USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 685 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 86 ASN : amide:sc= -3.81! C(o=-6.1!,f=-4.8!) USER MOD Set 1.2: A 108 GLN : amide:sc= -2.32 K(o=-6.1,f=-19!) USER MOD Set 2.1: A 58 MET CE :methyl 151:sc= -0.697 (180deg=-1.96) USER MOD Set 2.2: A 59 HIS : no HE2:sc= -3.55! C(o=-4.2!,f=-9.7!) USER MOD Set 3.1: A 45 SER OG : rot 60:sc= -4.77! USER MOD Set 3.2: A 95 ASN : amide:sc= -13.1! C(o=-18!,f=-30!) USER MOD Set 4.1: A 18 ASN : amide:sc= -3.13! K(o=-9.9!,f=-1.5) USER MOD Set 4.2: A 43 ASN : amide:sc= -6.74! K(o=-9.9!,f=-1.5) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.82) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00249 USER MOD Single : A 44 ASN : amide:sc= -0.468! X(o=-0.47!,f=-0.92) USER MOD Single : A 48 THR OG1 : rot -5:sc= -1.43 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-3.1!) USER MOD Single : A 66 HIS : no HD1:sc= -0.625 X(o=-0.62,f=-0.37) USER MOD Single : A 67 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.22) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -11.3! C(o=-11!,f=-7.4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 38:sc= 0.279 USER MOD Single : A 78 GLN : amide:sc=-0.00874 X(o=-0.0087,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -80:sc= -1.16 USER MOD Single : A 88 SER OG : rot 180:sc= -0.777 USER MOD Single : A 92 MET CE :methyl -121:sc= -10.2! (180deg=-13.6!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 157:sc= -0.0773 (180deg=-0.508) USER MOD Single : A 100 SER OG : rot -167:sc= 1.15 USER MOD Single : A 103 SER OG : rot 75:sc= -2.1! USER MOD Single : A 106 SER OG : rot -86:sc= 0.879 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 -27.700 -10.887 -7.011 1.00 0.00 N ATOM 133 CA VAL A 13 -27.454 -9.458 -7.103 1.00 0.00 C ATOM 134 C VAL A 13 -25.988 -9.175 -6.766 1.00 0.00 C ATOM 135 O VAL A 13 -25.541 -9.443 -5.652 1.00 0.00 O ATOM 136 CB VAL A 13 -28.431 -8.700 -6.203 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.273 -9.123 -4.741 1.00 0.00 C ATOM 138 CG2 VAL A 13 -28.258 -7.187 -6.357 1.00 0.00 C ATOM 0 HA VAL A 13 -27.628 -9.105 -8.119 1.00 0.00 H new ATOM 0 HB VAL A 13 -29.443 -8.956 -6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -28.980 -8.569 -4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -28.470 -10.191 -4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -27.257 -8.911 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -28.965 -6.672 -5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -27.241 -6.907 -6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -28.445 -6.903 -7.393 1.00 0.00 H new ATOM 148 N TYR A 14 -25.282 -8.637 -7.749 1.00 0.00 N ATOM 149 CA TYR A 14 -23.876 -8.315 -7.571 1.00 0.00 C ATOM 150 C TYR A 14 -23.695 -6.845 -7.186 1.00 0.00 C ATOM 151 O TYR A 14 -24.652 -6.180 -6.793 1.00 0.00 O ATOM 152 CB TYR A 14 -23.212 -8.560 -8.927 1.00 0.00 C ATOM 153 CG TYR A 14 -23.604 -9.887 -9.580 1.00 0.00 C ATOM 154 CD1 TYR A 14 -22.867 -11.026 -9.327 1.00 0.00 C ATOM 155 CD2 TYR A 14 -24.695 -9.945 -10.423 1.00 0.00 C ATOM 156 CE1 TYR A 14 -23.236 -12.274 -9.943 1.00 0.00 C ATOM 157 CE2 TYR A 14 -25.064 -11.193 -11.039 1.00 0.00 C ATOM 158 CZ TYR A 14 -24.316 -12.296 -10.768 1.00 0.00 C ATOM 159 OH TYR A 14 -24.665 -13.476 -11.349 1.00 0.00 O ATOM 0 H TYR A 14 -25.657 -8.416 -8.671 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.441 -8.922 -6.777 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.473 -7.744 -9.601 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.130 -8.535 -8.800 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -22.013 -10.981 -8.667 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -25.272 -9.054 -10.621 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -22.667 -13.172 -9.754 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -25.915 -11.252 -11.701 1.00 0.00 H new ATOM 0 HH TYR A 14 -25.456 -13.342 -11.912 1.00 0.00 H new ATOM 169 N ASP A 15 -22.461 -6.381 -7.314 1.00 0.00 N ATOM 170 CA ASP A 15 -22.142 -5.002 -6.985 1.00 0.00 C ATOM 171 C ASP A 15 -20.643 -4.882 -6.703 1.00 0.00 C ATOM 172 O ASP A 15 -20.243 -4.354 -5.667 1.00 0.00 O ATOM 173 CB ASP A 15 -22.896 -4.545 -5.734 1.00 0.00 C ATOM 174 CG ASP A 15 -24.193 -3.780 -6.004 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.207 -3.019 -6.995 1.00 0.00 O ATOM 176 OD2 ASP A 15 -25.141 -3.974 -5.213 1.00 0.00 O ATOM 0 H ASP A 15 -21.670 -6.935 -7.641 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.434 -4.379 -7.830 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.128 -5.421 -5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.236 -3.912 -5.141 1.00 0.00 H new ATOM 181 N VAL A 16 -19.855 -5.382 -7.644 1.00 0.00 N ATOM 182 CA VAL A 16 -18.409 -5.338 -7.510 1.00 0.00 C ATOM 183 C VAL A 16 -18.012 -5.879 -6.135 1.00 0.00 C ATOM 184 O VAL A 16 -18.843 -5.957 -5.231 1.00 0.00 O ATOM 185 CB VAL A 16 -17.903 -3.917 -7.763 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.220 -3.468 -9.191 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.482 -2.939 -6.739 1.00 0.00 C ATOM 0 H VAL A 16 -20.191 -5.820 -8.502 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.936 -5.974 -8.258 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.819 -3.921 -7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.850 -2.454 -9.344 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.738 -4.142 -9.900 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.299 -3.488 -9.348 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.107 -1.936 -6.941 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.570 -2.940 -6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.183 -3.243 -5.736 1.00 0.00 H new ATOM 197 N PRO A 17 -16.708 -6.247 -6.017 1.00 0.00 N ATOM 198 CA PRO A 17 -16.191 -6.778 -4.767 1.00 0.00 C ATOM 199 C PRO A 17 -16.006 -5.665 -3.733 1.00 0.00 C ATOM 200 O PRO A 17 -15.262 -4.714 -3.967 1.00 0.00 O ATOM 201 CB PRO A 17 -14.887 -7.464 -5.141 1.00 0.00 C ATOM 202 CG PRO A 17 -14.490 -6.896 -6.494 1.00 0.00 C ATOM 203 CD PRO A 17 -15.696 -6.169 -7.066 1.00 0.00 C ATOM 0 HA PRO A 17 -16.875 -7.482 -4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.116 -7.271 -4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.016 -8.545 -5.194 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.647 -6.213 -6.389 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.172 -7.694 -7.165 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.456 -5.134 -7.308 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.042 -6.640 -7.986 1.00 0.00 H new ATOM 211 N ASN A 18 -16.695 -5.822 -2.613 1.00 0.00 N ATOM 212 CA ASN A 18 -16.616 -4.842 -1.543 1.00 0.00 C ATOM 213 C ASN A 18 -15.151 -4.471 -1.304 1.00 0.00 C ATOM 214 O ASN A 18 -14.248 -5.172 -1.757 1.00 0.00 O ATOM 215 CB ASN A 18 -17.180 -5.406 -0.237 1.00 0.00 C ATOM 216 CG ASN A 18 -18.668 -5.078 -0.096 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.122 -4.549 0.905 1.00 0.00 O ATOM 218 ND2 ASN A 18 -19.400 -5.422 -1.152 1.00 0.00 N ATOM 0 H ASN A 18 -17.311 -6.613 -2.423 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.198 -3.970 -1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -17.038 -6.486 -0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.631 -4.993 0.609 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.405 -5.246 -1.155 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.957 -5.862 -1.958 1.00 0.00 H new ATOM 225 N PRO A 19 -14.957 -3.340 -0.574 1.00 0.00 N ATOM 226 CA PRO A 19 -13.617 -2.867 -0.269 1.00 0.00 C ATOM 227 C PRO A 19 -12.968 -3.724 0.820 1.00 0.00 C ATOM 228 O PRO A 19 -13.660 -4.286 1.667 1.00 0.00 O ATOM 229 CB PRO A 19 -13.797 -1.416 0.145 1.00 0.00 C ATOM 230 CG PRO A 19 -15.266 -1.264 0.504 1.00 0.00 C ATOM 231 CD PRO A 19 -16.003 -2.485 -0.021 1.00 0.00 C ATOM 0 HA PRO A 19 -12.940 -2.943 -1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.160 -1.170 0.995 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.521 -0.742 -0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.388 -1.179 1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.674 -0.354 0.065 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.548 -2.991 0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.733 -2.210 -0.782 1.00 0.00 H new ATOM 239 N PRO A 20 -11.611 -3.798 0.760 1.00 0.00 N ATOM 240 CA PRO A 20 -10.861 -4.576 1.731 1.00 0.00 C ATOM 241 C PRO A 20 -10.797 -3.856 3.080 1.00 0.00 C ATOM 242 O PRO A 20 -11.238 -2.714 3.199 1.00 0.00 O ATOM 243 CB PRO A 20 -9.493 -4.779 1.100 1.00 0.00 C ATOM 244 CG PRO A 20 -9.373 -3.720 0.016 1.00 0.00 C ATOM 245 CD PRO A 20 -10.759 -3.145 -0.229 1.00 0.00 C ATOM 0 HA PRO A 20 -11.329 -5.535 1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.701 -4.671 1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.401 -5.780 0.680 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.683 -2.935 0.324 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.973 -4.155 -0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.766 -2.062 -0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.100 -3.352 -1.244 1.00 0.00 H new ATOM 253 N PHE A 21 -10.244 -4.554 4.061 1.00 0.00 N ATOM 254 CA PHE A 21 -10.117 -3.996 5.397 1.00 0.00 C ATOM 255 C PHE A 21 -8.911 -4.590 6.127 1.00 0.00 C ATOM 256 O PHE A 21 -8.305 -5.550 5.653 1.00 0.00 O ATOM 257 CB PHE A 21 -11.392 -4.363 6.159 1.00 0.00 C ATOM 258 CG PHE A 21 -11.867 -5.798 5.921 1.00 0.00 C ATOM 259 CD1 PHE A 21 -11.193 -6.839 6.481 1.00 0.00 C ATOM 260 CD2 PHE A 21 -12.962 -6.033 5.150 1.00 0.00 C ATOM 261 CE1 PHE A 21 -11.634 -8.171 6.261 1.00 0.00 C ATOM 262 CE2 PHE A 21 -13.403 -7.365 4.930 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.729 -8.406 5.490 1.00 0.00 C ATOM 0 H PHE A 21 -9.879 -5.501 3.958 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.976 -2.917 5.337 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.219 -4.220 7.226 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -12.187 -3.675 5.870 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.323 -6.652 7.093 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.496 -5.207 4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.100 -8.997 6.706 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.273 -7.552 4.318 1.00 0.00 H new ATOM 0 HZ PHE A 21 -13.064 -9.419 5.322 1.00 0.00 H new ATOM 273 N ASP A 22 -8.599 -3.996 7.269 1.00 0.00 N ATOM 274 CA ASP A 22 -7.477 -4.455 8.069 1.00 0.00 C ATOM 275 C ASP A 22 -6.172 -4.162 7.326 1.00 0.00 C ATOM 276 O ASP A 22 -5.135 -4.751 7.628 1.00 0.00 O ATOM 277 CB ASP A 22 -7.554 -5.963 8.313 1.00 0.00 C ATOM 278 CG ASP A 22 -7.297 -6.399 9.757 1.00 0.00 C ATOM 279 OD1 ASP A 22 -7.883 -5.758 10.656 1.00 0.00 O ATOM 280 OD2 ASP A 22 -6.521 -7.364 9.929 1.00 0.00 O ATOM 0 H ASP A 22 -9.104 -3.200 7.659 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.510 -3.933 9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.542 -6.314 8.014 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.830 -6.458 7.666 1.00 0.00 H new ATOM 285 N LEU A 23 -6.266 -3.252 6.367 1.00 0.00 N ATOM 286 CA LEU A 23 -5.106 -2.874 5.578 1.00 0.00 C ATOM 287 C LEU A 23 -3.943 -2.542 6.514 1.00 0.00 C ATOM 288 O LEU A 23 -4.106 -1.780 7.466 1.00 0.00 O ATOM 289 CB LEU A 23 -5.461 -1.741 4.613 1.00 0.00 C ATOM 290 CG LEU A 23 -5.382 -2.080 3.123 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.562 -2.955 2.696 1.00 0.00 C ATOM 292 CD2 LEU A 23 -5.276 -0.809 2.277 1.00 0.00 C ATOM 0 H LEU A 23 -7.128 -2.766 6.119 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.784 -3.706 4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.474 -1.405 4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.795 -0.901 4.810 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.474 -2.658 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.481 -3.181 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.551 -3.884 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.495 -2.424 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.221 -1.078 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.153 -0.184 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.378 -0.259 2.558 1.00 0.00 H new ATOM 304 N GLU A 24 -2.795 -3.132 6.213 1.00 0.00 N ATOM 305 CA GLU A 24 -1.606 -2.909 7.016 1.00 0.00 C ATOM 306 C GLU A 24 -0.356 -2.944 6.135 1.00 0.00 C ATOM 307 O GLU A 24 -0.381 -3.500 5.038 1.00 0.00 O ATOM 308 CB GLU A 24 -1.508 -3.933 8.148 1.00 0.00 C ATOM 309 CG GLU A 24 -1.862 -3.299 9.495 1.00 0.00 C ATOM 310 CD GLU A 24 -3.271 -3.701 9.937 1.00 0.00 C ATOM 311 OE1 GLU A 24 -3.391 -4.803 10.515 1.00 0.00 O ATOM 312 OE2 GLU A 24 -4.195 -2.898 9.687 1.00 0.00 O ATOM 0 H GLU A 24 -2.664 -3.764 5.424 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.679 -1.921 7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.180 -4.767 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.498 -4.340 8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.138 -3.609 10.249 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.797 -2.214 9.418 1.00 0.00 H new ATOM 319 N LEU A 25 0.709 -2.345 6.648 1.00 0.00 N ATOM 320 CA LEU A 25 1.966 -2.301 5.921 1.00 0.00 C ATOM 321 C LEU A 25 3.073 -2.905 6.788 1.00 0.00 C ATOM 322 O LEU A 25 3.443 -2.335 7.814 1.00 0.00 O ATOM 323 CB LEU A 25 2.263 -0.876 5.449 1.00 0.00 C ATOM 324 CG LEU A 25 1.536 -0.425 4.181 1.00 0.00 C ATOM 325 CD1 LEU A 25 0.920 0.963 4.367 1.00 0.00 C ATOM 326 CD2 LEU A 25 2.466 -0.481 2.967 1.00 0.00 C ATOM 0 H LEU A 25 0.727 -1.886 7.559 1.00 0.00 H new ATOM 0 HA LEU A 25 1.904 -2.905 5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.009 -0.187 6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.336 -0.787 5.280 1.00 0.00 H new ATOM 0 HG LEU A 25 0.717 -1.118 3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.409 1.260 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.205 0.936 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.707 1.683 4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.925 -0.155 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.320 0.176 3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.817 -1.503 2.824 1.00 0.00 H new ATOM 445 N VAL A 33 8.355 -3.033 0.402 1.00 0.00 N ATOM 446 CA VAL A 33 7.460 -3.286 1.519 1.00 0.00 C ATOM 447 C VAL A 33 6.242 -4.068 1.023 1.00 0.00 C ATOM 448 O VAL A 33 5.712 -3.784 -0.050 1.00 0.00 O ATOM 449 CB VAL A 33 7.088 -1.968 2.201 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.522 -0.969 1.190 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.105 -2.204 3.349 1.00 0.00 C ATOM 0 HA VAL A 33 7.954 -3.898 2.274 1.00 0.00 H new ATOM 0 HB VAL A 33 7.997 -1.539 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.266 -0.041 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.268 -0.767 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.628 -1.387 0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.857 -1.251 3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.197 -2.665 2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.560 -2.864 4.088 1.00 0.00 H new ATOM 461 N GLN A 34 5.833 -5.037 1.829 1.00 0.00 N ATOM 462 CA GLN A 34 4.687 -5.862 1.485 1.00 0.00 C ATOM 463 C GLN A 34 3.406 -5.259 2.066 1.00 0.00 C ATOM 464 O GLN A 34 3.360 -4.909 3.244 1.00 0.00 O ATOM 465 CB GLN A 34 4.883 -7.301 1.967 1.00 0.00 C ATOM 466 CG GLN A 34 3.691 -8.177 1.577 1.00 0.00 C ATOM 467 CD GLN A 34 4.120 -9.633 1.386 1.00 0.00 C ATOM 468 OE1 GLN A 34 4.659 -10.271 2.275 1.00 0.00 O ATOM 469 NE2 GLN A 34 3.851 -10.122 0.178 1.00 0.00 N ATOM 0 H GLN A 34 6.274 -5.269 2.719 1.00 0.00 H new ATOM 0 HA GLN A 34 4.594 -5.887 0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.797 -7.711 1.537 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.008 -7.312 3.050 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.924 -8.118 2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.245 -7.802 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.398 -9.534 -0.521 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.098 -11.085 -0.049 1.00 0.00 H new ATOM 478 N LEU A 35 2.398 -5.157 1.212 1.00 0.00 N ATOM 479 CA LEU A 35 1.121 -4.603 1.626 1.00 0.00 C ATOM 480 C LEU A 35 0.090 -5.729 1.727 1.00 0.00 C ATOM 481 O LEU A 35 -0.307 -6.305 0.715 1.00 0.00 O ATOM 482 CB LEU A 35 0.701 -3.467 0.690 1.00 0.00 C ATOM 483 CG LEU A 35 -0.722 -2.937 0.874 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.778 -1.892 1.990 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.282 -2.399 -0.444 1.00 0.00 C ATOM 0 H LEU A 35 2.440 -5.449 0.236 1.00 0.00 H new ATOM 0 HA LEU A 35 1.203 -4.155 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.396 -2.638 0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.809 -3.812 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.359 -3.768 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.801 -1.532 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.449 -2.342 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.124 -1.057 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.295 -2.029 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.651 -1.586 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.300 -3.198 -1.185 1.00 0.00 H new ATOM 497 N SER A 36 -0.315 -6.009 2.957 1.00 0.00 N ATOM 498 CA SER A 36 -1.292 -7.056 3.203 1.00 0.00 C ATOM 499 C SER A 36 -2.692 -6.449 3.316 1.00 0.00 C ATOM 500 O SER A 36 -2.933 -5.589 4.162 1.00 0.00 O ATOM 501 CB SER A 36 -0.950 -7.841 4.471 1.00 0.00 C ATOM 502 OG SER A 36 0.291 -8.531 4.354 1.00 0.00 O ATOM 0 H SER A 36 0.016 -5.529 3.794 1.00 0.00 H new ATOM 0 HA SER A 36 -1.270 -7.749 2.362 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.906 -7.158 5.319 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.745 -8.557 4.679 1.00 0.00 H new ATOM 0 HG SER A 36 0.474 -9.018 5.184 1.00 0.00 H new ATOM 508 N TRP A 37 -3.578 -6.920 2.451 1.00 0.00 N ATOM 509 CA TRP A 37 -4.947 -6.435 2.443 1.00 0.00 C ATOM 510 C TRP A 37 -5.878 -7.645 2.543 1.00 0.00 C ATOM 511 O TRP A 37 -5.460 -8.776 2.301 1.00 0.00 O ATOM 512 CB TRP A 37 -5.217 -5.574 1.207 1.00 0.00 C ATOM 513 CG TRP A 37 -5.071 -6.325 -0.118 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.001 -7.034 -0.771 1.00 0.00 C ATOM 515 CD2 TRP A 37 -3.881 -6.412 -0.930 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.500 -7.570 -1.940 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.170 -7.180 -2.040 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.602 -5.861 -0.733 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.232 -7.466 -3.039 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.677 -6.156 -1.741 1.00 0.00 C ATOM 521 CH2 TRP A 37 -1.952 -6.927 -2.864 1.00 0.00 C ATOM 0 H TRP A 37 -3.374 -7.633 1.750 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.130 -5.783 3.297 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.226 -5.168 1.273 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.531 -4.727 1.210 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.015 -7.169 -0.426 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.012 -8.146 -2.608 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.353 -5.258 0.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.482 -8.070 -3.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.679 -5.756 -1.639 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.182 -7.110 -3.599 1.00 0.00 H new ATOM 532 N THR A 38 -7.123 -7.365 2.900 1.00 0.00 N ATOM 533 CA THR A 38 -8.117 -8.416 3.036 1.00 0.00 C ATOM 534 C THR A 38 -9.378 -8.063 2.245 1.00 0.00 C ATOM 535 O THR A 38 -10.096 -7.129 2.599 1.00 0.00 O ATOM 536 CB THR A 38 -8.376 -8.633 4.528 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.095 -8.960 5.059 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.222 -9.878 4.801 1.00 0.00 C ATOM 0 H THR A 38 -7.466 -6.425 3.099 1.00 0.00 H new ATOM 0 HA THR A 38 -7.759 -9.355 2.614 1.00 0.00 H new ATOM 0 HB THR A 38 -8.877 -7.757 4.940 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.171 -9.115 6.024 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.376 -9.985 5.875 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.187 -9.778 4.304 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.707 -10.759 4.419 1.00 0.00 H new ATOM 546 N PRO A 39 -9.615 -8.849 1.160 1.00 0.00 N ATOM 547 CA PRO A 39 -10.777 -8.628 0.316 1.00 0.00 C ATOM 548 C PRO A 39 -12.053 -9.126 0.998 1.00 0.00 C ATOM 549 O PRO A 39 -12.231 -10.328 1.189 1.00 0.00 O ATOM 550 CB PRO A 39 -10.469 -9.365 -0.977 1.00 0.00 C ATOM 551 CG PRO A 39 -9.362 -10.351 -0.642 1.00 0.00 C ATOM 552 CD PRO A 39 -8.786 -9.963 0.710 1.00 0.00 C ATOM 0 HA PRO A 39 -10.962 -7.571 0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.352 -9.882 -1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.152 -8.671 -1.756 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.753 -11.368 -0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.587 -10.329 -1.408 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.827 -10.796 1.412 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.740 -9.669 0.625 1.00 0.00 H new ATOM 560 N GLY A 40 -12.908 -8.176 1.347 1.00 0.00 N ATOM 561 CA GLY A 40 -14.162 -8.503 2.004 1.00 0.00 C ATOM 562 C GLY A 40 -15.078 -9.299 1.073 1.00 0.00 C ATOM 563 O GLY A 40 -14.603 -10.038 0.212 1.00 0.00 O ATOM 0 H GLY A 40 -12.757 -7.180 1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.964 -9.081 2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.663 -7.587 2.316 1.00 0.00 H new ATOM 567 N ASP A 41 -16.375 -9.121 1.276 1.00 0.00 N ATOM 568 CA ASP A 41 -17.362 -9.814 0.465 1.00 0.00 C ATOM 569 C ASP A 41 -17.031 -9.612 -1.015 1.00 0.00 C ATOM 570 O ASP A 41 -16.326 -8.671 -1.375 1.00 0.00 O ATOM 571 CB ASP A 41 -18.767 -9.261 0.715 1.00 0.00 C ATOM 572 CG ASP A 41 -19.171 -9.164 2.187 1.00 0.00 C ATOM 573 OD1 ASP A 41 -18.892 -10.139 2.918 1.00 0.00 O ATOM 574 OD2 ASP A 41 -19.749 -8.116 2.549 1.00 0.00 O ATOM 0 H ASP A 41 -16.766 -8.507 1.991 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.337 -10.870 0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.835 -8.269 0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.488 -9.894 0.197 1.00 0.00 H new ATOM 579 N ASP A 42 -17.556 -10.513 -1.834 1.00 0.00 N ATOM 580 CA ASP A 42 -17.325 -10.446 -3.267 1.00 0.00 C ATOM 581 C ASP A 42 -18.630 -10.071 -3.972 1.00 0.00 C ATOM 582 O ASP A 42 -18.617 -9.656 -5.130 1.00 0.00 O ATOM 583 CB ASP A 42 -16.863 -11.797 -3.814 1.00 0.00 C ATOM 584 CG ASP A 42 -15.938 -12.588 -2.887 1.00 0.00 C ATOM 585 OD1 ASP A 42 -14.946 -11.984 -2.425 1.00 0.00 O ATOM 586 OD2 ASP A 42 -16.243 -13.779 -2.661 1.00 0.00 O ATOM 0 H ASP A 42 -18.140 -11.293 -1.532 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.552 -9.700 -3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.742 -12.404 -4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.349 -11.632 -4.761 1.00 0.00 H new ATOM 591 N ASN A 43 -19.726 -10.232 -3.245 1.00 0.00 N ATOM 592 CA ASN A 43 -21.037 -9.916 -3.786 1.00 0.00 C ATOM 593 C ASN A 43 -21.304 -10.796 -5.010 1.00 0.00 C ATOM 594 O ASN A 43 -21.357 -10.301 -6.134 1.00 0.00 O ATOM 595 CB ASN A 43 -21.112 -8.454 -4.230 1.00 0.00 C ATOM 596 CG ASN A 43 -21.097 -7.513 -3.023 1.00 0.00 C ATOM 597 OD1 ASN A 43 -21.823 -6.535 -2.957 1.00 0.00 O ATOM 598 ND2 ASN A 43 -20.231 -7.862 -2.076 1.00 0.00 N ATOM 0 H ASN A 43 -19.733 -10.577 -2.285 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.776 -10.094 -3.005 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.271 -8.225 -4.884 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -22.020 -8.293 -4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -20.145 -7.298 -1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.653 -8.694 -2.195 1.00 0.00 H new ATOM 605 N ASN A 44 -21.465 -12.085 -4.748 1.00 0.00 N ATOM 606 CA ASN A 44 -21.725 -13.037 -5.814 1.00 0.00 C ATOM 607 C ASN A 44 -20.492 -13.137 -6.715 1.00 0.00 C ATOM 608 O ASN A 44 -19.887 -14.202 -6.829 1.00 0.00 O ATOM 609 CB ASN A 44 -22.906 -12.590 -6.677 1.00 0.00 C ATOM 610 CG ASN A 44 -24.237 -12.904 -5.989 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.679 -14.039 -5.924 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.848 -11.837 -5.482 1.00 0.00 N ATOM 0 H ASN A 44 -21.420 -12.492 -3.814 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.957 -13.999 -5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.836 -11.519 -6.870 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.865 -13.091 -7.644 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.743 -11.941 -5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.422 -10.915 -5.572 1.00 0.00 H new ATOM 619 N SER A 45 -20.157 -12.013 -7.332 1.00 0.00 N ATOM 620 CA SER A 45 -19.008 -11.961 -8.220 1.00 0.00 C ATOM 621 C SER A 45 -17.715 -12.026 -7.405 1.00 0.00 C ATOM 622 O SER A 45 -17.440 -11.140 -6.598 1.00 0.00 O ATOM 623 CB SER A 45 -19.032 -10.694 -9.077 1.00 0.00 C ATOM 624 OG SER A 45 -17.857 -10.566 -9.874 1.00 0.00 O ATOM 0 H SER A 45 -20.661 -11.132 -7.234 1.00 0.00 H new ATOM 0 HA SER A 45 -19.052 -12.820 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.909 -10.711 -9.724 1.00 0.00 H new ATOM 0 HB3 SER A 45 -19.129 -9.821 -8.431 1.00 0.00 H new ATOM 0 HG SER A 45 -17.781 -11.339 -10.472 1.00 0.00 H new ATOM 630 N PRO A 46 -16.935 -13.113 -7.652 1.00 0.00 N ATOM 631 CA PRO A 46 -15.677 -13.305 -6.951 1.00 0.00 C ATOM 632 C PRO A 46 -14.598 -12.365 -7.492 1.00 0.00 C ATOM 633 O PRO A 46 -14.651 -11.954 -8.650 1.00 0.00 O ATOM 634 CB PRO A 46 -15.337 -14.774 -7.147 1.00 0.00 C ATOM 635 CG PRO A 46 -16.169 -15.238 -8.332 1.00 0.00 C ATOM 636 CD PRO A 46 -17.228 -14.182 -8.601 1.00 0.00 C ATOM 0 HA PRO A 46 -15.746 -13.064 -5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.273 -14.906 -7.341 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.573 -15.352 -6.254 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.538 -15.378 -9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.635 -16.200 -8.118 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.178 -13.824 -9.629 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.231 -14.580 -8.451 1.00 0.00 H new ATOM 644 N ILE A 47 -13.644 -12.051 -6.627 1.00 0.00 N ATOM 645 CA ILE A 47 -12.554 -11.167 -7.004 1.00 0.00 C ATOM 646 C ILE A 47 -11.704 -11.842 -8.082 1.00 0.00 C ATOM 647 O ILE A 47 -11.527 -13.060 -8.066 1.00 0.00 O ATOM 648 CB ILE A 47 -11.757 -10.743 -5.768 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.796 -9.224 -5.586 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.325 -11.276 -5.830 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.248 -8.509 -6.823 1.00 0.00 C ATOM 0 H ILE A 47 -13.604 -12.393 -5.667 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.943 -10.245 -7.436 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.227 -11.185 -4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.821 -8.903 -5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.210 -8.944 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.780 -10.960 -4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.344 -12.365 -5.877 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.829 -10.883 -6.717 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.287 -7.431 -6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.215 -8.814 -6.992 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.851 -8.772 -7.692 1.00 0.00 H new ATOM 663 N THR A 48 -11.200 -11.023 -8.993 1.00 0.00 N ATOM 664 CA THR A 48 -10.373 -11.526 -10.076 1.00 0.00 C ATOM 665 C THR A 48 -9.023 -10.807 -10.095 1.00 0.00 C ATOM 666 O THR A 48 -8.002 -11.404 -10.432 1.00 0.00 O ATOM 667 CB THR A 48 -11.159 -11.375 -11.380 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.513 -9.996 -11.415 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.504 -12.104 -11.341 1.00 0.00 C ATOM 0 H THR A 48 -11.349 -10.014 -9.003 1.00 0.00 H new ATOM 0 HA THR A 48 -10.142 -12.582 -9.939 1.00 0.00 H new ATOM 0 HB THR A 48 -10.563 -11.757 -12.209 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.239 -9.567 -10.578 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.021 -11.965 -12.290 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.337 -13.168 -11.172 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.114 -11.700 -10.533 1.00 0.00 H new ATOM 677 N LYS A 49 -9.061 -9.534 -9.727 1.00 0.00 N ATOM 678 CA LYS A 49 -7.853 -8.727 -9.697 1.00 0.00 C ATOM 679 C LYS A 49 -7.931 -7.744 -8.527 1.00 0.00 C ATOM 680 O LYS A 49 -9.015 -7.467 -8.015 1.00 0.00 O ATOM 681 CB LYS A 49 -7.624 -8.055 -11.051 1.00 0.00 C ATOM 682 CG LYS A 49 -7.018 -6.661 -10.876 1.00 0.00 C ATOM 683 CD LYS A 49 -6.790 -5.988 -12.231 1.00 0.00 C ATOM 684 CE LYS A 49 -8.118 -5.727 -12.945 1.00 0.00 C ATOM 685 NZ LYS A 49 -8.068 -6.234 -14.334 1.00 0.00 N ATOM 0 H LYS A 49 -9.910 -9.042 -9.447 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.979 -9.356 -9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.960 -8.670 -11.659 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.569 -7.980 -11.588 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.681 -6.046 -10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.072 -6.737 -10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.259 -5.047 -12.089 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.157 -6.621 -12.853 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.930 -6.212 -12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.331 -4.658 -12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.977 -6.049 -14.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.306 -5.752 -14.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.886 -7.258 -14.323 1.00 0.00 H new ATOM 699 N PHE A 50 -6.768 -7.243 -8.138 1.00 0.00 N ATOM 700 CA PHE A 50 -6.690 -6.297 -7.038 1.00 0.00 C ATOM 701 C PHE A 50 -5.750 -5.139 -7.377 1.00 0.00 C ATOM 702 O PHE A 50 -4.531 -5.305 -7.383 1.00 0.00 O ATOM 703 CB PHE A 50 -6.132 -7.056 -5.833 1.00 0.00 C ATOM 704 CG PHE A 50 -7.175 -7.888 -5.084 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.269 -7.284 -4.547 1.00 0.00 C ATOM 706 CD2 PHE A 50 -7.008 -9.232 -4.956 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.237 -8.057 -3.852 1.00 0.00 C ATOM 708 CE2 PHE A 50 -7.976 -10.004 -4.261 1.00 0.00 C ATOM 709 CZ PHE A 50 -9.070 -9.401 -3.724 1.00 0.00 C ATOM 0 H PHE A 50 -5.871 -7.475 -8.565 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.677 -5.881 -6.835 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.331 -7.714 -6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.687 -6.341 -5.141 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.402 -6.217 -4.649 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.140 -9.712 -5.383 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.106 -7.578 -3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.843 -11.071 -4.159 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.806 -9.989 -3.196 1.00 0.00 H new ATOM 719 N ILE A 51 -6.351 -3.990 -7.651 1.00 0.00 N ATOM 720 CA ILE A 51 -5.582 -2.805 -7.990 1.00 0.00 C ATOM 721 C ILE A 51 -5.238 -2.042 -6.709 1.00 0.00 C ATOM 722 O ILE A 51 -5.958 -2.133 -5.715 1.00 0.00 O ATOM 723 CB ILE A 51 -6.327 -1.961 -9.026 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.489 -2.726 -10.341 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.640 -0.610 -9.230 1.00 0.00 C ATOM 726 CD1 ILE A 51 -7.967 -2.882 -10.707 1.00 0.00 C ATOM 0 H ILE A 51 -7.362 -3.855 -7.645 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.639 -3.085 -8.459 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.328 -1.758 -8.645 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.967 -2.199 -11.139 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.027 -3.709 -10.253 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.190 -0.030 -9.971 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.620 -0.066 -8.286 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.620 -0.770 -9.579 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.054 -3.429 -11.646 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.481 -3.431 -9.918 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.420 -1.897 -10.818 1.00 0.00 H new ATOM 738 N ILE A 52 -4.138 -1.307 -6.773 1.00 0.00 N ATOM 739 CA ILE A 52 -3.689 -0.530 -5.631 1.00 0.00 C ATOM 740 C ILE A 52 -3.487 0.926 -6.057 1.00 0.00 C ATOM 741 O ILE A 52 -3.352 1.215 -7.245 1.00 0.00 O ATOM 742 CB ILE A 52 -2.446 -1.165 -5.004 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.802 -2.459 -4.271 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.722 -0.171 -4.094 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.179 -3.672 -4.964 1.00 0.00 C ATOM 0 H ILE A 52 -3.544 -1.233 -7.599 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.448 -0.532 -4.849 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.756 -1.429 -5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.452 -2.405 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.885 -2.574 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.842 -0.648 -3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.414 0.698 -4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.393 0.146 -3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.448 -4.579 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.550 -3.737 -5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.094 -3.566 -4.978 1.00 0.00 H new ATOM 757 N GLU A 53 -3.474 1.804 -5.065 1.00 0.00 N ATOM 758 CA GLU A 53 -3.291 3.222 -5.323 1.00 0.00 C ATOM 759 C GLU A 53 -2.708 3.915 -4.090 1.00 0.00 C ATOM 760 O GLU A 53 -2.800 3.394 -2.979 1.00 0.00 O ATOM 761 CB GLU A 53 -4.607 3.876 -5.749 1.00 0.00 C ATOM 762 CG GLU A 53 -4.737 3.906 -7.273 1.00 0.00 C ATOM 763 CD GLU A 53 -6.114 3.406 -7.716 1.00 0.00 C ATOM 764 OE1 GLU A 53 -7.108 4.043 -7.305 1.00 0.00 O ATOM 765 OE2 GLU A 53 -6.141 2.399 -8.455 1.00 0.00 O ATOM 0 H GLU A 53 -3.587 1.561 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.585 3.334 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.445 3.327 -5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.656 4.892 -5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.582 4.922 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.960 3.286 -7.720 1.00 0.00 H new ATOM 772 N TYR A 54 -2.120 5.078 -4.327 1.00 0.00 N ATOM 773 CA TYR A 54 -1.522 5.848 -3.250 1.00 0.00 C ATOM 774 C TYR A 54 -1.615 7.349 -3.531 1.00 0.00 C ATOM 775 O TYR A 54 -1.856 7.758 -4.665 1.00 0.00 O ATOM 776 CB TYR A 54 -0.048 5.440 -3.208 1.00 0.00 C ATOM 777 CG TYR A 54 0.827 6.162 -4.234 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.414 7.369 -3.913 1.00 0.00 C ATOM 779 CD2 TYR A 54 1.029 5.607 -5.481 1.00 0.00 C ATOM 780 CE1 TYR A 54 2.238 8.049 -4.879 1.00 0.00 C ATOM 781 CE2 TYR A 54 1.853 6.286 -6.447 1.00 0.00 C ATOM 782 CZ TYR A 54 2.417 7.474 -6.098 1.00 0.00 C ATOM 783 OH TYR A 54 3.194 8.116 -7.011 1.00 0.00 O ATOM 0 H TYR A 54 -2.045 5.506 -5.250 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.037 5.655 -2.309 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.344 5.635 -2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.026 4.365 -3.375 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.255 7.804 -2.937 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.569 4.663 -5.733 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.703 8.994 -4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.020 5.862 -7.426 1.00 0.00 H new ATOM 0 HH TYR A 54 3.233 7.588 -7.836 1.00 0.00 H new ATOM 793 N GLU A 55 -1.420 8.129 -2.477 1.00 0.00 N ATOM 794 CA GLU A 55 -1.479 9.576 -2.596 1.00 0.00 C ATOM 795 C GLU A 55 -0.469 10.228 -1.650 1.00 0.00 C ATOM 796 O GLU A 55 -0.177 9.691 -0.583 1.00 0.00 O ATOM 797 CB GLU A 55 -2.895 10.091 -2.327 1.00 0.00 C ATOM 798 CG GLU A 55 -3.285 9.881 -0.863 1.00 0.00 C ATOM 799 CD GLU A 55 -3.194 11.191 -0.078 1.00 0.00 C ATOM 800 OE1 GLU A 55 -2.055 11.680 0.080 1.00 0.00 O ATOM 801 OE2 GLU A 55 -4.266 11.675 0.346 1.00 0.00 O ATOM 0 H GLU A 55 -1.221 7.786 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.217 9.848 -3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.954 11.151 -2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.603 9.573 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.300 9.489 -0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.630 9.136 -0.412 1.00 0.00 H new ATOM 808 N ASP A 56 0.035 11.377 -2.075 1.00 0.00 N ATOM 809 CA ASP A 56 1.006 12.108 -1.279 1.00 0.00 C ATOM 810 C ASP A 56 0.274 13.104 -0.377 1.00 0.00 C ATOM 811 O ASP A 56 -0.595 13.841 -0.839 1.00 0.00 O ATOM 812 CB ASP A 56 1.968 12.896 -2.170 1.00 0.00 C ATOM 813 CG ASP A 56 3.214 13.432 -1.462 1.00 0.00 C ATOM 814 OD1 ASP A 56 3.064 13.859 -0.296 1.00 0.00 O ATOM 815 OD2 ASP A 56 4.287 13.404 -2.101 1.00 0.00 O ATOM 0 H ASP A 56 -0.211 11.820 -2.960 1.00 0.00 H new ATOM 0 HA ASP A 56 1.570 11.386 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.284 12.255 -2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.428 13.735 -2.608 1.00 0.00 H new ATOM 820 N ALA A 57 0.653 13.093 0.892 1.00 0.00 N ATOM 821 CA ALA A 57 0.043 13.987 1.862 1.00 0.00 C ATOM 822 C ALA A 57 1.009 15.131 2.174 1.00 0.00 C ATOM 823 O ALA A 57 0.599 16.174 2.680 1.00 0.00 O ATOM 824 CB ALA A 57 -0.346 13.195 3.113 1.00 0.00 C ATOM 0 H ALA A 57 1.374 12.480 1.271 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.869 14.427 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.803 13.866 3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.056 12.414 2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.545 12.741 3.548 1.00 0.00 H new ATOM 830 N MET A 58 2.275 14.896 1.859 1.00 0.00 N ATOM 831 CA MET A 58 3.303 15.895 2.099 1.00 0.00 C ATOM 832 C MET A 58 3.453 16.828 0.896 1.00 0.00 C ATOM 833 O MET A 58 4.221 17.787 0.941 1.00 0.00 O ATOM 834 CB MET A 58 4.637 15.197 2.373 1.00 0.00 C ATOM 835 CG MET A 58 5.788 16.206 2.398 1.00 0.00 C ATOM 836 SD MET A 58 7.150 15.554 3.349 1.00 0.00 S ATOM 837 CE MET A 58 7.232 13.901 2.681 1.00 0.00 C ATOM 0 H MET A 58 2.612 14.029 1.440 1.00 0.00 H new ATOM 0 HA MET A 58 3.010 16.492 2.963 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.588 14.672 3.327 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.823 14.446 1.605 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.115 16.423 1.381 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.449 17.147 2.831 1.00 0.00 H new ATOM 0 HE1 MET A 58 8.257 13.535 2.741 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.577 13.244 3.254 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.912 13.913 1.639 1.00 0.00 H new ATOM 847 N HIS A 59 2.706 16.514 -0.153 1.00 0.00 N ATOM 848 CA HIS A 59 2.745 17.313 -1.366 1.00 0.00 C ATOM 849 C HIS A 59 1.320 17.670 -1.792 1.00 0.00 C ATOM 850 O HIS A 59 0.883 18.807 -1.620 1.00 0.00 O ATOM 851 CB HIS A 59 3.530 16.593 -2.465 1.00 0.00 C ATOM 852 CG HIS A 59 4.966 16.300 -2.102 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.321 15.465 -1.057 1.00 0.00 N ATOM 854 CD2 HIS A 59 6.133 16.739 -2.657 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.643 15.411 -0.994 1.00 0.00 C ATOM 856 NE2 HIS A 59 7.144 16.202 -1.986 1.00 0.00 N ATOM 0 H HIS A 59 2.070 15.717 -0.188 1.00 0.00 H new ATOM 0 HA HIS A 59 3.274 18.247 -1.174 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.027 15.655 -2.702 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.511 17.202 -3.369 1.00 0.00 H new ATOM 0 HD1 HIS A 59 4.674 14.974 -0.440 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.219 17.410 -3.499 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.222 14.841 -0.283 1.00 0.00 H new ATOM 864 N LYS A 60 0.635 16.678 -2.341 1.00 0.00 N ATOM 865 CA LYS A 60 -0.732 16.873 -2.793 1.00 0.00 C ATOM 866 C LYS A 60 -1.622 15.778 -2.201 1.00 0.00 C ATOM 867 O LYS A 60 -1.734 14.691 -2.766 1.00 0.00 O ATOM 868 CB LYS A 60 -0.786 16.949 -4.321 1.00 0.00 C ATOM 869 CG LYS A 60 -0.083 18.209 -4.831 1.00 0.00 C ATOM 870 CD LYS A 60 1.356 17.902 -5.251 1.00 0.00 C ATOM 871 CE LYS A 60 1.478 17.825 -6.774 1.00 0.00 C ATOM 872 NZ LYS A 60 2.343 18.914 -7.281 1.00 0.00 N ATOM 0 H LYS A 60 1.001 15.737 -2.483 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.118 17.827 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.313 16.065 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.824 16.948 -4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.633 18.619 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.083 18.971 -4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.023 18.674 -4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.674 16.958 -4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.892 16.859 -7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.490 17.897 -7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.415 18.847 -8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.932 19.833 -7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.291 18.828 -6.862 1.00 0.00 H new ATOM 886 N PRO A 61 -2.248 16.112 -1.041 1.00 0.00 N ATOM 887 CA PRO A 61 -3.125 15.170 -0.366 1.00 0.00 C ATOM 888 C PRO A 61 -4.465 15.049 -1.095 1.00 0.00 C ATOM 889 O PRO A 61 -5.057 16.054 -1.484 1.00 0.00 O ATOM 890 CB PRO A 61 -3.265 15.707 1.049 1.00 0.00 C ATOM 891 CG PRO A 61 -2.844 17.166 0.984 1.00 0.00 C ATOM 892 CD PRO A 61 -2.139 17.390 -0.343 1.00 0.00 C ATOM 0 HA PRO A 61 -2.725 14.156 -0.355 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.291 15.612 1.403 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.636 15.149 1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.713 17.818 1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.181 17.409 1.814 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.609 18.193 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.097 17.673 -0.195 1.00 0.00 H new ATOM 900 N GLY A 62 -4.904 13.809 -1.257 1.00 0.00 N ATOM 901 CA GLY A 62 -6.163 13.543 -1.932 1.00 0.00 C ATOM 902 C GLY A 62 -5.926 13.090 -3.374 1.00 0.00 C ATOM 903 O GLY A 62 -6.829 12.554 -4.016 1.00 0.00 O ATOM 0 H GLY A 62 -4.410 12.978 -0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.714 12.774 -1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.780 14.441 -1.926 1.00 0.00 H new ATOM 907 N LEU A 63 -4.709 13.322 -3.842 1.00 0.00 N ATOM 908 CA LEU A 63 -4.342 12.944 -5.196 1.00 0.00 C ATOM 909 C LEU A 63 -3.865 11.490 -5.204 1.00 0.00 C ATOM 910 O LEU A 63 -2.742 11.200 -4.797 1.00 0.00 O ATOM 911 CB LEU A 63 -3.323 13.929 -5.770 1.00 0.00 C ATOM 912 CG LEU A 63 -3.308 14.068 -7.294 1.00 0.00 C ATOM 913 CD1 LEU A 63 -4.599 14.714 -7.798 1.00 0.00 C ATOM 914 CD2 LEU A 63 -2.065 14.827 -7.763 1.00 0.00 C ATOM 0 H LEU A 63 -3.963 13.768 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.209 12.999 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.513 14.911 -5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.329 13.624 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.258 13.069 -7.728 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.562 14.801 -8.884 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.451 14.097 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.706 15.705 -7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.079 14.912 -8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.059 15.823 -7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.170 14.287 -7.453 1.00 0.00 H new ATOM 926 N TRP A 64 -4.743 10.615 -5.672 1.00 0.00 N ATOM 927 CA TRP A 64 -4.425 9.199 -5.739 1.00 0.00 C ATOM 928 C TRP A 64 -3.928 8.892 -7.153 1.00 0.00 C ATOM 929 O TRP A 64 -4.454 9.423 -8.129 1.00 0.00 O ATOM 930 CB TRP A 64 -5.629 8.347 -5.330 1.00 0.00 C ATOM 931 CG TRP A 64 -6.156 8.648 -3.926 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.134 9.493 -3.575 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.690 8.066 -2.690 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.332 9.499 -2.209 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.426 8.603 -1.654 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.680 7.116 -2.455 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.230 8.254 -0.312 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.496 6.778 -1.109 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.229 7.310 -0.055 1.00 0.00 C ATOM 0 H TRP A 64 -5.674 10.859 -6.008 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.636 8.947 -5.031 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.433 8.503 -6.050 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.352 7.294 -5.385 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.697 10.094 -4.273 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.017 10.058 -1.701 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.093 6.681 -3.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.819 8.690 0.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.731 6.053 -0.873 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.027 6.996 0.959 1.00 0.00 H new ATOM 950 N HIS A 65 -2.919 8.035 -7.218 1.00 0.00 N ATOM 951 CA HIS A 65 -2.345 7.651 -8.496 1.00 0.00 C ATOM 952 C HIS A 65 -2.266 6.126 -8.585 1.00 0.00 C ATOM 953 O HIS A 65 -2.159 5.445 -7.566 1.00 0.00 O ATOM 954 CB HIS A 65 -0.989 8.328 -8.708 1.00 0.00 C ATOM 955 CG HIS A 65 -1.012 9.824 -8.506 1.00 0.00 C ATOM 956 ND1 HIS A 65 -1.288 10.715 -9.529 1.00 0.00 N ATOM 957 CD2 HIS A 65 -0.792 10.576 -7.389 1.00 0.00 C ATOM 958 CE1 HIS A 65 -1.232 11.945 -9.039 1.00 0.00 C ATOM 959 NE2 HIS A 65 -0.924 11.857 -7.713 1.00 0.00 N ATOM 0 H HIS A 65 -2.485 7.596 -6.406 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.988 7.995 -9.306 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.264 7.890 -8.022 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.641 8.113 -9.718 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.499 10.467 -10.496 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.551 10.194 -6.408 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.401 12.857 -9.592 1.00 0.00 H new ATOM 967 N HIS A 66 -2.322 5.633 -9.814 1.00 0.00 N ATOM 968 CA HIS A 66 -2.258 4.201 -10.050 1.00 0.00 C ATOM 969 C HIS A 66 -0.884 3.672 -9.631 1.00 0.00 C ATOM 970 O HIS A 66 0.143 4.203 -10.051 1.00 0.00 O ATOM 971 CB HIS A 66 -2.601 3.874 -11.504 1.00 0.00 C ATOM 972 CG HIS A 66 -3.343 2.571 -11.682 1.00 0.00 C ATOM 973 ND1 HIS A 66 -2.750 1.337 -11.484 1.00 0.00 N ATOM 974 CD2 HIS A 66 -4.636 2.324 -12.041 1.00 0.00 C ATOM 975 CE1 HIS A 66 -3.654 0.396 -11.716 1.00 0.00 C ATOM 976 NE2 HIS A 66 -4.822 1.010 -12.062 1.00 0.00 N ATOM 0 H HIS A 66 -2.411 6.200 -10.657 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.005 3.695 -9.439 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.205 4.683 -11.915 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.679 3.838 -12.085 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.382 3.071 -12.269 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.494 -0.670 -11.644 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.694 0.537 -12.298 1.00 0.00 H new ATOM 984 N GLN A 67 -0.910 2.634 -8.809 1.00 0.00 N ATOM 985 CA GLN A 67 0.320 2.028 -8.329 1.00 0.00 C ATOM 986 C GLN A 67 0.580 0.707 -9.057 1.00 0.00 C ATOM 987 O GLN A 67 1.465 0.627 -9.907 1.00 0.00 O ATOM 988 CB GLN A 67 0.274 1.819 -6.814 1.00 0.00 C ATOM 989 CG GLN A 67 1.565 1.170 -6.311 1.00 0.00 C ATOM 990 CD GLN A 67 2.351 2.134 -5.419 1.00 0.00 C ATOM 991 OE1 GLN A 67 2.931 3.107 -5.873 1.00 0.00 O ATOM 992 NE2 GLN A 67 2.340 1.809 -4.130 1.00 0.00 N ATOM 0 H GLN A 67 -1.764 2.197 -8.463 1.00 0.00 H new ATOM 0 HA GLN A 67 1.145 2.708 -8.544 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.126 2.777 -6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.578 1.190 -6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.328 0.264 -5.753 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.180 0.870 -7.159 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.834 0.980 -3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.837 2.388 -3.454 1.00 0.00 H new ATOM 1001 N THR A 68 -0.207 -0.296 -8.696 1.00 0.00 N ATOM 1002 CA THR A 68 -0.073 -1.608 -9.304 1.00 0.00 C ATOM 1003 C THR A 68 -1.255 -2.499 -8.916 1.00 0.00 C ATOM 1004 O THR A 68 -2.007 -2.174 -7.999 1.00 0.00 O ATOM 1005 CB THR A 68 1.283 -2.185 -8.891 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.345 -3.441 -9.560 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.336 -2.551 -7.406 1.00 0.00 C ATOM 0 H THR A 68 -0.940 -0.226 -7.990 1.00 0.00 H new ATOM 0 HA THR A 68 -0.098 -1.544 -10.392 1.00 0.00 H new ATOM 0 HB THR A 68 2.068 -1.462 -9.115 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.194 -3.883 -9.349 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.319 -2.956 -7.166 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.153 -1.660 -6.805 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.573 -3.298 -7.188 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.382 -3.605 -9.635 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.460 -4.544 -9.378 1.00 0.00 C ATOM 1017 C GLU A 69 -1.917 -5.974 -9.325 1.00 0.00 C ATOM 1018 O GLU A 69 -0.757 -6.213 -9.656 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.563 -4.415 -10.430 1.00 0.00 C ATOM 1020 CG GLU A 69 -2.994 -4.569 -11.842 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.539 -6.008 -12.096 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.178 -6.915 -11.521 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.562 -6.167 -12.859 1.00 0.00 O ATOM 0 H GLU A 69 -0.756 -3.871 -10.395 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.899 -4.306 -8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.326 -5.174 -10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.050 -3.445 -10.334 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.750 -4.288 -12.575 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.153 -3.889 -11.975 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.782 -6.886 -8.907 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.403 -8.286 -8.807 1.00 0.00 C ATOM 1032 C VAL A 70 -3.614 -9.162 -9.134 1.00 0.00 C ATOM 1033 O VAL A 70 -4.675 -8.652 -9.494 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.815 -8.571 -7.424 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.287 -8.625 -7.479 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.291 -7.537 -6.402 1.00 0.00 C ATOM 0 H VAL A 70 -3.744 -6.684 -8.634 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.624 -8.524 -9.532 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.173 -9.549 -7.102 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.106 -8.829 -6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.025 -9.416 -8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.098 -7.669 -7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.858 -7.763 -5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.976 -6.542 -6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.378 -7.568 -6.332 1.00 0.00 H new ATOM 1046 N SER A 71 -3.416 -10.465 -8.998 1.00 0.00 N ATOM 1047 CA SER A 71 -4.479 -11.416 -9.274 1.00 0.00 C ATOM 1048 C SER A 71 -5.539 -11.351 -8.173 1.00 0.00 C ATOM 1049 O SER A 71 -5.325 -10.724 -7.137 1.00 0.00 O ATOM 1050 CB SER A 71 -3.927 -12.838 -9.396 1.00 0.00 C ATOM 1051 OG SER A 71 -4.233 -13.423 -10.659 1.00 0.00 O ATOM 0 H SER A 71 -2.535 -10.884 -8.700 1.00 0.00 H new ATOM 0 HA SER A 71 -4.937 -11.150 -10.226 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.846 -12.820 -9.257 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.341 -13.457 -8.600 1.00 0.00 H new ATOM 0 HG SER A 71 -3.862 -14.329 -10.698 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.659 -12.009 -8.434 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.753 -12.033 -7.479 1.00 0.00 C ATOM 1059 C GLY A 72 -7.615 -13.215 -6.517 1.00 0.00 C ATOM 1060 O GLY A 72 -8.608 -13.700 -5.977 1.00 0.00 O ATOM 0 H GLY A 72 -6.832 -12.530 -9.294 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.769 -11.100 -6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.703 -12.100 -8.010 1.00 0.00 H new ATOM 1064 N THR A 73 -6.375 -13.645 -6.333 1.00 0.00 N ATOM 1065 CA THR A 73 -6.093 -14.761 -5.446 1.00 0.00 C ATOM 1066 C THR A 73 -5.147 -14.326 -4.326 1.00 0.00 C ATOM 1067 O THR A 73 -5.323 -14.716 -3.173 1.00 0.00 O ATOM 1068 CB THR A 73 -5.545 -15.911 -6.293 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.658 -16.788 -6.449 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.511 -16.751 -5.541 1.00 0.00 C ATOM 0 H THR A 73 -5.554 -13.240 -6.783 1.00 0.00 H new ATOM 0 HA THR A 73 -6.998 -15.109 -4.947 1.00 0.00 H new ATOM 0 HB THR A 73 -5.095 -15.510 -7.202 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.392 -17.562 -6.988 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.154 -17.553 -6.187 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.672 -16.120 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.969 -17.180 -4.650 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.162 -13.524 -4.704 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.187 -13.032 -3.746 1.00 0.00 C ATOM 1080 C GLN A 74 -3.754 -11.837 -2.978 1.00 0.00 C ATOM 1081 O GLN A 74 -4.684 -11.180 -3.444 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.873 -12.666 -4.440 1.00 0.00 C ATOM 1083 CG GLN A 74 -1.941 -11.257 -5.033 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.548 -10.760 -5.425 1.00 0.00 C ATOM 1085 OE1 GLN A 74 0.184 -11.402 -6.160 1.00 0.00 O ATOM 1086 NE2 GLN A 74 -0.224 -9.584 -4.894 1.00 0.00 N ATOM 0 H GLN A 74 -4.018 -13.203 -5.661 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.973 -13.828 -3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.052 -12.725 -3.726 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.661 -13.387 -5.230 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.591 -11.258 -5.908 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.384 -10.574 -4.308 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.885 -9.099 -4.286 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.685 -9.167 -5.095 1.00 0.00 H new ATOM 1095 N THR A 75 -3.170 -11.590 -1.815 1.00 0.00 N ATOM 1096 CA THR A 75 -3.605 -10.485 -0.978 1.00 0.00 C ATOM 1097 C THR A 75 -2.397 -9.731 -0.419 1.00 0.00 C ATOM 1098 O THR A 75 -2.508 -9.029 0.584 1.00 0.00 O ATOM 1099 CB THR A 75 -4.525 -11.048 0.107 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.904 -12.272 0.488 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.887 -11.476 -0.444 1.00 0.00 C ATOM 0 H THR A 75 -2.399 -12.137 -1.432 1.00 0.00 H new ATOM 0 HA THR A 75 -4.168 -9.751 -1.554 1.00 0.00 H new ATOM 0 HB THR A 75 -4.668 -10.299 0.886 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.434 -12.703 1.190 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.501 -11.868 0.367 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.385 -10.616 -0.893 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.747 -12.249 -1.199 1.00 0.00 H new ATOM 1109 N THR A 76 -1.269 -9.902 -1.094 1.00 0.00 N ATOM 1110 CA THR A 76 -0.041 -9.247 -0.677 1.00 0.00 C ATOM 1111 C THR A 76 0.806 -8.878 -1.897 1.00 0.00 C ATOM 1112 O THR A 76 1.068 -9.720 -2.753 1.00 0.00 O ATOM 1113 CB THR A 76 0.679 -10.172 0.305 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.821 -11.396 -0.410 1.00 0.00 O ATOM 1115 CG2 THR A 76 -0.193 -10.542 1.507 1.00 0.00 C ATOM 0 H THR A 76 -1.180 -10.485 -1.927 1.00 0.00 H new ATOM 0 HA THR A 76 -0.248 -8.306 -0.167 1.00 0.00 H new ATOM 0 HB THR A 76 1.593 -9.690 0.653 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.018 -11.204 -1.351 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.365 -11.200 2.173 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.475 -9.637 2.044 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.091 -11.054 1.161 1.00 0.00 H new ATOM 1123 N ALA A 77 1.212 -7.617 -1.936 1.00 0.00 N ATOM 1124 CA ALA A 77 2.024 -7.126 -3.036 1.00 0.00 C ATOM 1125 C ALA A 77 3.139 -6.235 -2.483 1.00 0.00 C ATOM 1126 O ALA A 77 2.977 -5.611 -1.435 1.00 0.00 O ATOM 1127 CB ALA A 77 1.134 -6.390 -4.039 1.00 0.00 C ATOM 0 H ALA A 77 0.994 -6.921 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 77 2.495 -7.955 -3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.743 -6.022 -4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.377 -7.073 -4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.647 -5.550 -3.545 1.00 0.00 H new ATOM 1133 N GLN A 78 4.245 -6.205 -3.212 1.00 0.00 N ATOM 1134 CA GLN A 78 5.386 -5.402 -2.807 1.00 0.00 C ATOM 1135 C GLN A 78 5.221 -3.962 -3.297 1.00 0.00 C ATOM 1136 O GLN A 78 4.791 -3.731 -4.426 1.00 0.00 O ATOM 1137 CB GLN A 78 6.693 -6.009 -3.320 1.00 0.00 C ATOM 1138 CG GLN A 78 7.302 -6.954 -2.283 1.00 0.00 C ATOM 1139 CD GLN A 78 7.955 -8.162 -2.959 1.00 0.00 C ATOM 1140 OE1 GLN A 78 8.816 -8.037 -3.815 1.00 0.00 O ATOM 1141 NE2 GLN A 78 7.500 -9.335 -2.528 1.00 0.00 N ATOM 0 H GLN A 78 4.375 -6.724 -4.081 1.00 0.00 H new ATOM 0 HA GLN A 78 5.431 -5.392 -1.718 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.507 -6.552 -4.247 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.401 -5.214 -3.553 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.044 -6.419 -1.690 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.527 -7.292 -1.595 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.778 -9.369 -1.809 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.873 -10.201 -2.917 1.00 0.00 H new ATOM 1150 N LEU A 79 5.572 -3.029 -2.423 1.00 0.00 N ATOM 1151 CA LEU A 79 5.468 -1.618 -2.752 1.00 0.00 C ATOM 1152 C LEU A 79 6.848 -0.968 -2.634 1.00 0.00 C ATOM 1153 O LEU A 79 7.551 -1.171 -1.645 1.00 0.00 O ATOM 1154 CB LEU A 79 4.396 -0.945 -1.893 1.00 0.00 C ATOM 1155 CG LEU A 79 3.002 -1.573 -1.946 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.954 -0.632 -1.348 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.645 -1.996 -3.372 1.00 0.00 C ATOM 0 H LEU A 79 5.929 -3.223 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 79 5.142 -1.491 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.735 -0.947 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.315 0.098 -2.200 1.00 0.00 H new ATOM 0 HG LEU A 79 3.011 -2.476 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.972 -1.102 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.204 -0.423 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.939 0.301 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.649 -2.439 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.660 -1.123 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.371 -2.727 -3.727 1.00 0.00 H new ATOM 1169 N ASN A 80 7.195 -0.201 -3.657 1.00 0.00 N ATOM 1170 CA ASN A 80 8.479 0.480 -3.680 1.00 0.00 C ATOM 1171 C ASN A 80 8.297 1.920 -3.197 1.00 0.00 C ATOM 1172 O ASN A 80 7.679 2.735 -3.881 1.00 0.00 O ATOM 1173 CB ASN A 80 9.052 0.526 -5.097 1.00 0.00 C ATOM 1174 CG ASN A 80 10.518 0.089 -5.110 1.00 0.00 C ATOM 1175 OD1 ASN A 80 11.361 0.631 -4.415 1.00 0.00 O ATOM 1176 ND2 ASN A 80 10.775 -0.920 -5.938 1.00 0.00 N ATOM 0 H ASN A 80 6.610 -0.036 -4.476 1.00 0.00 H new ATOM 0 HA ASN A 80 9.163 -0.068 -3.032 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.469 -0.124 -5.750 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.967 1.537 -5.495 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.724 -1.284 -6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.023 -1.329 -6.492 1.00 0.00 H new ATOM 1183 N LEU A 81 8.845 2.190 -2.021 1.00 0.00 N ATOM 1184 CA LEU A 81 8.751 3.518 -1.439 1.00 0.00 C ATOM 1185 C LEU A 81 10.118 4.201 -1.512 1.00 0.00 C ATOM 1186 O LEU A 81 11.149 3.531 -1.546 1.00 0.00 O ATOM 1187 CB LEU A 81 8.177 3.442 -0.022 1.00 0.00 C ATOM 1188 CG LEU A 81 7.061 2.418 0.195 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.700 2.307 1.678 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.842 2.744 -0.669 1.00 0.00 C ATOM 0 H LEU A 81 9.356 1.512 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 81 8.056 4.135 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.991 3.215 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.797 4.427 0.248 1.00 0.00 H new ATOM 0 HG LEU A 81 7.427 1.441 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.904 1.573 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.577 1.993 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.361 3.276 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.064 2.001 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.465 3.733 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.128 2.731 -1.721 1.00 0.00 H new ATOM 1202 N SER A 82 10.082 5.525 -1.534 1.00 0.00 N ATOM 1203 CA SER A 82 11.306 6.306 -1.603 1.00 0.00 C ATOM 1204 C SER A 82 11.432 7.191 -0.361 1.00 0.00 C ATOM 1205 O SER A 82 10.448 7.433 0.336 1.00 0.00 O ATOM 1206 CB SER A 82 11.342 7.161 -2.870 1.00 0.00 C ATOM 1207 OG SER A 82 11.790 6.420 -4.002 1.00 0.00 O ATOM 0 H SER A 82 9.225 6.077 -1.505 1.00 0.00 H new ATOM 0 HA SER A 82 12.150 5.618 -1.638 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.346 7.558 -3.068 1.00 0.00 H new ATOM 0 HB3 SER A 82 12.000 8.015 -2.712 1.00 0.00 H new ATOM 0 HG SER A 82 11.797 7.001 -4.791 1.00 0.00 H new ATOM 1213 N PRO A 83 12.684 7.660 -0.115 1.00 0.00 N ATOM 1214 CA PRO A 83 12.952 8.513 1.030 1.00 0.00 C ATOM 1215 C PRO A 83 12.430 9.931 0.793 1.00 0.00 C ATOM 1216 O PRO A 83 12.556 10.467 -0.307 1.00 0.00 O ATOM 1217 CB PRO A 83 14.460 8.459 1.217 1.00 0.00 C ATOM 1218 CG PRO A 83 15.025 7.958 -0.102 1.00 0.00 C ATOM 1219 CD PRO A 83 13.874 7.394 -0.918 1.00 0.00 C ATOM 0 HA PRO A 83 12.440 8.178 1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.859 9.443 1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.729 7.791 2.036 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.513 8.770 -0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.780 7.192 0.073 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.808 7.874 -1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 83 14.001 6.326 -1.096 1.00 0.00 H new ATOM 1227 N TYR A 84 11.853 10.499 1.842 1.00 0.00 N ATOM 1228 CA TYR A 84 11.311 11.844 1.761 1.00 0.00 C ATOM 1229 C TYR A 84 10.032 11.870 0.921 1.00 0.00 C ATOM 1230 O TYR A 84 9.899 12.687 0.011 1.00 0.00 O ATOM 1231 CB TYR A 84 12.380 12.689 1.066 1.00 0.00 C ATOM 1232 CG TYR A 84 13.815 12.285 1.413 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.254 12.353 2.720 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.669 11.853 0.419 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.604 11.972 3.046 1.00 0.00 C ATOM 1236 CE2 TYR A 84 16.019 11.473 0.745 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.420 11.551 2.043 1.00 0.00 C ATOM 1238 OH TYR A 84 17.695 11.192 2.351 1.00 0.00 O ATOM 0 H TYR A 84 11.749 10.052 2.753 1.00 0.00 H new ATOM 0 HA TYR A 84 11.063 12.218 2.754 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.243 12.614 -0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.233 13.735 1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.585 12.692 3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.325 11.800 -0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.960 12.020 4.064 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.698 11.134 -0.023 1.00 0.00 H new ATOM 0 HH TYR A 84 18.162 10.912 1.536 1.00 0.00 H new ATOM 1248 N VAL A 85 9.123 10.967 1.256 1.00 0.00 N ATOM 1249 CA VAL A 85 7.860 10.876 0.545 1.00 0.00 C ATOM 1250 C VAL A 85 6.795 10.295 1.477 1.00 0.00 C ATOM 1251 O VAL A 85 6.907 9.152 1.918 1.00 0.00 O ATOM 1252 CB VAL A 85 8.040 10.061 -0.738 1.00 0.00 C ATOM 1253 CG1 VAL A 85 7.008 10.466 -1.793 1.00 0.00 C ATOM 1254 CG2 VAL A 85 9.463 10.201 -1.282 1.00 0.00 C ATOM 0 H VAL A 85 9.236 10.291 2.011 1.00 0.00 H new ATOM 0 HA VAL A 85 7.521 11.866 0.241 1.00 0.00 H new ATOM 0 HB VAL A 85 7.877 9.011 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.157 9.872 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.004 10.291 -1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.126 11.523 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.564 9.612 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.667 11.249 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.174 9.842 -0.538 1.00 0.00 H new ATOM 1264 N ASN A 86 5.785 11.108 1.749 1.00 0.00 N ATOM 1265 CA ASN A 86 4.701 10.690 2.621 1.00 0.00 C ATOM 1266 C ASN A 86 3.440 10.460 1.785 1.00 0.00 C ATOM 1267 O ASN A 86 3.045 11.321 1.001 1.00 0.00 O ATOM 1268 CB ASN A 86 4.387 11.763 3.664 1.00 0.00 C ATOM 1269 CG ASN A 86 3.119 11.414 4.446 1.00 0.00 C ATOM 1270 OD1 ASN A 86 2.278 12.254 4.723 1.00 0.00 O ATOM 1271 ND2 ASN A 86 3.029 10.132 4.786 1.00 0.00 N ATOM 0 H ASN A 86 5.695 12.055 1.380 1.00 0.00 H new ATOM 0 HA ASN A 86 5.010 9.775 3.127 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.227 11.863 4.352 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.261 12.727 3.172 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.220 9.799 5.311 1.00 0.00 H new ATOM 0 HD22 ASN A 86 3.769 9.481 4.522 1.00 0.00 H new ATOM 1278 N TYR A 87 2.843 9.294 1.981 1.00 0.00 N ATOM 1279 CA TYR A 87 1.635 8.940 1.256 1.00 0.00 C ATOM 1280 C TYR A 87 0.958 7.717 1.879 1.00 0.00 C ATOM 1281 O TYR A 87 1.526 7.070 2.757 1.00 0.00 O ATOM 1282 CB TYR A 87 2.083 8.591 -0.165 1.00 0.00 C ATOM 1283 CG TYR A 87 3.496 8.008 -0.246 1.00 0.00 C ATOM 1284 CD1 TYR A 87 3.913 7.079 0.685 1.00 0.00 C ATOM 1285 CD2 TYR A 87 4.352 8.413 -1.249 1.00 0.00 C ATOM 1286 CE1 TYR A 87 5.243 6.530 0.609 1.00 0.00 C ATOM 1287 CE2 TYR A 87 5.682 7.865 -1.326 1.00 0.00 C ATOM 1288 CZ TYR A 87 6.061 6.951 -0.393 1.00 0.00 C ATOM 1289 OH TYR A 87 7.317 6.433 -0.465 1.00 0.00 O ATOM 0 H TYR A 87 3.174 8.582 2.632 1.00 0.00 H new ATOM 0 HA TYR A 87 0.920 9.762 1.280 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.380 7.875 -0.591 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.036 9.489 -0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.243 6.763 1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.025 9.141 -1.977 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.582 5.802 1.330 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.362 8.173 -2.106 1.00 0.00 H new ATOM 0 HH TYR A 87 7.897 6.890 0.179 1.00 0.00 H new ATOM 1299 N SER A 88 -0.245 7.438 1.401 1.00 0.00 N ATOM 1300 CA SER A 88 -1.005 6.305 1.901 1.00 0.00 C ATOM 1301 C SER A 88 -1.045 5.196 0.847 1.00 0.00 C ATOM 1302 O SER A 88 -0.473 5.340 -0.233 1.00 0.00 O ATOM 1303 CB SER A 88 -2.426 6.721 2.287 1.00 0.00 C ATOM 1304 OG SER A 88 -2.442 7.553 3.444 1.00 0.00 O ATOM 0 H SER A 88 -0.713 7.977 0.672 1.00 0.00 H new ATOM 0 HA SER A 88 -0.510 5.930 2.797 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.888 7.250 1.453 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.027 5.831 2.472 1.00 0.00 H new ATOM 0 HG SER A 88 -3.366 7.799 3.657 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.725 4.115 1.198 1.00 0.00 N ATOM 1311 CA PHE A 89 -1.847 2.982 0.296 1.00 0.00 C ATOM 1312 C PHE A 89 -3.181 2.261 0.498 1.00 0.00 C ATOM 1313 O PHE A 89 -3.495 1.828 1.606 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.705 2.021 0.629 1.00 0.00 C ATOM 1315 CG PHE A 89 0.685 2.657 0.559 1.00 0.00 C ATOM 1316 CD1 PHE A 89 1.139 3.411 1.596 1.00 0.00 C ATOM 1317 CD2 PHE A 89 1.465 2.469 -0.538 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.429 4.002 1.532 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.755 3.060 -0.602 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.209 3.814 0.434 1.00 0.00 C ATOM 0 H PHE A 89 -2.197 3.999 2.095 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.803 3.323 -0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.860 1.622 1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.742 1.177 -0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.519 3.560 2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.104 1.870 -1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.790 4.601 2.355 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.375 2.910 -1.474 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.190 4.264 0.385 1.00 0.00 H new ATOM 1330 N ARG A 90 -3.930 2.153 -0.589 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.223 1.492 -0.544 1.00 0.00 C ATOM 1332 C ARG A 90 -5.216 0.251 -1.440 1.00 0.00 C ATOM 1333 O ARG A 90 -4.232 -0.016 -2.128 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.340 2.434 -0.998 1.00 0.00 C ATOM 1335 CG ARG A 90 -6.154 2.840 -2.461 1.00 0.00 C ATOM 1336 CD ARG A 90 -6.500 4.316 -2.669 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.263 4.485 -3.926 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.032 5.547 -4.200 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.146 6.540 -3.309 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -8.688 5.615 -5.367 1.00 0.00 N ATOM 0 H ARG A 90 -3.666 2.512 -1.507 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.409 1.198 0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.306 1.945 -0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.349 3.324 -0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.123 2.658 -2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.787 2.221 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.086 4.683 -1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.587 4.910 -2.705 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.199 3.747 -4.627 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.647 6.488 -2.421 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.732 7.348 -3.518 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.601 4.858 -6.046 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.274 6.423 -5.576 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.324 -0.474 -1.402 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.458 -1.679 -2.202 1.00 0.00 C ATOM 1356 C VAL A 91 -7.854 -1.720 -2.826 1.00 0.00 C ATOM 1357 O VAL A 91 -8.849 -1.472 -2.146 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.149 -2.911 -1.348 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.134 -4.180 -2.201 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.827 -2.739 -0.597 1.00 0.00 C ATOM 0 H VAL A 91 -7.138 -0.250 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.737 -1.676 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.944 -3.014 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.912 -5.040 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.109 -4.315 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.370 -4.090 -2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.631 -3.628 0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.017 -2.598 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.890 -1.868 0.056 1.00 0.00 H new ATOM 1370 N MET A 92 -7.884 -2.035 -4.112 1.00 0.00 N ATOM 1371 CA MET A 92 -9.141 -2.111 -4.836 1.00 0.00 C ATOM 1372 C MET A 92 -9.385 -3.526 -5.365 1.00 0.00 C ATOM 1373 O MET A 92 -8.438 -4.264 -5.631 1.00 0.00 O ATOM 1374 CB MET A 92 -9.118 -1.126 -6.006 1.00 0.00 C ATOM 1375 CG MET A 92 -9.292 0.313 -5.514 1.00 0.00 C ATOM 1376 SD MET A 92 -8.061 1.367 -6.263 1.00 0.00 S ATOM 1377 CE MET A 92 -6.581 0.669 -5.550 1.00 0.00 C ATOM 0 H MET A 92 -7.057 -2.241 -4.672 1.00 0.00 H new ATOM 0 HA MET A 92 -9.949 -1.855 -4.150 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.175 -1.218 -6.545 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.913 -1.372 -6.709 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.291 0.673 -5.762 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.201 0.348 -4.428 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.050 1.438 -4.988 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.850 -0.149 -4.881 1.00 0.00 H new ATOM 0 HE3 MET A 92 -5.938 0.291 -6.345 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.659 -3.862 -5.501 1.00 0.00 N ATOM 1388 CA ALA A 93 -11.039 -5.175 -5.993 1.00 0.00 C ATOM 1389 C ALA A 93 -11.821 -5.019 -7.299 1.00 0.00 C ATOM 1390 O ALA A 93 -12.663 -4.130 -7.420 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.841 -5.911 -4.918 1.00 0.00 C ATOM 0 H ALA A 93 -11.442 -3.247 -5.279 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.155 -5.775 -6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.126 -6.896 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.231 -6.022 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.738 -5.340 -4.678 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.515 -5.896 -8.243 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.178 -5.867 -9.535 1.00 0.00 C ATOM 1399 C VAL A 94 -12.599 -7.287 -9.920 1.00 0.00 C ATOM 1400 O VAL A 94 -11.799 -8.218 -9.842 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.268 -5.211 -10.576 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.073 -4.740 -11.789 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.476 -4.056 -9.961 1.00 0.00 C ATOM 0 H VAL A 94 -10.816 -6.632 -8.139 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.083 -5.261 -9.486 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.555 -5.961 -10.918 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.403 -4.278 -12.513 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.571 -5.594 -12.249 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.820 -4.013 -11.470 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.837 -3.607 -10.722 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.167 -3.305 -9.578 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.859 -4.432 -9.145 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.855 -7.408 -10.326 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.392 -8.698 -10.723 1.00 0.00 C ATOM 1415 C ASN A 95 -15.136 -8.550 -12.051 1.00 0.00 C ATOM 1416 O ASN A 95 -15.015 -7.527 -12.724 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.382 -9.226 -9.682 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.608 -8.317 -9.581 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.897 -7.521 -10.460 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.310 -8.478 -8.463 1.00 0.00 N ATOM 0 H ASN A 95 -14.516 -6.633 -10.388 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.560 -9.396 -10.816 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.694 -10.235 -9.951 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.893 -9.292 -8.710 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.146 -7.917 -8.301 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -17.012 -9.163 -7.768 1.00 0.00 H new ATOM 1427 N SER A 96 -15.891 -9.585 -12.389 1.00 0.00 N ATOM 1428 CA SER A 96 -16.655 -9.582 -13.625 1.00 0.00 C ATOM 1429 C SER A 96 -17.436 -8.273 -13.754 1.00 0.00 C ATOM 1430 O SER A 96 -17.461 -7.664 -14.822 1.00 0.00 O ATOM 1431 CB SER A 96 -17.608 -10.777 -13.686 1.00 0.00 C ATOM 1432 OG SER A 96 -17.042 -11.876 -14.395 1.00 0.00 O ATOM 0 H SER A 96 -15.990 -10.431 -11.828 1.00 0.00 H new ATOM 0 HA SER A 96 -15.958 -9.665 -14.459 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.861 -11.091 -12.673 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.538 -10.475 -14.168 1.00 0.00 H new ATOM 0 HG SER A 96 -17.681 -12.619 -14.410 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.055 -7.879 -12.651 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.836 -6.654 -12.628 1.00 0.00 C ATOM 1440 C ILE A 97 -17.939 -5.476 -13.017 1.00 0.00 C ATOM 1441 O ILE A 97 -17.930 -5.054 -14.172 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.523 -6.482 -11.271 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.361 -7.713 -10.922 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.350 -5.195 -11.235 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.787 -7.577 -11.461 1.00 0.00 C ATOM 0 H ILE A 97 -18.032 -8.387 -11.767 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.640 -6.700 -13.363 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.752 -6.390 -10.506 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.894 -8.605 -11.339 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.388 -7.844 -9.840 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.828 -5.097 -10.260 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.698 -4.339 -11.408 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.114 -5.232 -12.011 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.361 -8.466 -11.199 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.259 -6.698 -11.023 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.757 -7.471 -12.545 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.207 -4.980 -12.030 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.310 -3.860 -12.255 1.00 0.00 C ATOM 1459 C GLY A 98 -15.366 -3.666 -11.066 1.00 0.00 C ATOM 1460 O GLY A 98 -15.132 -4.597 -10.297 1.00 0.00 O ATOM 0 H GLY A 98 -17.217 -5.333 -11.073 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.729 -4.031 -13.161 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.890 -2.951 -12.415 1.00 0.00 H new ATOM 1464 N LYS A 99 -14.850 -2.451 -10.953 1.00 0.00 N ATOM 1465 CA LYS A 99 -13.938 -2.123 -9.871 1.00 0.00 C ATOM 1466 C LYS A 99 -14.719 -1.463 -8.733 1.00 0.00 C ATOM 1467 O LYS A 99 -15.550 -0.588 -8.971 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.774 -1.276 -10.389 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.757 -1.003 -9.279 1.00 0.00 C ATOM 1470 CD LYS A 99 -10.372 -0.714 -9.863 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.191 0.781 -10.130 1.00 0.00 C ATOM 1472 NZ LYS A 99 -10.278 1.548 -8.867 1.00 0.00 N ATOM 0 H LYS A 99 -15.046 -1.682 -11.593 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.488 -3.029 -9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.285 -1.791 -11.216 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.153 -0.332 -10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.087 -0.155 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.702 -1.863 -8.612 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.603 -1.059 -9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.241 -1.271 -10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.225 0.957 -10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.955 1.127 -10.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.786 2.458 -8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.277 1.721 -8.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.832 1.005 -8.100 1.00 0.00 H new ATOM 1486 N SER A 100 -14.425 -1.908 -7.520 1.00 0.00 N ATOM 1487 CA SER A 100 -15.089 -1.372 -6.344 1.00 0.00 C ATOM 1488 C SER A 100 -14.346 -0.132 -5.844 1.00 0.00 C ATOM 1489 O SER A 100 -13.309 0.238 -6.391 1.00 0.00 O ATOM 1490 CB SER A 100 -15.178 -2.422 -5.235 1.00 0.00 C ATOM 1491 OG SER A 100 -13.903 -2.705 -4.665 1.00 0.00 O ATOM 0 H SER A 100 -13.735 -2.634 -7.326 1.00 0.00 H new ATOM 0 HA SER A 100 -16.105 -1.091 -6.622 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.854 -2.070 -4.456 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.607 -3.340 -5.638 1.00 0.00 H new ATOM 0 HG SER A 100 -13.964 -3.512 -4.112 1.00 0.00 H new ATOM 1497 N LEU A 101 -14.907 0.477 -4.809 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.310 1.668 -4.228 1.00 0.00 C ATOM 1499 C LEU A 101 -12.961 1.305 -3.604 1.00 0.00 C ATOM 1500 O LEU A 101 -12.689 0.134 -3.343 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.282 2.331 -3.249 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.374 3.201 -3.875 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.426 3.592 -2.835 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -15.770 4.425 -4.567 1.00 0.00 C ATOM 0 H LEU A 101 -15.768 0.168 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.114 2.412 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.761 1.550 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.707 2.946 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 101 -16.881 2.615 -4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.191 4.210 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -17.887 2.692 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -16.951 4.153 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.567 5.027 -5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -15.223 5.022 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.089 4.099 -5.353 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.132 2.358 -3.377 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.817 2.162 -2.788 1.00 0.00 C ATOM 1518 C PRO A 102 -10.925 1.879 -1.289 1.00 0.00 C ATOM 1519 O PRO A 102 -11.788 2.432 -0.609 1.00 0.00 O ATOM 1520 CB PRO A 102 -10.053 3.439 -3.098 1.00 0.00 C ATOM 1521 CG PRO A 102 -11.105 4.482 -3.438 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.421 3.758 -3.673 1.00 0.00 C ATOM 0 HA PRO A 102 -10.298 1.294 -3.196 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.454 3.753 -2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.366 3.291 -3.931 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.205 5.202 -2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.814 5.042 -4.326 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.207 4.146 -3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.764 3.883 -4.700 1.00 0.00 H new ATOM 1530 N SER A 103 -10.036 1.017 -0.817 1.00 0.00 N ATOM 1531 CA SER A 103 -10.020 0.653 0.590 1.00 0.00 C ATOM 1532 C SER A 103 -10.001 1.914 1.456 1.00 0.00 C ATOM 1533 O SER A 103 -9.579 2.977 1.003 1.00 0.00 O ATOM 1534 CB SER A 103 -8.816 -0.233 0.916 1.00 0.00 C ATOM 1535 OG SER A 103 -7.625 0.529 1.093 1.00 0.00 O ATOM 0 H SER A 103 -9.322 0.560 -1.384 1.00 0.00 H new ATOM 0 HA SER A 103 -10.924 0.084 0.807 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.020 -0.803 1.823 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.669 -0.955 0.112 1.00 0.00 H new ATOM 0 HG SER A 103 -7.653 0.984 1.961 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.465 1.755 2.687 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.506 2.867 3.621 1.00 0.00 C ATOM 1543 C GLU A 104 -9.278 3.760 3.438 1.00 0.00 C ATOM 1544 O GLU A 104 -9.369 4.834 2.845 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.611 2.368 5.064 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.988 2.681 5.653 1.00 0.00 C ATOM 1547 CD GLU A 104 -12.010 4.075 6.285 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -10.978 4.441 6.888 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -13.058 4.743 6.150 1.00 0.00 O ATOM 0 H GLU A 104 -10.816 0.872 3.059 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.396 3.460 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.434 1.293 5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.837 2.836 5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.744 2.620 4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.245 1.933 6.403 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.156 3.283 3.958 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.911 4.025 3.859 1.00 0.00 C ATOM 1558 C ALA A 105 -5.922 3.494 4.899 1.00 0.00 C ATOM 1559 O ALA A 105 -6.017 3.829 6.079 1.00 0.00 O ATOM 1560 CB ALA A 105 -7.191 5.519 4.030 1.00 0.00 C ATOM 0 H ALA A 105 -8.084 2.392 4.449 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.461 3.889 2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.257 6.075 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.875 5.853 3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.641 5.695 5.007 1.00 0.00 H new ATOM 1566 N SER A 106 -4.995 2.676 4.424 1.00 0.00 N ATOM 1567 CA SER A 106 -3.990 2.095 5.298 1.00 0.00 C ATOM 1568 C SER A 106 -3.139 3.202 5.924 1.00 0.00 C ATOM 1569 O SER A 106 -3.123 4.330 5.434 1.00 0.00 O ATOM 1570 CB SER A 106 -3.101 1.109 4.537 1.00 0.00 C ATOM 1571 OG SER A 106 -2.023 1.764 3.875 1.00 0.00 O ATOM 0 H SER A 106 -4.918 2.401 3.445 1.00 0.00 H new ATOM 0 HA SER A 106 -4.501 1.546 6.089 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.704 0.369 5.231 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.702 0.569 3.805 1.00 0.00 H new ATOM 0 HG SER A 106 -2.323 2.082 2.998 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.453 2.841 6.999 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.602 3.789 7.697 1.00 0.00 C ATOM 1579 C GLU A 107 -0.682 4.506 6.707 1.00 0.00 C ATOM 1580 O GLU A 107 -0.313 3.942 5.678 1.00 0.00 O ATOM 1581 CB GLU A 107 -0.793 3.096 8.795 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.361 1.695 8.355 1.00 0.00 C ATOM 1583 CD GLU A 107 1.117 1.454 8.670 1.00 0.00 C ATOM 1584 OE1 GLU A 107 1.948 1.832 7.817 1.00 0.00 O ATOM 1585 OE2 GLU A 107 1.381 0.896 9.757 1.00 0.00 O ATOM 0 H GLU A 107 -2.470 1.905 7.403 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.238 4.533 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.087 3.693 9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.390 3.028 9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.971 0.947 8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.533 1.577 7.285 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.337 5.738 7.053 1.00 0.00 N ATOM 1593 CA GLN A 108 0.533 6.537 6.207 1.00 0.00 C ATOM 1594 C GLN A 108 1.995 6.143 6.428 1.00 0.00 C ATOM 1595 O GLN A 108 2.610 6.551 7.412 1.00 0.00 O ATOM 1596 CB GLN A 108 0.323 8.031 6.462 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.607 8.640 5.411 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.411 10.155 5.318 1.00 0.00 C ATOM 1599 OE1 GLN A 108 0.636 10.692 5.638 1.00 0.00 O ATOM 1600 NE2 GLN A 108 -1.475 10.811 4.862 1.00 0.00 N ATOM 0 H GLN A 108 -0.644 6.202 7.908 1.00 0.00 H new ATOM 0 HA GLN A 108 0.277 6.340 5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.099 8.178 7.456 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.284 8.545 6.445 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.413 8.184 4.440 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.644 8.419 5.665 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.321 10.299 4.612 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -1.445 11.826 4.763 1.00 0.00 H new ATOM 1609 N TYR A 109 2.509 5.355 5.495 1.00 0.00 N ATOM 1610 CA TYR A 109 3.887 4.901 5.575 1.00 0.00 C ATOM 1611 C TYR A 109 4.853 5.998 5.120 1.00 0.00 C ATOM 1612 O TYR A 109 4.746 6.499 4.002 1.00 0.00 O ATOM 1613 CB TYR A 109 3.996 3.713 4.618 1.00 0.00 C ATOM 1614 CG TYR A 109 5.078 2.701 5.002 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.300 3.142 5.470 1.00 0.00 C ATOM 1616 CD2 TYR A 109 4.832 1.349 4.881 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.318 2.190 5.832 1.00 0.00 C ATOM 1618 CE2 TYR A 109 5.850 0.397 5.243 1.00 0.00 C ATOM 1619 CZ TYR A 109 7.043 0.864 5.700 1.00 0.00 C ATOM 1620 OH TYR A 109 8.004 -0.035 6.042 1.00 0.00 O ATOM 0 H TYR A 109 1.996 5.019 4.680 1.00 0.00 H new ATOM 0 HA TYR A 109 4.145 4.637 6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 109 3.034 3.203 4.578 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.201 4.086 3.615 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.492 4.201 5.565 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.876 1.005 4.515 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.278 2.521 6.200 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.670 -0.664 5.154 1.00 0.00 H new ATOM 0 HH TYR A 109 7.668 -0.944 5.897 1.00 0.00 H new ATOM 1630 N LEU A 110 5.773 6.338 6.010 1.00 0.00 N ATOM 1631 CA LEU A 110 6.756 7.366 5.714 1.00 0.00 C ATOM 1632 C LEU A 110 8.161 6.792 5.907 1.00 0.00 C ATOM 1633 O LEU A 110 8.558 6.473 7.027 1.00 0.00 O ATOM 1634 CB LEU A 110 6.486 8.622 6.546 1.00 0.00 C ATOM 1635 CG LEU A 110 6.644 9.957 5.815 1.00 0.00 C ATOM 1636 CD1 LEU A 110 6.493 11.132 6.783 1.00 0.00 C ATOM 1637 CD2 LEU A 110 7.968 10.010 5.051 1.00 0.00 C ATOM 0 H LEU A 110 5.859 5.920 6.936 1.00 0.00 H new ATOM 0 HA LEU A 110 6.678 7.679 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.471 8.563 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.159 8.618 7.403 1.00 0.00 H new ATOM 0 HG LEU A 110 5.844 10.041 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.610 12.069 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.505 11.100 7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.256 11.065 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.055 10.969 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.796 9.894 5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.997 9.204 4.317 1.00 0.00 H new