USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=24 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: A 132 THR OG1 : rot 76:sc= 0.945 USER MOD Set 1.2: B 27 SER OG : rot -111:sc= 0.79 USER MOD Set 2.1: A 81 HIS : no HD1:sc= -0.131 X(o=-0.36,f=-0.18) USER MOD Set 2.2: A 124 TYR OH : rot 30:sc= -0.233 USER MOD Set 3.1: A 74 CYS SG : rot -53:sc= 0.503 USER MOD Set 3.2: A 78 THR OG1 : rot -30:sc= 2.12 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 1.18 K(o=1.2,f=-4.5) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 0.484 (180deg=0.468) USER MOD Single : A 75 LYS NZ :NH3+ 161:sc= -0.0159 (180deg=-0.173) USER MOD Single : A 76 MET CE :methyl -129:sc= -1.1 (180deg=-3.88!) USER MOD Single : A 77 GLN : amide:sc= -4.2! C(o=-4.2!,f=-5.8!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.583! X(o=-0.58!,f=-0.083) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 93 GLN : amide:sc= -1.26! K(o=-1.3!,f=0.054) USER MOD Single : A 96 HIS : no HD1:sc= -0.635 K(o=-0.63,f=-5.9!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0.0437 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0.384 K(o=0.38,f=-0.25) USER MOD Single : A 110 SER OG : rot -77:sc= 0.739 USER MOD Single : A 114 SER OG : rot 105:sc= 0.825 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 167:sc= -0.0336 (180deg=-0.255) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -12.7! C(o=-13!,f=-15!) USER MOD Single : A 131 CYS SG : rot 165:sc= -1.47 USER MOD Single : A 135 LYS NZ :NH3+ -124:sc= 0.2 (180deg=0) USER MOD Single : A 137 HIS : no HD1:sc= -0.482 K(o=-0.48,f=0.13) USER MOD Single : A 138 SER OG : rot -75:sc= 1.56 USER MOD Single : B 29 SER OG : rot 180:sc= 0.0839 USER MOD Single : B 33 GLN : amide:sc= 0.706 K(o=0.71,f=-0.029) USER MOD Single : B 34 TYR OH : rot 24:sc= 0.486 USER MOD Single : B 36 THR OG1 : rot 180:sc= -0.0016 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -14.887 6.232 -1.448 1.00 0.57 N ATOM 118 CA TYR A 59 -13.512 6.432 -1.053 1.00 0.44 C ATOM 119 C TYR A 59 -12.560 6.102 -2.189 1.00 0.41 C ATOM 120 O TYR A 59 -11.345 6.117 -2.011 1.00 0.42 O ATOM 121 CB TYR A 59 -13.229 5.529 0.135 1.00 0.66 C ATOM 122 CG TYR A 59 -14.307 5.592 1.182 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.432 6.673 2.049 1.00 1.06 C ATOM 124 CD2 TYR A 59 -15.209 4.568 1.281 1.00 1.04 C ATOM 125 CE1 TYR A 59 -15.447 6.713 2.986 1.00 1.30 C ATOM 126 CE2 TYR A 59 -16.231 4.607 2.204 1.00 1.27 C ATOM 127 CZ TYR A 59 -16.229 5.738 3.161 1.00 1.34 C ATOM 128 OH TYR A 59 -17.372 5.725 3.942 1.00 1.64 O ATOM 0 HA TYR A 59 -13.359 7.479 -0.789 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -13.125 4.501 -0.212 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -12.276 5.812 0.583 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -13.728 7.490 1.989 1.00 1.06 H new ATOM 0 HD2 TYR A 59 -15.118 3.715 0.625 1.00 1.04 H new ATOM 0 HE1 TYR A 59 -15.574 7.603 3.585 1.00 1.30 H new ATOM 0 HE2 TYR A 59 -16.999 3.848 2.229 1.00 1.27 H new ATOM 0 HH TYR A 59 -17.789 4.839 3.897 1.00 1.64 H new ATOM 138 N LYS A 60 -13.116 5.798 -3.353 1.00 0.42 N ATOM 139 CA LYS A 60 -12.305 5.426 -4.499 1.00 0.43 C ATOM 140 C LYS A 60 -11.355 6.562 -4.883 1.00 0.40 C ATOM 141 O LYS A 60 -10.146 6.415 -4.762 1.00 0.41 O ATOM 142 CB LYS A 60 -13.186 4.996 -5.682 1.00 0.52 C ATOM 143 CG LYS A 60 -14.238 6.015 -6.105 1.00 1.16 C ATOM 144 CD LYS A 60 -14.854 5.657 -7.452 1.00 1.35 C ATOM 145 CE LYS A 60 -15.545 4.304 -7.419 1.00 1.75 C ATOM 146 NZ LYS A 60 -15.977 3.867 -8.770 1.00 2.29 N ATOM 0 H LYS A 60 -14.121 5.802 -3.527 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.694 4.567 -4.222 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -12.543 4.784 -6.536 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.688 4.064 -5.422 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -15.021 6.067 -5.348 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -13.785 7.005 -6.163 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -15.573 6.425 -7.738 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -14.076 5.649 -8.216 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -14.868 3.561 -6.997 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -16.412 4.356 -6.760 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -16.444 2.940 -8.702 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -16.643 4.562 -9.163 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -15.147 3.792 -9.393 1.00 2.29 H new ATOM 160 N LEU A 61 -11.907 7.704 -5.287 1.00 0.45 N ATOM 161 CA LEU A 61 -11.102 8.870 -5.662 1.00 0.49 C ATOM 162 C LEU A 61 -10.129 9.245 -4.549 1.00 0.38 C ATOM 163 O LEU A 61 -8.997 9.658 -4.806 1.00 0.41 O ATOM 164 CB LEU A 61 -11.997 10.077 -5.980 1.00 0.62 C ATOM 165 CG LEU A 61 -13.026 10.446 -4.906 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.273 11.947 -4.898 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.338 9.716 -5.146 1.00 0.81 C ATOM 0 H LEU A 61 -12.914 7.849 -5.364 1.00 0.45 H new ATOM 0 HA LEU A 61 -10.536 8.600 -6.554 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -11.358 10.942 -6.157 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -12.527 9.877 -6.911 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.625 10.145 -3.938 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -14.006 12.191 -4.129 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.339 12.468 -4.687 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -13.651 12.259 -5.872 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -15.055 9.992 -4.373 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -14.734 9.992 -6.123 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -14.167 8.640 -5.115 1.00 0.81 H new ATOM 179 N GLU A 62 -10.591 9.113 -3.316 1.00 0.33 N ATOM 180 CA GLU A 62 -9.768 9.367 -2.150 1.00 0.30 C ATOM 181 C GLU A 62 -8.551 8.471 -2.116 1.00 0.26 C ATOM 182 O GLU A 62 -7.430 8.961 -2.131 1.00 0.32 O ATOM 183 CB GLU A 62 -10.622 9.179 -0.893 1.00 0.41 C ATOM 184 CG GLU A 62 -11.479 10.386 -0.613 1.00 0.50 C ATOM 185 CD GLU A 62 -12.464 10.184 0.520 1.00 1.29 C ATOM 186 OE1 GLU A 62 -13.532 9.583 0.283 1.00 2.00 O ATOM 187 OE2 GLU A 62 -12.200 10.661 1.643 1.00 1.51 O ATOM 0 H GLU A 62 -11.546 8.827 -3.098 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.399 10.392 -2.195 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -11.258 8.302 -1.013 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.973 8.988 -0.038 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -10.834 11.232 -0.375 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -12.028 10.649 -1.517 1.00 0.50 H new ATOM 194 N ASN A 63 -8.768 7.175 -2.165 1.00 0.24 N ATOM 195 CA ASN A 63 -7.681 6.217 -2.006 1.00 0.23 C ATOM 196 C ASN A 63 -6.845 6.102 -3.277 1.00 0.21 C ATOM 197 O ASN A 63 -5.689 5.691 -3.223 1.00 0.22 O ATOM 198 CB ASN A 63 -8.227 4.851 -1.592 1.00 0.33 C ATOM 199 CG ASN A 63 -8.878 4.874 -0.219 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.469 5.622 0.666 1.00 2.24 O ATOM 201 ND2 ASN A 63 -9.901 4.056 -0.034 1.00 0.90 N ATOM 0 H ASN A 63 -9.685 6.754 -2.313 1.00 0.24 H new ATOM 0 HA ASN A 63 -7.027 6.585 -1.215 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -8.956 4.516 -2.330 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -7.415 4.124 -1.593 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.378 4.032 0.867 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -10.212 3.449 -0.792 1.00 0.90 H new ATOM 208 N GLU A 64 -7.424 6.464 -4.417 1.00 0.23 N ATOM 209 CA GLU A 64 -6.686 6.486 -5.668 1.00 0.29 C ATOM 210 C GLU A 64 -5.605 7.558 -5.639 1.00 0.29 C ATOM 211 O GLU A 64 -4.432 7.268 -5.881 1.00 0.35 O ATOM 212 CB GLU A 64 -7.628 6.722 -6.845 1.00 0.38 C ATOM 213 CG GLU A 64 -8.613 5.592 -7.066 1.00 0.41 C ATOM 214 CD GLU A 64 -9.289 5.658 -8.422 1.00 0.56 C ATOM 215 OE1 GLU A 64 -8.593 5.511 -9.449 1.00 0.88 O ATOM 216 OE2 GLU A 64 -10.522 5.863 -8.473 1.00 0.69 O ATOM 0 H GLU A 64 -8.401 6.745 -4.497 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.208 5.515 -5.793 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.180 7.647 -6.679 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.038 6.861 -7.751 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.093 4.639 -6.971 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.373 5.620 -6.285 1.00 0.41 H new ATOM 223 N LYS A 65 -5.985 8.793 -5.309 1.00 0.27 N ATOM 224 CA LYS A 65 -5.009 9.882 -5.266 1.00 0.30 C ATOM 225 C LYS A 65 -4.124 9.711 -4.050 1.00 0.23 C ATOM 226 O LYS A 65 -2.951 10.078 -4.046 1.00 0.30 O ATOM 227 CB LYS A 65 -5.689 11.238 -5.204 1.00 0.39 C ATOM 228 CG LYS A 65 -6.808 11.405 -6.197 1.00 0.65 C ATOM 229 CD LYS A 65 -7.291 12.846 -6.253 1.00 1.23 C ATOM 230 CE LYS A 65 -7.742 13.342 -4.887 1.00 2.14 C ATOM 231 NZ LYS A 65 -8.935 12.608 -4.390 1.00 2.98 N ATOM 0 H LYS A 65 -6.940 9.061 -5.072 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.415 9.842 -6.179 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.082 11.391 -4.199 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -4.944 12.015 -5.376 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.468 11.095 -7.185 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.638 10.752 -5.926 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -6.490 13.484 -6.625 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -8.117 12.926 -6.960 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -6.925 13.230 -4.174 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -7.970 14.406 -4.946 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -9.176 12.944 -3.436 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -9.738 12.776 -5.030 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -8.727 11.590 -4.357 1.00 2.98 H new ATOM 245 N LEU A 66 -4.721 9.151 -3.021 1.00 0.16 N ATOM 246 CA LEU A 66 -4.035 8.849 -1.780 1.00 0.15 C ATOM 247 C LEU A 66 -2.880 7.883 -1.989 1.00 0.15 C ATOM 248 O LEU A 66 -1.752 8.150 -1.583 1.00 0.18 O ATOM 249 CB LEU A 66 -5.029 8.238 -0.817 1.00 0.15 C ATOM 250 CG LEU A 66 -5.302 9.066 0.411 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.623 8.650 1.054 1.00 0.24 C ATOM 252 CD2 LEU A 66 -4.130 8.906 1.353 1.00 0.22 C ATOM 0 H LEU A 66 -5.707 8.889 -3.020 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.622 9.776 -1.382 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.969 8.071 -1.343 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.660 7.261 -0.506 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.406 10.120 0.151 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.804 9.259 1.940 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.436 8.795 0.342 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.574 7.599 1.340 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -4.303 9.497 2.252 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -4.022 7.856 1.624 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -3.219 9.250 0.862 1.00 0.22 H new ATOM 264 N PHE A 67 -3.182 6.746 -2.591 1.00 0.14 N ATOM 265 CA PHE A 67 -2.178 5.737 -2.869 1.00 0.15 C ATOM 266 C PHE A 67 -1.006 6.323 -3.640 1.00 0.17 C ATOM 267 O PHE A 67 0.155 6.048 -3.332 1.00 0.20 O ATOM 268 CB PHE A 67 -2.778 4.580 -3.657 1.00 0.15 C ATOM 269 CG PHE A 67 -2.074 3.294 -3.391 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.963 2.914 -4.119 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.525 2.476 -2.383 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.314 1.726 -3.841 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.888 1.294 -2.096 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.777 0.914 -2.826 1.00 0.19 C ATOM 0 H PHE A 67 -4.123 6.498 -2.898 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.815 5.367 -1.910 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.832 4.475 -3.400 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.731 4.805 -4.723 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.599 3.551 -4.912 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.392 2.767 -1.809 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.552 1.434 -4.416 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.254 0.662 -1.301 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.273 -0.015 -2.603 1.00 0.19 H new ATOM 284 N GLU A 68 -1.304 7.140 -4.637 1.00 0.18 N ATOM 285 CA GLU A 68 -0.250 7.729 -5.436 1.00 0.23 C ATOM 286 C GLU A 68 0.502 8.812 -4.663 1.00 0.19 C ATOM 287 O GLU A 68 1.652 9.089 -4.980 1.00 0.24 O ATOM 288 CB GLU A 68 -0.755 8.244 -6.780 1.00 0.40 C ATOM 289 CG GLU A 68 -1.868 9.248 -6.684 1.00 0.54 C ATOM 290 CD GLU A 68 -2.247 9.804 -8.038 1.00 1.13 C ATOM 291 OE1 GLU A 68 -1.412 10.482 -8.670 1.00 1.81 O ATOM 292 OE2 GLU A 68 -3.389 9.553 -8.479 1.00 1.39 O ATOM 0 H GLU A 68 -2.251 7.405 -4.907 1.00 0.18 H new ATOM 0 HA GLU A 68 0.458 6.930 -5.656 1.00 0.23 H new ATOM 0 HB2 GLU A 68 0.079 8.695 -7.318 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -1.097 7.397 -7.374 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.740 8.780 -6.227 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.564 10.064 -6.029 1.00 0.54 H new ATOM 299 N GLU A 69 -0.121 9.414 -3.637 1.00 0.19 N ATOM 300 CA GLU A 69 0.596 10.344 -2.765 1.00 0.22 C ATOM 301 C GLU A 69 1.831 9.671 -2.183 1.00 0.20 C ATOM 302 O GLU A 69 2.864 10.302 -1.946 1.00 0.28 O ATOM 303 CB GLU A 69 -0.311 10.807 -1.642 1.00 0.26 C ATOM 304 CG GLU A 69 -1.315 11.832 -2.093 1.00 0.34 C ATOM 305 CD GLU A 69 -0.908 13.238 -1.709 1.00 1.02 C ATOM 306 OE1 GLU A 69 0.093 13.742 -2.257 1.00 1.31 O ATOM 307 OE2 GLU A 69 -1.605 13.856 -0.876 1.00 1.78 O ATOM 0 H GLU A 69 -1.103 9.274 -3.398 1.00 0.19 H new ATOM 0 HA GLU A 69 0.906 11.207 -3.354 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.837 9.947 -1.227 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.296 11.227 -0.840 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.432 11.772 -3.175 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -2.286 11.604 -1.654 1.00 0.34 H new ATOM 314 N PHE A 70 1.693 8.376 -1.954 1.00 0.15 N ATOM 315 CA PHE A 70 2.767 7.552 -1.437 1.00 0.13 C ATOM 316 C PHE A 70 3.750 7.201 -2.548 1.00 0.13 C ATOM 317 O PHE A 70 4.957 7.342 -2.388 1.00 0.14 O ATOM 318 CB PHE A 70 2.160 6.285 -0.843 1.00 0.12 C ATOM 319 CG PHE A 70 3.099 5.472 -0.004 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.268 4.973 -0.534 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.783 5.178 1.305 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.112 4.194 0.223 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.625 4.405 2.078 1.00 0.11 C ATOM 324 CZ PHE A 70 4.790 3.909 1.534 1.00 0.11 C ATOM 0 H PHE A 70 0.826 7.866 -2.123 1.00 0.15 H new ATOM 0 HA PHE A 70 3.314 8.096 -0.667 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.299 6.562 -0.235 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.789 5.661 -1.656 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.526 5.196 -1.559 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.866 5.557 1.731 1.00 0.11 H new ATOM 0 HE1 PHE A 70 6.024 3.807 -0.207 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.372 4.189 3.106 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.450 3.298 2.133 1.00 0.11 H new ATOM 334 N LEU A 71 3.225 6.765 -3.680 1.00 0.14 N ATOM 335 CA LEU A 71 4.043 6.295 -4.783 1.00 0.15 C ATOM 336 C LEU A 71 4.873 7.395 -5.399 1.00 0.16 C ATOM 337 O LEU A 71 6.040 7.203 -5.718 1.00 0.18 O ATOM 338 CB LEU A 71 3.139 5.701 -5.827 1.00 0.17 C ATOM 339 CG LEU A 71 2.539 4.379 -5.423 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.668 3.854 -6.531 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.656 3.418 -5.093 1.00 0.16 C ATOM 0 H LEU A 71 2.222 6.727 -3.860 1.00 0.14 H new ATOM 0 HA LEU A 71 4.739 5.551 -4.395 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.335 6.405 -6.043 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.702 5.568 -6.751 1.00 0.17 H new ATOM 0 HG LEU A 71 1.912 4.501 -4.540 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.237 2.898 -6.233 1.00 0.22 H new ATOM 0 HD12 LEU A 71 0.868 4.566 -6.733 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.267 3.717 -7.431 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.234 2.457 -4.799 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.291 3.283 -5.969 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.251 3.819 -4.273 1.00 0.16 H new ATOM 353 N GLU A 72 4.260 8.537 -5.578 1.00 0.16 N ATOM 354 CA GLU A 72 4.935 9.683 -6.139 1.00 0.19 C ATOM 355 C GLU A 72 6.047 10.133 -5.207 1.00 0.18 C ATOM 356 O GLU A 72 7.074 10.648 -5.644 1.00 0.21 O ATOM 357 CB GLU A 72 3.917 10.774 -6.407 1.00 0.24 C ATOM 358 CG GLU A 72 2.851 10.310 -7.387 1.00 0.29 C ATOM 359 CD GLU A 72 3.373 10.229 -8.805 1.00 0.73 C ATOM 360 OE1 GLU A 72 3.972 11.214 -9.280 1.00 1.21 O ATOM 361 OE2 GLU A 72 3.187 9.178 -9.452 1.00 1.17 O ATOM 0 H GLU A 72 3.282 8.700 -5.340 1.00 0.16 H new ATOM 0 HA GLU A 72 5.404 9.427 -7.089 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.447 11.073 -5.470 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.421 11.654 -6.806 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.481 9.331 -7.082 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.005 10.996 -7.352 1.00 0.29 H new ATOM 368 N LEU A 73 5.831 9.920 -3.919 1.00 0.16 N ATOM 369 CA LEU A 73 6.874 10.086 -2.932 1.00 0.16 C ATOM 370 C LEU A 73 7.910 8.975 -3.082 1.00 0.15 C ATOM 371 O LEU A 73 9.112 9.230 -3.061 1.00 0.18 O ATOM 372 CB LEU A 73 6.257 10.042 -1.536 1.00 0.16 C ATOM 373 CG LEU A 73 7.238 9.818 -0.394 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.551 11.126 0.313 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.667 8.792 0.567 1.00 0.16 C ATOM 0 H LEU A 73 4.932 9.629 -3.535 1.00 0.16 H new ATOM 0 HA LEU A 73 7.367 11.047 -3.079 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.730 10.980 -1.361 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.511 9.248 -1.512 1.00 0.16 H new ATOM 0 HG LEU A 73 8.177 9.436 -0.795 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.254 10.941 1.125 1.00 0.23 H new ATOM 0 HD12 LEU A 73 7.992 11.826 -0.396 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.632 11.550 0.718 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.368 8.630 1.386 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.720 9.155 0.967 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.502 7.852 0.040 1.00 0.16 H new ATOM 387 N CYS A 74 7.430 7.743 -3.255 1.00 0.13 N ATOM 388 CA CYS A 74 8.295 6.582 -3.374 1.00 0.13 C ATOM 389 C CYS A 74 9.228 6.723 -4.578 1.00 0.15 C ATOM 390 O CYS A 74 10.373 6.290 -4.527 1.00 0.18 O ATOM 391 CB CYS A 74 7.439 5.317 -3.488 1.00 0.16 C ATOM 392 SG CYS A 74 8.336 3.776 -3.216 1.00 0.50 S ATOM 0 H CYS A 74 6.435 7.528 -3.316 1.00 0.13 H new ATOM 0 HA CYS A 74 8.918 6.507 -2.482 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.624 5.380 -2.767 1.00 0.16 H new ATOM 0 HB3 CYS A 74 6.986 5.289 -4.479 1.00 0.16 H new ATOM 0 HG CYS A 74 9.381 3.740 -3.989 1.00 0.50 H new ATOM 398 N LYS A 75 8.741 7.349 -5.651 1.00 0.18 N ATOM 399 CA LYS A 75 9.564 7.653 -6.814 1.00 0.22 C ATOM 400 C LYS A 75 10.796 8.477 -6.439 1.00 0.22 C ATOM 401 O LYS A 75 11.828 8.403 -7.102 1.00 0.26 O ATOM 402 CB LYS A 75 8.754 8.406 -7.858 1.00 0.28 C ATOM 403 CG LYS A 75 8.322 7.506 -8.988 1.00 0.57 C ATOM 404 CD LYS A 75 7.098 6.695 -8.631 1.00 0.61 C ATOM 405 CE LYS A 75 5.807 7.396 -9.029 1.00 0.38 C ATOM 406 NZ LYS A 75 5.614 7.421 -10.503 1.00 0.96 N ATOM 0 H LYS A 75 7.772 7.656 -5.735 1.00 0.18 H new ATOM 0 HA LYS A 75 9.900 6.701 -7.226 1.00 0.22 H new ATOM 0 HB2 LYS A 75 7.875 8.846 -7.388 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.349 9.229 -8.255 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.112 8.109 -9.871 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.139 6.833 -9.248 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.150 5.725 -9.126 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.090 6.505 -7.558 1.00 0.61 H new ATOM 0 HE2 LYS A 75 4.962 6.890 -8.562 1.00 0.38 H new ATOM 0 HE3 LYS A 75 5.818 8.417 -8.648 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 4.613 7.603 -10.719 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 6.200 8.174 -10.917 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 5.893 6.504 -10.905 1.00 0.96 H new ATOM 420 N MET A 76 10.680 9.254 -5.371 1.00 0.22 N ATOM 421 CA MET A 76 11.761 10.130 -4.944 1.00 0.26 C ATOM 422 C MET A 76 12.630 9.405 -3.933 1.00 0.25 C ATOM 423 O MET A 76 13.840 9.620 -3.851 1.00 0.32 O ATOM 424 CB MET A 76 11.209 11.402 -4.291 1.00 0.29 C ATOM 425 CG MET A 76 9.986 11.983 -4.970 1.00 0.27 C ATOM 426 SD MET A 76 9.466 13.552 -4.248 1.00 0.32 S ATOM 427 CE MET A 76 9.161 13.063 -2.553 1.00 0.35 C ATOM 0 H MET A 76 9.847 9.295 -4.784 1.00 0.22 H new ATOM 0 HA MET A 76 12.344 10.405 -5.823 1.00 0.26 H new ATOM 0 HB2 MET A 76 10.961 11.183 -3.252 1.00 0.29 H new ATOM 0 HB3 MET A 76 11.994 12.158 -4.279 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.199 12.128 -6.029 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.166 11.268 -4.905 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.172 13.404 -2.248 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.211 11.977 -2.473 1.00 0.35 H new ATOM 0 HE3 MET A 76 9.915 13.510 -1.904 1.00 0.35 H new ATOM 437 N GLN A 77 11.986 8.543 -3.165 1.00 0.21 N ATOM 438 CA GLN A 77 12.626 7.868 -2.055 1.00 0.22 C ATOM 439 C GLN A 77 13.340 6.609 -2.517 1.00 0.21 C ATOM 440 O GLN A 77 14.547 6.467 -2.334 1.00 0.24 O ATOM 441 CB GLN A 77 11.578 7.499 -1.012 1.00 0.23 C ATOM 442 CG GLN A 77 10.687 8.647 -0.559 1.00 0.30 C ATOM 443 CD GLN A 77 11.396 9.669 0.302 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.589 9.926 0.148 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.658 10.246 1.234 1.00 0.48 N ATOM 0 H GLN A 77 11.006 8.293 -3.295 1.00 0.21 H new ATOM 0 HA GLN A 77 13.364 8.544 -1.623 1.00 0.22 H new ATOM 0 HB2 GLN A 77 10.947 6.708 -1.417 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.085 7.087 -0.140 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.279 9.147 -1.438 1.00 0.30 H new ATOM 0 HG3 GLN A 77 9.842 8.241 -0.003 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.672 10.003 1.327 1.00 0.48 H new ATOM 0 HE22 GLN A 77 11.075 10.934 1.861 1.00 0.48 H new ATOM 454 N THR A 78 12.592 5.696 -3.121 1.00 0.18 N ATOM 455 CA THR A 78 13.155 4.455 -3.614 1.00 0.20 C ATOM 456 C THR A 78 13.631 4.644 -5.045 1.00 0.22 C ATOM 457 O THR A 78 13.383 3.817 -5.917 1.00 0.24 O ATOM 458 CB THR A 78 12.126 3.310 -3.549 1.00 0.20 C ATOM 459 OG1 THR A 78 11.030 3.578 -4.432 1.00 0.56 O ATOM 460 CG2 THR A 78 11.604 3.146 -2.133 1.00 0.42 C ATOM 0 H THR A 78 11.589 5.796 -3.280 1.00 0.18 H new ATOM 0 HA THR A 78 13.999 4.185 -2.979 1.00 0.20 H new ATOM 0 HB THR A 78 12.620 2.388 -3.856 1.00 0.20 H new ATOM 0 HG1 THR A 78 10.898 4.546 -4.505 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.878 2.333 -2.105 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.433 2.916 -1.464 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.125 4.071 -1.812 1.00 0.42 H new ATOM 468 N ALA A 79 14.304 5.757 -5.274 1.00 0.25 N ATOM 469 CA ALA A 79 14.836 6.074 -6.583 1.00 0.30 C ATOM 470 C ALA A 79 16.004 5.150 -6.902 1.00 0.34 C ATOM 471 O ALA A 79 16.318 4.890 -8.063 1.00 0.42 O ATOM 472 CB ALA A 79 15.257 7.533 -6.619 1.00 0.32 C ATOM 0 H ALA A 79 14.495 6.461 -4.562 1.00 0.25 H new ATOM 0 HA ALA A 79 14.070 5.921 -7.343 1.00 0.30 H new ATOM 0 HB1 ALA A 79 15.658 7.772 -7.604 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.393 8.166 -6.415 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.023 7.710 -5.864 1.00 0.32 H new ATOM 478 N ASP A 80 16.629 4.642 -5.850 1.00 0.35 N ATOM 479 CA ASP A 80 17.727 3.694 -5.982 1.00 0.44 C ATOM 480 C ASP A 80 17.203 2.258 -5.959 1.00 0.38 C ATOM 481 O ASP A 80 17.967 1.305 -6.107 1.00 0.44 O ATOM 482 CB ASP A 80 18.748 3.904 -4.858 1.00 0.59 C ATOM 483 CG ASP A 80 18.194 3.574 -3.483 1.00 1.31 C ATOM 484 OD1 ASP A 80 17.125 4.108 -3.118 1.00 2.29 O ATOM 485 OD2 ASP A 80 18.833 2.788 -2.754 1.00 1.68 O ATOM 0 H ASP A 80 16.391 4.873 -4.885 1.00 0.35 H new ATOM 0 HA ASP A 80 18.218 3.867 -6.939 1.00 0.44 H new ATOM 0 HB2 ASP A 80 19.623 3.283 -5.049 1.00 0.59 H new ATOM 0 HB3 ASP A 80 19.084 4.941 -4.869 1.00 0.59 H new ATOM 490 N HIS A 81 15.894 2.113 -5.766 1.00 0.35 N ATOM 491 CA HIS A 81 15.233 0.809 -5.795 1.00 0.39 C ATOM 492 C HIS A 81 13.845 0.952 -6.414 1.00 0.34 C ATOM 493 O HIS A 81 12.835 0.809 -5.724 1.00 0.30 O ATOM 494 CB HIS A 81 15.094 0.217 -4.384 1.00 0.49 C ATOM 495 CG HIS A 81 16.391 -0.103 -3.710 1.00 0.86 C ATOM 496 ND1 HIS A 81 17.242 -1.093 -4.141 1.00 2.02 N ATOM 497 CD2 HIS A 81 16.973 0.437 -2.616 1.00 0.60 C ATOM 498 CE1 HIS A 81 18.292 -1.148 -3.346 1.00 2.11 C ATOM 499 NE2 HIS A 81 18.156 -0.228 -2.411 1.00 1.12 N ATOM 0 H HIS A 81 15.262 2.893 -5.586 1.00 0.35 H new ATOM 0 HA HIS A 81 15.847 0.136 -6.393 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.541 0.921 -3.762 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.497 -0.693 -4.444 1.00 0.49 H new ATOM 0 HD2 HIS A 81 16.580 1.243 -2.014 1.00 0.60 H new ATOM 0 HE1 HIS A 81 19.123 -1.831 -3.444 1.00 2.11 H new ATOM 0 HE2 HIS A 81 18.820 -0.041 -1.660 1.00 1.12 H new ATOM 508 N PRO A 82 13.774 1.228 -7.727 1.00 0.39 N ATOM 509 CA PRO A 82 12.519 1.587 -8.408 1.00 0.39 C ATOM 510 C PRO A 82 11.559 0.413 -8.615 1.00 0.35 C ATOM 511 O PRO A 82 10.686 0.466 -9.479 1.00 0.39 O ATOM 512 CB PRO A 82 13.009 2.113 -9.753 1.00 0.50 C ATOM 513 CG PRO A 82 14.265 1.369 -10.007 1.00 0.53 C ATOM 514 CD PRO A 82 14.912 1.215 -8.665 1.00 0.48 C ATOM 0 HA PRO A 82 11.938 2.295 -7.818 1.00 0.39 H new ATOM 0 HB2 PRO A 82 12.276 1.935 -10.540 1.00 0.50 H new ATOM 0 HB3 PRO A 82 13.185 3.188 -9.719 1.00 0.50 H new ATOM 0 HG2 PRO A 82 14.062 0.398 -10.460 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.912 1.913 -10.695 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.477 0.285 -8.597 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.609 2.028 -8.461 1.00 0.48 H new ATOM 522 N GLU A 83 11.712 -0.639 -7.825 1.00 0.29 N ATOM 523 CA GLU A 83 10.836 -1.800 -7.927 1.00 0.26 C ATOM 524 C GLU A 83 9.616 -1.636 -7.022 1.00 0.19 C ATOM 525 O GLU A 83 8.550 -2.189 -7.286 1.00 0.22 O ATOM 526 CB GLU A 83 11.587 -3.072 -7.568 1.00 0.33 C ATOM 527 CG GLU A 83 12.816 -3.294 -8.425 1.00 0.49 C ATOM 528 CD GLU A 83 12.526 -3.230 -9.910 1.00 1.32 C ATOM 529 OE1 GLU A 83 11.955 -4.197 -10.459 1.00 1.72 O ATOM 530 OE2 GLU A 83 12.879 -2.212 -10.540 1.00 2.05 O ATOM 0 H GLU A 83 12.433 -0.714 -7.107 1.00 0.29 H new ATOM 0 HA GLU A 83 10.495 -1.877 -8.960 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.884 -3.029 -6.520 1.00 0.33 H new ATOM 0 HB3 GLU A 83 10.917 -3.925 -7.674 1.00 0.33 H new ATOM 0 HG2 GLU A 83 13.566 -2.544 -8.175 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.247 -4.267 -8.187 1.00 0.49 H new ATOM 537 N VAL A 84 9.797 -0.860 -5.957 1.00 0.15 N ATOM 538 CA VAL A 84 8.769 -0.652 -4.939 1.00 0.11 C ATOM 539 C VAL A 84 7.461 -0.115 -5.518 1.00 0.11 C ATOM 540 O VAL A 84 6.396 -0.704 -5.339 1.00 0.13 O ATOM 541 CB VAL A 84 9.248 0.376 -3.912 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.280 0.427 -2.762 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.655 0.073 -3.434 1.00 0.14 C ATOM 0 H VAL A 84 10.664 -0.355 -5.774 1.00 0.15 H new ATOM 0 HA VAL A 84 8.591 -1.629 -4.491 1.00 0.11 H new ATOM 0 HB VAL A 84 9.282 1.355 -4.390 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.622 1.160 -2.031 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.294 0.713 -3.129 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.221 -0.555 -2.292 1.00 0.13 H new ATOM 0 HG21 VAL A 84 10.961 0.824 -2.706 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.677 -0.913 -2.970 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.339 0.090 -4.282 1.00 0.14 H new ATOM 553 N VAL A 85 7.564 1.020 -6.193 1.00 0.11 N ATOM 554 CA VAL A 85 6.407 1.712 -6.764 1.00 0.13 C ATOM 555 C VAL A 85 5.586 0.796 -7.678 1.00 0.15 C ATOM 556 O VAL A 85 4.384 0.641 -7.463 1.00 0.16 O ATOM 557 CB VAL A 85 6.845 2.972 -7.536 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.646 3.811 -7.929 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.818 3.788 -6.704 1.00 0.15 C ATOM 0 H VAL A 85 8.452 1.492 -6.363 1.00 0.11 H new ATOM 0 HA VAL A 85 5.772 2.010 -5.930 1.00 0.13 H new ATOM 0 HB VAL A 85 7.348 2.655 -8.450 1.00 0.15 H new ATOM 0 HG11 VAL A 85 5.982 4.694 -8.472 1.00 0.18 H new ATOM 0 HG12 VAL A 85 4.984 3.224 -8.565 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.108 4.120 -7.032 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.119 4.675 -7.262 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.337 4.090 -5.774 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.698 3.186 -6.478 1.00 0.15 H new ATOM 569 N PRO A 86 6.207 0.174 -8.703 1.00 0.17 N ATOM 570 CA PRO A 86 5.513 -0.784 -9.571 1.00 0.20 C ATOM 571 C PRO A 86 4.880 -1.928 -8.782 1.00 0.18 C ATOM 572 O PRO A 86 3.793 -2.394 -9.121 1.00 0.20 O ATOM 573 CB PRO A 86 6.616 -1.317 -10.483 1.00 0.23 C ATOM 574 CG PRO A 86 7.649 -0.248 -10.490 1.00 0.22 C ATOM 575 CD PRO A 86 7.610 0.366 -9.122 1.00 0.17 C ATOM 0 HA PRO A 86 4.690 -0.315 -10.110 1.00 0.20 H new ATOM 0 HB2 PRO A 86 7.021 -2.257 -10.107 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.240 -1.511 -11.488 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.635 -0.659 -10.706 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.437 0.495 -11.259 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.304 -0.126 -8.441 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.882 1.421 -9.147 1.00 0.17 H new ATOM 583 N PHE A 87 5.568 -2.372 -7.730 1.00 0.16 N ATOM 584 CA PHE A 87 5.046 -3.421 -6.857 1.00 0.15 C ATOM 585 C PHE A 87 3.753 -2.947 -6.197 1.00 0.14 C ATOM 586 O PHE A 87 2.727 -3.628 -6.263 1.00 0.16 O ATOM 587 CB PHE A 87 6.088 -3.795 -5.791 1.00 0.17 C ATOM 588 CG PHE A 87 5.774 -5.032 -4.980 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.549 -5.674 -5.080 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.722 -5.552 -4.115 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.277 -6.805 -4.335 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.455 -6.681 -3.367 1.00 0.25 C ATOM 593 CZ PHE A 87 5.232 -7.309 -3.476 1.00 0.38 C ATOM 0 H PHE A 87 6.488 -2.021 -7.463 1.00 0.16 H new ATOM 0 HA PHE A 87 4.833 -4.308 -7.454 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.050 -3.939 -6.283 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.202 -2.953 -5.108 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.797 -5.284 -5.750 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.683 -5.068 -4.024 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.318 -7.294 -4.425 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.205 -7.073 -2.696 1.00 0.25 H new ATOM 0 HZ PHE A 87 5.022 -8.192 -2.891 1.00 0.38 H new ATOM 603 N LEU A 88 3.806 -1.775 -5.572 1.00 0.12 N ATOM 604 CA LEU A 88 2.638 -1.211 -4.912 1.00 0.13 C ATOM 605 C LEU A 88 1.495 -1.018 -5.893 1.00 0.14 C ATOM 606 O LEU A 88 0.344 -1.328 -5.578 1.00 0.16 O ATOM 607 CB LEU A 88 2.975 0.119 -4.244 1.00 0.13 C ATOM 608 CG LEU A 88 3.965 0.036 -3.083 1.00 0.12 C ATOM 609 CD1 LEU A 88 3.929 1.324 -2.271 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.650 -1.171 -2.213 1.00 0.20 C ATOM 0 H LEU A 88 4.646 -1.199 -5.510 1.00 0.12 H new ATOM 0 HA LEU A 88 2.324 -1.919 -4.145 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.381 0.793 -4.998 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.051 0.568 -3.880 1.00 0.13 H new ATOM 0 HG LEU A 88 4.973 -0.086 -3.479 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.638 1.254 -1.446 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.198 2.165 -2.910 1.00 0.16 H new ATOM 0 HD13 LEU A 88 2.925 1.476 -1.874 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.361 -1.221 -1.389 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.639 -1.079 -1.815 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.723 -2.079 -2.811 1.00 0.20 H new ATOM 622 N TYR A 89 1.810 -0.515 -7.086 1.00 0.16 N ATOM 623 CA TYR A 89 0.797 -0.373 -8.128 1.00 0.20 C ATOM 624 C TYR A 89 0.168 -1.723 -8.409 1.00 0.21 C ATOM 625 O TYR A 89 -1.038 -1.899 -8.284 1.00 0.25 O ATOM 626 CB TYR A 89 1.389 0.138 -9.447 1.00 0.22 C ATOM 627 CG TYR A 89 1.448 1.636 -9.602 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.290 2.375 -9.801 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.661 2.304 -9.583 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.341 3.746 -9.972 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.722 3.672 -9.757 1.00 0.37 C ATOM 632 CZ TYR A 89 1.561 4.391 -9.950 1.00 0.43 C ATOM 633 OH TYR A 89 1.625 5.754 -10.129 1.00 0.54 O ATOM 0 H TYR A 89 2.744 -0.204 -7.352 1.00 0.16 H new ATOM 0 HA TYR A 89 0.065 0.348 -7.763 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.399 -0.259 -9.548 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.802 -0.271 -10.269 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.665 1.871 -9.823 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.573 1.746 -9.430 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.568 4.309 -10.122 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.676 4.178 -9.742 1.00 0.37 H new ATOM 0 HH TYR A 89 2.559 6.046 -10.084 1.00 0.54 H new ATOM 643 N ASN A 90 1.029 -2.690 -8.697 1.00 0.19 N ATOM 644 CA ASN A 90 0.612 -4.011 -9.145 1.00 0.23 C ATOM 645 C ASN A 90 -0.287 -4.669 -8.113 1.00 0.22 C ATOM 646 O ASN A 90 -1.279 -5.311 -8.455 1.00 0.27 O ATOM 647 CB ASN A 90 1.844 -4.879 -9.386 1.00 0.27 C ATOM 648 CG ASN A 90 1.603 -6.046 -10.325 1.00 0.48 C ATOM 649 OD1 ASN A 90 2.504 -6.457 -11.057 1.00 1.33 O ATOM 650 ND2 ASN A 90 0.405 -6.601 -10.302 1.00 0.67 N ATOM 0 H ASN A 90 2.040 -2.579 -8.626 1.00 0.19 H new ATOM 0 HA ASN A 90 0.051 -3.905 -10.073 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.640 -4.256 -9.794 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.198 -5.263 -8.429 1.00 0.27 H new ATOM 0 HD21 ASN A 90 0.201 -7.398 -10.904 1.00 0.67 H new ATOM 0 HD22 ASN A 90 -0.316 -6.232 -9.682 1.00 0.67 H new ATOM 657 N ARG A 91 0.064 -4.494 -6.853 1.00 0.19 N ATOM 658 CA ARG A 91 -0.690 -5.084 -5.765 1.00 0.20 C ATOM 659 C ARG A 91 -2.067 -4.434 -5.642 1.00 0.20 C ATOM 660 O ARG A 91 -3.040 -5.097 -5.283 1.00 0.22 O ATOM 661 CB ARG A 91 0.097 -4.959 -4.459 1.00 0.22 C ATOM 662 CG ARG A 91 -0.585 -5.596 -3.259 1.00 0.26 C ATOM 663 CD ARG A 91 -0.987 -7.033 -3.526 1.00 0.36 C ATOM 664 NE ARG A 91 0.142 -7.842 -3.990 1.00 0.80 N ATOM 665 CZ ARG A 91 0.538 -8.971 -3.410 1.00 0.73 C ATOM 666 NH1 ARG A 91 -0.054 -9.398 -2.304 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.549 -9.664 -3.916 1.00 1.25 N ATOM 0 H ARG A 91 0.871 -3.945 -6.557 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.844 -6.142 -5.977 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.077 -5.418 -4.592 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.266 -3.903 -4.249 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.086 -5.562 -2.401 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.469 -5.016 -2.995 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.396 -7.470 -2.615 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.780 -7.055 -4.274 1.00 0.36 H new ATOM 0 HE ARG A 91 0.657 -7.519 -4.809 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -0.817 -8.860 -1.894 1.00 1.38 H new ATOM 0 HH12 ARG A 91 0.254 -10.265 -1.863 1.00 1.38 H new ATOM 0 HH21 ARG A 91 2.027 -9.332 -4.754 1.00 1.25 H new ATOM 0 HH22 ARG A 91 1.849 -10.530 -3.467 1.00 1.25 H new ATOM 681 N GLN A 92 -2.152 -3.148 -5.963 1.00 0.19 N ATOM 682 CA GLN A 92 -3.420 -2.432 -5.883 1.00 0.21 C ATOM 683 C GLN A 92 -4.346 -2.859 -7.019 1.00 0.24 C ATOM 684 O GLN A 92 -5.545 -3.024 -6.816 1.00 0.26 O ATOM 685 CB GLN A 92 -3.203 -0.915 -5.920 1.00 0.23 C ATOM 686 CG GLN A 92 -4.474 -0.118 -5.658 1.00 0.34 C ATOM 687 CD GLN A 92 -4.259 1.380 -5.727 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.397 1.865 -6.458 1.00 0.71 O ATOM 689 NE2 GLN A 92 -5.049 2.125 -4.970 1.00 0.78 N ATOM 0 H GLN A 92 -1.364 -2.583 -6.279 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.887 -2.685 -4.931 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.453 -0.644 -5.177 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.802 -0.636 -6.894 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.232 -0.404 -6.387 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.863 -0.379 -4.674 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -5.752 1.683 -4.377 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -4.955 3.141 -4.979 1.00 0.78 H new ATOM 698 N GLN A 93 -3.782 -3.047 -8.212 1.00 0.26 N ATOM 699 CA GLN A 93 -4.549 -3.502 -9.363 1.00 0.32 C ATOM 700 C GLN A 93 -5.093 -4.913 -9.134 1.00 0.34 C ATOM 701 O GLN A 93 -6.044 -5.336 -9.790 1.00 0.40 O ATOM 702 CB GLN A 93 -3.658 -3.498 -10.602 1.00 0.36 C ATOM 703 CG GLN A 93 -2.576 -2.437 -10.558 1.00 0.38 C ATOM 704 CD GLN A 93 -3.072 -1.031 -10.766 1.00 0.44 C ATOM 705 OE1 GLN A 93 -2.522 -0.076 -10.220 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.090 -0.884 -11.572 1.00 0.57 N ATOM 0 H GLN A 93 -2.793 -2.889 -8.403 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.391 -2.825 -9.506 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -3.193 -4.478 -10.710 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.277 -3.340 -11.486 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.070 -2.492 -9.594 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -1.832 -2.663 -11.322 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -4.519 -1.701 -12.006 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.455 0.048 -11.767 1.00 0.57 H new ATOM 715 N ARG A 94 -4.466 -5.650 -8.219 1.00 0.33 N ATOM 716 CA ARG A 94 -4.891 -7.011 -7.923 1.00 0.38 C ATOM 717 C ARG A 94 -5.708 -7.070 -6.636 1.00 0.32 C ATOM 718 O ARG A 94 -6.207 -8.132 -6.251 1.00 0.46 O ATOM 719 CB ARG A 94 -3.689 -7.951 -7.832 1.00 0.47 C ATOM 720 CG ARG A 94 -2.863 -7.979 -9.106 1.00 0.70 C ATOM 721 CD ARG A 94 -3.738 -8.138 -10.341 1.00 0.95 C ATOM 722 NE ARG A 94 -4.534 -9.363 -10.310 1.00 1.67 N ATOM 723 CZ ARG A 94 -5.832 -9.412 -10.606 1.00 2.40 C ATOM 724 NH1 ARG A 94 -6.495 -8.296 -10.889 1.00 2.73 N ATOM 725 NH2 ARG A 94 -6.478 -10.572 -10.598 1.00 3.24 N ATOM 0 H ARG A 94 -3.667 -5.327 -7.674 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.528 -7.341 -8.744 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -3.055 -7.643 -7.001 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -4.039 -8.959 -7.609 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -2.285 -7.058 -9.185 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -2.148 -8.801 -9.058 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -4.403 -7.279 -10.424 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -3.108 -8.140 -11.231 1.00 0.95 H new ATOM 0 HE ARG A 94 -4.069 -10.231 -10.046 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -6.010 -7.399 -10.880 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -7.489 -8.337 -11.115 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -5.980 -11.431 -10.364 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -7.472 -10.604 -10.825 1.00 3.24 H new ATOM 739 N ALA A 95 -5.825 -5.932 -5.964 1.00 0.28 N ATOM 740 CA ALA A 95 -6.661 -5.828 -4.787 1.00 0.25 C ATOM 741 C ALA A 95 -8.096 -5.507 -5.194 1.00 0.26 C ATOM 742 O ALA A 95 -8.333 -4.819 -6.186 1.00 0.36 O ATOM 743 CB ALA A 95 -6.110 -4.767 -3.846 1.00 0.25 C ATOM 0 H ALA A 95 -5.347 -5.068 -6.220 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.660 -6.782 -4.260 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.747 -4.697 -2.964 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -5.099 -5.039 -3.543 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -6.089 -3.804 -4.356 1.00 0.25 H new ATOM 749 N HIS A 96 -9.045 -6.023 -4.430 1.00 0.29 N ATOM 750 CA HIS A 96 -10.457 -5.842 -4.737 1.00 0.29 C ATOM 751 C HIS A 96 -10.870 -4.394 -4.521 1.00 0.27 C ATOM 752 O HIS A 96 -10.577 -3.797 -3.479 1.00 0.29 O ATOM 753 CB HIS A 96 -11.314 -6.749 -3.866 1.00 0.33 C ATOM 754 CG HIS A 96 -12.699 -6.951 -4.397 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.714 -6.074 -4.112 1.00 0.38 N ATOM 756 CD2 HIS A 96 -13.179 -7.945 -5.180 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.784 -6.552 -4.727 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.511 -7.685 -5.386 1.00 0.50 N ATOM 0 H HIS A 96 -8.864 -6.572 -3.590 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.610 -6.104 -5.784 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.824 -7.718 -3.772 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.376 -6.325 -2.864 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.620 -8.783 -5.569 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.758 -6.085 -4.701 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -15.164 -8.245 -5.934 1.00 0.50 H new ATOM 766 N SER A 97 -11.589 -3.860 -5.497 1.00 0.32 N ATOM 767 CA SER A 97 -11.947 -2.451 -5.536 1.00 0.37 C ATOM 768 C SER A 97 -12.839 -2.029 -4.363 1.00 0.33 C ATOM 769 O SER A 97 -12.968 -0.839 -4.089 1.00 0.39 O ATOM 770 CB SER A 97 -12.644 -2.153 -6.862 1.00 0.48 C ATOM 771 OG SER A 97 -11.919 -2.716 -7.947 1.00 1.46 O ATOM 0 H SER A 97 -11.943 -4.396 -6.289 1.00 0.32 H new ATOM 0 HA SER A 97 -11.027 -1.872 -5.448 1.00 0.37 H new ATOM 0 HB2 SER A 97 -13.656 -2.557 -6.846 1.00 0.48 H new ATOM 0 HB3 SER A 97 -12.733 -1.075 -6.998 1.00 0.48 H new ATOM 0 HG SER A 97 -12.381 -2.517 -8.788 1.00 1.46 H new ATOM 777 N LEU A 98 -13.438 -2.988 -3.655 1.00 0.29 N ATOM 778 CA LEU A 98 -14.338 -2.652 -2.559 1.00 0.32 C ATOM 779 C LEU A 98 -13.567 -2.153 -1.352 1.00 0.35 C ATOM 780 O LEU A 98 -13.944 -1.160 -0.729 1.00 0.43 O ATOM 781 CB LEU A 98 -15.193 -3.849 -2.168 1.00 0.35 C ATOM 782 CG LEU A 98 -16.426 -4.072 -3.041 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.241 -5.238 -2.510 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.268 -2.805 -3.105 1.00 0.67 C ATOM 0 H LEU A 98 -13.317 -3.987 -3.820 1.00 0.29 H new ATOM 0 HA LEU A 98 -14.993 -1.854 -2.908 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.574 -4.746 -2.203 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.516 -3.724 -1.134 1.00 0.35 H new ATOM 0 HG LEU A 98 -16.101 -4.314 -4.053 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -18.117 -5.387 -3.141 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.631 -6.141 -2.517 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.560 -5.024 -1.490 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -18.143 -2.981 -3.731 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.590 -2.531 -2.100 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.675 -1.995 -3.530 1.00 0.67 H new ATOM 796 N PHE A 99 -12.495 -2.853 -1.017 1.00 0.32 N ATOM 797 CA PHE A 99 -11.620 -2.424 0.065 1.00 0.34 C ATOM 798 C PHE A 99 -10.901 -1.141 -0.325 1.00 0.34 C ATOM 799 O PHE A 99 -10.775 -0.217 0.478 1.00 0.39 O ATOM 800 CB PHE A 99 -10.606 -3.516 0.406 1.00 0.36 C ATOM 801 CG PHE A 99 -9.534 -3.062 1.356 1.00 0.31 C ATOM 802 CD1 PHE A 99 -9.859 -2.556 2.604 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.200 -3.127 0.990 1.00 0.38 C ATOM 804 CE1 PHE A 99 -8.872 -2.127 3.471 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.210 -2.699 1.850 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.546 -2.200 3.093 1.00 0.58 C ATOM 0 H PHE A 99 -12.210 -3.718 -1.476 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.229 -2.235 0.949 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.131 -4.365 0.842 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.140 -3.868 -0.514 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -10.895 -2.496 2.903 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -7.931 -3.517 0.020 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.137 -1.736 4.442 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.174 -2.754 1.552 1.00 0.49 H new ATOM 0 HZ PHE A 99 -6.772 -1.867 3.769 1.00 0.58 H new ATOM 816 N LEU A 100 -10.438 -1.090 -1.565 1.00 0.31 N ATOM 817 CA LEU A 100 -9.749 0.087 -2.077 1.00 0.36 C ATOM 818 C LEU A 100 -10.672 1.301 -2.116 1.00 0.45 C ATOM 819 O LEU A 100 -10.217 2.437 -2.106 1.00 0.79 O ATOM 820 CB LEU A 100 -9.211 -0.215 -3.463 1.00 0.37 C ATOM 821 CG LEU A 100 -8.492 -1.555 -3.570 1.00 0.35 C ATOM 822 CD1 LEU A 100 -7.990 -1.771 -4.977 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.352 -1.648 -2.565 1.00 0.70 C ATOM 0 H LEU A 100 -10.527 -1.852 -2.238 1.00 0.31 H new ATOM 0 HA LEU A 100 -8.924 0.328 -1.407 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.037 -0.200 -4.174 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.524 0.579 -3.756 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.205 -2.345 -3.334 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.479 -2.732 -5.037 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -8.832 -1.764 -5.669 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.296 -0.974 -5.242 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.857 -2.614 -2.664 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.633 -0.851 -2.755 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.748 -1.545 -1.555 1.00 0.70 H new ATOM 835 N ALA A 101 -11.969 1.053 -2.173 1.00 0.28 N ATOM 836 CA ALA A 101 -12.955 2.118 -2.060 1.00 0.33 C ATOM 837 C ALA A 101 -13.611 2.078 -0.685 1.00 0.36 C ATOM 838 O ALA A 101 -14.837 2.085 -0.562 1.00 0.57 O ATOM 839 CB ALA A 101 -14.002 2.009 -3.158 1.00 0.36 C ATOM 0 H ALA A 101 -12.366 0.122 -2.297 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.446 3.075 -2.178 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.727 2.816 -3.051 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.517 2.083 -4.132 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.513 1.050 -3.079 1.00 0.36 H new ATOM 845 N SER A 102 -12.784 2.020 0.351 1.00 0.34 N ATOM 846 CA SER A 102 -13.268 1.981 1.720 1.00 0.36 C ATOM 847 C SER A 102 -12.460 2.931 2.600 1.00 0.36 C ATOM 848 O SER A 102 -11.252 3.099 2.412 1.00 0.46 O ATOM 849 CB SER A 102 -13.185 0.554 2.267 1.00 0.40 C ATOM 850 OG SER A 102 -13.677 0.482 3.595 1.00 1.39 O ATOM 0 H SER A 102 -11.768 1.999 0.265 1.00 0.34 H new ATOM 0 HA SER A 102 -14.309 2.303 1.730 1.00 0.36 H new ATOM 0 HB2 SER A 102 -13.759 -0.117 1.627 1.00 0.40 H new ATOM 0 HB3 SER A 102 -12.150 0.212 2.241 1.00 0.40 H new ATOM 0 HG SER A 102 -13.613 -0.441 3.918 1.00 1.39 H new ATOM 856 N ALA A 103 -13.149 3.576 3.545 1.00 0.35 N ATOM 857 CA ALA A 103 -12.505 4.440 4.528 1.00 0.36 C ATOM 858 C ALA A 103 -11.530 3.656 5.379 1.00 0.29 C ATOM 859 O ALA A 103 -10.617 4.218 5.980 1.00 0.30 O ATOM 860 CB ALA A 103 -13.540 5.080 5.422 1.00 0.44 C ATOM 0 H ALA A 103 -14.162 3.513 3.647 1.00 0.35 H new ATOM 0 HA ALA A 103 -11.961 5.214 3.986 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.045 5.722 6.150 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.224 5.677 4.818 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.100 4.304 5.944 1.00 0.44 H new ATOM 866 N GLU A 104 -11.744 2.352 5.438 1.00 0.29 N ATOM 867 CA GLU A 104 -10.851 1.463 6.147 1.00 0.30 C ATOM 868 C GLU A 104 -9.450 1.594 5.568 1.00 0.26 C ATOM 869 O GLU A 104 -8.480 1.843 6.281 1.00 0.30 O ATOM 870 CB GLU A 104 -11.359 0.032 6.005 1.00 0.39 C ATOM 871 CG GLU A 104 -10.500 -1.010 6.696 1.00 0.49 C ATOM 872 CD GLU A 104 -11.112 -2.397 6.629 1.00 1.02 C ATOM 873 OE1 GLU A 104 -12.140 -2.639 7.298 1.00 1.15 O ATOM 874 OE2 GLU A 104 -10.563 -3.259 5.909 1.00 1.81 O ATOM 0 H GLU A 104 -12.537 1.886 4.998 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.818 1.723 7.205 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -12.370 -0.023 6.408 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.425 -0.214 4.945 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -9.513 -1.028 6.234 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -10.359 -0.728 7.739 1.00 0.49 H new ATOM 881 N PHE A 105 -9.381 1.474 4.251 1.00 0.22 N ATOM 882 CA PHE A 105 -8.134 1.609 3.517 1.00 0.20 C ATOM 883 C PHE A 105 -7.655 3.061 3.542 1.00 0.19 C ATOM 884 O PHE A 105 -6.461 3.337 3.417 1.00 0.16 O ATOM 885 CB PHE A 105 -8.354 1.133 2.077 1.00 0.21 C ATOM 886 CG PHE A 105 -7.107 1.074 1.247 1.00 0.18 C ATOM 887 CD1 PHE A 105 -5.972 0.455 1.733 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.069 1.637 -0.017 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.821 0.397 0.979 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.920 1.581 -0.780 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.794 0.962 -0.279 1.00 0.16 C ATOM 0 H PHE A 105 -10.190 1.280 3.661 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.363 0.997 3.985 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.808 0.142 2.100 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.068 1.799 1.592 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -5.987 0.011 2.717 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.948 2.126 -0.411 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.941 -0.090 1.372 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.903 2.021 -1.766 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.892 0.920 -0.871 1.00 0.16 H new ATOM 901 N CYS A 106 -8.596 3.978 3.732 1.00 0.27 N ATOM 902 CA CYS A 106 -8.281 5.403 3.796 1.00 0.27 C ATOM 903 C CYS A 106 -7.425 5.702 5.027 1.00 0.27 C ATOM 904 O CYS A 106 -6.489 6.500 4.965 1.00 0.28 O ATOM 905 CB CYS A 106 -9.569 6.233 3.824 1.00 0.29 C ATOM 906 SG CYS A 106 -9.322 8.020 3.712 1.00 0.59 S ATOM 0 H CYS A 106 -9.586 3.761 3.845 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.714 5.675 2.906 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.207 5.916 2.999 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.107 6.012 4.746 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.475 8.620 3.743 1.00 0.59 H new ATOM 912 N ASN A 107 -7.743 5.048 6.144 1.00 0.28 N ATOM 913 CA ASN A 107 -6.927 5.156 7.355 1.00 0.30 C ATOM 914 C ASN A 107 -5.539 4.627 7.094 1.00 0.24 C ATOM 915 O ASN A 107 -4.547 5.272 7.414 1.00 0.23 O ATOM 916 CB ASN A 107 -7.526 4.366 8.510 1.00 0.37 C ATOM 917 CG ASN A 107 -8.742 5.039 9.119 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.620 5.865 10.023 1.00 0.78 O ATOM 919 ND2 ASN A 107 -9.923 4.688 8.640 1.00 0.64 N ATOM 0 H ASN A 107 -8.557 4.440 6.236 1.00 0.28 H new ATOM 0 HA ASN A 107 -6.893 6.211 7.625 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -7.805 3.373 8.158 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -6.768 4.229 9.282 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.772 5.106 9.020 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -9.985 4.000 7.890 1.00 0.64 H new ATOM 926 N ILE A 108 -5.485 3.445 6.503 1.00 0.21 N ATOM 927 CA ILE A 108 -4.224 2.825 6.140 1.00 0.17 C ATOM 928 C ILE A 108 -3.372 3.790 5.327 1.00 0.12 C ATOM 929 O ILE A 108 -2.243 4.097 5.698 1.00 0.12 O ATOM 930 CB ILE A 108 -4.480 1.540 5.324 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.600 0.321 6.237 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.417 1.320 4.258 1.00 0.14 C ATOM 933 CD1 ILE A 108 -5.932 0.235 6.934 1.00 0.39 C ATOM 0 H ILE A 108 -6.308 2.892 6.263 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.689 2.568 7.054 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.431 1.673 4.809 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.445 -0.583 5.648 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -3.807 0.354 6.984 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.637 0.405 3.708 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.412 2.165 3.569 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.439 1.233 4.732 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -5.955 -0.652 7.567 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.079 1.123 7.548 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.728 0.171 6.192 1.00 0.39 H new ATOM 945 N LEU A 109 -3.949 4.295 4.251 1.00 0.12 N ATOM 946 CA LEU A 109 -3.253 5.193 3.350 1.00 0.12 C ATOM 947 C LEU A 109 -2.826 6.480 4.032 1.00 0.13 C ATOM 948 O LEU A 109 -1.653 6.837 3.997 1.00 0.13 O ATOM 949 CB LEU A 109 -4.136 5.490 2.152 1.00 0.15 C ATOM 950 CG LEU A 109 -3.998 4.479 1.031 1.00 0.16 C ATOM 951 CD1 LEU A 109 -5.101 4.650 0.015 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.647 4.640 0.377 1.00 0.17 C ATOM 0 H LEU A 109 -4.911 4.094 3.979 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.340 4.697 3.021 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -5.176 5.521 2.476 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.893 6.481 1.768 1.00 0.15 H new ATOM 0 HG LEU A 109 -4.081 3.475 1.446 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.981 3.914 -0.780 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -6.067 4.507 0.499 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -5.053 5.653 -0.409 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.545 3.914 -0.430 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.557 5.648 -0.028 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.863 4.474 1.116 1.00 0.17 H new ATOM 964 N SER A 110 -3.769 7.159 4.662 1.00 0.16 N ATOM 965 CA SER A 110 -3.477 8.416 5.340 1.00 0.20 C ATOM 966 C SER A 110 -2.346 8.241 6.345 1.00 0.19 C ATOM 967 O SER A 110 -1.461 9.088 6.464 1.00 0.22 O ATOM 968 CB SER A 110 -4.729 8.933 6.045 1.00 0.28 C ATOM 969 OG SER A 110 -5.254 7.966 6.938 1.00 1.18 O ATOM 0 H SER A 110 -4.744 6.864 4.720 1.00 0.16 H new ATOM 0 HA SER A 110 -3.161 9.143 4.592 1.00 0.20 H new ATOM 0 HB2 SER A 110 -4.490 9.845 6.592 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.484 9.195 5.304 1.00 0.28 H new ATOM 0 HG SER A 110 -5.739 7.282 6.431 1.00 1.18 H new ATOM 975 N ARG A 111 -2.376 7.124 7.051 1.00 0.18 N ATOM 976 CA ARG A 111 -1.394 6.832 8.072 1.00 0.19 C ATOM 977 C ARG A 111 -0.046 6.398 7.482 1.00 0.16 C ATOM 978 O ARG A 111 0.957 7.069 7.703 1.00 0.17 O ATOM 979 CB ARG A 111 -1.952 5.779 9.031 1.00 0.25 C ATOM 980 CG ARG A 111 -3.100 6.307 9.871 1.00 0.33 C ATOM 981 CD ARG A 111 -3.671 5.250 10.801 1.00 1.22 C ATOM 982 NE ARG A 111 -4.945 5.684 11.372 1.00 1.97 N ATOM 983 CZ ARG A 111 -5.749 4.913 12.100 1.00 2.79 C ATOM 984 NH1 ARG A 111 -5.376 3.683 12.440 1.00 3.10 N ATOM 985 NH2 ARG A 111 -6.918 5.386 12.506 1.00 3.73 N ATOM 0 H ARG A 111 -3.082 6.397 6.930 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.197 7.750 8.625 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.292 4.915 8.459 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.155 5.432 9.688 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -2.755 7.157 10.460 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -3.889 6.673 9.214 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -3.813 4.318 10.254 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -2.961 5.044 11.602 1.00 1.22 H new ATOM 0 HE ARG A 111 -5.238 6.646 11.200 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -4.468 3.325 12.143 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -5.997 3.098 12.998 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -7.197 6.336 12.260 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -7.539 4.800 13.064 1.00 3.73 H new ATOM 999 N VAL A 112 -0.016 5.319 6.696 1.00 0.15 N ATOM 1000 CA VAL A 112 1.261 4.774 6.219 1.00 0.14 C ATOM 1001 C VAL A 112 1.966 5.731 5.270 1.00 0.14 C ATOM 1002 O VAL A 112 3.178 5.932 5.371 1.00 0.15 O ATOM 1003 CB VAL A 112 1.134 3.390 5.534 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.565 2.356 6.489 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.305 3.474 4.268 1.00 0.15 C ATOM 0 H VAL A 112 -0.843 4.812 6.380 1.00 0.15 H new ATOM 0 HA VAL A 112 1.856 4.643 7.123 1.00 0.14 H new ATOM 0 HB VAL A 112 2.137 3.070 5.252 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.487 1.395 5.981 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.223 2.258 7.353 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.424 2.672 6.820 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.236 2.486 3.812 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.695 3.833 4.511 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.778 4.164 3.569 1.00 0.15 H new ATOM 1015 N LEU A 113 1.210 6.329 4.359 1.00 0.15 N ATOM 1016 CA LEU A 113 1.764 7.258 3.403 1.00 0.16 C ATOM 1017 C LEU A 113 2.418 8.427 4.112 1.00 0.17 C ATOM 1018 O LEU A 113 3.575 8.755 3.852 1.00 0.20 O ATOM 1019 CB LEU A 113 0.654 7.740 2.467 1.00 0.16 C ATOM 1020 CG LEU A 113 0.552 9.251 2.301 1.00 0.20 C ATOM 1021 CD1 LEU A 113 1.592 9.733 1.304 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.844 9.639 1.860 1.00 0.27 C ATOM 0 H LEU A 113 0.205 6.181 4.268 1.00 0.15 H new ATOM 0 HA LEU A 113 2.533 6.756 2.815 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.810 7.293 1.485 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.300 7.367 2.839 1.00 0.16 H new ATOM 0 HG LEU A 113 0.747 9.730 3.261 1.00 0.20 H new ATOM 0 HD11 LEU A 113 1.513 10.814 1.190 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.588 9.478 1.665 1.00 0.20 H new ATOM 0 HD13 LEU A 113 1.422 9.253 0.340 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.902 10.721 1.746 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -1.071 9.161 0.907 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.566 9.314 2.610 1.00 0.27 H new ATOM 1034 N SER A 114 1.688 9.030 5.027 1.00 0.17 N ATOM 1035 CA SER A 114 2.152 10.230 5.682 1.00 0.21 C ATOM 1036 C SER A 114 3.297 9.912 6.639 1.00 0.18 C ATOM 1037 O SER A 114 4.201 10.732 6.827 1.00 0.20 O ATOM 1038 CB SER A 114 0.989 10.894 6.396 1.00 0.26 C ATOM 1039 OG SER A 114 -0.038 11.246 5.480 1.00 1.06 O ATOM 0 H SER A 114 0.770 8.707 5.333 1.00 0.17 H new ATOM 0 HA SER A 114 2.541 10.925 4.938 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.590 10.219 7.153 1.00 0.26 H new ATOM 0 HB3 SER A 114 1.339 11.786 6.916 1.00 0.26 H new ATOM 0 HG SER A 114 -0.784 10.616 5.567 1.00 1.06 H new ATOM 1045 N ARG A 115 3.264 8.716 7.229 1.00 0.15 N ATOM 1046 CA ARG A 115 4.388 8.227 8.014 1.00 0.16 C ATOM 1047 C ARG A 115 5.652 8.203 7.166 1.00 0.15 C ATOM 1048 O ARG A 115 6.706 8.655 7.596 1.00 0.18 O ATOM 1049 CB ARG A 115 4.110 6.822 8.551 1.00 0.20 C ATOM 1050 CG ARG A 115 3.103 6.787 9.682 1.00 0.31 C ATOM 1051 CD ARG A 115 3.616 7.518 10.904 1.00 0.53 C ATOM 1052 NE ARG A 115 2.825 7.214 12.097 1.00 0.89 N ATOM 1053 CZ ARG A 115 2.002 8.076 12.692 1.00 1.21 C ATOM 1054 NH1 ARG A 115 1.780 9.271 12.158 1.00 1.63 N ATOM 1055 NH2 ARG A 115 1.379 7.731 13.811 1.00 1.62 N ATOM 0 H ARG A 115 2.473 8.074 7.176 1.00 0.15 H new ATOM 0 HA ARG A 115 4.528 8.904 8.857 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.748 6.197 7.735 1.00 0.20 H new ATOM 0 HB3 ARG A 115 5.046 6.384 8.897 1.00 0.20 H new ATOM 0 HG2 ARG A 115 2.168 7.239 9.352 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.882 5.752 9.942 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.656 7.245 11.080 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.595 8.592 10.719 1.00 0.53 H new ATOM 0 HE ARG A 115 2.909 6.281 12.499 1.00 0.89 H new ATOM 0 HH11 ARG A 115 2.241 9.534 11.287 1.00 1.63 H new ATOM 0 HH12 ARG A 115 1.149 9.926 12.619 1.00 1.63 H new ATOM 0 HH21 ARG A 115 1.530 6.807 14.215 1.00 1.62 H new ATOM 0 HH22 ARG A 115 0.749 8.390 14.268 1.00 1.62 H new ATOM 1069 N ALA A 116 5.527 7.679 5.952 1.00 0.15 N ATOM 1070 CA ALA A 116 6.660 7.548 5.045 1.00 0.18 C ATOM 1071 C ALA A 116 7.092 8.898 4.474 1.00 0.21 C ATOM 1072 O ALA A 116 8.270 9.112 4.191 1.00 0.25 O ATOM 1073 CB ALA A 116 6.322 6.581 3.930 1.00 0.20 C ATOM 0 H ALA A 116 4.645 7.336 5.572 1.00 0.15 H new ATOM 0 HA ALA A 116 7.501 7.156 5.616 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.175 6.489 3.257 1.00 0.20 H new ATOM 0 HB2 ALA A 116 6.088 5.605 4.354 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.460 6.952 3.375 1.00 0.20 H new ATOM 1079 N ARG A 117 6.134 9.799 4.289 1.00 0.23 N ATOM 1080 CA ARG A 117 6.437 11.157 3.845 1.00 0.28 C ATOM 1081 C ARG A 117 7.240 11.889 4.911 1.00 0.29 C ATOM 1082 O ARG A 117 8.061 12.748 4.604 1.00 0.39 O ATOM 1083 CB ARG A 117 5.151 11.929 3.534 1.00 0.38 C ATOM 1084 CG ARG A 117 4.345 11.320 2.405 1.00 1.06 C ATOM 1085 CD ARG A 117 4.274 12.234 1.189 1.00 1.15 C ATOM 1086 NE ARG A 117 3.313 13.324 1.365 1.00 1.75 N ATOM 1087 CZ ARG A 117 2.341 13.610 0.488 1.00 2.25 C ATOM 1088 NH1 ARG A 117 2.219 12.906 -0.630 1.00 2.33 N ATOM 1089 NH2 ARG A 117 1.486 14.598 0.730 1.00 2.99 N ATOM 0 H ARG A 117 5.142 9.615 4.439 1.00 0.23 H new ATOM 0 HA ARG A 117 7.029 11.094 2.932 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.534 11.969 4.431 1.00 0.38 H new ATOM 0 HB3 ARG A 117 5.406 12.957 3.276 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.790 10.368 2.116 1.00 1.06 H new ATOM 0 HG3 ARG A 117 3.335 11.106 2.756 1.00 1.06 H new ATOM 0 HD2 ARG A 117 5.262 12.652 0.994 1.00 1.15 H new ATOM 0 HD3 ARG A 117 3.998 11.648 0.313 1.00 1.15 H new ATOM 0 HE ARG A 117 3.388 13.899 2.204 1.00 1.75 H new ATOM 0 HH11 ARG A 117 2.867 12.143 -0.825 1.00 2.33 H new ATOM 0 HH12 ARG A 117 1.477 13.128 -1.294 1.00 2.33 H new ATOM 0 HH21 ARG A 117 1.567 15.144 1.588 1.00 2.99 H new ATOM 0 HH22 ARG A 117 0.749 14.810 0.058 1.00 2.99 H new ATOM 1103 N SER A 118 6.990 11.537 6.164 1.00 0.28 N ATOM 1104 CA SER A 118 7.702 12.120 7.290 1.00 0.33 C ATOM 1105 C SER A 118 9.027 11.404 7.501 1.00 0.32 C ATOM 1106 O SER A 118 10.088 12.021 7.620 1.00 0.41 O ATOM 1107 CB SER A 118 6.849 12.004 8.551 1.00 0.38 C ATOM 1108 OG SER A 118 7.352 12.820 9.597 1.00 0.62 O ATOM 0 H SER A 118 6.291 10.842 6.427 1.00 0.28 H new ATOM 0 HA SER A 118 7.898 13.171 7.079 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.823 12.293 8.325 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.823 10.965 8.879 1.00 0.38 H new ATOM 0 HG SER A 118 6.783 12.724 10.389 1.00 0.62 H new ATOM 1114 N ARG A 119 8.934 10.096 7.551 1.00 0.26 N ATOM 1115 CA ARG A 119 10.074 9.228 7.776 1.00 0.28 C ATOM 1116 C ARG A 119 10.333 8.305 6.590 1.00 0.26 C ATOM 1117 O ARG A 119 9.862 7.165 6.555 1.00 0.25 O ATOM 1118 CB ARG A 119 9.848 8.406 9.039 1.00 0.33 C ATOM 1119 CG ARG A 119 9.998 9.220 10.305 1.00 0.47 C ATOM 1120 CD ARG A 119 11.422 9.724 10.453 1.00 1.28 C ATOM 1121 NE ARG A 119 11.571 10.658 11.566 1.00 1.54 N ATOM 1122 CZ ARG A 119 11.965 11.920 11.423 1.00 2.39 C ATOM 1123 NH1 ARG A 119 12.207 12.405 10.212 1.00 3.26 N ATOM 1124 NH2 ARG A 119 12.107 12.701 12.486 1.00 2.60 N ATOM 0 H ARG A 119 8.053 9.594 7.435 1.00 0.26 H new ATOM 0 HA ARG A 119 10.955 9.858 7.896 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.849 7.970 9.009 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.556 7.578 9.059 1.00 0.33 H new ATOM 0 HG2 ARG A 119 9.309 10.064 10.284 1.00 0.47 H new ATOM 0 HG3 ARG A 119 9.731 8.611 11.169 1.00 0.47 H new ATOM 0 HD2 ARG A 119 12.091 8.876 10.602 1.00 1.28 H new ATOM 0 HD3 ARG A 119 11.729 10.213 9.529 1.00 1.28 H new ATOM 0 HE ARG A 119 11.361 10.323 12.506 1.00 1.54 H new ATOM 0 HH11 ARG A 119 12.091 11.810 9.392 1.00 3.26 H new ATOM 0 HH12 ARG A 119 12.509 13.373 10.101 1.00 3.26 H new ATOM 0 HH21 ARG A 119 11.914 12.334 13.418 1.00 2.60 H new ATOM 0 HH22 ARG A 119 12.409 13.668 12.371 1.00 2.60 H new ATOM 1138 N PRO A 120 11.100 8.795 5.608 1.00 0.29 N ATOM 1139 CA PRO A 120 11.597 7.989 4.487 1.00 0.30 C ATOM 1140 C PRO A 120 12.446 6.827 4.982 1.00 0.27 C ATOM 1141 O PRO A 120 12.563 5.792 4.325 1.00 0.28 O ATOM 1142 CB PRO A 120 12.472 8.975 3.705 1.00 0.37 C ATOM 1143 CG PRO A 120 12.780 10.060 4.674 1.00 0.38 C ATOM 1144 CD PRO A 120 11.547 10.184 5.505 1.00 0.35 C ATOM 0 HA PRO A 120 10.792 7.552 3.897 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.382 8.496 3.345 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.948 9.362 2.831 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.647 9.811 5.286 1.00 0.38 H new ATOM 0 HG3 PRO A 120 13.009 10.995 4.163 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.757 10.617 6.483 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.798 10.818 5.030 1.00 0.35 H new ATOM 1152 N ALA A 121 13.026 7.023 6.159 1.00 0.25 N ATOM 1153 CA ALA A 121 13.880 6.033 6.791 1.00 0.28 C ATOM 1154 C ALA A 121 13.150 4.709 7.017 1.00 0.27 C ATOM 1155 O ALA A 121 13.761 3.639 7.003 1.00 0.35 O ATOM 1156 CB ALA A 121 14.397 6.592 8.104 1.00 0.33 C ATOM 0 H ALA A 121 12.915 7.879 6.703 1.00 0.25 H new ATOM 0 HA ALA A 121 14.716 5.821 6.125 1.00 0.28 H new ATOM 0 HB1 ALA A 121 15.039 5.855 8.586 1.00 0.33 H new ATOM 0 HB2 ALA A 121 14.968 7.501 7.913 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.556 6.822 8.758 1.00 0.33 H new ATOM 1162 N LYS A 122 11.843 4.781 7.233 1.00 0.22 N ATOM 1163 CA LYS A 122 11.036 3.589 7.425 1.00 0.27 C ATOM 1164 C LYS A 122 9.944 3.490 6.374 1.00 0.19 C ATOM 1165 O LYS A 122 8.999 2.717 6.523 1.00 0.18 O ATOM 1166 CB LYS A 122 10.433 3.588 8.823 1.00 0.39 C ATOM 1167 CG LYS A 122 11.443 3.238 9.898 1.00 0.49 C ATOM 1168 CD LYS A 122 11.257 1.808 10.374 1.00 0.66 C ATOM 1169 CE LYS A 122 12.245 1.448 11.469 1.00 1.28 C ATOM 1170 NZ LYS A 122 12.095 2.312 12.669 1.00 1.79 N ATOM 0 H LYS A 122 11.321 5.656 7.279 1.00 0.22 H new ATOM 0 HA LYS A 122 11.682 2.718 7.316 1.00 0.27 H new ATOM 0 HB2 LYS A 122 10.012 4.571 9.033 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.610 2.874 8.858 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.453 3.367 9.509 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.336 3.922 10.740 1.00 0.49 H new ATOM 0 HD2 LYS A 122 10.240 1.677 10.744 1.00 0.66 H new ATOM 0 HD3 LYS A 122 11.381 1.125 9.533 1.00 0.66 H new ATOM 0 HE2 LYS A 122 12.104 0.406 11.754 1.00 1.28 H new ATOM 0 HE3 LYS A 122 13.261 1.538 11.083 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 12.626 1.899 13.463 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 12.465 3.261 12.462 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 11.089 2.381 12.924 1.00 1.79 H new ATOM 1184 N LEU A 123 10.106 4.265 5.302 1.00 0.17 N ATOM 1185 CA LEU A 123 9.193 4.262 4.165 1.00 0.14 C ATOM 1186 C LEU A 123 8.828 2.847 3.737 1.00 0.12 C ATOM 1187 O LEU A 123 7.671 2.558 3.444 1.00 0.12 O ATOM 1188 CB LEU A 123 9.865 4.987 3.010 1.00 0.16 C ATOM 1189 CG LEU A 123 9.303 4.694 1.629 1.00 0.14 C ATOM 1190 CD1 LEU A 123 8.080 5.544 1.346 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.378 4.926 0.602 1.00 0.21 C ATOM 0 H LEU A 123 10.883 4.918 5.200 1.00 0.17 H new ATOM 0 HA LEU A 123 8.270 4.764 4.456 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.796 6.060 3.190 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.925 4.731 3.012 1.00 0.16 H new ATOM 0 HG LEU A 123 8.985 3.653 1.583 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.699 5.313 0.351 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.310 5.332 2.088 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.351 6.599 1.395 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.982 4.718 -0.392 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.710 5.963 0.651 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.221 4.265 0.803 1.00 0.21 H new ATOM 1203 N TYR A 124 9.819 1.966 3.730 1.00 0.13 N ATOM 1204 CA TYR A 124 9.627 0.605 3.259 1.00 0.13 C ATOM 1205 C TYR A 124 8.634 -0.143 4.120 1.00 0.13 C ATOM 1206 O TYR A 124 7.802 -0.853 3.595 1.00 0.14 O ATOM 1207 CB TYR A 124 10.951 -0.142 3.203 1.00 0.14 C ATOM 1208 CG TYR A 124 11.836 0.283 2.062 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.688 1.376 2.171 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.819 -0.414 0.866 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.495 1.757 1.116 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.616 -0.043 -0.183 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.456 1.042 -0.061 1.00 0.24 C ATOM 1214 OH TYR A 124 14.250 1.419 -1.121 1.00 0.31 O ATOM 0 H TYR A 124 10.766 2.172 4.047 1.00 0.13 H new ATOM 0 HA TYR A 124 9.220 0.663 2.250 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.484 0.010 4.141 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.752 -1.210 3.119 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.720 1.936 3.094 1.00 0.22 H new ATOM 0 HD2 TYR A 124 11.165 -1.266 0.759 1.00 0.14 H new ATOM 0 HE1 TYR A 124 14.151 2.609 1.213 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.586 -0.601 -1.107 1.00 0.19 H new ATOM 0 HH TYR A 124 15.068 1.841 -0.783 1.00 0.31 H new ATOM 1224 N VAL A 125 8.706 0.023 5.433 1.00 0.13 N ATOM 1225 CA VAL A 125 7.735 -0.611 6.321 1.00 0.14 C ATOM 1226 C VAL A 125 6.317 -0.252 5.901 1.00 0.12 C ATOM 1227 O VAL A 125 5.432 -1.102 5.855 1.00 0.14 O ATOM 1228 CB VAL A 125 7.944 -0.195 7.788 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.846 -0.776 8.673 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.319 -0.639 8.259 1.00 0.23 C ATOM 0 H VAL A 125 9.416 0.583 5.905 1.00 0.13 H new ATOM 0 HA VAL A 125 7.885 -1.688 6.242 1.00 0.14 H new ATOM 0 HB VAL A 125 7.887 0.891 7.861 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.012 -0.471 9.706 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.876 -0.409 8.337 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.865 -1.864 8.609 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.461 -0.342 9.298 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.399 -1.723 8.177 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.084 -0.171 7.640 1.00 0.23 H new ATOM 1240 N TYR A 126 6.125 1.009 5.558 1.00 0.11 N ATOM 1241 CA TYR A 126 4.822 1.507 5.160 1.00 0.11 C ATOM 1242 C TYR A 126 4.481 1.009 3.760 1.00 0.10 C ATOM 1243 O TYR A 126 3.318 0.774 3.438 1.00 0.11 O ATOM 1244 CB TYR A 126 4.824 3.032 5.257 1.00 0.12 C ATOM 1245 CG TYR A 126 5.402 3.492 6.579 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.934 2.951 7.770 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.438 4.418 6.641 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.475 3.322 8.985 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.991 4.788 7.857 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.504 4.236 9.025 1.00 0.20 C ATOM 1251 OH TYR A 126 7.052 4.584 10.239 1.00 0.25 O ATOM 0 H TYR A 126 6.863 1.713 5.548 1.00 0.11 H new ATOM 0 HA TYR A 126 4.046 1.130 5.826 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.406 3.451 4.436 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.806 3.408 5.151 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.133 2.227 7.745 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.817 4.855 5.729 1.00 0.17 H new ATOM 0 HE1 TYR A 126 5.092 2.897 9.901 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.799 5.504 7.891 1.00 0.20 H new ATOM 0 HH TYR A 126 7.768 5.238 10.099 1.00 0.25 H new ATOM 1261 N ILE A 127 5.516 0.832 2.945 1.00 0.11 N ATOM 1262 CA ILE A 127 5.394 0.139 1.665 1.00 0.11 C ATOM 1263 C ILE A 127 4.906 -1.289 1.893 1.00 0.11 C ATOM 1264 O ILE A 127 3.927 -1.732 1.295 1.00 0.11 O ATOM 1265 CB ILE A 127 6.758 0.097 0.934 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.139 1.498 0.459 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.722 -0.879 -0.229 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.614 1.676 0.180 1.00 0.11 C ATOM 0 H ILE A 127 6.459 1.163 3.151 1.00 0.11 H new ATOM 0 HA ILE A 127 4.677 0.682 1.049 1.00 0.11 H new ATOM 0 HB ILE A 127 7.517 -0.252 1.634 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.579 1.727 -0.447 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.833 2.222 1.215 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.692 -0.889 -0.725 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.493 -1.878 0.142 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.954 -0.571 -0.939 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.801 2.697 -0.152 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.182 1.481 1.089 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.924 0.979 -0.598 1.00 0.11 H new ATOM 1280 N ASN A 128 5.612 -1.985 2.776 1.00 0.12 N ATOM 1281 CA ASN A 128 5.305 -3.352 3.153 1.00 0.14 C ATOM 1282 C ASN A 128 3.867 -3.461 3.633 1.00 0.14 C ATOM 1283 O ASN A 128 3.099 -4.298 3.147 1.00 0.16 O ATOM 1284 CB ASN A 128 6.247 -3.796 4.277 1.00 0.20 C ATOM 1285 CG ASN A 128 7.691 -4.004 3.839 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.421 -4.777 4.440 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.125 -3.314 2.804 1.00 0.26 N ATOM 0 H ASN A 128 6.428 -1.605 3.256 1.00 0.12 H new ATOM 0 HA ASN A 128 5.437 -3.993 2.281 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.224 -3.049 5.071 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.871 -4.726 4.704 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.089 -3.419 2.489 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.497 -2.674 2.318 1.00 0.26 H new ATOM 1294 N GLU A 129 3.516 -2.597 4.587 1.00 0.13 N ATOM 1295 CA GLU A 129 2.169 -2.562 5.136 1.00 0.16 C ATOM 1296 C GLU A 129 1.157 -2.370 4.038 1.00 0.15 C ATOM 1297 O GLU A 129 0.354 -3.247 3.773 1.00 0.17 O ATOM 1298 CB GLU A 129 2.012 -1.418 6.138 1.00 0.23 C ATOM 1299 CG GLU A 129 2.717 -1.651 7.453 1.00 0.29 C ATOM 1300 CD GLU A 129 2.377 -0.601 8.491 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.346 -0.742 9.180 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.145 0.376 8.624 1.00 1.03 O ATOM 0 H GLU A 129 4.152 -1.911 4.994 1.00 0.13 H new ATOM 0 HA GLU A 129 2.000 -3.514 5.640 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.395 -0.501 5.690 1.00 0.23 H new ATOM 0 HB3 GLU A 129 0.951 -1.260 6.330 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.448 -2.635 7.836 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.794 -1.657 7.287 1.00 0.29 H new ATOM 1309 N LEU A 130 1.256 -1.233 3.376 1.00 0.14 N ATOM 1310 CA LEU A 130 0.315 -0.830 2.342 1.00 0.15 C ATOM 1311 C LEU A 130 0.109 -1.925 1.294 1.00 0.15 C ATOM 1312 O LEU A 130 -1.012 -2.168 0.854 1.00 0.18 O ATOM 1313 CB LEU A 130 0.831 0.451 1.691 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.141 1.166 0.767 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.489 1.353 1.449 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.449 2.507 0.363 1.00 0.12 C ATOM 0 H LEU A 130 1.999 -0.554 3.541 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.658 -0.654 2.801 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.127 1.142 2.480 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.730 0.210 1.124 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.302 0.562 -0.126 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.171 1.867 0.772 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.902 0.379 1.711 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.360 1.947 2.353 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.244 3.025 -0.300 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.620 3.112 1.253 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.395 2.347 -0.154 1.00 0.12 H new ATOM 1328 N CYS A 131 1.188 -2.599 0.924 1.00 0.14 N ATOM 1329 CA CYS A 131 1.121 -3.670 -0.064 1.00 0.17 C ATOM 1330 C CYS A 131 0.364 -4.880 0.484 1.00 0.18 C ATOM 1331 O CYS A 131 -0.536 -5.408 -0.172 1.00 0.21 O ATOM 1332 CB CYS A 131 2.533 -4.078 -0.488 1.00 0.20 C ATOM 1333 SG CYS A 131 2.592 -5.343 -1.777 1.00 0.53 S ATOM 0 H CYS A 131 2.123 -2.424 1.293 1.00 0.14 H new ATOM 0 HA CYS A 131 0.578 -3.299 -0.933 1.00 0.17 H new ATOM 0 HB2 CYS A 131 3.063 -3.193 -0.841 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.070 -4.444 0.387 1.00 0.20 H new ATOM 0 HG CYS A 131 3.788 -5.389 -2.285 1.00 0.53 H new ATOM 1339 N THR A 132 0.707 -5.303 1.694 1.00 0.19 N ATOM 1340 CA THR A 132 0.066 -6.463 2.293 1.00 0.23 C ATOM 1341 C THR A 132 -1.363 -6.112 2.682 1.00 0.21 C ATOM 1342 O THR A 132 -2.277 -6.930 2.583 1.00 0.22 O ATOM 1343 CB THR A 132 0.833 -6.945 3.535 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.239 -6.999 3.248 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.346 -8.322 3.963 1.00 0.36 C ATOM 0 H THR A 132 1.420 -4.863 2.275 1.00 0.19 H new ATOM 0 HA THR A 132 0.065 -7.268 1.559 1.00 0.23 H new ATOM 0 HB THR A 132 0.654 -6.241 4.348 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.608 -6.091 3.246 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.900 -8.647 4.844 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.717 -8.274 4.201 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.505 -9.033 3.152 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.529 -4.865 3.092 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.817 -4.290 3.428 1.00 0.17 C ATOM 1355 C VAL A 133 -3.805 -4.495 2.293 1.00 0.18 C ATOM 1356 O VAL A 133 -4.953 -4.889 2.515 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.654 -2.781 3.718 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -3.939 -2.020 3.459 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.175 -2.553 5.150 1.00 0.18 C ATOM 0 H VAL A 133 -0.753 -4.212 3.202 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.202 -4.790 4.317 1.00 0.17 H new ATOM 0 HB VAL A 133 -1.898 -2.397 3.033 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.785 -0.963 3.674 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.229 -2.140 2.415 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.729 -2.410 4.102 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.067 -1.484 5.332 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.903 -2.968 5.847 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.213 -3.044 5.294 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.331 -4.247 1.080 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.146 -4.381 -0.110 1.00 0.20 C ATOM 1371 C LEU A 134 -4.796 -5.751 -0.175 1.00 0.23 C ATOM 1372 O LEU A 134 -6.008 -5.860 -0.288 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.286 -4.153 -1.353 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.762 -2.728 -1.500 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.788 -2.613 -2.652 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -3.917 -1.782 -1.704 1.00 0.20 C ATOM 0 H LEU A 134 -2.373 -3.948 0.898 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.936 -3.631 -0.071 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.439 -4.838 -1.325 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.871 -4.406 -2.237 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.230 -2.465 -0.586 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.434 -1.585 -2.728 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -0.941 -3.276 -2.480 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.286 -2.895 -3.579 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.540 -0.765 -1.809 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.462 -2.062 -2.606 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.586 -1.834 -0.845 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.997 -6.795 -0.058 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.511 -8.148 -0.192 1.00 0.29 C ATOM 1390 C LYS A 135 -5.186 -8.635 1.079 1.00 0.30 C ATOM 1391 O LYS A 135 -6.178 -9.351 1.017 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.402 -9.103 -0.605 1.00 0.33 C ATOM 1393 CG LYS A 135 -3.282 -9.252 -2.108 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.555 -9.830 -2.701 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.436 -9.999 -4.205 1.00 0.91 C ATOM 1396 NZ LYS A 135 -5.590 -10.741 -4.774 1.00 1.59 N ATOM 0 H LYS A 135 -2.996 -6.735 0.128 1.00 0.25 H new ATOM 0 HA LYS A 135 -5.270 -8.127 -0.974 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.454 -8.746 -0.203 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.588 -10.081 -0.162 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -3.075 -8.281 -2.558 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.439 -9.900 -2.347 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.768 -10.795 -2.240 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -5.395 -9.175 -2.472 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -4.368 -9.018 -4.676 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -3.513 -10.530 -4.438 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -5.245 -11.571 -5.298 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -6.216 -11.053 -4.004 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -6.118 -10.120 -5.419 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.652 -8.232 2.221 1.00 0.27 N ATOM 1411 CA ALA A 136 -5.156 -8.688 3.514 1.00 0.30 C ATOM 1412 C ALA A 136 -6.630 -8.350 3.708 1.00 0.31 C ATOM 1413 O ALA A 136 -7.364 -9.101 4.347 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.341 -8.084 4.653 1.00 0.33 C ATOM 0 H ALA A 136 -3.865 -7.586 2.282 1.00 0.27 H new ATOM 0 HA ALA A 136 -5.054 -9.773 3.527 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.733 -8.436 5.607 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.298 -8.387 4.555 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.409 -6.997 4.612 1.00 0.33 H new ATOM 1420 N HIS A 137 -7.066 -7.221 3.164 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.403 -6.738 3.436 1.00 0.35 C ATOM 1422 C HIS A 137 -9.269 -6.693 2.179 1.00 0.35 C ATOM 1423 O HIS A 137 -10.463 -6.391 2.249 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.329 -5.364 4.090 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.383 -5.296 5.255 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -7.685 -5.779 6.507 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.109 -4.838 5.333 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -6.640 -5.626 7.300 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -5.668 -5.057 6.612 1.00 0.49 N ATOM 0 H HIS A 137 -6.516 -6.632 2.539 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.879 -7.440 4.120 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -8.023 -4.632 3.342 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.326 -5.078 4.426 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -5.544 -4.383 4.533 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -6.589 -5.918 8.339 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -4.743 -4.820 6.972 1.00 0.49 H new ATOM 1438 N SER A 138 -8.674 -6.995 1.035 1.00 0.31 N ATOM 1439 CA SER A 138 -9.411 -7.062 -0.219 1.00 0.33 C ATOM 1440 C SER A 138 -9.450 -8.516 -0.689 1.00 0.55 C ATOM 1441 O SER A 138 -9.086 -9.404 0.075 1.00 1.05 O ATOM 1442 CB SER A 138 -8.808 -6.139 -1.289 1.00 0.38 C ATOM 1443 OG SER A 138 -7.724 -6.758 -1.950 1.00 1.00 O ATOM 0 H SER A 138 -7.678 -7.199 0.949 1.00 0.31 H new ATOM 0 HA SER A 138 -10.428 -6.707 -0.053 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.575 -5.872 -2.016 1.00 0.38 H new ATOM 0 HB3 SER A 138 -8.472 -5.212 -0.825 1.00 0.38 H new ATOM 0 HG SER A 138 -6.940 -6.758 -1.362 1.00 1.00 H new ATOM 1624 N SER B 27 4.447 -11.066 2.862 1.00 0.55 N ATOM 1625 CA SER B 27 4.061 -9.800 3.474 1.00 0.54 C ATOM 1626 C SER B 27 5.178 -8.759 3.359 1.00 0.44 C ATOM 1627 O SER B 27 5.513 -8.316 2.261 1.00 0.53 O ATOM 1628 CB SER B 27 3.648 -10.027 4.934 1.00 0.75 C ATOM 1629 OG SER B 27 3.129 -8.853 5.544 1.00 1.37 O ATOM 0 HA SER B 27 3.203 -9.402 2.933 1.00 0.54 H new ATOM 0 HB2 SER B 27 2.898 -10.816 4.977 1.00 0.75 H new ATOM 0 HB3 SER B 27 4.511 -10.376 5.502 1.00 0.75 H new ATOM 0 HG SER B 27 3.760 -8.530 6.220 1.00 1.37 H new ATOM 1635 N ASP B 28 5.765 -8.401 4.491 1.00 0.43 N ATOM 1636 CA ASP B 28 6.771 -7.344 4.547 1.00 0.37 C ATOM 1637 C ASP B 28 8.075 -7.800 3.912 1.00 0.33 C ATOM 1638 O ASP B 28 8.653 -7.104 3.078 1.00 0.31 O ATOM 1639 CB ASP B 28 7.017 -6.908 6.005 1.00 0.44 C ATOM 1640 CG ASP B 28 5.756 -6.420 6.693 1.00 0.95 C ATOM 1641 OD1 ASP B 28 4.795 -7.207 6.817 1.00 1.07 O ATOM 1642 OD2 ASP B 28 5.712 -5.239 7.105 1.00 1.83 O ATOM 0 H ASP B 28 5.561 -8.830 5.393 1.00 0.43 H new ATOM 0 HA ASP B 28 6.393 -6.491 3.983 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.430 -7.747 6.566 1.00 0.44 H new ATOM 0 HB3 ASP B 28 7.764 -6.115 6.021 1.00 0.44 H new ATOM 1647 N SER B 29 8.507 -8.996 4.269 1.00 0.36 N ATOM 1648 CA SER B 29 9.790 -9.508 3.822 1.00 0.34 C ATOM 1649 C SER B 29 9.846 -9.690 2.313 1.00 0.33 C ATOM 1650 O SER B 29 10.929 -9.798 1.740 1.00 0.34 O ATOM 1651 CB SER B 29 10.112 -10.801 4.544 1.00 0.39 C ATOM 1652 OG SER B 29 8.927 -11.490 4.905 1.00 1.07 O ATOM 0 H SER B 29 7.985 -9.634 4.870 1.00 0.36 H new ATOM 0 HA SER B 29 10.549 -8.766 4.071 1.00 0.34 H new ATOM 0 HB2 SER B 29 10.725 -11.436 3.905 1.00 0.39 H new ATOM 0 HB3 SER B 29 10.699 -10.587 5.437 1.00 0.39 H new ATOM 0 HG SER B 29 9.160 -12.322 5.368 1.00 1.07 H new ATOM 1658 N GLU B 30 8.683 -9.701 1.678 1.00 0.35 N ATOM 1659 CA GLU B 30 8.591 -9.761 0.221 1.00 0.37 C ATOM 1660 C GLU B 30 9.350 -8.591 -0.407 1.00 0.34 C ATOM 1661 O GLU B 30 10.034 -8.739 -1.415 1.00 0.39 O ATOM 1662 CB GLU B 30 7.137 -9.724 -0.209 1.00 0.45 C ATOM 1663 CG GLU B 30 6.954 -9.937 -1.684 1.00 0.68 C ATOM 1664 CD GLU B 30 7.426 -11.295 -2.157 1.00 1.37 C ATOM 1665 OE1 GLU B 30 6.660 -12.275 -2.034 1.00 1.57 O ATOM 1666 OE2 GLU B 30 8.578 -11.392 -2.629 1.00 2.33 O ATOM 0 H GLU B 30 7.780 -9.669 2.152 1.00 0.35 H new ATOM 0 HA GLU B 30 9.040 -10.694 -0.120 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.584 -10.490 0.334 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.706 -8.762 0.069 1.00 0.45 H new ATOM 0 HG2 GLU B 30 5.899 -9.820 -1.933 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.497 -9.163 -2.226 1.00 0.68 H new ATOM 1673 N LEU B 31 9.225 -7.433 0.214 1.00 0.28 N ATOM 1674 CA LEU B 31 9.947 -6.248 -0.193 1.00 0.24 C ATOM 1675 C LEU B 31 11.404 -6.412 0.170 1.00 0.25 C ATOM 1676 O LEU B 31 12.311 -6.220 -0.640 1.00 0.26 O ATOM 1677 CB LEU B 31 9.437 -5.040 0.558 1.00 0.20 C ATOM 1678 CG LEU B 31 8.012 -4.555 0.270 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.888 -3.953 -1.110 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.995 -5.654 0.477 1.00 0.24 C ATOM 0 H LEU B 31 8.616 -7.290 1.019 1.00 0.28 H new ATOM 0 HA LEU B 31 9.812 -6.113 -1.266 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.505 -5.258 1.624 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.117 -4.212 0.358 1.00 0.20 H new ATOM 0 HG LEU B 31 7.798 -3.766 0.990 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.862 -3.623 -1.272 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.562 -3.101 -1.197 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.151 -4.701 -1.858 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.997 -5.271 0.263 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.216 -6.485 -0.193 1.00 0.24 H new ATOM 0 HD23 LEU B 31 7.037 -5.999 1.510 1.00 0.24 H new ATOM 1692 N GLU B 32 11.585 -6.782 1.426 1.00 0.26 N ATOM 1693 CA GLU B 32 12.898 -6.924 2.051 1.00 0.29 C ATOM 1694 C GLU B 32 13.826 -7.832 1.252 1.00 0.33 C ATOM 1695 O GLU B 32 15.045 -7.757 1.390 1.00 0.38 O ATOM 1696 CB GLU B 32 12.753 -7.462 3.473 1.00 0.29 C ATOM 1697 CG GLU B 32 11.668 -6.776 4.290 1.00 0.26 C ATOM 1698 CD GLU B 32 11.797 -7.059 5.775 1.00 0.34 C ATOM 1699 OE1 GLU B 32 12.773 -6.576 6.394 1.00 0.47 O ATOM 1700 OE2 GLU B 32 10.939 -7.775 6.332 1.00 0.59 O ATOM 0 H GLU B 32 10.812 -6.997 2.056 1.00 0.26 H new ATOM 0 HA GLU B 32 13.347 -5.931 2.075 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.537 -8.529 3.426 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.706 -7.352 3.990 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.716 -5.700 4.122 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.690 -7.109 3.943 1.00 0.26 H new ATOM 1707 N GLN B 33 13.232 -8.676 0.427 1.00 0.35 N ATOM 1708 CA GLN B 33 13.974 -9.589 -0.440 1.00 0.40 C ATOM 1709 C GLN B 33 15.052 -8.857 -1.217 1.00 0.39 C ATOM 1710 O GLN B 33 16.222 -9.239 -1.205 1.00 0.48 O ATOM 1711 CB GLN B 33 13.031 -10.240 -1.442 1.00 0.43 C ATOM 1712 CG GLN B 33 11.900 -11.011 -0.820 1.00 0.47 C ATOM 1713 CD GLN B 33 12.376 -12.202 -0.024 1.00 0.57 C ATOM 1714 OE1 GLN B 33 12.584 -13.286 -0.571 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.531 -12.015 1.270 1.00 0.57 N ATOM 0 H GLN B 33 12.219 -8.752 0.335 1.00 0.35 H new ATOM 0 HA GLN B 33 14.435 -10.342 0.199 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.615 -9.466 -2.087 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.605 -10.912 -2.080 1.00 0.43 H new ATOM 0 HG2 GLN B 33 11.329 -10.349 -0.169 1.00 0.47 H new ATOM 0 HG3 GLN B 33 11.222 -11.350 -1.604 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.347 -11.099 1.679 1.00 0.57 H new ATOM 0 HE22 GLN B 33 12.835 -12.786 1.864 1.00 0.57 H new ATOM 1724 N TYR B 34 14.642 -7.798 -1.884 1.00 0.32 N ATOM 1725 CA TYR B 34 15.515 -7.092 -2.802 1.00 0.32 C ATOM 1726 C TYR B 34 15.805 -5.668 -2.345 1.00 0.30 C ATOM 1727 O TYR B 34 16.823 -5.091 -2.728 1.00 0.37 O ATOM 1728 CB TYR B 34 14.891 -7.080 -4.198 1.00 0.32 C ATOM 1729 CG TYR B 34 13.385 -7.216 -4.179 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.592 -6.254 -3.577 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.757 -8.311 -4.754 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.232 -6.372 -3.541 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.383 -8.437 -4.726 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.625 -7.464 -4.119 1.00 0.34 C ATOM 1735 OH TYR B 34 9.258 -7.593 -4.074 1.00 0.40 O ATOM 0 H TYR B 34 13.704 -7.405 -1.807 1.00 0.32 H new ATOM 0 HA TYR B 34 16.467 -7.622 -2.825 1.00 0.32 H new ATOM 0 HB2 TYR B 34 15.159 -6.151 -4.701 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.315 -7.894 -4.786 1.00 0.32 H new ATOM 0 HD1 TYR B 34 13.059 -5.391 -3.126 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.352 -9.076 -5.231 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.635 -5.611 -3.061 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.906 -9.294 -5.178 1.00 0.42 H new ATOM 0 HH TYR B 34 8.849 -6.709 -3.969 1.00 0.40 H new ATOM 1745 N PHE B 35 14.923 -5.090 -1.535 1.00 0.27 N ATOM 1746 CA PHE B 35 15.119 -3.720 -1.097 1.00 0.26 C ATOM 1747 C PHE B 35 14.534 -3.470 0.286 1.00 0.25 C ATOM 1748 O PHE B 35 13.516 -4.045 0.649 1.00 0.25 O ATOM 1749 CB PHE B 35 14.546 -2.722 -2.121 1.00 0.25 C ATOM 1750 CG PHE B 35 13.095 -2.892 -2.491 1.00 0.21 C ATOM 1751 CD1 PHE B 35 12.097 -2.828 -1.538 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.736 -3.088 -3.814 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.776 -2.960 -1.886 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.409 -3.225 -4.172 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.427 -3.161 -3.205 1.00 0.18 C ATOM 0 H PHE B 35 14.082 -5.542 -1.176 1.00 0.27 H new ATOM 0 HA PHE B 35 16.195 -3.561 -1.027 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.681 -1.715 -1.727 1.00 0.25 H new ATOM 0 HB3 PHE B 35 15.140 -2.790 -3.032 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.361 -2.672 -0.502 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.502 -3.134 -4.574 1.00 0.22 H new ATOM 0 HE1 PHE B 35 10.010 -2.906 -1.127 1.00 0.16 H new ATOM 0 HE2 PHE B 35 11.141 -3.382 -5.206 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.388 -3.268 -3.480 1.00 0.18 H new ATOM 1765 N THR B 36 15.225 -2.639 1.058 1.00 0.27 N ATOM 1766 CA THR B 36 14.726 -2.121 2.328 1.00 0.27 C ATOM 1767 C THR B 36 15.651 -1.033 2.855 1.00 0.32 C ATOM 1768 O THR B 36 16.658 -0.710 2.226 1.00 0.45 O ATOM 1769 CB THR B 36 14.546 -3.210 3.403 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.379 -4.343 3.125 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.096 -3.627 3.475 1.00 0.27 C ATOM 0 H THR B 36 16.157 -2.302 0.818 1.00 0.27 H new ATOM 0 HA THR B 36 13.738 -1.709 2.122 1.00 0.27 H new ATOM 0 HB THR B 36 14.845 -2.799 4.367 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.251 -5.022 3.820 1.00 0.31 H new ATOM 0 HG21 THR B 36 12.976 -4.397 4.237 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.482 -2.764 3.732 1.00 0.27 H new ATOM 0 HG23 THR B 36 12.782 -4.021 2.508 1.00 0.27 H new ATOM 1779 N ALA B 37 15.300 -0.472 4.003 1.00 0.32 N ATOM 1780 CA ALA B 37 16.054 0.624 4.595 1.00 0.35 C ATOM 1781 C ALA B 37 16.799 0.151 5.840 1.00 0.43 C ATOM 1782 O ALA B 37 17.033 -1.047 6.007 1.00 0.53 O ATOM 1783 CB ALA B 37 15.117 1.771 4.941 1.00 0.29 C ATOM 0 H ALA B 37 14.488 -0.762 4.548 1.00 0.32 H new ATOM 0 HA ALA B 37 16.789 0.975 3.870 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.689 2.587 5.383 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.623 2.123 4.035 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.367 1.426 5.653 1.00 0.29 H new ATOM 1789 N ARG B 38 17.165 1.092 6.706 1.00 0.44 N ATOM 1790 CA ARG B 38 17.898 0.772 7.929 1.00 0.52 C ATOM 1791 C ARG B 38 17.074 -0.128 8.847 1.00 0.56 C ATOM 1792 O ARG B 38 17.596 -1.088 9.408 1.00 0.67 O ATOM 1793 CB ARG B 38 18.312 2.055 8.672 1.00 0.57 C ATOM 1794 CG ARG B 38 17.161 2.811 9.327 1.00 0.67 C ATOM 1795 CD ARG B 38 16.799 4.059 8.560 1.00 0.93 C ATOM 1796 NE ARG B 38 17.761 5.137 8.787 1.00 1.60 N ATOM 1797 CZ ARG B 38 18.055 6.087 7.898 1.00 2.28 C ATOM 1798 NH1 ARG B 38 17.511 6.072 6.687 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.912 7.045 8.219 1.00 2.94 N ATOM 0 H ARG B 38 16.966 2.085 6.584 1.00 0.44 H new ATOM 0 HA ARG B 38 18.800 0.231 7.641 1.00 0.52 H new ATOM 0 HB2 ARG B 38 19.041 1.795 9.439 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.812 2.721 7.969 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.290 2.160 9.393 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.436 3.079 10.347 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.754 3.831 7.495 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.804 4.392 8.857 1.00 0.93 H new ATOM 0 HE ARG B 38 18.240 5.164 9.687 1.00 1.60 H new ATOM 0 HH11 ARG B 38 16.861 5.329 6.429 1.00 2.75 H new ATOM 0 HH12 ARG B 38 17.743 6.803 6.015 1.00 2.75 H new ATOM 0 HH21 ARG B 38 19.344 7.054 9.143 1.00 2.94 H new ATOM 0 HH22 ARG B 38 19.140 7.773 7.542 1.00 2.94 H new ATOM 1813 N TRP B 39 15.785 0.190 8.967 1.00 0.54 N ATOM 1814 CA TRP B 39 14.845 -0.568 9.786 1.00 0.64 C ATOM 1815 C TRP B 39 15.390 -0.851 11.183 1.00 0.85 C ATOM 1816 O TRP B 39 15.802 -1.999 11.446 1.00 1.41 O ATOM 1817 CB TRP B 39 14.463 -1.859 9.069 1.00 0.60 C ATOM 1818 CG TRP B 39 13.629 -1.595 7.871 1.00 0.43 C ATOM 1819 CD1 TRP B 39 13.781 -0.582 6.987 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.508 -2.346 7.438 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.808 -0.643 6.025 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.015 -1.731 6.279 1.00 0.23 C ATOM 1823 CE3 TRP B 39 11.870 -3.480 7.919 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 10.912 -2.222 5.597 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 10.782 -3.960 7.238 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.310 -3.332 6.091 1.00 0.25 C ATOM 1827 OXT TRP B 39 15.402 0.086 12.007 1.00 1.45 O ATOM 0 H TRP B 39 15.362 0.988 8.493 1.00 0.54 H new ATOM 0 HA TRP B 39 13.952 0.041 9.924 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.367 -2.392 8.773 1.00 0.60 H new ATOM 0 HB3 TRP B 39 13.920 -2.509 9.755 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.558 0.167 7.033 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.693 0.011 5.251 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.223 -3.974 8.812 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.545 -1.738 4.704 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.280 -4.845 7.600 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.447 -3.736 5.583 1.00 0.25 H new