USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 683 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 68 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 70 LYS NZ :NH3+ -120:sc= 0 (180deg=-1.03) USER MOD Set 2.1: A 51 THR OG1 : rot 90:sc= 0.718 USER MOD Set 2.2: A 52 HIS : no HD1:sc= -0.739 K(o=-0.021,f=-4.1!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -3.23 K(o=-3.2,f=-5.8!) USER MOD Single : A 16 CYS SG : rot 69:sc= 0.852 USER MOD Single : A 19 SER OG : rot 180:sc= -0.107 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-7.4!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -169:sc= -0.376 (180deg=-0.823) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 75:sc= 0.634 USER MOD Single : A 37 MET CE :methyl 147:sc= -0.491 (180deg=-1.4) USER MOD Single : A 38 GLN : amide:sc= -3.35! C(o=-3.3!,f=-3.4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -80:sc= 0.417 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot -37:sc= 0.418 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -4.51! C(o=-4.5!,f=-2.8!) USER MOD Single : A 82 SER OG : rot 175:sc= 0.478 USER MOD Single : A 84 GLN : amide:sc= -0.29 K(o=-0.29,f=-3!) USER MOD Single : A 85 MET CE :methyl -124:sc= -5.84! (180deg=-8.83!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.00417 USER MOD Single : A 93 MET CE :methyl 143:sc= -0.114 (180deg=-0.389) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 97:sc= 0.0849 USER MOD ----------------------------------------------------------------- ATOM 86 N LYS A 9 -1.655 18.604 -4.599 1.00 0.00 N ATOM 87 CA LYS A 9 -1.093 17.458 -3.895 1.00 0.00 C ATOM 88 C LYS A 9 -1.791 16.167 -4.311 1.00 0.00 C ATOM 89 O LYS A 9 -2.987 16.163 -4.605 1.00 0.00 O ATOM 90 CB LYS A 9 -1.216 17.652 -2.382 1.00 0.00 C ATOM 91 CG LYS A 9 -0.627 16.509 -1.572 1.00 0.00 C ATOM 92 CD LYS A 9 0.832 16.760 -1.233 1.00 0.00 C ATOM 93 CE LYS A 9 1.758 16.175 -2.289 1.00 0.00 C ATOM 94 NZ LYS A 9 3.021 16.954 -2.411 1.00 0.00 N ATOM 0 HA LYS A 9 -0.039 17.382 -4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.717 18.580 -2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.269 17.765 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.198 16.381 -0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.716 15.580 -2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.008 17.832 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.062 16.321 -0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.992 15.141 -2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.247 16.159 -3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.625 16.524 -3.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.800 17.934 -2.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.522 16.949 -1.499 1.00 0.00 H new ATOM 108 N VAL A 10 -1.038 15.072 -4.332 1.00 0.00 N ATOM 109 CA VAL A 10 -1.586 13.774 -4.710 1.00 0.00 C ATOM 110 C VAL A 10 -1.341 12.737 -3.620 1.00 0.00 C ATOM 111 O VAL A 10 -0.248 12.632 -3.062 1.00 0.00 O ATOM 112 CB VAL A 10 -0.975 13.270 -6.031 1.00 0.00 C ATOM 113 CG1 VAL A 10 0.475 12.859 -5.826 1.00 0.00 C ATOM 114 CG2 VAL A 10 -1.792 12.114 -6.588 1.00 0.00 C ATOM 0 H VAL A 10 -0.047 15.057 -4.092 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.659 13.909 -4.844 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.998 14.084 -6.756 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.890 12.506 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.050 13.716 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.526 12.060 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.346 11.770 -7.521 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.803 11.296 -5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.813 12.447 -6.774 1.00 0.00 H new ATOM 124 N PRO A 11 -2.381 11.949 -3.309 1.00 0.00 N ATOM 125 CA PRO A 11 -2.304 10.904 -2.284 1.00 0.00 C ATOM 126 C PRO A 11 -1.422 9.736 -2.713 1.00 0.00 C ATOM 127 O PRO A 11 -1.221 9.482 -3.901 1.00 0.00 O ATOM 128 CB PRO A 11 -3.757 10.448 -2.131 1.00 0.00 C ATOM 129 CG PRO A 11 -4.395 10.774 -3.438 1.00 0.00 C ATOM 130 CD PRO A 11 -3.713 12.018 -3.933 1.00 0.00 C ATOM 0 HA PRO A 11 -1.859 11.272 -1.360 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.817 9.381 -1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.250 10.967 -1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.274 9.955 -4.146 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.466 10.937 -3.319 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.647 12.034 -5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.251 12.917 -3.633 1.00 0.00 H new ATOM 138 N PRO A 12 -0.883 9.006 -1.725 1.00 0.00 N ATOM 139 CA PRO A 12 -0.014 7.852 -1.977 1.00 0.00 C ATOM 140 C PRO A 12 -0.777 6.670 -2.565 1.00 0.00 C ATOM 141 O PRO A 12 -0.178 5.687 -3.002 1.00 0.00 O ATOM 142 CB PRO A 12 0.523 7.503 -0.587 1.00 0.00 C ATOM 143 CG PRO A 12 -0.506 8.020 0.358 1.00 0.00 C ATOM 144 CD PRO A 12 -1.079 9.252 -0.287 1.00 0.00 C ATOM 0 HA PRO A 12 0.764 8.079 -2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.659 6.427 -0.474 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.493 7.968 -0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.282 7.275 0.535 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.064 8.256 1.326 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.133 9.381 -0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.563 10.154 0.040 1.00 0.00 H new ATOM 152 N PHE A 13 -2.102 6.773 -2.575 1.00 0.00 N ATOM 153 CA PHE A 13 -2.947 5.711 -3.110 1.00 0.00 C ATOM 154 C PHE A 13 -3.880 6.251 -4.191 1.00 0.00 C ATOM 155 O PHE A 13 -4.926 5.667 -4.469 1.00 0.00 O ATOM 156 CB PHE A 13 -3.765 5.068 -1.989 1.00 0.00 C ATOM 157 CG PHE A 13 -2.922 4.433 -0.920 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.779 3.723 -1.251 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.273 4.547 0.416 1.00 0.00 C ATOM 160 CE1 PHE A 13 -1.001 3.139 -0.269 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.498 3.965 1.401 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.362 3.259 1.058 1.00 0.00 C ATOM 0 H PHE A 13 -2.614 7.580 -2.219 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.300 4.956 -3.557 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.403 5.826 -1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.423 4.313 -2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.493 3.625 -2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.161 5.096 0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.112 2.589 -0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.781 4.062 2.439 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.757 2.801 1.827 1.00 0.00 H new ATOM 172 N GLN A 14 -3.492 7.370 -4.794 1.00 0.00 N ATOM 173 CA GLN A 14 -4.294 7.990 -5.842 1.00 0.00 C ATOM 174 C GLN A 14 -4.805 6.943 -6.827 1.00 0.00 C ATOM 175 O GLN A 14 -4.029 6.164 -7.380 1.00 0.00 O ATOM 176 CB GLN A 14 -3.473 9.046 -6.584 1.00 0.00 C ATOM 177 CG GLN A 14 -4.214 9.685 -7.748 1.00 0.00 C ATOM 178 CD GLN A 14 -4.074 8.894 -9.033 1.00 0.00 C ATOM 179 OE1 GLN A 14 -3.305 7.935 -9.106 1.00 0.00 O ATOM 180 NE2 GLN A 14 -4.820 9.292 -10.058 1.00 0.00 N ATOM 0 H GLN A 14 -2.628 7.866 -4.575 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.152 8.471 -5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.177 9.825 -5.881 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.557 8.587 -6.955 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.270 9.776 -7.495 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.835 10.695 -7.904 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.444 10.092 -9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.769 8.797 -10.949 1.00 0.00 H new ATOM 189 N ASP A 15 -6.117 6.930 -7.040 1.00 0.00 N ATOM 190 CA ASP A 15 -6.732 5.979 -7.958 1.00 0.00 C ATOM 191 C ASP A 15 -6.021 4.631 -7.903 1.00 0.00 C ATOM 192 O ASP A 15 -5.790 3.997 -8.933 1.00 0.00 O ATOM 193 CB ASP A 15 -6.705 6.526 -9.386 1.00 0.00 C ATOM 194 CG ASP A 15 -7.894 7.417 -9.688 1.00 0.00 C ATOM 195 OD1 ASP A 15 -8.403 8.066 -8.750 1.00 0.00 O ATOM 196 OD2 ASP A 15 -8.314 7.468 -10.863 1.00 0.00 O ATOM 0 H ASP A 15 -6.774 7.567 -6.589 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.768 5.835 -7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.785 7.090 -9.539 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.690 5.694 -10.090 1.00 0.00 H new ATOM 201 N CYS A 16 -5.675 4.200 -6.695 1.00 0.00 N ATOM 202 CA CYS A 16 -4.987 2.928 -6.505 1.00 0.00 C ATOM 203 C CYS A 16 -5.690 2.083 -5.448 1.00 0.00 C ATOM 204 O CYS A 16 -5.840 2.505 -4.301 1.00 0.00 O ATOM 205 CB CYS A 16 -3.532 3.166 -6.100 1.00 0.00 C ATOM 206 SG CYS A 16 -2.494 3.820 -7.428 1.00 0.00 S ATOM 0 H CYS A 16 -5.860 4.713 -5.833 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.009 2.387 -7.451 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.509 3.860 -5.260 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.105 2.226 -5.749 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.860 5.036 -7.706 1.00 0.00 H new ATOM 212 N ILE A 17 -6.120 0.889 -5.842 1.00 0.00 N ATOM 213 CA ILE A 17 -6.808 -0.015 -4.928 1.00 0.00 C ATOM 214 C ILE A 17 -5.837 -1.016 -4.311 1.00 0.00 C ATOM 215 O ILE A 17 -4.900 -1.475 -4.967 1.00 0.00 O ATOM 216 CB ILE A 17 -7.937 -0.784 -5.640 1.00 0.00 C ATOM 217 CG1 ILE A 17 -8.857 0.189 -6.380 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.727 -1.611 -4.638 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.544 -0.424 -7.580 1.00 0.00 C ATOM 0 H ILE A 17 -6.004 0.525 -6.788 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.240 0.602 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.493 -1.461 -6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.614 0.559 -5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.275 1.051 -6.706 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.521 -2.149 -5.156 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.063 -2.325 -4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.164 -0.953 -3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.180 0.322 -8.056 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.794 -0.769 -8.292 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.154 -1.268 -7.258 1.00 0.00 H new ATOM 231 N LEU A 18 -6.067 -1.353 -3.047 1.00 0.00 N ATOM 232 CA LEU A 18 -5.214 -2.302 -2.341 1.00 0.00 C ATOM 233 C LEU A 18 -6.038 -3.186 -1.409 1.00 0.00 C ATOM 234 O LEU A 18 -7.130 -2.809 -0.985 1.00 0.00 O ATOM 235 CB LEU A 18 -4.143 -1.559 -1.541 1.00 0.00 C ATOM 236 CG LEU A 18 -3.536 -0.328 -2.215 1.00 0.00 C ATOM 237 CD1 LEU A 18 -4.327 0.921 -1.858 1.00 0.00 C ATOM 238 CD2 LEU A 18 -2.075 -0.168 -1.818 1.00 0.00 C ATOM 0 H LEU A 18 -6.837 -0.983 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.730 -2.938 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.577 -1.251 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.338 -2.258 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.585 -0.468 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.880 1.787 -2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.358 0.807 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.311 1.066 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.659 0.713 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.002 -0.051 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.516 -1.051 -2.126 1.00 0.00 H new ATOM 250 N SER A 19 -5.506 -4.363 -1.095 1.00 0.00 N ATOM 251 CA SER A 19 -6.192 -5.301 -0.215 1.00 0.00 C ATOM 252 C SER A 19 -5.266 -5.776 0.901 1.00 0.00 C ATOM 253 O SER A 19 -4.056 -5.553 0.857 1.00 0.00 O ATOM 254 CB SER A 19 -6.704 -6.501 -1.014 1.00 0.00 C ATOM 255 OG SER A 19 -5.771 -6.887 -2.009 1.00 0.00 O ATOM 0 H SER A 19 -4.602 -4.689 -1.437 1.00 0.00 H new ATOM 0 HA SER A 19 -7.040 -4.785 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.889 -7.338 -0.341 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.656 -6.251 -1.481 1.00 0.00 H new ATOM 0 HG SER A 19 -6.121 -7.657 -2.504 1.00 0.00 H new ATOM 261 N PHE A 20 -5.844 -6.434 1.901 1.00 0.00 N ATOM 262 CA PHE A 20 -5.073 -6.940 3.030 1.00 0.00 C ATOM 263 C PHE A 20 -5.498 -8.362 3.385 1.00 0.00 C ATOM 264 O PHE A 20 -6.650 -8.606 3.746 1.00 0.00 O ATOM 265 CB PHE A 20 -5.245 -6.026 4.245 1.00 0.00 C ATOM 266 CG PHE A 20 -5.185 -4.563 3.907 1.00 0.00 C ATOM 267 CD1 PHE A 20 -3.991 -3.977 3.517 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.321 -3.774 3.981 1.00 0.00 C ATOM 269 CE1 PHE A 20 -3.932 -2.632 3.205 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.269 -2.429 3.670 1.00 0.00 C ATOM 271 CZ PHE A 20 -5.073 -1.857 3.283 1.00 0.00 C ATOM 0 H PHE A 20 -6.844 -6.629 1.952 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.022 -6.954 2.742 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.202 -6.242 4.720 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.468 -6.255 4.975 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.096 -4.579 3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.258 -4.215 4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.996 -2.188 2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.163 -1.825 3.729 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.030 -0.805 3.042 1.00 0.00 H new ATOM 281 N LEU A 21 -4.560 -9.297 3.280 1.00 0.00 N ATOM 282 CA LEU A 21 -4.836 -10.696 3.589 1.00 0.00 C ATOM 283 C LEU A 21 -3.985 -11.173 4.761 1.00 0.00 C ATOM 284 O LEU A 21 -2.863 -10.707 4.956 1.00 0.00 O ATOM 285 CB LEU A 21 -4.573 -11.571 2.363 1.00 0.00 C ATOM 286 CG LEU A 21 -4.607 -13.082 2.597 1.00 0.00 C ATOM 287 CD1 LEU A 21 -6.042 -13.570 2.723 1.00 0.00 C ATOM 288 CD2 LEU A 21 -3.890 -13.813 1.471 1.00 0.00 C ATOM 0 H LEU A 21 -3.602 -9.112 2.983 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.886 -10.780 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.312 -11.325 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.596 -11.308 1.957 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.088 -13.297 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.047 -14.647 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.523 -13.071 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.586 -13.342 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.924 -14.887 1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.380 -13.591 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.851 -13.485 1.428 1.00 0.00 H new ATOM 300 N GLY A 22 -4.526 -12.106 5.538 1.00 0.00 N ATOM 301 CA GLY A 22 -3.801 -12.632 6.680 1.00 0.00 C ATOM 302 C GLY A 22 -4.135 -11.902 7.966 1.00 0.00 C ATOM 303 O GLY A 22 -4.342 -12.525 9.007 1.00 0.00 O ATOM 0 H GLY A 22 -5.453 -12.507 5.397 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.032 -13.691 6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.730 -12.558 6.492 1.00 0.00 H new ATOM 307 N PHE A 23 -4.187 -10.576 7.895 1.00 0.00 N ATOM 308 CA PHE A 23 -4.495 -9.759 9.063 1.00 0.00 C ATOM 309 C PHE A 23 -5.872 -10.106 9.621 1.00 0.00 C ATOM 310 O PHE A 23 -6.654 -10.808 8.980 1.00 0.00 O ATOM 311 CB PHE A 23 -4.438 -8.273 8.702 1.00 0.00 C ATOM 312 CG PHE A 23 -3.253 -7.907 7.855 1.00 0.00 C ATOM 313 CD1 PHE A 23 -3.286 -8.081 6.481 1.00 0.00 C ATOM 314 CD2 PHE A 23 -2.105 -7.389 8.433 1.00 0.00 C ATOM 315 CE1 PHE A 23 -2.197 -7.745 5.698 1.00 0.00 C ATOM 316 CE2 PHE A 23 -1.013 -7.051 7.656 1.00 0.00 C ATOM 317 CZ PHE A 23 -1.059 -7.230 6.287 1.00 0.00 C ATOM 0 H PHE A 23 -4.020 -10.044 7.041 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.748 -9.968 9.829 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.351 -8.001 8.172 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.414 -7.685 9.620 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.173 -8.484 6.016 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.063 -7.248 9.503 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.236 -7.885 4.628 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.125 -6.647 8.119 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.206 -6.968 5.678 1.00 0.00 H new ATOM 327 N SER A 24 -6.161 -9.609 10.819 1.00 0.00 N ATOM 328 CA SER A 24 -7.441 -9.869 11.467 1.00 0.00 C ATOM 329 C SER A 24 -8.430 -8.742 11.187 1.00 0.00 C ATOM 330 O SER A 24 -8.046 -7.578 11.073 1.00 0.00 O ATOM 331 CB SER A 24 -7.250 -10.033 12.976 1.00 0.00 C ATOM 332 OG SER A 24 -8.383 -10.640 13.571 1.00 0.00 O ATOM 0 H SER A 24 -5.526 -9.024 11.361 1.00 0.00 H new ATOM 0 HA SER A 24 -7.846 -10.794 11.058 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.365 -10.639 13.170 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.075 -9.058 13.431 1.00 0.00 H new ATOM 0 HG SER A 24 -8.235 -10.735 14.535 1.00 0.00 H new ATOM 338 N ASP A 25 -9.706 -9.097 11.078 1.00 0.00 N ATOM 339 CA ASP A 25 -10.752 -8.116 10.813 1.00 0.00 C ATOM 340 C ASP A 25 -10.464 -6.805 11.537 1.00 0.00 C ATOM 341 O ASP A 25 -10.857 -5.733 11.079 1.00 0.00 O ATOM 342 CB ASP A 25 -12.114 -8.663 11.243 1.00 0.00 C ATOM 343 CG ASP A 25 -13.263 -7.793 10.771 1.00 0.00 C ATOM 344 OD1 ASP A 25 -13.764 -8.028 9.651 1.00 0.00 O ATOM 345 OD2 ASP A 25 -13.661 -6.878 11.521 1.00 0.00 O ATOM 0 H ASP A 25 -10.041 -10.056 11.169 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.770 -7.921 9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.239 -9.671 10.847 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.144 -8.741 12.330 1.00 0.00 H new ATOM 350 N GLU A 26 -9.777 -6.900 12.671 1.00 0.00 N ATOM 351 CA GLU A 26 -9.439 -5.721 13.460 1.00 0.00 C ATOM 352 C GLU A 26 -8.256 -4.977 12.846 1.00 0.00 C ATOM 353 O GLU A 26 -8.386 -3.832 12.416 1.00 0.00 O ATOM 354 CB GLU A 26 -9.113 -6.120 14.901 1.00 0.00 C ATOM 355 CG GLU A 26 -10.332 -6.183 15.805 1.00 0.00 C ATOM 356 CD GLU A 26 -11.289 -7.294 15.417 1.00 0.00 C ATOM 357 OE1 GLU A 26 -10.942 -8.476 15.621 1.00 0.00 O ATOM 358 OE2 GLU A 26 -12.386 -6.980 14.909 1.00 0.00 O ATOM 0 H GLU A 26 -9.444 -7.780 13.064 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.303 -5.056 13.462 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.623 -7.094 14.898 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.401 -5.406 15.315 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.008 -6.331 16.835 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.856 -5.228 15.769 1.00 0.00 H new ATOM 365 N GLU A 27 -7.103 -5.638 12.811 1.00 0.00 N ATOM 366 CA GLU A 27 -5.897 -5.038 12.252 1.00 0.00 C ATOM 367 C GLU A 27 -6.154 -4.512 10.843 1.00 0.00 C ATOM 368 O GLU A 27 -5.552 -3.526 10.417 1.00 0.00 O ATOM 369 CB GLU A 27 -4.758 -6.060 12.227 1.00 0.00 C ATOM 370 CG GLU A 27 -3.921 -6.070 13.495 1.00 0.00 C ATOM 371 CD GLU A 27 -3.338 -4.709 13.821 1.00 0.00 C ATOM 372 OE1 GLU A 27 -4.047 -3.896 14.449 1.00 0.00 O ATOM 373 OE2 GLU A 27 -2.174 -4.457 13.448 1.00 0.00 O ATOM 0 H GLU A 27 -6.979 -6.587 13.162 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.610 -4.200 12.887 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.177 -7.054 12.070 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.110 -5.849 11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.537 -6.407 14.329 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.111 -6.791 13.385 1.00 0.00 H new ATOM 380 N LYS A 28 -7.051 -5.177 10.124 1.00 0.00 N ATOM 381 CA LYS A 28 -7.390 -4.778 8.763 1.00 0.00 C ATOM 382 C LYS A 28 -8.226 -3.502 8.763 1.00 0.00 C ATOM 383 O LYS A 28 -7.890 -2.563 8.043 1.00 0.00 O ATOM 384 CB LYS A 28 -8.152 -5.900 8.055 1.00 0.00 C ATOM 385 CG LYS A 28 -8.232 -5.725 6.548 1.00 0.00 C ATOM 386 CD LYS A 28 -8.533 -7.040 5.850 1.00 0.00 C ATOM 387 CE LYS A 28 -10.031 -7.281 5.737 1.00 0.00 C ATOM 388 NZ LYS A 28 -10.609 -6.627 4.531 1.00 0.00 N ATOM 0 H LYS A 28 -7.557 -5.996 10.461 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.462 -4.583 8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.669 -6.852 8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.162 -5.953 8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.007 -4.998 6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.290 -5.322 6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.088 -7.035 4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.072 -7.860 6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.224 -8.353 5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.528 -6.901 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.631 -6.815 4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.447 -5.601 4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.153 -7.008 3.677 1.00 0.00 H new ATOM 402 N HIS A 29 -9.284 -3.495 9.560 1.00 0.00 N ATOM 403 CA HIS A 29 -10.152 -2.333 9.642 1.00 0.00 C ATOM 404 C HIS A 29 -9.315 -1.058 9.526 1.00 0.00 C ATOM 405 O HIS A 29 -9.412 -0.298 8.562 1.00 0.00 O ATOM 406 CB HIS A 29 -10.996 -2.374 10.917 1.00 0.00 C ATOM 407 CG HIS A 29 -11.781 -1.110 11.175 1.00 0.00 C ATOM 408 ND1 HIS A 29 -13.141 -1.010 10.935 1.00 0.00 N ATOM 409 CD2 HIS A 29 -11.384 0.104 11.654 1.00 0.00 C ATOM 410 CE1 HIS A 29 -13.533 0.214 11.258 1.00 0.00 C ATOM 411 NE2 HIS A 29 -12.443 0.902 11.703 1.00 0.00 N ATOM 0 H HIS A 29 -9.560 -4.276 10.155 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.856 -2.341 8.810 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.689 -3.213 10.855 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.341 -2.563 11.768 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.378 0.370 11.944 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.539 0.599 11.182 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.442 1.871 12.021 1.00 0.00 H new ATOM 419 N SER A 30 -8.482 -0.839 10.538 1.00 0.00 N ATOM 420 CA SER A 30 -7.618 0.336 10.578 1.00 0.00 C ATOM 421 C SER A 30 -7.052 0.640 9.194 1.00 0.00 C ATOM 422 O SER A 30 -7.097 1.778 8.730 1.00 0.00 O ATOM 423 CB SER A 30 -6.477 0.122 11.573 1.00 0.00 C ATOM 424 OG SER A 30 -6.966 0.042 12.901 1.00 0.00 O ATOM 0 H SER A 30 -8.387 -1.460 11.342 1.00 0.00 H new ATOM 0 HA SER A 30 -8.217 1.187 10.902 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.940 -0.793 11.324 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.763 0.942 11.494 1.00 0.00 H new ATOM 0 HG SER A 30 -6.217 -0.097 13.518 1.00 0.00 H new ATOM 430 N MET A 31 -6.518 -0.388 8.542 1.00 0.00 N ATOM 431 CA MET A 31 -5.943 -0.231 7.211 1.00 0.00 C ATOM 432 C MET A 31 -7.013 0.166 6.199 1.00 0.00 C ATOM 433 O MET A 31 -6.797 1.047 5.368 1.00 0.00 O ATOM 434 CB MET A 31 -5.265 -1.530 6.769 1.00 0.00 C ATOM 435 CG MET A 31 -4.312 -2.101 7.806 1.00 0.00 C ATOM 436 SD MET A 31 -3.941 -3.843 7.524 1.00 0.00 S ATOM 437 CE MET A 31 -2.392 -3.718 6.632 1.00 0.00 C ATOM 0 H MET A 31 -6.472 -1.337 8.913 1.00 0.00 H new ATOM 0 HA MET A 31 -5.198 0.563 7.256 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.031 -2.272 6.544 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.717 -1.348 5.845 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.384 -1.529 7.795 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.747 -1.982 8.798 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.132 -4.692 6.217 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.495 -2.995 5.823 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.606 -3.392 7.313 1.00 0.00 H new ATOM 447 N GLU A 32 -8.167 -0.489 6.277 1.00 0.00 N ATOM 448 CA GLU A 32 -9.270 -0.203 5.366 1.00 0.00 C ATOM 449 C GLU A 32 -9.661 1.271 5.431 1.00 0.00 C ATOM 450 O GLU A 32 -9.721 1.952 4.408 1.00 0.00 O ATOM 451 CB GLU A 32 -10.479 -1.078 5.704 1.00 0.00 C ATOM 452 CG GLU A 32 -10.379 -2.492 5.158 1.00 0.00 C ATOM 453 CD GLU A 32 -10.991 -2.629 3.777 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.236 -2.588 3.675 1.00 0.00 O ATOM 455 OE2 GLU A 32 -10.228 -2.777 2.801 1.00 0.00 O ATOM 0 H GLU A 32 -8.363 -1.220 6.961 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.939 -0.429 4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.593 -1.123 6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.379 -0.608 5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.331 -2.789 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.878 -3.178 5.842 1.00 0.00 H new ATOM 462 N GLU A 33 -9.926 1.754 6.641 1.00 0.00 N ATOM 463 CA GLU A 33 -10.312 3.146 6.838 1.00 0.00 C ATOM 464 C GLU A 33 -9.204 4.089 6.377 1.00 0.00 C ATOM 465 O GLU A 33 -9.471 5.126 5.771 1.00 0.00 O ATOM 466 CB GLU A 33 -10.636 3.405 8.311 1.00 0.00 C ATOM 467 CG GLU A 33 -11.683 2.462 8.879 1.00 0.00 C ATOM 468 CD GLU A 33 -12.466 3.079 10.022 1.00 0.00 C ATOM 469 OE1 GLU A 33 -11.858 3.343 11.081 1.00 0.00 O ATOM 470 OE2 GLU A 33 -13.684 3.298 9.858 1.00 0.00 O ATOM 0 H GLU A 33 -9.880 1.203 7.498 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.202 3.338 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.721 3.314 8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.985 4.432 8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.373 2.171 8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.196 1.551 9.227 1.00 0.00 H new ATOM 477 N MET A 34 -7.962 3.720 6.669 1.00 0.00 N ATOM 478 CA MET A 34 -6.813 4.532 6.283 1.00 0.00 C ATOM 479 C MET A 34 -6.760 4.715 4.770 1.00 0.00 C ATOM 480 O MET A 34 -6.851 5.835 4.265 1.00 0.00 O ATOM 481 CB MET A 34 -5.517 3.887 6.777 1.00 0.00 C ATOM 482 CG MET A 34 -4.357 4.864 6.890 1.00 0.00 C ATOM 483 SD MET A 34 -4.481 5.924 8.343 1.00 0.00 S ATOM 484 CE MET A 34 -3.394 5.068 9.480 1.00 0.00 C ATOM 0 H MET A 34 -7.725 2.865 7.171 1.00 0.00 H new ATOM 0 HA MET A 34 -6.921 5.513 6.746 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.695 3.433 7.752 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.239 3.082 6.096 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.421 4.307 6.930 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.321 5.484 5.994 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.365 5.604 10.429 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.764 4.056 9.646 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.390 5.022 9.059 1.00 0.00 H new ATOM 494 N THR A 35 -6.611 3.607 4.049 1.00 0.00 N ATOM 495 CA THR A 35 -6.545 3.646 2.594 1.00 0.00 C ATOM 496 C THR A 35 -7.489 4.700 2.028 1.00 0.00 C ATOM 497 O THR A 35 -7.172 5.365 1.042 1.00 0.00 O ATOM 498 CB THR A 35 -6.893 2.277 1.979 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.086 1.254 2.572 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.679 2.290 0.473 1.00 0.00 C ATOM 0 H THR A 35 -6.534 2.672 4.450 1.00 0.00 H new ATOM 0 HA THR A 35 -5.519 3.904 2.331 1.00 0.00 H new ATOM 0 HB THR A 35 -7.945 2.071 2.179 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.417 1.058 3.473 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.931 1.313 0.061 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.317 3.050 0.021 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.635 2.517 0.256 1.00 0.00 H new ATOM 508 N GLU A 36 -8.650 4.847 2.658 1.00 0.00 N ATOM 509 CA GLU A 36 -9.641 5.822 2.215 1.00 0.00 C ATOM 510 C GLU A 36 -9.174 7.244 2.510 1.00 0.00 C ATOM 511 O GLU A 36 -8.993 8.051 1.598 1.00 0.00 O ATOM 512 CB GLU A 36 -10.985 5.562 2.898 1.00 0.00 C ATOM 513 CG GLU A 36 -11.885 4.609 2.130 1.00 0.00 C ATOM 514 CD GLU A 36 -12.602 5.286 0.978 1.00 0.00 C ATOM 515 OE1 GLU A 36 -13.490 6.123 1.242 1.00 0.00 O ATOM 516 OE2 GLU A 36 -12.276 4.978 -0.188 1.00 0.00 O ATOM 0 H GLU A 36 -8.928 4.304 3.476 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.763 5.715 1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.804 5.155 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.505 6.511 3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.288 3.782 1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.621 4.182 2.811 1.00 0.00 H new ATOM 523 N MET A 37 -8.982 7.544 3.790 1.00 0.00 N ATOM 524 CA MET A 37 -8.536 8.869 4.206 1.00 0.00 C ATOM 525 C MET A 37 -7.311 9.305 3.409 1.00 0.00 C ATOM 526 O MET A 37 -7.232 10.444 2.950 1.00 0.00 O ATOM 527 CB MET A 37 -8.215 8.876 5.702 1.00 0.00 C ATOM 528 CG MET A 37 -6.778 8.492 6.017 1.00 0.00 C ATOM 529 SD MET A 37 -6.374 8.688 7.763 1.00 0.00 S ATOM 530 CE MET A 37 -7.721 7.786 8.525 1.00 0.00 C ATOM 0 H MET A 37 -9.128 6.888 4.557 1.00 0.00 H new ATOM 0 HA MET A 37 -9.344 9.575 4.012 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.413 9.870 6.103 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.887 8.186 6.213 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.610 7.456 5.723 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.103 9.106 5.421 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.369 7.312 9.441 1.00 0.00 H new ATOM 0 HE2 MET A 37 -8.532 8.474 8.761 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.082 7.022 7.837 1.00 0.00 H new ATOM 540 N GLN A 38 -6.359 8.391 3.248 1.00 0.00 N ATOM 541 CA GLN A 38 -5.138 8.683 2.507 1.00 0.00 C ATOM 542 C GLN A 38 -5.460 9.232 1.121 1.00 0.00 C ATOM 543 O GLN A 38 -5.017 10.319 0.754 1.00 0.00 O ATOM 544 CB GLN A 38 -4.278 7.424 2.384 1.00 0.00 C ATOM 545 CG GLN A 38 -3.615 7.010 3.687 1.00 0.00 C ATOM 546 CD GLN A 38 -2.947 8.171 4.398 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.456 9.103 3.761 1.00 0.00 O ATOM 548 NE2 GLN A 38 -2.927 8.121 5.724 1.00 0.00 N ATOM 0 H GLN A 38 -6.410 7.443 3.621 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.582 9.442 3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.899 6.603 2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.508 7.593 1.632 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.362 6.567 4.346 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.873 6.238 3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.346 7.329 6.211 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.492 8.875 6.256 1.00 0.00 H new ATOM 557 N GLY A 39 -6.234 8.470 0.354 1.00 0.00 N ATOM 558 CA GLY A 39 -6.602 8.896 -0.984 1.00 0.00 C ATOM 559 C GLY A 39 -6.713 7.735 -1.952 1.00 0.00 C ATOM 560 O GLY A 39 -6.366 7.861 -3.126 1.00 0.00 O ATOM 0 H GLY A 39 -6.613 7.566 0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.554 9.425 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.860 9.604 -1.354 1.00 0.00 H new ATOM 564 N GLY A 40 -7.197 6.599 -1.459 1.00 0.00 N ATOM 565 CA GLY A 40 -7.342 5.426 -2.302 1.00 0.00 C ATOM 566 C GLY A 40 -8.490 4.538 -1.867 1.00 0.00 C ATOM 567 O GLY A 40 -9.085 4.754 -0.811 1.00 0.00 O ATOM 0 H GLY A 40 -7.491 6.470 -0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.501 5.741 -3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.416 4.852 -2.283 1.00 0.00 H new ATOM 571 N SER A 41 -8.802 3.535 -2.682 1.00 0.00 N ATOM 572 CA SER A 41 -9.890 2.614 -2.378 1.00 0.00 C ATOM 573 C SER A 41 -9.347 1.252 -1.957 1.00 0.00 C ATOM 574 O SER A 41 -8.176 0.942 -2.179 1.00 0.00 O ATOM 575 CB SER A 41 -10.808 2.456 -3.592 1.00 0.00 C ATOM 576 OG SER A 41 -11.390 3.696 -3.956 1.00 0.00 O ATOM 0 H SER A 41 -8.316 3.340 -3.558 1.00 0.00 H new ATOM 0 HA SER A 41 -10.463 3.030 -1.549 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.240 2.057 -4.432 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.593 1.734 -3.367 1.00 0.00 H new ATOM 0 HG SER A 41 -11.971 3.569 -4.735 1.00 0.00 H new ATOM 582 N TYR A 42 -10.206 0.442 -1.347 1.00 0.00 N ATOM 583 CA TYR A 42 -9.813 -0.886 -0.892 1.00 0.00 C ATOM 584 C TYR A 42 -10.866 -1.924 -1.268 1.00 0.00 C ATOM 585 O TYR A 42 -12.064 -1.708 -1.080 1.00 0.00 O ATOM 586 CB TYR A 42 -9.599 -0.886 0.623 1.00 0.00 C ATOM 587 CG TYR A 42 -10.777 -0.346 1.401 1.00 0.00 C ATOM 588 CD1 TYR A 42 -11.935 -1.098 1.559 1.00 0.00 C ATOM 589 CD2 TYR A 42 -10.733 0.917 1.979 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.014 -0.608 2.269 1.00 0.00 C ATOM 591 CE2 TYR A 42 -11.807 1.415 2.691 1.00 0.00 C ATOM 592 CZ TYR A 42 -12.945 0.649 2.833 1.00 0.00 C ATOM 593 OH TYR A 42 -14.017 1.141 3.542 1.00 0.00 O ATOM 0 H TYR A 42 -11.179 0.682 -1.156 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.877 -1.149 -1.385 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.393 -1.904 0.952 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.716 -0.291 0.857 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.992 -2.083 1.119 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -9.844 1.520 1.870 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -13.906 -1.206 2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.756 2.399 3.134 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.805 2.038 3.874 1.00 0.00 H new ATOM 603 N LEU A 43 -10.410 -3.053 -1.800 1.00 0.00 N ATOM 604 CA LEU A 43 -11.311 -4.127 -2.203 1.00 0.00 C ATOM 605 C LEU A 43 -10.976 -5.422 -1.469 1.00 0.00 C ATOM 606 O LEU A 43 -9.860 -5.623 -0.991 1.00 0.00 O ATOM 607 CB LEU A 43 -11.229 -4.348 -3.714 1.00 0.00 C ATOM 608 CG LEU A 43 -12.019 -3.367 -4.580 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.618 -3.501 -6.041 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.515 -3.592 -4.412 1.00 0.00 C ATOM 0 H LEU A 43 -9.422 -3.248 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.327 -3.834 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.181 -4.302 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.578 -5.357 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.785 -2.354 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.191 -2.795 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.554 -3.288 -6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.821 -4.516 -6.382 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.062 -2.885 -5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.766 -4.610 -4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.790 -3.443 -3.368 1.00 0.00 H new ATOM 622 N PRO A 44 -11.965 -6.324 -1.379 1.00 0.00 N ATOM 623 CA PRO A 44 -11.799 -7.616 -0.708 1.00 0.00 C ATOM 624 C PRO A 44 -10.880 -8.557 -1.480 1.00 0.00 C ATOM 625 O PRO A 44 -10.820 -8.513 -2.709 1.00 0.00 O ATOM 626 CB PRO A 44 -13.222 -8.178 -0.662 1.00 0.00 C ATOM 627 CG PRO A 44 -13.925 -7.523 -1.801 1.00 0.00 C ATOM 628 CD PRO A 44 -13.321 -6.151 -1.926 1.00 0.00 C ATOM 0 HA PRO A 44 -11.336 -7.508 0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.223 -9.263 -0.767 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.707 -7.950 0.287 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.793 -8.093 -2.721 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.997 -7.462 -1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.296 -5.816 -2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.889 -5.409 -1.365 1.00 0.00 H new ATOM 636 N VAL A 45 -10.164 -9.408 -0.751 1.00 0.00 N ATOM 637 CA VAL A 45 -9.249 -10.360 -1.368 1.00 0.00 C ATOM 638 C VAL A 45 -9.976 -11.252 -2.369 1.00 0.00 C ATOM 639 O VAL A 45 -11.108 -11.672 -2.134 1.00 0.00 O ATOM 640 CB VAL A 45 -8.564 -11.247 -0.311 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.542 -12.164 -0.963 1.00 0.00 C ATOM 642 CG2 VAL A 45 -7.913 -10.388 0.763 1.00 0.00 C ATOM 0 H VAL A 45 -10.200 -9.457 0.267 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.490 -9.776 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.323 -11.869 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.069 -12.782 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.040 -12.804 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.783 -11.564 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.434 -11.030 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.165 -9.739 0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.673 -9.778 1.251 1.00 0.00 H new ATOM 652 N GLY A 46 -9.315 -11.537 -3.487 1.00 0.00 N ATOM 653 CA GLY A 46 -9.914 -12.378 -4.508 1.00 0.00 C ATOM 654 C GLY A 46 -10.266 -11.604 -5.763 1.00 0.00 C ATOM 655 O GLY A 46 -9.990 -12.053 -6.875 1.00 0.00 O ATOM 0 H GLY A 46 -8.377 -11.201 -3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.224 -13.183 -4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.814 -12.845 -4.108 1.00 0.00 H new ATOM 659 N ASP A 47 -10.880 -10.440 -5.585 1.00 0.00 N ATOM 660 CA ASP A 47 -11.272 -9.602 -6.712 1.00 0.00 C ATOM 661 C ASP A 47 -10.056 -9.205 -7.543 1.00 0.00 C ATOM 662 O ASP A 47 -8.932 -9.183 -7.043 1.00 0.00 O ATOM 663 CB ASP A 47 -11.997 -8.349 -6.216 1.00 0.00 C ATOM 664 CG ASP A 47 -12.832 -7.697 -7.300 1.00 0.00 C ATOM 665 OD1 ASP A 47 -13.286 -8.417 -8.214 1.00 0.00 O ATOM 666 OD2 ASP A 47 -13.031 -6.466 -7.235 1.00 0.00 O ATOM 0 H ASP A 47 -11.117 -10.055 -4.671 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.949 -10.178 -7.343 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.639 -8.613 -5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.265 -7.632 -5.845 1.00 0.00 H new ATOM 671 N GLU A 48 -10.290 -8.894 -8.814 1.00 0.00 N ATOM 672 CA GLU A 48 -9.212 -8.500 -9.714 1.00 0.00 C ATOM 673 C GLU A 48 -9.068 -6.981 -9.758 1.00 0.00 C ATOM 674 O GLU A 48 -7.957 -6.454 -9.819 1.00 0.00 O ATOM 675 CB GLU A 48 -9.471 -9.040 -11.122 1.00 0.00 C ATOM 676 CG GLU A 48 -10.465 -8.211 -11.919 1.00 0.00 C ATOM 677 CD GLU A 48 -9.886 -6.885 -12.373 1.00 0.00 C ATOM 678 OE1 GLU A 48 -8.672 -6.834 -12.662 1.00 0.00 O ATOM 679 OE2 GLU A 48 -10.648 -5.898 -12.440 1.00 0.00 O ATOM 0 H GLU A 48 -11.215 -8.907 -9.243 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.283 -8.925 -9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.527 -9.081 -11.665 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.841 -10.063 -11.047 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.790 -8.779 -12.791 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.350 -8.027 -11.310 1.00 0.00 H new ATOM 686 N ARG A 49 -10.199 -6.284 -9.729 1.00 0.00 N ATOM 687 CA ARG A 49 -10.200 -4.827 -9.767 1.00 0.00 C ATOM 688 C ARG A 49 -9.018 -4.262 -8.984 1.00 0.00 C ATOM 689 O ARG A 49 -8.360 -3.321 -9.427 1.00 0.00 O ATOM 690 CB ARG A 49 -11.511 -4.281 -9.198 1.00 0.00 C ATOM 691 CG ARG A 49 -12.742 -4.728 -9.969 1.00 0.00 C ATOM 692 CD ARG A 49 -13.945 -3.852 -9.654 1.00 0.00 C ATOM 693 NE ARG A 49 -15.195 -4.459 -10.102 1.00 0.00 N ATOM 694 CZ ARG A 49 -16.345 -3.798 -10.183 1.00 0.00 C ATOM 695 NH1 ARG A 49 -16.402 -2.516 -9.849 1.00 0.00 N ATOM 696 NH2 ARG A 49 -17.441 -4.419 -10.601 1.00 0.00 N ATOM 0 H ARG A 49 -11.127 -6.705 -9.679 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.107 -4.516 -10.807 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.607 -4.599 -8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.470 -3.192 -9.195 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.535 -4.693 -11.039 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.971 -5.765 -9.722 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.993 -3.674 -8.580 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.822 -2.881 -10.133 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.185 -5.444 -10.367 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.562 -2.035 -9.529 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.286 -2.011 -9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.401 -5.405 -10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.323 -3.911 -10.663 1.00 0.00 H new ATOM 710 N CYS A 50 -8.757 -4.842 -7.818 1.00 0.00 N ATOM 711 CA CYS A 50 -7.656 -4.395 -6.971 1.00 0.00 C ATOM 712 C CYS A 50 -6.351 -4.347 -7.758 1.00 0.00 C ATOM 713 O CYS A 50 -5.969 -5.320 -8.410 1.00 0.00 O ATOM 714 CB CYS A 50 -7.504 -5.323 -5.765 1.00 0.00 C ATOM 715 SG CYS A 50 -7.303 -7.067 -6.195 1.00 0.00 S ATOM 0 H CYS A 50 -9.292 -5.622 -7.437 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.885 -3.389 -6.620 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.642 -5.003 -5.180 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -8.380 -5.216 -5.126 1.00 0.00 H new ATOM 0 HG CYS A 50 -8.465 -7.584 -6.466 1.00 0.00 H new ATOM 721 N THR A 51 -5.669 -3.207 -7.695 1.00 0.00 N ATOM 722 CA THR A 51 -4.408 -3.030 -8.403 1.00 0.00 C ATOM 723 C THR A 51 -3.240 -3.580 -7.593 1.00 0.00 C ATOM 724 O THR A 51 -2.372 -4.242 -8.161 1.00 0.00 O ATOM 725 CB THR A 51 -4.145 -1.546 -8.719 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.315 -0.755 -7.537 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.085 -1.049 -9.807 1.00 0.00 C ATOM 0 H THR A 51 -5.970 -2.392 -7.160 1.00 0.00 H new ATOM 0 HA THR A 51 -4.490 -3.584 -9.338 1.00 0.00 H new ATOM 0 HB THR A 51 -3.119 -1.450 -9.075 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.460 -0.686 -7.064 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.880 0.002 -10.013 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.932 -1.633 -10.715 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.117 -1.159 -9.474 1.00 0.00 H new ATOM 735 N HIS A 52 -3.243 -3.300 -6.298 1.00 0.00 N ATOM 736 CA HIS A 52 -2.180 -3.773 -5.427 1.00 0.00 C ATOM 737 C HIS A 52 -2.753 -4.756 -4.405 1.00 0.00 C ATOM 738 O HIS A 52 -3.938 -4.733 -4.070 1.00 0.00 O ATOM 739 CB HIS A 52 -1.448 -2.598 -4.775 1.00 0.00 C ATOM 740 CG HIS A 52 -0.745 -1.691 -5.757 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.399 -1.071 -6.807 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.561 -1.306 -5.836 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.517 -0.349 -7.481 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.698 -0.496 -6.879 1.00 0.00 N ATOM 0 H HIS A 52 -3.965 -2.751 -5.831 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.434 -4.308 -6.015 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.165 -2.010 -4.202 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.716 -2.987 -4.067 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.350 -1.609 -5.164 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.724 0.251 -8.355 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.568 -0.056 -7.180 1.00 0.00 H new ATOM 752 N LEU A 53 -1.879 -5.626 -3.912 1.00 0.00 N ATOM 753 CA LEU A 53 -2.270 -6.628 -2.927 1.00 0.00 C ATOM 754 C LEU A 53 -1.245 -6.714 -1.800 1.00 0.00 C ATOM 755 O LEU A 53 -0.095 -7.092 -2.022 1.00 0.00 O ATOM 756 CB LEU A 53 -2.425 -7.996 -3.595 1.00 0.00 C ATOM 757 CG LEU A 53 -2.415 -9.205 -2.659 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.465 -9.047 -1.571 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.646 -10.488 -3.444 1.00 0.00 C ATOM 0 H LEU A 53 -0.895 -5.658 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.227 -6.327 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.361 -8.002 -4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.621 -8.117 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.436 -9.264 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.443 -9.917 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.255 -8.149 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.451 -8.962 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.636 -11.338 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.612 -10.438 -3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.856 -10.608 -4.186 1.00 0.00 H new ATOM 771 N ILE A 54 -1.671 -6.361 -0.592 1.00 0.00 N ATOM 772 CA ILE A 54 -0.791 -6.401 0.569 1.00 0.00 C ATOM 773 C ILE A 54 -1.055 -7.641 1.416 1.00 0.00 C ATOM 774 O ILE A 54 -1.976 -7.664 2.233 1.00 0.00 O ATOM 775 CB ILE A 54 -0.961 -5.147 1.448 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.458 -3.907 0.708 1.00 0.00 C ATOM 777 CG2 ILE A 54 -0.222 -5.320 2.767 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.491 -3.289 -0.209 1.00 0.00 C ATOM 0 H ILE A 54 -2.620 -6.044 -0.392 1.00 0.00 H new ATOM 0 HA ILE A 54 0.230 -6.433 0.190 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.021 -5.013 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.140 -3.162 1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.421 -4.175 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.352 -4.426 3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.623 -6.183 3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.839 -5.475 2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.065 -2.414 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.792 -4.018 -0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.362 -2.989 0.374 1.00 0.00 H new ATOM 790 N VAL A 55 -0.239 -8.671 1.218 1.00 0.00 N ATOM 791 CA VAL A 55 -0.381 -9.915 1.965 1.00 0.00 C ATOM 792 C VAL A 55 0.636 -9.995 3.097 1.00 0.00 C ATOM 793 O VAL A 55 1.793 -9.607 2.934 1.00 0.00 O ATOM 794 CB VAL A 55 -0.212 -11.142 1.050 1.00 0.00 C ATOM 795 CG1 VAL A 55 1.091 -11.052 0.270 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.267 -12.426 1.865 1.00 0.00 C ATOM 0 H VAL A 55 0.528 -8.669 0.546 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.387 -9.920 2.384 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.035 -11.156 0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.193 -11.928 -0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.086 -10.152 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.929 -11.012 0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.146 -13.283 1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.534 -12.423 2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.229 -12.493 2.373 1.00 0.00 H new ATOM 806 N GLU A 56 0.197 -10.501 4.246 1.00 0.00 N ATOM 807 CA GLU A 56 1.071 -10.632 5.406 1.00 0.00 C ATOM 808 C GLU A 56 1.998 -11.834 5.256 1.00 0.00 C ATOM 809 O GLU A 56 1.626 -12.962 5.577 1.00 0.00 O ATOM 810 CB GLU A 56 0.240 -10.771 6.684 1.00 0.00 C ATOM 811 CG GLU A 56 1.064 -10.676 7.957 1.00 0.00 C ATOM 812 CD GLU A 56 0.214 -10.392 9.181 1.00 0.00 C ATOM 813 OE1 GLU A 56 -0.918 -10.914 9.253 1.00 0.00 O ATOM 814 OE2 GLU A 56 0.683 -9.646 10.067 1.00 0.00 O ATOM 0 H GLU A 56 -0.758 -10.826 4.398 1.00 0.00 H new ATOM 0 HA GLU A 56 1.681 -9.731 5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.525 -9.994 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.279 -11.729 6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.607 -11.610 8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.809 -9.888 7.846 1.00 0.00 H new ATOM 821 N GLU A 57 3.208 -11.583 4.765 1.00 0.00 N ATOM 822 CA GLU A 57 4.188 -12.645 4.571 1.00 0.00 C ATOM 823 C GLU A 57 4.640 -13.220 5.911 1.00 0.00 C ATOM 824 O GLU A 57 5.387 -14.196 5.959 1.00 0.00 O ATOM 825 CB GLU A 57 5.398 -12.117 3.796 1.00 0.00 C ATOM 826 CG GLU A 57 6.294 -11.204 4.616 1.00 0.00 C ATOM 827 CD GLU A 57 7.218 -11.970 5.542 1.00 0.00 C ATOM 828 OE1 GLU A 57 7.531 -13.139 5.235 1.00 0.00 O ATOM 829 OE2 GLU A 57 7.627 -11.400 6.575 1.00 0.00 O ATOM 0 H GLU A 57 3.532 -10.655 4.495 1.00 0.00 H new ATOM 0 HA GLU A 57 3.715 -13.440 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.986 -12.962 3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.048 -11.575 2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.890 -10.587 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.675 -10.527 5.205 1.00 0.00 H new ATOM 836 N ASN A 58 4.180 -12.606 6.996 1.00 0.00 N ATOM 837 CA ASN A 58 4.537 -13.056 8.337 1.00 0.00 C ATOM 838 C ASN A 58 3.700 -14.263 8.747 1.00 0.00 C ATOM 839 O ASN A 58 4.146 -15.109 9.522 1.00 0.00 O ATOM 840 CB ASN A 58 4.345 -11.921 9.346 1.00 0.00 C ATOM 841 CG ASN A 58 5.595 -11.078 9.512 1.00 0.00 C ATOM 842 OD1 ASN A 58 6.595 -11.533 10.068 1.00 0.00 O ATOM 843 ND2 ASN A 58 5.543 -9.842 9.030 1.00 0.00 N ATOM 0 H ASN A 58 3.560 -11.796 6.973 1.00 0.00 H new ATOM 0 HA ASN A 58 5.586 -13.351 8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.522 -11.285 9.021 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.062 -12.341 10.311 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.353 -9.228 9.113 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.693 -9.507 8.577 1.00 0.00 H new ATOM 850 N THR A 59 2.481 -14.337 8.221 1.00 0.00 N ATOM 851 CA THR A 59 1.580 -15.440 8.532 1.00 0.00 C ATOM 852 C THR A 59 1.009 -16.058 7.261 1.00 0.00 C ATOM 853 O THR A 59 0.300 -17.064 7.312 1.00 0.00 O ATOM 854 CB THR A 59 0.418 -14.979 9.432 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.312 -16.115 9.910 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.519 -14.051 8.673 1.00 0.00 C ATOM 0 H THR A 59 2.095 -13.646 7.578 1.00 0.00 H new ATOM 0 HA THR A 59 2.168 -16.188 9.064 1.00 0.00 H new ATOM 0 HB THR A 59 0.837 -14.434 10.278 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.363 -16.792 9.203 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.332 -13.739 9.329 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.033 -13.174 8.335 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.930 -14.575 7.810 1.00 0.00 H new ATOM 864 N VAL A 60 1.323 -15.452 6.120 1.00 0.00 N ATOM 865 CA VAL A 60 0.842 -15.945 4.835 1.00 0.00 C ATOM 866 C VAL A 60 1.982 -16.534 4.011 1.00 0.00 C ATOM 867 O VAL A 60 2.723 -15.808 3.348 1.00 0.00 O ATOM 868 CB VAL A 60 0.162 -14.826 4.024 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.414 -15.379 2.729 1.00 0.00 C ATOM 870 CG2 VAL A 60 -0.921 -14.150 4.852 1.00 0.00 C ATOM 0 H VAL A 60 1.908 -14.619 6.060 1.00 0.00 H new ATOM 0 HA VAL A 60 0.111 -16.725 5.048 1.00 0.00 H new ATOM 0 HB VAL A 60 0.913 -14.078 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.890 -14.574 2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.387 -15.812 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.152 -16.148 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.391 -13.362 4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.672 -14.886 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.477 -13.717 5.748 1.00 0.00 H new ATOM 880 N LYS A 61 2.116 -17.855 4.057 1.00 0.00 N ATOM 881 CA LYS A 61 3.164 -18.544 3.314 1.00 0.00 C ATOM 882 C LYS A 61 2.878 -18.515 1.816 1.00 0.00 C ATOM 883 O LYS A 61 3.770 -18.253 1.009 1.00 0.00 O ATOM 884 CB LYS A 61 3.289 -19.992 3.793 1.00 0.00 C ATOM 885 CG LYS A 61 3.437 -20.125 5.298 1.00 0.00 C ATOM 886 CD LYS A 61 4.892 -20.033 5.726 1.00 0.00 C ATOM 887 CE LYS A 61 5.021 -19.595 7.177 1.00 0.00 C ATOM 888 NZ LYS A 61 6.270 -20.110 7.803 1.00 0.00 N ATOM 0 H LYS A 61 1.511 -18.470 4.601 1.00 0.00 H new ATOM 0 HA LYS A 61 4.105 -18.025 3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.409 -20.549 3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.151 -20.452 3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.862 -19.342 5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.021 -21.079 5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.373 -21.002 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.417 -19.326 5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.010 -18.506 7.230 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.159 -19.950 7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.321 -19.790 8.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.269 -21.150 7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.094 -19.751 7.280 1.00 0.00 H new ATOM 902 N ASP A 62 1.629 -18.784 1.452 1.00 0.00 N ATOM 903 CA ASP A 62 1.225 -18.787 0.051 1.00 0.00 C ATOM 904 C ASP A 62 -0.203 -18.274 -0.104 1.00 0.00 C ATOM 905 O ASP A 62 -1.118 -18.737 0.580 1.00 0.00 O ATOM 906 CB ASP A 62 1.340 -20.196 -0.533 1.00 0.00 C ATOM 907 CG ASP A 62 0.909 -21.267 0.449 1.00 0.00 C ATOM 908 OD1 ASP A 62 -0.306 -21.371 0.717 1.00 0.00 O ATOM 909 OD2 ASP A 62 1.787 -22.000 0.951 1.00 0.00 O ATOM 0 H ASP A 62 0.879 -19.003 2.108 1.00 0.00 H new ATOM 0 HA ASP A 62 1.893 -18.121 -0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.728 -20.264 -1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.371 -20.378 -0.835 1.00 0.00 H new ATOM 914 N LEU A 63 -0.388 -17.315 -1.004 1.00 0.00 N ATOM 915 CA LEU A 63 -1.705 -16.738 -1.248 1.00 0.00 C ATOM 916 C LEU A 63 -2.750 -17.831 -1.449 1.00 0.00 C ATOM 917 O LEU A 63 -2.474 -18.892 -2.009 1.00 0.00 O ATOM 918 CB LEU A 63 -1.665 -15.824 -2.474 1.00 0.00 C ATOM 919 CG LEU A 63 -0.891 -14.515 -2.310 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.422 -14.000 -3.662 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.750 -13.473 -1.609 1.00 0.00 C ATOM 0 H LEU A 63 0.358 -16.920 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.984 -16.150 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.227 -16.380 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.690 -15.584 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.013 -14.708 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.127 -13.068 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.229 -14.740 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.285 -13.822 -4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.184 -12.548 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.646 -13.283 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.036 -13.841 -0.624 1.00 0.00 H new ATOM 933 N PRO A 64 -3.980 -17.567 -0.983 1.00 0.00 N ATOM 934 CA PRO A 64 -5.092 -18.515 -1.103 1.00 0.00 C ATOM 935 C PRO A 64 -5.565 -18.675 -2.543 1.00 0.00 C ATOM 936 O PRO A 64 -6.384 -19.544 -2.845 1.00 0.00 O ATOM 937 CB PRO A 64 -6.191 -17.882 -0.246 1.00 0.00 C ATOM 938 CG PRO A 64 -5.879 -16.425 -0.245 1.00 0.00 C ATOM 939 CD PRO A 64 -4.380 -16.323 -0.305 1.00 0.00 C ATOM 0 HA PRO A 64 -4.809 -19.518 -0.785 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.179 -18.075 -0.664 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.188 -18.288 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.339 -15.927 -1.099 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.267 -15.943 0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.059 -15.442 -0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.942 -16.249 0.690 1.00 0.00 H new ATOM 947 N PHE A 65 -5.045 -17.832 -3.429 1.00 0.00 N ATOM 948 CA PHE A 65 -5.415 -17.880 -4.839 1.00 0.00 C ATOM 949 C PHE A 65 -4.211 -17.581 -5.728 1.00 0.00 C ATOM 950 O PHE A 65 -3.111 -17.331 -5.236 1.00 0.00 O ATOM 951 CB PHE A 65 -6.537 -16.881 -5.128 1.00 0.00 C ATOM 952 CG PHE A 65 -6.064 -15.458 -5.215 1.00 0.00 C ATOM 953 CD1 PHE A 65 -5.705 -14.762 -4.073 1.00 0.00 C ATOM 954 CD2 PHE A 65 -5.980 -14.817 -6.441 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.270 -13.452 -4.150 1.00 0.00 C ATOM 956 CE2 PHE A 65 -5.545 -13.507 -6.524 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.191 -12.824 -5.378 1.00 0.00 C ATOM 0 H PHE A 65 -4.366 -17.107 -3.196 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.768 -18.887 -5.062 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.022 -17.152 -6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.292 -16.958 -4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.766 -15.248 -3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.257 -15.346 -7.341 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.992 -12.920 -3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.482 -13.018 -7.485 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.853 -11.800 -5.441 1.00 0.00 H new ATOM 967 N GLU A 66 -4.429 -17.611 -7.039 1.00 0.00 N ATOM 968 CA GLU A 66 -3.362 -17.344 -7.996 1.00 0.00 C ATOM 969 C GLU A 66 -3.652 -16.078 -8.796 1.00 0.00 C ATOM 970 O GLU A 66 -4.318 -16.106 -9.831 1.00 0.00 O ATOM 971 CB GLU A 66 -3.190 -18.532 -8.945 1.00 0.00 C ATOM 972 CG GLU A 66 -2.190 -19.565 -8.454 1.00 0.00 C ATOM 973 CD GLU A 66 -0.777 -19.281 -8.927 1.00 0.00 C ATOM 974 OE1 GLU A 66 -0.190 -18.276 -8.475 1.00 0.00 O ATOM 975 OE2 GLU A 66 -0.260 -20.064 -9.750 1.00 0.00 O ATOM 0 H GLU A 66 -5.334 -17.817 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.437 -17.196 -7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.157 -19.014 -9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.870 -18.164 -9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.206 -19.591 -7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.494 -20.553 -8.801 1.00 0.00 H new ATOM 982 N PRO A 67 -3.141 -14.939 -8.305 1.00 0.00 N ATOM 983 CA PRO A 67 -3.332 -13.640 -8.957 1.00 0.00 C ATOM 984 C PRO A 67 -2.565 -13.533 -10.271 1.00 0.00 C ATOM 985 O PRO A 67 -1.727 -14.379 -10.582 1.00 0.00 O ATOM 986 CB PRO A 67 -2.781 -12.644 -7.934 1.00 0.00 C ATOM 987 CG PRO A 67 -1.799 -13.428 -7.133 1.00 0.00 C ATOM 988 CD PRO A 67 -2.338 -14.831 -7.076 1.00 0.00 C ATOM 0 HA PRO A 67 -4.375 -13.467 -9.221 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.304 -11.796 -8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.575 -12.243 -7.304 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.812 -13.407 -7.596 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.690 -13.011 -6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.536 -15.569 -7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.944 -14.993 -6.185 1.00 0.00 H new ATOM 996 N SER A 68 -2.857 -12.487 -11.038 1.00 0.00 N ATOM 997 CA SER A 68 -2.197 -12.271 -12.320 1.00 0.00 C ATOM 998 C SER A 68 -1.134 -11.182 -12.207 1.00 0.00 C ATOM 999 O SER A 68 -1.212 -10.309 -11.343 1.00 0.00 O ATOM 1000 CB SER A 68 -3.223 -11.890 -13.388 1.00 0.00 C ATOM 1001 OG SER A 68 -4.003 -13.010 -13.769 1.00 0.00 O ATOM 0 H SER A 68 -3.546 -11.776 -10.794 1.00 0.00 H new ATOM 0 HA SER A 68 -1.709 -13.201 -12.611 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.873 -11.103 -13.007 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.711 -11.486 -14.261 1.00 0.00 H new ATOM 0 HG SER A 68 -4.833 -12.703 -14.189 1.00 0.00 H new ATOM 1007 N LYS A 69 -0.140 -11.241 -13.088 1.00 0.00 N ATOM 1008 CA LYS A 69 0.939 -10.260 -13.090 1.00 0.00 C ATOM 1009 C LYS A 69 0.394 -8.851 -12.884 1.00 0.00 C ATOM 1010 O LYS A 69 0.961 -8.059 -12.131 1.00 0.00 O ATOM 1011 CB LYS A 69 1.716 -10.330 -14.407 1.00 0.00 C ATOM 1012 CG LYS A 69 2.943 -9.436 -14.437 1.00 0.00 C ATOM 1013 CD LYS A 69 4.014 -9.989 -15.363 1.00 0.00 C ATOM 1014 CE LYS A 69 3.709 -9.673 -16.819 1.00 0.00 C ATOM 1015 NZ LYS A 69 4.280 -10.695 -17.739 1.00 0.00 N ATOM 0 H LYS A 69 -0.060 -11.958 -13.809 1.00 0.00 H new ATOM 0 HA LYS A 69 1.611 -10.494 -12.265 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.023 -11.361 -14.584 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.053 -10.050 -15.226 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.658 -8.436 -14.765 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.347 -9.338 -13.430 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.983 -9.568 -15.093 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.088 -11.069 -15.232 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.630 -9.619 -16.961 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.113 -8.692 -17.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.051 -10.444 -18.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.313 -10.729 -17.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.876 -11.627 -17.516 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.710 -8.544 -13.556 1.00 0.00 N ATOM 1030 CA LYS A 70 -1.335 -7.231 -13.445 1.00 0.00 C ATOM 1031 C LYS A 70 -1.386 -6.774 -11.990 1.00 0.00 C ATOM 1032 O LYS A 70 -1.054 -5.631 -11.676 1.00 0.00 O ATOM 1033 CB LYS A 70 -2.748 -7.264 -14.030 1.00 0.00 C ATOM 1034 CG LYS A 70 -3.540 -8.500 -13.639 1.00 0.00 C ATOM 1035 CD LYS A 70 -4.947 -8.466 -14.212 1.00 0.00 C ATOM 1036 CE LYS A 70 -4.980 -8.989 -15.639 1.00 0.00 C ATOM 1037 NZ LYS A 70 -5.216 -10.459 -15.686 1.00 0.00 N ATOM 0 H LYS A 70 -1.191 -9.188 -14.184 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.732 -6.521 -14.010 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.289 -6.377 -13.701 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.683 -7.213 -15.117 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.023 -9.392 -13.994 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.590 -8.572 -12.553 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.610 -9.066 -13.588 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.326 -7.444 -14.189 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.765 -8.477 -16.195 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.036 -8.757 -16.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.414 -10.925 -16.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.311 -10.827 -14.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.089 -10.654 -16.217 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.803 -7.675 -11.107 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.896 -7.365 -9.684 1.00 0.00 C ATOM 1053 C LEU A 71 -0.549 -7.559 -8.996 1.00 0.00 C ATOM 1054 O LEU A 71 0.001 -8.660 -8.983 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.954 -8.247 -9.018 1.00 0.00 C ATOM 1056 CG LEU A 71 -3.115 -8.076 -7.508 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.787 -6.749 -7.189 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.912 -9.233 -6.923 1.00 0.00 C ATOM 0 H LEU A 71 -2.082 -8.625 -11.351 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.188 -6.320 -9.583 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.915 -8.047 -9.491 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.710 -9.290 -9.222 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.124 -8.076 -7.054 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.893 -6.645 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.178 -5.931 -7.574 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.772 -6.719 -7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.017 -9.095 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.900 -9.264 -7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.391 -10.170 -7.120 1.00 0.00 H new ATOM 1070 N PHE A 72 -0.024 -6.481 -8.421 1.00 0.00 N ATOM 1071 CA PHE A 72 1.259 -6.533 -7.728 1.00 0.00 C ATOM 1072 C PHE A 72 1.067 -6.876 -6.254 1.00 0.00 C ATOM 1073 O PHE A 72 0.159 -6.364 -5.599 1.00 0.00 O ATOM 1074 CB PHE A 72 1.988 -5.194 -7.862 1.00 0.00 C ATOM 1075 CG PHE A 72 2.454 -4.902 -9.259 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.628 -5.459 -9.743 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.720 -4.072 -10.090 1.00 0.00 C ATOM 1078 CE1 PHE A 72 4.059 -5.191 -11.028 1.00 0.00 C ATOM 1079 CE2 PHE A 72 2.146 -3.801 -11.376 1.00 0.00 C ATOM 1080 CZ PHE A 72 3.317 -4.362 -11.846 1.00 0.00 C ATOM 0 H PHE A 72 -0.467 -5.562 -8.421 1.00 0.00 H new ATOM 0 HA PHE A 72 1.862 -7.315 -8.189 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.324 -4.394 -7.534 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.848 -5.189 -7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.212 -6.109 -9.109 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.803 -3.631 -9.728 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.976 -5.630 -11.393 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.564 -3.151 -12.013 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.652 -4.153 -12.851 1.00 0.00 H new ATOM 1090 N VAL A 73 1.929 -7.747 -5.738 1.00 0.00 N ATOM 1091 CA VAL A 73 1.856 -8.159 -4.342 1.00 0.00 C ATOM 1092 C VAL A 73 3.040 -7.620 -3.547 1.00 0.00 C ATOM 1093 O VAL A 73 4.154 -7.523 -4.061 1.00 0.00 O ATOM 1094 CB VAL A 73 1.820 -9.693 -4.211 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.017 -10.308 -5.347 1.00 0.00 C ATOM 1096 CG2 VAL A 73 3.232 -10.258 -4.177 1.00 0.00 C ATOM 0 H VAL A 73 2.686 -8.181 -6.267 1.00 0.00 H new ATOM 0 HA VAL A 73 0.932 -7.745 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 73 1.329 -9.949 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.003 -11.392 -5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.004 -9.927 -5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.476 -10.046 -6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.188 -11.343 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.752 -9.994 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.770 -9.843 -3.325 1.00 0.00 H new ATOM 1106 N VAL A 74 2.791 -7.269 -2.289 1.00 0.00 N ATOM 1107 CA VAL A 74 3.837 -6.741 -1.422 1.00 0.00 C ATOM 1108 C VAL A 74 3.563 -7.081 0.039 1.00 0.00 C ATOM 1109 O VAL A 74 2.486 -7.568 0.384 1.00 0.00 O ATOM 1110 CB VAL A 74 3.967 -5.213 -1.566 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.408 -4.845 -2.975 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.653 -4.531 -1.215 1.00 0.00 C ATOM 0 H VAL A 74 1.874 -7.341 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 74 4.771 -7.209 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 74 4.729 -4.863 -0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.494 -3.762 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.374 -5.303 -3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.671 -5.206 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.763 -3.452 -1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.869 -4.884 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.384 -4.768 -0.186 1.00 0.00 H new ATOM 1122 N LYS A 75 4.545 -6.820 0.895 1.00 0.00 N ATOM 1123 CA LYS A 75 4.411 -7.097 2.321 1.00 0.00 C ATOM 1124 C LYS A 75 3.570 -6.024 3.006 1.00 0.00 C ATOM 1125 O LYS A 75 3.228 -5.010 2.399 1.00 0.00 O ATOM 1126 CB LYS A 75 5.791 -7.174 2.978 1.00 0.00 C ATOM 1127 CG LYS A 75 6.758 -8.096 2.255 1.00 0.00 C ATOM 1128 CD LYS A 75 8.197 -7.636 2.420 1.00 0.00 C ATOM 1129 CE LYS A 75 9.136 -8.403 1.503 1.00 0.00 C ATOM 1130 NZ LYS A 75 9.670 -9.630 2.156 1.00 0.00 N ATOM 0 H LYS A 75 5.443 -6.417 0.626 1.00 0.00 H new ATOM 0 HA LYS A 75 3.907 -8.057 2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.220 -6.173 3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.676 -7.516 4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.653 -9.110 2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.505 -8.131 1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.266 -6.570 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.507 -7.772 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.608 -8.678 0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.964 -7.758 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.306 -10.125 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.196 -9.366 3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.882 -10.258 2.413 1.00 0.00 H new ATOM 1144 N GLN A 76 3.241 -6.256 4.273 1.00 0.00 N ATOM 1145 CA GLN A 76 2.441 -5.309 5.039 1.00 0.00 C ATOM 1146 C GLN A 76 3.167 -3.976 5.187 1.00 0.00 C ATOM 1147 O GLN A 76 2.564 -2.912 5.056 1.00 0.00 O ATOM 1148 CB GLN A 76 2.117 -5.882 6.420 1.00 0.00 C ATOM 1149 CG GLN A 76 3.328 -5.991 7.332 1.00 0.00 C ATOM 1150 CD GLN A 76 4.395 -6.916 6.779 1.00 0.00 C ATOM 1151 OE1 GLN A 76 5.579 -6.580 6.769 1.00 0.00 O ATOM 1152 NE2 GLN A 76 3.979 -8.088 6.314 1.00 0.00 N ATOM 0 H GLN A 76 3.516 -7.091 4.790 1.00 0.00 H new ATOM 0 HA GLN A 76 1.511 -5.137 4.497 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.367 -5.252 6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.673 -6.870 6.299 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.755 -4.999 7.483 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.010 -6.353 8.310 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.987 -8.325 6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.651 -8.751 5.929 1.00 0.00 H new ATOM 1161 N GLU A 77 4.467 -4.043 5.460 1.00 0.00 N ATOM 1162 CA GLU A 77 5.275 -2.841 5.626 1.00 0.00 C ATOM 1163 C GLU A 77 4.902 -1.787 4.588 1.00 0.00 C ATOM 1164 O GLU A 77 4.538 -0.662 4.932 1.00 0.00 O ATOM 1165 CB GLU A 77 6.763 -3.179 5.513 1.00 0.00 C ATOM 1166 CG GLU A 77 7.660 -2.256 6.320 1.00 0.00 C ATOM 1167 CD GLU A 77 7.404 -2.351 7.812 1.00 0.00 C ATOM 1168 OE1 GLU A 77 7.825 -3.354 8.424 1.00 0.00 O ATOM 1169 OE2 GLU A 77 6.782 -1.421 8.367 1.00 0.00 O ATOM 0 H GLU A 77 4.982 -4.916 5.571 1.00 0.00 H new ATOM 0 HA GLU A 77 5.076 -2.436 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.920 -4.205 5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.059 -3.134 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.703 -2.501 6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.505 -1.228 5.993 1.00 0.00 H new ATOM 1176 N TRP A 78 4.995 -2.159 3.316 1.00 0.00 N ATOM 1177 CA TRP A 78 4.668 -1.246 2.227 1.00 0.00 C ATOM 1178 C TRP A 78 3.507 -0.335 2.610 1.00 0.00 C ATOM 1179 O TRP A 78 3.670 0.881 2.720 1.00 0.00 O ATOM 1180 CB TRP A 78 4.319 -2.032 0.962 1.00 0.00 C ATOM 1181 CG TRP A 78 4.227 -1.175 -0.264 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.224 -0.918 -1.161 1.00 0.00 C ATOM 1183 CD2 TRP A 78 3.075 -0.462 -0.726 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.761 -0.087 -2.153 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.445 0.206 -1.910 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.765 -0.325 -0.257 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.554 0.999 -2.627 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.882 0.463 -0.970 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.279 1.116 -2.145 1.00 0.00 C ATOM 0 H TRP A 78 5.294 -3.086 3.014 1.00 0.00 H new ATOM 0 HA TRP A 78 5.543 -0.626 2.032 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.073 -2.802 0.802 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.368 -2.543 1.111 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.228 -1.310 -1.100 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.309 0.256 -2.942 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.449 -0.826 0.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.858 1.504 -3.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.132 0.578 -0.616 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.564 1.723 -2.680 1.00 0.00 H new ATOM 1200 N PHE A 79 2.336 -0.929 2.812 1.00 0.00 N ATOM 1201 CA PHE A 79 1.147 -0.169 3.183 1.00 0.00 C ATOM 1202 C PHE A 79 1.466 0.837 4.285 1.00 0.00 C ATOM 1203 O PHE A 79 1.159 2.023 4.165 1.00 0.00 O ATOM 1204 CB PHE A 79 0.036 -1.114 3.645 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.152 -0.403 4.227 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -2.039 0.277 3.408 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.382 -0.415 5.593 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -3.132 0.933 3.942 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.474 0.239 6.133 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.351 0.913 5.305 1.00 0.00 C ATOM 0 H PHE A 79 2.184 -1.934 2.725 1.00 0.00 H new ATOM 0 HA PHE A 79 0.807 0.378 2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.291 -1.719 2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.440 -1.800 4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.874 0.295 2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.700 -0.942 6.244 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.815 1.461 3.293 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.641 0.223 7.200 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.206 1.423 5.723 1.00 0.00 H new ATOM 1220 N TRP A 80 2.083 0.354 5.357 1.00 0.00 N ATOM 1221 CA TRP A 80 2.444 1.210 6.481 1.00 0.00 C ATOM 1222 C TRP A 80 3.305 2.380 6.020 1.00 0.00 C ATOM 1223 O TRP A 80 3.011 3.536 6.321 1.00 0.00 O ATOM 1224 CB TRP A 80 3.187 0.402 7.547 1.00 0.00 C ATOM 1225 CG TRP A 80 2.299 -0.533 8.310 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.472 -1.878 8.472 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.099 -0.193 9.013 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.451 -2.395 9.234 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.596 -1.381 9.578 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.401 0.999 9.221 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.571 -1.409 10.336 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.758 0.970 9.973 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.235 -0.227 10.524 1.00 0.00 C ATOM 0 H TRP A 80 2.344 -0.625 5.472 1.00 0.00 H new ATOM 0 HA TRP A 80 1.525 1.608 6.912 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.982 -0.171 7.070 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.665 1.089 8.246 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.290 -2.451 8.062 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.347 -3.374 9.500 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.761 1.927 8.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.940 -2.331 10.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.306 1.886 10.139 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.144 -0.217 11.108 1.00 0.00 H new ATOM 1244 N GLY A 81 4.371 2.073 5.288 1.00 0.00 N ATOM 1245 CA GLY A 81 5.259 3.111 4.797 1.00 0.00 C ATOM 1246 C GLY A 81 4.539 4.130 3.937 1.00 0.00 C ATOM 1247 O GLY A 81 4.371 5.282 4.337 1.00 0.00 O ATOM 0 H GLY A 81 4.636 1.124 5.026 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.724 3.617 5.643 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.062 2.654 4.219 1.00 0.00 H new ATOM 1251 N SER A 82 4.114 3.707 2.751 1.00 0.00 N ATOM 1252 CA SER A 82 3.413 4.593 1.829 1.00 0.00 C ATOM 1253 C SER A 82 2.539 5.586 2.590 1.00 0.00 C ATOM 1254 O SER A 82 2.358 6.726 2.160 1.00 0.00 O ATOM 1255 CB SER A 82 2.554 3.779 0.860 1.00 0.00 C ATOM 1256 OG SER A 82 3.352 3.166 -0.137 1.00 0.00 O ATOM 0 H SER A 82 4.243 2.756 2.406 1.00 0.00 H new ATOM 0 HA SER A 82 4.158 5.151 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.004 3.016 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.815 4.428 0.390 1.00 0.00 H new ATOM 0 HG SER A 82 2.793 2.581 -0.690 1.00 0.00 H new ATOM 1262 N ILE A 83 2.000 5.145 3.721 1.00 0.00 N ATOM 1263 CA ILE A 83 1.147 5.995 4.542 1.00 0.00 C ATOM 1264 C ILE A 83 1.977 6.932 5.413 1.00 0.00 C ATOM 1265 O ILE A 83 1.782 8.146 5.396 1.00 0.00 O ATOM 1266 CB ILE A 83 0.221 5.158 5.445 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.641 4.220 4.599 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.653 6.068 6.295 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -1.184 3.038 5.372 1.00 0.00 C ATOM 0 H ILE A 83 2.139 4.204 4.090 1.00 0.00 H new ATOM 0 HA ILE A 83 0.538 6.585 3.857 1.00 0.00 H new ATOM 0 HB ILE A 83 0.837 4.553 6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.474 4.784 4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.050 3.854 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.302 5.462 6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.021 6.698 6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.263 6.696 5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.786 2.416 4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.356 2.451 5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.802 3.395 6.196 1.00 0.00 H new ATOM 1281 N GLN A 84 2.906 6.358 6.171 1.00 0.00 N ATOM 1282 CA GLN A 84 3.767 7.142 7.048 1.00 0.00 C ATOM 1283 C GLN A 84 4.454 8.263 6.275 1.00 0.00 C ATOM 1284 O GLN A 84 4.478 9.411 6.718 1.00 0.00 O ATOM 1285 CB GLN A 84 4.816 6.243 7.705 1.00 0.00 C ATOM 1286 CG GLN A 84 5.265 6.731 9.073 1.00 0.00 C ATOM 1287 CD GLN A 84 4.223 6.495 10.148 1.00 0.00 C ATOM 1288 OE1 GLN A 84 3.044 6.296 9.853 1.00 0.00 O ATOM 1289 NE2 GLN A 84 4.652 6.516 11.404 1.00 0.00 N ATOM 0 H GLN A 84 3.081 5.353 6.195 1.00 0.00 H new ATOM 0 HA GLN A 84 3.144 7.588 7.823 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.410 5.236 7.803 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.685 6.174 7.050 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.189 6.223 9.350 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.490 7.796 9.019 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.638 6.685 11.603 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.996 6.364 12.170 1.00 0.00 H new ATOM 1298 N MET A 85 5.012 7.922 5.118 1.00 0.00 N ATOM 1299 CA MET A 85 5.699 8.901 4.284 1.00 0.00 C ATOM 1300 C MET A 85 4.727 9.569 3.317 1.00 0.00 C ATOM 1301 O MET A 85 5.086 10.514 2.615 1.00 0.00 O ATOM 1302 CB MET A 85 6.833 8.232 3.504 1.00 0.00 C ATOM 1303 CG MET A 85 6.365 7.103 2.600 1.00 0.00 C ATOM 1304 SD MET A 85 7.554 6.715 1.301 1.00 0.00 S ATOM 1305 CE MET A 85 7.062 5.046 0.878 1.00 0.00 C ATOM 0 H MET A 85 5.002 6.976 4.737 1.00 0.00 H new ATOM 0 HA MET A 85 6.119 9.667 4.937 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.340 8.984 2.900 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.567 7.842 4.209 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.186 6.212 3.201 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.413 7.377 2.146 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.917 4.377 0.981 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.265 4.721 1.546 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.705 5.022 -0.152 1.00 0.00 H new ATOM 1315 N ASP A 86 3.496 9.071 3.285 1.00 0.00 N ATOM 1316 CA ASP A 86 2.471 9.620 2.405 1.00 0.00 C ATOM 1317 C ASP A 86 2.959 9.657 0.960 1.00 0.00 C ATOM 1318 O ASP A 86 2.730 10.630 0.241 1.00 0.00 O ATOM 1319 CB ASP A 86 2.079 11.027 2.859 1.00 0.00 C ATOM 1320 CG ASP A 86 1.161 11.011 4.066 1.00 0.00 C ATOM 1321 OD1 ASP A 86 1.606 10.561 5.142 1.00 0.00 O ATOM 1322 OD2 ASP A 86 -0.002 11.447 3.933 1.00 0.00 O ATOM 0 H ASP A 86 3.183 8.288 3.859 1.00 0.00 H new ATOM 0 HA ASP A 86 1.596 8.972 2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.980 11.592 3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.585 11.546 2.038 1.00 0.00 H new ATOM 1327 N ALA A 87 3.634 8.591 0.541 1.00 0.00 N ATOM 1328 CA ALA A 87 4.153 8.501 -0.818 1.00 0.00 C ATOM 1329 C ALA A 87 4.193 7.053 -1.296 1.00 0.00 C ATOM 1330 O ALA A 87 4.731 6.180 -0.615 1.00 0.00 O ATOM 1331 CB ALA A 87 5.540 9.123 -0.895 1.00 0.00 C ATOM 0 H ALA A 87 3.834 7.778 1.124 1.00 0.00 H new ATOM 0 HA ALA A 87 3.481 9.054 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.916 9.049 -1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.485 10.172 -0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.214 8.594 -0.221 1.00 0.00 H new ATOM 1337 N ARG A 88 3.620 6.806 -2.469 1.00 0.00 N ATOM 1338 CA ARG A 88 3.588 5.464 -3.036 1.00 0.00 C ATOM 1339 C ARG A 88 5.002 4.924 -3.234 1.00 0.00 C ATOM 1340 O ARG A 88 5.756 5.423 -4.068 1.00 0.00 O ATOM 1341 CB ARG A 88 2.841 5.468 -4.371 1.00 0.00 C ATOM 1342 CG ARG A 88 2.589 4.078 -4.933 1.00 0.00 C ATOM 1343 CD ARG A 88 1.347 4.049 -5.809 1.00 0.00 C ATOM 1344 NE ARG A 88 1.446 3.045 -6.865 1.00 0.00 N ATOM 1345 CZ ARG A 88 2.236 3.170 -7.926 1.00 0.00 C ATOM 1346 NH1 ARG A 88 2.991 4.250 -8.071 1.00 0.00 N ATOM 1347 NH2 ARG A 88 2.271 2.213 -8.845 1.00 0.00 N ATOM 0 H ARG A 88 3.171 7.518 -3.045 1.00 0.00 H new ATOM 0 HA ARG A 88 3.063 4.814 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.886 5.977 -4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.414 6.045 -5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.453 3.757 -5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.475 3.368 -4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.473 3.841 -5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.195 5.032 -6.256 1.00 0.00 H new ATOM 0 HE ARG A 88 0.878 2.202 -6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.966 4.988 -7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.597 4.343 -8.887 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.691 1.381 -8.737 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.878 2.310 -9.659 1.00 0.00 H new ATOM 1361 N ALA A 89 5.353 3.902 -2.461 1.00 0.00 N ATOM 1362 CA ALA A 89 6.675 3.293 -2.552 1.00 0.00 C ATOM 1363 C ALA A 89 6.728 2.262 -3.675 1.00 0.00 C ATOM 1364 O ALA A 89 5.694 1.802 -4.158 1.00 0.00 O ATOM 1365 CB ALA A 89 7.053 2.652 -1.226 1.00 0.00 C ATOM 0 H ALA A 89 4.740 3.478 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 89 7.395 4.079 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.042 2.201 -1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.065 3.412 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.324 1.883 -0.973 1.00 0.00 H new ATOM 1371 N GLY A 90 7.941 1.904 -4.086 1.00 0.00 N ATOM 1372 CA GLY A 90 8.106 0.930 -5.149 1.00 0.00 C ATOM 1373 C GLY A 90 7.876 -0.491 -4.675 1.00 0.00 C ATOM 1374 O GLY A 90 8.483 -0.931 -3.699 1.00 0.00 O ATOM 0 H GLY A 90 8.812 2.271 -3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.410 1.157 -5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.112 1.014 -5.561 1.00 0.00 H new ATOM 1378 N GLU A 91 6.996 -1.209 -5.366 1.00 0.00 N ATOM 1379 CA GLU A 91 6.687 -2.588 -5.007 1.00 0.00 C ATOM 1380 C GLU A 91 7.947 -3.449 -5.017 1.00 0.00 C ATOM 1381 O GLU A 91 8.102 -4.354 -4.196 1.00 0.00 O ATOM 1382 CB GLU A 91 5.652 -3.170 -5.972 1.00 0.00 C ATOM 1383 CG GLU A 91 4.357 -2.376 -6.027 1.00 0.00 C ATOM 1384 CD GLU A 91 3.433 -2.686 -4.866 1.00 0.00 C ATOM 1385 OE1 GLU A 91 2.608 -3.615 -4.996 1.00 0.00 O ATOM 1386 OE2 GLU A 91 3.534 -2.001 -3.827 1.00 0.00 O ATOM 0 H GLU A 91 6.485 -0.859 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 91 6.275 -2.589 -3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.084 -3.214 -6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.428 -4.195 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.588 -1.311 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.843 -2.592 -6.963 1.00 0.00 H new ATOM 1393 N THR A 92 8.847 -3.160 -5.953 1.00 0.00 N ATOM 1394 CA THR A 92 10.092 -3.907 -6.072 1.00 0.00 C ATOM 1395 C THR A 92 10.912 -3.817 -4.790 1.00 0.00 C ATOM 1396 O THR A 92 11.900 -4.531 -4.623 1.00 0.00 O ATOM 1397 CB THR A 92 10.944 -3.396 -7.249 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.112 -3.168 -8.392 1.00 0.00 O ATOM 1399 CG2 THR A 92 12.036 -4.395 -7.601 1.00 0.00 C ATOM 0 H THR A 92 8.736 -2.414 -6.639 1.00 0.00 H new ATOM 0 HA THR A 92 9.820 -4.947 -6.254 1.00 0.00 H new ATOM 0 HB THR A 92 11.414 -2.459 -6.949 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.660 -2.842 -9.136 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.624 -4.012 -8.435 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.684 -4.544 -6.738 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.583 -5.345 -7.883 1.00 0.00 H new ATOM 1407 N MET A 93 10.495 -2.936 -3.887 1.00 0.00 N ATOM 1408 CA MET A 93 11.191 -2.755 -2.618 1.00 0.00 C ATOM 1409 C MET A 93 10.507 -3.542 -1.505 1.00 0.00 C ATOM 1410 O MET A 93 11.064 -3.714 -0.421 1.00 0.00 O ATOM 1411 CB MET A 93 11.245 -1.271 -2.249 1.00 0.00 C ATOM 1412 CG MET A 93 12.126 -0.447 -3.174 1.00 0.00 C ATOM 1413 SD MET A 93 12.691 1.087 -2.412 1.00 0.00 S ATOM 1414 CE MET A 93 11.747 2.294 -3.339 1.00 0.00 C ATOM 0 H MET A 93 9.679 -2.336 -4.010 1.00 0.00 H new ATOM 0 HA MET A 93 12.207 -3.131 -2.733 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.234 -0.864 -2.265 1.00 0.00 H new ATOM 0 HB3 MET A 93 11.612 -1.172 -1.227 1.00 0.00 H new ATOM 0 HG2 MET A 93 12.991 -1.041 -3.470 1.00 0.00 H new ATOM 0 HG3 MET A 93 11.573 -0.214 -4.084 1.00 0.00 H new ATOM 0 HE1 MET A 93 11.444 3.105 -2.677 1.00 0.00 H new ATOM 0 HE2 MET A 93 12.361 2.694 -4.146 1.00 0.00 H new ATOM 0 HE3 MET A 93 10.861 1.818 -3.759 1.00 0.00 H new ATOM 1424 N TYR A 94 9.298 -4.019 -1.781 1.00 0.00 N ATOM 1425 CA TYR A 94 8.537 -4.786 -0.802 1.00 0.00 C ATOM 1426 C TYR A 94 7.914 -6.022 -1.444 1.00 0.00 C ATOM 1427 O TYR A 94 7.066 -6.686 -0.846 1.00 0.00 O ATOM 1428 CB TYR A 94 7.445 -3.916 -0.178 1.00 0.00 C ATOM 1429 CG TYR A 94 7.970 -2.650 0.461 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.494 -1.623 -0.313 1.00 0.00 C ATOM 1431 CD2 TYR A 94 7.944 -2.483 1.840 1.00 0.00 C ATOM 1432 CE1 TYR A 94 8.975 -0.465 0.267 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.422 -1.328 2.429 1.00 0.00 C ATOM 1434 CZ TYR A 94 8.937 -0.322 1.638 1.00 0.00 C ATOM 1435 OH TYR A 94 9.415 0.829 2.221 1.00 0.00 O ATOM 0 H TYR A 94 8.824 -3.888 -2.675 1.00 0.00 H new ATOM 0 HA TYR A 94 9.223 -5.112 -0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.720 -3.651 -0.947 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.913 -4.499 0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.526 -1.731 -1.387 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.543 -3.269 2.462 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.379 0.324 -0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.393 -1.214 3.503 1.00 0.00 H new ATOM 0 HH TYR A 94 9.314 0.769 3.194 1.00 0.00 H new ATOM 1445 N LEU A 95 8.341 -6.326 -2.664 1.00 0.00 N ATOM 1446 CA LEU A 95 7.827 -7.483 -3.389 1.00 0.00 C ATOM 1447 C LEU A 95 7.890 -8.738 -2.525 1.00 0.00 C ATOM 1448 O LEU A 95 8.971 -9.191 -2.148 1.00 0.00 O ATOM 1449 CB LEU A 95 8.622 -7.696 -4.678 1.00 0.00 C ATOM 1450 CG LEU A 95 8.096 -6.974 -5.919 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.940 -7.320 -7.136 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.636 -7.325 -6.162 1.00 0.00 C ATOM 0 H LEU A 95 9.042 -5.787 -3.173 1.00 0.00 H new ATOM 0 HA LEU A 95 6.784 -7.290 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.649 -7.376 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.652 -8.765 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 95 8.166 -5.900 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.551 -6.797 -8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.972 -7.016 -6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.903 -8.395 -7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.279 -6.802 -7.049 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.540 -8.400 -6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.041 -7.024 -5.300 1.00 0.00 H new ATOM 1464 N TYR A 96 6.725 -9.297 -2.217 1.00 0.00 N ATOM 1465 CA TYR A 96 6.647 -10.500 -1.397 1.00 0.00 C ATOM 1466 C TYR A 96 6.855 -11.751 -2.245 1.00 0.00 C ATOM 1467 O TYR A 96 6.047 -12.062 -3.120 1.00 0.00 O ATOM 1468 CB TYR A 96 5.295 -10.572 -0.686 1.00 0.00 C ATOM 1469 CG TYR A 96 4.917 -11.967 -0.241 1.00 0.00 C ATOM 1470 CD1 TYR A 96 5.681 -12.647 0.699 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.799 -12.604 -0.762 1.00 0.00 C ATOM 1472 CE1 TYR A 96 5.341 -13.922 1.108 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.450 -13.879 -0.359 1.00 0.00 C ATOM 1474 CZ TYR A 96 4.224 -14.534 0.576 1.00 0.00 C ATOM 1475 OH TYR A 96 3.881 -15.803 0.980 1.00 0.00 O ATOM 0 H TYR A 96 5.821 -8.936 -2.523 1.00 0.00 H new ATOM 0 HA TYR A 96 7.440 -10.452 -0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.316 -9.916 0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.522 -10.191 -1.354 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.556 -12.171 1.117 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.191 -12.094 -1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.946 -14.437 1.840 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.576 -14.360 -0.774 1.00 0.00 H new ATOM 0 HH TYR A 96 3.193 -15.750 1.676 1.00 0.00 H new