATOM 927 CA ILE A 108 -4.238 2.955 5.843 1.00 0.17 C ATOM 928 C ILE A 108 -3.327 3.906 5.076 1.00 0.12 C ATOM 929 O ILE A 108 -2.223 4.214 5.517 1.00 0.12 O ATOM 930 CB ILE A 108 -4.432 1.641 5.049 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.615 0.453 5.990 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.294 1.386 4.076 1.00 0.14 C ATOM 933 CD1 ILE A 108 -5.971 0.414 6.644 1.00 0.39 C ATOM 0 H ILE A 108 -6.326 3.012 5.820 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.764 2.725 6.797 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.342 1.758 4.460 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.462 -0.471 5.432 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -3.847 0.489 6.763 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.474 0.453 3.542 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.235 2.207 3.362 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.355 1.314 4.625 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.034 -0.455 7.299 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.119 1.322 7.229 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.743 0.347 5.877 1.00 0.39 H new ATOM 945 N LEU A 109 -3.825 4.399 3.958 1.00 0.12 N ATOM 946 CA LEU A 109 -3.064 5.285 3.095 1.00 0.12 C ATOM 947 C LEU A 109 -2.702 6.588 3.777 1.00 0.13 C ATOM 948 O LEU A 109 -1.532 6.961 3.817 1.00 0.13 O ATOM 949 CB LEU A 109 -3.853 5.564 1.835 1.00 0.15 C ATOM 950 CG LEU A 109 -3.656 4.528 0.752 1.00 0.16 C ATOM 951 CD1 LEU A 109 -4.697 4.694 -0.316 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.276 4.673 0.161 1.00 0.17 C ATOM 0 H LEU A 109 -4.767 4.198 3.622 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.129 4.781 2.850 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -4.913 5.618 2.085 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.567 6.541 1.447 1.00 0.15 H new ATOM 0 HG LEU A 109 -3.758 3.532 1.184 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.546 3.943 -1.091 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.688 4.571 0.120 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.614 5.689 -0.754 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.134 3.926 -0.620 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.166 5.670 -0.266 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.529 4.528 0.941 1.00 0.17 H new ATOM 964 N SER A 110 -3.704 7.265 4.312 1.00 0.16 N ATOM 965 CA SER A 110 -3.496 8.547 4.970 1.00 0.20 C ATOM 966 C SER A 110 -2.432 8.416 6.050 1.00 0.19 C ATOM 967 O SER A 110 -1.593 9.300 6.225 1.00 0.22 O ATOM 968 CB SER A 110 -4.805 9.044 5.583 1.00 0.28 C ATOM 969 OG SER A 110 -4.673 10.362 6.090 1.00 1.18 O ATOM 0 H SER A 110 -4.673 6.948 4.304 1.00 0.16 H new ATOM 0 HA SER A 110 -3.158 9.270 4.228 1.00 0.20 H new ATOM 0 HB2 SER A 110 -5.593 9.020 4.830 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.110 8.373 6.386 1.00 0.28 H new ATOM 0 HG SER A 110 -5.527 10.652 6.474 1.00 1.18 H new ATOM 975 N ARG A 111 -2.461 7.291 6.746 1.00 0.18 N ATOM 976 CA ARG A 111 -1.533 7.033 7.822 1.00 0.19 C ATOM 977 C ARG A 111 -0.141 6.664 7.302 1.00 0.16 C ATOM 978 O ARG A 111 0.825 7.361 7.604 1.00 0.17 O ATOM 979 CB ARG A 111 -2.084 5.933 8.724 1.00 0.25 C ATOM 980 CG ARG A 111 -3.257 6.385 9.576 1.00 0.33 C ATOM 981 CD ARG A 111 -3.753 5.261 10.464 1.00 1.22 C ATOM 982 NE ARG A 111 -4.281 4.147 9.681 1.00 1.97 N ATOM 983 CZ ARG A 111 -4.508 2.932 10.175 1.00 2.79 C ATOM 984 NH1 ARG A 111 -4.207 2.656 11.435 1.00 3.10 N ATOM 985 NH2 ARG A 111 -5.027 1.989 9.401 1.00 3.73 N ATOM 0 H ARG A 111 -3.127 6.537 6.578 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.422 7.951 8.400 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.395 5.090 8.108 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.287 5.574 9.376 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -2.958 7.233 10.191 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.067 6.728 8.932 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -2.937 4.908 11.094 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -4.529 5.638 11.129 1.00 1.22 H new ATOM 0 HE ARG A 111 -4.488 4.310 8.696 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -3.799 3.376 12.031 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -4.383 1.723 11.809 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -5.252 2.195 8.428 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -5.201 1.058 9.779 1.00 3.73 H new ATOM 999 N VAL A 112 -0.033 5.598 6.500 1.00 0.15 N ATOM 1000 CA VAL A 112 1.283 5.110 6.068 1.00 0.14 C ATOM 1001 C VAL A 112 2.010 6.136 5.206 1.00 0.14 C ATOM 1002 O VAL A 112 3.218 6.320 5.348 1.00 0.15 O ATOM 1003 CB VAL A 112 1.230 3.760 5.310 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.649 2.662 6.184 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.453 3.892 4.017 1.00 0.15 C ATOM 0 H VAL A 112 -0.825 5.065 6.142 1.00 0.15 H new ATOM 0 HA VAL A 112 1.835 4.947 6.994 1.00 0.14 H new ATOM 0 HB VAL A 112 2.253 3.480 5.060 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.624 1.727 5.625 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.269 2.538 7.072 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.364 2.933 6.483 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.432 2.930 3.505 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.567 4.209 4.236 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.934 4.632 3.378 1.00 0.15 H new ATOM 1015 N LEU A 113 1.280 6.816 4.330 1.00 0.15 N ATOM 1016 CA LEU A 113 1.868 7.805 3.466 1.00 0.16 C ATOM 1017 C LEU A 113 2.418 8.971 4.287 1.00 0.17 C ATOM 1018 O LEU A 113 3.541 9.422 4.071 1.00 0.20 O ATOM 1019 CB LEU A 113 0.814 8.276 2.467 1.00 0.16 C ATOM 1020 CG LEU A 113 0.878 9.745 2.108 1.00 0.20 C ATOM 1021 CD1 LEU A 113 2.091 10.030 1.237 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.399 10.178 1.417 1.00 0.27 C ATOM 0 H LEU A 113 0.275 6.692 4.207 1.00 0.15 H new ATOM 0 HA LEU A 113 2.705 7.370 2.919 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.915 7.690 1.553 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.173 8.061 2.876 1.00 0.16 H new ATOM 0 HG LEU A 113 0.979 10.322 3.027 1.00 0.20 H new ATOM 0 HD11 LEU A 113 2.120 11.091 0.989 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.998 9.759 1.777 1.00 0.20 H new ATOM 0 HD13 LEU A 113 2.026 9.445 0.320 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.336 11.237 1.166 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.535 9.596 0.505 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.247 10.013 2.082 1.00 0.27 H new ATOM 1034 N SER A 114 1.631 9.429 5.249 1.00 0.17 N ATOM 1035 CA SER A 114 2.027 10.544 6.092 1.00 0.21 C ATOM 1036 C SER A 114 3.182 10.137 7.005 1.00 0.18 C ATOM 1037 O SER A 114 4.069 10.943 7.305 1.00 0.20 O ATOM 1038 CB SER A 114 0.825 11.025 6.901 1.00 0.26 C ATOM 1039 OG SER A 114 1.142 12.149 7.706 1.00 1.06 O ATOM 0 H SER A 114 0.712 9.043 5.465 1.00 0.17 H new ATOM 0 HA SER A 114 2.374 11.366 5.466 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.011 11.283 6.223 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.467 10.214 7.535 1.00 0.26 H new ATOM 0 HG SER A 114 0.347 12.427 8.207 1.00 1.06 H new ATOM 1045 N ARG A 115 3.166 8.882 7.440 1.00 0.15 N ATOM 1046 CA ARG A 115 4.265 8.321 8.204 1.00 0.16 C ATOM 1047 C ARG A 115 5.546 8.318 7.377 1.00 0.15 C ATOM 1048 O ARG A 115 6.610 8.642 7.880 1.00 0.18 O ATOM 1049 CB ARG A 115 3.936 6.902 8.657 1.00 0.20 C ATOM 1050 CG ARG A 115 2.888 6.837 9.748 1.00 0.31 C ATOM 1051 CD ARG A 115 3.365 7.524 11.011 1.00 0.53 C ATOM 1052 NE ARG A 115 2.555 7.166 12.175 1.00 0.89 N ATOM 1053 CZ ARG A 115 2.328 7.984 13.204 1.00 1.21 C ATOM 1054 NH1 ARG A 115 2.751 9.241 13.170 1.00 1.63 N ATOM 1055 NH2 ARG A 115 1.656 7.547 14.264 1.00 1.62 N ATOM 0 H ARG A 115 2.397 8.233 7.273 1.00 0.15 H new ATOM 0 HA ARG A 115 4.417 8.944 9.085 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.589 6.327 7.798 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.848 6.423 9.013 1.00 0.20 H new ATOM 0 HG2 ARG A 115 1.968 7.308 9.400 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.650 5.796 9.965 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.405 7.256 11.198 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.335 8.604 10.868 1.00 0.53 H new ATOM 0 HE ARG A 115 2.139 6.235 12.202 1.00 0.89 H new ATOM 0 HH11 ARG A 115 3.254 9.588 12.353 1.00 1.63 H new ATOM 0 HH12 ARG A 115 2.574 9.860 13.961 1.00 1.63 H new ATOM 0 HH21 ARG A 115 1.314 6.586 14.291 1.00 1.62 H new ATOM 0 HH22 ARG A 115 1.482 8.172 15.051 1.00 1.62 H new ATOM 1069 N ALA A 116 5.429 7.961 6.102 1.00 0.15 N ATOM 1070 CA ALA A 116 6.584 7.902 5.210 1.00 0.18 C ATOM 1071 C ALA A 116 7.089 9.297 4.845 1.00 0.21 C ATOM 1072 O ALA A 116 8.278 9.489 4.608 1.00 0.25 O ATOM 1073 CB ALA A 116 6.250 7.107 3.967 1.00 0.20 C ATOM 0 H ALA A 116 4.545 7.708 5.662 1.00 0.15 H new ATOM 0 HA ALA A 116 7.390 7.396 5.742 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.121 7.072 3.312 1.00 0.20 H new ATOM 0 HB2 ALA A 116 5.967 6.093 4.249 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.421 7.582 3.443 1.00 0.20 H new ATOM 1079 N ARG A 117 6.170 10.259 4.771 1.00 0.23 N ATOM 1080 CA ARG A 117 6.542 11.668 4.629 1.00 0.28 C ATOM 1081 C ARG A 117 7.455 12.083 5.780 1.00 0.29 C ATOM 1082 O ARG A 117 8.460 12.769 5.590 1.00 0.39 O ATOM 1083 CB ARG A 117 5.298 12.563 4.647 1.00 0.38 C ATOM 1084 CG ARG A 117 4.395 12.429 3.432 1.00 1.06 C ATOM 1085 CD ARG A 117 5.024 13.031 2.188 1.00 1.15 C ATOM 1086 NE ARG A 117 4.062 13.119 1.088 1.00 1.75 N ATOM 1087 CZ ARG A 117 4.389 13.341 -0.185 1.00 2.25 C ATOM 1088 NH1 ARG A 117 5.653 13.558 -0.531 1.00 2.33 N ATOM 1089 NH2 ARG A 117 3.442 13.388 -1.109 1.00 2.99 N ATOM 0 H ARG A 117 5.165 10.090 4.807 1.00 0.23 H new ATOM 0 HA ARG A 117 7.058 11.786 3.676 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.717 12.334 5.540 1.00 0.38 H new ATOM 0 HB3 ARG A 117 5.617 13.602 4.732 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.178 11.375 3.255 1.00 1.06 H new ATOM 0 HG3 ARG A 117 3.443 12.921 3.632 1.00 1.06 H new ATOM 0 HD2 ARG A 117 5.407 14.025 2.418 1.00 1.15 H new ATOM 0 HD3 ARG A 117 5.876 12.424 1.880 1.00 1.15 H new ATOM 0 HE ARG A 117 3.074 13.002 1.311 1.00 1.75 H new ATOM 0 HH11 ARG A 117 6.384 13.556 0.180 1.00 2.33 H new ATOM 0 HH12 ARG A 117 5.893 13.727 -1.508 1.00 2.33 H new ATOM 0 HH21 ARG A 117 2.466 13.255 -0.846 1.00 2.99 H new ATOM 0 HH22 ARG A 117 3.689 13.558 -2.084 1.00 2.99 H new ATOM 1103 N SER A 118 7.083 11.646 6.972 1.00 0.28 N ATOM 1104 CA SER A 118 7.792 12.001 8.189 1.00 0.33 C ATOM 1105 C SER A 118 9.049 11.167 8.345 1.00 0.32 C ATOM 1106 O SER A 118 10.129 11.677 8.640 1.00 0.41 O ATOM 1107 CB SER A 118 6.872 11.767 9.380 1.00 0.38 C ATOM 1108 OG SER A 118 7.399 12.346 10.561 1.00 0.62 O ATOM 0 H SER A 118 6.280 11.035 7.123 1.00 0.28 H new ATOM 0 HA SER A 118 8.083 13.050 8.137 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.890 12.191 9.172 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.732 10.696 9.529 1.00 0.38 H new ATOM 0 HG SER A 118 6.786 12.181 11.308 1.00 0.62 H new ATOM 1114 N ARG A 119 8.874 9.882 8.159 1.00 0.26 N ATOM 1115 CA ARG A 119 9.946 8.910 8.283 1.00 0.28 C ATOM 1116 C ARG A 119 10.266 8.264 6.940 1.00 0.26 C ATOM 1117 O ARG A 119 9.833 7.143 6.664 1.00 0.25 O ATOM 1118 CB ARG A 119 9.555 7.821 9.283 1.00 0.33 C ATOM 1119 CG ARG A 119 9.648 8.249 10.734 1.00 0.47 C ATOM 1120 CD ARG A 119 11.091 8.301 11.198 1.00 1.28 C ATOM 1121 NE ARG A 119 11.199 8.675 12.604 1.00 1.54 N ATOM 1122 CZ ARG A 119 12.240 8.370 13.379 1.00 2.39 C ATOM 1123 NH1 ARG A 119 13.258 7.670 12.893 1.00 3.26 N ATOM 1124 NH2 ARG A 119 12.259 8.761 14.645 1.00 2.60 N ATOM 0 H ARG A 119 7.973 9.471 7.914 1.00 0.26 H new ATOM 0 HA ARG A 119 10.832 9.437 8.636 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.534 7.501 9.075 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.198 6.954 9.129 1.00 0.33 H new ATOM 0 HG2 ARG A 119 9.188 9.229 10.857 1.00 0.47 H new ATOM 0 HG3 ARG A 119 9.087 7.553 11.358 1.00 0.47 H new ATOM 0 HD2 ARG A 119 11.557 7.327 11.045 1.00 1.28 H new ATOM 0 HD3 ARG A 119 11.642 9.017 10.589 1.00 1.28 H new ATOM 0 HE ARG A 119 10.431 9.202 13.020 1.00 1.54 H new ATOM 0 HH11 ARG A 119 13.247 7.362 11.921 1.00 3.26 H new ATOM 0 HH12 ARG A 119 14.051 7.440 13.492 1.00 3.26 H new ATOM 0 HH21 ARG A 119 11.478 9.295 15.026 1.00 2.60 H new ATOM 0 HH22 ARG A 119 13.055 8.528 15.239 1.00 2.60 H new ATOM 1138 N PRO A 120 11.039 8.956 6.092 1.00 0.29 N ATOM 1139 CA PRO A 120 11.545 8.392 4.842 1.00 0.30 C ATOM 1140 C PRO A 120 12.401 7.164 5.117 1.00 0.27 C ATOM 1141 O PRO A 120 12.491 6.245 4.300 1.00 0.28 O ATOM 1142 CB PRO A 120 12.405 9.520 4.260 1.00 0.37 C ATOM 1143 CG PRO A 120 12.695 10.416 5.410 1.00 0.38 C ATOM 1144 CD PRO A 120 11.484 10.339 6.283 1.00 0.35 C ATOM 0 HA PRO A 120 10.749 8.070 4.170 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.324 9.130 3.822 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.876 10.052 3.469 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.588 10.093 5.946 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.876 11.438 5.077 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.722 10.548 7.326 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.720 11.056 5.981 1.00 0.35 H new ATOM 1152 N ALA A 121 13.004 7.160 6.300 1.00 0.25 N ATOM 1153 CA ALA A 121 13.874 6.081 6.735 1.00 0.28 C ATOM 1154 C ALA A 121 13.124 4.756 6.858 1.00 0.27 C ATOM 1155 O ALA A 121 13.717 3.684 6.730 1.00 0.35 O ATOM 1156 CB ALA A 121 14.517 6.449 8.060 1.00 0.33 C ATOM 0 H ALA A 121 12.901 7.909 6.985 1.00 0.25 H new ATOM 0 HA ALA A 121 14.646 5.945 5.978 1.00 0.28 H new ATOM 0 HB1 ALA A 121 15.169 5.639 8.385 1.00 0.33 H new ATOM 0 HB2 ALA A 121 15.103 7.360 7.940 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.741 6.613 8.808 1.00 0.33 H new ATOM 1162 N LYS A 122 11.822 4.826 7.102 1.00 0.22 N ATOM 1163 CA LYS A 122 11.021 3.626 7.271 1.00 0.27 C ATOM 1164 C LYS A 122 9.874 3.587 6.276 1.00 0.19 C ATOM 1165 O LYS A 122 8.900 2.860 6.469 1.00 0.18 O ATOM 1166 CB LYS A 122 10.497 3.541 8.697 1.00 0.39 C ATOM 1167 CG LYS A 122 11.575 3.193 9.704 1.00 0.49 C ATOM 1168 CD LYS A 122 11.407 1.774 10.224 1.00 0.66 C ATOM 1169 CE LYS A 122 12.441 1.452 11.292 1.00 1.28 C ATOM 1170 NZ LYS A 122 12.247 0.097 11.882 1.00 1.79 N ATOM 0 H LYS A 122 11.302 5.699 7.187 1.00 0.22 H new ATOM 0 HA LYS A 122 11.657 2.762 7.079 1.00 0.27 H new ATOM 0 HB2 LYS A 122 10.047 4.495 8.970 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.708 2.791 8.744 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.556 3.299 9.241 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.538 3.895 10.537 1.00 0.49 H new ATOM 0 HD2 LYS A 122 10.405 1.651 10.636 1.00 0.66 H new ATOM 0 HD3 LYS A 122 11.501 1.068 9.399 1.00 0.66 H new ATOM 0 HE2 LYS A 122 13.439 1.517 10.859 1.00 1.28 H new ATOM 0 HE3 LYS A 122 12.388 2.200 12.083 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 12.976 -0.075 12.604 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 11.305 0.041 12.320 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 12.324 -0.622 11.134 1.00 1.79 H new ATOM 1184 N LEU A 123 10.013 4.367 5.207 1.00 0.17 N ATOM 1185 CA LEU A 123 9.069 4.371 4.105 1.00 0.14 C ATOM 1186 C LEU A 123 8.703 2.955 3.674 1.00 0.12 C ATOM 1187 O LEU A 123 7.545 2.662 3.395 1.00 0.12 O ATOM 1188 CB LEU A 123 9.696 5.115 2.936 1.00 0.16 C ATOM 1189 CG LEU A 123 9.061 4.854 1.582 1.00 0.14 C ATOM 1190 CD1 LEU A 123 7.864 5.755 1.373 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.088 5.047 0.495 1.00 0.21 C ATOM 0 H LEU A 123 10.790 5.016 5.085 1.00 0.17 H new ATOM 0 HA LEU A 123 8.153 4.864 4.430 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.648 6.185 3.141 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.751 4.848 2.881 1.00 0.16 H new ATOM 0 HG LEU A 123 8.707 3.824 1.544 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.423 5.553 0.397 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.125 5.565 2.152 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.180 6.797 1.419 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.630 4.859 -0.476 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.464 6.070 0.527 1.00 0.21 H new ATOM 0 HD23 LEU A 123 10.914 4.352 0.647 1.00 0.21 H new ATOM 1203 N TYR A 124 9.698 2.073 3.649 1.00 0.13 N ATOM 1204 CA TYR A 124 9.494 0.710 3.185 1.00 0.13 C ATOM 1205 C TYR A 124 8.520 -0.029 4.069 1.00 0.13 C ATOM 1206 O TYR A 124 7.669 -0.726 3.565 1.00 0.14 O ATOM 1207 CB TYR A 124 10.809 -0.049 3.096 1.00 0.14 C ATOM 1208 CG TYR A 124 11.680 0.408 1.959 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.533 1.496 2.098 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.645 -0.249 0.740 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.326 1.912 1.052 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.430 0.157 -0.305 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.274 1.241 -0.148 1.00 0.24 C ATOM 1214 OH TYR A 124 14.057 1.665 -1.192 1.00 0.31 O ATOM 0 H TYR A 124 10.652 2.280 3.945 1.00 0.13 H new ATOM 0 HA TYR A 124 9.069 0.771 2.183 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.354 0.069 4.033 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.600 -1.113 2.981 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.575 2.023 3.040 1.00 0.22 H new ATOM 0 HD2 TYR A 124 10.987 -1.096 0.612 1.00 0.14 H new ATOM 0 HE1 TYR A 124 13.984 2.759 1.173 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.390 -0.367 -1.248 1.00 0.19 H new ATOM 0 HH TYR A 124 14.821 1.060 -1.295 1.00 0.31 H new ATOM 1224 N VAL A 125 8.628 0.125 5.378 1.00 0.13 N ATOM 1225 CA VAL A 125 7.657 -0.494 6.280 1.00 0.14 C ATOM 1226 C VAL A 125 6.236 -0.114 5.878 1.00 0.12 C ATOM 1227 O VAL A 125 5.345 -0.956 5.847 1.00 0.14 O ATOM 1228 CB VAL A 125 7.893 -0.090 7.744 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.805 -0.662 8.648 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.269 -0.552 8.185 1.00 0.23 C ATOM 0 H VAL A 125 9.362 0.662 5.839 1.00 0.13 H new ATOM 0 HA VAL A 125 7.789 -1.573 6.197 1.00 0.14 H new ATOM 0 HB VAL A 125 7.846 0.996 7.824 1.00 0.18 H new ATOM 0 HG11 VAL A 125 6.994 -0.362 9.679 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.833 -0.283 8.332 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.810 -1.750 8.580 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.434 -0.264 9.223 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.335 -1.636 8.094 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.028 -0.088 7.555 1.00 0.23 H new ATOM 1240 N TYR A 126 6.054 1.147 5.526 1.00 0.11 N ATOM 1241 CA TYR A 126 4.753 1.660 5.135 1.00 0.11 C ATOM 1242 C TYR A 126 4.384 1.155 3.740 1.00 0.10 C ATOM 1243 O TYR A 126 3.215 0.919 3.441 1.00 0.11 O ATOM 1244 CB TYR A 126 4.784 3.185 5.214 1.00 0.12 C ATOM 1245 CG TYR A 126 5.349 3.664 6.536 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.911 3.110 7.733 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.342 4.638 6.592 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.439 3.511 8.943 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.876 5.041 7.802 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.422 4.475 8.973 1.00 0.20 C ATOM 1251 OH TYR A 126 6.954 4.870 10.180 1.00 0.25 O ATOM 0 H TYR A 126 6.801 1.841 5.503 1.00 0.11 H new ATOM 0 HA TYR A 126 3.980 1.299 5.813 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.386 3.580 4.396 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.775 3.577 5.085 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.143 2.351 7.716 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.701 5.085 5.677 1.00 0.17 H new ATOM 0 HE1 TYR A 126 5.083 3.071 9.863 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.647 5.797 7.829 1.00 0.20 H new ATOM 0 HH TYR A 126 7.637 5.556 10.028 1.00 0.25 H new ATOM 1261 N ILE A 127 5.402 0.981 2.904 1.00 0.11 N ATOM 1262 CA ILE A 127 5.259 0.298 1.618 1.00 0.11 C ATOM 1263 C ILE A 127 4.788 -1.137 1.843 1.00 0.11 C ATOM 1264 O ILE A 127 3.802 -1.590 1.266 1.00 0.11 O ATOM 1265 CB ILE A 127 6.612 0.269 0.861 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.012 1.682 0.441 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.545 -0.652 -0.343 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.471 1.828 0.078 1.00 0.11 C ATOM 0 H ILE A 127 6.349 1.308 3.096 1.00 0.11 H new ATOM 0 HA ILE A 127 4.526 0.842 1.022 1.00 0.11 H new ATOM 0 HB ILE A 127 7.373 -0.123 1.536 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.405 1.981 -0.413 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.780 2.370 1.254 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.507 -0.653 -0.855 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.308 -1.664 -0.014 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.771 -0.302 -1.026 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.673 2.860 -0.209 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.088 1.562 0.936 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.706 1.167 -0.756 1.00 0.11 H new ATOM 1280 N ASN A 128 5.520 -1.826 2.705 1.00 0.12 N ATOM 1281 CA ASN A 128 5.263 -3.205 3.060 1.00 0.14 C ATOM 1282 C ASN A 128 3.862 -3.361 3.619 1.00 0.14 C ATOM 1283 O ASN A 128 3.124 -4.263 3.217 1.00 0.16 O ATOM 1284 CB ASN A 128 6.281 -3.653 4.114 1.00 0.20 C ATOM 1285 CG ASN A 128 7.699 -3.827 3.587 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.472 -4.612 4.120 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.062 -3.093 2.553 1.00 0.26 N ATOM 0 H ASN A 128 6.327 -1.429 3.186 1.00 0.12 H new ATOM 0 HA ASN A 128 5.353 -3.820 2.165 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.294 -2.922 4.922 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.948 -4.598 4.544 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.007 -3.172 2.178 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.397 -2.447 2.128 1.00 0.26 H new ATOM 1294 N GLU A 129 3.513 -2.481 4.558 1.00 0.13 N ATOM 1295 CA GLU A 129 2.174 -2.450 5.118 1.00 0.16 C ATOM 1296 C GLU A 129 1.160 -2.359 4.012 1.00 0.15 C ATOM 1297 O GLU A 129 0.353 -3.252 3.838 1.00 0.17 O ATOM 1298 CB GLU A 129 1.997 -1.263 6.063 1.00 0.23 C ATOM 1299 CG GLU A 129 2.669 -1.462 7.401 1.00 0.29 C ATOM 1300 CD GLU A 129 2.303 -0.395 8.413 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.097 -0.104 8.571 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.218 0.138 9.074 1.00 1.03 O ATOM 0 H GLU A 129 4.146 -1.780 4.944 1.00 0.13 H new ATOM 0 HA GLU A 129 2.025 -3.369 5.684 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.401 -0.367 5.591 1.00 0.23 H new ATOM 0 HB3 GLU A 129 0.933 -1.088 6.221 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.395 -2.440 7.797 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.750 -1.467 7.261 1.00 0.29 H new ATOM 1309 N LEU A 130 1.261 -1.294 3.242 1.00 0.14 N ATOM 1310 CA LEU A 130 0.366 -1.034 2.127 1.00 0.15 C ATOM 1311 C LEU A 130 0.223 -2.267 1.224 1.00 0.15 C ATOM 1312 O LEU A 130 -0.887 -2.634 0.849 1.00 0.18 O ATOM 1313 CB LEU A 130 0.929 0.147 1.348 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.070 0.979 0.560 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.346 1.191 1.360 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.568 2.315 0.224 1.00 0.12 C ATOM 0 H LEU A 130 1.974 -0.576 3.372 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.632 -0.803 2.499 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.442 0.805 2.049 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.681 -0.229 0.655 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.336 0.453 -0.357 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.046 1.789 0.777 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.797 0.225 1.589 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.111 1.711 2.289 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.138 2.923 -0.342 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.836 2.832 1.145 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.465 2.150 -0.373 1.00 0.12 H new ATOM 1328 N CYS A 131 1.344 -2.913 0.901 1.00 0.14 N ATOM 1329 CA CYS A 131 1.327 -4.141 0.103 1.00 0.17 C ATOM 1330 C CYS A 131 0.507 -5.240 0.780 1.00 0.18 C ATOM 1331 O CYS A 131 -0.392 -5.821 0.167 1.00 0.21 O ATOM 1332 CB CYS A 131 2.753 -4.653 -0.132 1.00 0.20 C ATOM 1333 SG CYS A 131 3.749 -3.642 -1.248 1.00 0.53 S ATOM 0 H CYS A 131 2.276 -2.607 1.180 1.00 0.14 H new ATOM 0 HA CYS A 131 0.863 -3.896 -0.852 1.00 0.17 H new ATOM 0 HB2 CYS A 131 3.263 -4.718 0.829 1.00 0.20 H new ATOM 0 HB3 CYS A 131 2.699 -5.665 -0.533 1.00 0.20 H new ATOM 0 HG CYS A 131 4.030 -4.325 -2.318 1.00 0.53 H new ATOM 1339 N THR A 132 0.811 -5.516 2.045 1.00 0.19 N ATOM 1340 CA THR A 132 0.133 -6.581 2.773 1.00 0.23 C ATOM 1341 C THR A 132 -1.321 -6.200 3.005 1.00 0.21 C ATOM 1342 O THR A 132 -2.221 -7.019 2.871 1.00 0.22 O ATOM 1343 CB THR A 132 0.800 -6.851 4.133 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.227 -6.886 3.984 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.321 -8.174 4.712 1.00 0.36 C ATOM 0 H THR A 132 1.520 -5.019 2.584 1.00 0.19 H new ATOM 0 HA THR A 132 0.197 -7.487 2.170 1.00 0.23 H new ATOM 0 HB THR A 132 0.524 -6.046 4.814 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.566 -5.974 3.863 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.804 -8.347 5.674 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.760 -8.141 4.850 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.575 -8.984 4.028 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.516 -4.927 3.308 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.819 -4.344 3.580 1.00 0.17 C ATOM 1355 C VAL A 133 -3.794 -4.660 2.463 1.00 0.18 C ATOM 1356 O VAL A 133 -4.967 -4.954 2.706 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.673 -2.810 3.746 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -3.970 -2.078 3.467 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.168 -2.467 5.142 1.00 0.18 C ATOM 0 H VAL A 133 -0.753 -4.254 3.373 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.211 -4.773 4.502 1.00 0.17 H new ATOM 0 HB VAL A 133 -1.943 -2.478 3.008 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.818 -1.006 3.596 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.288 -2.279 2.444 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.738 -2.422 4.160 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.072 -1.386 5.239 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.874 -2.837 5.885 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.196 -2.933 5.302 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.291 -4.628 1.246 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.104 -4.893 0.086 1.00 0.20 C ATOM 1371 C LEU A 134 -4.663 -6.313 0.125 1.00 0.23 C ATOM 1372 O LEU A 134 -5.869 -6.501 0.072 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.280 -4.644 -1.177 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.751 -3.211 -1.287 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.884 -3.018 -2.510 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -3.896 -2.229 -1.306 1.00 0.20 C ATOM 0 H LEU A 134 -2.315 -4.419 1.038 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.959 -4.217 0.081 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.438 -5.336 -1.195 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.893 -4.865 -2.051 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.130 -3.027 -0.410 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.531 -1.987 -2.547 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -1.029 -3.692 -2.460 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.465 -3.235 -3.406 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.504 -1.215 -1.384 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.539 -2.437 -2.161 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.473 -2.325 -0.386 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.811 -7.312 0.287 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.291 -8.691 0.279 1.00 0.29 C ATOM 1390 C LYS A 135 -4.879 -9.097 1.624 1.00 0.30 C ATOM 1391 O LYS A 135 -5.757 -9.952 1.696 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.207 -9.674 -0.148 1.00 0.33 C ATOM 1393 CG LYS A 135 -3.337 -10.094 -1.603 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.745 -10.604 -1.906 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.912 -11.019 -3.362 1.00 0.91 C ATOM 1396 NZ LYS A 135 -4.370 -12.376 -3.642 1.00 1.59 N ATOM 0 H LYS A 135 -2.806 -7.203 0.423 1.00 0.25 H new ATOM 0 HA LYS A 135 -5.088 -8.731 -0.463 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.228 -9.220 0.009 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.254 -10.559 0.487 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -3.106 -9.248 -2.251 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.609 -10.874 -1.826 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.967 -11.454 -1.261 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -5.470 -9.825 -1.668 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -5.970 -10.995 -3.623 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -4.410 -10.293 -4.002 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -4.511 -12.606 -4.647 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -3.354 -12.396 -3.421 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -4.866 -13.076 -3.054 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.385 -8.483 2.685 1.00 0.27 N ATOM 1411 CA ALA A 136 -4.837 -8.797 4.033 1.00 0.30 C ATOM 1412 C ALA A 136 -6.301 -8.442 4.241 1.00 0.31 C ATOM 1413 O ALA A 136 -6.963 -9.023 5.096 1.00 0.37 O ATOM 1414 CB ALA A 136 -3.997 -8.072 5.069 1.00 0.33 C ATOM 0 H ALA A 136 -3.667 -7.760 2.640 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.722 -9.874 4.157 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.354 -8.323 6.068 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -2.955 -8.376 4.970 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.078 -6.996 4.915 1.00 0.33 H new ATOM 1420 N HIS A 137 -6.808 -7.466 3.498 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.165 -7.026 3.718 1.00 0.35 C ATOM 1422 C HIS A 137 -8.998 -7.019 2.437 1.00 0.35 C ATOM 1423 O HIS A 137 -10.193 -6.734 2.478 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.167 -5.647 4.362 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.220 -5.511 5.521 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -5.977 -4.984 5.578 1.00 0.48 N flip ATOM 1427 CD2 HIS A 137 -7.488 -5.983 6.787 1.00 0.43 C flip ATOM 1428 CE1 HIS A 137 -5.516 -5.149 6.858 1.00 0.51 C flip ATOM 1429 NE2 HIS A 137 -6.447 -5.755 7.568 1.00 0.49 N flip ATOM 0 H HIS A 137 -6.307 -6.978 2.755 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.632 -7.745 4.391 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -7.909 -4.904 3.607 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.177 -5.418 4.703 1.00 0.39 H new ATOM 0 HD1 HIS A 137 -5.473 -4.543 4.808 1.00 0.48 H new ATOM 0 HD2 HIS A 137 -8.405 -6.464 7.093 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -4.550 -4.835 7.224 1.00 0.51 H new ATOM 1438 N SER A 138 -8.383 -7.331 1.304 1.00 0.31 N ATOM 1439 CA SER A 138 -9.119 -7.407 0.051 1.00 0.33 C ATOM 1440 C SER A 138 -8.659 -8.602 -0.770 1.00 0.55 C ATOM 1441 O SER A 138 -7.650 -9.234 -0.465 1.00 1.05 O ATOM 1442 CB SER A 138 -8.953 -6.124 -0.780 1.00 0.38 C ATOM 1443 OG SER A 138 -7.756 -6.143 -1.523 1.00 1.00 O ATOM 0 H SER A 138 -7.386 -7.534 1.227 1.00 0.31 H new ATOM 0 HA SER A 138 -10.173 -7.523 0.303 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.801 -6.015 -1.456 1.00 0.38 H new ATOM 0 HB3 SER A 138 -8.959 -5.257 -0.119 1.00 0.38 H new ATOM 0 HG SER A 138 -7.072 -6.642 -1.029 1.00 1.00 H new ATOM 1624 N SER B 27 4.126 -10.988 2.833 1.00 0.55 N ATOM 1625 CA SER B 27 3.695 -9.769 3.481 1.00 0.54 C ATOM 1626 C SER B 27 4.700 -8.642 3.237 1.00 0.44 C ATOM 1627 O SER B 27 4.980 -8.274 2.097 1.00 0.53 O ATOM 1628 CB SER B 27 3.519 -10.031 4.977 1.00 0.75 C ATOM 1629 OG SER B 27 4.658 -10.686 5.521 1.00 1.37 O ATOM 0 HA SER B 27 2.741 -9.454 3.060 1.00 0.54 H new ATOM 0 HB2 SER B 27 3.356 -9.087 5.498 1.00 0.75 H new ATOM 0 HB3 SER B 27 2.632 -10.643 5.140 1.00 0.75 H new ATOM 0 HG SER B 27 5.145 -10.066 6.104 1.00 1.37 H new ATOM 1635 N ASP B 28 5.238 -8.105 4.319 1.00 0.43 N ATOM 1636 CA ASP B 28 6.268 -7.083 4.257 1.00 0.37 C ATOM 1637 C ASP B 28 7.538 -7.657 3.639 1.00 0.33 C ATOM 1638 O ASP B 28 8.266 -6.974 2.921 1.00 0.31 O ATOM 1639 CB ASP B 28 6.540 -6.539 5.673 1.00 0.44 C ATOM 1640 CG ASP B 28 6.806 -7.632 6.695 1.00 0.95 C ATOM 1641 OD1 ASP B 28 5.960 -8.547 6.839 1.00 1.07 O ATOM 1642 OD2 ASP B 28 7.850 -7.577 7.374 1.00 1.83 O ATOM 0 H ASP B 28 4.972 -8.367 5.268 1.00 0.43 H new ATOM 0 HA ASP B 28 5.928 -6.260 3.628 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.397 -5.867 5.638 1.00 0.44 H new ATOM 0 HB3 ASP B 28 5.684 -5.947 5.998 1.00 0.44 H new ATOM 1647 N SER B 29 7.755 -8.940 3.868 1.00 0.36 N ATOM 1648 CA SER B 29 8.949 -9.618 3.395 1.00 0.34 C ATOM 1649 C SER B 29 9.039 -9.626 1.878 1.00 0.33 C ATOM 1650 O SER B 29 10.130 -9.687 1.317 1.00 0.34 O ATOM 1651 CB SER B 29 8.965 -11.037 3.928 1.00 0.39 C ATOM 1652 OG SER B 29 7.714 -11.669 3.716 1.00 1.07 O ATOM 0 H SER B 29 7.111 -9.539 4.385 1.00 0.36 H new ATOM 0 HA SER B 29 9.816 -9.071 3.765 1.00 0.34 H new ATOM 0 HB2 SER B 29 9.753 -11.606 3.435 1.00 0.39 H new ATOM 0 HB3 SER B 29 9.197 -11.028 4.993 1.00 0.39 H new ATOM 0 HG SER B 29 7.746 -12.584 4.066 1.00 1.07 H new ATOM 1658 N GLU B 30 7.887 -9.545 1.231 1.00 0.35 N ATOM 1659 CA GLU B 30 7.799 -9.549 -0.226 1.00 0.37 C ATOM 1660 C GLU B 30 8.654 -8.430 -0.820 1.00 0.34 C ATOM 1661 O GLU B 30 9.259 -8.575 -1.882 1.00 0.39 O ATOM 1662 CB GLU B 30 6.342 -9.394 -0.646 1.00 0.45 C ATOM 1663 CG GLU B 30 6.105 -9.616 -2.119 1.00 0.68 C ATOM 1664 CD GLU B 30 4.669 -10.003 -2.439 1.00 1.37 C ATOM 1665 OE1 GLU B 30 3.776 -9.130 -2.381 1.00 2.33 O ATOM 1666 OE2 GLU B 30 4.427 -11.190 -2.757 1.00 1.57 O ATOM 0 H GLU B 30 6.984 -9.474 1.699 1.00 0.35 H new ATOM 0 HA GLU B 30 8.180 -10.497 -0.605 1.00 0.37 H new ATOM 0 HB2 GLU B 30 5.734 -10.099 -0.080 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.002 -8.393 -0.380 1.00 0.45 H new ATOM 0 HG2 GLU B 30 6.360 -8.707 -2.663 1.00 0.68 H new ATOM 0 HG3 GLU B 30 6.774 -10.399 -2.475 1.00 0.68 H new ATOM 1673 N LEU B 31 8.707 -7.325 -0.103 1.00 0.28 N ATOM 1674 CA LEU B 31 9.514 -6.183 -0.472 1.00 0.24 C ATOM 1675 C LEU B 31 10.967 -6.449 -0.139 1.00 0.25 C ATOM 1676 O LEU B 31 11.864 -6.299 -0.968 1.00 0.26 O ATOM 1677 CB LEU B 31 9.090 -4.972 0.327 1.00 0.20 C ATOM 1678 CG LEU B 31 7.692 -4.397 0.082 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.593 -3.725 -1.269 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.621 -5.448 0.244 1.00 0.24 C ATOM 0 H LEU B 31 8.184 -7.195 0.763 1.00 0.28 H new ATOM 0 HA LEU B 31 9.385 -6.008 -1.540 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.164 -5.228 1.384 1.00 0.20 H new ATOM 0 HB3 LEU B 31 9.814 -4.179 0.139 1.00 0.20 H new ATOM 0 HG LEU B 31 7.525 -3.635 0.843 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.586 -3.330 -1.406 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.314 -2.909 -1.323 1.00 0.19 H new ATOM 0 HD13 LEU B 31 7.807 -4.451 -2.053 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.643 -5.002 0.062 1.00 0.24 H new ATOM 0 HD22 LEU B 31 6.791 -6.254 -0.470 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.655 -5.849 1.257 1.00 0.24 H new ATOM 1692 N GLU B 32 11.158 -6.846 1.114 1.00 0.26 N ATOM 1693 CA GLU B 32 12.479 -7.059 1.715 1.00 0.29 C ATOM 1694 C GLU B 32 13.369 -7.946 0.860 1.00 0.33 C ATOM 1695 O GLU B 32 14.594 -7.881 0.953 1.00 0.38 O ATOM 1696 CB GLU B 32 12.351 -7.701 3.095 1.00 0.29 C ATOM 1697 CG GLU B 32 11.260 -7.119 3.976 1.00 0.26 C ATOM 1698 CD GLU B 32 11.336 -7.658 5.391 1.00 0.34 C ATOM 1699 OE1 GLU B 32 10.845 -8.779 5.638 1.00 0.59 O ATOM 1700 OE2 GLU B 32 11.854 -6.949 6.280 1.00 0.47 O ATOM 0 H GLU B 32 10.388 -7.034 1.756 1.00 0.26 H new ATOM 0 HA GLU B 32 12.937 -6.073 1.794 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.163 -8.767 2.967 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.305 -7.605 3.613 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.348 -6.033 3.995 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.284 -7.352 3.549 1.00 0.26 H new ATOM 1707 N GLN B 33 12.734 -8.771 0.050 1.00 0.35 N ATOM 1708 CA GLN B 33 13.427 -9.716 -0.822 1.00 0.40 C ATOM 1709 C GLN B 33 14.541 -9.037 -1.602 1.00 0.39 C ATOM 1710 O GLN B 33 15.677 -9.509 -1.631 1.00 0.48 O ATOM 1711 CB GLN B 33 12.442 -10.337 -1.801 1.00 0.43 C ATOM 1712 CG GLN B 33 11.259 -10.992 -1.137 1.00 0.47 C ATOM 1713 CD GLN B 33 11.652 -12.154 -0.252 1.00 0.57 C ATOM 1714 OE1 GLN B 33 11.749 -13.293 -0.705 1.00 0.66 O ATOM 1715 NE2 GLN B 33 11.856 -11.876 1.023 1.00 0.57 N ATOM 0 H GLN B 33 11.718 -8.809 -0.026 1.00 0.35 H new ATOM 0 HA GLN B 33 13.866 -10.489 -0.191 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.084 -9.564 -2.481 1.00 0.43 H new ATOM 0 HB3 GLN B 33 12.964 -11.078 -2.407 1.00 0.43 H new ATOM 0 HG2 GLN B 33 10.727 -10.251 -0.541 1.00 0.47 H new ATOM 0 HG3 GLN B 33 10.567 -11.342 -1.902 1.00 0.47 H new ATOM 0 HE21 GLN B 33 11.765 -10.916 1.357 1.00 0.57 H new ATOM 0 HE22 GLN B 33 12.105 -12.621 1.674 1.00 0.57 H new ATOM 1724 N TYR B 34 14.209 -7.917 -2.215 1.00 0.32 N ATOM 1725 CA TYR B 34 15.146 -7.224 -3.076 1.00 0.32 C ATOM 1726 C TYR B 34 15.475 -5.824 -2.572 1.00 0.30 C ATOM 1727 O TYR B 34 16.534 -5.281 -2.898 1.00 0.37 O ATOM 1728 CB TYR B 34 14.604 -7.154 -4.503 1.00 0.32 C ATOM 1729 CG TYR B 34 13.093 -7.191 -4.606 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.290 -6.346 -3.850 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.470 -8.068 -5.483 1.00 0.38 C ATOM 1732 CE1 TYR B 34 10.928 -6.373 -3.957 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.097 -8.105 -5.596 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.330 -7.255 -4.833 1.00 0.34 C ATOM 1735 OH TYR B 34 8.964 -7.285 -4.954 1.00 0.40 O ATOM 0 H TYR B 34 13.297 -7.468 -2.132 1.00 0.32 H new ATOM 0 HA TYR B 34 16.073 -7.798 -3.065 1.00 0.32 H new ATOM 0 HB2 TYR B 34 14.965 -6.238 -4.970 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.015 -7.986 -5.075 1.00 0.32 H new ATOM 0 HD1 TYR B 34 12.752 -5.653 -3.163 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.071 -8.732 -6.087 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.323 -5.707 -3.359 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.626 -8.797 -6.279 1.00 0.42 H new ATOM 0 HH TYR B 34 8.575 -6.536 -4.456 1.00 0.40 H new ATOM 1745 N PHE B 35 14.590 -5.227 -1.785 1.00 0.27 N ATOM 1746 CA PHE B 35 14.819 -3.867 -1.332 1.00 0.26 C ATOM 1747 C PHE B 35 14.221 -3.610 0.037 1.00 0.25 C ATOM 1748 O PHE B 35 13.286 -4.284 0.444 1.00 0.25 O ATOM 1749 CB PHE B 35 14.275 -2.845 -2.341 1.00 0.25 C ATOM 1750 CG PHE B 35 12.815 -2.960 -2.684 1.00 0.21 C ATOM 1751 CD1 PHE B 35 11.838 -2.838 -1.713 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.426 -3.161 -3.998 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.506 -2.919 -2.042 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.091 -3.247 -4.334 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.128 -3.127 -3.353 1.00 0.18 C ATOM 0 H PHE B 35 13.725 -5.654 -1.454 1.00 0.27 H new ATOM 0 HA PHE B 35 15.899 -3.746 -1.253 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.456 -1.845 -1.947 1.00 0.25 H new ATOM 0 HB3 PHE B 35 14.851 -2.934 -3.262 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.125 -2.677 -0.684 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.177 -3.251 -4.769 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.754 -2.820 -1.273 1.00 0.16 H new ATOM 0 HE2 PHE B 35 10.800 -3.408 -5.362 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.081 -3.196 -3.610 1.00 0.18 H new ATOM 1765 N THR B 36 14.807 -2.640 0.731 1.00 0.27 N ATOM 1766 CA THR B 36 14.308 -2.108 2.003 1.00 0.27 C ATOM 1767 C THR B 36 15.252 -1.016 2.498 1.00 0.32 C ATOM 1768 O THR B 36 16.069 -0.507 1.728 1.00 0.45 O ATOM 1769 CB THR B 36 14.134 -3.184 3.104 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.073 -4.248 2.921 1.00 0.31 O ATOM 1771 CG2 THR B 36 12.710 -3.719 3.112 1.00 0.27 C ATOM 0 H THR B 36 15.666 -2.187 0.419 1.00 0.27 H new ATOM 0 HA THR B 36 13.314 -1.707 1.806 1.00 0.27 H new ATOM 0 HB THR B 36 14.328 -2.719 4.071 1.00 0.27 H new ATOM 0 HG1 THR B 36 14.950 -4.918 3.626 1.00 0.31 H new ATOM 0 HG21 THR B 36 12.609 -4.473 3.892 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.015 -2.902 3.305 1.00 0.27 H new ATOM 0 HG23 THR B 36 12.484 -4.166 2.144 1.00 0.27 H new ATOM 1779 N ALA B 37 15.142 -0.655 3.766 1.00 0.32 N ATOM 1780 CA ALA B 37 15.969 0.403 4.332 1.00 0.35 C ATOM 1781 C ALA B 37 16.712 -0.092 5.561 1.00 0.43 C ATOM 1782 O ALA B 37 16.793 -1.297 5.801 1.00 0.53 O ATOM 1783 CB ALA B 37 15.116 1.612 4.694 1.00 0.29 C ATOM 0 H ALA B 37 14.488 -1.078 4.425 1.00 0.32 H new ATOM 0 HA ALA B 37 16.699 0.698 3.579 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.750 2.392 5.115 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.622 1.990 3.799 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.364 1.320 5.427 1.00 0.29 H new ATOM 1789 N ARG B 38 17.257 0.849 6.320 1.00 0.44 N ATOM 1790 CA ARG B 38 17.951 0.546 7.565 1.00 0.52 C ATOM 1791 C ARG B 38 17.092 -0.288 8.514 1.00 0.56 C ATOM 1792 O ARG B 38 17.556 -1.294 9.055 1.00 0.67 O ATOM 1793 CB ARG B 38 18.405 1.840 8.262 1.00 0.57 C ATOM 1794 CG ARG B 38 17.285 2.700 8.841 1.00 0.67 C ATOM 1795 CD ARG B 38 16.758 3.689 7.830 1.00 0.93 C ATOM 1796 NE ARG B 38 17.755 4.698 7.477 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.708 5.449 6.375 1.00 2.28 C ATOM 1798 NH1 ARG B 38 16.707 5.316 5.511 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.669 6.325 6.131 1.00 2.94 N ATOM 0 H ARG B 38 17.231 1.843 6.091 1.00 0.44 H new ATOM 0 HA ARG B 38 18.828 -0.047 7.306 1.00 0.52 H new ATOM 0 HB2 ARG B 38 19.091 1.577 9.067 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.968 2.440 7.546 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.472 2.058 9.180 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.653 3.236 9.716 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.447 3.157 6.931 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.872 4.180 8.232 1.00 0.93 H new ATOM 0 HE ARG B 38 18.538 4.837 8.115 1.00 1.60 H new ATOM 0 HH11 ARG B 38 15.967 4.636 5.688 1.00 2.75 H new ATOM 0 HH12 ARG B 38 16.678 5.894 4.671 1.00 2.75 H new ATOM 0 HH21 ARG B 38 19.445 6.426 6.785 1.00 2.94 H new ATOM 0 HH22 ARG B 38 18.634 6.899 5.289 1.00 2.94 H new ATOM 1813 N TRP B 39 15.844 0.131 8.691 1.00 0.54 N ATOM 1814 CA TRP B 39 14.902 -0.530 9.583 1.00 0.64 C ATOM 1815 C TRP B 39 15.505 -0.776 10.964 1.00 0.85 C ATOM 1816 O TRP B 39 15.730 0.212 11.690 1.00 1.41 O ATOM 1817 CB TRP B 39 14.421 -1.833 8.952 1.00 0.60 C ATOM 1818 CG TRP B 39 13.572 -1.599 7.753 1.00 0.43 C ATOM 1819 CD1 TRP B 39 13.736 -0.630 6.818 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.426 -2.342 7.370 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.744 -0.712 5.873 1.00 0.23 N ATOM 1822 CE2 TRP B 39 11.932 -1.768 6.188 1.00 0.23 C ATOM 1823 CE3 TRP B 39 11.769 -3.439 7.912 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 10.808 -2.263 5.542 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 10.659 -3.923 7.268 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.188 -3.337 6.094 1.00 0.25 C ATOM 1827 OXT TRP B 39 15.732 -1.947 11.324 1.00 1.45 O ATOM 0 H TRP B 39 15.456 0.945 8.215 1.00 0.54 H new ATOM 0 HA TRP B 39 14.047 0.131 9.726 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.283 -2.438 8.672 1.00 0.60 H new ATOM 0 HB3 TRP B 39 13.856 -2.404 9.689 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.532 0.100 6.817 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.631 -0.091 5.072 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.125 -3.901 8.821 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.440 -1.810 4.633 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.139 -4.776 7.679 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.311 -3.746 5.614 1.00 0.25 H new