USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 593 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 79 GLN : amide:sc= 0 X(o=-0.33,f=-0.33) USER MOD Set 1.2: A 81 CYS SG : rot 180:sc= -0.326 USER MOD Single : A 8 ASN : amide:sc= -1.7 K(o=-1.7,f=-0.45) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.231 K(o=-0.23,f=-2.9!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 5:sc= 0.738! USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.0203 USER MOD Single : A 40 SER OG : rot -56:sc= -0.588 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.479 K(o=-0.48,f=-2.4!) USER MOD Single : A 48 CYS SG : rot 28:sc= 0.0873 USER MOD Single : A 61 THR OG1 : rot 70:sc= 0.469 USER MOD Single : A 63 SER OG : rot -48:sc= 0.27 USER MOD Single : A 64 MET CE :methyl -152:sc= -13.3! (180deg=-14.4!) USER MOD Single : A 65 THR OG1 : rot -66:sc= 0.218 USER MOD Single : A 66 HIS : no HE2:sc= -4.72! C(o=-4.7!,f=-5.4!) USER MOD Single : A 70 GLN : amide:sc= -8.92! C(o=-8.9!,f=-7.4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -14.634 2.707 -3.285 1.00 0.00 N ATOM 60 CA GLY A 7 -14.002 1.892 -4.306 1.00 0.00 C ATOM 61 C GLY A 7 -13.084 0.838 -3.721 1.00 0.00 C ATOM 62 O GLY A 7 -11.906 1.096 -3.479 1.00 0.00 O ATOM 0 HA2 GLY A 7 -14.771 1.406 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.432 2.534 -4.977 1.00 0.00 H new ATOM 66 N ASN A 8 -13.626 -0.354 -3.490 1.00 0.00 N ATOM 67 CA ASN A 8 -12.848 -1.451 -2.926 1.00 0.00 C ATOM 68 C ASN A 8 -11.887 -2.025 -3.963 1.00 0.00 C ATOM 69 O ASN A 8 -12.250 -2.215 -5.124 1.00 0.00 O ATOM 70 CB ASN A 8 -13.777 -2.552 -2.411 1.00 0.00 C ATOM 71 CG ASN A 8 -14.561 -3.216 -3.527 1.00 0.00 C ATOM 72 OD1 ASN A 8 -15.743 -2.933 -3.725 1.00 0.00 O ATOM 73 ND2 ASN A 8 -13.904 -4.104 -4.264 1.00 0.00 N ATOM 0 H ASN A 8 -14.600 -0.584 -3.685 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.265 -1.059 -2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -13.188 -3.305 -1.887 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.471 -2.128 -1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.379 -4.582 -5.030 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.925 -4.308 -4.064 1.00 0.00 H new ATOM 80 N VAL A 9 -10.659 -2.301 -3.535 1.00 0.00 N ATOM 81 CA VAL A 9 -9.646 -2.856 -4.425 1.00 0.00 C ATOM 82 C VAL A 9 -8.777 -3.878 -3.700 1.00 0.00 C ATOM 83 O VAL A 9 -7.941 -3.521 -2.870 1.00 0.00 O ATOM 84 CB VAL A 9 -8.743 -1.751 -5.005 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.639 -2.356 -5.858 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.568 -0.759 -5.812 1.00 0.00 C ATOM 0 H VAL A 9 -10.342 -2.149 -2.578 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.176 -3.348 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.277 -1.215 -4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.011 -1.560 -6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.032 -3.024 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.081 -2.918 -6.680 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.915 0.015 -6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.062 -1.279 -6.632 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.319 -0.301 -5.168 1.00 0.00 H new ATOM 96 N VAL A 10 -8.981 -5.152 -4.019 1.00 0.00 N ATOM 97 CA VAL A 10 -8.215 -6.227 -3.399 1.00 0.00 C ATOM 98 C VAL A 10 -7.308 -6.912 -4.415 1.00 0.00 C ATOM 99 O VAL A 10 -7.758 -7.743 -5.206 1.00 0.00 O ATOM 100 CB VAL A 10 -9.141 -7.280 -2.762 1.00 0.00 C ATOM 101 CG1 VAL A 10 -8.373 -8.132 -1.763 1.00 0.00 C ATOM 102 CG2 VAL A 10 -10.333 -6.609 -2.097 1.00 0.00 C ATOM 0 H VAL A 10 -9.670 -5.465 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.604 -5.772 -2.620 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.514 -7.934 -3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.044 -8.870 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.556 -8.642 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.969 -7.495 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.976 -7.368 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.982 -5.930 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.896 -6.047 -2.842 1.00 0.00 H new ATOM 112 N LEU A 11 -6.028 -6.558 -4.390 1.00 0.00 N ATOM 113 CA LEU A 11 -5.055 -7.139 -5.308 1.00 0.00 C ATOM 114 C LEU A 11 -4.494 -8.445 -4.754 1.00 0.00 C ATOM 115 O LEU A 11 -4.168 -8.556 -3.572 1.00 0.00 O ATOM 116 CB LEU A 11 -3.916 -6.151 -5.569 1.00 0.00 C ATOM 117 CG LEU A 11 -4.311 -4.676 -5.639 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.083 -3.788 -5.503 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.043 -4.381 -6.940 1.00 0.00 C ATOM 0 H LEU A 11 -5.640 -5.871 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.564 -7.354 -6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.171 -6.270 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.434 -6.423 -6.508 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.984 -4.460 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.383 -2.741 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.600 -3.980 -4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.385 -4.006 -6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.317 -3.326 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.393 -4.614 -7.784 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.944 -4.991 -6.997 1.00 0.00 H new ATOM 131 N PRO A 12 -4.376 -9.457 -5.626 1.00 0.00 N ATOM 132 CA PRO A 12 -3.851 -10.772 -5.247 1.00 0.00 C ATOM 133 C PRO A 12 -2.358 -10.734 -4.939 1.00 0.00 C ATOM 134 O PRO A 12 -1.558 -10.282 -5.757 1.00 0.00 O ATOM 135 CB PRO A 12 -4.121 -11.631 -6.485 1.00 0.00 C ATOM 136 CG PRO A 12 -4.168 -10.663 -7.616 1.00 0.00 C ATOM 137 CD PRO A 12 -4.745 -9.394 -7.050 1.00 0.00 C ATOM 0 HA PRO A 12 -4.318 -11.151 -4.338 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.335 -12.372 -6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.060 -12.176 -6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.172 -10.491 -8.024 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.785 -11.043 -8.430 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.327 -8.512 -7.535 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.826 -9.349 -7.183 1.00 0.00 H new ATOM 145 N GLY A 13 -1.990 -11.212 -3.754 1.00 0.00 N ATOM 146 CA GLY A 13 -0.594 -11.224 -3.360 1.00 0.00 C ATOM 147 C GLY A 13 -0.088 -12.621 -3.060 1.00 0.00 C ATOM 148 O GLY A 13 -0.632 -13.617 -3.537 1.00 0.00 O ATOM 0 H GLY A 13 -2.634 -11.591 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.009 -10.786 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.463 -10.596 -2.478 1.00 0.00 H new ATOM 152 N PRO A 14 0.980 -12.707 -2.253 1.00 0.00 N ATOM 153 CA PRO A 14 1.636 -11.528 -1.680 1.00 0.00 C ATOM 154 C PRO A 14 2.375 -10.707 -2.732 1.00 0.00 C ATOM 155 O PRO A 14 2.385 -11.058 -3.912 1.00 0.00 O ATOM 156 CB PRO A 14 2.625 -12.125 -0.676 1.00 0.00 C ATOM 157 CG PRO A 14 2.903 -13.496 -1.188 1.00 0.00 C ATOM 158 CD PRO A 14 1.629 -13.961 -1.837 1.00 0.00 C ATOM 0 HA PRO A 14 0.919 -10.839 -1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.537 -11.531 -0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.201 -12.156 0.327 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.725 -13.486 -1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.194 -14.164 -0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.826 -14.613 -2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.006 -14.524 -1.142 1.00 0.00 H new ATOM 166 N ALA A 15 2.993 -9.614 -2.297 1.00 0.00 N ATOM 167 CA ALA A 15 3.736 -8.745 -3.201 1.00 0.00 C ATOM 168 C ALA A 15 4.664 -9.555 -4.100 1.00 0.00 C ATOM 169 O ALA A 15 4.899 -10.743 -3.882 1.00 0.00 O ATOM 170 CB ALA A 15 4.530 -7.716 -2.410 1.00 0.00 C ATOM 0 H ALA A 15 2.994 -9.309 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 15 3.020 -8.224 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.080 -7.074 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.848 -7.110 -1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.232 -8.227 -1.750 1.00 0.00 H new ATOM 176 N PRO A 16 5.206 -8.898 -5.137 1.00 0.00 N ATOM 177 CA PRO A 16 4.934 -7.483 -5.407 1.00 0.00 C ATOM 178 C PRO A 16 3.503 -7.248 -5.879 1.00 0.00 C ATOM 179 O PRO A 16 2.724 -8.190 -6.022 1.00 0.00 O ATOM 180 CB PRO A 16 5.928 -7.137 -6.518 1.00 0.00 C ATOM 181 CG PRO A 16 6.205 -8.434 -7.196 1.00 0.00 C ATOM 182 CD PRO A 16 6.125 -9.486 -6.125 1.00 0.00 C ATOM 0 HA PRO A 16 5.042 -6.869 -4.513 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.508 -6.409 -7.212 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.840 -6.700 -6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.478 -8.625 -7.986 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.189 -8.427 -7.664 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.744 -10.429 -6.516 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.103 -9.693 -5.691 1.00 0.00 H new ATOM 190 N TRP A 17 3.165 -5.986 -6.119 1.00 0.00 N ATOM 191 CA TRP A 17 1.827 -5.628 -6.576 1.00 0.00 C ATOM 192 C TRP A 17 1.871 -5.036 -7.980 1.00 0.00 C ATOM 193 O TRP A 17 1.145 -5.474 -8.871 1.00 0.00 O ATOM 194 CB TRP A 17 1.186 -4.630 -5.609 1.00 0.00 C ATOM 195 CG TRP A 17 1.213 -5.085 -4.181 1.00 0.00 C ATOM 196 CD1 TRP A 17 1.895 -4.507 -3.149 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.528 -6.215 -3.629 1.00 0.00 C ATOM 198 NE1 TRP A 17 1.676 -5.210 -1.989 1.00 0.00 N ATOM 199 CE2 TRP A 17 0.840 -6.261 -2.257 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.320 -7.191 -4.161 1.00 0.00 C ATOM 201 CZ2 TRP A 17 0.334 -7.246 -1.411 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -0.821 -8.167 -3.321 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.493 -8.188 -1.958 1.00 0.00 C ATOM 0 H TRP A 17 3.798 -5.194 -6.005 1.00 0.00 H new ATOM 0 HA TRP A 17 1.225 -6.536 -6.604 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.704 -3.674 -5.688 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.152 -4.458 -5.908 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.515 -3.627 -3.232 1.00 0.00 H new ATOM 0 HE1 TRP A 17 2.072 -4.985 -1.076 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.579 -7.182 -5.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 0.586 -7.265 -0.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.476 -8.927 -3.721 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.902 -8.964 -1.327 1.00 0.00 H new ATOM 214 N GLY A 18 2.729 -4.039 -8.171 1.00 0.00 N ATOM 215 CA GLY A 18 2.852 -3.404 -9.471 1.00 0.00 C ATOM 216 C GLY A 18 2.239 -2.018 -9.499 1.00 0.00 C ATOM 217 O GLY A 18 1.731 -1.577 -10.530 1.00 0.00 O ATOM 0 H GLY A 18 3.341 -3.659 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.906 -3.337 -9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.369 -4.027 -10.224 1.00 0.00 H new ATOM 221 N PHE A 19 2.286 -1.329 -8.364 1.00 0.00 N ATOM 222 CA PHE A 19 1.729 0.015 -8.262 1.00 0.00 C ATOM 223 C PHE A 19 2.592 0.894 -7.362 1.00 0.00 C ATOM 224 O PHE A 19 3.060 0.455 -6.312 1.00 0.00 O ATOM 225 CB PHE A 19 0.299 -0.042 -7.719 1.00 0.00 C ATOM 226 CG PHE A 19 0.225 0.005 -6.220 1.00 0.00 C ATOM 227 CD1 PHE A 19 0.169 1.219 -5.554 1.00 0.00 C ATOM 228 CD2 PHE A 19 0.212 -1.164 -5.476 1.00 0.00 C ATOM 229 CE1 PHE A 19 0.100 1.266 -4.174 1.00 0.00 C ATOM 230 CE2 PHE A 19 0.144 -1.123 -4.096 1.00 0.00 C ATOM 231 CZ PHE A 19 0.089 0.094 -3.444 1.00 0.00 C ATOM 0 H PHE A 19 2.704 -1.679 -7.502 1.00 0.00 H new ATOM 0 HA PHE A 19 1.714 0.452 -9.261 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.270 0.792 -8.129 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.178 -0.957 -8.070 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.179 2.139 -6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.255 -2.118 -5.980 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.055 2.219 -3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.134 -2.041 -3.528 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.038 0.128 -2.366 1.00 0.00 H new ATOM 241 N ARG A 20 2.798 2.138 -7.782 1.00 0.00 N ATOM 242 CA ARG A 20 3.605 3.080 -7.016 1.00 0.00 C ATOM 243 C ARG A 20 2.720 4.043 -6.231 1.00 0.00 C ATOM 244 O ARG A 20 1.494 4.015 -6.351 1.00 0.00 O ATOM 245 CB ARG A 20 4.532 3.865 -7.946 1.00 0.00 C ATOM 246 CG ARG A 20 5.400 2.982 -8.828 1.00 0.00 C ATOM 247 CD ARG A 20 6.372 2.154 -8.003 1.00 0.00 C ATOM 248 NE ARG A 20 7.620 2.869 -7.748 1.00 0.00 N ATOM 249 CZ ARG A 20 8.643 2.888 -8.595 1.00 0.00 C ATOM 250 NH1 ARG A 20 8.567 2.235 -9.746 1.00 0.00 N ATOM 251 NH2 ARG A 20 9.745 3.562 -8.291 1.00 0.00 N ATOM 0 H ARG A 20 2.417 2.517 -8.649 1.00 0.00 H new ATOM 0 HA ARG A 20 4.208 2.511 -6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.930 4.517 -8.579 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.175 4.509 -7.346 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.766 2.320 -9.418 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.955 3.602 -9.532 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.907 1.887 -7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.588 1.222 -8.525 1.00 0.00 H new ATOM 0 HE ARG A 20 7.711 3.382 -6.871 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.721 1.716 -9.983 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.354 2.251 -10.395 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.807 4.066 -7.406 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.530 3.576 -8.942 1.00 0.00 H new ATOM 265 N LEU A 21 3.348 4.894 -5.427 1.00 0.00 N ATOM 266 CA LEU A 21 2.617 5.867 -4.622 1.00 0.00 C ATOM 267 C LEU A 21 3.300 7.230 -4.663 1.00 0.00 C ATOM 268 O LEU A 21 4.526 7.320 -4.713 1.00 0.00 O ATOM 269 CB LEU A 21 2.508 5.381 -3.175 1.00 0.00 C ATOM 270 CG LEU A 21 3.804 4.881 -2.536 1.00 0.00 C ATOM 271 CD1 LEU A 21 4.804 6.018 -2.398 1.00 0.00 C ATOM 272 CD2 LEU A 21 3.521 4.250 -1.181 1.00 0.00 C ATOM 0 H LEU A 21 4.361 4.930 -5.315 1.00 0.00 H new ATOM 0 HA LEU A 21 1.616 5.970 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.118 6.197 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.774 4.576 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 21 4.237 4.120 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.720 5.643 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.030 6.425 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.380 6.801 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.455 3.900 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.065 4.990 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.841 3.408 -1.307 1.00 0.00 H new ATOM 284 N SER A 22 2.497 8.289 -4.638 1.00 0.00 N ATOM 285 CA SER A 22 3.023 9.649 -4.674 1.00 0.00 C ATOM 286 C SER A 22 2.238 10.560 -3.736 1.00 0.00 C ATOM 287 O SER A 22 1.008 10.555 -3.732 1.00 0.00 O ATOM 288 CB SER A 22 2.972 10.200 -6.100 1.00 0.00 C ATOM 289 OG SER A 22 2.949 11.617 -6.098 1.00 0.00 O ATOM 0 H SER A 22 1.480 8.232 -4.593 1.00 0.00 H new ATOM 0 HA SER A 22 4.060 9.620 -4.340 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.838 9.848 -6.661 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.086 9.819 -6.609 1.00 0.00 H new ATOM 0 HG SER A 22 2.918 11.945 -7.021 1.00 0.00 H new ATOM 295 N GLY A 23 2.960 11.343 -2.940 1.00 0.00 N ATOM 296 CA GLY A 23 2.315 12.249 -2.007 1.00 0.00 C ATOM 297 C GLY A 23 2.814 12.071 -0.587 1.00 0.00 C ATOM 298 O GLY A 23 4.003 11.848 -0.362 1.00 0.00 O ATOM 0 H GLY A 23 3.980 11.366 -2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.490 13.277 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.238 12.086 -2.033 1.00 0.00 H new ATOM 302 N GLY A 24 1.903 12.172 0.376 1.00 0.00 N ATOM 303 CA GLY A 24 2.276 12.020 1.770 1.00 0.00 C ATOM 304 C GLY A 24 1.804 13.178 2.626 1.00 0.00 C ATOM 305 O GLY A 24 2.028 14.340 2.287 1.00 0.00 O ATOM 0 H GLY A 24 0.913 12.356 0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.855 11.092 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.360 11.935 1.846 1.00 0.00 H new ATOM 309 N ILE A 25 1.149 12.861 3.738 1.00 0.00 N ATOM 310 CA ILE A 25 0.644 13.885 4.644 1.00 0.00 C ATOM 311 C ILE A 25 1.731 14.897 4.991 1.00 0.00 C ATOM 312 O ILE A 25 1.450 16.076 5.203 1.00 0.00 O ATOM 313 CB ILE A 25 0.101 13.266 5.946 1.00 0.00 C ATOM 314 CG1 ILE A 25 1.197 12.466 6.652 1.00 0.00 C ATOM 315 CG2 ILE A 25 -1.101 12.381 5.650 1.00 0.00 C ATOM 316 CD1 ILE A 25 0.794 11.967 8.022 1.00 0.00 C ATOM 0 H ILE A 25 0.956 11.904 4.033 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.169 14.392 4.125 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.219 14.071 6.608 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.471 11.614 6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.086 13.090 6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.474 11.951 6.580 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.886 12.977 5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.805 11.580 4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.620 11.408 8.463 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.548 12.816 8.660 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.076 11.317 7.931 1.00 0.00 H new ATOM 328 N ASP A 26 2.972 14.428 5.045 1.00 0.00 N ATOM 329 CA ASP A 26 4.103 15.292 5.362 1.00 0.00 C ATOM 330 C ASP A 26 4.360 16.287 4.235 1.00 0.00 C ATOM 331 O ASP A 26 4.660 17.456 4.480 1.00 0.00 O ATOM 332 CB ASP A 26 5.357 14.455 5.616 1.00 0.00 C ATOM 333 CG ASP A 26 6.448 15.242 6.316 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.113 16.197 7.047 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.636 14.904 6.132 1.00 0.00 O ATOM 0 H ASP A 26 3.221 13.454 4.873 1.00 0.00 H new ATOM 0 HA ASP A 26 3.859 15.850 6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.094 13.587 6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.737 14.078 4.666 1.00 0.00 H new ATOM 340 N PHE A 27 4.241 15.816 2.998 1.00 0.00 N ATOM 341 CA PHE A 27 4.463 16.663 1.832 1.00 0.00 C ATOM 342 C PHE A 27 3.199 17.440 1.476 1.00 0.00 C ATOM 343 O PHE A 27 3.076 17.975 0.376 1.00 0.00 O ATOM 344 CB PHE A 27 4.909 15.817 0.638 1.00 0.00 C ATOM 345 CG PHE A 27 6.232 15.137 0.846 1.00 0.00 C ATOM 346 CD1 PHE A 27 6.297 13.881 1.426 1.00 0.00 C ATOM 347 CD2 PHE A 27 7.411 15.755 0.461 1.00 0.00 C ATOM 348 CE1 PHE A 27 7.512 13.252 1.619 1.00 0.00 C ATOM 349 CE2 PHE A 27 8.630 15.131 0.650 1.00 0.00 C ATOM 350 CZ PHE A 27 8.681 13.878 1.231 1.00 0.00 C ATOM 0 H PHE A 27 3.992 14.852 2.777 1.00 0.00 H new ATOM 0 HA PHE A 27 5.250 17.376 2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.150 15.062 0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.971 16.453 -0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.386 13.387 1.731 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.377 16.735 0.008 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.548 12.272 2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.542 15.622 0.344 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.632 13.389 1.381 1.00 0.00 H new ATOM 360 N ASN A 28 2.261 17.495 2.416 1.00 0.00 N ATOM 361 CA ASN A 28 1.005 18.204 2.202 1.00 0.00 C ATOM 362 C ASN A 28 0.375 17.806 0.871 1.00 0.00 C ATOM 363 O ASN A 28 -0.153 18.649 0.146 1.00 0.00 O ATOM 364 CB ASN A 28 1.236 19.716 2.237 1.00 0.00 C ATOM 365 CG ASN A 28 2.202 20.128 3.332 1.00 0.00 C ATOM 366 OD1 ASN A 28 3.401 19.862 3.249 1.00 0.00 O ATOM 367 ND2 ASN A 28 1.682 20.780 4.365 1.00 0.00 N ATOM 0 H ASN A 28 2.347 17.057 3.333 1.00 0.00 H new ATOM 0 HA ASN A 28 0.321 17.929 3.005 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.623 20.044 1.272 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.283 20.223 2.387 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.283 21.082 5.132 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.682 20.979 4.391 1.00 0.00 H new ATOM 374 N GLN A 29 0.435 16.516 0.557 1.00 0.00 N ATOM 375 CA GLN A 29 -0.129 16.006 -0.687 1.00 0.00 C ATOM 376 C GLN A 29 -0.742 14.624 -0.482 1.00 0.00 C ATOM 377 O GLN A 29 -0.218 13.790 0.257 1.00 0.00 O ATOM 378 CB GLN A 29 0.947 15.944 -1.773 1.00 0.00 C ATOM 379 CG GLN A 29 1.123 17.249 -2.531 1.00 0.00 C ATOM 380 CD GLN A 29 1.638 17.040 -3.941 1.00 0.00 C ATOM 381 OE1 GLN A 29 2.847 16.999 -4.173 1.00 0.00 O ATOM 382 NE2 GLN A 29 0.722 16.906 -4.893 1.00 0.00 N ATOM 0 H GLN A 29 0.868 15.805 1.147 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.917 16.689 -1.005 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.897 15.668 -1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.693 15.154 -2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.168 17.773 -2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.816 17.890 -1.987 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.269 16.946 -4.656 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.010 16.763 -5.861 1.00 0.00 H new ATOM 391 N PRO A 30 -1.878 14.375 -1.149 1.00 0.00 N ATOM 392 CA PRO A 30 -2.586 13.095 -1.055 1.00 0.00 C ATOM 393 C PRO A 30 -1.824 11.960 -1.732 1.00 0.00 C ATOM 394 O PRO A 30 -1.229 12.145 -2.794 1.00 0.00 O ATOM 395 CB PRO A 30 -3.904 13.364 -1.786 1.00 0.00 C ATOM 396 CG PRO A 30 -3.593 14.473 -2.731 1.00 0.00 C ATOM 397 CD PRO A 30 -2.559 15.323 -2.047 1.00 0.00 C ATOM 0 HA PRO A 30 -2.714 12.775 -0.021 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.251 12.477 -2.317 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.693 13.647 -1.089 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.215 14.085 -3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.487 15.054 -2.959 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.867 15.767 -2.762 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.015 16.144 -1.494 1.00 0.00 H new ATOM 405 N LEU A 31 -1.847 10.786 -1.111 1.00 0.00 N ATOM 406 CA LEU A 31 -1.159 9.620 -1.654 1.00 0.00 C ATOM 407 C LEU A 31 -1.929 9.032 -2.832 1.00 0.00 C ATOM 408 O LEU A 31 -2.978 8.412 -2.654 1.00 0.00 O ATOM 409 CB LEU A 31 -0.978 8.558 -0.567 1.00 0.00 C ATOM 410 CG LEU A 31 -0.252 9.011 0.700 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.670 8.159 1.888 1.00 0.00 C ATOM 412 CD2 LEU A 31 1.255 8.951 0.501 1.00 0.00 C ATOM 0 H LEU A 31 -2.334 10.616 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.179 9.940 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.962 8.185 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.430 7.718 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.530 10.045 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.143 8.496 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.745 8.254 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.422 7.116 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.756 9.277 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.551 7.928 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.540 9.605 -0.323 1.00 0.00 H new ATOM 424 N VAL A 32 -1.400 9.229 -4.035 1.00 0.00 N ATOM 425 CA VAL A 32 -2.036 8.716 -5.243 1.00 0.00 C ATOM 426 C VAL A 32 -1.025 8.009 -6.138 1.00 0.00 C ATOM 427 O VAL A 32 0.091 8.492 -6.333 1.00 0.00 O ATOM 428 CB VAL A 32 -2.713 9.844 -6.043 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.826 10.485 -5.227 1.00 0.00 C ATOM 430 CG2 VAL A 32 -1.688 10.884 -6.471 1.00 0.00 C ATOM 0 H VAL A 32 -0.533 9.740 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.795 8.002 -4.923 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.156 9.413 -6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.292 11.280 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.573 9.732 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.411 10.903 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.184 11.673 -7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.214 11.312 -5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.931 10.412 -7.097 1.00 0.00 H new ATOM 440 N ILE A 33 -1.423 6.863 -6.681 1.00 0.00 N ATOM 441 CA ILE A 33 -0.551 6.090 -7.557 1.00 0.00 C ATOM 442 C ILE A 33 0.232 7.002 -8.496 1.00 0.00 C ATOM 443 O ILE A 33 -0.280 8.020 -8.962 1.00 0.00 O ATOM 444 CB ILE A 33 -1.352 5.076 -8.395 1.00 0.00 C ATOM 445 CG1 ILE A 33 -2.102 4.106 -7.480 1.00 0.00 C ATOM 446 CG2 ILE A 33 -0.426 4.317 -9.334 1.00 0.00 C ATOM 447 CD1 ILE A 33 -3.216 3.356 -8.177 1.00 0.00 C ATOM 0 H ILE A 33 -2.343 6.450 -6.530 1.00 0.00 H new ATOM 0 HA ILE A 33 0.144 5.550 -6.915 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.082 5.619 -8.995 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.394 3.387 -7.068 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.519 4.661 -6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.006 3.604 -9.920 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.068 5.020 -10.004 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.324 3.782 -8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.703 2.687 -7.468 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.945 4.067 -8.566 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.803 2.773 -9.000 1.00 0.00 H new ATOM 459 N THR A 34 1.478 6.628 -8.772 1.00 0.00 N ATOM 460 CA THR A 34 2.333 7.410 -9.656 1.00 0.00 C ATOM 461 C THR A 34 2.834 6.568 -10.823 1.00 0.00 C ATOM 462 O THR A 34 3.337 7.099 -11.814 1.00 0.00 O ATOM 463 CB THR A 34 3.543 7.989 -8.899 1.00 0.00 C ATOM 464 OG1 THR A 34 4.568 8.361 -9.826 1.00 0.00 O ATOM 465 CG2 THR A 34 4.093 6.979 -7.904 1.00 0.00 C ATOM 0 H THR A 34 1.917 5.788 -8.396 1.00 0.00 H new ATOM 0 HA THR A 34 1.726 8.231 -10.038 1.00 0.00 H new ATOM 0 HB THR A 34 3.213 8.871 -8.351 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.239 8.244 -10.742 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.947 7.411 -7.382 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.318 6.721 -7.182 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.409 6.081 -8.434 1.00 0.00 H new ATOM 473 N ARG A 35 2.693 5.252 -10.701 1.00 0.00 N ATOM 474 CA ARG A 35 3.132 4.336 -11.747 1.00 0.00 C ATOM 475 C ARG A 35 2.446 2.980 -11.606 1.00 0.00 C ATOM 476 O ARG A 35 2.234 2.494 -10.495 1.00 0.00 O ATOM 477 CB ARG A 35 4.651 4.159 -11.695 1.00 0.00 C ATOM 478 CG ARG A 35 5.296 4.027 -13.064 1.00 0.00 C ATOM 479 CD ARG A 35 5.698 5.382 -13.624 1.00 0.00 C ATOM 480 NE ARG A 35 5.970 5.324 -15.058 1.00 0.00 N ATOM 481 CZ ARG A 35 5.021 5.230 -15.983 1.00 0.00 C ATOM 482 NH1 ARG A 35 3.745 5.185 -15.626 1.00 0.00 N ATOM 483 NH2 ARG A 35 5.348 5.182 -17.268 1.00 0.00 N ATOM 0 H ARG A 35 2.278 4.796 -9.888 1.00 0.00 H new ATOM 0 HA ARG A 35 2.856 4.765 -12.710 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.090 5.011 -11.177 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.885 3.272 -11.106 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.175 3.386 -12.993 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.602 3.541 -13.749 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.902 6.103 -13.435 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.584 5.742 -13.101 1.00 0.00 H new ATOM 0 HE ARG A 35 6.942 5.358 -15.366 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.490 5.223 -14.639 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.018 5.113 -16.338 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.329 5.217 -17.546 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.619 5.110 -17.977 1.00 0.00 H new ATOM 497 N ILE A 36 2.102 2.376 -12.738 1.00 0.00 N ATOM 498 CA ILE A 36 1.441 1.077 -12.740 1.00 0.00 C ATOM 499 C ILE A 36 2.045 0.155 -13.793 1.00 0.00 C ATOM 500 O ILE A 36 2.301 0.568 -14.925 1.00 0.00 O ATOM 501 CB ILE A 36 -0.070 1.215 -13.002 1.00 0.00 C ATOM 502 CG1 ILE A 36 -0.746 1.948 -11.840 1.00 0.00 C ATOM 503 CG2 ILE A 36 -0.699 -0.154 -13.209 1.00 0.00 C ATOM 504 CD1 ILE A 36 -0.997 1.068 -10.636 1.00 0.00 C ATOM 0 H ILE A 36 2.270 2.765 -13.666 1.00 0.00 H new ATOM 0 HA ILE A 36 1.592 0.644 -11.751 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.215 1.800 -13.910 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.123 2.791 -11.541 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.695 2.360 -12.183 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.767 -0.040 -13.393 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.234 -0.643 -14.065 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.548 -0.763 -12.317 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.478 1.653 -9.852 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.645 0.239 -10.920 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.049 0.677 -10.267 1.00 0.00 H new ATOM 516 N THR A 37 2.271 -1.100 -13.414 1.00 0.00 N ATOM 517 CA THR A 37 2.844 -2.082 -14.325 1.00 0.00 C ATOM 518 C THR A 37 1.837 -2.496 -15.392 1.00 0.00 C ATOM 519 O THR A 37 0.747 -2.985 -15.095 1.00 0.00 O ATOM 520 CB THR A 37 3.321 -3.337 -13.571 1.00 0.00 C ATOM 521 OG1 THR A 37 3.892 -2.965 -12.311 1.00 0.00 O ATOM 522 CG2 THR A 37 4.346 -4.105 -14.391 1.00 0.00 C ATOM 0 H THR A 37 2.065 -1.459 -12.482 1.00 0.00 H new ATOM 0 HA THR A 37 3.701 -1.607 -14.803 1.00 0.00 H new ATOM 0 HB THR A 37 2.458 -3.981 -13.402 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.333 -3.743 -11.909 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.668 -4.987 -13.837 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.899 -4.413 -15.336 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.207 -3.466 -14.588 1.00 0.00 H new ATOM 530 N PRO A 38 2.208 -2.297 -16.666 1.00 0.00 N ATOM 531 CA PRO A 38 1.351 -2.645 -17.803 1.00 0.00 C ATOM 532 C PRO A 38 1.203 -4.152 -17.979 1.00 0.00 C ATOM 533 O PRO A 38 1.980 -4.783 -18.695 1.00 0.00 O ATOM 534 CB PRO A 38 2.086 -2.037 -19.000 1.00 0.00 C ATOM 535 CG PRO A 38 3.513 -1.972 -18.576 1.00 0.00 C ATOM 536 CD PRO A 38 3.493 -1.719 -17.094 1.00 0.00 C ATOM 0 HA PRO A 38 0.334 -2.273 -17.675 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.966 -2.652 -19.892 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.699 -1.047 -19.241 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.031 -2.903 -18.806 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.040 -1.175 -19.101 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.335 -2.197 -16.593 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.550 -0.654 -16.867 1.00 0.00 H new ATOM 544 N GLY A 39 0.201 -4.725 -17.319 1.00 0.00 N ATOM 545 CA GLY A 39 -0.030 -6.155 -17.416 1.00 0.00 C ATOM 546 C GLY A 39 0.464 -6.906 -16.196 1.00 0.00 C ATOM 547 O GLY A 39 1.283 -7.818 -16.310 1.00 0.00 O ATOM 0 H GLY A 39 -0.455 -4.225 -16.719 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.096 -6.340 -17.545 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.470 -6.541 -18.304 1.00 0.00 H new ATOM 551 N SER A 40 -0.033 -6.521 -15.025 1.00 0.00 N ATOM 552 CA SER A 40 0.367 -7.161 -13.777 1.00 0.00 C ATOM 553 C SER A 40 -0.773 -7.139 -12.764 1.00 0.00 C ATOM 554 O SER A 40 -1.885 -6.710 -13.073 1.00 0.00 O ATOM 555 CB SER A 40 1.597 -6.464 -13.193 1.00 0.00 C ATOM 556 OG SER A 40 1.221 -5.450 -12.277 1.00 0.00 O ATOM 0 H SER A 40 -0.713 -5.769 -14.914 1.00 0.00 H new ATOM 0 HA SER A 40 0.616 -8.200 -13.994 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.230 -7.196 -12.691 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.190 -6.030 -13.998 1.00 0.00 H new ATOM 0 HG SER A 40 0.620 -4.815 -12.720 1.00 0.00 H new ATOM 562 N LYS A 41 -0.489 -7.603 -11.552 1.00 0.00 N ATOM 563 CA LYS A 41 -1.489 -7.636 -10.491 1.00 0.00 C ATOM 564 C LYS A 41 -2.059 -6.244 -10.237 1.00 0.00 C ATOM 565 O LYS A 41 -3.191 -6.102 -9.777 1.00 0.00 O ATOM 566 CB LYS A 41 -0.877 -8.191 -9.203 1.00 0.00 C ATOM 567 CG LYS A 41 -0.154 -9.513 -9.394 1.00 0.00 C ATOM 568 CD LYS A 41 -1.091 -10.694 -9.197 1.00 0.00 C ATOM 569 CE LYS A 41 -0.537 -11.957 -9.840 1.00 0.00 C ATOM 570 NZ LYS A 41 -0.851 -12.022 -11.294 1.00 0.00 N ATOM 0 H LYS A 41 0.426 -7.962 -11.280 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.301 -8.289 -10.811 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.178 -7.459 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.666 -8.322 -8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.277 -9.552 -10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.673 -9.582 -8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.245 -10.864 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.066 -10.463 -9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.543 -11.992 -9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.952 -12.832 -9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.457 -12.897 -11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.882 -12.014 -11.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.433 -11.201 -11.776 1.00 0.00 H new ATOM 584 N ALA A 42 -1.267 -5.221 -10.542 1.00 0.00 N ATOM 585 CA ALA A 42 -1.695 -3.841 -10.350 1.00 0.00 C ATOM 586 C ALA A 42 -2.698 -3.423 -11.419 1.00 0.00 C ATOM 587 O ALA A 42 -3.891 -3.289 -11.147 1.00 0.00 O ATOM 588 CB ALA A 42 -0.492 -2.910 -10.359 1.00 0.00 C ATOM 0 H ALA A 42 -0.326 -5.322 -10.923 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.188 -3.771 -9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.826 -1.883 -10.215 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.188 -3.187 -9.554 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.025 -2.993 -11.315 1.00 0.00 H new ATOM 594 N ALA A 43 -2.207 -3.219 -12.637 1.00 0.00 N ATOM 595 CA ALA A 43 -3.061 -2.817 -13.748 1.00 0.00 C ATOM 596 C ALA A 43 -4.186 -3.824 -13.967 1.00 0.00 C ATOM 597 O ALA A 43 -5.344 -3.446 -14.142 1.00 0.00 O ATOM 598 CB ALA A 43 -2.237 -2.659 -15.017 1.00 0.00 C ATOM 0 H ALA A 43 -1.222 -3.326 -12.879 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.511 -1.856 -13.499 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.888 -2.359 -15.838 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.473 -1.897 -14.862 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.759 -3.608 -15.261 1.00 0.00 H new ATOM 604 N ALA A 44 -3.837 -5.106 -13.957 1.00 0.00 N ATOM 605 CA ALA A 44 -4.817 -6.166 -14.154 1.00 0.00 C ATOM 606 C ALA A 44 -5.966 -6.042 -13.159 1.00 0.00 C ATOM 607 O ALA A 44 -7.014 -6.666 -13.326 1.00 0.00 O ATOM 608 CB ALA A 44 -4.153 -7.529 -14.028 1.00 0.00 C ATOM 0 H ALA A 44 -2.882 -5.436 -13.814 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.227 -6.066 -15.159 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.897 -8.311 -14.177 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.371 -7.624 -14.781 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.715 -7.630 -13.035 1.00 0.00 H new ATOM 614 N ALA A 45 -5.762 -5.234 -12.123 1.00 0.00 N ATOM 615 CA ALA A 45 -6.782 -5.028 -11.103 1.00 0.00 C ATOM 616 C ALA A 45 -7.500 -3.698 -11.304 1.00 0.00 C ATOM 617 O ALA A 45 -8.139 -3.182 -10.389 1.00 0.00 O ATOM 618 CB ALA A 45 -6.160 -5.089 -9.715 1.00 0.00 C ATOM 0 H ALA A 45 -4.900 -4.712 -11.969 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.519 -5.826 -11.195 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.933 -4.933 -8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.699 -6.065 -9.565 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.401 -4.312 -9.622 1.00 0.00 H new ATOM 624 N ASN A 46 -7.389 -3.148 -12.509 1.00 0.00 N ATOM 625 CA ASN A 46 -8.027 -1.876 -12.830 1.00 0.00 C ATOM 626 C ASN A 46 -7.387 -0.734 -12.048 1.00 0.00 C ATOM 627 O ASN A 46 -8.082 0.115 -11.487 1.00 0.00 O ATOM 628 CB ASN A 46 -9.525 -1.942 -12.526 1.00 0.00 C ATOM 629 CG ASN A 46 -10.170 -3.203 -13.067 1.00 0.00 C ATOM 630 OD1 ASN A 46 -9.563 -3.940 -13.845 1.00 0.00 O ATOM 631 ND2 ASN A 46 -11.407 -3.458 -12.657 1.00 0.00 N ATOM 0 H ASN A 46 -6.864 -3.563 -13.279 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.888 -1.686 -13.894 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.677 -1.894 -11.448 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.019 -1.071 -12.957 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.892 -4.292 -12.987 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.872 -2.820 -12.012 1.00 0.00 H new ATOM 638 N LEU A 47 -6.059 -0.718 -12.014 1.00 0.00 N ATOM 639 CA LEU A 47 -5.324 0.321 -11.301 1.00 0.00 C ATOM 640 C LEU A 47 -4.632 1.266 -12.277 1.00 0.00 C ATOM 641 O LEU A 47 -4.148 0.844 -13.329 1.00 0.00 O ATOM 642 CB LEU A 47 -4.292 -0.309 -10.364 1.00 0.00 C ATOM 643 CG LEU A 47 -4.833 -1.318 -9.350 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.691 -2.042 -8.656 1.00 0.00 C ATOM 645 CD2 LEU A 47 -5.725 -0.624 -8.331 1.00 0.00 C ATOM 0 H LEU A 47 -5.469 -1.413 -12.472 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.037 0.897 -10.711 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.535 -0.805 -10.971 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.790 0.490 -9.819 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.432 -2.056 -9.884 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.095 -2.756 -7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.093 -2.572 -9.397 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.065 -1.318 -8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.101 -1.357 -7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.150 0.136 -7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.564 -0.153 -8.843 1.00 0.00 H new ATOM 657 N CYS A 48 -4.585 2.545 -11.922 1.00 0.00 N ATOM 658 CA CYS A 48 -3.950 3.551 -12.767 1.00 0.00 C ATOM 659 C CYS A 48 -3.332 4.659 -11.921 1.00 0.00 C ATOM 660 O CYS A 48 -3.792 4.963 -10.820 1.00 0.00 O ATOM 661 CB CYS A 48 -4.967 4.144 -13.743 1.00 0.00 C ATOM 662 SG CYS A 48 -5.083 3.259 -15.316 1.00 0.00 S ATOM 0 H CYS A 48 -4.979 2.910 -11.055 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.156 3.065 -13.334 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.948 4.151 -13.269 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.702 5.182 -13.941 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.766 2.011 -15.136 1.00 0.00 H new ATOM 668 N PRO A 49 -2.264 5.278 -12.445 1.00 0.00 N ATOM 669 CA PRO A 49 -1.559 6.362 -11.754 1.00 0.00 C ATOM 670 C PRO A 49 -2.388 7.640 -11.684 1.00 0.00 C ATOM 671 O PRO A 49 -2.436 8.414 -12.640 1.00 0.00 O ATOM 672 CB PRO A 49 -0.312 6.580 -12.615 1.00 0.00 C ATOM 673 CG PRO A 49 -0.701 6.103 -13.972 1.00 0.00 C ATOM 674 CD PRO A 49 -1.662 4.968 -13.752 1.00 0.00 C ATOM 0 HA PRO A 49 -1.339 6.109 -10.717 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.022 7.630 -12.633 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.539 6.021 -12.228 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.167 6.903 -14.548 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.172 5.772 -14.534 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.414 4.920 -14.539 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.151 4.005 -13.741 1.00 0.00 H new ATOM 682 N GLY A 50 -3.039 7.857 -10.546 1.00 0.00 N ATOM 683 CA GLY A 50 -3.857 9.043 -10.373 1.00 0.00 C ATOM 684 C GLY A 50 -4.900 8.875 -9.285 1.00 0.00 C ATOM 685 O GLY A 50 -5.403 9.858 -8.741 1.00 0.00 O ATOM 0 H GLY A 50 -3.015 7.232 -9.740 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.216 9.890 -10.130 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.353 9.279 -11.314 1.00 0.00 H new ATOM 689 N ASP A 51 -5.226 7.627 -8.969 1.00 0.00 N ATOM 690 CA ASP A 51 -6.216 7.333 -7.939 1.00 0.00 C ATOM 691 C ASP A 51 -5.702 7.734 -6.560 1.00 0.00 C ATOM 692 O ASP A 51 -4.495 7.759 -6.319 1.00 0.00 O ATOM 693 CB ASP A 51 -6.571 5.845 -7.952 1.00 0.00 C ATOM 694 CG ASP A 51 -7.392 5.456 -9.165 1.00 0.00 C ATOM 695 OD1 ASP A 51 -8.034 6.348 -9.757 1.00 0.00 O ATOM 696 OD2 ASP A 51 -7.394 4.259 -9.522 1.00 0.00 O ATOM 0 H ASP A 51 -4.819 6.802 -9.411 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.112 7.914 -8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.654 5.256 -7.933 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.126 5.599 -7.047 1.00 0.00 H new ATOM 701 N VAL A 52 -6.626 8.050 -5.658 1.00 0.00 N ATOM 702 CA VAL A 52 -6.267 8.450 -4.303 1.00 0.00 C ATOM 703 C VAL A 52 -6.417 7.288 -3.328 1.00 0.00 C ATOM 704 O VAL A 52 -7.336 6.477 -3.450 1.00 0.00 O ATOM 705 CB VAL A 52 -7.132 9.628 -3.818 1.00 0.00 C ATOM 706 CG1 VAL A 52 -6.745 10.028 -2.402 1.00 0.00 C ATOM 707 CG2 VAL A 52 -7.006 10.809 -4.768 1.00 0.00 C ATOM 0 H VAL A 52 -7.629 8.037 -5.842 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.223 8.763 -4.332 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.174 9.310 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.367 10.862 -2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.893 9.182 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.697 10.328 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.624 11.632 -4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.965 11.130 -4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.338 10.513 -5.763 1.00 0.00 H new ATOM 717 N ILE A 53 -5.509 7.212 -2.361 1.00 0.00 N ATOM 718 CA ILE A 53 -5.541 6.150 -1.364 1.00 0.00 C ATOM 719 C ILE A 53 -6.129 6.648 -0.049 1.00 0.00 C ATOM 720 O ILE A 53 -5.547 7.504 0.619 1.00 0.00 O ATOM 721 CB ILE A 53 -4.135 5.580 -1.102 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.477 5.161 -2.418 1.00 0.00 C ATOM 723 CG2 ILE A 53 -4.210 4.402 -0.142 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.852 3.765 -2.863 1.00 0.00 C ATOM 0 H ILE A 53 -4.742 7.874 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.175 5.359 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.524 6.358 -0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.758 5.870 -3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.394 5.220 -2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.208 4.011 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.641 4.730 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.835 3.620 -0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.349 3.535 -3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.546 3.046 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.931 3.706 -3.005 1.00 0.00 H new ATOM 736 N LEU A 54 -7.285 6.107 0.319 1.00 0.00 N ATOM 737 CA LEU A 54 -7.952 6.495 1.557 1.00 0.00 C ATOM 738 C LEU A 54 -7.432 5.678 2.735 1.00 0.00 C ATOM 739 O LEU A 54 -7.182 6.215 3.814 1.00 0.00 O ATOM 740 CB LEU A 54 -9.465 6.312 1.424 1.00 0.00 C ATOM 741 CG LEU A 54 -10.173 7.262 0.457 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.575 6.760 0.147 1.00 0.00 C ATOM 743 CD2 LEU A 54 -10.223 8.669 1.032 1.00 0.00 C ATOM 0 H LEU A 54 -7.780 5.398 -0.222 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.734 7.547 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.660 5.288 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.913 6.429 2.411 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.606 7.292 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.064 7.448 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.515 5.772 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.152 6.700 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.730 9.331 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.766 8.657 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.208 9.029 1.202 1.00 0.00 H new ATOM 755 N ALA A 55 -7.269 4.376 2.520 1.00 0.00 N ATOM 756 CA ALA A 55 -6.774 3.486 3.563 1.00 0.00 C ATOM 757 C ALA A 55 -5.929 2.363 2.970 1.00 0.00 C ATOM 758 O ALA A 55 -6.275 1.793 1.935 1.00 0.00 O ATOM 759 CB ALA A 55 -7.935 2.910 4.360 1.00 0.00 C ATOM 0 H ALA A 55 -7.473 3.915 1.633 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.141 4.068 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.551 2.247 5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.497 3.721 4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.590 2.348 3.694 1.00 0.00 H new ATOM 765 N ILE A 56 -4.820 2.052 3.632 1.00 0.00 N ATOM 766 CA ILE A 56 -3.926 0.997 3.170 1.00 0.00 C ATOM 767 C ILE A 56 -4.128 -0.285 3.971 1.00 0.00 C ATOM 768 O ILE A 56 -4.078 -0.275 5.201 1.00 0.00 O ATOM 769 CB ILE A 56 -2.450 1.425 3.272 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.166 2.588 2.319 1.00 0.00 C ATOM 771 CG2 ILE A 56 -1.535 0.248 2.967 1.00 0.00 C ATOM 772 CD1 ILE A 56 -0.819 3.239 2.544 1.00 0.00 C ATOM 0 H ILE A 56 -4.519 2.515 4.490 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.171 0.812 2.124 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.254 1.759 4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.219 2.227 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.947 3.340 2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.495 0.566 3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.722 -0.553 3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.731 -0.113 1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.686 4.055 1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.769 3.631 3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.030 2.501 2.401 1.00 0.00 H new ATOM 784 N ASP A 57 -4.356 -1.387 3.265 1.00 0.00 N ATOM 785 CA ASP A 57 -4.563 -2.679 3.909 1.00 0.00 C ATOM 786 C ASP A 57 -5.527 -2.551 5.084 1.00 0.00 C ATOM 787 O ASP A 57 -5.358 -3.205 6.113 1.00 0.00 O ATOM 788 CB ASP A 57 -3.229 -3.254 4.388 1.00 0.00 C ATOM 789 CG ASP A 57 -3.348 -4.699 4.831 1.00 0.00 C ATOM 790 OD1 ASP A 57 -4.016 -5.483 4.125 1.00 0.00 O ATOM 791 OD2 ASP A 57 -2.771 -5.045 5.883 1.00 0.00 O ATOM 0 H ASP A 57 -4.402 -1.412 2.246 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.999 -3.357 3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.496 -3.182 3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.854 -2.653 5.216 1.00 0.00 H new ATOM 796 N GLY A 58 -6.539 -1.703 4.924 1.00 0.00 N ATOM 797 CA GLY A 58 -7.514 -1.504 5.980 1.00 0.00 C ATOM 798 C GLY A 58 -7.008 -0.581 7.070 1.00 0.00 C ATOM 799 O GLY A 58 -7.258 -0.810 8.254 1.00 0.00 O ATOM 0 H GLY A 58 -6.701 -1.151 4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.428 -1.090 5.553 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.774 -2.468 6.417 1.00 0.00 H new ATOM 803 N PHE A 59 -6.293 0.466 6.672 1.00 0.00 N ATOM 804 CA PHE A 59 -5.748 1.427 7.624 1.00 0.00 C ATOM 805 C PHE A 59 -5.697 2.826 7.017 1.00 0.00 C ATOM 806 O PHE A 59 -4.865 3.111 6.157 1.00 0.00 O ATOM 807 CB PHE A 59 -4.347 0.999 8.067 1.00 0.00 C ATOM 808 CG PHE A 59 -4.305 -0.370 8.682 1.00 0.00 C ATOM 809 CD1 PHE A 59 -4.946 -0.625 9.884 1.00 0.00 C ATOM 810 CD2 PHE A 59 -3.624 -1.403 8.058 1.00 0.00 C ATOM 811 CE1 PHE A 59 -4.907 -1.884 10.452 1.00 0.00 C ATOM 812 CE2 PHE A 59 -3.583 -2.665 8.622 1.00 0.00 C ATOM 813 CZ PHE A 59 -4.226 -2.906 9.820 1.00 0.00 C ATOM 0 H PHE A 59 -6.077 0.671 5.696 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.405 1.452 8.493 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.679 1.022 7.206 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.965 1.724 8.786 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.482 0.169 10.382 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.120 -1.220 7.121 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.409 -2.069 11.390 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.048 -3.462 8.126 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.196 -3.891 10.262 1.00 0.00 H new ATOM 823 N GLY A 60 -6.595 3.695 7.471 1.00 0.00 N ATOM 824 CA GLY A 60 -6.637 5.053 6.962 1.00 0.00 C ATOM 825 C GLY A 60 -5.272 5.714 6.960 1.00 0.00 C ATOM 826 O GLY A 60 -4.487 5.536 7.892 1.00 0.00 O ATOM 0 H GLY A 60 -7.294 3.482 8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.035 5.045 5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.323 5.644 7.569 1.00 0.00 H new ATOM 830 N THR A 61 -4.987 6.478 5.910 1.00 0.00 N ATOM 831 CA THR A 61 -3.708 7.165 5.789 1.00 0.00 C ATOM 832 C THR A 61 -3.808 8.604 6.282 1.00 0.00 C ATOM 833 O THR A 61 -3.230 9.513 5.688 1.00 0.00 O ATOM 834 CB THR A 61 -3.206 7.166 4.333 1.00 0.00 C ATOM 835 OG1 THR A 61 -3.954 8.110 3.558 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.333 5.782 3.716 1.00 0.00 C ATOM 0 H THR A 61 -5.626 6.636 5.131 1.00 0.00 H new ATOM 0 HA THR A 61 -2.997 6.620 6.410 1.00 0.00 H new ATOM 0 HB THR A 61 -2.154 7.450 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.724 9.020 3.840 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.972 5.808 2.688 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.739 5.071 4.291 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.378 5.474 3.726 1.00 0.00 H new ATOM 844 N GLU A 62 -4.544 8.802 7.371 1.00 0.00 N ATOM 845 CA GLU A 62 -4.719 10.132 7.942 1.00 0.00 C ATOM 846 C GLU A 62 -3.480 10.555 8.726 1.00 0.00 C ATOM 847 O GLU A 62 -3.218 11.745 8.900 1.00 0.00 O ATOM 848 CB GLU A 62 -5.948 10.162 8.854 1.00 0.00 C ATOM 849 CG GLU A 62 -5.858 9.203 10.029 1.00 0.00 C ATOM 850 CD GLU A 62 -6.892 9.493 11.099 1.00 0.00 C ATOM 851 OE1 GLU A 62 -6.949 10.646 11.573 1.00 0.00 O ATOM 852 OE2 GLU A 62 -7.645 8.565 11.462 1.00 0.00 O ATOM 0 H GLU A 62 -5.028 8.059 7.875 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.866 10.835 7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.084 11.175 9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.833 9.920 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.988 8.182 9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.861 9.263 10.466 1.00 0.00 H new ATOM 859 N SER A 63 -2.721 9.570 9.197 1.00 0.00 N ATOM 860 CA SER A 63 -1.511 9.839 9.966 1.00 0.00 C ATOM 861 C SER A 63 -0.346 8.995 9.459 1.00 0.00 C ATOM 862 O SER A 63 0.637 8.785 10.168 1.00 0.00 O ATOM 863 CB SER A 63 -1.752 9.556 11.450 1.00 0.00 C ATOM 864 OG SER A 63 -0.739 10.140 12.252 1.00 0.00 O ATOM 0 H SER A 63 -2.922 8.580 9.060 1.00 0.00 H new ATOM 0 HA SER A 63 -1.256 10.891 9.840 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.725 9.949 11.745 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.778 8.479 11.619 1.00 0.00 H new ATOM 0 HG SER A 63 0.140 9.921 11.879 1.00 0.00 H new ATOM 870 N MET A 64 -0.465 8.514 8.225 1.00 0.00 N ATOM 871 CA MET A 64 0.579 7.694 7.622 1.00 0.00 C ATOM 872 C MET A 64 1.384 8.499 6.607 1.00 0.00 C ATOM 873 O MET A 64 0.870 8.886 5.556 1.00 0.00 O ATOM 874 CB MET A 64 -0.035 6.467 6.945 1.00 0.00 C ATOM 875 CG MET A 64 0.796 5.930 5.791 1.00 0.00 C ATOM 876 SD MET A 64 0.580 4.156 5.546 1.00 0.00 S ATOM 877 CE MET A 64 -1.207 4.032 5.534 1.00 0.00 C ATOM 0 H MET A 64 -1.273 8.678 7.624 1.00 0.00 H new ATOM 0 HA MET A 64 1.252 7.365 8.414 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.163 5.679 7.687 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.029 6.724 6.578 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.522 6.455 4.876 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.849 6.142 5.977 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.506 3.044 5.885 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.629 4.793 6.190 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.575 4.183 4.519 1.00 0.00 H new ATOM 887 N THR A 65 2.650 8.749 6.926 1.00 0.00 N ATOM 888 CA THR A 65 3.525 9.510 6.043 1.00 0.00 C ATOM 889 C THR A 65 3.990 8.661 4.866 1.00 0.00 C ATOM 890 O THR A 65 3.819 7.441 4.861 1.00 0.00 O ATOM 891 CB THR A 65 4.759 10.041 6.797 1.00 0.00 C ATOM 892 OG1 THR A 65 5.553 8.947 7.269 1.00 0.00 O ATOM 893 CG2 THR A 65 4.342 10.915 7.970 1.00 0.00 C ATOM 0 H THR A 65 3.092 8.435 7.790 1.00 0.00 H new ATOM 0 HA THR A 65 2.944 10.354 5.672 1.00 0.00 H new ATOM 0 HB THR A 65 5.347 10.645 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.052 8.448 7.948 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.230 11.278 8.487 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.763 11.763 7.604 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.734 10.331 8.661 1.00 0.00 H new ATOM 901 N HIS A 66 4.578 9.313 3.868 1.00 0.00 N ATOM 902 CA HIS A 66 5.069 8.616 2.684 1.00 0.00 C ATOM 903 C HIS A 66 5.886 7.389 3.075 1.00 0.00 C ATOM 904 O HIS A 66 5.603 6.276 2.632 1.00 0.00 O ATOM 905 CB HIS A 66 5.919 9.557 1.829 1.00 0.00 C ATOM 906 CG HIS A 66 5.873 9.242 0.365 1.00 0.00 C ATOM 907 ND1 HIS A 66 4.727 9.356 -0.394 1.00 0.00 N ATOM 908 CD2 HIS A 66 6.841 8.815 -0.479 1.00 0.00 C ATOM 909 CE1 HIS A 66 4.992 9.011 -1.641 1.00 0.00 C ATOM 910 NE2 HIS A 66 6.268 8.679 -1.720 1.00 0.00 N ATOM 0 H HIS A 66 4.726 10.322 3.855 1.00 0.00 H new ATOM 0 HA HIS A 66 4.207 8.287 2.103 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.579 10.581 1.983 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.953 9.510 2.170 1.00 0.00 H new ATOM 0 HD1 HIS A 66 3.817 9.659 -0.047 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.872 8.618 -0.224 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.285 9.002 -2.458 1.00 0.00 H new ATOM 919 N ALA A 67 6.901 7.599 3.908 1.00 0.00 N ATOM 920 CA ALA A 67 7.757 6.510 4.359 1.00 0.00 C ATOM 921 C ALA A 67 6.932 5.370 4.947 1.00 0.00 C ATOM 922 O ALA A 67 7.156 4.202 4.630 1.00 0.00 O ATOM 923 CB ALA A 67 8.762 7.018 5.382 1.00 0.00 C ATOM 0 H ALA A 67 7.150 8.514 4.284 1.00 0.00 H new ATOM 0 HA ALA A 67 8.298 6.124 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.395 6.194 5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.381 7.793 4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.231 7.432 6.239 1.00 0.00 H new ATOM 929 N ASP A 68 5.979 5.717 5.804 1.00 0.00 N ATOM 930 CA ASP A 68 5.119 4.723 6.436 1.00 0.00 C ATOM 931 C ASP A 68 4.466 3.826 5.390 1.00 0.00 C ATOM 932 O ASP A 68 4.486 2.601 5.508 1.00 0.00 O ATOM 933 CB ASP A 68 4.045 5.409 7.281 1.00 0.00 C ATOM 934 CG ASP A 68 4.492 5.637 8.712 1.00 0.00 C ATOM 935 OD1 ASP A 68 5.289 6.570 8.943 1.00 0.00 O ATOM 936 OD2 ASP A 68 4.043 4.883 9.600 1.00 0.00 O ATOM 0 H ASP A 68 5.782 6.680 6.078 1.00 0.00 H new ATOM 0 HA ASP A 68 5.738 4.103 7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.786 6.366 6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.141 4.800 7.278 1.00 0.00 H new ATOM 941 N ALA A 69 3.886 4.445 4.367 1.00 0.00 N ATOM 942 CA ALA A 69 3.226 3.703 3.299 1.00 0.00 C ATOM 943 C ALA A 69 4.072 2.515 2.853 1.00 0.00 C ATOM 944 O ALA A 69 3.585 1.388 2.781 1.00 0.00 O ATOM 945 CB ALA A 69 2.937 4.620 2.120 1.00 0.00 C ATOM 0 H ALA A 69 3.860 5.458 4.255 1.00 0.00 H new ATOM 0 HA ALA A 69 2.282 3.319 3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.444 4.053 1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.287 5.433 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.873 5.032 1.741 1.00 0.00 H new ATOM 951 N GLN A 70 5.341 2.777 2.554 1.00 0.00 N ATOM 952 CA GLN A 70 6.253 1.728 2.114 1.00 0.00 C ATOM 953 C GLN A 70 6.306 0.591 3.128 1.00 0.00 C ATOM 954 O GLN A 70 6.323 -0.583 2.759 1.00 0.00 O ATOM 955 CB GLN A 70 7.655 2.301 1.898 1.00 0.00 C ATOM 956 CG GLN A 70 7.686 3.497 0.961 1.00 0.00 C ATOM 957 CD GLN A 70 7.019 3.214 -0.370 1.00 0.00 C ATOM 958 OE1 GLN A 70 6.860 2.058 -0.765 1.00 0.00 O ATOM 959 NE2 GLN A 70 6.623 4.270 -1.071 1.00 0.00 N ATOM 0 H GLN A 70 5.760 3.705 2.608 1.00 0.00 H new ATOM 0 HA GLN A 70 5.881 1.330 1.170 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.071 2.594 2.862 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.300 1.519 1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.190 4.341 1.439 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.721 3.792 0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.775 5.210 -0.706 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.167 4.141 -1.974 1.00 0.00 H new ATOM 968 N ASP A 71 6.333 0.947 4.408 1.00 0.00 N ATOM 969 CA ASP A 71 6.384 -0.044 5.477 1.00 0.00 C ATOM 970 C ASP A 71 5.059 -0.792 5.587 1.00 0.00 C ATOM 971 O ASP A 71 4.965 -1.810 6.273 1.00 0.00 O ATOM 972 CB ASP A 71 6.717 0.629 6.809 1.00 0.00 C ATOM 973 CG ASP A 71 8.209 0.690 7.070 1.00 0.00 C ATOM 974 OD1 ASP A 71 8.796 -0.360 7.403 1.00 0.00 O ATOM 975 OD2 ASP A 71 8.789 1.788 6.942 1.00 0.00 O ATOM 0 H ASP A 71 6.320 1.915 4.730 1.00 0.00 H new ATOM 0 HA ASP A 71 7.167 -0.763 5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.309 1.640 6.814 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.231 0.085 7.619 1.00 0.00 H new ATOM 980 N ARG A 72 4.037 -0.280 4.908 1.00 0.00 N ATOM 981 CA ARG A 72 2.717 -0.898 4.932 1.00 0.00 C ATOM 982 C ARG A 72 2.508 -1.781 3.706 1.00 0.00 C ATOM 983 O ARG A 72 1.883 -2.839 3.790 1.00 0.00 O ATOM 984 CB ARG A 72 1.629 0.176 4.992 1.00 0.00 C ATOM 985 CG ARG A 72 1.333 0.665 6.400 1.00 0.00 C ATOM 986 CD ARG A 72 0.311 -0.220 7.095 1.00 0.00 C ATOM 987 NE ARG A 72 0.276 0.010 8.537 1.00 0.00 N ATOM 988 CZ ARG A 72 1.163 -0.499 9.384 1.00 0.00 C ATOM 989 NH1 ARG A 72 2.149 -1.264 8.936 1.00 0.00 N ATOM 990 NH2 ARG A 72 1.065 -0.244 10.682 1.00 0.00 N ATOM 0 H ARG A 72 4.098 0.561 4.335 1.00 0.00 H new ATOM 0 HA ARG A 72 2.652 -1.522 5.823 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.933 1.024 4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.713 -0.222 4.555 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.255 0.683 6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.961 1.689 6.360 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.677 -0.032 6.674 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.546 -1.266 6.901 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.471 0.594 8.914 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.227 -1.463 7.939 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.829 -1.654 9.589 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.308 0.344 11.031 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.747 -0.636 11.332 1.00 0.00 H new ATOM 1004 N ILE A 73 3.034 -1.340 2.568 1.00 0.00 N ATOM 1005 CA ILE A 73 2.906 -2.090 1.326 1.00 0.00 C ATOM 1006 C ILE A 73 3.825 -3.307 1.321 1.00 0.00 C ATOM 1007 O ILE A 73 3.496 -4.346 0.748 1.00 0.00 O ATOM 1008 CB ILE A 73 3.228 -1.213 0.102 1.00 0.00 C ATOM 1009 CG1 ILE A 73 2.222 -0.065 -0.009 1.00 0.00 C ATOM 1010 CG2 ILE A 73 3.225 -2.051 -1.167 1.00 0.00 C ATOM 1011 CD1 ILE A 73 2.788 1.173 -0.668 1.00 0.00 C ATOM 0 H ILE A 73 3.553 -0.466 2.481 1.00 0.00 H new ATOM 0 HA ILE A 73 1.869 -2.420 1.263 1.00 0.00 H new ATOM 0 HB ILE A 73 4.224 -0.788 0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.356 -0.405 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.867 0.194 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.454 -1.416 -2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.976 -2.836 -1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.242 -2.502 -1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.020 1.945 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.636 1.538 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.117 0.929 -1.678 1.00 0.00 H new ATOM 1023 N LYS A 74 4.980 -3.172 1.964 1.00 0.00 N ATOM 1024 CA LYS A 74 5.947 -4.260 2.038 1.00 0.00 C ATOM 1025 C LYS A 74 5.500 -5.319 3.041 1.00 0.00 C ATOM 1026 O LYS A 74 5.738 -6.510 2.847 1.00 0.00 O ATOM 1027 CB LYS A 74 7.325 -3.720 2.430 1.00 0.00 C ATOM 1028 CG LYS A 74 7.421 -3.299 3.886 1.00 0.00 C ATOM 1029 CD LYS A 74 8.865 -3.093 4.313 1.00 0.00 C ATOM 1030 CE LYS A 74 9.458 -1.842 3.683 1.00 0.00 C ATOM 1031 NZ LYS A 74 10.859 -1.607 4.129 1.00 0.00 N ATOM 0 H LYS A 74 5.269 -2.318 2.442 1.00 0.00 H new ATOM 0 HA LYS A 74 6.011 -4.722 1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.076 -4.485 2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.565 -2.866 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.861 -2.376 4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.959 -4.059 4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.917 -3.015 5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.458 -3.962 4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.433 -1.936 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.845 -0.979 3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.227 -0.745 3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.880 -1.492 5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.450 -2.419 3.859 1.00 0.00 H new ATOM 1045 N ALA A 75 4.850 -4.875 4.112 1.00 0.00 N ATOM 1046 CA ALA A 75 4.367 -5.785 5.143 1.00 0.00 C ATOM 1047 C ALA A 75 2.922 -6.195 4.880 1.00 0.00 C ATOM 1048 O ALA A 75 2.217 -6.636 5.787 1.00 0.00 O ATOM 1049 CB ALA A 75 4.494 -5.141 6.516 1.00 0.00 C ATOM 0 H ALA A 75 4.646 -3.891 4.288 1.00 0.00 H new ATOM 0 HA ALA A 75 4.982 -6.684 5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.130 -5.831 7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.540 -4.904 6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.903 -4.225 6.544 1.00 0.00 H new ATOM 1055 N ALA A 76 2.487 -6.045 3.633 1.00 0.00 N ATOM 1056 CA ALA A 76 1.126 -6.401 3.251 1.00 0.00 C ATOM 1057 C ALA A 76 0.826 -7.859 3.584 1.00 0.00 C ATOM 1058 O ALA A 76 1.645 -8.548 4.192 1.00 0.00 O ATOM 1059 CB ALA A 76 0.909 -6.141 1.768 1.00 0.00 C ATOM 0 H ALA A 76 3.057 -5.679 2.870 1.00 0.00 H new ATOM 0 HA ALA A 76 0.439 -5.776 3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.112 -6.411 1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.073 -5.084 1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.610 -6.741 1.187 1.00 0.00 H new ATOM 1065 N SER A 77 -0.353 -8.322 3.182 1.00 0.00 N ATOM 1066 CA SER A 77 -0.763 -9.697 3.442 1.00 0.00 C ATOM 1067 C SER A 77 -1.099 -10.419 2.141 1.00 0.00 C ATOM 1068 O SER A 77 -1.075 -9.823 1.063 1.00 0.00 O ATOM 1069 CB SER A 77 -1.973 -9.723 4.379 1.00 0.00 C ATOM 1070 OG SER A 77 -1.576 -9.550 5.728 1.00 0.00 O ATOM 0 H SER A 77 -1.041 -7.765 2.675 1.00 0.00 H new ATOM 0 HA SER A 77 0.069 -10.213 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.672 -8.935 4.098 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.501 -10.670 4.270 1.00 0.00 H new ATOM 0 HG SER A 77 -2.367 -9.569 6.307 1.00 0.00 H new ATOM 1076 N TYR A 78 -1.411 -11.705 2.249 1.00 0.00 N ATOM 1077 CA TYR A 78 -1.749 -12.511 1.081 1.00 0.00 C ATOM 1078 C TYR A 78 -2.582 -11.707 0.087 1.00 0.00 C ATOM 1079 O TYR A 78 -2.529 -11.946 -1.119 1.00 0.00 O ATOM 1080 CB TYR A 78 -2.513 -13.766 1.505 1.00 0.00 C ATOM 1081 CG TYR A 78 -3.402 -14.329 0.420 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -2.889 -15.172 -0.559 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -4.756 -14.020 0.374 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -3.698 -15.688 -1.553 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -5.573 -14.533 -0.615 1.00 0.00 C ATOM 1086 CZ TYR A 78 -5.039 -15.365 -1.577 1.00 0.00 C ATOM 1087 OH TYR A 78 -5.849 -15.879 -2.564 1.00 0.00 O ATOM 0 H TYR A 78 -1.437 -12.213 3.133 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.820 -12.806 0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.798 -14.530 1.811 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.123 -13.532 2.378 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.840 -15.428 -0.542 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.177 -13.367 1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.283 -16.340 -2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.624 -14.284 -0.635 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.765 -15.555 -2.437 1.00 0.00 H new ATOM 1097 N GLN A 79 -3.348 -10.752 0.604 1.00 0.00 N ATOM 1098 CA GLN A 79 -4.192 -9.912 -0.238 1.00 0.00 C ATOM 1099 C GLN A 79 -4.094 -8.449 0.182 1.00 0.00 C ATOM 1100 O GLN A 79 -4.292 -8.112 1.350 1.00 0.00 O ATOM 1101 CB GLN A 79 -5.647 -10.379 -0.165 1.00 0.00 C ATOM 1102 CG GLN A 79 -6.248 -10.284 1.228 1.00 0.00 C ATOM 1103 CD GLN A 79 -7.666 -10.817 1.290 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -7.885 -12.028 1.324 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -8.638 -9.913 1.305 1.00 0.00 N ATOM 0 H GLN A 79 -3.402 -10.541 1.600 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.840 -10.001 -1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.246 -9.781 -0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.706 -11.412 -0.507 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.624 -10.840 1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.241 -9.243 1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.411 -8.919 1.275 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.612 -10.212 1.346 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.788 -7.583 -0.778 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.663 -6.155 -0.509 1.00 0.00 C ATOM 1116 C LEU A 80 -5.006 -5.450 -0.677 1.00 0.00 C ATOM 1117 O LEU A 80 -5.604 -5.481 -1.753 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.625 -5.528 -1.442 1.00 0.00 C ATOM 1119 CG LEU A 80 -2.300 -4.055 -1.192 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -1.756 -3.860 0.215 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.307 -3.545 -2.226 1.00 0.00 C ATOM 0 H LEU A 80 -3.622 -7.845 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.335 -6.032 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.701 -6.102 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.978 -5.632 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.220 -3.478 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.530 -2.806 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.500 -4.186 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.847 -4.448 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.087 -2.495 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.387 -4.126 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.735 -3.648 -3.223 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.472 -4.813 0.392 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.743 -4.099 0.363 1.00 0.00 C ATOM 1135 C CYS A 81 -6.519 -2.590 0.361 1.00 0.00 C ATOM 1136 O CYS A 81 -6.058 -2.019 1.350 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.603 -4.497 1.563 1.00 0.00 C ATOM 1138 SG CYS A 81 -8.556 -6.014 1.318 1.00 0.00 S ATOM 0 H CYS A 81 -4.988 -4.777 1.289 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.264 -4.372 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.958 -4.622 2.433 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -8.290 -3.682 1.790 1.00 0.00 H new ATOM 0 HG CYS A 81 -9.249 -6.269 2.388 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.846 -1.950 -0.757 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.679 -0.507 -0.889 1.00 0.00 C ATOM 1146 C LEU A 82 -8.000 0.162 -1.256 1.00 0.00 C ATOM 1147 O LEU A 82 -8.582 -0.120 -2.303 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.622 -0.191 -1.949 1.00 0.00 C ATOM 1149 CG LEU A 82 -4.198 -0.652 -1.635 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -3.311 -0.519 -2.863 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.625 0.144 -0.472 1.00 0.00 C ATOM 0 H LEU A 82 -7.228 -2.408 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.349 -0.114 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.931 -0.648 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.607 0.887 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.231 -1.703 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.302 -0.852 -2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.712 -1.133 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.283 0.523 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.611 -0.197 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.605 1.203 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.247 -0.003 0.411 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.467 1.053 -0.387 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.717 1.766 -0.620 1.00 0.00 C ATOM 1165 C LYS A 83 -9.465 3.079 -1.355 1.00 0.00 C ATOM 1166 O LYS A 83 -8.703 3.926 -0.888 1.00 0.00 O ATOM 1167 CB LYS A 83 -10.426 2.041 0.708 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.747 2.774 0.552 1.00 0.00 C ATOM 1169 CD LYS A 83 -12.437 2.972 1.891 1.00 0.00 C ATOM 1170 CE LYS A 83 -13.380 4.164 1.861 1.00 0.00 C ATOM 1171 NZ LYS A 83 -14.469 4.036 2.869 1.00 0.00 N ATOM 0 H LYS A 83 -7.998 1.298 0.485 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.354 1.138 -1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.604 1.094 1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.767 2.629 1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.573 3.743 0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.400 2.211 -0.115 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.995 2.072 2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.688 3.119 2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.816 5.078 2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.815 4.258 0.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.090 4.868 2.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.023 3.178 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.055 3.972 3.821 1.00 0.00 H new ATOM 1185 N ILE A 84 -10.110 3.241 -2.505 1.00 0.00 N ATOM 1186 CA ILE A 84 -9.957 4.451 -3.303 1.00 0.00 C ATOM 1187 C ILE A 84 -11.225 5.298 -3.265 1.00 0.00 C ATOM 1188 O ILE A 84 -12.321 4.784 -3.041 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.618 4.121 -4.768 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -10.534 3.013 -5.290 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -8.158 3.712 -4.894 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -10.614 2.956 -6.799 1.00 0.00 C ATOM 0 H ILE A 84 -10.744 2.549 -2.905 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.132 5.014 -2.866 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.779 5.014 -5.372 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.178 2.053 -4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.536 3.161 -4.886 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.933 3.482 -5.935 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.521 4.530 -4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.973 2.831 -4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.281 2.147 -7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.999 3.902 -7.179 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.620 2.777 -7.210 1.00 0.00 H new ATOM 1204 N ASP A 85 -11.068 6.598 -3.487 1.00 0.00 N ATOM 1205 CA ASP A 85 -12.201 7.517 -3.481 1.00 0.00 C ATOM 1206 C ASP A 85 -13.108 7.269 -4.682 1.00 0.00 C ATOM 1207 O ASP A 85 -14.321 7.469 -4.608 1.00 0.00 O ATOM 1208 CB ASP A 85 -11.710 8.966 -3.488 1.00 0.00 C ATOM 1209 CG ASP A 85 -12.741 9.923 -4.053 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -13.643 10.337 -3.295 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -12.645 10.259 -5.252 1.00 0.00 O ATOM 0 H ASP A 85 -10.168 7.040 -3.673 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.775 7.340 -2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.458 9.266 -2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.795 9.034 -4.076 1.00 0.00 H new ATOM 1216 N ARG A 86 -12.512 6.832 -5.787 1.00 0.00 N ATOM 1217 CA ARG A 86 -13.266 6.559 -7.005 1.00 0.00 C ATOM 1218 C ARG A 86 -13.668 7.857 -7.698 1.00 0.00 C ATOM 1219 O ARG A 86 -14.841 8.073 -8.001 1.00 0.00 O ATOM 1220 CB ARG A 86 -14.513 5.733 -6.683 1.00 0.00 C ATOM 1221 CG ARG A 86 -15.051 4.954 -7.872 1.00 0.00 C ATOM 1222 CD ARG A 86 -14.327 3.627 -8.042 1.00 0.00 C ATOM 1223 NE ARG A 86 -13.117 3.764 -8.848 1.00 0.00 N ATOM 1224 CZ ARG A 86 -13.122 4.118 -10.128 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -14.268 4.369 -10.745 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -11.979 4.221 -10.794 1.00 0.00 N ATOM 0 H ARG A 86 -11.510 6.660 -5.864 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.626 5.991 -7.679 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.279 5.036 -5.878 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.293 6.398 -6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -16.117 4.773 -7.738 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -14.940 5.549 -8.779 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.066 3.228 -7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.996 2.906 -8.512 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.218 3.577 -8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.149 4.290 -10.237 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.269 4.641 -11.728 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.095 4.028 -10.323 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.984 4.493 -11.777 1.00 0.00 H new