USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 581 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 95 ASN : amide:sc= 0.874 K(o=1.1,f=0.094) USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0.243 USER MOD Set 2.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 88 HIS :FLIP no HD1:sc= -0.164 F(o=-2.6,f=-0.19) USER MOD Set 2.3: A 89 ASN :FLIP amide:sc= -0.0282 F(o=-4,f=-0.19) USER MOD Set 3.1: A 22 ASN :FLIP amide:sc= -0.631 F(o=-2.7,f=-0.95) USER MOD Set 3.2: A 23 HIS :FLIP no HD1:sc= -0.321 F(o=-2.6,f=-0.95) USER MOD Single : A 12 TYR OH : rot 15:sc= -0.0439 USER MOD Single : A 13 GLN : amide:sc= -0.0843 X(o=-0.084,f=-0.0082) USER MOD Single : A 14 GLN :FLIP amide:sc= -4.88! C(o=-7.7!,f=-4.9!) USER MOD Single : A 15 MET CE :methyl 160:sc= -7.1! (180deg=-8.16!) USER MOD Single : A 20 MET CE :methyl -108:sc= -6.27! (180deg=-12.1!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -144:sc= -0.251 (180deg=-0.965) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc=-0.000388 X(o=-0.00039,f=-0.00039) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 MET CE :methyl -179:sc= -1.27 (180deg=-1.31) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.125 F(o=-0.76,f=-0.13) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 172:sc= -5.18! (180deg=-5.29!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -133:sc= -17.5! (180deg=-22!) USER MOD Single : A 72 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.9!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 150:sc= -7.38! (180deg=-8.13!) USER MOD Single : A 82 GLN : amide:sc= -0.696 K(o=-0.7,f=-4.7!) USER MOD Single : A 84 MET CE :methyl -146:sc= -0.738 (180deg=-1.95!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 148:sc= -0.173 (180deg=-2.17) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 11 6.443 -9.173 -7.515 1.00 0.00 N ATOM 146 CA CYS A 11 5.206 -8.697 -6.966 1.00 0.00 C ATOM 147 C CYS A 11 5.179 -7.194 -7.010 1.00 0.00 C ATOM 148 O CYS A 11 4.250 -6.639 -7.534 1.00 0.00 O ATOM 149 CB CYS A 11 5.014 -9.145 -5.520 1.00 0.00 C ATOM 150 SG CYS A 11 5.522 -10.825 -5.084 1.00 0.00 S ATOM 0 HA CYS A 11 4.400 -9.117 -7.567 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.561 -8.453 -4.879 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.957 -9.040 -5.274 1.00 0.00 H new ATOM 155 N TYR A 12 6.223 -6.522 -6.541 1.00 0.00 N ATOM 156 CA TYR A 12 6.369 -5.083 -6.634 1.00 0.00 C ATOM 157 C TYR A 12 5.997 -4.559 -8.016 1.00 0.00 C ATOM 158 O TYR A 12 5.312 -3.556 -8.142 1.00 0.00 O ATOM 159 CB TYR A 12 7.829 -4.767 -6.336 1.00 0.00 C ATOM 160 CG TYR A 12 8.112 -3.312 -6.054 1.00 0.00 C ATOM 161 CD1 TYR A 12 7.863 -2.320 -7.017 1.00 0.00 C ATOM 162 CD2 TYR A 12 8.673 -2.945 -4.824 1.00 0.00 C ATOM 163 CE1 TYR A 12 8.107 -0.969 -6.737 1.00 0.00 C ATOM 164 CE2 TYR A 12 8.923 -1.587 -4.532 1.00 0.00 C ATOM 165 CZ TYR A 12 8.620 -0.592 -5.484 1.00 0.00 C ATOM 166 OH TYR A 12 8.941 0.697 -5.225 1.00 0.00 O ATOM 0 H TYR A 12 7.008 -6.977 -6.075 1.00 0.00 H new ATOM 0 HA TYR A 12 5.697 -4.599 -5.925 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.147 -5.358 -5.477 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.436 -5.084 -7.184 1.00 0.00 H new ATOM 0 HD1 TYR A 12 7.478 -2.602 -7.986 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.915 -3.705 -4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.901 -0.217 -7.484 1.00 0.00 H new ATOM 0 HE2 TYR A 12 9.347 -1.310 -3.578 1.00 0.00 H new ATOM 0 HH TYR A 12 8.544 1.277 -5.908 1.00 0.00 H new ATOM 176 N GLN A 13 6.394 -5.281 -9.059 1.00 0.00 N ATOM 177 CA GLN A 13 6.053 -4.923 -10.410 1.00 0.00 C ATOM 178 C GLN A 13 4.570 -5.111 -10.710 1.00 0.00 C ATOM 179 O GLN A 13 3.984 -4.270 -11.366 1.00 0.00 O ATOM 180 CB GLN A 13 6.887 -5.765 -11.382 1.00 0.00 C ATOM 181 CG GLN A 13 7.264 -4.923 -12.605 1.00 0.00 C ATOM 182 CD GLN A 13 8.473 -4.051 -12.317 1.00 0.00 C ATOM 183 OE1 GLN A 13 9.612 -4.486 -12.359 1.00 0.00 O ATOM 184 NE2 GLN A 13 8.250 -2.818 -11.924 1.00 0.00 N ATOM 0 H GLN A 13 6.959 -6.126 -8.980 1.00 0.00 H new ATOM 0 HA GLN A 13 6.273 -3.863 -10.534 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.788 -6.125 -10.885 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.322 -6.643 -11.694 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.477 -5.578 -13.450 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.420 -4.296 -12.893 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.296 -2.458 -11.890 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.031 -2.220 -11.652 1.00 0.00 H new ATOM 193 N GLN A 14 3.968 -6.189 -10.217 1.00 0.00 N ATOM 194 CA GLN A 14 2.547 -6.416 -10.343 1.00 0.00 C ATOM 195 C GLN A 14 1.728 -5.461 -9.474 1.00 0.00 C ATOM 196 O GLN A 14 0.528 -5.367 -9.629 1.00 0.00 O ATOM 197 CB GLN A 14 2.254 -7.894 -10.040 1.00 0.00 C ATOM 198 CG GLN A 14 1.743 -8.118 -8.626 1.00 0.00 C ATOM 199 CD GLN A 14 2.028 -9.496 -8.071 1.00 0.00 C ATOM 200 OE1 GLN A 14 2.297 -9.595 -6.782 1.00 0.00 O flip ATOM 201 NE2 GLN A 14 2.094 -10.479 -8.760 1.00 0.00 N flip ATOM 0 H GLN A 14 4.462 -6.929 -9.718 1.00 0.00 H new ATOM 0 HA GLN A 14 2.238 -6.200 -11.366 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.516 -8.266 -10.751 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.163 -8.477 -10.189 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.192 -7.374 -7.968 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.666 -7.949 -8.610 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.889 -10.417 -9.757 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.355 -11.374 -8.347 1.00 0.00 H new ATOM 210 N MET A 15 2.346 -4.856 -8.464 1.00 0.00 N ATOM 211 CA MET A 15 1.705 -3.996 -7.526 1.00 0.00 C ATOM 212 C MET A 15 1.414 -2.686 -8.205 1.00 0.00 C ATOM 213 O MET A 15 0.271 -2.286 -8.277 1.00 0.00 O ATOM 214 CB MET A 15 2.587 -3.760 -6.302 1.00 0.00 C ATOM 215 CG MET A 15 2.789 -5.046 -5.520 1.00 0.00 C ATOM 216 SD MET A 15 2.516 -4.732 -3.783 1.00 0.00 S ATOM 217 CE MET A 15 4.223 -4.270 -3.407 1.00 0.00 C ATOM 0 H MET A 15 3.344 -4.968 -8.286 1.00 0.00 H new ATOM 0 HA MET A 15 0.781 -4.463 -7.185 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.553 -3.366 -6.616 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.130 -3.008 -5.659 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.100 -5.813 -5.875 1.00 0.00 H new ATOM 0 HG3 MET A 15 3.798 -5.426 -5.678 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.249 -3.696 -2.481 1.00 0.00 H new ATOM 0 HE2 MET A 15 4.827 -5.170 -3.293 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.624 -3.665 -4.220 1.00 0.00 H new ATOM 227 N GLU A 16 2.443 -2.022 -8.697 1.00 0.00 N ATOM 228 CA GLU A 16 2.305 -0.711 -9.308 1.00 0.00 C ATOM 229 C GLU A 16 1.491 -0.831 -10.575 1.00 0.00 C ATOM 230 O GLU A 16 0.556 -0.068 -10.782 1.00 0.00 O ATOM 231 CB GLU A 16 3.671 -0.123 -9.652 1.00 0.00 C ATOM 232 CG GLU A 16 4.706 -0.419 -8.565 1.00 0.00 C ATOM 233 CD GLU A 16 5.537 0.812 -8.250 1.00 0.00 C ATOM 234 OE1 GLU A 16 6.125 1.367 -9.206 1.00 0.00 O ATOM 235 OE2 GLU A 16 5.735 1.061 -7.048 1.00 0.00 O ATOM 0 H GLU A 16 3.400 -2.376 -8.685 1.00 0.00 H new ATOM 0 HA GLU A 16 1.807 -0.052 -8.597 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.014 -0.532 -10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.580 0.955 -9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.201 -0.761 -7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.359 -1.228 -8.891 1.00 0.00 H new ATOM 242 N GLU A 17 1.783 -1.864 -11.377 1.00 0.00 N ATOM 243 CA GLU A 17 1.024 -2.131 -12.590 1.00 0.00 C ATOM 244 C GLU A 17 -0.453 -2.389 -12.301 1.00 0.00 C ATOM 245 O GLU A 17 -1.314 -2.153 -13.140 1.00 0.00 O ATOM 246 CB GLU A 17 1.609 -3.335 -13.337 1.00 0.00 C ATOM 247 CG GLU A 17 1.308 -3.242 -14.839 1.00 0.00 C ATOM 248 CD GLU A 17 0.430 -4.409 -15.310 1.00 0.00 C ATOM 249 OE1 GLU A 17 -0.785 -4.404 -15.021 1.00 0.00 O ATOM 250 OE2 GLU A 17 0.995 -5.330 -15.945 1.00 0.00 O ATOM 0 H GLU A 17 2.541 -2.524 -11.201 1.00 0.00 H new ATOM 0 HA GLU A 17 1.098 -1.238 -13.210 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.687 -3.378 -13.179 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.191 -4.257 -12.934 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.806 -2.298 -15.053 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.243 -3.240 -15.399 1.00 0.00 H new ATOM 257 N ALA A 18 -0.757 -2.779 -11.066 1.00 0.00 N ATOM 258 CA ALA A 18 -2.097 -2.993 -10.623 1.00 0.00 C ATOM 259 C ALA A 18 -2.406 -2.165 -9.416 1.00 0.00 C ATOM 260 O ALA A 18 -3.122 -2.682 -8.569 1.00 0.00 O ATOM 261 CB ALA A 18 -2.293 -4.478 -10.349 1.00 0.00 C ATOM 0 H ALA A 18 -0.055 -2.953 -10.347 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.792 -2.680 -11.402 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.314 -4.654 -10.010 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.112 -5.044 -11.263 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.594 -4.801 -9.578 1.00 0.00 H new ATOM 267 N GLU A 19 -1.892 -0.928 -9.327 1.00 0.00 N ATOM 268 CA GLU A 19 -2.068 0.032 -8.247 1.00 0.00 C ATOM 269 C GLU A 19 -3.379 -0.192 -7.492 1.00 0.00 C ATOM 270 O GLU A 19 -4.450 0.368 -7.776 1.00 0.00 O ATOM 271 CB GLU A 19 -1.991 1.477 -8.763 1.00 0.00 C ATOM 272 CG GLU A 19 -2.267 1.604 -10.269 1.00 0.00 C ATOM 273 CD GLU A 19 -2.844 2.963 -10.645 1.00 0.00 C ATOM 274 OE1 GLU A 19 -2.223 3.988 -10.291 1.00 0.00 O ATOM 275 OE2 GLU A 19 -3.996 3.003 -11.147 1.00 0.00 O ATOM 0 H GLU A 19 -1.300 -0.553 -10.068 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.247 -0.129 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.709 2.088 -8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.001 1.879 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.340 1.442 -10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.961 0.821 -10.575 1.00 0.00 H new ATOM 282 N MET A 20 -3.298 -1.057 -6.484 1.00 0.00 N ATOM 283 CA MET A 20 -4.483 -1.546 -5.812 1.00 0.00 C ATOM 284 C MET A 20 -4.482 -0.875 -4.471 1.00 0.00 C ATOM 285 O MET A 20 -5.515 -0.525 -3.936 1.00 0.00 O ATOM 286 CB MET A 20 -4.494 -3.071 -5.643 1.00 0.00 C ATOM 287 CG MET A 20 -3.216 -3.584 -5.009 1.00 0.00 C ATOM 288 SD MET A 20 -2.028 -4.119 -6.216 1.00 0.00 S ATOM 289 CE MET A 20 -0.541 -3.483 -5.448 1.00 0.00 C ATOM 0 H MET A 20 -2.421 -1.429 -6.120 1.00 0.00 H new ATOM 0 HA MET A 20 -5.371 -1.318 -6.402 1.00 0.00 H new ATOM 0 HB2 MET A 20 -5.345 -3.361 -5.027 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.630 -3.542 -6.616 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.777 -2.797 -4.395 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.452 -4.414 -4.343 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.177 -2.626 -6.015 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.762 -3.175 -4.426 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.223 -4.260 -5.435 1.00 0.00 H new ATOM 299 N LEU A 21 -3.313 -0.593 -3.911 1.00 0.00 N ATOM 300 CA LEU A 21 -3.166 0.032 -2.630 1.00 0.00 C ATOM 301 C LEU A 21 -2.915 1.516 -2.834 1.00 0.00 C ATOM 302 O LEU A 21 -2.590 2.222 -1.886 1.00 0.00 O ATOM 303 CB LEU A 21 -2.062 -0.675 -1.848 1.00 0.00 C ATOM 304 CG LEU A 21 -2.505 -1.910 -1.047 1.00 0.00 C ATOM 305 CD1 LEU A 21 -3.468 -1.575 0.099 1.00 0.00 C ATOM 306 CD2 LEU A 21 -3.103 -2.944 -1.947 1.00 0.00 C ATOM 0 H LEU A 21 -2.422 -0.805 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.074 -0.058 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.282 -0.977 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.613 0.041 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.602 -2.313 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.742 -2.490 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.982 -0.890 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.365 -1.106 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.408 -3.808 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.972 -2.526 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.365 -3.253 -2.687 1.00 0.00 H new ATOM 318 N ASN A 22 -3.154 2.002 -4.057 1.00 0.00 N ATOM 319 CA ASN A 22 -3.027 3.402 -4.384 1.00 0.00 C ATOM 320 C ASN A 22 -4.353 4.099 -4.111 1.00 0.00 C ATOM 321 O ASN A 22 -4.407 5.274 -3.780 1.00 0.00 O ATOM 322 CB ASN A 22 -2.621 3.544 -5.859 1.00 0.00 C ATOM 323 CG ASN A 22 -3.590 4.361 -6.702 1.00 0.00 C ATOM 324 OD1 ASN A 22 -4.519 3.670 -7.308 1.00 0.00 O flip ATOM 325 ND2 ASN A 22 -3.743 5.561 -6.594 1.00 0.00 N flip ATOM 0 H ASN A 22 -3.442 1.420 -4.844 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.257 3.868 -3.769 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.635 4.007 -5.909 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.528 2.549 -6.295 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.034 6.125 -6.126 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.580 6.004 -6.972 1.00 0.00 H new ATOM 332 N HIS A 23 -5.466 3.363 -4.234 1.00 0.00 N ATOM 333 CA HIS A 23 -6.780 3.929 -4.062 1.00 0.00 C ATOM 334 C HIS A 23 -7.073 4.027 -2.575 1.00 0.00 C ATOM 335 O HIS A 23 -7.378 5.100 -2.062 1.00 0.00 O ATOM 336 CB HIS A 23 -7.824 3.074 -4.789 1.00 0.00 C ATOM 337 CG HIS A 23 -7.929 3.388 -6.262 1.00 0.00 C ATOM 338 ND1 HIS A 23 -7.173 2.856 -7.271 1.00 0.00 N flip ATOM 339 CD2 HIS A 23 -8.847 4.250 -6.828 1.00 0.00 C flip ATOM 340 CE1 HIS A 23 -7.592 3.446 -8.459 1.00 0.00 C flip ATOM 341 NE2 HIS A 23 -8.626 4.266 -8.162 1.00 0.00 N flip ATOM 0 H HIS A 23 -5.465 2.367 -4.454 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.823 4.928 -4.496 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.571 2.021 -4.666 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.797 3.225 -4.322 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.605 4.810 -6.301 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.169 3.280 -9.439 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.157 4.812 -8.840 1.00 0.00 H new ATOM 350 N CYS A 24 -7.017 2.891 -1.873 1.00 0.00 N ATOM 351 CA CYS A 24 -7.209 2.893 -0.439 1.00 0.00 C ATOM 352 C CYS A 24 -6.178 3.792 0.222 1.00 0.00 C ATOM 353 O CYS A 24 -6.472 4.314 1.268 1.00 0.00 O ATOM 354 CB CYS A 24 -7.118 1.468 0.123 1.00 0.00 C ATOM 355 SG CYS A 24 -8.762 0.742 0.315 1.00 0.00 S ATOM 0 H CYS A 24 -6.841 1.972 -2.279 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.205 3.280 -0.222 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.518 0.848 -0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.609 1.485 1.087 1.00 0.00 H new ATOM 360 N GLY A 25 -5.035 4.044 -0.416 1.00 0.00 N ATOM 361 CA GLY A 25 -4.005 4.921 0.063 1.00 0.00 C ATOM 362 C GLY A 25 -4.449 6.350 0.105 1.00 0.00 C ATOM 363 O GLY A 25 -4.379 6.921 1.173 1.00 0.00 O ATOM 0 H GLY A 25 -4.807 3.618 -1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.700 4.608 1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.129 4.834 -0.580 1.00 0.00 H new ATOM 367 N MET A 26 -4.985 6.893 -0.987 1.00 0.00 N ATOM 368 CA MET A 26 -5.461 8.270 -1.054 1.00 0.00 C ATOM 369 C MET A 26 -6.420 8.584 0.079 1.00 0.00 C ATOM 370 O MET A 26 -6.339 9.631 0.690 1.00 0.00 O ATOM 371 CB MET A 26 -6.233 8.475 -2.353 1.00 0.00 C ATOM 372 CG MET A 26 -5.302 8.588 -3.546 1.00 0.00 C ATOM 373 SD MET A 26 -6.234 8.923 -5.065 1.00 0.00 S ATOM 374 CE MET A 26 -5.376 10.448 -5.552 1.00 0.00 C ATOM 0 H MET A 26 -5.102 6.380 -1.861 1.00 0.00 H new ATOM 0 HA MET A 26 -4.587 8.919 -0.990 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.919 7.642 -2.504 1.00 0.00 H new ATOM 0 HB3 MET A 26 -6.839 9.378 -2.278 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.580 9.386 -3.374 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.735 7.664 -3.659 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.804 10.826 -6.480 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.491 11.197 -4.768 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.317 10.238 -5.700 1.00 0.00 H new ATOM 384 N TYR A 27 -7.294 7.641 0.432 1.00 0.00 N ATOM 385 CA TYR A 27 -8.192 7.771 1.564 1.00 0.00 C ATOM 386 C TYR A 27 -7.463 8.042 2.877 1.00 0.00 C ATOM 387 O TYR A 27 -7.928 8.792 3.727 1.00 0.00 O ATOM 388 CB TYR A 27 -8.966 6.462 1.669 1.00 0.00 C ATOM 389 CG TYR A 27 -10.027 6.441 2.738 1.00 0.00 C ATOM 390 CD1 TYR A 27 -9.699 6.072 4.058 1.00 0.00 C ATOM 391 CD2 TYR A 27 -11.345 6.798 2.409 1.00 0.00 C ATOM 392 CE1 TYR A 27 -10.688 6.066 5.060 1.00 0.00 C ATOM 393 CE2 TYR A 27 -12.339 6.786 3.405 1.00 0.00 C ATOM 394 CZ TYR A 27 -12.011 6.433 4.732 1.00 0.00 C ATOM 395 OH TYR A 27 -12.990 6.404 5.667 1.00 0.00 O ATOM 0 H TYR A 27 -7.394 6.759 -0.070 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.846 8.627 1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.435 6.255 0.707 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.261 5.653 1.860 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.685 5.793 4.302 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.594 7.080 1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.436 5.783 6.071 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.356 7.048 3.153 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.836 6.689 5.264 1.00 0.00 H new ATOM 405 N LEU A 28 -6.302 7.428 3.047 1.00 0.00 N ATOM 406 CA LEU A 28 -5.474 7.565 4.216 1.00 0.00 C ATOM 407 C LEU A 28 -4.525 8.738 4.036 1.00 0.00 C ATOM 408 O LEU A 28 -4.177 9.373 5.017 1.00 0.00 O ATOM 409 CB LEU A 28 -4.705 6.274 4.500 1.00 0.00 C ATOM 410 CG LEU A 28 -5.427 4.967 4.121 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.460 3.927 3.552 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.219 4.431 5.282 1.00 0.00 C ATOM 0 H LEU A 28 -5.905 6.802 2.347 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.113 7.759 5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.757 6.312 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.468 6.241 5.563 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.135 5.198 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.009 3.020 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.983 4.325 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.698 3.693 4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.718 3.508 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.549 4.230 6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.965 5.166 5.584 1.00 0.00 H new ATOM 424 N MET A 29 -4.198 9.101 2.793 1.00 0.00 N ATOM 425 CA MET A 29 -3.379 10.221 2.409 1.00 0.00 C ATOM 426 C MET A 29 -4.185 11.487 2.203 1.00 0.00 C ATOM 427 O MET A 29 -3.650 12.531 1.851 1.00 0.00 O ATOM 428 CB MET A 29 -2.564 9.883 1.165 1.00 0.00 C ATOM 429 CG MET A 29 -1.102 10.275 1.338 1.00 0.00 C ATOM 430 SD MET A 29 -0.677 11.781 0.463 1.00 0.00 S ATOM 431 CE MET A 29 -0.224 12.790 1.866 1.00 0.00 C ATOM 0 H MET A 29 -4.528 8.575 1.984 1.00 0.00 H new ATOM 0 HA MET A 29 -2.696 10.419 3.235 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.635 8.815 0.961 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.982 10.401 0.302 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.889 10.404 2.399 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.468 9.463 0.982 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.536 13.819 1.690 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.716 12.410 2.761 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.857 12.757 2.004 1.00 0.00 H new ATOM 441 N LYS A 30 -5.476 11.445 2.522 1.00 0.00 N ATOM 442 CA LYS A 30 -6.367 12.567 2.346 1.00 0.00 C ATOM 443 C LYS A 30 -6.197 13.510 3.513 1.00 0.00 C ATOM 444 O LYS A 30 -6.411 14.706 3.356 1.00 0.00 O ATOM 445 CB LYS A 30 -7.812 12.062 2.207 1.00 0.00 C ATOM 446 CG LYS A 30 -8.341 12.387 0.798 1.00 0.00 C ATOM 447 CD LYS A 30 -8.895 13.821 0.743 1.00 0.00 C ATOM 448 CE LYS A 30 -10.352 13.819 0.260 1.00 0.00 C ATOM 449 NZ LYS A 30 -11.174 14.747 1.066 1.00 0.00 N ATOM 0 H LYS A 30 -5.928 10.619 2.913 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.128 13.113 1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.850 10.987 2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.445 12.530 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.540 12.273 0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.123 11.679 0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.834 14.278 1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.285 14.427 0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.392 14.109 -0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.761 12.811 0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.155 14.730 0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.151 14.454 2.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.794 15.711 0.980 1.00 0.00 H new ATOM 463 N ASN A 31 -5.789 12.971 4.669 1.00 0.00 N ATOM 464 CA ASN A 31 -5.480 13.774 5.834 1.00 0.00 C ATOM 465 C ASN A 31 -3.977 13.981 5.991 1.00 0.00 C ATOM 466 O ASN A 31 -3.536 14.689 6.892 1.00 0.00 O ATOM 467 CB ASN A 31 -6.025 13.068 7.076 1.00 0.00 C ATOM 468 CG ASN A 31 -6.267 14.066 8.189 1.00 0.00 C ATOM 469 OD1 ASN A 31 -7.158 14.891 8.123 1.00 0.00 O ATOM 470 ND2 ASN A 31 -5.494 13.979 9.245 1.00 0.00 N ATOM 0 H ASN A 31 -5.668 11.968 4.812 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.942 14.753 5.711 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.955 12.555 6.831 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.319 12.307 7.409 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.634 14.611 10.033 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.753 13.279 9.278 1.00 0.00 H new ATOM 758 N GLN A 49 -13.837 0.097 -2.474 1.00 0.00 N ATOM 759 CA GLN A 49 -13.407 -1.267 -2.733 1.00 0.00 C ATOM 760 C GLN A 49 -12.578 -1.326 -4.000 1.00 0.00 C ATOM 761 O GLN A 49 -12.270 -2.407 -4.477 1.00 0.00 O ATOM 762 CB GLN A 49 -14.621 -2.199 -2.807 1.00 0.00 C ATOM 763 CG GLN A 49 -14.673 -3.098 -1.568 1.00 0.00 C ATOM 764 CD GLN A 49 -15.935 -3.938 -1.574 1.00 0.00 C ATOM 765 OE1 GLN A 49 -16.891 -3.662 -0.877 1.00 0.00 O ATOM 766 NE2 GLN A 49 -15.969 -4.952 -2.414 1.00 0.00 N ATOM 0 HA GLN A 49 -12.777 -1.606 -1.911 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.536 -1.611 -2.878 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.565 -2.811 -3.707 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.797 -3.747 -1.545 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.640 -2.487 -0.666 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.154 -5.165 -2.989 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.810 -5.524 -2.489 1.00 0.00 H new ATOM 775 N LEU A 50 -12.143 -0.173 -4.517 1.00 0.00 N ATOM 776 CA LEU A 50 -11.299 -0.118 -5.691 1.00 0.00 C ATOM 777 C LEU A 50 -9.902 -0.648 -5.371 1.00 0.00 C ATOM 778 O LEU A 50 -9.142 -0.977 -6.273 1.00 0.00 O ATOM 779 CB LEU A 50 -11.250 1.333 -6.199 1.00 0.00 C ATOM 780 CG LEU A 50 -12.376 1.643 -7.211 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.538 3.153 -7.307 1.00 0.00 C ATOM 782 CD2 LEU A 50 -12.059 1.042 -8.580 1.00 0.00 C ATOM 0 H LEU A 50 -12.371 0.741 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.711 -0.753 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.329 2.014 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.283 1.518 -6.667 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.309 1.195 -6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.330 3.390 -8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.798 3.554 -6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.602 3.599 -7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.866 1.274 -9.275 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.126 1.462 -8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.959 -0.039 -8.488 1.00 0.00 H new ATOM 794 N CYS A 51 -9.559 -0.736 -4.078 1.00 0.00 N ATOM 795 CA CYS A 51 -8.319 -1.298 -3.633 1.00 0.00 C ATOM 796 C CYS A 51 -8.455 -2.783 -3.426 1.00 0.00 C ATOM 797 O CYS A 51 -7.684 -3.511 -4.029 1.00 0.00 O ATOM 798 CB CYS A 51 -7.861 -0.608 -2.348 1.00 0.00 C ATOM 799 SG CYS A 51 -8.867 -0.905 -0.873 1.00 0.00 S ATOM 0 H CYS A 51 -10.157 -0.409 -3.319 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.563 -1.134 -4.401 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.840 -0.925 -2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.830 0.466 -2.530 1.00 0.00 H new ATOM 804 N CYS A 52 -9.485 -3.226 -2.683 1.00 0.00 N ATOM 805 CA CYS A 52 -9.765 -4.631 -2.466 1.00 0.00 C ATOM 806 C CYS A 52 -10.092 -5.316 -3.799 1.00 0.00 C ATOM 807 O CYS A 52 -10.071 -6.532 -3.898 1.00 0.00 O ATOM 808 CB CYS A 52 -10.887 -4.811 -1.443 1.00 0.00 C ATOM 809 SG CYS A 52 -10.862 -6.423 -0.593 1.00 0.00 S ATOM 0 H CYS A 52 -10.144 -2.602 -2.218 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.876 -5.109 -2.054 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.817 -4.018 -0.699 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.846 -4.692 -1.946 1.00 0.00 H new ATOM 814 N MET A 53 -10.356 -4.530 -4.848 1.00 0.00 N ATOM 815 CA MET A 53 -10.657 -5.010 -6.166 1.00 0.00 C ATOM 816 C MET A 53 -9.431 -5.630 -6.805 1.00 0.00 C ATOM 817 O MET A 53 -9.314 -6.849 -6.858 1.00 0.00 O ATOM 818 CB MET A 53 -11.167 -3.857 -7.028 1.00 0.00 C ATOM 819 CG MET A 53 -11.383 -4.335 -8.460 1.00 0.00 C ATOM 820 SD MET A 53 -10.210 -3.580 -9.590 1.00 0.00 S ATOM 821 CE MET A 53 -10.017 -4.923 -10.782 1.00 0.00 C ATOM 0 H MET A 53 -10.362 -3.512 -4.782 1.00 0.00 H new ATOM 0 HA MET A 53 -11.429 -5.776 -6.090 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.101 -3.472 -6.619 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.450 -3.036 -7.014 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.283 -5.420 -8.502 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.399 -4.096 -8.775 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.302 -4.628 -11.550 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.653 -5.814 -10.270 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.979 -5.139 -11.246 1.00 0.00 H new ATOM 831 N GLN A 54 -8.498 -4.795 -7.278 1.00 0.00 N ATOM 832 CA GLN A 54 -7.284 -5.273 -7.915 1.00 0.00 C ATOM 833 C GLN A 54 -6.437 -6.051 -6.916 1.00 0.00 C ATOM 834 O GLN A 54 -5.548 -6.794 -7.296 1.00 0.00 O ATOM 835 CB GLN A 54 -6.469 -4.095 -8.454 1.00 0.00 C ATOM 836 CG GLN A 54 -6.759 -3.822 -9.930 1.00 0.00 C ATOM 837 CD GLN A 54 -6.921 -2.338 -10.196 1.00 0.00 C ATOM 838 OE1 GLN A 54 -7.732 -1.654 -9.409 1.00 0.00 O flip ATOM 839 NE2 GLN A 54 -6.353 -1.783 -11.107 1.00 0.00 N flip ATOM 0 H GLN A 54 -8.570 -3.779 -7.227 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.565 -5.927 -8.741 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.693 -3.202 -7.870 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.406 -4.301 -8.326 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.947 -4.216 -10.541 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.666 -4.348 -10.228 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.727 -2.311 -11.715 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.500 -0.787 -11.268 1.00 0.00 H new ATOM 848 N LEU A 55 -6.734 -5.932 -5.622 1.00 0.00 N ATOM 849 CA LEU A 55 -6.082 -6.705 -4.606 1.00 0.00 C ATOM 850 C LEU A 55 -6.416 -8.183 -4.730 1.00 0.00 C ATOM 851 O LEU A 55 -5.550 -9.006 -4.486 1.00 0.00 O ATOM 852 CB LEU A 55 -6.504 -6.190 -3.237 1.00 0.00 C ATOM 853 CG LEU A 55 -5.517 -5.193 -2.613 1.00 0.00 C ATOM 854 CD1 LEU A 55 -6.172 -4.372 -1.484 1.00 0.00 C ATOM 855 CD2 LEU A 55 -4.250 -5.932 -2.143 1.00 0.00 C ATOM 0 H LEU A 55 -7.440 -5.289 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.004 -6.598 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.480 -5.713 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.623 -7.038 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.221 -4.472 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.442 -3.678 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.017 -3.812 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.521 -5.045 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.555 -5.218 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.521 -6.682 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.776 -6.420 -2.995 1.00 0.00 H new ATOM 867 N LYS A 56 -7.634 -8.528 -5.163 1.00 0.00 N ATOM 868 CA LYS A 56 -7.991 -9.911 -5.457 1.00 0.00 C ATOM 869 C LYS A 56 -7.334 -10.409 -6.757 1.00 0.00 C ATOM 870 O LYS A 56 -7.489 -11.555 -7.157 1.00 0.00 O ATOM 871 CB LYS A 56 -9.522 -10.022 -5.461 1.00 0.00 C ATOM 872 CG LYS A 56 -9.980 -11.452 -5.796 1.00 0.00 C ATOM 873 CD LYS A 56 -11.123 -11.903 -4.901 1.00 0.00 C ATOM 874 CE LYS A 56 -11.913 -13.023 -5.582 1.00 0.00 C ATOM 875 NZ LYS A 56 -13.324 -12.979 -5.149 1.00 0.00 N ATOM 0 H LYS A 56 -8.390 -7.860 -5.317 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.601 -10.573 -4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.912 -9.733 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.937 -9.325 -6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.295 -11.498 -6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.140 -12.138 -5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.731 -12.253 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.781 -11.061 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.853 -12.916 -6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.477 -13.991 -5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.854 -13.742 -5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.375 -13.102 -4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.738 -12.061 -5.409 1.00 0.00 H new ATOM 889 N ASN A 57 -6.672 -9.519 -7.486 1.00 0.00 N ATOM 890 CA ASN A 57 -5.920 -9.890 -8.662 1.00 0.00 C ATOM 891 C ASN A 57 -4.453 -10.165 -8.343 1.00 0.00 C ATOM 892 O ASN A 57 -3.741 -10.679 -9.202 1.00 0.00 O ATOM 893 CB ASN A 57 -6.008 -8.742 -9.674 1.00 0.00 C ATOM 894 CG ASN A 57 -6.864 -9.105 -10.852 1.00 0.00 C ATOM 895 OD1 ASN A 57 -6.574 -9.973 -11.647 1.00 0.00 O ATOM 896 ND2 ASN A 57 -8.008 -8.463 -10.962 1.00 0.00 N ATOM 0 H ASN A 57 -6.646 -8.522 -7.273 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.346 -10.808 -9.066 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.417 -7.857 -9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.007 -8.482 -10.018 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.653 -8.696 -11.717 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.250 -7.733 -10.292 1.00 0.00 H new ATOM 903 N LEU A 58 -3.985 -9.714 -7.173 1.00 0.00 N ATOM 904 CA LEU A 58 -2.630 -9.946 -6.737 1.00 0.00 C ATOM 905 C LEU A 58 -2.408 -11.432 -6.441 1.00 0.00 C ATOM 906 O LEU A 58 -3.238 -12.288 -6.733 1.00 0.00 O ATOM 907 CB LEU A 58 -2.325 -9.030 -5.534 1.00 0.00 C ATOM 908 CG LEU A 58 -1.530 -7.785 -5.910 1.00 0.00 C ATOM 909 CD1 LEU A 58 -1.540 -6.810 -4.744 1.00 0.00 C ATOM 910 CD2 LEU A 58 -0.099 -8.154 -6.179 1.00 0.00 C ATOM 0 H LEU A 58 -4.547 -9.179 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.926 -9.691 -7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.264 -8.727 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.768 -9.596 -4.787 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.981 -7.338 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.972 -5.919 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.568 -6.530 -4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.087 -7.281 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.463 -7.259 -6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.336 -8.601 -5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.056 -8.869 -7.000 1.00 0.00 H new ATOM 922 N ASP A 59 -1.257 -11.740 -5.856 1.00 0.00 N ATOM 923 CA ASP A 59 -0.939 -13.099 -5.492 1.00 0.00 C ATOM 924 C ASP A 59 -1.210 -13.302 -4.024 1.00 0.00 C ATOM 925 O ASP A 59 -0.725 -12.523 -3.204 1.00 0.00 O ATOM 926 CB ASP A 59 0.544 -13.366 -5.787 1.00 0.00 C ATOM 927 CG ASP A 59 0.768 -14.404 -6.878 1.00 0.00 C ATOM 928 OD1 ASP A 59 0.075 -14.327 -7.910 1.00 0.00 O ATOM 929 OD2 ASP A 59 1.660 -15.249 -6.646 1.00 0.00 O ATOM 0 H ASP A 59 -0.532 -11.060 -5.627 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.555 -13.789 -6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.022 -12.432 -6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.034 -13.700 -4.872 1.00 0.00 H new ATOM 934 N GLU A 60 -1.768 -14.448 -3.648 1.00 0.00 N ATOM 935 CA GLU A 60 -2.029 -14.765 -2.248 1.00 0.00 C ATOM 936 C GLU A 60 -0.730 -14.950 -1.469 1.00 0.00 C ATOM 937 O GLU A 60 -0.708 -14.963 -0.239 1.00 0.00 O ATOM 938 CB GLU A 60 -2.880 -16.040 -2.147 1.00 0.00 C ATOM 939 CG GLU A 60 -4.177 -15.775 -1.372 1.00 0.00 C ATOM 940 CD GLU A 60 -5.386 -15.785 -2.308 1.00 0.00 C ATOM 941 OE1 GLU A 60 -5.433 -14.903 -3.189 1.00 0.00 O ATOM 942 OE2 GLU A 60 -6.249 -16.672 -2.129 1.00 0.00 O ATOM 0 H GLU A 60 -2.051 -15.179 -4.300 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.572 -13.927 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.117 -16.403 -3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.309 -16.824 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.305 -16.533 -0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.112 -14.812 -0.866 1.00 0.00 H new ATOM 949 N LYS A 61 0.391 -15.078 -2.192 1.00 0.00 N ATOM 950 CA LYS A 61 1.713 -15.146 -1.614 1.00 0.00 C ATOM 951 C LYS A 61 2.445 -13.819 -1.697 1.00 0.00 C ATOM 952 O LYS A 61 3.455 -13.634 -1.023 1.00 0.00 O ATOM 953 CB LYS A 61 2.474 -16.263 -2.323 1.00 0.00 C ATOM 954 CG LYS A 61 2.004 -17.635 -1.799 1.00 0.00 C ATOM 955 CD LYS A 61 3.196 -18.469 -1.303 1.00 0.00 C ATOM 956 CE LYS A 61 3.015 -19.946 -1.663 1.00 0.00 C ATOM 957 NZ LYS A 61 4.090 -20.392 -2.580 1.00 0.00 N ATOM 0 H LYS A 61 0.390 -15.137 -3.210 1.00 0.00 H new ATOM 0 HA LYS A 61 1.637 -15.366 -0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.311 -16.200 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.545 -16.148 -2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.291 -17.494 -0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.483 -18.173 -2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.118 -18.093 -1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.295 -18.363 -0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.028 -20.551 -0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.043 -20.095 -2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.952 -21.396 -2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.060 -19.826 -3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.014 -20.268 -2.119 1.00 0.00 H new ATOM 971 N CYS A 62 1.948 -12.876 -2.492 1.00 0.00 N ATOM 972 CA CYS A 62 2.458 -11.532 -2.565 1.00 0.00 C ATOM 973 C CYS A 62 1.556 -10.564 -1.794 1.00 0.00 C ATOM 974 O CYS A 62 1.910 -9.415 -1.557 1.00 0.00 O ATOM 975 CB CYS A 62 2.594 -11.127 -4.022 1.00 0.00 C ATOM 976 SG CYS A 62 3.839 -12.003 -5.012 1.00 0.00 S ATOM 0 H CYS A 62 1.158 -13.041 -3.116 1.00 0.00 H new ATOM 0 HA CYS A 62 3.442 -11.492 -2.098 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.625 -11.261 -4.502 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.822 -10.062 -4.057 1.00 0.00 H new ATOM 981 N MET A 63 0.437 -11.023 -1.262 1.00 0.00 N ATOM 982 CA MET A 63 -0.502 -10.207 -0.550 1.00 0.00 C ATOM 983 C MET A 63 -0.084 -10.166 0.899 1.00 0.00 C ATOM 984 O MET A 63 -0.728 -10.692 1.763 1.00 0.00 O ATOM 985 CB MET A 63 -1.896 -10.784 -0.717 1.00 0.00 C ATOM 986 CG MET A 63 -2.563 -10.342 -2.009 1.00 0.00 C ATOM 987 SD MET A 63 -3.627 -11.605 -2.724 1.00 0.00 S ATOM 988 CE MET A 63 -4.576 -12.070 -1.266 1.00 0.00 C ATOM 0 H MET A 63 0.158 -12.002 -1.321 1.00 0.00 H new ATOM 0 HA MET A 63 -0.517 -9.189 -0.940 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.839 -11.872 -0.696 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.514 -10.481 0.128 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.152 -9.445 -1.818 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.795 -10.071 -2.733 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.383 -12.743 -1.556 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.923 -12.572 -0.552 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.997 -11.176 -0.806 1.00 0.00 H new ATOM 998 N CYS A 64 1.038 -9.559 1.216 1.00 0.00 N ATOM 999 CA CYS A 64 1.580 -9.492 2.563 1.00 0.00 C ATOM 1000 C CYS A 64 2.981 -8.929 2.488 1.00 0.00 C ATOM 1001 O CYS A 64 3.233 -7.861 3.039 1.00 0.00 O ATOM 1002 CB CYS A 64 1.581 -10.855 3.299 1.00 0.00 C ATOM 1003 SG CYS A 64 3.040 -11.229 4.344 1.00 0.00 S ATOM 0 H CYS A 64 1.619 -9.083 0.526 1.00 0.00 H new ATOM 0 HA CYS A 64 0.930 -8.843 3.150 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.692 -10.902 3.928 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.486 -11.644 2.553 1.00 0.00 H new ATOM 1008 N PRO A 65 3.875 -9.604 1.742 1.00 0.00 N ATOM 1009 CA PRO A 65 5.244 -9.165 1.601 1.00 0.00 C ATOM 1010 C PRO A 65 5.344 -7.997 0.640 1.00 0.00 C ATOM 1011 O PRO A 65 6.163 -7.101 0.820 1.00 0.00 O ATOM 1012 CB PRO A 65 6.018 -10.382 1.086 1.00 0.00 C ATOM 1013 CG PRO A 65 4.977 -11.350 0.511 1.00 0.00 C ATOM 1014 CD PRO A 65 3.640 -10.847 1.009 1.00 0.00 C ATOM 0 HA PRO A 65 5.652 -8.809 2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.738 -10.089 0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.582 -10.852 1.892 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.011 -11.361 -0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.162 -12.370 0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.961 -10.675 0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.169 -11.588 1.655 1.00 0.00 H new ATOM 1022 N ALA A 66 4.485 -7.985 -0.381 1.00 0.00 N ATOM 1023 CA ALA A 66 4.444 -6.931 -1.341 1.00 0.00 C ATOM 1024 C ALA A 66 3.880 -5.695 -0.692 1.00 0.00 C ATOM 1025 O ALA A 66 4.567 -4.695 -0.738 1.00 0.00 O ATOM 1026 CB ALA A 66 3.616 -7.361 -2.537 1.00 0.00 C ATOM 0 H ALA A 66 3.801 -8.723 -0.548 1.00 0.00 H new ATOM 0 HA ALA A 66 5.449 -6.704 -1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.587 -6.553 -3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.064 -8.245 -2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.602 -7.594 -2.213 1.00 0.00 H new ATOM 1032 N ILE A 67 2.730 -5.772 -0.018 1.00 0.00 N ATOM 1033 CA ILE A 67 2.113 -4.637 0.659 1.00 0.00 C ATOM 1034 C ILE A 67 3.178 -3.772 1.342 1.00 0.00 C ATOM 1035 O ILE A 67 3.164 -2.558 1.240 1.00 0.00 O ATOM 1036 CB ILE A 67 1.096 -5.144 1.686 1.00 0.00 C ATOM 1037 CG1 ILE A 67 -0.068 -5.866 0.964 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.636 -3.982 2.591 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.432 -5.344 1.381 1.00 0.00 C ATOM 0 H ILE A 67 2.197 -6.637 0.072 1.00 0.00 H new ATOM 0 HA ILE A 67 1.599 -4.021 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 67 1.557 -5.882 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.048 -5.746 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.013 -6.934 1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.087 -4.351 3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.497 -3.566 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.173 -3.207 1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.209 -5.887 0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.565 -5.488 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.502 -4.282 1.146 1.00 0.00 H new ATOM 1051 N MET A 68 4.178 -4.390 1.962 1.00 0.00 N ATOM 1052 CA MET A 68 5.308 -3.680 2.501 1.00 0.00 C ATOM 1053 C MET A 68 5.933 -2.706 1.512 1.00 0.00 C ATOM 1054 O MET A 68 5.786 -1.500 1.702 1.00 0.00 O ATOM 1055 CB MET A 68 6.349 -4.685 2.974 1.00 0.00 C ATOM 1056 CG MET A 68 7.053 -4.158 4.209 1.00 0.00 C ATOM 1057 SD MET A 68 8.715 -4.858 4.334 1.00 0.00 S ATOM 1058 CE MET A 68 8.731 -5.269 6.090 1.00 0.00 C ATOM 0 H MET A 68 4.218 -5.400 2.100 1.00 0.00 H new ATOM 0 HA MET A 68 4.946 -3.079 3.335 1.00 0.00 H new ATOM 0 HB2 MET A 68 5.871 -5.639 3.197 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.075 -4.869 2.182 1.00 0.00 H new ATOM 0 HG2 MET A 68 7.112 -3.070 4.166 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.477 -4.411 5.099 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.690 -5.716 6.350 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.582 -4.363 6.677 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.930 -5.977 6.305 1.00 0.00 H new ATOM 1068 N MET A 69 6.530 -3.233 0.434 1.00 0.00 N ATOM 1069 CA MET A 69 7.110 -2.453 -0.615 1.00 0.00 C ATOM 1070 C MET A 69 6.142 -1.471 -1.237 1.00 0.00 C ATOM 1071 O MET A 69 6.552 -0.412 -1.687 1.00 0.00 O ATOM 1072 CB MET A 69 7.627 -3.383 -1.696 1.00 0.00 C ATOM 1073 CG MET A 69 8.886 -4.118 -1.258 1.00 0.00 C ATOM 1074 SD MET A 69 10.240 -2.965 -0.906 1.00 0.00 S ATOM 1075 CE MET A 69 10.974 -3.810 0.508 1.00 0.00 C ATOM 0 H MET A 69 6.614 -4.238 0.284 1.00 0.00 H new ATOM 0 HA MET A 69 7.916 -1.870 -0.169 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.854 -4.108 -1.952 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.837 -2.809 -2.599 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.672 -4.711 -0.369 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.193 -4.814 -2.039 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.832 -3.242 0.866 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.236 -3.894 1.305 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.298 -4.806 0.208 1.00 0.00 H new ATOM 1085 N MET A 70 4.858 -1.806 -1.236 1.00 0.00 N ATOM 1086 CA MET A 70 3.832 -0.949 -1.774 1.00 0.00 C ATOM 1087 C MET A 70 3.874 0.378 -1.059 1.00 0.00 C ATOM 1088 O MET A 70 3.541 1.389 -1.643 1.00 0.00 O ATOM 1089 CB MET A 70 2.456 -1.612 -1.617 1.00 0.00 C ATOM 1090 CG MET A 70 1.347 -0.737 -1.016 1.00 0.00 C ATOM 1091 SD MET A 70 0.478 -1.515 0.331 1.00 0.00 S ATOM 1092 CE MET A 70 -0.477 -0.109 0.899 1.00 0.00 C ATOM 0 H MET A 70 4.507 -2.686 -0.858 1.00 0.00 H new ATOM 0 HA MET A 70 4.007 -0.785 -2.837 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.127 -1.956 -2.598 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.571 -2.497 -0.991 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.783 0.198 -0.664 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.633 -0.481 -1.799 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.401 -0.032 1.984 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.090 0.802 0.442 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.522 -0.241 0.617 1.00 0.00 H new ATOM 1102 N LEU A 71 4.133 0.370 0.249 1.00 0.00 N ATOM 1103 CA LEU A 71 4.165 1.575 1.045 1.00 0.00 C ATOM 1104 C LEU A 71 5.603 2.057 1.184 1.00 0.00 C ATOM 1105 O LEU A 71 5.920 2.867 2.050 1.00 0.00 O ATOM 1106 CB LEU A 71 3.527 1.302 2.400 1.00 0.00 C ATOM 1107 CG LEU A 71 2.075 0.862 2.337 1.00 0.00 C ATOM 1108 CD1 LEU A 71 1.824 -0.347 3.243 1.00 0.00 C ATOM 1109 CD2 LEU A 71 1.114 1.977 2.669 1.00 0.00 C ATOM 0 H LEU A 71 4.326 -0.480 0.778 1.00 0.00 H new ATOM 0 HA LEU A 71 3.595 2.365 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.105 0.531 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.594 2.205 3.007 1.00 0.00 H new ATOM 0 HG LEU A 71 1.887 0.572 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.776 -0.640 3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.453 -1.178 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.064 -0.085 4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.091 1.606 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.310 2.338 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.246 2.794 1.960 1.00 0.00 H new ATOM 1121 N ASN A 72 6.502 1.533 0.364 1.00 0.00 N ATOM 1122 CA ASN A 72 7.883 1.930 0.289 1.00 0.00 C ATOM 1123 C ASN A 72 8.231 2.522 -1.062 1.00 0.00 C ATOM 1124 O ASN A 72 9.385 2.896 -1.273 1.00 0.00 O ATOM 1125 CB ASN A 72 8.761 0.709 0.563 1.00 0.00 C ATOM 1126 CG ASN A 72 8.549 0.132 1.936 1.00 0.00 C ATOM 1127 OD1 ASN A 72 8.441 -1.049 2.172 1.00 0.00 O ATOM 1128 ND2 ASN A 72 8.634 0.968 2.937 1.00 0.00 N ATOM 0 H ASN A 72 6.269 0.788 -0.292 1.00 0.00 H new ATOM 0 HA ASN A 72 8.059 2.704 1.036 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.552 -0.057 -0.184 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.809 0.988 0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.609 0.620 3.896 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.726 1.968 2.760 1.00 0.00 H new ATOM 1135 N GLU A 73 7.265 2.542 -1.975 1.00 0.00 N ATOM 1136 CA GLU A 73 7.466 3.059 -3.299 1.00 0.00 C ATOM 1137 C GLU A 73 7.714 4.568 -3.253 1.00 0.00 C ATOM 1138 O GLU A 73 7.603 5.204 -2.190 1.00 0.00 O ATOM 1139 CB GLU A 73 6.274 2.655 -4.183 1.00 0.00 C ATOM 1140 CG GLU A 73 5.192 3.751 -4.255 1.00 0.00 C ATOM 1141 CD GLU A 73 4.014 3.326 -5.116 1.00 0.00 C ATOM 1142 OE1 GLU A 73 3.539 2.186 -4.925 1.00 0.00 O ATOM 1143 OE2 GLU A 73 3.492 4.227 -5.810 1.00 0.00 O ATOM 0 H GLU A 73 6.321 2.195 -1.804 1.00 0.00 H new ATOM 0 HA GLU A 73 8.361 2.627 -3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.631 2.435 -5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.832 1.738 -3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.842 3.983 -3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.627 4.665 -4.660 1.00 0.00 H new ATOM 1150 N PRO A 74 7.979 5.179 -4.423 1.00 0.00 N ATOM 1151 CA PRO A 74 8.072 6.615 -4.563 1.00 0.00 C ATOM 1152 C PRO A 74 6.736 7.350 -4.414 1.00 0.00 C ATOM 1153 O PRO A 74 6.429 8.298 -5.131 1.00 0.00 O ATOM 1154 CB PRO A 74 8.725 6.842 -5.927 1.00 0.00 C ATOM 1155 CG PRO A 74 8.459 5.575 -6.742 1.00 0.00 C ATOM 1156 CD PRO A 74 8.014 4.536 -5.739 1.00 0.00 C ATOM 0 HA PRO A 74 8.664 7.039 -3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.303 7.718 -6.420 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.795 7.020 -5.822 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.691 5.747 -7.496 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.356 5.252 -7.270 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.030 4.147 -6.001 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.701 3.690 -5.734 1.00 0.00 H new ATOM 1164 N MET A 75 5.967 7.000 -3.392 1.00 0.00 N ATOM 1165 CA MET A 75 4.691 7.592 -3.132 1.00 0.00 C ATOM 1166 C MET A 75 4.225 7.225 -1.756 1.00 0.00 C ATOM 1167 O MET A 75 3.034 7.238 -1.526 1.00 0.00 O ATOM 1168 CB MET A 75 3.674 7.106 -4.166 1.00 0.00 C ATOM 1169 CG MET A 75 2.523 8.108 -4.295 1.00 0.00 C ATOM 1170 SD MET A 75 1.277 7.527 -5.461 1.00 0.00 S ATOM 1171 CE MET A 75 0.295 6.510 -4.329 1.00 0.00 C ATOM 0 H MET A 75 6.230 6.282 -2.717 1.00 0.00 H new ATOM 0 HA MET A 75 4.784 8.676 -3.199 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.162 6.976 -5.132 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.285 6.131 -3.872 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.065 8.267 -3.319 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.912 9.071 -4.625 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.535 6.059 -4.872 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.923 5.724 -3.908 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.094 7.134 -3.524 1.00 0.00 H new ATOM 1181 N TRP A 76 5.128 6.927 -0.815 1.00 0.00 N ATOM 1182 CA TRP A 76 4.804 6.566 0.550 1.00 0.00 C ATOM 1183 C TRP A 76 6.007 6.748 1.449 1.00 0.00 C ATOM 1184 O TRP A 76 6.835 5.853 1.593 1.00 0.00 O ATOM 1185 CB TRP A 76 4.250 5.142 0.593 1.00 0.00 C ATOM 1186 CG TRP A 76 2.909 4.927 -0.024 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.630 4.186 -1.118 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.673 5.610 0.289 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.296 4.313 -1.458 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.671 5.219 -0.645 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.327 6.575 1.242 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.634 5.699 -0.588 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 0.030 7.097 1.286 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -0.950 6.634 0.403 1.00 0.00 C ATOM 0 H TRP A 76 6.131 6.934 -0.998 1.00 0.00 H new ATOM 0 HA TRP A 76 4.028 7.231 0.928 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.963 4.484 0.096 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.199 4.828 1.635 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.347 3.580 -1.652 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.839 3.801 -2.213 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.067 6.919 1.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.382 5.359 -1.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.216 7.863 2.007 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.962 7.002 0.487 1.00 0.00 H new ATOM 1205 N ILE A 77 6.144 7.942 2.049 1.00 0.00 N ATOM 1206 CA ILE A 77 7.330 8.293 2.829 1.00 0.00 C ATOM 1207 C ILE A 77 6.915 8.675 4.223 1.00 0.00 C ATOM 1208 O ILE A 77 6.078 8.005 4.800 1.00 0.00 O ATOM 1209 CB ILE A 77 8.206 9.350 2.128 1.00 0.00 C ATOM 1210 CG1 ILE A 77 8.196 9.199 0.603 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.637 9.298 2.701 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.644 7.795 0.172 1.00 0.00 C ATOM 0 H ILE A 77 5.441 8.680 2.005 1.00 0.00 H new ATOM 0 HA ILE A 77 7.978 7.420 2.905 1.00 0.00 H new ATOM 0 HB ILE A 77 7.782 10.333 2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.193 9.394 0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.855 9.945 0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.255 10.046 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.608 9.504 3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.060 8.308 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.624 7.725 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.657 7.611 0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.969 7.052 0.596 1.00 0.00 H new ATOM 1224 N ARG A 78 7.407 9.791 4.749 1.00 0.00 N ATOM 1225 CA ARG A 78 6.984 10.344 6.022 1.00 0.00 C ATOM 1226 C ARG A 78 5.478 10.546 6.092 1.00 0.00 C ATOM 1227 O ARG A 78 4.915 10.644 7.155 1.00 0.00 O ATOM 1228 CB ARG A 78 7.678 11.685 6.278 1.00 0.00 C ATOM 1229 CG ARG A 78 7.454 12.673 5.114 1.00 0.00 C ATOM 1230 CD ARG A 78 8.718 13.493 4.838 1.00 0.00 C ATOM 1231 NE ARG A 78 8.720 14.732 5.633 1.00 0.00 N ATOM 1232 CZ ARG A 78 7.920 15.764 5.444 1.00 0.00 C ATOM 1233 NH1 ARG A 78 7.052 15.767 4.468 1.00 0.00 N ATOM 1234 NH2 ARG A 78 7.986 16.806 6.220 1.00 0.00 N ATOM 0 H ARG A 78 8.128 10.346 4.288 1.00 0.00 H new ATOM 0 HA ARG A 78 7.267 9.621 6.787 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.300 12.120 7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.747 11.521 6.416 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.169 12.124 4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.628 13.342 5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.601 12.900 5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.775 13.736 3.777 1.00 0.00 H new ATOM 0 HE ARG A 78 9.396 14.798 6.394 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.987 14.965 3.841 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.439 16.571 4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.661 16.831 6.984 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.362 17.598 6.064 1.00 0.00 H new ATOM 1248 N MET A 79 4.833 10.664 4.938 1.00 0.00 N ATOM 1249 CA MET A 79 3.404 10.772 4.842 1.00 0.00 C ATOM 1250 C MET A 79 2.745 9.426 5.015 1.00 0.00 C ATOM 1251 O MET A 79 1.667 9.358 5.546 1.00 0.00 O ATOM 1252 CB MET A 79 3.026 11.329 3.477 1.00 0.00 C ATOM 1253 CG MET A 79 3.825 10.672 2.348 1.00 0.00 C ATOM 1254 SD MET A 79 3.055 11.024 0.770 1.00 0.00 S ATOM 1255 CE MET A 79 2.935 9.352 0.171 1.00 0.00 C ATOM 0 H MET A 79 5.306 10.687 4.035 1.00 0.00 H new ATOM 0 HA MET A 79 3.061 11.438 5.634 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.961 11.175 3.305 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.198 12.405 3.464 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.850 11.043 2.353 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.875 9.595 2.506 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.069 9.262 -0.484 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.838 9.099 -0.384 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.825 8.670 1.014 1.00 0.00 H new ATOM 1265 N ARG A 80 3.377 8.330 4.610 1.00 0.00 N ATOM 1266 CA ARG A 80 2.878 7.012 4.826 1.00 0.00 C ATOM 1267 C ARG A 80 2.696 6.718 6.299 1.00 0.00 C ATOM 1268 O ARG A 80 2.033 5.751 6.568 1.00 0.00 O ATOM 1269 CB ARG A 80 3.764 5.968 4.196 1.00 0.00 C ATOM 1270 CG ARG A 80 3.169 4.559 4.239 1.00 0.00 C ATOM 1271 CD ARG A 80 4.019 3.587 5.057 1.00 0.00 C ATOM 1272 NE ARG A 80 5.420 3.648 4.640 1.00 0.00 N ATOM 1273 CZ ARG A 80 6.389 2.842 4.983 1.00 0.00 C ATOM 1274 NH1 ARG A 80 6.157 1.850 5.788 1.00 0.00 N ATOM 1275 NH2 ARG A 80 7.602 3.046 4.564 1.00 0.00 N ATOM 0 H ARG A 80 4.268 8.353 4.114 1.00 0.00 H new ATOM 0 HA ARG A 80 1.902 6.967 4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.955 6.242 3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.727 5.963 4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.166 4.605 4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.068 4.180 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.939 3.829 6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.641 2.572 4.933 1.00 0.00 H new ATOM 0 HE ARG A 80 5.669 4.409 4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.217 1.699 6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.915 1.222 6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.806 3.843 3.960 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.350 2.410 4.839 1.00 0.00 H new ATOM 1289 N ASP A 81 3.236 7.496 7.216 1.00 0.00 N ATOM 1290 CA ASP A 81 3.101 7.305 8.647 1.00 0.00 C ATOM 1291 C ASP A 81 1.701 6.815 9.026 1.00 0.00 C ATOM 1292 O ASP A 81 1.528 5.725 9.547 1.00 0.00 O ATOM 1293 CB ASP A 81 3.329 8.631 9.360 1.00 0.00 C ATOM 1294 CG ASP A 81 4.325 8.558 10.495 1.00 0.00 C ATOM 1295 OD1 ASP A 81 4.167 7.646 11.334 1.00 0.00 O ATOM 1296 OD2 ASP A 81 5.263 9.381 10.464 1.00 0.00 O ATOM 0 H ASP A 81 3.802 8.310 6.976 1.00 0.00 H new ATOM 0 HA ASP A 81 3.837 6.557 8.944 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.675 9.367 8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.376 8.991 9.749 1.00 0.00 H new ATOM 1301 N GLN A 82 0.665 7.550 8.618 1.00 0.00 N ATOM 1302 CA GLN A 82 -0.693 7.217 8.962 1.00 0.00 C ATOM 1303 C GLN A 82 -1.113 5.966 8.279 1.00 0.00 C ATOM 1304 O GLN A 82 -1.297 4.968 8.965 1.00 0.00 O ATOM 1305 CB GLN A 82 -1.660 8.322 8.581 1.00 0.00 C ATOM 1306 CG GLN A 82 -1.965 9.213 9.775 1.00 0.00 C ATOM 1307 CD GLN A 82 -0.867 10.214 10.098 1.00 0.00 C ATOM 1308 OE1 GLN A 82 0.300 9.921 10.166 1.00 0.00 O ATOM 1309 NE2 GLN A 82 -1.207 11.469 10.234 1.00 0.00 N ATOM 0 H GLN A 82 0.757 8.387 8.043 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.719 7.083 10.043 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.235 8.920 7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.584 7.887 8.202 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.891 9.755 9.583 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.138 8.585 10.649 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.189 11.740 10.180 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.490 12.177 10.394 1.00 0.00 H new ATOM 1318 N VAL A 83 -1.293 6.029 6.956 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.554 4.899 6.083 1.00 0.00 C ATOM 1320 C VAL A 83 -0.856 3.648 6.597 1.00 0.00 C ATOM 1321 O VAL A 83 -1.417 2.583 6.522 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.160 5.168 4.625 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -0.404 6.451 4.468 1.00 0.00 C ATOM 1324 CG2 VAL A 83 -0.398 4.045 3.989 1.00 0.00 C ATOM 0 H VAL A 83 -1.258 6.913 6.449 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.632 4.740 6.097 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.109 5.253 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.148 6.596 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.022 7.282 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.509 6.410 5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.154 4.308 2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.522 3.868 4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.007 3.141 3.998 1.00 0.00 H new ATOM 1334 N MET A 84 0.378 3.730 7.073 1.00 0.00 N ATOM 1335 CA MET A 84 1.144 2.670 7.659 1.00 0.00 C ATOM 1336 C MET A 84 0.296 1.828 8.592 1.00 0.00 C ATOM 1337 O MET A 84 0.058 0.652 8.307 1.00 0.00 O ATOM 1338 CB MET A 84 2.311 3.223 8.463 1.00 0.00 C ATOM 1339 CG MET A 84 3.474 2.274 8.490 1.00 0.00 C ATOM 1340 SD MET A 84 4.519 2.523 9.933 1.00 0.00 S ATOM 1341 CE MET A 84 4.893 4.292 9.728 1.00 0.00 C ATOM 0 H MET A 84 0.896 4.608 7.052 1.00 0.00 H new ATOM 0 HA MET A 84 1.510 2.056 6.836 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.628 4.174 8.035 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.985 3.426 9.483 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.105 1.249 8.483 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.069 2.404 7.586 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.904 4.494 10.083 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.818 4.560 8.674 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.181 4.883 10.304 1.00 0.00 H new ATOM 1351 N SER A 85 -0.262 2.444 9.644 1.00 0.00 N ATOM 1352 CA SER A 85 -1.169 1.797 10.562 1.00 0.00 C ATOM 1353 C SER A 85 -2.594 1.796 10.026 1.00 0.00 C ATOM 1354 O SER A 85 -3.562 1.879 10.771 1.00 0.00 O ATOM 1355 CB SER A 85 -1.107 2.460 11.935 1.00 0.00 C ATOM 1356 OG SER A 85 -1.401 1.490 12.933 1.00 0.00 O ATOM 0 H SER A 85 -0.083 3.422 9.872 1.00 0.00 H new ATOM 0 HA SER A 85 -0.855 0.759 10.666 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.117 2.885 12.103 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.820 3.283 11.988 1.00 0.00 H new ATOM 0 HG SER A 85 -1.362 1.909 13.818 1.00 0.00 H new ATOM 1362 N MET A 86 -2.765 1.591 8.722 1.00 0.00 N ATOM 1363 CA MET A 86 -4.053 1.539 8.075 1.00 0.00 C ATOM 1364 C MET A 86 -4.080 0.579 6.907 1.00 0.00 C ATOM 1365 O MET A 86 -4.948 -0.272 6.817 1.00 0.00 O ATOM 1366 CB MET A 86 -4.392 2.928 7.573 1.00 0.00 C ATOM 1367 CG MET A 86 -5.145 3.747 8.602 1.00 0.00 C ATOM 1368 SD MET A 86 -6.708 2.939 9.010 1.00 0.00 S ATOM 1369 CE MET A 86 -7.460 4.243 9.988 1.00 0.00 C ATOM 0 H MET A 86 -1.985 1.454 8.079 1.00 0.00 H new ATOM 0 HA MET A 86 -4.780 1.184 8.806 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.473 3.447 7.301 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.992 2.847 6.667 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.540 3.862 9.501 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.334 4.748 8.215 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.443 3.920 10.330 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.829 4.461 10.850 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.565 5.141 9.379 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.048 0.568 6.079 1.00 0.00 N ATOM 1380 CA ALA A 87 -2.882 -0.341 4.990 1.00 0.00 C ATOM 1381 C ALA A 87 -2.349 -1.665 5.499 1.00 0.00 C ATOM 1382 O ALA A 87 -1.973 -2.507 4.714 1.00 0.00 O ATOM 1383 CB ALA A 87 -1.943 0.270 3.973 1.00 0.00 C ATOM 0 H ALA A 87 -2.276 1.229 6.164 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.843 -0.528 4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.812 -0.419 3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.363 1.207 3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.977 0.463 4.440 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.261 -1.861 6.810 1.00 0.00 N ATOM 1390 CA HIS A 88 -1.866 -3.107 7.406 1.00 0.00 C ATOM 1391 C HIS A 88 -3.084 -3.866 7.876 1.00 0.00 C ATOM 1392 O HIS A 88 -3.001 -5.053 8.065 1.00 0.00 O ATOM 1393 CB HIS A 88 -0.898 -2.817 8.550 1.00 0.00 C ATOM 1394 CG HIS A 88 -1.527 -2.376 9.852 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -2.403 -1.344 10.040 1.00 0.00 N flip ATOM 1396 CD2 HIS A 88 -1.315 -2.980 11.070 1.00 0.00 C flip ATOM 1397 CE1 HIS A 88 -2.708 -1.294 11.393 1.00 0.00 C flip ATOM 1398 NE2 HIS A 88 -2.028 -2.296 11.996 1.00 0.00 N flip ATOM 0 H HIS A 88 -2.470 -1.133 7.494 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.359 -3.736 6.674 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.310 -3.715 8.739 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.203 -2.043 8.224 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.693 -3.843 11.254 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.366 -0.586 11.875 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -2.049 -2.504 12.994 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.206 -3.194 8.113 1.00 0.00 N ATOM 1408 CA ASN A 89 -5.462 -3.811 8.486 1.00 0.00 C ATOM 1409 C ASN A 89 -6.482 -3.728 7.369 1.00 0.00 C ATOM 1410 O ASN A 89 -7.402 -4.518 7.343 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.031 -3.098 9.708 1.00 0.00 C ATOM 1412 CG ASN A 89 -5.505 -3.705 10.985 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -4.222 -3.956 11.026 1.00 0.00 O flip ATOM 1414 ND2 ASN A 89 -6.190 -3.932 11.951 1.00 0.00 N flip ATOM 0 H ASN A 89 -4.262 -2.178 8.048 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.264 -4.861 8.700 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.770 -2.040 9.670 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.119 -3.159 9.694 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.191 -3.738 11.923 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.768 -4.318 12.796 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.299 -2.798 6.435 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.127 -2.686 5.258 1.00 0.00 C ATOM 1423 C LEU A 90 -7.042 -3.949 4.394 1.00 0.00 C ATOM 1424 O LEU A 90 -8.063 -4.509 4.017 1.00 0.00 O ATOM 1425 CB LEU A 90 -6.724 -1.438 4.456 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.438 -0.166 4.920 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -6.782 1.043 4.252 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -8.918 -0.237 4.574 1.00 0.00 C ATOM 0 H LEU A 90 -5.560 -2.097 6.484 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.165 -2.581 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.647 -1.293 4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.943 -1.606 3.401 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.352 -0.069 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.284 1.955 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.730 1.088 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.864 0.949 3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.414 0.674 4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.035 -0.338 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.367 -1.098 5.069 1.00 0.00 H new ATOM 1440 N PRO A 91 -5.826 -4.433 4.084 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.648 -5.636 3.318 1.00 0.00 C ATOM 1442 C PRO A 91 -5.923 -6.875 4.133 1.00 0.00 C ATOM 1443 O PRO A 91 -6.394 -7.871 3.605 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.204 -5.622 2.835 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.485 -4.654 3.744 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.545 -3.893 4.476 1.00 0.00 C ATOM 0 HA PRO A 91 -6.353 -5.663 2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.761 -6.616 2.892 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.141 -5.304 1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.837 -5.185 4.441 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.850 -3.980 3.169 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.406 -3.984 5.553 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.488 -2.831 4.236 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.630 -6.842 5.426 1.00 0.00 N ATOM 1455 CA ILE A 92 -5.920 -7.949 6.312 1.00 0.00 C ATOM 1456 C ILE A 92 -7.411 -8.181 6.422 1.00 0.00 C ATOM 1457 O ILE A 92 -7.818 -9.331 6.331 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.322 -7.671 7.692 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -3.842 -8.057 7.707 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.119 -8.372 8.800 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.353 -8.613 9.035 1.00 0.00 C ATOM 0 H ILE A 92 -5.186 -6.047 5.884 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.471 -8.852 5.899 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.391 -6.603 7.896 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.664 -8.799 6.928 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.247 -7.180 7.453 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.667 -8.153 9.767 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.148 -8.013 8.791 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.109 -9.449 8.630 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.294 -8.861 8.958 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.495 -7.867 9.816 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.919 -9.511 9.284 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.196 -7.120 6.595 1.00 0.00 N ATOM 1474 CA GLU A 93 -9.649 -7.227 6.663 1.00 0.00 C ATOM 1475 C GLU A 93 -10.231 -7.755 5.357 1.00 0.00 C ATOM 1476 O GLU A 93 -11.343 -8.269 5.321 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.269 -5.855 6.970 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.441 -5.660 8.482 1.00 0.00 C ATOM 1479 CD GLU A 93 -11.914 -5.439 8.828 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -12.685 -6.414 8.700 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -12.239 -4.302 9.233 1.00 0.00 O ATOM 0 H GLU A 93 -7.844 -6.168 6.691 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.888 -7.930 7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.634 -5.066 6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.237 -5.769 6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.064 -6.534 9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.851 -4.806 8.814 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.455 -7.680 4.270 1.00 0.00 N ATOM 1489 CA CYS A 94 -9.833 -8.267 3.017 1.00 0.00 C ATOM 1490 C CYS A 94 -9.352 -9.698 2.891 1.00 0.00 C ATOM 1491 O CYS A 94 -9.773 -10.356 1.947 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.288 -7.408 1.881 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.377 -6.048 1.371 1.00 0.00 S ATOM 0 H CYS A 94 -8.551 -7.207 4.253 1.00 0.00 H new ATOM 0 HA CYS A 94 -10.921 -8.299 2.964 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.328 -6.992 2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.099 -8.047 1.019 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.464 -10.162 3.784 1.00 0.00 N ATOM 1499 CA ASN A 95 -7.874 -11.483 3.823 1.00 0.00 C ATOM 1500 C ASN A 95 -6.687 -11.534 2.851 1.00 0.00 C ATOM 1501 O ASN A 95 -6.341 -12.560 2.281 1.00 0.00 O ATOM 1502 CB ASN A 95 -8.941 -12.533 3.483 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.643 -13.868 4.107 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.441 -14.417 4.835 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.452 -14.386 3.895 1.00 0.00 N ATOM 0 H ASN A 95 -8.125 -9.573 4.545 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.500 -11.705 4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.915 -12.183 3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.005 -12.646 2.401 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.189 -15.262 4.346 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.792 -13.911 3.279 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.077 -10.399 2.560 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.014 -10.333 1.600 1.00 0.00 C ATOM 1514 C LEU A 96 -3.754 -10.727 2.324 1.00 0.00 C ATOM 1515 O LEU A 96 -3.175 -11.752 2.014 1.00 0.00 O ATOM 1516 CB LEU A 96 -4.944 -8.961 0.936 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.316 -8.449 0.475 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.268 -6.952 0.331 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -6.758 -9.090 -0.830 1.00 0.00 C ATOM 0 H LEU A 96 -6.312 -9.503 2.988 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.178 -11.020 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.512 -8.246 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.274 -9.012 0.078 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.050 -8.726 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.241 -6.587 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.016 -6.502 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.512 -6.681 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.734 -8.697 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.032 -8.863 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.826 -10.170 -0.700 1.00 0.00 H new ATOM 1531 N MET A 97 -3.426 -9.983 3.381 1.00 0.00 N ATOM 1532 CA MET A 97 -2.252 -10.211 4.186 1.00 0.00 C ATOM 1533 C MET A 97 -2.567 -10.549 5.608 1.00 0.00 C ATOM 1534 O MET A 97 -1.703 -10.330 6.452 1.00 0.00 O ATOM 1535 CB MET A 97 -1.344 -8.995 4.108 1.00 0.00 C ATOM 1536 CG MET A 97 -1.942 -7.789 4.802 1.00 0.00 C ATOM 1537 SD MET A 97 -0.939 -7.180 6.176 1.00 0.00 S ATOM 1538 CE MET A 97 0.599 -6.888 5.293 1.00 0.00 C ATOM 0 H MET A 97 -3.988 -9.193 3.698 1.00 0.00 H new ATOM 0 HA MET A 97 -1.742 -11.084 3.779 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.382 -9.233 4.561 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.153 -8.753 3.063 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.072 -6.988 4.074 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.934 -8.047 5.173 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.123 -6.045 5.744 1.00 0.00 H new ATOM 0 HE2 MET A 97 1.226 -7.778 5.351 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.382 -6.664 4.249 1.00 0.00 H new ATOM 1548 N SER A 98 -3.796 -11.020 5.866 1.00 0.00 N ATOM 1549 CA SER A 98 -4.280 -11.359 7.198 1.00 0.00 C ATOM 1550 C SER A 98 -3.185 -11.945 8.098 1.00 0.00 C ATOM 1551 O SER A 98 -2.632 -11.336 8.998 1.00 0.00 O ATOM 1552 CB SER A 98 -5.465 -12.314 7.135 1.00 0.00 C ATOM 1553 OG SER A 98 -5.134 -13.434 6.326 1.00 0.00 O ATOM 0 H SER A 98 -4.490 -11.176 5.135 1.00 0.00 H new ATOM 0 HA SER A 98 -4.605 -10.419 7.644 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.732 -12.644 8.139 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.336 -11.802 6.726 1.00 0.00 H new ATOM 0 HG SER A 98 -5.897 -14.047 6.288 1.00 0.00 H new ATOM 1559 N GLN A 99 -2.772 -13.157 7.804 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.617 -13.752 8.425 1.00 0.00 C ATOM 1561 C GLN A 99 -1.024 -14.850 7.542 1.00 0.00 C ATOM 1562 O GLN A 99 -0.897 -15.998 7.955 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.098 -14.243 9.794 1.00 0.00 C ATOM 1564 CG GLN A 99 -1.141 -13.752 10.873 1.00 0.00 C ATOM 1565 CD GLN A 99 -1.783 -13.908 12.232 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -2.510 -13.061 12.721 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -1.519 -15.017 12.890 1.00 0.00 N ATOM 0 H GLN A 99 -3.233 -13.759 7.122 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.796 -13.047 8.555 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.105 -13.875 9.991 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.148 -15.332 9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.210 -14.318 10.832 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.886 -12.707 10.698 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.910 -15.723 12.476 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.924 -15.171 13.814 1.00 0.00 H new ATOM 1576 N PRO A 100 -0.708 -14.532 6.277 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.153 -15.510 5.363 1.00 0.00 C ATOM 1578 C PRO A 100 1.296 -15.811 5.715 1.00 0.00 C ATOM 1579 O PRO A 100 1.653 -16.948 6.006 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.300 -14.912 3.965 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.506 -13.420 4.182 1.00 0.00 C ATOM 1582 CD PRO A 100 -0.789 -13.225 5.655 1.00 0.00 C ATOM 0 HA PRO A 100 -0.674 -16.466 5.421 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.587 -15.102 3.361 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.145 -15.352 3.436 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.380 -12.860 3.882 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.335 -13.053 3.578 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.066 -12.541 6.100 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.776 -12.787 5.804 1.00 0.00 H new ATOM 1590 N CYS A 101 2.167 -14.806 5.623 1.00 0.00 N ATOM 1591 CA CYS A 101 3.565 -14.962 5.937 1.00 0.00 C ATOM 1592 C CYS A 101 3.709 -15.079 7.447 1.00 0.00 C ATOM 1593 O CYS A 101 3.388 -14.141 8.177 1.00 0.00 O ATOM 1594 CB CYS A 101 4.367 -13.792 5.367 1.00 0.00 C ATOM 1595 SG CYS A 101 3.732 -13.088 3.804 1.00 0.00 S ATOM 0 H CYS A 101 1.911 -13.864 5.327 1.00 0.00 H new ATOM 0 HA CYS A 101 3.964 -15.868 5.480 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.401 -12.999 6.115 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.393 -14.122 5.206 1.00 0.00 H new