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 92 GLN : amide:sc= -2.38 X(o=-2.7,f=-2.8!) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.354 X(o=-2.7,f=-2.3) USER MOD Set 2.1: A 75 LYS NZ :NH3+ 139:sc= 0.484 (180deg=-2.68) USER MOD Set 2.2: A 89 TYR OH : rot 30:sc= -0.135 USER MOD Set 3.1: A 74 CYS SG : rot -45:sc= -0.326 USER MOD Set 3.2: A 78 THR OG1 : rot -32:sc= 2.1 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= 0.757 K(o=0.76,f=-2.5) USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= -2.37! (180deg=-3.82!) USER MOD Single : A 76 MET CE :methyl -134:sc= -0.526 (180deg=-3.29!) USER MOD Single : A 77 GLN : amide:sc= -4.01! C(o=-4!,f=-3.8!) USER MOD Single : A 81 HIS : no HE2:sc= -0.332 K(o=-0.33,f=-6.8!) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.386 K(o=-0.39,f=-1.4) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -0.12 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0.291 X(o=0.29,f=0) USER MOD Single : A 110 SER OG : rot -82:sc= 0.344 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+ -179:sc= 0.582 (180deg=0.582) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.272 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -12! C(o=-12!,f=-13!) USER MOD Single : A 131 CYS SG : rot 148:sc= -0.768 USER MOD Single : A 132 THR OG1 : rot 71:sc= 0.656 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS : no HD1:sc= -0.312 X(o=-0.31,f=0) USER MOD Single : A 138 SER OG : rot 72:sc= -3.47! USER MOD Single : B 27 SER OG : rot -30:sc= 0.559 USER MOD Single : B 29 SER OG : rot 180:sc= 0.116 USER MOD Single : B 33 GLN : amide:sc= 0.486 X(o=0.49,f=-0.00081) USER MOD Single : B 34 TYR OH : rot 18:sc= 0.164 USER MOD Single : B 36 THR OG1 : rot 180:sc= -0.0227 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -14.595 5.704 -1.286 1.00 0.57 N ATOM 118 CA TYR A 59 -13.330 6.384 -1.066 1.00 0.44 C ATOM 119 C TYR A 59 -12.349 6.069 -2.184 1.00 0.41 C ATOM 120 O TYR A 59 -11.161 6.360 -2.072 1.00 0.42 O ATOM 121 CB TYR A 59 -12.724 5.997 0.290 1.00 0.66 C ATOM 122 CG TYR A 59 -13.408 6.639 1.465 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.645 6.195 1.867 1.00 1.04 C ATOM 124 CD2 TYR A 59 -12.818 7.680 2.167 1.00 1.06 C ATOM 125 CE1 TYR A 59 -15.297 6.765 2.942 1.00 1.27 C ATOM 126 CE2 TYR A 59 -13.456 8.260 3.247 1.00 1.30 C ATOM 127 CZ TYR A 59 -14.698 7.799 3.631 1.00 1.34 C ATOM 128 OH TYR A 59 -15.339 8.369 4.707 1.00 1.64 O ATOM 0 HA TYR A 59 -13.526 7.456 -1.062 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.770 4.914 0.402 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.670 6.274 0.299 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -15.116 5.384 1.331 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -11.846 8.042 1.865 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -16.270 6.404 3.242 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -12.985 9.069 3.787 1.00 1.30 H new ATOM 0 HH TYR A 59 -14.780 9.082 5.080 1.00 1.64 H new ATOM 138 N LYS A 60 -12.855 5.481 -3.268 1.00 0.42 N ATOM 139 CA LYS A 60 -12.009 5.079 -4.391 1.00 0.43 C ATOM 140 C LYS A 60 -11.163 6.240 -4.903 1.00 0.40 C ATOM 141 O LYS A 60 -9.940 6.177 -4.860 1.00 0.41 O ATOM 142 CB LYS A 60 -12.841 4.487 -5.536 1.00 0.52 C ATOM 143 CG LYS A 60 -14.125 5.244 -5.852 1.00 1.16 C ATOM 144 CD LYS A 60 -14.630 4.922 -7.256 1.00 1.35 C ATOM 145 CE LYS A 60 -14.790 3.422 -7.489 1.00 1.75 C ATOM 146 NZ LYS A 60 -15.950 2.857 -6.755 1.00 2.29 N ATOM 0 H LYS A 60 -13.846 5.273 -3.392 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.337 4.307 -4.018 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -12.225 4.454 -6.435 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.095 3.457 -5.286 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -14.891 4.986 -5.120 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -13.948 6.316 -5.764 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -15.588 5.416 -7.416 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -13.935 5.329 -7.991 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -14.911 3.233 -8.556 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -13.880 2.909 -7.176 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -16.017 1.837 -6.945 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -15.824 3.012 -5.734 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -16.823 3.326 -7.071 1.00 2.29 H new ATOM 160 N LEU A 61 -11.821 7.300 -5.359 1.00 0.45 N ATOM 161 CA LEU A 61 -11.132 8.474 -5.899 1.00 0.49 C ATOM 162 C LEU A 61 -10.058 8.982 -4.938 1.00 0.38 C ATOM 163 O LEU A 61 -8.936 9.278 -5.351 1.00 0.41 O ATOM 164 CB LEU A 61 -12.134 9.598 -6.216 1.00 0.62 C ATOM 165 CG LEU A 61 -13.000 10.087 -5.043 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.477 11.509 -5.294 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.200 9.172 -4.828 1.00 0.81 C ATOM 0 H LEU A 61 -12.838 7.373 -5.367 1.00 0.45 H new ATOM 0 HA LEU A 61 -10.643 8.169 -6.824 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -11.580 10.450 -6.611 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -12.796 9.253 -7.010 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.385 10.068 -4.143 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -14.089 11.841 -4.455 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.616 12.169 -5.398 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -14.069 11.538 -6.209 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.794 9.542 -3.993 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -14.812 9.156 -5.730 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -13.853 8.163 -4.608 1.00 0.81 H new ATOM 179 N GLU A 62 -10.407 9.064 -3.660 1.00 0.33 N ATOM 180 CA GLU A 62 -9.466 9.481 -2.631 1.00 0.30 C ATOM 181 C GLU A 62 -8.281 8.549 -2.551 1.00 0.26 C ATOM 182 O GLU A 62 -7.146 8.980 -2.699 1.00 0.32 O ATOM 183 CB GLU A 62 -10.164 9.541 -1.278 1.00 0.41 C ATOM 184 CG GLU A 62 -10.947 10.812 -1.103 1.00 0.50 C ATOM 185 CD GLU A 62 -11.610 10.934 0.251 1.00 1.29 C ATOM 186 OE1 GLU A 62 -12.699 10.352 0.439 1.00 2.00 O ATOM 187 OE2 GLU A 62 -11.029 11.580 1.144 1.00 1.51 O ATOM 0 H GLU A 62 -11.340 8.846 -3.311 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.099 10.472 -2.899 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.833 8.686 -1.177 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.422 9.460 -0.484 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -10.281 11.662 -1.250 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.711 10.868 -1.879 1.00 0.50 H new ATOM 194 N ASN A 63 -8.560 7.273 -2.373 1.00 0.24 N ATOM 195 CA ASN A 63 -7.520 6.276 -2.151 1.00 0.23 C ATOM 196 C ASN A 63 -6.647 6.089 -3.387 1.00 0.21 C ATOM 197 O ASN A 63 -5.479 5.733 -3.272 1.00 0.22 O ATOM 198 CB ASN A 63 -8.143 4.943 -1.728 1.00 0.33 C ATOM 199 CG ASN A 63 -8.878 5.033 -0.399 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.516 5.816 0.478 1.00 2.24 O ATOM 201 ND2 ASN A 63 -9.922 4.230 -0.244 1.00 0.90 N ATOM 0 H ASN A 63 -9.507 6.895 -2.377 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.879 6.638 -1.347 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -8.837 4.610 -2.500 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -7.360 4.188 -1.655 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.455 4.249 0.625 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -10.192 3.594 -0.994 1.00 0.90 H new ATOM 208 N GLU A 64 -7.207 6.332 -4.564 1.00 0.23 N ATOM 209 CA GLU A 64 -6.442 6.263 -5.798 1.00 0.29 C ATOM 210 C GLU A 64 -5.353 7.330 -5.832 1.00 0.29 C ATOM 211 O GLU A 64 -4.178 7.024 -6.029 1.00 0.35 O ATOM 212 CB GLU A 64 -7.363 6.429 -6.999 1.00 0.38 C ATOM 213 CG GLU A 64 -8.322 5.276 -7.186 1.00 0.41 C ATOM 214 CD GLU A 64 -8.938 5.259 -8.568 1.00 0.56 C ATOM 215 OE1 GLU A 64 -8.207 5.475 -9.553 1.00 0.88 O ATOM 216 OE2 GLU A 64 -10.163 5.025 -8.672 1.00 0.69 O ATOM 0 H GLU A 64 -8.189 6.579 -4.689 1.00 0.23 H new ATOM 0 HA GLU A 64 -5.965 5.284 -5.841 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -7.933 7.351 -6.885 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -6.758 6.538 -7.899 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -7.796 4.337 -7.014 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.113 5.340 -6.439 1.00 0.41 H new ATOM 223 N LYS A 65 -5.747 8.580 -5.618 1.00 0.27 N ATOM 224 CA LYS A 65 -4.791 9.684 -5.625 1.00 0.30 C ATOM 225 C LYS A 65 -3.947 9.631 -4.370 1.00 0.23 C ATOM 226 O LYS A 65 -2.795 10.035 -4.353 1.00 0.30 O ATOM 227 CB LYS A 65 -5.506 11.021 -5.706 1.00 0.39 C ATOM 228 CG LYS A 65 -6.585 11.062 -6.757 1.00 0.65 C ATOM 229 CD LYS A 65 -7.150 12.466 -6.940 1.00 1.23 C ATOM 230 CE LYS A 65 -6.250 13.351 -7.802 1.00 2.14 C ATOM 231 NZ LYS A 65 -4.907 13.581 -7.198 1.00 2.98 N ATOM 0 H LYS A 65 -6.713 8.854 -5.439 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.153 9.583 -6.503 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -5.946 11.248 -4.735 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -4.776 11.803 -5.915 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.181 10.707 -7.705 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.389 10.381 -6.478 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -8.137 12.400 -7.399 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -7.283 12.931 -5.963 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -6.127 12.889 -8.782 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -6.740 14.312 -7.961 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -4.489 14.445 -7.599 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -5.003 13.689 -6.168 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -4.290 12.770 -7.405 1.00 2.98 H new ATOM 245 N LEU A 66 -4.554 9.134 -3.322 1.00 0.16 N ATOM 246 CA LEU A 66 -3.879 8.931 -2.056 1.00 0.15 C ATOM 247 C LEU A 66 -2.711 7.975 -2.205 1.00 0.15 C ATOM 248 O LEU A 66 -1.603 8.241 -1.738 1.00 0.18 O ATOM 249 CB LEU A 66 -4.877 8.360 -1.071 1.00 0.15 C ATOM 250 CG LEU A 66 -5.127 9.216 0.140 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.473 8.875 0.758 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.985 9.010 1.110 1.00 0.22 C ATOM 0 H LEU A 66 -5.535 8.856 -3.319 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.489 9.885 -1.702 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.824 8.199 -1.587 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.523 7.383 -0.741 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.167 10.270 -0.135 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.641 9.502 1.634 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.263 9.051 0.028 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.481 7.826 1.056 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -4.146 9.622 1.997 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.937 7.960 1.398 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -3.048 9.299 0.635 1.00 0.22 H new ATOM 264 N PHE A 67 -2.987 6.847 -2.828 1.00 0.14 N ATOM 265 CA PHE A 67 -1.978 5.843 -3.096 1.00 0.15 C ATOM 266 C PHE A 67 -0.787 6.441 -3.837 1.00 0.17 C ATOM 267 O PHE A 67 0.367 6.165 -3.502 1.00 0.20 O ATOM 268 CB PHE A 67 -2.581 4.697 -3.904 1.00 0.15 C ATOM 269 CG PHE A 67 -1.933 3.392 -3.601 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.774 3.007 -4.240 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.476 2.563 -2.646 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.168 1.808 -3.935 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.879 1.366 -2.328 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.720 0.983 -2.974 1.00 0.19 C ATOM 0 H PHE A 67 -3.918 6.601 -3.163 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.621 5.458 -2.141 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.648 4.628 -3.693 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.480 4.912 -4.968 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.336 3.652 -4.988 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.383 2.857 -2.139 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.737 1.514 -4.446 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.315 0.727 -1.575 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.247 0.043 -2.729 1.00 0.19 H new ATOM 284 N GLU A 68 -1.060 7.268 -4.837 1.00 0.18 N ATOM 285 CA GLU A 68 0.013 7.904 -5.581 1.00 0.23 C ATOM 286 C GLU A 68 0.715 8.983 -4.752 1.00 0.19 C ATOM 287 O GLU A 68 1.879 9.271 -5.007 1.00 0.24 O ATOM 288 CB GLU A 68 -0.463 8.456 -6.933 1.00 0.40 C ATOM 289 CG GLU A 68 -1.646 9.385 -6.847 1.00 0.54 C ATOM 290 CD GLU A 68 -2.025 10.004 -8.177 1.00 1.13 C ATOM 291 OE1 GLU A 68 -1.949 9.304 -9.213 1.00 1.39 O ATOM 292 OE2 GLU A 68 -2.422 11.189 -8.189 1.00 1.81 O ATOM 0 H GLU A 68 -2.001 7.510 -5.147 1.00 0.18 H new ATOM 0 HA GLU A 68 0.746 7.126 -5.796 1.00 0.23 H new ATOM 0 HB2 GLU A 68 0.364 8.984 -7.407 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -0.721 7.619 -7.582 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.501 8.836 -6.454 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.423 10.180 -6.135 1.00 0.54 H new ATOM 299 N GLU A 69 0.039 9.554 -3.740 1.00 0.19 N ATOM 300 CA GLU A 69 0.696 10.527 -2.859 1.00 0.22 C ATOM 301 C GLU A 69 1.907 9.870 -2.204 1.00 0.20 C ATOM 302 O GLU A 69 2.950 10.493 -1.996 1.00 0.28 O ATOM 303 CB GLU A 69 -0.252 11.047 -1.773 1.00 0.26 C ATOM 304 CG GLU A 69 -1.528 11.647 -2.316 1.00 0.34 C ATOM 305 CD GLU A 69 -2.364 12.333 -1.258 1.00 1.02 C ATOM 306 OE1 GLU A 69 -1.884 13.322 -0.668 1.00 1.31 O ATOM 307 OE2 GLU A 69 -3.517 11.911 -1.028 1.00 1.78 O ATOM 0 H GLU A 69 -0.938 9.363 -3.517 1.00 0.19 H new ATOM 0 HA GLU A 69 1.003 11.378 -3.466 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.504 10.227 -1.100 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.268 11.798 -1.179 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.280 12.367 -3.096 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -2.120 10.861 -2.784 1.00 0.34 H new ATOM 314 N PHE A 70 1.735 8.592 -1.900 1.00 0.15 N ATOM 315 CA PHE A 70 2.783 7.756 -1.337 1.00 0.13 C ATOM 316 C PHE A 70 3.813 7.424 -2.400 1.00 0.13 C ATOM 317 O PHE A 70 5.015 7.569 -2.197 1.00 0.14 O ATOM 318 CB PHE A 70 2.149 6.465 -0.826 1.00 0.12 C ATOM 319 CG PHE A 70 3.046 5.634 0.039 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.210 5.102 -0.468 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.700 5.355 1.345 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.021 4.304 0.305 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.509 4.563 2.135 1.00 0.11 C ATOM 324 CZ PHE A 70 4.672 4.032 1.612 1.00 0.11 C ATOM 0 H PHE A 70 0.852 8.101 -2.040 1.00 0.15 H new ATOM 0 HA PHE A 70 3.277 8.286 -0.523 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.250 6.715 -0.262 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.833 5.867 -1.681 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.491 5.315 -1.489 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.786 5.761 1.754 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.929 3.891 -0.110 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.233 4.359 3.159 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.305 3.407 2.223 1.00 0.11 H new ATOM 334 N LEU A 71 3.319 6.981 -3.535 1.00 0.14 N ATOM 335 CA LEU A 71 4.152 6.471 -4.598 1.00 0.15 C ATOM 336 C LEU A 71 5.074 7.507 -5.173 1.00 0.16 C ATOM 337 O LEU A 71 6.246 7.239 -5.373 1.00 0.18 O ATOM 338 CB LEU A 71 3.267 5.912 -5.675 1.00 0.17 C ATOM 339 CG LEU A 71 2.600 4.628 -5.265 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.665 4.168 -6.345 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.663 3.596 -4.974 1.00 0.16 C ATOM 0 H LEU A 71 2.321 6.965 -3.746 1.00 0.14 H new ATOM 0 HA LEU A 71 4.791 5.695 -4.177 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.505 6.647 -5.932 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.859 5.739 -6.574 1.00 0.17 H new ATOM 0 HG LEU A 71 2.008 4.782 -4.363 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.186 3.238 -6.040 1.00 0.22 H new ATOM 0 HD12 LEU A 71 0.903 4.929 -6.515 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.225 4.003 -7.265 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.190 2.660 -4.676 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.263 3.430 -5.868 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.304 3.952 -4.168 1.00 0.16 H new ATOM 353 N GLU A 72 4.551 8.677 -5.452 1.00 0.16 N ATOM 354 CA GLU A 72 5.355 9.731 -6.036 1.00 0.19 C ATOM 355 C GLU A 72 6.464 10.131 -5.071 1.00 0.18 C ATOM 356 O GLU A 72 7.554 10.516 -5.483 1.00 0.21 O ATOM 357 CB GLU A 72 4.472 10.901 -6.427 1.00 0.24 C ATOM 358 CG GLU A 72 3.290 10.469 -7.277 1.00 0.29 C ATOM 359 CD GLU A 72 3.637 10.304 -8.736 1.00 0.73 C ATOM 360 OE1 GLU A 72 4.357 11.167 -9.268 1.00 1.21 O ATOM 361 OE2 GLU A 72 3.193 9.319 -9.358 1.00 1.17 O ATOM 0 H GLU A 72 3.576 8.926 -5.286 1.00 0.16 H new ATOM 0 HA GLU A 72 5.834 9.373 -6.947 1.00 0.19 H new ATOM 0 HB2 GLU A 72 4.108 11.396 -5.527 1.00 0.24 H new ATOM 0 HB3 GLU A 72 5.064 11.633 -6.976 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.900 9.526 -6.894 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.493 11.206 -7.181 1.00 0.29 H new ATOM 368 N LEU A 73 6.176 10.009 -3.780 1.00 0.16 N ATOM 369 CA LEU A 73 7.194 10.124 -2.754 1.00 0.16 C ATOM 370 C LEU A 73 8.181 8.967 -2.882 1.00 0.15 C ATOM 371 O LEU A 73 9.395 9.167 -2.859 1.00 0.18 O ATOM 372 CB LEU A 73 6.525 10.103 -1.382 1.00 0.16 C ATOM 373 CG LEU A 73 7.438 9.784 -0.204 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.830 11.050 0.537 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.741 8.801 0.718 1.00 0.16 C ATOM 0 H LEU A 73 5.238 9.829 -3.422 1.00 0.16 H new ATOM 0 HA LEU A 73 7.738 11.061 -2.872 1.00 0.16 H new ATOM 0 HB2 LEU A 73 6.065 11.076 -1.208 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.720 9.369 -1.403 1.00 0.16 H new ATOM 0 HG LEU A 73 8.357 9.330 -0.575 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.481 10.795 1.373 1.00 0.23 H new ATOM 0 HD12 LEU A 73 8.356 11.721 -0.142 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.934 11.544 0.913 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.391 8.570 1.562 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.813 9.241 1.084 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.517 7.885 0.171 1.00 0.16 H new ATOM 387 N CYS A 74 7.647 7.758 -3.051 1.00 0.13 N ATOM 388 CA CYS A 74 8.463 6.563 -3.192 1.00 0.13 C ATOM 389 C CYS A 74 9.378 6.671 -4.415 1.00 0.15 C ATOM 390 O CYS A 74 10.495 6.167 -4.401 1.00 0.18 O ATOM 391 CB CYS A 74 7.557 5.335 -3.299 1.00 0.16 C ATOM 392 SG CYS A 74 8.419 3.756 -3.181 1.00 0.50 S ATOM 0 H CYS A 74 6.643 7.585 -3.093 1.00 0.13 H new ATOM 0 HA CYS A 74 9.097 6.461 -2.312 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.806 5.384 -2.511 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.025 5.374 -4.249 1.00 0.16 H new ATOM 0 HG CYS A 74 9.481 3.785 -3.930 1.00 0.50 H new ATOM 398 N LYS A 75 8.904 7.351 -5.462 1.00 0.18 N ATOM 399 CA LYS A 75 9.710 7.594 -6.662 1.00 0.22 C ATOM 400 C LYS A 75 11.015 8.299 -6.318 1.00 0.22 C ATOM 401 O LYS A 75 12.030 8.117 -6.993 1.00 0.26 O ATOM 402 CB LYS A 75 8.955 8.451 -7.670 1.00 0.28 C ATOM 403 CG LYS A 75 8.118 7.666 -8.663 1.00 0.57 C ATOM 404 CD LYS A 75 6.694 7.462 -8.177 1.00 0.61 C ATOM 405 CE LYS A 75 5.703 7.503 -9.312 1.00 0.38 C ATOM 406 NZ LYS A 75 4.344 7.061 -8.907 1.00 0.96 N ATOM 0 H LYS A 75 7.964 7.744 -5.503 1.00 0.18 H new ATOM 0 HA LYS A 75 9.924 6.618 -7.097 1.00 0.22 H new ATOM 0 HB2 LYS A 75 8.304 9.138 -7.129 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.673 9.059 -8.220 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.103 8.191 -9.618 1.00 0.57 H new ATOM 0 HG3 LYS A 75 8.582 6.696 -8.840 1.00 0.57 H new ATOM 0 HD2 LYS A 75 6.619 6.503 -7.664 1.00 0.61 H new ATOM 0 HD3 LYS A 75 6.445 8.234 -7.449 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.648 8.519 -9.703 1.00 0.38 H new ATOM 0 HE3 LYS A 75 6.060 6.868 -10.123 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 3.632 7.678 -9.348 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 4.191 6.080 -9.217 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 4.255 7.115 -7.872 1.00 0.96 H new ATOM 420 N MET A 76 10.981 9.102 -5.263 1.00 0.22 N ATOM 421 CA MET A 76 12.128 9.902 -4.874 1.00 0.26 C ATOM 422 C MET A 76 12.978 9.116 -3.900 1.00 0.25 C ATOM 423 O MET A 76 14.206 9.142 -3.951 1.00 0.32 O ATOM 424 CB MET A 76 11.682 11.206 -4.198 1.00 0.29 C ATOM 425 CG MET A 76 10.422 11.820 -4.775 1.00 0.27 C ATOM 426 SD MET A 76 10.000 13.394 -4.001 1.00 0.32 S ATOM 427 CE MET A 76 9.769 12.892 -2.295 1.00 0.35 C ATOM 0 H MET A 76 10.166 9.215 -4.660 1.00 0.22 H new ATOM 0 HA MET A 76 12.698 10.145 -5.771 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.523 11.013 -3.137 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.491 11.933 -4.272 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.553 11.970 -5.847 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.593 11.124 -4.650 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.854 13.338 -1.905 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.694 11.806 -2.242 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.618 13.226 -1.699 1.00 0.35 H new ATOM 437 N GLN A 77 12.296 8.414 -3.019 1.00 0.21 N ATOM 438 CA GLN A 77 12.937 7.693 -1.939 1.00 0.22 C ATOM 439 C GLN A 77 13.602 6.423 -2.449 1.00 0.21 C ATOM 440 O GLN A 77 14.816 6.256 -2.341 1.00 0.24 O ATOM 441 CB GLN A 77 11.889 7.325 -0.897 1.00 0.23 C ATOM 442 CG GLN A 77 11.026 8.483 -0.425 1.00 0.30 C ATOM 443 CD GLN A 77 11.714 9.402 0.558 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.929 9.585 0.527 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.926 9.987 1.442 1.00 0.48 N ATOM 0 H GLN A 77 11.280 8.327 -3.032 1.00 0.21 H new ATOM 0 HA GLN A 77 13.703 8.332 -1.501 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.241 6.552 -1.311 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.392 6.890 -0.034 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.711 9.065 -1.291 1.00 0.30 H new ATOM 0 HG3 GLN A 77 10.123 8.085 0.037 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.922 9.805 1.430 1.00 0.48 H new ATOM 0 HE22 GLN A 77 11.321 10.621 2.137 1.00 0.48 H new ATOM 454 N THR A 78 12.802 5.540 -3.032 1.00 0.18 N ATOM 455 CA THR A 78 13.298 4.270 -3.521 1.00 0.20 C ATOM 456 C THR A 78 13.816 4.440 -4.939 1.00 0.22 C ATOM 457 O THR A 78 13.494 3.671 -5.838 1.00 0.24 O ATOM 458 CB THR A 78 12.196 3.188 -3.484 1.00 0.20 C ATOM 459 OG1 THR A 78 11.152 3.502 -4.417 1.00 0.56 O ATOM 460 CG2 THR A 78 11.602 3.083 -2.090 1.00 0.42 C ATOM 0 H THR A 78 11.803 5.685 -3.176 1.00 0.18 H new ATOM 0 HA THR A 78 14.110 3.943 -2.872 1.00 0.20 H new ATOM 0 HB THR A 78 12.650 2.235 -3.757 1.00 0.20 H new ATOM 0 HG1 THR A 78 11.062 4.475 -4.492 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.827 2.316 -2.081 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.385 2.816 -1.380 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.167 4.041 -1.807 1.00 0.42 H new ATOM 468 N ALA A 79 14.614 5.475 -5.128 1.00 0.25 N ATOM 469 CA ALA A 79 15.156 5.799 -6.430 1.00 0.30 C ATOM 470 C ALA A 79 16.222 4.788 -6.837 1.00 0.34 C ATOM 471 O ALA A 79 16.491 4.594 -8.018 1.00 0.42 O ATOM 472 CB ALA A 79 15.710 7.208 -6.406 1.00 0.32 C ATOM 0 H ALA A 79 14.902 6.111 -4.385 1.00 0.25 H new ATOM 0 HA ALA A 79 14.362 5.749 -7.175 1.00 0.30 H new ATOM 0 HB1 ALA A 79 16.119 7.455 -7.386 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.912 7.908 -6.159 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.498 7.276 -5.656 1.00 0.32 H new ATOM 478 N ASP A 80 16.819 4.140 -5.841 1.00 0.35 N ATOM 479 CA ASP A 80 17.783 3.065 -6.084 1.00 0.44 C ATOM 480 C ASP A 80 17.054 1.787 -6.488 1.00 0.38 C ATOM 481 O ASP A 80 17.624 0.897 -7.112 1.00 0.44 O ATOM 482 CB ASP A 80 18.640 2.823 -4.831 1.00 0.59 C ATOM 483 CG ASP A 80 19.602 1.651 -4.974 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.336 1.596 -5.983 1.00 1.68 O ATOM 485 OD2 ASP A 80 19.610 0.762 -4.098 1.00 2.29 O ATOM 0 H ASP A 80 16.653 4.339 -4.855 1.00 0.35 H new ATOM 0 HA ASP A 80 18.442 3.362 -6.900 1.00 0.44 H new ATOM 0 HB2 ASP A 80 19.209 3.726 -4.609 1.00 0.59 H new ATOM 0 HB3 ASP A 80 17.983 2.643 -3.980 1.00 0.59 H new ATOM 490 N HIS A 81 15.774 1.712 -6.146 1.00 0.35 N ATOM 491 CA HIS A 81 14.961 0.542 -6.471 1.00 0.39 C ATOM 492 C HIS A 81 13.571 0.955 -6.932 1.00 0.34 C ATOM 493 O HIS A 81 12.613 0.897 -6.158 1.00 0.30 O ATOM 494 CB HIS A 81 14.830 -0.407 -5.272 1.00 0.49 C ATOM 495 CG HIS A 81 16.044 -1.245 -5.017 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.236 -2.483 -5.589 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.129 -1.019 -4.242 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.388 -2.978 -5.178 1.00 2.11 C ATOM 499 NE2 HIS A 81 17.950 -2.110 -4.358 1.00 1.12 N ATOM 0 H HIS A 81 15.275 2.446 -5.644 1.00 0.35 H new ATOM 0 HA HIS A 81 15.472 0.019 -7.279 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.614 0.181 -4.380 1.00 0.49 H new ATOM 0 HB3 HIS A 81 13.976 -1.065 -5.435 1.00 0.49 H new ATOM 0 HD1 HIS A 81 15.590 -2.944 -6.229 1.00 2.02 H new ATOM 0 HD2 HIS A 81 17.314 -0.140 -3.642 1.00 0.60 H new ATOM 0 HE1 HIS A 81 17.802 -3.934 -5.465 1.00 2.11 H new ATOM 508 N PRO A 82 13.435 1.372 -8.201 1.00 0.39 N ATOM 509 CA PRO A 82 12.141 1.750 -8.784 1.00 0.39 C ATOM 510 C PRO A 82 11.204 0.553 -8.992 1.00 0.35 C ATOM 511 O PRO A 82 10.362 0.557 -9.886 1.00 0.39 O ATOM 512 CB PRO A 82 12.531 2.366 -10.126 1.00 0.50 C ATOM 513 CG PRO A 82 13.822 1.727 -10.472 1.00 0.53 C ATOM 514 CD PRO A 82 14.534 1.535 -9.170 1.00 0.48 C ATOM 0 HA PRO A 82 11.584 2.422 -8.130 1.00 0.39 H new ATOM 0 HB2 PRO A 82 11.775 2.169 -10.887 1.00 0.50 H new ATOM 0 HB3 PRO A 82 12.633 3.449 -10.050 1.00 0.50 H new ATOM 0 HG2 PRO A 82 13.665 0.774 -10.978 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.402 2.355 -11.148 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.183 0.660 -9.192 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.162 2.392 -8.925 1.00 0.48 H new ATOM 522 N GLU A 83 11.371 -0.470 -8.164 1.00 0.29 N ATOM 523 CA GLU A 83 10.512 -1.646 -8.184 1.00 0.26 C ATOM 524 C GLU A 83 9.319 -1.436 -7.259 1.00 0.19 C ATOM 525 O GLU A 83 8.213 -1.896 -7.529 1.00 0.22 O ATOM 526 CB GLU A 83 11.291 -2.869 -7.710 1.00 0.33 C ATOM 527 CG GLU A 83 12.598 -3.101 -8.448 1.00 0.49 C ATOM 528 CD GLU A 83 13.458 -4.141 -7.762 1.00 1.32 C ATOM 529 OE1 GLU A 83 13.146 -5.345 -7.878 1.00 1.72 O ATOM 530 OE2 GLU A 83 14.438 -3.754 -7.088 1.00 2.05 O ATOM 0 H GLU A 83 12.107 -0.507 -7.459 1.00 0.29 H new ATOM 0 HA GLU A 83 10.164 -1.803 -9.205 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.502 -2.761 -6.646 1.00 0.33 H new ATOM 0 HB3 GLU A 83 10.662 -3.752 -7.822 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.387 -3.421 -9.468 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.148 -2.162 -8.515 1.00 0.49 H new ATOM 537 N VAL A 84 9.575 -0.726 -6.162 1.00 0.15 N ATOM 538 CA VAL A 84 8.597 -0.513 -5.101 1.00 0.11 C ATOM 539 C VAL A 84 7.298 0.091 -5.620 1.00 0.11 C ATOM 540 O VAL A 84 6.217 -0.457 -5.417 1.00 0.13 O ATOM 541 CB VAL A 84 9.146 0.463 -4.056 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.229 0.487 -2.863 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.567 0.119 -3.653 1.00 0.14 C ATOM 0 H VAL A 84 10.475 -0.279 -5.985 1.00 0.15 H new ATOM 0 HA VAL A 84 8.402 -1.496 -4.674 1.00 0.11 H new ATOM 0 HB VAL A 84 9.182 1.459 -4.498 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.619 1.181 -2.118 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.235 0.809 -3.174 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.168 -0.512 -2.431 1.00 0.13 H new ATOM 0 HG21 VAL A 84 10.918 0.836 -2.911 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.592 -0.885 -3.229 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.214 0.159 -4.530 1.00 0.14 H new ATOM 553 N VAL A 85 7.430 1.235 -6.271 1.00 0.11 N ATOM 554 CA VAL A 85 6.287 1.986 -6.785 1.00 0.13 C ATOM 555 C VAL A 85 5.393 1.123 -7.693 1.00 0.15 C ATOM 556 O VAL A 85 4.201 0.982 -7.412 1.00 0.16 O ATOM 557 CB VAL A 85 6.757 3.249 -7.538 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.593 4.157 -7.864 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.790 3.997 -6.720 1.00 0.15 C ATOM 0 H VAL A 85 8.332 1.673 -6.460 1.00 0.11 H new ATOM 0 HA VAL A 85 5.689 2.290 -5.926 1.00 0.13 H new ATOM 0 HB VAL A 85 7.211 2.930 -8.476 1.00 0.15 H new ATOM 0 HG11 VAL A 85 5.956 5.038 -8.394 1.00 0.18 H new ATOM 0 HG12 VAL A 85 4.880 3.623 -8.493 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.103 4.466 -6.941 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.112 4.885 -7.264 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.353 4.294 -5.766 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.649 3.351 -6.540 1.00 0.15 H new ATOM 569 N PRO A 86 5.937 0.528 -8.782 1.00 0.17 N ATOM 570 CA PRO A 86 5.168 -0.382 -9.645 1.00 0.20 C ATOM 571 C PRO A 86 4.561 -1.546 -8.864 1.00 0.18 C ATOM 572 O PRO A 86 3.437 -1.967 -9.134 1.00 0.20 O ATOM 573 CB PRO A 86 6.201 -0.902 -10.649 1.00 0.23 C ATOM 574 CG PRO A 86 7.265 0.135 -10.672 1.00 0.22 C ATOM 575 CD PRO A 86 7.316 0.704 -9.281 1.00 0.17 C ATOM 0 HA PRO A 86 4.325 0.127 -10.111 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.598 -1.869 -10.342 1.00 0.23 H new ATOM 0 HB3 PRO A 86 5.759 -1.037 -11.636 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.226 -0.297 -10.953 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.039 0.911 -11.403 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.038 0.176 -8.658 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.609 1.754 -9.288 1.00 0.17 H new ATOM 583 N PHE A 87 5.314 -2.056 -7.893 1.00 0.16 N ATOM 584 CA PHE A 87 4.838 -3.134 -7.035 1.00 0.15 C ATOM 585 C PHE A 87 3.576 -2.694 -6.296 1.00 0.14 C ATOM 586 O PHE A 87 2.541 -3.363 -6.363 1.00 0.16 O ATOM 587 CB PHE A 87 5.937 -3.533 -6.038 1.00 0.17 C ATOM 588 CG PHE A 87 5.621 -4.725 -5.168 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.396 -5.370 -5.238 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.566 -5.197 -4.277 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.121 -6.456 -4.437 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.296 -6.283 -3.474 1.00 0.25 C ATOM 593 CZ PHE A 87 5.071 -6.913 -3.554 1.00 0.38 C ATOM 0 H PHE A 87 6.260 -1.738 -7.681 1.00 0.16 H new ATOM 0 HA PHE A 87 4.595 -4.001 -7.649 1.00 0.15 H new ATOM 0 HB2 PHE A 87 6.850 -3.743 -6.595 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.146 -2.679 -5.393 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.647 -5.016 -5.930 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.527 -4.709 -4.210 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.162 -6.948 -4.502 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.043 -6.642 -2.782 1.00 0.25 H new ATOM 0 HZ PHE A 87 4.859 -7.764 -2.924 1.00 0.38 H new ATOM 603 N LEU A 88 3.662 -1.562 -5.604 1.00 0.12 N ATOM 604 CA LEU A 88 2.528 -1.039 -4.859 1.00 0.13 C ATOM 605 C LEU A 88 1.328 -0.808 -5.768 1.00 0.14 C ATOM 606 O LEU A 88 0.193 -1.098 -5.387 1.00 0.16 O ATOM 607 CB LEU A 88 2.904 0.253 -4.139 1.00 0.13 C ATOM 608 CG LEU A 88 3.966 0.104 -3.058 1.00 0.12 C ATOM 609 CD1 LEU A 88 4.040 1.378 -2.231 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.654 -1.104 -2.185 1.00 0.20 C ATOM 0 H LEU A 88 4.506 -0.992 -5.545 1.00 0.12 H new ATOM 0 HA LEU A 88 2.250 -1.785 -4.115 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.258 0.973 -4.877 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.005 0.674 -3.688 1.00 0.13 H new ATOM 0 HG LEU A 88 4.939 -0.058 -3.522 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.801 1.267 -1.459 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.299 2.217 -2.877 1.00 0.16 H new ATOM 0 HD13 LEU A 88 3.073 1.565 -1.763 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.419 -1.203 -1.414 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.680 -0.971 -1.715 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.640 -2.004 -2.800 1.00 0.20 H new ATOM 622 N TYR A 89 1.585 -0.305 -6.972 1.00 0.16 N ATOM 623 CA TYR A 89 0.519 -0.132 -7.960 1.00 0.20 C ATOM 624 C TYR A 89 -0.164 -1.468 -8.223 1.00 0.21 C ATOM 625 O TYR A 89 -1.385 -1.593 -8.138 1.00 0.25 O ATOM 626 CB TYR A 89 1.051 0.386 -9.306 1.00 0.22 C ATOM 627 CG TYR A 89 1.262 1.881 -9.416 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.187 2.753 -9.555 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.540 2.417 -9.426 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.386 4.118 -9.691 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.746 3.773 -9.567 1.00 0.37 C ATOM 632 CZ TYR A 89 1.671 4.621 -9.696 1.00 0.43 C ATOM 633 OH TYR A 89 1.892 5.973 -9.839 1.00 0.54 O ATOM 0 H TYR A 89 2.510 -0.012 -7.287 1.00 0.16 H new ATOM 0 HA TYR A 89 -0.176 0.599 -7.546 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.000 -0.109 -9.512 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.356 0.081 -10.088 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.819 2.360 -9.557 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.391 1.760 -9.321 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.459 4.783 -9.792 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.751 4.169 -9.576 1.00 0.37 H new ATOM 0 HH TYR A 89 1.137 6.470 -9.461 1.00 0.54 H new ATOM 643 N ASN A 90 0.658 -2.471 -8.504 1.00 0.19 N ATOM 644 CA ASN A 90 0.190 -3.768 -8.961 1.00 0.23 C ATOM 645 C ASN A 90 -0.606 -4.490 -7.881 1.00 0.22 C ATOM 646 O ASN A 90 -1.693 -5.001 -8.139 1.00 0.27 O ATOM 647 CB ASN A 90 1.385 -4.608 -9.383 1.00 0.27 C ATOM 648 CG ASN A 90 0.992 -5.775 -10.258 1.00 0.48 C ATOM 649 OD1 ASN A 90 0.934 -5.661 -11.484 1.00 1.33 O ATOM 650 ND2 ASN A 90 0.722 -6.906 -9.641 1.00 0.67 N ATOM 0 H ASN A 90 1.672 -2.405 -8.420 1.00 0.19 H new ATOM 0 HA ASN A 90 -0.477 -3.616 -9.810 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.096 -3.979 -9.919 1.00 0.27 H new ATOM 0 HB3 ASN A 90 1.895 -4.980 -8.495 1.00 0.27 H new ATOM 0 HD21 ASN A 90 0.453 -7.729 -10.180 1.00 0.67 H new ATOM 0 HD22 ASN A 90 0.782 -6.959 -8.624 1.00 0.67 H new ATOM 657 N ARG A 91 -0.064 -4.524 -6.669 1.00 0.19 N ATOM 658 CA ARG A 91 -0.731 -5.179 -5.548 1.00 0.20 C ATOM 659 C ARG A 91 -2.084 -4.524 -5.273 1.00 0.20 C ATOM 660 O ARG A 91 -3.044 -5.202 -4.905 1.00 0.22 O ATOM 661 CB ARG A 91 0.165 -5.139 -4.302 1.00 0.22 C ATOM 662 CG ARG A 91 -0.510 -5.591 -3.008 1.00 0.26 C ATOM 663 CD ARG A 91 -0.970 -7.043 -3.042 1.00 0.36 C ATOM 664 NE ARG A 91 0.133 -7.976 -3.261 1.00 0.80 N ATOM 665 CZ ARG A 91 0.121 -8.953 -4.167 1.00 0.73 C ATOM 666 NH1 ARG A 91 -0.886 -9.052 -5.030 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.122 -9.819 -4.223 1.00 1.25 N ATOM 0 H ARG A 91 0.837 -4.105 -6.437 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.910 -6.223 -5.806 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.037 -5.769 -4.479 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.530 -4.121 -4.168 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.184 -5.457 -2.178 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.369 -4.950 -2.812 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.465 -7.286 -2.102 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.709 -7.168 -3.833 1.00 0.36 H new ATOM 0 HE ARG A 91 0.967 -7.873 -2.682 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -1.652 -8.379 -4.999 1.00 1.38 H new ATOM 0 HH12 ARG A 91 -0.892 -9.801 -5.722 1.00 1.38 H new ATOM 0 HH21 ARG A 91 1.903 -9.738 -3.572 1.00 1.25 H new ATOM 0 HH22 ARG A 91 1.112 -10.566 -4.917 1.00 1.25 H new ATOM 681 N GLN A 92 -2.161 -3.214 -5.485 1.00 0.19 N ATOM 682 CA GLN A 92 -3.397 -2.473 -5.267 1.00 0.21 C ATOM 683 C GLN A 92 -4.400 -2.795 -6.369 1.00 0.24 C ATOM 684 O GLN A 92 -5.605 -2.868 -6.128 1.00 0.26 O ATOM 685 CB GLN A 92 -3.106 -0.970 -5.200 1.00 0.23 C ATOM 686 CG GLN A 92 -4.218 -0.145 -4.567 1.00 0.34 C ATOM 687 CD GLN A 92 -5.245 0.341 -5.569 1.00 0.45 C ATOM 688 OE1 GLN A 92 -4.950 0.506 -6.748 1.00 0.71 O ATOM 689 NE2 GLN A 92 -6.446 0.611 -5.093 1.00 0.78 N ATOM 0 H GLN A 92 -1.380 -2.643 -5.808 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.834 -2.773 -4.315 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.187 -0.814 -4.635 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.925 -0.601 -6.210 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -4.718 -0.744 -3.806 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -3.780 0.714 -4.059 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -6.649 0.459 -4.105 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -7.171 0.972 -5.713 1.00 0.78 H new ATOM 698 N GLN A 93 -3.890 -2.999 -7.578 1.00 0.26 N ATOM 699 CA GLN A 93 -4.721 -3.413 -8.704 1.00 0.32 C ATOM 700 C GLN A 93 -5.251 -4.822 -8.471 1.00 0.34 C ATOM 701 O GLN A 93 -6.360 -5.159 -8.883 1.00 0.40 O ATOM 702 CB GLN A 93 -3.924 -3.401 -10.013 1.00 0.36 C ATOM 703 CG GLN A 93 -3.346 -2.057 -10.395 1.00 0.38 C ATOM 704 CD GLN A 93 -4.387 -0.978 -10.483 1.00 0.44 C ATOM 705 OE1 GLN A 93 -5.000 -0.758 -11.529 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.585 -0.296 -9.382 1.00 0.57 N ATOM 0 H GLN A 93 -2.902 -2.884 -7.805 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.548 -2.707 -8.782 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -3.109 -4.121 -9.932 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.573 -3.744 -10.819 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.593 -1.769 -9.662 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.839 -2.145 -11.356 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -4.051 -0.518 -8.542 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -5.273 0.457 -9.365 1.00 0.57 H new ATOM 715 N ARG A 94 -4.449 -5.638 -7.798 1.00 0.33 N ATOM 716 CA ARG A 94 -4.784 -7.041 -7.595 1.00 0.38 C ATOM 717 C ARG A 94 -5.721 -7.208 -6.417 1.00 0.32 C ATOM 718 O ARG A 94 -6.393 -8.234 -6.281 1.00 0.46 O ATOM 719 CB ARG A 94 -3.518 -7.878 -7.393 1.00 0.47 C ATOM 720 CG ARG A 94 -2.611 -7.875 -8.607 1.00 0.70 C ATOM 721 CD ARG A 94 -3.389 -8.231 -9.859 1.00 0.95 C ATOM 722 NE ARG A 94 -2.590 -8.115 -11.073 1.00 1.67 N ATOM 723 CZ ARG A 94 -2.985 -8.572 -12.259 1.00 2.40 C ATOM 724 NH1 ARG A 94 -4.142 -9.213 -12.373 1.00 2.73 N ATOM 725 NH2 ARG A 94 -2.220 -8.402 -13.327 1.00 3.24 N ATOM 0 H ARG A 94 -3.562 -5.352 -7.384 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.293 -7.397 -8.491 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.968 -7.495 -6.534 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.800 -8.904 -7.159 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -2.155 -6.892 -8.724 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -1.799 -8.588 -8.462 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -3.762 -9.251 -9.771 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -4.259 -7.579 -9.938 1.00 0.95 H new ATOM 0 HE ARG A 94 -1.680 -7.659 -11.010 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -4.729 -9.356 -11.551 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -4.444 -9.563 -13.282 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -1.325 -7.920 -13.242 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -2.526 -8.753 -14.234 1.00 3.24 H new ATOM 739 N ALA A 95 -5.766 -6.197 -5.567 1.00 0.28 N ATOM 740 CA ALA A 95 -6.640 -6.206 -4.423 1.00 0.25 C ATOM 741 C ALA A 95 -8.087 -6.002 -4.869 1.00 0.26 C ATOM 742 O ALA A 95 -8.363 -5.172 -5.736 1.00 0.36 O ATOM 743 CB ALA A 95 -6.193 -5.122 -3.455 1.00 0.25 C ATOM 0 H ALA A 95 -5.198 -5.354 -5.656 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.588 -7.169 -3.915 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.848 -5.119 -2.584 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -5.169 -5.317 -3.138 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -6.241 -4.151 -3.948 1.00 0.25 H new ATOM 749 N HIS A 96 -8.996 -6.802 -4.309 1.00 0.29 N ATOM 750 CA HIS A 96 -10.430 -6.682 -4.595 1.00 0.29 C ATOM 751 C HIS A 96 -10.893 -5.255 -4.333 1.00 0.27 C ATOM 752 O HIS A 96 -10.867 -4.797 -3.191 1.00 0.29 O ATOM 753 CB HIS A 96 -11.234 -7.652 -3.730 1.00 0.33 C ATOM 754 CG HIS A 96 -12.659 -7.789 -4.157 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.635 -6.952 -3.680 1.00 0.38 N ATOM 756 CD2 HIS A 96 -13.213 -8.675 -5.015 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.757 -7.342 -4.256 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.551 -8.384 -5.074 1.00 0.50 N ATOM 0 H HIS A 96 -8.764 -7.545 -3.650 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.596 -6.930 -5.643 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.758 -8.632 -3.759 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.204 -7.314 -2.694 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.700 -9.460 -5.550 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.719 -6.880 -4.089 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -15.255 -8.867 -5.633 1.00 0.50 H new ATOM 766 N SER A 97 -11.359 -4.594 -5.387 1.00 0.32 N ATOM 767 CA SER A 97 -11.507 -3.139 -5.420 1.00 0.37 C ATOM 768 C SER A 97 -12.529 -2.570 -4.423 1.00 0.33 C ATOM 769 O SER A 97 -12.759 -1.361 -4.410 1.00 0.39 O ATOM 770 CB SER A 97 -11.878 -2.710 -6.837 1.00 0.48 C ATOM 771 OG SER A 97 -10.944 -3.214 -7.781 1.00 1.46 O ATOM 0 H SER A 97 -11.648 -5.054 -6.250 1.00 0.32 H new ATOM 0 HA SER A 97 -10.545 -2.729 -5.113 1.00 0.37 H new ATOM 0 HB2 SER A 97 -12.877 -3.071 -7.080 1.00 0.48 H new ATOM 0 HB3 SER A 97 -11.909 -1.622 -6.895 1.00 0.48 H new ATOM 0 HG SER A 97 -11.203 -2.928 -8.682 1.00 1.46 H new ATOM 777 N LEU A 98 -13.126 -3.405 -3.584 1.00 0.29 N ATOM 778 CA LEU A 98 -14.092 -2.919 -2.614 1.00 0.32 C ATOM 779 C LEU A 98 -13.426 -2.144 -1.482 1.00 0.35 C ATOM 780 O LEU A 98 -13.758 -0.985 -1.246 1.00 0.43 O ATOM 781 CB LEU A 98 -14.917 -4.066 -2.045 1.00 0.35 C ATOM 782 CG LEU A 98 -16.128 -4.455 -2.884 1.00 0.40 C ATOM 783 CD1 LEU A 98 -16.948 -5.512 -2.165 1.00 0.70 C ATOM 784 CD2 LEU A 98 -16.973 -3.226 -3.191 1.00 0.67 C ATOM 0 H LEU A 98 -12.960 -4.411 -3.556 1.00 0.29 H new ATOM 0 HA LEU A 98 -14.754 -2.234 -3.144 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.273 -4.939 -1.934 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.257 -3.791 -1.046 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.783 -4.876 -3.829 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.810 -5.781 -2.775 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.333 -6.396 -1.995 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.290 -5.119 -1.208 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.835 -3.518 -3.791 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.315 -2.777 -2.258 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.375 -2.502 -3.744 1.00 0.67 H new ATOM 796 N PHE A 99 -12.484 -2.774 -0.784 1.00 0.32 N ATOM 797 CA PHE A 99 -11.845 -2.126 0.359 1.00 0.34 C ATOM 798 C PHE A 99 -10.960 -0.962 -0.091 1.00 0.34 C ATOM 799 O PHE A 99 -10.883 0.056 0.599 1.00 0.39 O ATOM 800 CB PHE A 99 -11.079 -3.146 1.221 1.00 0.36 C ATOM 801 CG PHE A 99 -9.629 -2.827 1.486 1.00 0.31 C ATOM 802 CD1 PHE A 99 -9.307 -1.781 2.315 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.595 -3.549 0.907 1.00 0.38 C ATOM 804 CE1 PHE A 99 -7.994 -1.449 2.572 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.278 -3.213 1.165 1.00 0.49 C ATOM 806 CZ PHE A 99 -6.942 -2.316 1.948 1.00 0.58 C ATOM 0 H PHE A 99 -12.150 -3.717 -0.985 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.626 -1.704 0.991 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.591 -3.241 2.179 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -11.134 -4.119 0.733 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -10.098 -1.207 2.775 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.820 -4.377 0.252 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -7.735 -0.604 3.193 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.501 -3.764 0.655 1.00 0.49 H new ATOM 0 HZ PHE A 99 -5.899 -2.159 2.180 1.00 0.58 H new ATOM 816 N LEU A 100 -10.303 -1.089 -1.249 1.00 0.31 N ATOM 817 CA LEU A 100 -9.571 0.041 -1.816 1.00 0.36 C ATOM 818 C LEU A 100 -10.495 1.240 -2.049 1.00 0.45 C ATOM 819 O LEU A 100 -10.037 2.373 -2.159 1.00 0.79 O ATOM 820 CB LEU A 100 -8.926 -0.331 -3.144 1.00 0.37 C ATOM 821 CG LEU A 100 -8.017 -1.562 -3.151 1.00 0.35 C ATOM 822 CD1 LEU A 100 -7.241 -1.727 -1.861 1.00 0.82 C ATOM 823 CD2 LEU A 100 -8.791 -2.812 -3.466 1.00 0.70 C ATOM 0 H LEU A 100 -10.264 -1.946 -1.800 1.00 0.31 H new ATOM 0 HA LEU A 100 -8.799 0.308 -1.094 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -9.720 -0.491 -3.874 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.343 0.523 -3.489 1.00 0.37 H new ATOM 0 HG LEU A 100 -7.287 -1.396 -3.943 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -6.614 -2.616 -1.925 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -6.613 -0.851 -1.700 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.937 -1.833 -1.029 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -8.116 -3.668 -3.463 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -9.567 -2.959 -2.714 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -9.252 -2.717 -4.449 1.00 0.70 H new ATOM 835 N ALA A 101 -11.790 0.981 -2.142 1.00 0.28 N ATOM 836 CA ALA A 101 -12.772 2.033 -2.367 1.00 0.33 C ATOM 837 C ALA A 101 -13.571 2.317 -1.100 1.00 0.36 C ATOM 838 O ALA A 101 -14.698 2.809 -1.156 1.00 0.57 O ATOM 839 CB ALA A 101 -13.699 1.636 -3.502 1.00 0.36 C ATOM 0 H ALA A 101 -12.188 0.045 -2.065 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.244 2.947 -2.640 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.432 2.426 -3.667 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.117 1.486 -4.411 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.215 0.711 -3.244 1.00 0.36 H new ATOM 845 N SER A 102 -12.959 2.043 0.036 1.00 0.34 N ATOM 846 CA SER A 102 -13.625 2.130 1.318 1.00 0.36 C ATOM 847 C SER A 102 -12.832 3.026 2.260 1.00 0.36 C ATOM 848 O SER A 102 -11.667 3.348 2.001 1.00 0.46 O ATOM 849 CB SER A 102 -13.771 0.724 1.911 1.00 0.40 C ATOM 850 OG SER A 102 -14.394 0.748 3.182 1.00 1.39 O ATOM 0 H SER A 102 -11.983 1.753 0.094 1.00 0.34 H new ATOM 0 HA SER A 102 -14.615 2.565 1.184 1.00 0.36 H new ATOM 0 HB2 SER A 102 -14.355 0.103 1.232 1.00 0.40 H new ATOM 0 HB3 SER A 102 -12.787 0.263 1.998 1.00 0.40 H new ATOM 0 HG SER A 102 -14.471 -0.166 3.526 1.00 1.39 H new ATOM 856 N ALA A 103 -13.471 3.420 3.351 1.00 0.35 N ATOM 857 CA ALA A 103 -12.853 4.289 4.339 1.00 0.36 C ATOM 858 C ALA A 103 -11.740 3.565 5.064 1.00 0.29 C ATOM 859 O ALA A 103 -10.830 4.186 5.614 1.00 0.30 O ATOM 860 CB ALA A 103 -13.887 4.763 5.333 1.00 0.44 C ATOM 0 H ALA A 103 -14.428 3.148 3.575 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.431 5.151 3.822 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.413 5.413 6.069 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.668 5.315 4.810 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.327 3.903 5.839 1.00 0.44 H new ATOM 866 N GLU A 104 -11.825 2.245 5.064 1.00 0.29 N ATOM 867 CA GLU A 104 -10.820 1.418 5.694 1.00 0.30 C ATOM 868 C GLU A 104 -9.450 1.712 5.096 1.00 0.26 C ATOM 869 O GLU A 104 -8.489 1.979 5.819 1.00 0.30 O ATOM 870 CB GLU A 104 -11.181 -0.058 5.525 1.00 0.39 C ATOM 871 CG GLU A 104 -10.138 -1.017 6.067 1.00 0.49 C ATOM 872 CD GLU A 104 -10.663 -2.431 6.188 1.00 1.02 C ATOM 873 OE1 GLU A 104 -11.332 -2.732 7.196 1.00 1.15 O ATOM 874 OE2 GLU A 104 -10.427 -3.247 5.276 1.00 1.81 O ATOM 0 H GLU A 104 -12.587 1.724 4.630 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.784 1.646 6.759 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -12.130 -0.249 6.027 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.333 -0.265 4.466 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -9.267 -1.010 5.412 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.804 -0.671 7.045 1.00 0.49 H new ATOM 881 N PHE A 105 -9.389 1.717 3.773 1.00 0.22 N ATOM 882 CA PHE A 105 -8.149 1.974 3.056 1.00 0.20 C ATOM 883 C PHE A 105 -7.713 3.421 3.250 1.00 0.19 C ATOM 884 O PHE A 105 -6.522 3.726 3.223 1.00 0.16 O ATOM 885 CB PHE A 105 -8.338 1.667 1.571 1.00 0.21 C ATOM 886 CG PHE A 105 -7.050 1.481 0.825 1.00 0.18 C ATOM 887 CD1 PHE A 105 -5.964 0.894 1.448 1.00 0.18 C ATOM 888 CD2 PHE A 105 -6.926 1.878 -0.495 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.778 0.705 0.776 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.739 1.693 -1.177 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.665 1.107 -0.539 1.00 0.16 C ATOM 0 H PHE A 105 -10.193 1.544 3.169 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.368 1.326 3.454 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.940 0.764 1.470 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -8.901 2.479 1.110 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.048 0.579 2.478 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.765 2.337 -0.997 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.939 0.244 1.276 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.652 2.006 -2.207 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.735 0.963 -1.069 1.00 0.16 H new ATOM 901 N CYS A 106 -8.684 4.304 3.465 1.00 0.27 N ATOM 902 CA CYS A 106 -8.394 5.711 3.704 1.00 0.27 C ATOM 903 C CYS A 106 -7.560 5.867 4.975 1.00 0.27 C ATOM 904 O CYS A 106 -6.631 6.673 5.017 1.00 0.28 O ATOM 905 CB CYS A 106 -9.685 6.528 3.810 1.00 0.29 C ATOM 906 SG CYS A 106 -9.412 8.304 4.011 1.00 0.59 S ATOM 0 H CYS A 106 -9.676 4.069 3.478 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.823 6.091 2.857 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.284 6.361 2.915 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.267 6.162 4.656 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.558 8.913 4.090 1.00 0.59 H new ATOM 912 N ASN A 107 -7.899 5.093 6.007 1.00 0.28 N ATOM 913 CA ASN A 107 -7.086 5.034 7.223 1.00 0.30 C ATOM 914 C ASN A 107 -5.679 4.614 6.870 1.00 0.24 C ATOM 915 O ASN A 107 -4.728 5.344 7.111 1.00 0.23 O ATOM 916 CB ASN A 107 -7.656 4.031 8.229 1.00 0.37 C ATOM 917 CG ASN A 107 -8.907 4.522 8.936 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.831 5.167 9.982 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.068 4.204 8.383 1.00 0.64 N ATOM 0 H ASN A 107 -8.729 4.500 6.026 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.090 6.026 7.675 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -7.884 3.099 7.711 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -6.894 3.803 8.974 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.940 4.495 8.825 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.090 3.668 7.515 1.00 0.64 H new ATOM 926 N ILE A 108 -5.577 3.453 6.244 1.00 0.21 N ATOM 927 CA ILE A 108 -4.295 2.872 5.888 1.00 0.17 C ATOM 928 C ILE A 108 -3.424 3.862 5.123 1.00 0.12 C ATOM 929 O ILE A 108 -2.307 4.166 5.534 1.00 0.12 O ATOM 930 CB ILE A 108 -4.507 1.602 5.040 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.719 0.386 5.933 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.372 1.366 4.065 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.157 -0.056 5.983 1.00 0.39 C ATOM 0 H ILE A 108 -6.380 2.888 5.969 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.780 2.613 6.813 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.408 1.759 4.447 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.103 -0.437 5.571 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -4.380 0.618 6.942 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.568 0.460 3.491 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.293 2.215 3.386 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.438 1.252 4.615 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.248 -0.926 6.634 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.773 0.754 6.372 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.492 -0.317 4.979 1.00 0.39 H new ATOM 945 N LEU A 109 -3.964 4.387 4.038 1.00 0.12 N ATOM 946 CA LEU A 109 -3.224 5.276 3.163 1.00 0.12 C ATOM 947 C LEU A 109 -2.803 6.560 3.845 1.00 0.13 C ATOM 948 O LEU A 109 -1.622 6.896 3.857 1.00 0.13 O ATOM 949 CB LEU A 109 -4.057 5.594 1.940 1.00 0.15 C ATOM 950 CG LEU A 109 -3.927 4.569 0.837 1.00 0.16 C ATOM 951 CD1 LEU A 109 -5.018 4.754 -0.183 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.573 4.709 0.185 1.00 0.17 C ATOM 0 H LEU A 109 -4.923 4.210 3.740 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.310 4.756 2.876 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -5.104 5.669 2.233 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.763 6.570 1.554 1.00 0.15 H new ATOM 0 HG LEU A 109 -4.023 3.570 1.262 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.910 4.008 -0.971 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.989 4.636 0.298 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.946 5.752 -0.616 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.475 3.971 -0.611 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.472 5.710 -0.233 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.793 4.546 0.928 1.00 0.17 H new ATOM 964 N SER A 110 -3.756 7.268 4.426 1.00 0.16 N ATOM 965 CA SER A 110 -3.462 8.544 5.059 1.00 0.20 C ATOM 966 C SER A 110 -2.444 8.354 6.176 1.00 0.19 C ATOM 967 O SER A 110 -1.596 9.211 6.421 1.00 0.22 O ATOM 968 CB SER A 110 -4.741 9.172 5.609 1.00 0.28 C ATOM 969 OG SER A 110 -5.326 8.363 6.615 1.00 1.18 O ATOM 0 H SER A 110 -4.735 6.984 4.473 1.00 0.16 H new ATOM 0 HA SER A 110 -3.040 9.215 4.311 1.00 0.20 H new ATOM 0 HB2 SER A 110 -4.517 10.157 6.018 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.454 9.318 4.798 1.00 0.28 H new ATOM 0 HG SER A 110 -5.852 7.650 6.196 1.00 1.18 H new ATOM 975 N ARG A 111 -2.532 7.206 6.830 1.00 0.18 N ATOM 976 CA ARG A 111 -1.658 6.885 7.940 1.00 0.19 C ATOM 977 C ARG A 111 -0.247 6.532 7.453 1.00 0.16 C ATOM 978 O ARG A 111 0.712 7.220 7.798 1.00 0.17 O ATOM 979 CB ARG A 111 -2.255 5.729 8.757 1.00 0.25 C ATOM 980 CG ARG A 111 -3.430 6.100 9.677 1.00 0.33 C ATOM 981 CD ARG A 111 -4.034 7.467 9.383 1.00 1.22 C ATOM 982 NE ARG A 111 -3.250 8.566 9.945 1.00 1.97 N ATOM 983 CZ ARG A 111 -3.519 9.850 9.723 1.00 2.79 C ATOM 984 NH1 ARG A 111 -4.498 10.190 8.889 1.00 3.10 N ATOM 985 NH2 ARG A 111 -2.805 10.794 10.326 1.00 3.73 N ATOM 0 H ARG A 111 -3.208 6.476 6.605 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.575 7.765 8.578 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.589 4.955 8.066 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.464 5.293 9.367 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -4.207 5.342 9.582 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -3.089 6.079 10.712 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -4.115 7.599 8.304 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -5.046 7.506 9.785 1.00 1.22 H new ATOM 0 HE ARG A 111 -2.454 8.336 10.539 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -5.042 9.466 8.420 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -4.704 11.174 8.719 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -2.049 10.535 10.960 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -3.012 11.778 10.155 1.00 3.73 H new ATOM 999 N VAL A 112 -0.117 5.500 6.613 1.00 0.15 N ATOM 1000 CA VAL A 112 1.208 5.018 6.209 1.00 0.14 C ATOM 1001 C VAL A 112 1.924 6.013 5.304 1.00 0.14 C ATOM 1002 O VAL A 112 3.129 6.220 5.443 1.00 0.15 O ATOM 1003 CB VAL A 112 1.180 3.637 5.512 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.623 2.571 6.438 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.399 3.696 4.215 1.00 0.15 C ATOM 0 H VAL A 112 -0.900 4.989 6.205 1.00 0.15 H new ATOM 0 HA VAL A 112 1.757 4.910 7.144 1.00 0.14 H new ATOM 0 HB VAL A 112 2.207 3.365 5.269 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.614 1.610 5.923 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.248 2.500 7.328 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.394 2.836 6.728 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.396 2.712 3.747 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.626 4.003 4.421 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.865 4.416 3.542 1.00 0.15 H new ATOM 1015 N LEU A 113 1.191 6.635 4.384 1.00 0.15 N ATOM 1016 CA LEU A 113 1.777 7.591 3.477 1.00 0.16 C ATOM 1017 C LEU A 113 2.357 8.772 4.251 1.00 0.17 C ATOM 1018 O LEU A 113 3.491 9.190 4.007 1.00 0.20 O ATOM 1019 CB LEU A 113 0.716 8.035 2.468 1.00 0.16 C ATOM 1020 CG LEU A 113 0.688 9.518 2.144 1.00 0.20 C ATOM 1021 CD1 LEU A 113 1.885 9.906 1.294 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.613 9.875 1.450 1.00 0.27 C ATOM 0 H LEU A 113 0.190 6.487 4.255 1.00 0.15 H new ATOM 0 HA LEU A 113 2.601 7.132 2.931 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.871 7.483 1.541 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.264 7.748 2.850 1.00 0.16 H new ATOM 0 HG LEU A 113 0.747 10.081 3.075 1.00 0.20 H new ATOM 0 HD11 LEU A 113 1.844 10.973 1.074 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.804 9.682 1.836 1.00 0.20 H new ATOM 0 HD13 LEU A 113 1.867 9.342 0.361 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.623 10.941 1.222 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.700 9.305 0.525 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.452 9.636 2.104 1.00 0.27 H new ATOM 1034 N SER A 114 1.592 9.285 5.205 1.00 0.17 N ATOM 1035 CA SER A 114 2.036 10.414 6.004 1.00 0.21 C ATOM 1036 C SER A 114 3.229 10.010 6.866 1.00 0.18 C ATOM 1037 O SER A 114 4.168 10.789 7.045 1.00 0.20 O ATOM 1038 CB SER A 114 0.887 10.938 6.866 1.00 0.26 C ATOM 1039 OG SER A 114 1.231 12.160 7.497 1.00 1.06 O ATOM 0 H SER A 114 0.663 8.937 5.443 1.00 0.17 H new ATOM 0 HA SER A 114 2.353 11.218 5.339 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.002 11.083 6.247 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.629 10.196 7.622 1.00 0.26 H new ATOM 0 HG SER A 114 0.477 12.471 8.040 1.00 1.06 H new ATOM 1045 N ARG A 115 3.199 8.780 7.379 1.00 0.15 N ATOM 1046 CA ARG A 115 4.314 8.239 8.138 1.00 0.16 C ATOM 1047 C ARG A 115 5.585 8.211 7.296 1.00 0.15 C ATOM 1048 O ARG A 115 6.654 8.565 7.773 1.00 0.18 O ATOM 1049 CB ARG A 115 3.998 6.831 8.626 1.00 0.20 C ATOM 1050 CG ARG A 115 2.927 6.791 9.694 1.00 0.31 C ATOM 1051 CD ARG A 115 3.370 7.496 10.959 1.00 0.53 C ATOM 1052 NE ARG A 115 2.406 7.318 12.040 1.00 0.89 N ATOM 1053 CZ ARG A 115 2.045 8.281 12.889 1.00 1.21 C ATOM 1054 NH1 ARG A 115 2.604 9.484 12.822 1.00 1.63 N ATOM 1055 NH2 ARG A 115 1.127 8.034 13.814 1.00 1.62 N ATOM 0 H ARG A 115 2.410 8.142 7.279 1.00 0.15 H new ATOM 0 HA ARG A 115 4.475 8.889 8.998 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.679 6.224 7.779 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.908 6.377 9.018 1.00 0.20 H new ATOM 0 HG2 ARG A 115 2.018 7.259 9.316 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.680 5.754 9.923 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.341 7.111 11.270 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.499 8.559 10.757 1.00 0.53 H new ATOM 0 HE ARG A 115 1.981 6.398 12.154 1.00 0.89 H new ATOM 0 HH11 ARG A 115 3.315 9.677 12.117 1.00 1.63 H new ATOM 0 HH12 ARG A 115 2.322 10.215 13.475 1.00 1.63 H new ATOM 0 HH21 ARG A 115 0.700 7.110 13.874 1.00 1.62 H new ATOM 0 HH22 ARG A 115 0.849 8.768 14.465 1.00 1.62 H new ATOM 1069 N ALA A 116 5.458 7.795 6.041 1.00 0.15 N ATOM 1070 CA ALA A 116 6.612 7.676 5.152 1.00 0.18 C ATOM 1071 C ALA A 116 7.141 9.043 4.727 1.00 0.21 C ATOM 1072 O ALA A 116 8.336 9.208 4.486 1.00 0.25 O ATOM 1073 CB ALA A 116 6.261 6.837 3.939 1.00 0.20 C ATOM 0 H ALA A 116 4.569 7.534 5.615 1.00 0.15 H new ATOM 0 HA ALA A 116 7.407 7.177 5.706 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.131 6.758 3.287 1.00 0.20 H new ATOM 0 HB2 ALA A 116 5.957 5.841 4.261 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.442 7.308 3.396 1.00 0.20 H new ATOM 1079 N ARG A 117 6.245 10.015 4.618 1.00 0.23 N ATOM 1080 CA ARG A 117 6.642 11.395 4.352 1.00 0.28 C ATOM 1081 C ARG A 117 7.445 11.945 5.531 1.00 0.29 C ATOM 1082 O ARG A 117 8.410 12.690 5.358 1.00 0.39 O ATOM 1083 CB ARG A 117 5.408 12.270 4.117 1.00 0.38 C ATOM 1084 CG ARG A 117 4.623 11.914 2.869 1.00 1.06 C ATOM 1085 CD ARG A 117 4.960 12.848 1.721 1.00 1.15 C ATOM 1086 NE ARG A 117 4.464 14.206 1.953 1.00 1.75 N ATOM 1087 CZ ARG A 117 4.225 15.093 0.984 1.00 2.25 C ATOM 1088 NH1 ARG A 117 4.448 14.782 -0.284 1.00 2.33 N ATOM 1089 NH2 ARG A 117 3.769 16.299 1.285 1.00 2.99 N ATOM 0 H ARG A 117 5.239 9.876 4.709 1.00 0.23 H new ATOM 0 HA ARG A 117 7.262 11.410 3.455 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.750 12.190 4.982 1.00 0.38 H new ATOM 0 HB3 ARG A 117 5.722 13.312 4.050 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.841 10.886 2.580 1.00 1.06 H new ATOM 0 HG3 ARG A 117 3.555 11.966 3.081 1.00 1.06 H new ATOM 0 HD2 ARG A 117 6.041 12.876 1.582 1.00 1.15 H new ATOM 0 HD3 ARG A 117 4.530 12.458 0.798 1.00 1.15 H new ATOM 0 HE ARG A 117 4.290 14.493 2.916 1.00 1.75 H new ATOM 0 HH11 ARG A 117 4.805 13.858 -0.527 1.00 2.33 H new ATOM 0 HH12 ARG A 117 4.262 15.466 -1.017 1.00 2.33 H new ATOM 0 HH21 ARG A 117 3.600 16.552 2.259 1.00 2.99 H new ATOM 0 HH22 ARG A 117 3.587 16.975 0.543 1.00 2.99 H new ATOM 1103 N SER A 118 7.028 11.557 6.726 1.00 0.28 N ATOM 1104 CA SER A 118 7.670 11.976 7.966 1.00 0.33 C ATOM 1105 C SER A 118 8.971 11.218 8.183 1.00 0.32 C ATOM 1106 O SER A 118 10.033 11.796 8.417 1.00 0.41 O ATOM 1107 CB SER A 118 6.716 11.693 9.126 1.00 0.38 C ATOM 1108 OG SER A 118 7.189 12.220 10.355 1.00 0.62 O ATOM 0 H SER A 118 6.229 10.938 6.866 1.00 0.28 H new ATOM 0 HA SER A 118 7.899 13.040 7.910 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.739 12.121 8.902 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.577 10.616 9.225 1.00 0.38 H new ATOM 0 HG SER A 118 6.547 12.017 11.067 1.00 0.62 H new ATOM 1114 N ARG A 119 8.853 9.914 8.102 1.00 0.26 N ATOM 1115 CA ARG A 119 9.961 8.999 8.318 1.00 0.28 C ATOM 1116 C ARG A 119 10.290 8.225 7.046 1.00 0.26 C ATOM 1117 O ARG A 119 9.881 7.073 6.885 1.00 0.25 O ATOM 1118 CB ARG A 119 9.620 8.015 9.442 1.00 0.33 C ATOM 1119 CG ARG A 119 9.554 8.638 10.824 1.00 0.47 C ATOM 1120 CD ARG A 119 10.944 8.951 11.346 1.00 1.28 C ATOM 1121 NE ARG A 119 10.921 9.468 12.711 1.00 1.54 N ATOM 1122 CZ ARG A 119 11.236 8.747 13.787 1.00 2.39 C ATOM 1123 NH1 ARG A 119 11.604 7.477 13.659 1.00 3.26 N ATOM 1124 NH2 ARG A 119 11.196 9.303 14.990 1.00 2.60 N ATOM 0 H ARG A 119 7.974 9.447 7.881 1.00 0.26 H new ATOM 0 HA ARG A 119 10.833 9.589 8.601 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.660 7.549 9.221 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.366 7.220 9.451 1.00 0.33 H new ATOM 0 HG2 ARG A 119 8.961 9.552 10.787 1.00 0.47 H new ATOM 0 HG3 ARG A 119 9.049 7.958 11.510 1.00 0.47 H new ATOM 0 HD2 ARG A 119 11.554 8.048 11.312 1.00 1.28 H new ATOM 0 HD3 ARG A 119 11.419 9.681 10.691 1.00 1.28 H new ATOM 0 HE ARG A 119 10.647 10.441 12.850 1.00 1.54 H new ATOM 0 HH11 ARG A 119 11.647 7.049 12.734 1.00 3.26 H new ATOM 0 HH12 ARG A 119 11.844 6.930 14.486 1.00 3.26 H new ATOM 0 HH21 ARG A 119 10.924 10.281 15.091 1.00 2.60 H new ATOM 0 HH22 ARG A 119 11.437 8.753 15.814 1.00 2.60 H new ATOM 1138 N PRO A 120 11.050 8.843 6.130 1.00 0.29 N ATOM 1139 CA PRO A 120 11.533 8.190 4.907 1.00 0.30 C ATOM 1140 C PRO A 120 12.353 6.953 5.237 1.00 0.27 C ATOM 1141 O PRO A 120 12.441 6.007 4.455 1.00 0.28 O ATOM 1142 CB PRO A 120 12.433 9.252 4.268 1.00 0.37 C ATOM 1143 CG PRO A 120 12.740 10.205 5.368 1.00 0.38 C ATOM 1144 CD PRO A 120 11.509 10.230 6.209 1.00 0.35 C ATOM 0 HA PRO A 120 10.719 7.859 4.262 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.343 8.808 3.864 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.929 9.752 3.441 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.605 9.878 5.944 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.973 11.196 4.979 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.723 10.530 7.235 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.766 10.927 5.822 1.00 0.35 H new ATOM 1152 N ALA A 121 12.936 6.984 6.426 1.00 0.25 N ATOM 1153 CA ALA A 121 13.770 5.911 6.930 1.00 0.28 C ATOM 1154 C ALA A 121 13.016 4.586 7.016 1.00 0.27 C ATOM 1155 O ALA A 121 13.599 3.516 6.844 1.00 0.35 O ATOM 1156 CB ALA A 121 14.302 6.303 8.295 1.00 0.33 C ATOM 0 H ALA A 121 12.840 7.766 7.074 1.00 0.25 H new ATOM 0 HA ALA A 121 14.594 5.761 6.232 1.00 0.28 H new ATOM 0 HB1 ALA A 121 14.931 5.502 8.684 1.00 0.33 H new ATOM 0 HB2 ALA A 121 14.890 7.217 8.208 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.468 6.472 8.976 1.00 0.33 H new ATOM 1162 N LYS A 122 11.721 4.656 7.287 1.00 0.22 N ATOM 1163 CA LYS A 122 10.909 3.460 7.418 1.00 0.27 C ATOM 1164 C LYS A 122 9.812 3.436 6.370 1.00 0.19 C ATOM 1165 O LYS A 122 8.834 2.700 6.503 1.00 0.18 O ATOM 1166 CB LYS A 122 10.317 3.379 8.820 1.00 0.39 C ATOM 1167 CG LYS A 122 11.352 3.091 9.892 1.00 0.49 C ATOM 1168 CD LYS A 122 11.357 1.624 10.285 1.00 0.66 C ATOM 1169 CE LYS A 122 11.660 1.443 11.768 1.00 1.28 C ATOM 1170 NZ LYS A 122 12.955 2.058 12.165 1.00 1.79 N ATOM 0 H LYS A 122 11.212 5.530 7.420 1.00 0.22 H new ATOM 0 HA LYS A 122 11.545 2.590 7.258 1.00 0.27 H new ATOM 0 HB2 LYS A 122 9.817 4.320 9.051 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.555 2.599 8.841 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.340 3.375 9.530 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.147 3.703 10.770 1.00 0.49 H new ATOM 0 HD2 LYS A 122 10.388 1.181 10.054 1.00 0.66 H new ATOM 0 HD3 LYS A 122 12.101 1.090 9.693 1.00 0.66 H new ATOM 0 HE2 LYS A 122 10.856 1.886 12.356 1.00 1.28 H new ATOM 0 HE3 LYS A 122 11.679 0.379 12.004 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 13.122 1.892 13.178 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 13.726 1.631 11.613 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 12.924 3.081 11.982 1.00 1.79 H new ATOM 1184 N LEU A 123 9.994 4.239 5.323 1.00 0.17 N ATOM 1185 CA LEU A 123 9.100 4.256 4.179 1.00 0.14 C ATOM 1186 C LEU A 123 8.773 2.845 3.712 1.00 0.12 C ATOM 1187 O LEU A 123 7.627 2.538 3.394 1.00 0.12 O ATOM 1188 CB LEU A 123 9.765 5.026 3.048 1.00 0.16 C ATOM 1189 CG LEU A 123 9.208 4.753 1.663 1.00 0.14 C ATOM 1190 CD1 LEU A 123 7.986 5.607 1.387 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.283 4.988 0.635 1.00 0.21 C ATOM 0 H LEU A 123 10.770 4.897 5.249 1.00 0.17 H new ATOM 0 HA LEU A 123 8.167 4.738 4.471 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.675 6.092 3.254 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.829 4.791 3.047 1.00 0.16 H new ATOM 0 HG LEU A 123 8.890 3.712 1.607 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.609 5.390 0.388 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.213 5.385 2.123 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.256 6.661 1.452 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.884 4.792 -0.360 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.622 6.022 0.693 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.122 4.320 0.827 1.00 0.21 H new ATOM 1203 N TYR A 124 9.783 1.981 3.705 1.00 0.13 N ATOM 1204 CA TYR A 124 9.607 0.621 3.226 1.00 0.13 C ATOM 1205 C TYR A 124 8.629 -0.137 4.094 1.00 0.13 C ATOM 1206 O TYR A 124 7.797 -0.852 3.578 1.00 0.14 O ATOM 1207 CB TYR A 124 10.936 -0.119 3.161 1.00 0.14 C ATOM 1208 CG TYR A 124 11.813 0.305 2.017 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.728 1.342 2.145 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.728 -0.349 0.804 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.533 1.711 1.084 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.523 0.007 -0.250 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.426 1.037 -0.115 1.00 0.24 C ATOM 1214 OH TYR A 124 14.223 1.395 -1.178 1.00 0.31 O ATOM 0 H TYR A 124 10.727 2.200 4.025 1.00 0.13 H new ATOM 0 HA TYR A 124 9.200 0.681 2.216 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.474 0.038 4.096 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.742 -1.188 3.080 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.811 1.867 3.085 1.00 0.22 H new ATOM 0 HD2 TYR A 124 11.021 -1.156 0.686 1.00 0.14 H new ATOM 0 HE1 TYR A 124 14.240 2.520 1.193 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.442 -0.520 -1.189 1.00 0.19 H new ATOM 0 HH TYR A 124 14.022 0.820 -1.946 1.00 0.31 H new ATOM 1224 N VAL A 125 8.718 0.024 5.406 1.00 0.13 N ATOM 1225 CA VAL A 125 7.747 -0.600 6.303 1.00 0.14 C ATOM 1226 C VAL A 125 6.324 -0.217 5.914 1.00 0.12 C ATOM 1227 O VAL A 125 5.432 -1.056 5.893 1.00 0.14 O ATOM 1228 CB VAL A 125 7.996 -0.217 7.773 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.899 -0.773 8.675 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.361 -0.720 8.205 1.00 0.23 C ATOM 0 H VAL A 125 9.441 0.573 5.872 1.00 0.13 H new ATOM 0 HA VAL A 125 7.872 -1.678 6.203 1.00 0.14 H new ATOM 0 HB VAL A 125 7.975 0.869 7.864 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.098 -0.488 9.708 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.935 -0.369 8.367 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.879 -1.860 8.596 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.536 -0.448 9.246 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.399 -1.804 8.102 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.130 -0.269 7.578 1.00 0.23 H new ATOM 1240 N TYR A 126 6.132 1.043 5.567 1.00 0.11 N ATOM 1241 CA TYR A 126 4.819 1.535 5.184 1.00 0.11 C ATOM 1242 C TYR A 126 4.456 1.030 3.790 1.00 0.10 C ATOM 1243 O TYR A 126 3.290 0.779 3.492 1.00 0.11 O ATOM 1244 CB TYR A 126 4.812 3.060 5.267 1.00 0.12 C ATOM 1245 CG TYR A 126 5.379 3.548 6.583 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.958 2.984 7.781 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.352 4.537 6.629 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.487 3.392 8.988 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.890 4.949 7.834 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.453 4.375 9.009 1.00 0.20 C ATOM 1251 OH TYR A 126 6.989 4.780 10.211 1.00 0.25 O ATOM 0 H TYR A 126 6.870 1.746 5.542 1.00 0.11 H new ATOM 0 HA TYR A 126 4.059 1.157 5.868 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.395 3.473 4.443 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.792 3.427 5.151 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.203 2.212 7.767 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.694 4.991 5.710 1.00 0.17 H new ATOM 0 HE1 TYR A 126 5.147 2.944 9.910 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.649 5.717 7.855 1.00 0.20 H new ATOM 0 HH TYR A 126 7.657 5.479 10.052 1.00 0.25 H new ATOM 1261 N ILE A 127 5.475 0.874 2.952 1.00 0.11 N ATOM 1262 CA ILE A 127 5.341 0.180 1.671 1.00 0.11 C ATOM 1263 C ILE A 127 4.875 -1.254 1.907 1.00 0.11 C ATOM 1264 O ILE A 127 3.904 -1.723 1.310 1.00 0.11 O ATOM 1265 CB ILE A 127 6.697 0.160 0.921 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.048 1.562 0.428 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.670 -0.819 -0.235 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.516 1.765 0.129 1.00 0.11 C ATOM 0 H ILE A 127 6.415 1.223 3.138 1.00 0.11 H new ATOM 0 HA ILE A 127 4.607 0.711 1.065 1.00 0.11 H new ATOM 0 HB ILE A 127 7.466 -0.170 1.619 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.473 1.772 -0.474 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.738 2.287 1.180 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.635 -0.810 -0.742 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.467 -1.821 0.142 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.889 -0.530 -0.938 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.679 2.786 -0.215 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.099 1.589 1.033 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.829 1.066 -0.647 1.00 0.11 H new ATOM 1280 N ASN A 128 5.593 -1.931 2.795 1.00 0.12 N ATOM 1281 CA ASN A 128 5.291 -3.286 3.209 1.00 0.14 C ATOM 1282 C ASN A 128 3.864 -3.376 3.722 1.00 0.14 C ATOM 1283 O ASN A 128 3.094 -4.240 3.300 1.00 0.16 O ATOM 1284 CB ASN A 128 6.252 -3.705 4.328 1.00 0.20 C ATOM 1285 CG ASN A 128 7.682 -3.961 3.872 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.410 -4.716 4.499 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.098 -3.342 2.785 1.00 0.26 N ATOM 0 H ASN A 128 6.417 -1.541 3.254 1.00 0.12 H new ATOM 0 HA ASN A 128 5.405 -3.948 2.351 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.262 -2.927 5.091 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.867 -4.609 4.800 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.049 -3.488 2.448 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.468 -2.717 2.281 1.00 0.26 H new ATOM 1294 N GLU A 129 3.529 -2.469 4.640 1.00 0.13 N ATOM 1295 CA GLU A 129 2.193 -2.398 5.209 1.00 0.16 C ATOM 1296 C GLU A 129 1.159 -2.248 4.127 1.00 0.15 C ATOM 1297 O GLU A 129 0.335 -3.124 3.938 1.00 0.17 O ATOM 1298 CB GLU A 129 2.080 -1.220 6.175 1.00 0.23 C ATOM 1299 CG GLU A 129 2.773 -1.471 7.489 1.00 0.29 C ATOM 1300 CD GLU A 129 2.558 -0.363 8.501 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.393 0.020 8.730 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.555 0.144 9.057 1.00 1.03 O ATOM 0 H GLU A 129 4.175 -1.769 5.005 1.00 0.13 H new ATOM 0 HA GLU A 129 2.015 -3.327 5.750 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.507 -0.332 5.709 1.00 0.23 H new ATOM 0 HB3 GLU A 129 1.027 -1.008 6.360 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.414 -2.411 7.908 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.842 -1.589 7.311 1.00 0.29 H new ATOM 1309 N LEU A 130 1.255 -1.156 3.396 1.00 0.14 N ATOM 1310 CA LEU A 130 0.314 -0.832 2.336 1.00 0.15 C ATOM 1311 C LEU A 130 0.119 -2.010 1.377 1.00 0.15 C ATOM 1312 O LEU A 130 -1.000 -2.293 0.965 1.00 0.18 O ATOM 1313 CB LEU A 130 0.835 0.398 1.600 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.142 1.098 0.667 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.492 1.284 1.341 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.438 2.444 0.268 1.00 0.12 C ATOM 0 H LEU A 130 1.992 -0.462 3.519 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.665 -0.621 2.767 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.175 1.121 2.342 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.709 0.103 1.019 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.294 0.485 -0.221 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.175 1.786 0.656 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.901 0.310 1.612 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.370 1.889 2.240 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.254 2.955 -0.401 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.595 3.051 1.160 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.390 2.293 -0.241 1.00 0.12 H new ATOM 1328 N CYS A 131 1.202 -2.708 1.052 1.00 0.14 N ATOM 1329 CA CYS A 131 1.126 -3.879 0.181 1.00 0.17 C ATOM 1330 C CYS A 131 0.415 -5.046 0.873 1.00 0.18 C ATOM 1331 O CYS A 131 -0.476 -5.675 0.294 1.00 0.21 O ATOM 1332 CB CYS A 131 2.532 -4.301 -0.252 1.00 0.20 C ATOM 1333 SG CYS A 131 2.587 -5.805 -1.258 1.00 0.53 S ATOM 0 H CYS A 131 2.143 -2.485 1.377 1.00 0.14 H new ATOM 0 HA CYS A 131 0.543 -3.607 -0.699 1.00 0.17 H new ATOM 0 HB2 CYS A 131 2.985 -3.485 -0.815 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.143 -4.452 0.638 1.00 0.20 H new ATOM 0 HG CYS A 131 3.575 -5.729 -2.099 1.00 0.53 H new ATOM 1339 N THR A 132 0.795 -5.325 2.114 1.00 0.19 N ATOM 1340 CA THR A 132 0.190 -6.415 2.871 1.00 0.23 C ATOM 1341 C THR A 132 -1.272 -6.097 3.149 1.00 0.21 C ATOM 1342 O THR A 132 -2.140 -6.967 3.094 1.00 0.22 O ATOM 1343 CB THR A 132 0.920 -6.634 4.207 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.329 -6.741 3.979 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.413 -7.893 4.895 1.00 0.36 C ATOM 0 H THR A 132 1.519 -4.812 2.618 1.00 0.19 H new ATOM 0 HA THR A 132 0.270 -7.325 2.276 1.00 0.23 H new ATOM 0 HB THR A 132 0.721 -5.780 4.854 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.686 -5.865 3.723 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.942 -8.030 5.838 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.655 -7.797 5.089 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.589 -8.755 4.252 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.513 -4.825 3.417 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.836 -4.280 3.643 1.00 0.17 C ATOM 1355 C VAL A 133 -3.776 -4.654 2.501 1.00 0.18 C ATOM 1356 O VAL A 133 -4.934 -5.020 2.719 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.723 -2.739 3.774 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.032 -2.045 3.466 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.227 -2.349 5.165 1.00 0.18 C ATOM 0 H VAL A 133 -0.773 -4.126 3.485 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.250 -4.697 4.561 1.00 0.17 H new ATOM 0 HB VAL A 133 -1.995 -2.407 3.034 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.906 -0.967 3.570 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.336 -2.278 2.445 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.799 -2.389 4.160 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.155 -1.264 5.235 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.926 -2.715 5.917 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.245 -2.789 5.338 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.246 -4.605 1.293 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.021 -4.880 0.101 1.00 0.20 C ATOM 1371 C LEU A 134 -4.444 -6.343 0.020 1.00 0.23 C ATOM 1372 O LEU A 134 -5.579 -6.640 -0.303 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.220 -4.477 -1.128 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.824 -3.005 -1.143 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.948 -2.678 -2.333 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -4.060 -2.138 -1.140 1.00 0.20 C ATOM 0 H LEU A 134 -2.269 -4.374 1.112 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.937 -4.291 0.145 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.319 -5.088 -1.180 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.806 -4.696 -2.021 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.244 -2.801 -0.243 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.685 -1.620 -2.311 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -1.039 -3.279 -2.292 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.488 -2.899 -3.254 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.768 -1.088 -1.151 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.660 -2.357 -2.023 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.646 -2.342 -0.244 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.553 -7.265 0.306 1.00 0.25 N ATOM 1389 CA LYS A 135 -3.929 -8.668 0.261 1.00 0.29 C ATOM 1390 C LYS A 135 -4.666 -9.094 1.526 1.00 0.30 C ATOM 1391 O LYS A 135 -5.452 -10.040 1.511 1.00 0.35 O ATOM 1392 CB LYS A 135 -2.732 -9.565 -0.033 1.00 0.33 C ATOM 1393 CG LYS A 135 -2.576 -9.836 -1.524 1.00 0.38 C ATOM 1394 CD LYS A 135 -3.895 -10.315 -2.129 1.00 0.45 C ATOM 1395 CE LYS A 135 -3.777 -10.609 -3.617 1.00 0.91 C ATOM 1396 NZ LYS A 135 -3.173 -11.939 -3.900 1.00 1.59 N ATOM 0 H LYS A 135 -2.584 -7.081 0.567 1.00 0.25 H new ATOM 0 HA LYS A 135 -4.625 -8.789 -0.569 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -1.825 -9.095 0.347 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -2.848 -10.510 0.497 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.246 -8.929 -2.031 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -1.803 -10.588 -1.683 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.225 -11.214 -1.609 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -4.661 -9.556 -1.971 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -4.767 -10.562 -4.071 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -3.173 -9.834 -4.088 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -3.118 -12.084 -4.928 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -2.217 -11.980 -3.493 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -3.761 -12.685 -3.476 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.391 -8.403 2.621 1.00 0.27 N ATOM 1411 CA ALA A 136 -5.041 -8.694 3.893 1.00 0.30 C ATOM 1412 C ALA A 136 -6.544 -8.413 3.851 1.00 0.31 C ATOM 1413 O ALA A 136 -7.343 -9.235 4.296 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.399 -7.888 5.019 1.00 0.33 C ATOM 0 H ALA A 136 -3.721 -7.635 2.656 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.905 -9.759 4.083 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.897 -8.118 5.961 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.343 -8.146 5.095 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.498 -6.823 4.807 1.00 0.33 H new ATOM 1420 N HIS A 137 -6.930 -7.257 3.317 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.310 -6.801 3.431 1.00 0.35 C ATOM 1422 C HIS A 137 -9.078 -6.909 2.117 1.00 0.35 C ATOM 1423 O HIS A 137 -10.271 -6.614 2.060 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.340 -5.369 3.947 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.551 -5.171 5.205 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -7.936 -5.669 6.431 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.358 -4.566 5.408 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -7.012 -5.384 7.329 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -6.046 -4.712 6.734 1.00 0.49 N ATOM 0 H HIS A 137 -6.313 -6.625 2.806 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.811 -7.459 4.141 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -7.951 -4.705 3.175 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.375 -5.077 4.127 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -5.762 -4.061 4.662 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -7.042 -5.655 8.374 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -5.203 -4.358 7.187 1.00 0.49 H new ATOM 1438 N SER A 138 -8.404 -7.333 1.065 1.00 0.31 N ATOM 1439 CA SER A 138 -9.050 -7.538 -0.217 1.00 0.33 C ATOM 1440 C SER A 138 -8.909 -9.004 -0.614 1.00 0.55 C ATOM 1441 O SER A 138 -8.449 -9.815 0.192 1.00 1.05 O ATOM 1442 CB SER A 138 -8.459 -6.629 -1.294 1.00 0.38 C ATOM 1443 OG SER A 138 -7.760 -5.553 -0.735 1.00 1.00 O ATOM 0 H SER A 138 -7.406 -7.543 1.073 1.00 0.31 H new ATOM 0 HA SER A 138 -10.105 -7.281 -0.125 1.00 0.33 H new ATOM 0 HB2 SER A 138 -7.789 -7.207 -1.931 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.259 -6.252 -1.931 1.00 0.38 H new ATOM 0 HG SER A 138 -6.920 -5.875 -0.346 1.00 1.00 H new ATOM 1624 N SER B 27 4.393 -10.845 2.471 1.00 0.55 N ATOM 1625 CA SER B 27 3.806 -9.603 2.908 1.00 0.54 C ATOM 1626 C SER B 27 4.823 -8.467 2.871 1.00 0.44 C ATOM 1627 O SER B 27 5.066 -7.858 1.828 1.00 0.53 O ATOM 1628 CB SER B 27 3.236 -9.789 4.317 1.00 0.75 C ATOM 1629 OG SER B 27 4.152 -10.490 5.151 1.00 1.37 O ATOM 0 HA SER B 27 3.000 -9.329 2.227 1.00 0.54 H new ATOM 0 HB2 SER B 27 3.013 -8.816 4.754 1.00 0.75 H new ATOM 0 HB3 SER B 27 2.295 -10.337 4.263 1.00 0.75 H new ATOM 0 HG SER B 27 4.685 -11.106 4.606 1.00 1.37 H new ATOM 1635 N ASP B 28 5.425 -8.220 4.012 1.00 0.43 N ATOM 1636 CA ASP B 28 6.445 -7.196 4.165 1.00 0.37 C ATOM 1637 C ASP B 28 7.771 -7.696 3.604 1.00 0.33 C ATOM 1638 O ASP B 28 8.496 -6.965 2.928 1.00 0.31 O ATOM 1639 CB ASP B 28 6.581 -6.808 5.652 1.00 0.44 C ATOM 1640 CG ASP B 28 6.726 -8.014 6.562 1.00 0.95 C ATOM 1641 OD1 ASP B 28 5.782 -8.823 6.653 1.00 1.07 O ATOM 1642 OD2 ASP B 28 7.798 -8.167 7.188 1.00 1.83 O ATOM 0 H ASP B 28 5.221 -8.728 4.873 1.00 0.43 H new ATOM 0 HA ASP B 28 6.153 -6.307 3.607 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.448 -6.158 5.776 1.00 0.44 H new ATOM 0 HB3 ASP B 28 5.706 -6.233 5.955 1.00 0.44 H new ATOM 1647 N SER B 29 8.044 -8.968 3.835 1.00 0.36 N ATOM 1648 CA SER B 29 9.291 -9.583 3.410 1.00 0.34 C ATOM 1649 C SER B 29 9.446 -9.578 1.895 1.00 0.33 C ATOM 1650 O SER B 29 10.560 -9.590 1.373 1.00 0.34 O ATOM 1651 CB SER B 29 9.349 -10.998 3.944 1.00 0.39 C ATOM 1652 OG SER B 29 8.047 -11.479 4.243 1.00 1.07 O ATOM 0 H SER B 29 7.410 -9.603 4.321 1.00 0.36 H new ATOM 0 HA SER B 29 10.117 -8.997 3.813 1.00 0.34 H new ATOM 0 HB2 SER B 29 9.822 -11.649 3.209 1.00 0.39 H new ATOM 0 HB3 SER B 29 9.967 -11.028 4.841 1.00 0.39 H new ATOM 0 HG SER B 29 8.107 -12.395 4.585 1.00 1.07 H new ATOM 1658 N GLU B 30 8.316 -9.551 1.210 1.00 0.35 N ATOM 1659 CA GLU B 30 8.273 -9.505 -0.251 1.00 0.37 C ATOM 1660 C GLU B 30 9.107 -8.344 -0.789 1.00 0.34 C ATOM 1661 O GLU B 30 9.762 -8.452 -1.822 1.00 0.39 O ATOM 1662 CB GLU B 30 6.837 -9.350 -0.709 1.00 0.45 C ATOM 1663 CG GLU B 30 6.666 -9.445 -2.200 1.00 0.68 C ATOM 1664 CD GLU B 30 7.034 -10.791 -2.780 1.00 1.37 C ATOM 1665 OE1 GLU B 30 6.280 -11.761 -2.562 1.00 1.57 O ATOM 1666 OE2 GLU B 30 8.049 -10.873 -3.505 1.00 2.33 O ATOM 0 H GLU B 30 7.395 -9.560 1.649 1.00 0.35 H new ATOM 0 HA GLU B 30 8.690 -10.435 -0.637 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.228 -10.118 -0.232 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.458 -8.386 -0.369 1.00 0.45 H new ATOM 0 HG2 GLU B 30 5.628 -9.225 -2.450 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.278 -8.678 -2.674 1.00 0.68 H new ATOM 1673 N LEU B 31 9.073 -7.240 -0.073 1.00 0.28 N ATOM 1674 CA LEU B 31 9.829 -6.062 -0.431 1.00 0.24 C ATOM 1675 C LEU B 31 11.292 -6.288 -0.123 1.00 0.25 C ATOM 1676 O LEU B 31 12.172 -6.081 -0.954 1.00 0.26 O ATOM 1677 CB LEU B 31 9.359 -4.872 0.376 1.00 0.20 C ATOM 1678 CG LEU B 31 7.937 -4.358 0.125 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.794 -3.752 -1.255 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.909 -5.440 0.341 1.00 0.24 C ATOM 0 H LEU B 31 8.518 -7.136 0.776 1.00 0.28 H new ATOM 0 HA LEU B 31 9.685 -5.870 -1.494 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.441 -5.129 1.432 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.050 -4.049 0.194 1.00 0.20 H new ATOM 0 HG LEU B 31 7.754 -3.570 0.855 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.772 -3.400 -1.394 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.484 -2.914 -1.358 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.023 -4.505 -2.009 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.913 -5.038 0.154 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.101 -6.266 -0.343 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.968 -5.798 1.369 1.00 0.24 H new ATOM 1692 N GLU B 32 11.506 -6.734 1.102 1.00 0.26 N ATOM 1693 CA GLU B 32 12.840 -6.944 1.669 1.00 0.29 C ATOM 1694 C GLU B 32 13.714 -7.814 0.784 1.00 0.33 C ATOM 1695 O GLU B 32 14.941 -7.773 0.875 1.00 0.38 O ATOM 1696 CB GLU B 32 12.746 -7.607 3.038 1.00 0.29 C ATOM 1697 CG GLU B 32 11.600 -7.124 3.904 1.00 0.26 C ATOM 1698 CD GLU B 32 11.683 -7.703 5.301 1.00 0.34 C ATOM 1699 OE1 GLU B 32 11.714 -8.947 5.432 1.00 0.59 O ATOM 1700 OE2 GLU B 32 11.752 -6.924 6.273 1.00 0.47 O ATOM 0 H GLU B 32 10.750 -6.966 1.747 1.00 0.26 H new ATOM 0 HA GLU B 32 13.293 -5.956 1.751 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.648 -8.684 2.898 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.681 -7.439 3.572 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.616 -6.035 3.958 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.652 -7.407 3.447 1.00 0.26 H new ATOM 1707 N GLN B 33 13.067 -8.609 -0.048 1.00 0.35 N ATOM 1708 CA GLN B 33 13.750 -9.533 -0.946 1.00 0.40 C ATOM 1709 C GLN B 33 14.851 -8.826 -1.720 1.00 0.39 C ATOM 1710 O GLN B 33 15.989 -9.292 -1.784 1.00 0.48 O ATOM 1711 CB GLN B 33 12.759 -10.132 -1.933 1.00 0.43 C ATOM 1712 CG GLN B 33 11.578 -10.806 -1.283 1.00 0.47 C ATOM 1713 CD GLN B 33 11.967 -12.012 -0.460 1.00 0.57 C ATOM 1714 OE1 GLN B 33 12.051 -13.126 -0.971 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.172 -11.799 0.823 1.00 0.57 N ATOM 0 H GLN B 33 12.050 -8.635 -0.123 1.00 0.35 H new ATOM 0 HA GLN B 33 14.193 -10.323 -0.339 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.397 -9.343 -2.592 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.279 -10.857 -2.559 1.00 0.43 H new ATOM 0 HG2 GLN B 33 11.063 -10.088 -0.645 1.00 0.47 H new ATOM 0 HG3 GLN B 33 10.871 -11.112 -2.054 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.091 -10.856 1.203 1.00 0.57 H new ATOM 0 HE22 GLN B 33 12.412 -12.577 1.437 1.00 0.57 H new ATOM 1724 N TYR B 34 14.499 -7.687 -2.281 1.00 0.32 N ATOM 1725 CA TYR B 34 15.398 -6.956 -3.155 1.00 0.32 C ATOM 1726 C TYR B 34 15.712 -5.563 -2.619 1.00 0.30 C ATOM 1727 O TYR B 34 16.777 -5.015 -2.911 1.00 0.37 O ATOM 1728 CB TYR B 34 14.793 -6.861 -4.556 1.00 0.32 C ATOM 1729 CG TYR B 34 13.290 -7.019 -4.574 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.474 -6.128 -3.898 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.686 -8.063 -5.262 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.115 -6.265 -3.893 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.313 -8.208 -5.266 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.530 -7.304 -4.580 1.00 0.34 C ATOM 1735 OH TYR B 34 9.163 -7.454 -4.565 1.00 0.40 O ATOM 0 H TYR B 34 13.590 -7.244 -2.147 1.00 0.32 H new ATOM 0 HA TYR B 34 16.339 -7.505 -3.198 1.00 0.32 H new ATOM 0 HB2 TYR B 34 15.055 -5.897 -4.992 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.239 -7.628 -5.189 1.00 0.32 H new ATOM 0 HD1 TYR B 34 12.923 -5.305 -3.362 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.298 -8.771 -5.801 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.501 -5.560 -3.352 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.855 -9.025 -5.804 1.00 0.42 H new ATOM 0 HH TYR B 34 8.745 -6.614 -4.281 1.00 0.40 H new ATOM 1745 N PHE B 35 14.807 -4.987 -1.833 1.00 0.27 N ATOM 1746 CA PHE B 35 15.003 -3.628 -1.351 1.00 0.26 C ATOM 1747 C PHE B 35 14.427 -3.418 0.041 1.00 0.25 C ATOM 1748 O PHE B 35 13.464 -4.068 0.419 1.00 0.25 O ATOM 1749 CB PHE B 35 14.409 -2.606 -2.328 1.00 0.25 C ATOM 1750 CG PHE B 35 12.960 -2.787 -2.687 1.00 0.21 C ATOM 1751 CD1 PHE B 35 11.973 -2.728 -1.726 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.591 -2.987 -4.006 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.652 -2.869 -2.062 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.263 -3.134 -4.353 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.291 -3.077 -3.378 1.00 0.18 C ATOM 0 H PHE B 35 13.944 -5.433 -1.521 1.00 0.27 H new ATOM 0 HA PHE B 35 16.080 -3.473 -1.287 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.533 -1.612 -1.899 1.00 0.25 H new ATOM 0 HB3 PHE B 35 14.994 -2.632 -3.247 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.245 -2.568 -0.693 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.351 -3.029 -4.772 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.892 -2.817 -1.296 1.00 0.16 H new ATOM 0 HE2 PHE B 35 10.987 -3.293 -5.385 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.251 -3.195 -3.642 1.00 0.18 H new ATOM 1765 N THR B 36 15.048 -2.509 0.789 1.00 0.27 N ATOM 1766 CA THR B 36 14.570 -2.073 2.102 1.00 0.27 C ATOM 1767 C THR B 36 15.444 -0.934 2.628 1.00 0.32 C ATOM 1768 O THR B 36 16.188 -0.322 1.863 1.00 0.45 O ATOM 1769 CB THR B 36 14.528 -3.221 3.132 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.466 -4.248 2.776 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.124 -3.789 3.221 1.00 0.27 C ATOM 0 H THR B 36 15.909 -2.047 0.497 1.00 0.27 H new ATOM 0 HA THR B 36 13.546 -1.724 1.967 1.00 0.27 H new ATOM 0 HB THR B 36 14.807 -2.827 4.109 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.429 -4.969 3.439 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.105 -4.599 3.951 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.433 -3.005 3.531 1.00 0.27 H new ATOM 0 HG23 THR B 36 12.824 -4.172 2.246 1.00 0.27 H new ATOM 1779 N ALA B 37 15.343 -0.640 3.917 1.00 0.32 N ATOM 1780 CA ALA B 37 16.099 0.458 4.512 1.00 0.35 C ATOM 1781 C ALA B 37 16.770 0.018 5.800 1.00 0.43 C ATOM 1782 O ALA B 37 16.821 -1.173 6.113 1.00 0.53 O ATOM 1783 CB ALA B 37 15.195 1.649 4.795 1.00 0.29 C ATOM 0 H ALA B 37 14.746 -1.145 4.572 1.00 0.32 H new ATOM 0 HA ALA B 37 16.865 0.755 3.795 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.782 2.454 5.238 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.748 1.996 3.863 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.407 1.351 5.487 1.00 0.29 H new ATOM 1789 N ARG B 38 17.269 0.998 6.542 1.00 0.44 N ATOM 1790 CA ARG B 38 17.928 0.762 7.811 1.00 0.52 C ATOM 1791 C ARG B 38 17.008 0.027 8.791 1.00 0.56 C ATOM 1792 O ARG B 38 17.407 -0.966 9.401 1.00 0.67 O ATOM 1793 CB ARG B 38 18.405 2.095 8.410 1.00 0.57 C ATOM 1794 CG ARG B 38 17.301 2.996 8.944 1.00 0.67 C ATOM 1795 CD ARG B 38 16.534 3.699 7.853 1.00 0.93 C ATOM 1796 NE ARG B 38 17.378 4.520 6.980 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.707 5.793 7.214 1.00 2.28 C ATOM 1798 NH1 ARG B 38 17.461 6.359 8.389 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.329 6.492 6.278 1.00 2.94 N ATOM 0 H ARG B 38 17.226 1.982 6.276 1.00 0.44 H new ATOM 0 HA ARG B 38 18.793 0.123 7.633 1.00 0.52 H new ATOM 0 HB2 ARG B 38 19.102 1.882 9.220 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.960 2.640 7.647 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.610 2.400 9.540 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.737 3.740 9.611 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.014 2.956 7.248 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.771 4.331 8.306 1.00 0.93 H new ATOM 0 HE ARG B 38 17.741 4.087 6.131 1.00 1.60 H new ATOM 0 HH11 ARG B 38 17.014 5.820 9.131 1.00 2.75 H new ATOM 0 HH12 ARG B 38 17.719 7.333 8.550 1.00 2.75 H new ATOM 0 HH21 ARG B 38 18.555 6.058 5.383 1.00 2.94 H new ATOM 0 HH22 ARG B 38 18.582 7.465 6.452 1.00 2.94 H new ATOM 1813 N TRP B 39 15.777 0.521 8.908 1.00 0.54 N ATOM 1814 CA TRP B 39 14.757 -0.074 9.756 1.00 0.64 C ATOM 1815 C TRP B 39 15.213 -0.170 11.204 1.00 0.85 C ATOM 1816 O TRP B 39 15.341 0.893 11.844 1.00 1.41 O ATOM 1817 CB TRP B 39 14.356 -1.437 9.198 1.00 0.60 C ATOM 1818 CG TRP B 39 13.600 -1.313 7.927 1.00 0.43 C ATOM 1819 CD1 TRP B 39 13.744 -0.345 6.988 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.580 -2.181 7.461 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.851 -0.545 5.967 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.129 -1.677 6.233 1.00 0.23 C ATOM 1823 CE3 TRP B 39 12.003 -3.335 7.967 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.123 -2.296 5.507 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 11.010 -3.943 7.244 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.577 -3.424 6.026 1.00 0.25 C ATOM 1827 OXT TRP B 39 15.400 -1.291 11.712 1.00 1.45 O ATOM 0 H TRP B 39 15.461 1.353 8.410 1.00 0.54 H new ATOM 0 HA TRP B 39 13.881 0.574 9.752 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.250 -2.039 9.032 1.00 0.60 H new ATOM 0 HB3 TRP B 39 13.748 -1.965 9.932 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.457 0.464 7.037 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.743 0.051 5.146 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.329 -3.746 8.911 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.786 -1.895 4.563 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.553 -4.844 7.627 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.791 -3.930 5.484 1.00 0.25 H new