USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 618 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 43 THR OG1 : rot 33:sc= 0.817 USER MOD Set 1.2: A 63 THR OG1 : rot 176:sc= 0.67 USER MOD Single : A 11 THR OG1 : rot -58:sc= 0.26 USER MOD Single : A 13 GLN : amide:sc= -5.57! C(o=-5.6!,f=-6.1!) USER MOD Single : A 14 THR OG1 : rot 95:sc= 1.28 USER MOD Single : A 18 GLN : amide:sc= 1.23 K(o=1.2,f=-0.012) USER MOD Single : A 20 ASN : amide:sc= 0.655 K(o=0.66,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 140:sc= 0.472 (180deg=0.292) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 152:sc= 2.33 (180deg=0.732) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= 2.36 (180deg=2.11) USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= 1.33 (180deg=1.32) USER MOD Single : A 62 ASN : amide:sc= -0.212 K(o=-0.21,f=-2.4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 67 ASN : amide:sc= -0.523 K(o=-0.52,f=-9!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 73 THR OG1 : rot -38:sc= 0.488 USER MOD Single : A 75 ASN : amide:sc= 0.0207 X(o=0.021,f=-0.016) USER MOD Single : A 80 MET CE :methyl 143:sc= -1.03 (180deg=-2.01) USER MOD Single : A 81 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.1) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 86 CYS SG : rot 85:sc= 0.0399 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 165:sc= -0.0597 (180deg=-0.364) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -152:sc= -0.128 (180deg=-0.838) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 6.010 1.937 -7.393 1.00 0.00 N ATOM 94 CA GLU A 9 4.667 1.428 -7.445 1.00 0.00 C ATOM 95 C GLU A 9 4.686 -0.077 -7.703 1.00 0.00 C ATOM 96 O GLU A 9 3.839 -0.788 -7.194 1.00 0.00 O ATOM 97 CB GLU A 9 3.834 2.149 -8.487 1.00 0.00 C ATOM 98 CG GLU A 9 2.349 1.781 -8.422 1.00 0.00 C ATOM 99 CD GLU A 9 1.580 2.154 -9.659 1.00 0.00 C ATOM 100 OE1 GLU A 9 1.543 3.336 -10.027 1.00 0.00 O ATOM 101 OE2 GLU A 9 0.986 1.248 -10.294 1.00 0.00 O ATOM 0 HA GLU A 9 4.198 1.612 -6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.943 3.225 -8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.219 1.913 -9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.257 0.708 -8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.898 2.276 -7.562 1.00 0.00 H new ATOM 108 N TRP A 10 5.681 -0.554 -8.471 1.00 0.00 N ATOM 109 CA TRP A 10 5.869 -1.989 -8.704 1.00 0.00 C ATOM 110 C TRP A 10 5.980 -2.725 -7.389 1.00 0.00 C ATOM 111 O TRP A 10 5.326 -3.741 -7.182 1.00 0.00 O ATOM 112 CB TRP A 10 7.127 -2.295 -9.570 1.00 0.00 C ATOM 113 CG TRP A 10 7.472 -3.776 -9.634 1.00 0.00 C ATOM 114 CD1 TRP A 10 6.978 -4.694 -10.498 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.378 -4.498 -8.768 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.494 -5.933 -10.221 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.358 -5.838 -9.167 1.00 0.00 C ATOM 118 CE3 TRP A 10 9.190 -4.134 -7.696 1.00 0.00 C ATOM 119 CZ2 TRP A 10 9.120 -6.820 -8.528 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.938 -5.100 -7.065 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.902 -6.426 -7.477 1.00 0.00 C ATOM 0 H TRP A 10 6.367 0.038 -8.940 1.00 0.00 H new ATOM 0 HA TRP A 10 4.993 -2.333 -9.254 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.961 -1.924 -10.582 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.979 -1.748 -9.166 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.278 -4.480 -11.292 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.268 -6.792 -10.723 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.231 -3.107 -7.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.093 -7.850 -8.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.566 -4.822 -6.232 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.502 -7.159 -6.958 1.00 0.00 H new ATOM 132 N THR A 11 6.775 -2.212 -6.500 1.00 0.00 N ATOM 133 CA THR A 11 6.997 -2.885 -5.257 1.00 0.00 C ATOM 134 C THR A 11 5.715 -2.910 -4.419 1.00 0.00 C ATOM 135 O THR A 11 5.407 -3.906 -3.761 1.00 0.00 O ATOM 136 CB THR A 11 8.160 -2.263 -4.483 1.00 0.00 C ATOM 137 OG1 THR A 11 9.295 -2.084 -5.368 1.00 0.00 O ATOM 138 CG2 THR A 11 8.571 -3.200 -3.387 1.00 0.00 C ATOM 0 H THR A 11 7.279 -1.332 -6.611 1.00 0.00 H new ATOM 0 HA THR A 11 7.274 -3.916 -5.478 1.00 0.00 H new ATOM 0 HB THR A 11 7.847 -1.302 -4.075 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.547 -2.948 -5.756 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.400 -2.765 -2.829 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.729 -3.366 -2.715 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.883 -4.151 -3.819 1.00 0.00 H new ATOM 146 N LEU A 12 4.958 -1.844 -4.503 1.00 0.00 N ATOM 147 CA LEU A 12 3.693 -1.761 -3.817 1.00 0.00 C ATOM 148 C LEU A 12 2.697 -2.765 -4.441 1.00 0.00 C ATOM 149 O LEU A 12 2.105 -3.597 -3.744 1.00 0.00 O ATOM 150 CB LEU A 12 3.101 -0.376 -3.990 1.00 0.00 C ATOM 151 CG LEU A 12 3.870 0.815 -3.446 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.076 2.084 -3.697 1.00 0.00 C ATOM 153 CD2 LEU A 12 4.154 0.650 -1.970 1.00 0.00 C ATOM 0 H LEU A 12 5.199 -1.014 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 12 3.860 -1.980 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.948 -0.212 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.116 -0.376 -3.523 1.00 0.00 H new ATOM 0 HG LEU A 12 4.828 0.880 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.626 2.940 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.920 2.210 -4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.111 2.014 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.706 1.517 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.213 0.564 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.748 -0.250 -1.812 1.00 0.00 H new ATOM 165 N GLN A 13 2.541 -2.680 -5.779 1.00 0.00 N ATOM 166 CA GLN A 13 1.590 -3.510 -6.517 1.00 0.00 C ATOM 167 C GLN A 13 1.869 -4.968 -6.343 1.00 0.00 C ATOM 168 O GLN A 13 0.973 -5.710 -6.130 1.00 0.00 O ATOM 169 CB GLN A 13 1.493 -3.165 -8.025 1.00 0.00 C ATOM 170 CG GLN A 13 2.785 -3.232 -8.777 1.00 0.00 C ATOM 171 CD GLN A 13 2.638 -3.173 -10.289 1.00 0.00 C ATOM 172 OE1 GLN A 13 3.480 -2.604 -10.979 1.00 0.00 O ATOM 173 NE2 GLN A 13 1.670 -3.864 -10.830 1.00 0.00 N ATOM 0 H GLN A 13 3.071 -2.036 -6.367 1.00 0.00 H new ATOM 0 HA GLN A 13 0.620 -3.278 -6.077 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.783 -3.847 -8.493 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.084 -2.160 -8.126 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.422 -2.408 -8.454 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.299 -4.156 -8.510 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.982 -4.328 -10.237 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.603 -3.939 -11.845 1.00 0.00 H new ATOM 182 N THR A 14 3.121 -5.350 -6.375 1.00 0.00 N ATOM 183 CA THR A 14 3.511 -6.739 -6.252 1.00 0.00 C ATOM 184 C THR A 14 2.990 -7.362 -4.937 1.00 0.00 C ATOM 185 O THR A 14 2.599 -8.537 -4.903 1.00 0.00 O ATOM 186 CB THR A 14 5.035 -6.852 -6.389 1.00 0.00 C ATOM 187 OG1 THR A 14 5.392 -6.305 -7.662 1.00 0.00 O ATOM 188 CG2 THR A 14 5.505 -8.281 -6.340 1.00 0.00 C ATOM 0 H THR A 14 3.904 -4.706 -6.487 1.00 0.00 H new ATOM 0 HA THR A 14 3.051 -7.313 -7.057 1.00 0.00 H new ATOM 0 HB THR A 14 5.501 -6.319 -5.560 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.648 -5.365 -7.554 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.590 -8.311 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.217 -8.726 -5.388 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.049 -8.842 -7.156 1.00 0.00 H new ATOM 196 N LEU A 15 2.916 -6.558 -3.901 1.00 0.00 N ATOM 197 CA LEU A 15 2.375 -6.992 -2.633 1.00 0.00 C ATOM 198 C LEU A 15 0.852 -7.040 -2.725 1.00 0.00 C ATOM 199 O LEU A 15 0.237 -8.060 -2.447 1.00 0.00 O ATOM 200 CB LEU A 15 2.794 -6.023 -1.540 1.00 0.00 C ATOM 201 CG LEU A 15 4.299 -5.857 -1.335 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.580 -4.668 -0.441 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.890 -7.116 -0.723 1.00 0.00 C ATOM 0 H LEU A 15 3.228 -5.587 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 15 2.756 -7.985 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.368 -5.045 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.353 -6.354 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 15 4.763 -5.685 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.656 -4.562 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.182 -3.764 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.104 -4.821 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.963 -6.983 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.419 -7.308 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.713 -7.961 -1.388 1.00 0.00 H new ATOM 215 N LEU A 16 0.262 -5.951 -3.188 1.00 0.00 N ATOM 216 CA LEU A 16 -1.197 -5.832 -3.286 1.00 0.00 C ATOM 217 C LEU A 16 -1.805 -6.776 -4.329 1.00 0.00 C ATOM 218 O LEU A 16 -2.951 -7.154 -4.233 1.00 0.00 O ATOM 219 CB LEU A 16 -1.660 -4.377 -3.502 1.00 0.00 C ATOM 220 CG LEU A 16 -1.689 -3.447 -2.263 1.00 0.00 C ATOM 221 CD1 LEU A 16 -0.357 -3.382 -1.549 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.137 -2.061 -2.660 1.00 0.00 C ATOM 0 H LEU A 16 0.770 -5.126 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.580 -6.149 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.008 -3.923 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.663 -4.402 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.405 -3.876 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.437 -2.716 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.077 -4.379 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.404 -3.004 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.153 -1.418 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.445 -1.652 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.137 -2.111 -3.091 1.00 0.00 H new ATOM 234 N GLU A 17 -1.028 -7.170 -5.313 1.00 0.00 N ATOM 235 CA GLU A 17 -1.470 -8.150 -6.298 1.00 0.00 C ATOM 236 C GLU A 17 -1.570 -9.532 -5.655 1.00 0.00 C ATOM 237 O GLU A 17 -2.224 -10.426 -6.175 1.00 0.00 O ATOM 238 CB GLU A 17 -0.547 -8.184 -7.529 1.00 0.00 C ATOM 239 CG GLU A 17 -0.594 -6.923 -8.402 1.00 0.00 C ATOM 240 CD GLU A 17 0.324 -7.029 -9.591 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.101 -7.555 -10.641 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.494 -6.616 -9.499 1.00 0.00 O ATOM 0 H GLU A 17 -0.078 -6.828 -5.459 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.458 -7.850 -6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.478 -8.338 -7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.814 -9.044 -8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.615 -6.757 -8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.314 -6.056 -7.803 1.00 0.00 H new ATOM 249 N GLN A 18 -0.946 -9.677 -4.506 1.00 0.00 N ATOM 250 CA GLN A 18 -0.999 -10.903 -3.743 1.00 0.00 C ATOM 251 C GLN A 18 -2.074 -10.814 -2.664 1.00 0.00 C ATOM 252 O GLN A 18 -2.356 -11.791 -1.976 1.00 0.00 O ATOM 253 CB GLN A 18 0.359 -11.201 -3.115 1.00 0.00 C ATOM 254 CG GLN A 18 1.417 -11.622 -4.112 1.00 0.00 C ATOM 255 CD GLN A 18 2.780 -11.777 -3.480 1.00 0.00 C ATOM 256 OE1 GLN A 18 3.142 -12.846 -2.986 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.551 -10.721 -3.494 1.00 0.00 N ATOM 0 H GLN A 18 -0.385 -8.943 -4.073 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.254 -11.718 -4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.706 -10.314 -2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.240 -11.990 -2.372 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.124 -12.566 -4.571 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.473 -10.883 -4.911 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.218 -9.852 -3.912 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.485 -10.766 -3.087 1.00 0.00 H new ATOM 266 N LEU A 19 -2.669 -9.645 -2.507 1.00 0.00 N ATOM 267 CA LEU A 19 -3.713 -9.477 -1.531 1.00 0.00 C ATOM 268 C LEU A 19 -4.829 -8.608 -2.122 1.00 0.00 C ATOM 269 O LEU A 19 -4.725 -7.399 -2.215 1.00 0.00 O ATOM 270 CB LEU A 19 -3.154 -8.890 -0.210 1.00 0.00 C ATOM 271 CG LEU A 19 -2.823 -7.394 -0.172 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.932 -6.613 0.511 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.481 -7.108 0.433 1.00 0.00 C ATOM 0 H LEU A 19 -2.444 -8.807 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.134 -10.451 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.879 -9.092 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.247 -9.439 0.042 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.759 -7.056 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.675 -5.554 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.865 -6.752 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.053 -6.972 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.303 -6.033 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.457 -7.479 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.706 -7.604 -0.151 1.00 0.00 H new ATOM 285 N ASN A 20 -5.863 -9.217 -2.595 1.00 0.00 N ATOM 286 CA ASN A 20 -6.928 -8.419 -3.215 1.00 0.00 C ATOM 287 C ASN A 20 -8.235 -9.135 -3.387 1.00 0.00 C ATOM 288 O ASN A 20 -9.146 -8.596 -4.011 1.00 0.00 O ATOM 289 CB ASN A 20 -6.483 -7.782 -4.534 1.00 0.00 C ATOM 290 CG ASN A 20 -5.983 -8.780 -5.529 1.00 0.00 C ATOM 291 OD1 ASN A 20 -6.721 -9.276 -6.378 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.732 -9.096 -5.400 1.00 0.00 N ATOM 0 H ASN A 20 -6.015 -10.225 -2.579 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.118 -7.628 -2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.320 -7.235 -4.967 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.697 -7.054 -4.332 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.314 -9.788 -6.022 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.166 -8.652 -4.677 1.00 0.00 H new ATOM 299 N GLU A 21 -8.347 -10.323 -2.853 1.00 0.00 N ATOM 300 CA GLU A 21 -9.612 -11.009 -2.880 1.00 0.00 C ATOM 301 C GLU A 21 -10.515 -10.456 -1.753 1.00 0.00 C ATOM 302 O GLU A 21 -11.295 -9.523 -1.960 1.00 0.00 O ATOM 303 CB GLU A 21 -9.399 -12.522 -2.771 1.00 0.00 C ATOM 304 CG GLU A 21 -10.666 -13.345 -2.782 1.00 0.00 C ATOM 305 CD GLU A 21 -10.384 -14.810 -2.685 1.00 0.00 C ATOM 306 OE1 GLU A 21 -10.079 -15.289 -1.566 1.00 0.00 O ATOM 307 OE2 GLU A 21 -10.457 -15.512 -3.714 1.00 0.00 O ATOM 0 H GLU A 21 -7.588 -10.831 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.116 -10.831 -3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.766 -12.846 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.854 -12.732 -1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.302 -13.042 -1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.222 -13.143 -3.698 1.00 0.00 H new ATOM 314 N ASP A 22 -10.361 -10.973 -0.556 1.00 0.00 N ATOM 315 CA ASP A 22 -11.116 -10.461 0.590 1.00 0.00 C ATOM 316 C ASP A 22 -10.199 -9.559 1.382 1.00 0.00 C ATOM 317 O ASP A 22 -10.601 -8.634 2.055 1.00 0.00 O ATOM 318 CB ASP A 22 -11.615 -11.607 1.455 1.00 0.00 C ATOM 319 CG ASP A 22 -12.398 -11.160 2.662 1.00 0.00 C ATOM 320 OD1 ASP A 22 -13.606 -10.933 2.553 1.00 0.00 O ATOM 321 OD2 ASP A 22 -11.819 -11.093 3.760 1.00 0.00 O ATOM 0 H ASP A 22 -9.727 -11.742 -0.340 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.989 -9.905 0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.241 -12.262 0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.762 -12.199 1.786 1.00 0.00 H new ATOM 326 N GLU A 23 -8.952 -9.850 1.208 1.00 0.00 N ATOM 327 CA GLU A 23 -7.795 -9.182 1.768 1.00 0.00 C ATOM 328 C GLU A 23 -7.889 -7.674 1.557 1.00 0.00 C ATOM 329 O GLU A 23 -7.568 -6.888 2.426 1.00 0.00 O ATOM 330 CB GLU A 23 -6.567 -9.645 0.988 1.00 0.00 C ATOM 331 CG GLU A 23 -6.742 -10.883 0.117 1.00 0.00 C ATOM 332 CD GLU A 23 -7.089 -12.157 0.845 1.00 0.00 C ATOM 333 OE1 GLU A 23 -6.192 -12.790 1.424 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.270 -12.574 0.772 1.00 0.00 O ATOM 0 H GLU A 23 -8.678 -10.634 0.616 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.738 -9.412 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.238 -8.824 0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.764 -9.839 1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.524 -10.681 -0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.819 -11.045 -0.440 1.00 0.00 H new ATOM 341 N LEU A 24 -8.326 -7.306 0.368 1.00 0.00 N ATOM 342 CA LEU A 24 -8.440 -5.921 -0.054 1.00 0.00 C ATOM 343 C LEU A 24 -9.422 -5.173 0.833 1.00 0.00 C ATOM 344 O LEU A 24 -9.201 -4.025 1.182 1.00 0.00 O ATOM 345 CB LEU A 24 -8.948 -5.870 -1.481 1.00 0.00 C ATOM 346 CG LEU A 24 -8.610 -4.625 -2.274 1.00 0.00 C ATOM 347 CD1 LEU A 24 -7.119 -4.577 -2.576 1.00 0.00 C ATOM 348 CD2 LEU A 24 -9.421 -4.586 -3.547 1.00 0.00 C ATOM 0 H LEU A 24 -8.618 -7.973 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.457 -5.455 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.551 -6.733 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.032 -5.978 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.862 -3.747 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.892 -3.676 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.559 -4.565 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.837 -5.455 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.171 -3.687 -4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.195 -5.466 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.483 -4.577 -3.302 1.00 0.00 H new ATOM 360 N LYS A 25 -10.483 -5.859 1.207 1.00 0.00 N ATOM 361 CA LYS A 25 -11.543 -5.309 2.042 1.00 0.00 C ATOM 362 C LYS A 25 -10.957 -4.930 3.379 1.00 0.00 C ATOM 363 O LYS A 25 -11.252 -3.862 3.933 1.00 0.00 O ATOM 364 CB LYS A 25 -12.612 -6.375 2.221 1.00 0.00 C ATOM 365 CG LYS A 25 -13.272 -6.793 0.921 1.00 0.00 C ATOM 366 CD LYS A 25 -13.931 -8.139 1.057 1.00 0.00 C ATOM 367 CE LYS A 25 -14.769 -8.495 -0.165 1.00 0.00 C ATOM 368 NZ LYS A 25 -13.970 -8.609 -1.419 1.00 0.00 N ATOM 0 H LYS A 25 -10.640 -6.830 0.937 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.984 -4.425 1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.165 -7.251 2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.376 -6.002 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.014 -6.049 0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.527 -6.828 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.167 -8.902 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.565 -8.144 1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.281 -9.440 0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.539 -7.736 -0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.316 -9.414 -1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.068 -7.735 -1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.969 -8.758 -1.180 1.00 0.00 H new ATOM 382 N SER A 26 -10.115 -5.803 3.873 1.00 0.00 N ATOM 383 CA SER A 26 -9.395 -5.608 5.053 1.00 0.00 C ATOM 384 C SER A 26 -8.434 -4.439 4.907 1.00 0.00 C ATOM 385 O SER A 26 -8.515 -3.480 5.660 1.00 0.00 O ATOM 386 CB SER A 26 -8.634 -6.873 5.307 1.00 0.00 C ATOM 387 OG SER A 26 -9.515 -7.960 5.499 1.00 0.00 O ATOM 0 H SER A 26 -9.922 -6.699 3.426 1.00 0.00 H new ATOM 0 HA SER A 26 -10.065 -5.377 5.881 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.973 -7.080 4.466 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.002 -6.752 6.187 1.00 0.00 H new ATOM 0 HG SER A 26 -8.997 -8.776 5.662 1.00 0.00 H new ATOM 393 N PHE A 27 -7.583 -4.514 3.889 1.00 0.00 N ATOM 394 CA PHE A 27 -6.543 -3.528 3.622 1.00 0.00 C ATOM 395 C PHE A 27 -7.123 -2.101 3.577 1.00 0.00 C ATOM 396 O PHE A 27 -6.585 -1.194 4.212 1.00 0.00 O ATOM 397 CB PHE A 27 -5.845 -3.902 2.306 1.00 0.00 C ATOM 398 CG PHE A 27 -4.651 -3.051 1.914 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.814 -1.829 1.289 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.362 -3.495 2.165 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.720 -1.067 0.924 1.00 0.00 C ATOM 402 CE2 PHE A 27 -2.266 -2.736 1.803 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.446 -1.519 1.185 1.00 0.00 C ATOM 0 H PHE A 27 -7.598 -5.278 3.213 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.812 -3.535 4.431 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.518 -4.940 2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.580 -3.852 1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.810 -1.465 1.083 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.212 -4.448 2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.865 -0.116 0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.268 -3.097 2.005 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.591 -0.921 0.906 1.00 0.00 H new ATOM 413 N LYS A 28 -8.243 -1.933 2.864 1.00 0.00 N ATOM 414 CA LYS A 28 -8.937 -0.638 2.765 1.00 0.00 C ATOM 415 C LYS A 28 -9.297 -0.104 4.153 1.00 0.00 C ATOM 416 O LYS A 28 -9.010 1.043 4.491 1.00 0.00 O ATOM 417 CB LYS A 28 -10.233 -0.781 1.948 1.00 0.00 C ATOM 418 CG LYS A 28 -10.045 -1.144 0.487 1.00 0.00 C ATOM 419 CD LYS A 28 -11.382 -1.489 -0.159 1.00 0.00 C ATOM 420 CE LYS A 28 -11.208 -1.913 -1.606 1.00 0.00 C ATOM 421 NZ LYS A 28 -12.460 -2.424 -2.200 1.00 0.00 N ATOM 0 H LYS A 28 -8.694 -2.684 2.341 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.260 0.058 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.856 -1.543 2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.783 0.159 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.583 -0.311 -0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.365 -1.992 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.862 -2.292 0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.045 -0.625 -0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.853 -1.064 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.440 -2.684 -1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.451 -2.256 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.540 -3.445 -2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.272 -1.932 -1.776 1.00 0.00 H new ATOM 435 N SER A 29 -9.874 -0.963 4.962 1.00 0.00 N ATOM 436 CA SER A 29 -10.370 -0.574 6.263 1.00 0.00 C ATOM 437 C SER A 29 -9.207 -0.351 7.228 1.00 0.00 C ATOM 438 O SER A 29 -9.220 0.575 8.030 1.00 0.00 O ATOM 439 CB SER A 29 -11.285 -1.671 6.808 1.00 0.00 C ATOM 440 OG SER A 29 -12.100 -1.203 7.875 1.00 0.00 O ATOM 0 H SER A 29 -10.013 -1.948 4.738 1.00 0.00 H new ATOM 0 HA SER A 29 -10.930 0.356 6.165 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.919 -2.046 6.005 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.680 -2.509 7.154 1.00 0.00 H new ATOM 0 HG SER A 29 -12.671 -1.932 8.195 1.00 0.00 H new ATOM 446 N LEU A 30 -8.212 -1.196 7.126 1.00 0.00 N ATOM 447 CA LEU A 30 -7.055 -1.153 7.989 1.00 0.00 C ATOM 448 C LEU A 30 -6.234 0.076 7.760 1.00 0.00 C ATOM 449 O LEU A 30 -5.730 0.668 8.717 1.00 0.00 O ATOM 450 CB LEU A 30 -6.227 -2.399 7.801 1.00 0.00 C ATOM 451 CG LEU A 30 -6.876 -3.673 8.329 1.00 0.00 C ATOM 452 CD1 LEU A 30 -6.160 -4.872 7.801 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.884 -3.685 9.851 1.00 0.00 C ATOM 0 H LEU A 30 -8.181 -1.943 6.433 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.405 -1.112 9.021 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.019 -2.525 6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.267 -2.261 8.299 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.910 -3.702 7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.632 -5.776 8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.206 -4.873 6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.118 -4.843 8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.352 -4.604 10.205 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.860 -3.634 10.221 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.446 -2.826 10.219 1.00 0.00 H new ATOM 465 N LEU A 31 -6.127 0.492 6.517 1.00 0.00 N ATOM 466 CA LEU A 31 -5.371 1.673 6.220 1.00 0.00 C ATOM 467 C LEU A 31 -6.167 2.895 6.652 1.00 0.00 C ATOM 468 O LEU A 31 -5.613 3.894 6.997 1.00 0.00 O ATOM 469 CB LEU A 31 -4.939 1.709 4.719 1.00 0.00 C ATOM 470 CG LEU A 31 -5.923 2.258 3.666 1.00 0.00 C ATOM 471 CD1 LEU A 31 -5.786 3.769 3.532 1.00 0.00 C ATOM 472 CD2 LEU A 31 -5.704 1.590 2.323 1.00 0.00 C ATOM 0 H LEU A 31 -6.550 0.033 5.711 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.439 1.670 6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.026 2.301 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.681 0.691 4.427 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.934 2.031 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.490 4.133 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.000 4.240 4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.770 4.016 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.409 1.993 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.686 1.780 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.859 0.516 2.421 1.00 0.00 H new ATOM 484 N TRP A 32 -7.480 2.763 6.692 1.00 0.00 N ATOM 485 CA TRP A 32 -8.321 3.861 7.105 1.00 0.00 C ATOM 486 C TRP A 32 -8.388 3.929 8.631 1.00 0.00 C ATOM 487 O TRP A 32 -8.828 4.929 9.205 1.00 0.00 O ATOM 488 CB TRP A 32 -9.734 3.692 6.543 1.00 0.00 C ATOM 489 CG TRP A 32 -10.269 4.960 5.966 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.250 5.770 6.458 1.00 0.00 C ATOM 491 CD2 TRP A 32 -9.805 5.565 4.778 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.422 6.848 5.616 1.00 0.00 N ATOM 493 CE2 TRP A 32 -10.540 6.739 4.573 1.00 0.00 C ATOM 494 CE3 TRP A 32 -8.836 5.206 3.869 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.323 7.570 3.473 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -8.608 6.022 2.773 1.00 0.00 C ATOM 497 CH2 TRP A 32 -9.349 7.195 2.584 1.00 0.00 C ATOM 0 H TRP A 32 -7.981 1.910 6.444 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.891 4.785 6.720 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.727 2.920 5.774 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.399 3.347 7.335 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -11.806 5.594 7.367 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.095 7.603 5.748 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.262 4.302 4.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -10.899 8.472 3.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.849 5.750 2.055 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.150 7.815 1.723 1.00 0.00 H new ATOM 508 N ALA A 33 -7.959 2.856 9.272 1.00 0.00 N ATOM 509 CA ALA A 33 -8.025 2.722 10.714 1.00 0.00 C ATOM 510 C ALA A 33 -6.866 3.406 11.397 1.00 0.00 C ATOM 511 O ALA A 33 -7.032 3.997 12.464 1.00 0.00 O ATOM 512 CB ALA A 33 -8.063 1.261 11.106 1.00 0.00 C ATOM 0 H ALA A 33 -7.552 2.048 8.801 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.942 3.210 11.043 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.112 1.177 12.192 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.941 0.789 10.665 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.163 0.764 10.744 1.00 0.00 H new ATOM 518 N PHE A 34 -5.693 3.336 10.805 1.00 0.00 N ATOM 519 CA PHE A 34 -4.556 3.955 11.419 1.00 0.00 C ATOM 520 C PHE A 34 -4.640 5.461 11.150 1.00 0.00 C ATOM 521 O PHE A 34 -5.195 5.862 10.122 1.00 0.00 O ATOM 522 CB PHE A 34 -3.214 3.332 10.913 1.00 0.00 C ATOM 523 CG PHE A 34 -2.704 3.817 9.579 1.00 0.00 C ATOM 524 CD1 PHE A 34 -1.977 4.994 9.493 1.00 0.00 C ATOM 525 CD2 PHE A 34 -2.934 3.100 8.433 1.00 0.00 C ATOM 526 CE1 PHE A 34 -1.508 5.448 8.291 1.00 0.00 C ATOM 527 CE2 PHE A 34 -2.460 3.549 7.214 1.00 0.00 C ATOM 528 CZ PHE A 34 -1.750 4.725 7.145 1.00 0.00 C ATOM 0 H PHE A 34 -5.511 2.866 9.918 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.567 3.778 12.495 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.446 3.524 11.662 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.340 2.251 10.857 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.778 5.562 10.390 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.491 2.176 8.483 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.949 6.371 8.241 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.647 2.977 6.317 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.383 5.080 6.193 1.00 0.00 H new ATOM 672 N THR A 43 -7.178 10.955 0.403 1.00 0.00 N ATOM 673 CA THR A 43 -7.218 9.802 -0.471 1.00 0.00 C ATOM 674 C THR A 43 -8.661 9.417 -0.822 1.00 0.00 C ATOM 675 O THR A 43 -9.482 9.150 0.063 1.00 0.00 O ATOM 676 CB THR A 43 -6.458 8.635 0.177 1.00 0.00 C ATOM 677 OG1 THR A 43 -5.155 9.115 0.532 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.306 7.470 -0.790 1.00 0.00 C ATOM 0 HA THR A 43 -6.725 10.054 -1.410 1.00 0.00 H new ATOM 0 HB THR A 43 -7.011 8.281 1.047 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.210 10.063 0.774 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.764 6.660 -0.302 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.292 7.117 -1.092 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.753 7.798 -1.670 1.00 0.00 H new ATOM 686 N PRO A 44 -8.992 9.455 -2.126 1.00 0.00 N ATOM 687 CA PRO A 44 -10.338 9.183 -2.605 1.00 0.00 C ATOM 688 C PRO A 44 -10.767 7.725 -2.400 1.00 0.00 C ATOM 689 O PRO A 44 -10.395 6.836 -3.180 1.00 0.00 O ATOM 690 CB PRO A 44 -10.285 9.546 -4.101 1.00 0.00 C ATOM 691 CG PRO A 44 -8.839 9.449 -4.470 1.00 0.00 C ATOM 692 CD PRO A 44 -8.064 9.799 -3.232 1.00 0.00 C ATOM 0 HA PRO A 44 -11.079 9.759 -2.051 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.891 8.862 -4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.671 10.550 -4.278 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.592 8.444 -4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.599 10.132 -5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.136 9.231 -3.167 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.794 10.855 -3.214 1.00 0.00 H new ATOM 700 N TRP A 45 -11.541 7.490 -1.341 1.00 0.00 N ATOM 701 CA TRP A 45 -12.031 6.157 -0.990 1.00 0.00 C ATOM 702 C TRP A 45 -12.846 5.562 -2.130 1.00 0.00 C ATOM 703 O TRP A 45 -12.763 4.372 -2.384 1.00 0.00 O ATOM 704 CB TRP A 45 -12.863 6.200 0.317 1.00 0.00 C ATOM 705 CG TRP A 45 -13.503 4.878 0.713 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.672 4.366 0.232 1.00 0.00 C ATOM 707 CD2 TRP A 45 -13.020 3.918 1.665 1.00 0.00 C ATOM 708 NE1 TRP A 45 -14.946 3.161 0.816 1.00 0.00 N ATOM 709 CE2 TRP A 45 -13.954 2.860 1.701 1.00 0.00 C ATOM 710 CE3 TRP A 45 -11.902 3.845 2.487 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.796 1.749 2.522 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.746 2.741 3.302 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.688 1.709 3.315 1.00 0.00 C ATOM 0 H TRP A 45 -11.847 8.222 -0.700 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.167 5.515 -0.820 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.218 6.533 1.130 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.648 6.948 0.206 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.295 4.846 -0.508 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.762 2.580 0.621 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.168 4.637 2.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.522 0.950 2.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.879 2.674 3.942 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.535 0.862 3.967 1.00 0.00 H new ATOM 724 N SER A 46 -13.589 6.397 -2.838 1.00 0.00 N ATOM 725 CA SER A 46 -14.406 5.937 -3.949 1.00 0.00 C ATOM 726 C SER A 46 -13.546 5.236 -5.016 1.00 0.00 C ATOM 727 O SER A 46 -13.986 4.269 -5.653 1.00 0.00 O ATOM 728 CB SER A 46 -15.168 7.115 -4.536 1.00 0.00 C ATOM 729 OG SER A 46 -15.933 7.749 -3.519 1.00 0.00 O ATOM 0 H SER A 46 -13.643 7.400 -2.662 1.00 0.00 H new ATOM 0 HA SER A 46 -15.123 5.201 -3.585 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.471 7.828 -4.977 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.823 6.773 -5.337 1.00 0.00 H new ATOM 0 HG SER A 46 -16.421 8.508 -3.902 1.00 0.00 H new ATOM 735 N GLU A 47 -12.309 5.688 -5.153 1.00 0.00 N ATOM 736 CA GLU A 47 -11.378 5.087 -6.074 1.00 0.00 C ATOM 737 C GLU A 47 -10.727 3.869 -5.454 1.00 0.00 C ATOM 738 O GLU A 47 -10.610 2.837 -6.101 1.00 0.00 O ATOM 739 CB GLU A 47 -10.319 6.091 -6.513 1.00 0.00 C ATOM 740 CG GLU A 47 -10.867 7.217 -7.359 1.00 0.00 C ATOM 741 CD GLU A 47 -11.468 6.717 -8.653 1.00 0.00 C ATOM 742 OE1 GLU A 47 -10.726 6.574 -9.649 1.00 0.00 O ATOM 743 OE2 GLU A 47 -12.693 6.473 -8.715 1.00 0.00 O ATOM 0 H GLU A 47 -11.931 6.477 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.934 4.772 -6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.840 6.512 -5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.546 5.568 -7.076 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.625 7.759 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.068 7.925 -7.581 1.00 0.00 H new ATOM 750 N VAL A 48 -10.356 3.973 -4.162 1.00 0.00 N ATOM 751 CA VAL A 48 -9.673 2.864 -3.449 1.00 0.00 C ATOM 752 C VAL A 48 -10.592 1.642 -3.389 1.00 0.00 C ATOM 753 O VAL A 48 -10.147 0.508 -3.293 1.00 0.00 O ATOM 754 CB VAL A 48 -9.233 3.244 -1.970 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.656 4.626 -1.876 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.319 3.010 -0.911 1.00 0.00 C ATOM 0 H VAL A 48 -10.514 4.804 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.767 2.647 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.435 2.540 -1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.373 4.833 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.776 4.697 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.400 5.354 -2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.938 3.294 0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.195 3.613 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.596 1.956 -0.901 1.00 0.00 H new ATOM 766 N GLU A 49 -11.869 1.923 -3.447 1.00 0.00 N ATOM 767 CA GLU A 49 -12.900 0.958 -3.364 1.00 0.00 C ATOM 768 C GLU A 49 -12.974 0.096 -4.584 1.00 0.00 C ATOM 769 O GLU A 49 -13.003 -1.124 -4.492 1.00 0.00 O ATOM 770 CB GLU A 49 -14.201 1.665 -3.176 1.00 0.00 C ATOM 771 CG GLU A 49 -14.930 1.146 -2.002 1.00 0.00 C ATOM 772 CD GLU A 49 -15.491 -0.222 -2.195 1.00 0.00 C ATOM 773 OE1 GLU A 49 -14.794 -1.210 -1.891 1.00 0.00 O ATOM 774 OE2 GLU A 49 -16.653 -0.341 -2.629 1.00 0.00 O ATOM 0 H GLU A 49 -12.218 2.875 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.683 0.304 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.022 2.733 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.814 1.546 -4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.257 1.134 -1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.743 1.831 -1.760 1.00 0.00 H new ATOM 781 N GLU A 50 -12.974 0.709 -5.722 1.00 0.00 N ATOM 782 CA GLU A 50 -13.168 -0.041 -6.922 1.00 0.00 C ATOM 783 C GLU A 50 -11.837 -0.601 -7.454 1.00 0.00 C ATOM 784 O GLU A 50 -11.798 -1.494 -8.321 1.00 0.00 O ATOM 785 CB GLU A 50 -13.897 0.797 -7.964 1.00 0.00 C ATOM 786 CG GLU A 50 -15.269 1.265 -7.498 1.00 0.00 C ATOM 787 CD GLU A 50 -16.003 2.078 -8.528 1.00 0.00 C ATOM 788 OE1 GLU A 50 -16.558 1.490 -9.486 1.00 0.00 O ATOM 789 OE2 GLU A 50 -16.057 3.314 -8.413 1.00 0.00 O ATOM 0 H GLU A 50 -12.844 1.713 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.798 -0.900 -6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.288 1.666 -8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.009 0.213 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.872 0.396 -7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.154 1.859 -6.591 1.00 0.00 H new ATOM 796 N ALA A 51 -10.766 -0.085 -6.922 1.00 0.00 N ATOM 797 CA ALA A 51 -9.438 -0.479 -7.298 1.00 0.00 C ATOM 798 C ALA A 51 -8.972 -1.650 -6.484 1.00 0.00 C ATOM 799 O ALA A 51 -9.361 -1.824 -5.334 1.00 0.00 O ATOM 800 CB ALA A 51 -8.506 0.669 -7.082 1.00 0.00 C ATOM 0 H ALA A 51 -10.792 0.636 -6.201 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.448 -0.769 -8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.495 0.376 -7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.823 1.515 -7.692 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.519 0.955 -6.030 1.00 0.00 H new ATOM 806 N ASP A 52 -8.140 -2.441 -7.087 1.00 0.00 N ATOM 807 CA ASP A 52 -7.549 -3.578 -6.447 1.00 0.00 C ATOM 808 C ASP A 52 -6.124 -3.640 -6.851 1.00 0.00 C ATOM 809 O ASP A 52 -5.747 -2.999 -7.844 1.00 0.00 O ATOM 810 CB ASP A 52 -8.224 -4.889 -6.867 1.00 0.00 C ATOM 811 CG ASP A 52 -7.992 -5.262 -8.323 1.00 0.00 C ATOM 812 OD1 ASP A 52 -6.970 -5.930 -8.647 1.00 0.00 O ATOM 813 OD2 ASP A 52 -8.838 -4.919 -9.170 1.00 0.00 O ATOM 0 H ASP A 52 -7.846 -2.313 -8.055 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.667 -3.466 -5.369 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.856 -5.695 -6.232 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.296 -4.807 -6.689 1.00 0.00 H new ATOM 818 N GLY A 53 -5.340 -4.358 -6.064 1.00 0.00 N ATOM 819 CA GLY A 53 -3.946 -4.646 -6.368 1.00 0.00 C ATOM 820 C GLY A 53 -3.134 -3.454 -6.852 1.00 0.00 C ATOM 821 O GLY A 53 -2.827 -2.532 -6.082 1.00 0.00 O ATOM 0 H GLY A 53 -5.657 -4.763 -5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.471 -5.051 -5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.909 -5.425 -7.130 1.00 0.00 H new ATOM 825 N LYS A 54 -2.854 -3.452 -8.150 1.00 0.00 N ATOM 826 CA LYS A 54 -2.038 -2.434 -8.785 1.00 0.00 C ATOM 827 C LYS A 54 -2.714 -1.098 -8.717 1.00 0.00 C ATOM 828 O LYS A 54 -2.086 -0.087 -8.434 1.00 0.00 O ATOM 829 CB LYS A 54 -1.825 -2.754 -10.240 1.00 0.00 C ATOM 830 CG LYS A 54 -0.716 -1.932 -10.853 1.00 0.00 C ATOM 831 CD LYS A 54 -1.035 -1.527 -12.258 1.00 0.00 C ATOM 832 CE LYS A 54 -1.820 -0.253 -12.237 1.00 0.00 C ATOM 833 NZ LYS A 54 -0.935 0.923 -12.070 1.00 0.00 N ATOM 0 H LYS A 54 -3.193 -4.166 -8.795 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.085 -2.409 -8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.590 -3.813 -10.346 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.751 -2.577 -10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.547 -1.041 -10.248 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.211 -2.506 -10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.116 -1.392 -12.828 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.606 -2.312 -12.755 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.385 -0.157 -13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.545 -0.284 -11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.481 1.794 -12.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.544 0.929 -11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.157 0.873 -12.758 1.00 0.00 H new ATOM 847 N LYS A 55 -4.006 -1.097 -8.977 1.00 0.00 N ATOM 848 CA LYS A 55 -4.760 0.128 -8.998 1.00 0.00 C ATOM 849 C LYS A 55 -4.775 0.776 -7.646 1.00 0.00 C ATOM 850 O LYS A 55 -4.652 1.975 -7.537 1.00 0.00 O ATOM 851 CB LYS A 55 -6.188 -0.071 -9.484 1.00 0.00 C ATOM 852 CG LYS A 55 -6.357 -0.243 -10.978 1.00 0.00 C ATOM 853 CD LYS A 55 -5.941 1.012 -11.765 1.00 0.00 C ATOM 854 CE LYS A 55 -6.769 2.243 -11.374 1.00 0.00 C ATOM 855 NZ LYS A 55 -6.372 3.445 -12.133 1.00 0.00 N ATOM 0 H LYS A 55 -4.551 -1.936 -9.176 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.255 0.783 -9.708 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.602 -0.948 -8.987 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.783 0.785 -9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.761 -1.092 -11.313 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.398 -0.478 -11.198 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.885 1.216 -11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.055 0.824 -12.833 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.825 2.038 -11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.652 2.434 -10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.946 4.256 -11.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.366 3.647 -11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.524 3.280 -13.149 1.00 0.00 H new ATOM 869 N LEU A 56 -4.896 -0.034 -6.625 1.00 0.00 N ATOM 870 CA LEU A 56 -4.931 0.471 -5.277 1.00 0.00 C ATOM 871 C LEU A 56 -3.580 1.079 -4.903 1.00 0.00 C ATOM 872 O LEU A 56 -3.524 2.169 -4.352 1.00 0.00 O ATOM 873 CB LEU A 56 -5.357 -0.616 -4.294 1.00 0.00 C ATOM 874 CG LEU A 56 -5.527 -0.168 -2.836 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.525 0.974 -2.728 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.985 -1.322 -1.984 1.00 0.00 C ATOM 0 H LEU A 56 -4.972 -1.048 -6.702 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.679 1.262 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.301 -1.040 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.618 -1.417 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.558 0.182 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.626 1.271 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.172 1.822 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.493 0.648 -3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.101 -0.989 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.941 -1.692 -2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.245 -2.121 -2.026 1.00 0.00 H new ATOM 888 N ALA A 57 -2.498 0.388 -5.266 1.00 0.00 N ATOM 889 CA ALA A 57 -1.125 0.871 -5.029 1.00 0.00 C ATOM 890 C ALA A 57 -0.912 2.232 -5.707 1.00 0.00 C ATOM 891 O ALA A 57 -0.238 3.128 -5.177 1.00 0.00 O ATOM 892 CB ALA A 57 -0.134 -0.136 -5.588 1.00 0.00 C ATOM 0 H ALA A 57 -2.542 -0.519 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.970 0.986 -3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.882 0.218 -5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.273 -1.097 -5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.299 -0.253 -6.659 1.00 0.00 H new ATOM 898 N GLU A 58 -1.547 2.383 -6.850 1.00 0.00 N ATOM 899 CA GLU A 58 -1.482 3.579 -7.658 1.00 0.00 C ATOM 900 C GLU A 58 -2.195 4.745 -6.950 1.00 0.00 C ATOM 901 O GLU A 58 -1.805 5.907 -7.081 1.00 0.00 O ATOM 902 CB GLU A 58 -2.102 3.261 -9.027 1.00 0.00 C ATOM 903 CG GLU A 58 -2.114 4.386 -10.034 1.00 0.00 C ATOM 904 CD GLU A 58 -2.553 3.905 -11.384 1.00 0.00 C ATOM 905 OE1 GLU A 58 -3.765 3.883 -11.671 1.00 0.00 O ATOM 906 OE2 GLU A 58 -1.689 3.500 -12.188 1.00 0.00 O ATOM 0 H GLU A 58 -2.139 1.656 -7.252 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.448 3.893 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.561 2.420 -9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.129 2.932 -8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.783 5.176 -9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.118 4.822 -10.107 1.00 0.00 H new ATOM 913 N ILE A 59 -3.198 4.419 -6.160 1.00 0.00 N ATOM 914 CA ILE A 59 -3.948 5.405 -5.411 1.00 0.00 C ATOM 915 C ILE A 59 -3.190 5.791 -4.119 1.00 0.00 C ATOM 916 O ILE A 59 -3.378 6.884 -3.564 1.00 0.00 O ATOM 917 CB ILE A 59 -5.383 4.888 -5.132 1.00 0.00 C ATOM 918 CG1 ILE A 59 -6.061 4.635 -6.470 1.00 0.00 C ATOM 919 CG2 ILE A 59 -6.193 5.917 -4.339 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.213 3.699 -6.412 1.00 0.00 C ATOM 0 H ILE A 59 -3.516 3.460 -6.019 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.046 6.315 -6.003 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.329 3.973 -4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.403 5.587 -6.875 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.323 4.239 -7.167 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.195 5.529 -4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.701 6.112 -3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.261 6.844 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.634 3.578 -7.410 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.877 2.731 -6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.974 4.100 -5.743 1.00 0.00 H new ATOM 932 N LEU A 60 -2.298 4.918 -3.673 1.00 0.00 N ATOM 933 CA LEU A 60 -1.429 5.250 -2.549 1.00 0.00 C ATOM 934 C LEU A 60 -0.466 6.361 -2.956 1.00 0.00 C ATOM 935 O LEU A 60 -0.347 7.376 -2.261 1.00 0.00 O ATOM 936 CB LEU A 60 -0.647 4.026 -1.999 1.00 0.00 C ATOM 937 CG LEU A 60 -1.326 3.144 -0.916 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.634 3.949 0.337 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.577 2.460 -1.429 1.00 0.00 C ATOM 0 H LEU A 60 -2.156 3.987 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.070 5.592 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.399 3.383 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.295 4.390 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.611 2.362 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.109 3.304 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.708 4.351 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.306 4.769 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.013 1.856 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.297 3.212 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.321 1.819 -2.273 1.00 0.00 H new ATOM 951 N VAL A 61 0.172 6.200 -4.124 1.00 0.00 N ATOM 952 CA VAL A 61 1.120 7.212 -4.626 1.00 0.00 C ATOM 953 C VAL A 61 0.373 8.433 -5.157 1.00 0.00 C ATOM 954 O VAL A 61 0.947 9.494 -5.349 1.00 0.00 O ATOM 955 CB VAL A 61 2.090 6.663 -5.716 1.00 0.00 C ATOM 956 CG1 VAL A 61 2.902 5.506 -5.186 1.00 0.00 C ATOM 957 CG2 VAL A 61 1.350 6.255 -6.969 1.00 0.00 C ATOM 0 H VAL A 61 0.053 5.391 -4.734 1.00 0.00 H new ATOM 0 HA VAL A 61 1.735 7.500 -3.774 1.00 0.00 H new ATOM 0 HB VAL A 61 2.770 7.474 -5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.570 5.142 -5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.490 5.836 -4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.233 4.703 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.060 5.878 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.629 5.474 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.826 7.118 -7.380 1.00 0.00 H new ATOM 967 N ASN A 62 -0.917 8.251 -5.386 1.00 0.00 N ATOM 968 CA ASN A 62 -1.830 9.324 -5.801 1.00 0.00 C ATOM 969 C ASN A 62 -1.906 10.394 -4.717 1.00 0.00 C ATOM 970 O ASN A 62 -2.169 11.563 -4.992 1.00 0.00 O ATOM 971 CB ASN A 62 -3.234 8.727 -6.054 1.00 0.00 C ATOM 972 CG ASN A 62 -4.355 9.743 -6.234 1.00 0.00 C ATOM 973 OD1 ASN A 62 -4.970 10.174 -5.261 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.672 10.076 -7.451 1.00 0.00 N ATOM 0 H ASN A 62 -1.374 7.344 -5.290 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.459 9.782 -6.718 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.188 8.100 -6.945 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.489 8.075 -5.218 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.451 10.712 -7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.141 9.701 -8.237 1.00 0.00 H new ATOM 981 N THR A 63 -1.654 9.992 -3.491 1.00 0.00 N ATOM 982 CA THR A 63 -1.734 10.886 -2.385 1.00 0.00 C ATOM 983 C THR A 63 -0.416 11.026 -1.616 1.00 0.00 C ATOM 984 O THR A 63 0.244 12.076 -1.688 1.00 0.00 O ATOM 985 CB THR A 63 -2.899 10.500 -1.454 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.998 9.053 -1.366 1.00 0.00 O ATOM 987 CG2 THR A 63 -4.200 11.082 -1.971 1.00 0.00 C ATOM 0 H THR A 63 -1.390 9.038 -3.246 1.00 0.00 H new ATOM 0 HA THR A 63 -1.935 11.874 -2.799 1.00 0.00 H new ATOM 0 HB THR A 63 -2.708 10.906 -0.461 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.699 8.811 -0.725 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.015 10.801 -1.304 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.122 12.168 -2.011 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.400 10.695 -2.970 1.00 0.00 H new ATOM 995 N SER A 64 -0.001 9.976 -0.956 1.00 0.00 N ATOM 996 CA SER A 64 1.137 10.048 -0.069 1.00 0.00 C ATOM 997 C SER A 64 2.463 9.945 -0.790 1.00 0.00 C ATOM 998 O SER A 64 2.553 9.394 -1.898 1.00 0.00 O ATOM 999 CB SER A 64 1.035 8.975 0.993 1.00 0.00 C ATOM 1000 OG SER A 64 -0.157 9.129 1.719 1.00 0.00 O ATOM 0 H SER A 64 -0.435 9.055 -1.015 1.00 0.00 H new ATOM 0 HA SER A 64 1.112 11.034 0.395 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.063 7.989 0.529 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.890 9.035 1.666 1.00 0.00 H new ATOM 0 HG SER A 64 -0.216 8.430 2.403 1.00 0.00 H new ATOM 1006 N SER A 65 3.457 10.524 -0.172 1.00 0.00 N ATOM 1007 CA SER A 65 4.819 10.474 -0.613 1.00 0.00 C ATOM 1008 C SER A 65 5.331 9.033 -0.627 1.00 0.00 C ATOM 1009 O SER A 65 5.054 8.245 0.288 1.00 0.00 O ATOM 1010 CB SER A 65 5.662 11.418 0.251 1.00 0.00 C ATOM 1011 OG SER A 65 5.298 11.328 1.625 1.00 0.00 O ATOM 0 H SER A 65 3.332 11.063 0.685 1.00 0.00 H new ATOM 0 HA SER A 65 4.898 10.822 -1.643 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.718 11.174 0.136 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.533 12.444 -0.095 1.00 0.00 H new ATOM 0 HG SER A 65 5.854 11.940 2.151 1.00 0.00 H new ATOM 1017 N GLU A 66 6.057 8.706 -1.671 1.00 0.00 N ATOM 1018 CA GLU A 66 6.498 7.352 -1.967 1.00 0.00 C ATOM 1019 C GLU A 66 7.232 6.653 -0.815 1.00 0.00 C ATOM 1020 O GLU A 66 6.987 5.471 -0.550 1.00 0.00 O ATOM 1021 CB GLU A 66 7.340 7.346 -3.235 1.00 0.00 C ATOM 1022 CG GLU A 66 8.583 8.201 -3.152 1.00 0.00 C ATOM 1023 CD GLU A 66 9.369 8.245 -4.430 1.00 0.00 C ATOM 1024 OE1 GLU A 66 10.181 7.331 -4.675 1.00 0.00 O ATOM 1025 OE2 GLU A 66 9.208 9.221 -5.203 1.00 0.00 O ATOM 0 H GLU A 66 6.369 9.390 -2.360 1.00 0.00 H new ATOM 0 HA GLU A 66 5.592 6.765 -2.118 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.632 6.320 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.728 7.693 -4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.298 9.216 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.222 7.821 -2.355 1.00 0.00 H new ATOM 1032 N ASN A 67 8.078 7.363 -0.097 1.00 0.00 N ATOM 1033 CA ASN A 67 8.851 6.685 0.944 1.00 0.00 C ATOM 1034 C ASN A 67 8.093 6.661 2.262 1.00 0.00 C ATOM 1035 O ASN A 67 8.440 5.938 3.191 1.00 0.00 O ATOM 1036 CB ASN A 67 10.285 7.238 1.074 1.00 0.00 C ATOM 1037 CG ASN A 67 11.162 6.437 2.044 1.00 0.00 C ATOM 1038 OD1 ASN A 67 11.761 5.413 1.671 1.00 0.00 O ATOM 1039 ND2 ASN A 67 11.307 6.912 3.255 1.00 0.00 N ATOM 0 H ASN A 67 8.250 8.363 -0.200 1.00 0.00 H new ATOM 0 HA ASN A 67 8.976 5.647 0.636 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.755 7.243 0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.238 8.274 1.410 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.923 6.440 3.917 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.804 7.754 3.536 1.00 0.00 H new ATOM 1046 N TRP A 68 7.026 7.416 2.324 1.00 0.00 N ATOM 1047 CA TRP A 68 6.143 7.387 3.466 1.00 0.00 C ATOM 1048 C TRP A 68 5.339 6.094 3.373 1.00 0.00 C ATOM 1049 O TRP A 68 5.160 5.359 4.356 1.00 0.00 O ATOM 1050 CB TRP A 68 5.191 8.585 3.407 1.00 0.00 C ATOM 1051 CG TRP A 68 4.325 8.756 4.614 1.00 0.00 C ATOM 1052 CD1 TRP A 68 4.566 9.586 5.653 1.00 0.00 C ATOM 1053 CD2 TRP A 68 3.086 8.085 4.912 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.560 9.495 6.574 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.639 8.580 6.144 1.00 0.00 C ATOM 1056 CE3 TRP A 68 2.311 7.120 4.254 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.458 8.146 6.731 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 1.150 6.696 4.839 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.733 7.209 6.065 1.00 0.00 C ATOM 0 H TRP A 68 6.744 8.065 1.590 1.00 0.00 H new ATOM 0 HA TRP A 68 6.706 7.434 4.398 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.779 9.492 3.267 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.552 8.481 2.530 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.429 10.229 5.743 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.505 10.025 7.444 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.625 6.718 3.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.128 8.538 7.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.546 5.951 4.342 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.190 6.853 6.498 1.00 0.00 H new ATOM 1070 N ILE A 69 4.928 5.793 2.143 1.00 0.00 N ATOM 1071 CA ILE A 69 4.097 4.634 1.815 1.00 0.00 C ATOM 1072 C ILE A 69 4.776 3.310 2.203 1.00 0.00 C ATOM 1073 O ILE A 69 4.093 2.297 2.422 1.00 0.00 O ATOM 1074 CB ILE A 69 3.732 4.624 0.298 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.045 5.931 -0.072 1.00 0.00 C ATOM 1076 CG2 ILE A 69 2.804 3.451 -0.041 1.00 0.00 C ATOM 1077 CD1 ILE A 69 2.773 6.079 -1.542 1.00 0.00 C ATOM 0 H ILE A 69 5.168 6.359 1.329 1.00 0.00 H new ATOM 0 HA ILE A 69 3.182 4.723 2.400 1.00 0.00 H new ATOM 0 HB ILE A 69 4.654 4.512 -0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.103 6.002 0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.666 6.763 0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.567 3.470 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.301 2.512 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.884 3.536 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.282 7.035 -1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.714 6.042 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.125 5.268 -1.876 1.00 0.00 H new ATOM 1089 N ARG A 70 6.108 3.326 2.338 1.00 0.00 N ATOM 1090 CA ARG A 70 6.836 2.114 2.688 1.00 0.00 C ATOM 1091 C ARG A 70 6.389 1.608 4.059 1.00 0.00 C ATOM 1092 O ARG A 70 6.284 0.424 4.272 1.00 0.00 O ATOM 1093 CB ARG A 70 8.367 2.309 2.640 1.00 0.00 C ATOM 1094 CG ARG A 70 9.011 2.952 3.862 1.00 0.00 C ATOM 1095 CD ARG A 70 10.502 3.108 3.650 1.00 0.00 C ATOM 1096 NE ARG A 70 11.224 3.453 4.880 1.00 0.00 N ATOM 1097 CZ ARG A 70 12.487 3.876 4.918 1.00 0.00 C ATOM 1098 NH1 ARG A 70 13.054 4.374 3.834 1.00 0.00 N ATOM 1099 NH2 ARG A 70 13.151 3.883 6.042 1.00 0.00 N ATOM 0 H ARG A 70 6.690 4.154 2.211 1.00 0.00 H new ATOM 0 HA ARG A 70 6.597 1.361 1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.830 1.335 2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.606 2.919 1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.560 3.926 4.049 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.824 2.340 4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.905 2.179 3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.678 3.882 2.903 1.00 0.00 H new ATOM 0 HE ARG A 70 10.726 3.363 5.765 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.525 4.436 2.964 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.021 4.697 3.867 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.703 3.563 6.901 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.117 4.209 6.061 1.00 0.00 H new ATOM 1113 N ASN A 71 6.069 2.540 4.958 1.00 0.00 N ATOM 1114 CA ASN A 71 5.578 2.195 6.285 1.00 0.00 C ATOM 1115 C ASN A 71 4.190 1.599 6.154 1.00 0.00 C ATOM 1116 O ASN A 71 3.907 0.520 6.668 1.00 0.00 O ATOM 1117 CB ASN A 71 5.516 3.453 7.180 1.00 0.00 C ATOM 1118 CG ASN A 71 4.916 3.189 8.564 1.00 0.00 C ATOM 1119 OD1 ASN A 71 5.057 2.110 9.129 1.00 0.00 O ATOM 1120 ND2 ASN A 71 4.239 4.169 9.112 1.00 0.00 N ATOM 0 H ASN A 71 6.143 3.543 4.786 1.00 0.00 H new ATOM 0 HA ASN A 71 6.255 1.474 6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.522 3.854 7.300 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.925 4.219 6.677 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.814 4.044 10.031 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.137 5.056 8.620 1.00 0.00 H new ATOM 1127 N ALA A 72 3.360 2.288 5.384 1.00 0.00 N ATOM 1128 CA ALA A 72 1.967 1.926 5.188 1.00 0.00 C ATOM 1129 C ALA A 72 1.798 0.484 4.686 1.00 0.00 C ATOM 1130 O ALA A 72 1.186 -0.341 5.352 1.00 0.00 O ATOM 1131 CB ALA A 72 1.304 2.899 4.221 1.00 0.00 C ATOM 0 H ALA A 72 3.640 3.124 4.872 1.00 0.00 H new ATOM 0 HA ALA A 72 1.480 1.986 6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.260 2.618 4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.357 3.909 4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.820 2.867 3.261 1.00 0.00 H new ATOM 1137 N THR A 73 2.416 0.172 3.562 1.00 0.00 N ATOM 1138 CA THR A 73 2.234 -1.131 2.901 1.00 0.00 C ATOM 1139 C THR A 73 3.001 -2.252 3.607 1.00 0.00 C ATOM 1140 O THR A 73 2.967 -3.395 3.183 1.00 0.00 O ATOM 1141 CB THR A 73 2.647 -1.053 1.416 1.00 0.00 C ATOM 1142 OG1 THR A 73 2.252 -2.236 0.716 1.00 0.00 O ATOM 1143 CG2 THR A 73 4.163 -0.874 1.280 1.00 0.00 C ATOM 0 H THR A 73 3.055 0.800 3.076 1.00 0.00 H new ATOM 0 HA THR A 73 1.173 -1.373 2.963 1.00 0.00 H new ATOM 0 HB THR A 73 2.142 -0.191 0.981 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.375 -3.016 1.297 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.430 -0.822 0.224 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.467 0.047 1.777 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.672 -1.720 1.741 1.00 0.00 H new ATOM 1151 N VAL A 74 3.714 -1.924 4.612 1.00 0.00 N ATOM 1152 CA VAL A 74 4.295 -2.945 5.428 1.00 0.00 C ATOM 1153 C VAL A 74 3.364 -3.183 6.599 1.00 0.00 C ATOM 1154 O VAL A 74 2.918 -4.313 6.843 1.00 0.00 O ATOM 1155 CB VAL A 74 5.725 -2.586 5.935 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.194 -3.606 6.948 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.719 -2.548 4.780 1.00 0.00 C ATOM 0 H VAL A 74 3.916 -0.966 4.899 1.00 0.00 H new ATOM 0 HA VAL A 74 4.413 -3.845 4.825 1.00 0.00 H new ATOM 0 HB VAL A 74 5.675 -1.600 6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.194 -3.343 7.293 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.509 -3.619 7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.218 -4.593 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.709 -2.295 5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.754 -3.525 4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.406 -1.796 4.055 1.00 0.00 H new ATOM 1167 N ASN A 75 2.996 -2.095 7.243 1.00 0.00 N ATOM 1168 CA ASN A 75 2.195 -2.105 8.459 1.00 0.00 C ATOM 1169 C ASN A 75 0.819 -2.733 8.259 1.00 0.00 C ATOM 1170 O ASN A 75 0.391 -3.512 9.082 1.00 0.00 O ATOM 1171 CB ASN A 75 2.041 -0.685 8.999 1.00 0.00 C ATOM 1172 CG ASN A 75 1.498 -0.631 10.417 1.00 0.00 C ATOM 1173 OD1 ASN A 75 0.761 0.290 10.771 1.00 0.00 O ATOM 1174 ND2 ASN A 75 1.913 -1.553 11.253 1.00 0.00 N ATOM 0 H ASN A 75 3.249 -1.157 6.933 1.00 0.00 H new ATOM 0 HA ASN A 75 2.728 -2.724 9.181 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.010 -0.187 8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.375 -0.125 8.342 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.626 -1.521 12.231 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.523 -2.302 10.925 1.00 0.00 H new ATOM 1181 N ILE A 76 0.138 -2.426 7.149 1.00 0.00 N ATOM 1182 CA ILE A 76 -1.224 -2.988 6.916 1.00 0.00 C ATOM 1183 C ILE A 76 -1.141 -4.504 6.831 1.00 0.00 C ATOM 1184 O ILE A 76 -1.989 -5.229 7.341 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.878 -2.489 5.597 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.759 -0.981 5.445 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.345 -2.907 5.541 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.315 -0.181 6.572 1.00 0.00 C ATOM 0 H ILE A 76 0.482 -1.812 6.411 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.836 -2.653 7.753 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.340 -2.951 4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.706 -0.727 5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.265 -0.684 4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.790 -2.551 4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.416 -3.994 5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.879 -2.475 6.388 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.180 0.881 6.366 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.378 -0.397 6.682 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.794 -0.440 7.494 1.00 0.00 H new ATOM 1200 N LEU A 77 -0.081 -4.956 6.227 1.00 0.00 N ATOM 1201 CA LEU A 77 0.164 -6.357 6.045 1.00 0.00 C ATOM 1202 C LEU A 77 0.487 -7.000 7.397 1.00 0.00 C ATOM 1203 O LEU A 77 0.043 -8.112 7.688 1.00 0.00 O ATOM 1204 CB LEU A 77 1.274 -6.583 4.991 1.00 0.00 C ATOM 1205 CG LEU A 77 0.909 -6.317 3.490 1.00 0.00 C ATOM 1206 CD1 LEU A 77 0.399 -4.912 3.228 1.00 0.00 C ATOM 1207 CD2 LEU A 77 2.090 -6.634 2.590 1.00 0.00 C ATOM 0 H LEU A 77 0.647 -4.354 5.842 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.731 -6.843 5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.119 -5.945 5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.615 -7.615 5.077 1.00 0.00 H new ATOM 0 HG LEU A 77 0.083 -6.988 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.167 -4.801 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.501 -4.736 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.164 -4.189 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.818 -6.443 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.936 -6.004 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.365 -7.682 2.706 1.00 0.00 H new ATOM 1219 N GLU A 78 1.199 -6.256 8.242 1.00 0.00 N ATOM 1220 CA GLU A 78 1.493 -6.670 9.621 1.00 0.00 C ATOM 1221 C GLU A 78 0.183 -6.780 10.409 1.00 0.00 C ATOM 1222 O GLU A 78 0.006 -7.673 11.247 1.00 0.00 O ATOM 1223 CB GLU A 78 2.393 -5.643 10.314 1.00 0.00 C ATOM 1224 CG GLU A 78 3.732 -5.422 9.657 1.00 0.00 C ATOM 1225 CD GLU A 78 4.569 -4.427 10.409 1.00 0.00 C ATOM 1226 OE1 GLU A 78 4.088 -3.296 10.673 1.00 0.00 O ATOM 1227 OE2 GLU A 78 5.707 -4.758 10.780 1.00 0.00 O ATOM 0 H GLU A 78 1.591 -5.348 7.993 1.00 0.00 H new ATOM 0 HA GLU A 78 2.004 -7.633 9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.865 -4.690 10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.558 -5.963 11.343 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.266 -6.370 9.593 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.582 -5.071 8.636 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.729 -5.869 10.116 1.00 0.00 N ATOM 1235 CA GLU A 79 -2.046 -5.816 10.737 1.00 0.00 C ATOM 1236 C GLU A 79 -2.942 -6.969 10.282 1.00 0.00 C ATOM 1237 O GLU A 79 -3.950 -7.263 10.913 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.715 -4.471 10.454 1.00 0.00 C ATOM 1239 CG GLU A 79 -1.988 -3.271 11.050 1.00 0.00 C ATOM 1240 CD GLU A 79 -1.799 -3.392 12.540 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -2.714 -3.009 13.308 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -0.761 -3.898 12.983 1.00 0.00 O ATOM 0 H GLU A 79 -0.575 -5.132 9.428 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.904 -5.922 11.813 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.791 -4.336 9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.732 -4.495 10.844 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.015 -3.165 10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.551 -2.364 10.831 1.00 0.00 H new ATOM 1249 N MET A 80 -2.572 -7.606 9.187 1.00 0.00 N ATOM 1250 CA MET A 80 -3.310 -8.761 8.668 1.00 0.00 C ATOM 1251 C MET A 80 -2.590 -10.048 9.045 1.00 0.00 C ATOM 1252 O MET A 80 -2.990 -11.150 8.652 1.00 0.00 O ATOM 1253 CB MET A 80 -3.442 -8.682 7.143 1.00 0.00 C ATOM 1254 CG MET A 80 -4.248 -7.499 6.643 1.00 0.00 C ATOM 1255 SD MET A 80 -4.401 -7.450 4.846 1.00 0.00 S ATOM 1256 CE MET A 80 -5.253 -8.997 4.543 1.00 0.00 C ATOM 0 H MET A 80 -1.758 -7.346 8.630 1.00 0.00 H new ATOM 0 HA MET A 80 -4.307 -8.754 9.108 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.444 -8.637 6.706 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.906 -9.600 6.783 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.244 -7.534 7.085 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.779 -6.577 6.986 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.967 -8.866 3.730 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.528 -9.764 4.269 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.782 -9.304 5.445 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.502 -9.878 9.792 1.00 0.00 N ATOM 1267 CA ASN A 81 -0.620 -10.970 10.257 1.00 0.00 C ATOM 1268 C ASN A 81 0.055 -11.660 9.058 1.00 0.00 C ATOM 1269 O ASN A 81 0.553 -12.777 9.152 1.00 0.00 O ATOM 1270 CB ASN A 81 -1.376 -11.995 11.147 1.00 0.00 C ATOM 1271 CG ASN A 81 -0.434 -12.936 11.911 1.00 0.00 C ATOM 1272 OD1 ASN A 81 0.682 -12.564 12.263 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -0.874 -14.138 12.178 1.00 0.00 N ATOM 0 H ASN A 81 -1.193 -8.957 10.104 1.00 0.00 H new ATOM 0 HA ASN A 81 0.154 -10.526 10.883 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.001 -11.457 11.860 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.044 -12.588 10.522 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.286 -14.794 12.691 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.806 -14.419 11.873 1.00 0.00 H new ATOM 1280 N LEU A 82 0.096 -10.961 7.939 1.00 0.00 N ATOM 1281 CA LEU A 82 0.733 -11.462 6.747 1.00 0.00 C ATOM 1282 C LEU A 82 2.225 -11.470 6.973 1.00 0.00 C ATOM 1283 O LEU A 82 2.780 -10.505 7.497 1.00 0.00 O ATOM 1284 CB LEU A 82 0.378 -10.594 5.525 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.082 -10.645 5.043 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.322 -9.620 3.937 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.426 -12.039 4.537 1.00 0.00 C ATOM 0 H LEU A 82 -0.312 -10.032 7.836 1.00 0.00 H new ATOM 0 HA LEU A 82 0.380 -12.473 6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.623 -9.558 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.021 -10.893 4.697 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.726 -10.405 5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.361 -9.673 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.111 -8.620 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.665 -9.834 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.462 -12.058 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.769 -12.297 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.293 -12.761 5.342 1.00 0.00 H new ATOM 1299 N THR A 83 2.861 -12.532 6.617 1.00 0.00 N ATOM 1300 CA THR A 83 4.269 -12.651 6.816 1.00 0.00 C ATOM 1301 C THR A 83 4.976 -12.712 5.499 1.00 0.00 C ATOM 1302 O THR A 83 5.697 -11.818 5.155 1.00 0.00 O ATOM 1303 CB THR A 83 4.617 -13.887 7.657 1.00 0.00 C ATOM 1304 OG1 THR A 83 3.788 -15.000 7.259 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.457 -13.613 9.128 1.00 0.00 C ATOM 0 H THR A 83 2.423 -13.343 6.180 1.00 0.00 H new ATOM 0 HA THR A 83 4.602 -11.768 7.362 1.00 0.00 H new ATOM 0 HB THR A 83 5.663 -14.137 7.479 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.015 -15.786 7.798 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.711 -14.509 9.695 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.119 -12.798 9.421 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.424 -13.333 9.336 1.00 0.00 H new ATOM 1313 N GLU A 84 4.664 -13.730 4.749 1.00 0.00 N ATOM 1314 CA GLU A 84 5.265 -14.053 3.461 1.00 0.00 C ATOM 1315 C GLU A 84 5.503 -12.824 2.549 1.00 0.00 C ATOM 1316 O GLU A 84 6.643 -12.504 2.207 1.00 0.00 O ATOM 1317 CB GLU A 84 4.419 -15.125 2.742 1.00 0.00 C ATOM 1318 CG GLU A 84 2.885 -14.893 2.760 1.00 0.00 C ATOM 1319 CD GLU A 84 2.210 -15.246 4.075 1.00 0.00 C ATOM 1320 OE1 GLU A 84 2.065 -16.434 4.376 1.00 0.00 O ATOM 1321 OE2 GLU A 84 1.843 -14.321 4.839 1.00 0.00 O ATOM 0 H GLU A 84 3.946 -14.401 5.023 1.00 0.00 H new ATOM 0 HA GLU A 84 6.259 -14.448 3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.747 -15.185 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.627 -16.093 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.686 -13.846 2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.432 -15.483 1.963 1.00 0.00 H new ATOM 1328 N LEU A 85 4.451 -12.130 2.199 1.00 0.00 N ATOM 1329 CA LEU A 85 4.576 -10.968 1.339 1.00 0.00 C ATOM 1330 C LEU A 85 5.019 -9.738 2.124 1.00 0.00 C ATOM 1331 O LEU A 85 5.676 -8.876 1.606 1.00 0.00 O ATOM 1332 CB LEU A 85 3.294 -10.681 0.508 1.00 0.00 C ATOM 1333 CG LEU A 85 1.979 -10.348 1.254 1.00 0.00 C ATOM 1334 CD1 LEU A 85 0.948 -9.842 0.276 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.413 -11.564 1.973 1.00 0.00 C ATOM 0 H LEU A 85 3.498 -12.344 2.492 1.00 0.00 H new ATOM 0 HA LEU A 85 5.357 -11.208 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.514 -9.849 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.106 -11.552 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 85 2.211 -9.583 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.025 -9.610 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.321 -8.942 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.751 -10.608 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.491 -11.288 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.205 -12.351 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.138 -11.925 2.703 1.00 0.00 H new ATOM 1347 N CYS A 86 4.721 -9.705 3.388 1.00 0.00 N ATOM 1348 CA CYS A 86 5.091 -8.574 4.226 1.00 0.00 C ATOM 1349 C CYS A 86 6.619 -8.554 4.429 1.00 0.00 C ATOM 1350 O CYS A 86 7.251 -7.504 4.453 1.00 0.00 O ATOM 1351 CB CYS A 86 4.383 -8.699 5.547 1.00 0.00 C ATOM 1352 SG CYS A 86 4.675 -7.350 6.718 1.00 0.00 S ATOM 0 H CYS A 86 4.220 -10.447 3.876 1.00 0.00 H new ATOM 0 HA CYS A 86 4.797 -7.640 3.747 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.311 -8.769 5.360 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.687 -9.635 6.015 1.00 0.00 H new ATOM 0 HG CYS A 86 3.846 -6.379 6.477 1.00 0.00 H new ATOM 1358 N LYS A 87 7.199 -9.731 4.515 1.00 0.00 N ATOM 1359 CA LYS A 87 8.635 -9.912 4.644 1.00 0.00 C ATOM 1360 C LYS A 87 9.323 -9.576 3.336 1.00 0.00 C ATOM 1361 O LYS A 87 10.519 -9.299 3.298 1.00 0.00 O ATOM 1362 CB LYS A 87 8.932 -11.337 5.076 1.00 0.00 C ATOM 1363 CG LYS A 87 8.468 -11.637 6.496 1.00 0.00 C ATOM 1364 CD LYS A 87 8.449 -13.126 6.801 1.00 0.00 C ATOM 1365 CE LYS A 87 9.786 -13.771 6.550 1.00 0.00 C ATOM 1366 NZ LYS A 87 9.817 -15.173 6.998 1.00 0.00 N ATOM 0 H LYS A 87 6.679 -10.608 4.497 1.00 0.00 H new ATOM 0 HA LYS A 87 9.022 -9.236 5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.447 -12.028 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.005 -11.517 5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.126 -11.133 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.469 -11.227 6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.162 -13.279 7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.691 -13.612 6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.016 -13.726 5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.563 -13.208 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.755 -15.578 6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.624 -15.216 8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.094 -15.717 6.486 1.00 0.00 H new ATOM 1380 N MET A 88 8.553 -9.590 2.270 1.00 0.00 N ATOM 1381 CA MET A 88 9.021 -9.188 0.978 1.00 0.00 C ATOM 1382 C MET A 88 9.060 -7.679 0.955 1.00 0.00 C ATOM 1383 O MET A 88 9.968 -7.079 0.440 1.00 0.00 O ATOM 1384 CB MET A 88 8.078 -9.706 -0.090 1.00 0.00 C ATOM 1385 CG MET A 88 8.513 -9.412 -1.510 1.00 0.00 C ATOM 1386 SD MET A 88 10.146 -10.078 -1.908 1.00 0.00 S ATOM 1387 CE MET A 88 9.889 -11.829 -1.645 1.00 0.00 C ATOM 0 H MET A 88 7.577 -9.885 2.284 1.00 0.00 H new ATOM 0 HA MET A 88 10.014 -9.593 0.782 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.973 -10.784 0.028 1.00 0.00 H new ATOM 0 HB3 MET A 88 7.092 -9.270 0.072 1.00 0.00 H new ATOM 0 HG2 MET A 88 7.780 -9.828 -2.201 1.00 0.00 H new ATOM 0 HG3 MET A 88 8.520 -8.333 -1.665 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.707 -12.389 -2.098 1.00 0.00 H new ATOM 0 HE2 MET A 88 9.857 -12.035 -0.575 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.946 -12.131 -2.101 1.00 0.00 H new ATOM 1397 N ALA A 89 8.093 -7.072 1.606 1.00 0.00 N ATOM 1398 CA ALA A 89 8.021 -5.631 1.708 1.00 0.00 C ATOM 1399 C ALA A 89 9.167 -5.147 2.576 1.00 0.00 C ATOM 1400 O ALA A 89 9.795 -4.125 2.292 1.00 0.00 O ATOM 1401 CB ALA A 89 6.693 -5.208 2.276 1.00 0.00 C ATOM 0 H ALA A 89 7.335 -7.563 2.080 1.00 0.00 H new ATOM 0 HA ALA A 89 8.108 -5.185 0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.657 -4.121 2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.891 -5.557 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.568 -5.639 3.269 1.00 0.00 H new ATOM 1407 N LYS A 90 9.476 -5.943 3.598 1.00 0.00 N ATOM 1408 CA LYS A 90 10.625 -5.721 4.478 1.00 0.00 C ATOM 1409 C LYS A 90 11.949 -6.031 3.778 1.00 0.00 C ATOM 1410 O LYS A 90 13.008 -5.932 4.381 1.00 0.00 O ATOM 1411 CB LYS A 90 10.533 -6.575 5.758 1.00 0.00 C ATOM 1412 CG LYS A 90 9.530 -6.107 6.802 1.00 0.00 C ATOM 1413 CD LYS A 90 9.806 -4.665 7.173 1.00 0.00 C ATOM 1414 CE LYS A 90 9.198 -4.272 8.520 1.00 0.00 C ATOM 1415 NZ LYS A 90 9.432 -2.838 8.835 1.00 0.00 N ATOM 0 H LYS A 90 8.931 -6.770 3.842 1.00 0.00 H new ATOM 0 HA LYS A 90 10.600 -4.664 4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.280 -7.596 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.520 -6.608 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.516 -6.204 6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.594 -6.738 7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.883 -4.503 7.205 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.408 -4.012 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.126 -4.471 8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.628 -4.892 9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.005 -2.611 9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.455 -2.653 8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.000 -2.246 8.097 1.00 0.00 H new ATOM 1429 N ALA A 91 11.883 -6.436 2.540 1.00 0.00 N ATOM 1430 CA ALA A 91 13.068 -6.715 1.768 1.00 0.00 C ATOM 1431 C ALA A 91 13.174 -5.756 0.594 1.00 0.00 C ATOM 1432 O ALA A 91 14.238 -5.567 0.023 1.00 0.00 O ATOM 1433 CB ALA A 91 13.009 -8.147 1.250 1.00 0.00 C ATOM 0 H ALA A 91 11.009 -6.583 2.036 1.00 0.00 H new ATOM 0 HA ALA A 91 13.943 -6.588 2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.904 -8.360 0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.953 -8.837 2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.128 -8.270 0.621 1.00 0.00 H new ATOM 1439 N GLU A 92 12.069 -5.129 0.271 1.00 0.00 N ATOM 1440 CA GLU A 92 11.960 -4.350 -0.938 1.00 0.00 C ATOM 1441 C GLU A 92 11.650 -2.872 -0.691 1.00 0.00 C ATOM 1442 O GLU A 92 12.421 -2.009 -1.078 1.00 0.00 O ATOM 1443 CB GLU A 92 10.888 -4.965 -1.800 1.00 0.00 C ATOM 1444 CG GLU A 92 11.217 -6.349 -2.327 1.00 0.00 C ATOM 1445 CD GLU A 92 12.344 -6.356 -3.318 1.00 0.00 C ATOM 1446 OE1 GLU A 92 12.307 -5.585 -4.299 1.00 0.00 O ATOM 1447 OE2 GLU A 92 13.292 -7.141 -3.135 1.00 0.00 O ATOM 0 H GLU A 92 11.221 -5.144 0.838 1.00 0.00 H new ATOM 0 HA GLU A 92 12.931 -4.370 -1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.964 -5.020 -1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.697 -4.305 -2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.475 -6.997 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.328 -6.772 -2.795 1.00 0.00 H new ATOM 1454 N MET A 93 10.527 -2.577 -0.032 1.00 0.00 N ATOM 1455 CA MET A 93 10.113 -1.172 0.175 1.00 0.00 C ATOM 1456 C MET A 93 10.887 -0.492 1.290 1.00 0.00 C ATOM 1457 O MET A 93 10.840 0.729 1.441 1.00 0.00 O ATOM 1458 CB MET A 93 8.574 -1.009 0.366 1.00 0.00 C ATOM 1459 CG MET A 93 7.777 -1.000 -0.918 1.00 0.00 C ATOM 1460 SD MET A 93 8.209 0.362 -2.022 1.00 0.00 S ATOM 1461 CE MET A 93 7.797 1.786 -1.014 1.00 0.00 C ATOM 0 H MET A 93 9.893 -3.271 0.364 1.00 0.00 H new ATOM 0 HA MET A 93 10.368 -0.658 -0.752 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.212 -1.821 0.997 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.384 -0.079 0.902 1.00 0.00 H new ATOM 0 HG2 MET A 93 7.933 -1.944 -1.440 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.716 -0.940 -0.677 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.530 2.623 -1.659 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.954 1.542 -0.367 1.00 0.00 H new ATOM 0 HE3 MET A 93 8.657 2.060 -0.402 1.00 0.00 H new