USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 710 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 50 ASN : amide:sc= -0.0069 X(o=0.12,f=0.53) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0.0796 USER MOD Set 1.3: A 112 HIS : no HE2:sc= 0.0505 K(o=0.12,f=-8.6!) USER MOD Set 2.1: A 68 HIS : no HD1:sc= 0.503 K(o=0.5,f=-5.5!) USER MOD Set 2.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 76 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Set 3.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 60 GLN : amide:sc= -1.53! C(o=-1.5!,f=-6.2!) USER MOD Set 4.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 109 ASN : amide:sc= 0 X(o=-1.5,f=-1.6) USER MOD Set 5.1: A 34 ASN : amide:sc= -2.33! K(o=-2.9!,f=-0.63) USER MOD Set 5.2: A 36 ASN : amide:sc= -0.59 K(o=-2.9,f=-5.8!) USER MOD Set 6.1: A 30 SER OG : rot 180:sc= 0.0475 USER MOD Set 6.2: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 15 GLN : amide:sc= -1.91 K(o=-2.2,f=0.68) USER MOD Set 7.2: A 87 ASN : amide:sc= -0.243 K(o=-2.2,f=-5.3!) USER MOD Single : A 9 ASN : amide:sc= -5.26! C(o=-5.3!,f=-9.7!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 154:sc= 1.24 USER MOD Single : A 17 THR OG1 : rot 142:sc= 0.427 USER MOD Single : A 19 TYR OH : rot -132:sc= 0.988 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.879! X(o=-0.88!,f=-0.74) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.502 X(o=-0.5,f=-0.29) USER MOD Single : A 52 THR OG1 : rot -20:sc= 0.637 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0605 USER MOD Single : A 55 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.106) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0716 USER MOD Single : A 71 TYR OH : rot 180:sc=-0.00525 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -168:sc= -0.567 USER MOD Single : A 86 MET CE :methyl 159:sc= -0.64 (180deg=-1.19) USER MOD Single : A 89 SER OG : rot 18:sc= 0.893 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0181 USER MOD Single : A 107 ASN : amide:sc= 0.479 K(o=0.48,f=-0.054) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N ASN A 9 -13.835 1.494 3.959 1.00 0.00 N ATOM 99 CA ASN A 9 -13.007 2.341 3.114 1.00 0.00 C ATOM 100 C ASN A 9 -13.849 2.973 2.007 1.00 0.00 C ATOM 101 O ASN A 9 -14.879 2.430 1.606 1.00 0.00 O ATOM 102 CB ASN A 9 -11.846 1.521 2.531 1.00 0.00 C ATOM 103 CG ASN A 9 -10.935 2.322 1.611 1.00 0.00 C ATOM 104 OD1 ASN A 9 -10.847 3.542 1.698 1.00 0.00 O ATOM 105 ND2 ASN A 9 -10.226 1.633 0.740 1.00 0.00 N ATOM 0 HA ASN A 9 -12.588 3.148 3.715 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.253 1.113 3.350 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.252 0.674 1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.581 2.114 0.113 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.322 0.619 0.693 1.00 0.00 H new ATOM 112 N LEU A 10 -13.396 4.124 1.530 1.00 0.00 N ATOM 113 CA LEU A 10 -14.100 4.897 0.516 1.00 0.00 C ATOM 114 C LEU A 10 -14.036 4.224 -0.850 1.00 0.00 C ATOM 115 O LEU A 10 -14.840 4.521 -1.735 1.00 0.00 O ATOM 116 CB LEU A 10 -13.473 6.288 0.421 1.00 0.00 C ATOM 117 CG LEU A 10 -13.539 7.121 1.703 1.00 0.00 C ATOM 118 CD1 LEU A 10 -12.966 8.509 1.468 1.00 0.00 C ATOM 119 CD2 LEU A 10 -14.971 7.216 2.207 1.00 0.00 C ATOM 0 H LEU A 10 -12.523 4.551 1.838 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.147 4.967 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.428 6.179 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.970 6.839 -0.377 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.938 6.624 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.022 9.087 2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.925 8.425 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.540 9.012 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.997 7.812 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -15.594 7.688 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.350 6.216 2.416 1.00 0.00 H new ATOM 131 N TYR A 11 -13.066 3.333 -1.018 1.00 0.00 N ATOM 132 CA TYR A 11 -12.844 2.676 -2.297 1.00 0.00 C ATOM 133 C TYR A 11 -13.879 1.571 -2.529 1.00 0.00 C ATOM 134 O TYR A 11 -14.861 1.471 -1.796 1.00 0.00 O ATOM 135 CB TYR A 11 -11.424 2.106 -2.355 1.00 0.00 C ATOM 136 CG TYR A 11 -10.746 2.317 -3.689 1.00 0.00 C ATOM 137 CD1 TYR A 11 -10.208 3.553 -4.017 1.00 0.00 C ATOM 138 CD2 TYR A 11 -10.642 1.289 -4.617 1.00 0.00 C ATOM 139 CE1 TYR A 11 -9.587 3.762 -5.233 1.00 0.00 C ATOM 140 CE2 TYR A 11 -10.022 1.489 -5.836 1.00 0.00 C ATOM 141 CZ TYR A 11 -9.497 2.728 -6.140 1.00 0.00 C ATOM 142 OH TYR A 11 -8.873 2.929 -7.352 1.00 0.00 O ATOM 0 H TYR A 11 -12.420 3.049 -0.281 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.958 3.415 -3.090 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.822 2.569 -1.573 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.460 1.038 -2.139 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.276 4.366 -3.309 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -11.052 0.318 -4.382 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.174 4.731 -5.472 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.949 0.679 -6.547 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.895 2.099 -7.873 1.00 0.00 H new ATOM 152 N THR A 12 -13.649 0.750 -3.549 1.00 0.00 N ATOM 153 CA THR A 12 -14.600 -0.281 -3.944 1.00 0.00 C ATOM 154 C THR A 12 -14.712 -1.390 -2.890 1.00 0.00 C ATOM 155 O THR A 12 -15.489 -1.284 -1.943 1.00 0.00 O ATOM 156 CB THR A 12 -14.189 -0.896 -5.297 1.00 0.00 C ATOM 157 OG1 THR A 12 -13.789 0.140 -6.203 1.00 0.00 O ATOM 158 CG2 THR A 12 -15.332 -1.695 -5.908 1.00 0.00 C ATOM 0 H THR A 12 -12.805 0.780 -4.121 1.00 0.00 H new ATOM 0 HA THR A 12 -15.575 0.197 -4.037 1.00 0.00 H new ATOM 0 HB THR A 12 -13.353 -1.572 -5.120 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.528 -0.258 -7.060 1.00 0.00 H new ATOM 0 HG21 THR A 12 -15.013 -2.116 -6.861 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.615 -2.501 -5.231 1.00 0.00 H new ATOM 0 HG23 THR A 12 -16.188 -1.040 -6.070 1.00 0.00 H new ATOM 166 N ALA A 13 -13.916 -2.445 -3.058 1.00 0.00 N ATOM 167 CA ALA A 13 -13.934 -3.589 -2.161 1.00 0.00 C ATOM 168 C ALA A 13 -12.852 -4.578 -2.562 1.00 0.00 C ATOM 169 O ALA A 13 -12.753 -4.950 -3.730 1.00 0.00 O ATOM 170 CB ALA A 13 -15.296 -4.275 -2.174 1.00 0.00 C ATOM 0 H ALA A 13 -13.243 -2.526 -3.820 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.742 -3.232 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.281 -5.127 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.062 -3.569 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.520 -4.620 -3.183 1.00 0.00 H new ATOM 176 N GLY A 14 -12.028 -4.971 -1.597 1.00 0.00 N ATOM 177 CA GLY A 14 -10.972 -5.935 -1.852 1.00 0.00 C ATOM 178 C GLY A 14 -10.010 -5.482 -2.932 1.00 0.00 C ATOM 179 O GLY A 14 -9.444 -6.301 -3.648 1.00 0.00 O ATOM 0 H GLY A 14 -12.073 -4.636 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.418 -6.113 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.417 -6.886 -2.144 1.00 0.00 H new ATOM 183 N GLN A 15 -9.841 -4.176 -3.062 1.00 0.00 N ATOM 184 CA GLN A 15 -8.966 -3.619 -4.084 1.00 0.00 C ATOM 185 C GLN A 15 -7.558 -3.392 -3.548 1.00 0.00 C ATOM 186 O GLN A 15 -7.334 -3.403 -2.337 1.00 0.00 O ATOM 187 CB GLN A 15 -9.538 -2.303 -4.611 1.00 0.00 C ATOM 188 CG GLN A 15 -10.877 -2.461 -5.307 1.00 0.00 C ATOM 189 CD GLN A 15 -10.772 -3.250 -6.597 1.00 0.00 C ATOM 190 OE1 GLN A 15 -10.626 -2.678 -7.674 1.00 0.00 O ATOM 191 NE2 GLN A 15 -10.783 -4.564 -6.485 1.00 0.00 N ATOM 0 H GLN A 15 -10.298 -3.480 -2.473 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.907 -4.340 -4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.649 -1.606 -3.781 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.826 -1.859 -5.307 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.575 -2.961 -4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.290 -1.475 -5.521 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.907 -4.997 -5.570 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.667 -5.147 -7.314 1.00 0.00 H new ATOM 200 N CYS A 16 -6.630 -3.153 -4.469 1.00 0.00 N ATOM 201 CA CYS A 16 -5.231 -2.898 -4.137 1.00 0.00 C ATOM 202 C CYS A 16 -5.091 -1.683 -3.228 1.00 0.00 C ATOM 203 O CYS A 16 -4.308 -1.688 -2.284 1.00 0.00 O ATOM 204 CB CYS A 16 -4.448 -2.690 -5.431 1.00 0.00 C ATOM 205 SG CYS A 16 -5.380 -1.795 -6.694 1.00 0.00 S ATOM 0 H CYS A 16 -6.827 -3.130 -5.470 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.832 -3.756 -3.596 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.532 -2.143 -5.209 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.151 -3.661 -5.828 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.554 -1.184 -7.491 1.00 0.00 H new ATOM 211 N THR A 17 -5.880 -0.654 -3.498 1.00 0.00 N ATOM 212 CA THR A 17 -5.823 0.572 -2.710 1.00 0.00 C ATOM 213 C THR A 17 -6.911 0.565 -1.639 1.00 0.00 C ATOM 214 O THR A 17 -7.069 1.517 -0.876 1.00 0.00 O ATOM 215 CB THR A 17 -5.971 1.813 -3.610 1.00 0.00 C ATOM 216 OG1 THR A 17 -7.148 1.688 -4.414 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.761 1.978 -4.515 1.00 0.00 C ATOM 0 H THR A 17 -6.565 -0.641 -4.253 1.00 0.00 H new ATOM 0 HA THR A 17 -4.849 0.617 -2.224 1.00 0.00 H new ATOM 0 HB THR A 17 -6.049 2.691 -2.969 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.583 2.562 -4.495 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.892 2.862 -5.140 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.864 2.093 -3.906 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.658 1.097 -5.149 1.00 0.00 H new ATOM 225 N TRP A 18 -7.655 -0.531 -1.588 1.00 0.00 N ATOM 226 CA TRP A 18 -8.705 -0.698 -0.600 1.00 0.00 C ATOM 227 C TRP A 18 -8.147 -1.405 0.628 1.00 0.00 C ATOM 228 O TRP A 18 -8.345 -0.953 1.756 1.00 0.00 O ATOM 229 CB TRP A 18 -9.860 -1.500 -1.198 1.00 0.00 C ATOM 230 CG TRP A 18 -11.084 -1.576 -0.333 1.00 0.00 C ATOM 231 CD1 TRP A 18 -12.145 -0.716 -0.340 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.381 -2.570 0.657 1.00 0.00 C ATOM 233 NE1 TRP A 18 -13.084 -1.121 0.577 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.637 -2.250 1.205 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.709 -3.697 1.133 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -13.235 -3.018 2.203 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -11.301 -4.457 2.124 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.551 -4.114 2.650 1.00 0.00 C ATOM 0 H TRP A 18 -7.548 -1.321 -2.225 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.079 0.281 -0.302 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -10.135 -1.057 -2.155 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.513 -2.513 -1.403 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.233 0.154 -0.973 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.972 -0.654 0.760 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.743 -3.970 0.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.202 -2.757 2.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.789 -5.331 2.499 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.985 -4.728 3.425 1.00 0.00 H new ATOM 249 N TYR A 19 -7.433 -2.508 0.395 1.00 0.00 N ATOM 250 CA TYR A 19 -6.846 -3.292 1.479 1.00 0.00 C ATOM 251 C TYR A 19 -5.893 -2.437 2.305 1.00 0.00 C ATOM 252 O TYR A 19 -5.850 -2.534 3.530 1.00 0.00 O ATOM 253 CB TYR A 19 -6.107 -4.497 0.899 1.00 0.00 C ATOM 254 CG TYR A 19 -5.423 -5.379 1.924 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.161 -6.163 2.803 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.039 -5.439 1.999 1.00 0.00 C ATOM 257 CE1 TYR A 19 -5.535 -6.979 3.728 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.406 -6.254 2.918 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.157 -7.022 3.779 1.00 0.00 C ATOM 260 OH TYR A 19 -3.529 -7.839 4.694 1.00 0.00 O ATOM 0 H TYR A 19 -7.248 -2.878 -0.537 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.645 -3.641 2.133 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.816 -5.103 0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.359 -4.140 0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.240 -6.135 2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.445 -4.838 1.327 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.122 -7.580 4.407 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.327 -6.288 2.961 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.827 -7.334 5.155 1.00 0.00 H new ATOM 270 N VAL A 20 -5.141 -1.595 1.615 1.00 0.00 N ATOM 271 CA VAL A 20 -4.192 -0.697 2.259 1.00 0.00 C ATOM 272 C VAL A 20 -4.880 0.221 3.270 1.00 0.00 C ATOM 273 O VAL A 20 -4.507 0.247 4.443 1.00 0.00 O ATOM 274 CB VAL A 20 -3.450 0.158 1.214 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.557 1.180 1.893 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.635 -0.725 0.281 1.00 0.00 C ATOM 0 H VAL A 20 -5.169 -1.514 0.599 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.474 -1.321 2.791 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.193 0.692 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.042 1.773 1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.164 1.836 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.822 0.666 2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.118 -0.103 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.903 -1.288 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.299 -1.418 -0.237 1.00 0.00 H new ATOM 286 N TYR A 21 -5.896 0.953 2.821 1.00 0.00 N ATOM 287 CA TYR A 21 -6.571 1.925 3.677 1.00 0.00 C ATOM 288 C TYR A 21 -7.299 1.225 4.821 1.00 0.00 C ATOM 289 O TYR A 21 -7.453 1.786 5.906 1.00 0.00 O ATOM 290 CB TYR A 21 -7.552 2.764 2.856 1.00 0.00 C ATOM 291 CG TYR A 21 -8.043 4.014 3.555 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.232 5.133 3.670 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.324 4.078 4.085 1.00 0.00 C ATOM 294 CE1 TYR A 21 -7.684 6.282 4.291 1.00 0.00 C ATOM 295 CE2 TYR A 21 -9.784 5.219 4.707 1.00 0.00 C ATOM 296 CZ TYR A 21 -8.963 6.320 4.810 1.00 0.00 C ATOM 297 OH TYR A 21 -9.424 7.465 5.428 1.00 0.00 O ATOM 0 H TYR A 21 -6.269 0.892 1.874 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.818 2.586 4.105 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.072 3.050 1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.412 2.146 2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.230 5.106 3.267 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.973 3.218 4.009 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.040 7.146 4.370 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.785 5.249 5.112 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.344 7.323 5.735 1.00 0.00 H new ATOM 307 N ASP A 22 -7.734 -0.006 4.581 1.00 0.00 N ATOM 308 CA ASP A 22 -8.402 -0.792 5.614 1.00 0.00 C ATOM 309 C ASP A 22 -7.412 -1.195 6.703 1.00 0.00 C ATOM 310 O ASP A 22 -7.672 -1.010 7.893 1.00 0.00 O ATOM 311 CB ASP A 22 -9.045 -2.043 5.014 1.00 0.00 C ATOM 312 CG ASP A 22 -9.809 -2.857 6.043 1.00 0.00 C ATOM 313 OD1 ASP A 22 -9.191 -3.702 6.725 1.00 0.00 O ATOM 314 OD2 ASP A 22 -11.038 -2.657 6.175 1.00 0.00 O ATOM 0 H ASP A 22 -7.637 -0.481 3.684 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.183 -0.173 6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.723 -1.750 4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.271 -2.666 4.566 1.00 0.00 H new ATOM 319 N LYS A 23 -6.265 -1.723 6.284 1.00 0.00 N ATOM 320 CA LYS A 23 -5.247 -2.209 7.217 1.00 0.00 C ATOM 321 C LYS A 23 -4.651 -1.085 8.058 1.00 0.00 C ATOM 322 O LYS A 23 -4.248 -1.310 9.198 1.00 0.00 O ATOM 323 CB LYS A 23 -4.129 -2.940 6.468 1.00 0.00 C ATOM 324 CG LYS A 23 -4.513 -4.335 6.007 1.00 0.00 C ATOM 325 CD LYS A 23 -4.761 -5.266 7.186 1.00 0.00 C ATOM 326 CE LYS A 23 -3.523 -5.411 8.061 1.00 0.00 C ATOM 327 NZ LYS A 23 -3.775 -6.254 9.259 1.00 0.00 N ATOM 0 H LYS A 23 -6.015 -1.826 5.301 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.747 -2.904 7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.837 -2.348 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.255 -3.009 7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.410 -4.281 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.720 -4.743 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.587 -4.882 7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.063 -6.246 6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.715 -5.849 7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.187 -4.424 8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.904 -6.324 9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.527 -5.824 9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.070 -7.205 8.959 1.00 0.00 H new ATOM 341 N VAL A 24 -4.593 0.120 7.501 1.00 0.00 N ATOM 342 CA VAL A 24 -4.056 1.265 8.233 1.00 0.00 C ATOM 343 C VAL A 24 -5.126 1.896 9.126 1.00 0.00 C ATOM 344 O VAL A 24 -4.920 2.964 9.704 1.00 0.00 O ATOM 345 CB VAL A 24 -3.467 2.340 7.290 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.331 1.761 6.459 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.539 2.929 6.387 1.00 0.00 C ATOM 0 H VAL A 24 -4.908 0.330 6.554 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.246 0.883 8.855 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.070 3.144 7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.930 2.533 5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.542 1.402 7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.705 0.932 5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.093 3.681 5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.978 2.138 5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.315 3.391 6.997 1.00 0.00 H new ATOM 357 N GLY A 25 -6.271 1.228 9.222 1.00 0.00 N ATOM 358 CA GLY A 25 -7.326 1.672 10.113 1.00 0.00 C ATOM 359 C GLY A 25 -8.043 2.907 9.610 1.00 0.00 C ATOM 360 O GLY A 25 -8.673 3.625 10.386 1.00 0.00 O ATOM 0 H GLY A 25 -6.487 0.382 8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.049 0.866 10.242 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.901 1.880 11.095 1.00 0.00 H new ATOM 364 N GLY A 26 -7.962 3.148 8.309 1.00 0.00 N ATOM 365 CA GLY A 26 -8.572 4.330 7.737 1.00 0.00 C ATOM 366 C GLY A 26 -7.879 5.598 8.179 1.00 0.00 C ATOM 367 O GLY A 26 -8.517 6.533 8.666 1.00 0.00 O ATOM 0 H GLY A 26 -7.484 2.545 7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.543 4.262 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.622 4.372 8.026 1.00 0.00 H new ATOM 371 N GLU A 27 -6.573 5.625 8.022 1.00 0.00 N ATOM 372 CA GLU A 27 -5.783 6.770 8.440 1.00 0.00 C ATOM 373 C GLU A 27 -5.358 7.620 7.248 1.00 0.00 C ATOM 374 O GLU A 27 -5.955 8.658 6.972 1.00 0.00 O ATOM 375 CB GLU A 27 -4.555 6.315 9.238 1.00 0.00 C ATOM 376 CG GLU A 27 -3.670 7.459 9.717 1.00 0.00 C ATOM 377 CD GLU A 27 -4.443 8.516 10.473 1.00 0.00 C ATOM 378 OE1 GLU A 27 -4.747 8.296 11.659 1.00 0.00 O ATOM 379 OE2 GLU A 27 -4.755 9.572 9.879 1.00 0.00 O ATOM 0 H GLU A 27 -6.032 4.866 7.607 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.410 7.387 9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.888 5.740 10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.960 5.643 8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.884 7.061 10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.179 7.918 8.859 1.00 0.00 H new ATOM 386 N ILE A 28 -4.346 7.166 6.528 1.00 0.00 N ATOM 387 CA ILE A 28 -3.729 8.003 5.513 1.00 0.00 C ATOM 388 C ILE A 28 -4.345 7.782 4.132 1.00 0.00 C ATOM 389 O ILE A 28 -4.631 6.655 3.740 1.00 0.00 O ATOM 390 CB ILE A 28 -2.184 7.800 5.435 1.00 0.00 C ATOM 391 CG1 ILE A 28 -1.783 6.685 4.447 1.00 0.00 C ATOM 392 CG2 ILE A 28 -1.609 7.514 6.815 1.00 0.00 C ATOM 393 CD1 ILE A 28 -2.055 5.273 4.917 1.00 0.00 C ATOM 0 H ILE A 28 -3.939 6.236 6.625 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.925 9.030 5.821 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.763 8.732 5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.314 6.846 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.719 6.779 4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.531 7.376 6.738 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.821 8.352 7.478 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.063 6.609 7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.737 4.567 4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.502 5.083 5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.122 5.151 5.103 1.00 0.00 H new ATOM 405 N GLY A 29 -4.587 8.880 3.427 1.00 0.00 N ATOM 406 CA GLY A 29 -4.884 8.814 2.009 1.00 0.00 C ATOM 407 C GLY A 29 -6.298 8.386 1.674 1.00 0.00 C ATOM 408 O GLY A 29 -6.507 7.335 1.076 1.00 0.00 O ATOM 0 H GLY A 29 -4.583 9.823 3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.702 9.794 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.188 8.119 1.539 1.00 0.00 H new ATOM 412 N SER A 30 -7.272 9.204 2.029 1.00 0.00 N ATOM 413 CA SER A 30 -8.641 8.971 1.587 1.00 0.00 C ATOM 414 C SER A 30 -8.828 9.486 0.164 1.00 0.00 C ATOM 415 O SER A 30 -9.828 9.204 -0.494 1.00 0.00 O ATOM 416 CB SER A 30 -9.627 9.660 2.526 1.00 0.00 C ATOM 417 OG SER A 30 -9.164 10.957 2.880 1.00 0.00 O ATOM 0 H SER A 30 -7.146 10.029 2.616 1.00 0.00 H new ATOM 0 HA SER A 30 -8.834 7.898 1.603 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.602 9.736 2.045 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.761 9.059 3.425 1.00 0.00 H new ATOM 0 HG SER A 30 -9.811 11.383 3.481 1.00 0.00 H new ATOM 423 N THR A 31 -7.851 10.253 -0.300 1.00 0.00 N ATOM 424 CA THR A 31 -7.920 10.881 -1.605 1.00 0.00 C ATOM 425 C THR A 31 -6.581 10.744 -2.339 1.00 0.00 C ATOM 426 O THR A 31 -6.203 11.608 -3.131 1.00 0.00 O ATOM 427 CB THR A 31 -8.279 12.375 -1.447 1.00 0.00 C ATOM 428 OG1 THR A 31 -9.195 12.539 -0.357 1.00 0.00 O ATOM 429 CG2 THR A 31 -8.917 12.920 -2.716 1.00 0.00 C ATOM 0 H THR A 31 -6.995 10.454 0.217 1.00 0.00 H new ATOM 0 HA THR A 31 -8.692 10.383 -2.192 1.00 0.00 H new ATOM 0 HB THR A 31 -7.359 12.926 -1.251 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.420 13.488 -0.258 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.160 13.974 -2.578 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.220 12.814 -3.548 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.828 12.363 -2.933 1.00 0.00 H new ATOM 437 N TRP A 32 -5.869 9.641 -2.095 1.00 0.00 N ATOM 438 CA TRP A 32 -4.552 9.443 -2.702 1.00 0.00 C ATOM 439 C TRP A 32 -4.665 8.992 -4.165 1.00 0.00 C ATOM 440 O TRP A 32 -3.672 8.960 -4.897 1.00 0.00 O ATOM 441 CB TRP A 32 -3.708 8.445 -1.886 1.00 0.00 C ATOM 442 CG TRP A 32 -4.319 7.086 -1.779 1.00 0.00 C ATOM 443 CD1 TRP A 32 -5.089 6.480 -2.709 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.201 6.162 -0.696 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.478 5.254 -2.285 1.00 0.00 N ATOM 446 CE2 TRP A 32 -4.948 5.023 -1.048 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.542 6.182 0.530 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -5.061 3.917 -0.218 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.654 5.079 1.360 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.408 3.961 0.981 1.00 0.00 C ATOM 0 H TRP A 32 -6.178 8.881 -1.489 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.043 10.407 -2.692 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.723 8.356 -2.345 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.557 8.845 -0.884 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.358 6.914 -3.661 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.071 4.608 -2.806 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.956 7.039 0.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.643 3.055 -0.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.151 5.081 2.316 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.474 3.116 1.651 1.00 0.00 H new ATOM 461 N GLY A 33 -5.874 8.641 -4.584 1.00 0.00 N ATOM 462 CA GLY A 33 -6.073 8.148 -5.930 1.00 0.00 C ATOM 463 C GLY A 33 -5.738 6.679 -6.050 1.00 0.00 C ATOM 464 O GLY A 33 -6.343 5.836 -5.387 1.00 0.00 O ATOM 0 H GLY A 33 -6.719 8.689 -4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.110 8.309 -6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.453 8.719 -6.621 1.00 0.00 H new ATOM 468 N ASN A 34 -4.771 6.375 -6.899 1.00 0.00 N ATOM 469 CA ASN A 34 -4.257 5.022 -7.010 1.00 0.00 C ATOM 470 C ASN A 34 -2.738 5.014 -6.882 1.00 0.00 C ATOM 471 O ASN A 34 -2.123 6.059 -6.691 1.00 0.00 O ATOM 472 CB ASN A 34 -4.711 4.338 -8.310 1.00 0.00 C ATOM 473 CG ASN A 34 -4.489 5.157 -9.578 1.00 0.00 C ATOM 474 OD1 ASN A 34 -5.226 5.003 -10.552 1.00 0.00 O ATOM 475 ND2 ASN A 34 -3.484 6.021 -9.591 1.00 0.00 N ATOM 0 H ASN A 34 -4.326 7.049 -7.522 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.674 4.443 -6.186 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.181 3.391 -8.409 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.772 4.102 -8.228 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.304 6.581 -10.424 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.891 6.126 -8.768 1.00 0.00 H new ATOM 482 N ALA A 35 -2.149 3.839 -7.034 1.00 0.00 N ATOM 483 CA ALA A 35 -0.760 3.590 -6.656 1.00 0.00 C ATOM 484 C ALA A 35 0.255 4.536 -7.305 1.00 0.00 C ATOM 485 O ALA A 35 1.127 5.069 -6.620 1.00 0.00 O ATOM 486 CB ALA A 35 -0.411 2.155 -6.970 1.00 0.00 C ATOM 0 H ALA A 35 -2.621 3.024 -7.425 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.691 3.785 -5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.625 1.963 -6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.068 1.490 -6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.538 1.975 -8.038 1.00 0.00 H new ATOM 492 N ASN A 36 0.162 4.741 -8.611 1.00 0.00 N ATOM 493 CA ASN A 36 1.139 5.578 -9.315 1.00 0.00 C ATOM 494 C ASN A 36 0.957 7.057 -8.984 1.00 0.00 C ATOM 495 O ASN A 36 1.809 7.885 -9.296 1.00 0.00 O ATOM 496 CB ASN A 36 1.077 5.359 -10.834 1.00 0.00 C ATOM 497 CG ASN A 36 -0.275 5.688 -11.463 1.00 0.00 C ATOM 498 OD1 ASN A 36 -1.031 6.523 -10.967 1.00 0.00 O ATOM 499 ND2 ASN A 36 -0.577 5.042 -12.581 1.00 0.00 N ATOM 0 H ASN A 36 -0.569 4.347 -9.204 1.00 0.00 H new ATOM 0 HA ASN A 36 2.125 5.273 -8.966 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.844 5.971 -11.309 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.321 4.319 -11.049 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.459 5.231 -13.057 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.073 4.356 -12.965 1.00 0.00 H new ATOM 506 N ASN A 37 -0.153 7.374 -8.338 1.00 0.00 N ATOM 507 CA ASN A 37 -0.471 8.748 -7.973 1.00 0.00 C ATOM 508 C ASN A 37 -0.236 8.946 -6.480 1.00 0.00 C ATOM 509 O ASN A 37 -0.350 10.052 -5.957 1.00 0.00 O ATOM 510 CB ASN A 37 -1.933 9.054 -8.337 1.00 0.00 C ATOM 511 CG ASN A 37 -2.321 10.508 -8.112 1.00 0.00 C ATOM 512 OD1 ASN A 37 -2.107 11.357 -8.975 1.00 0.00 O ATOM 513 ND2 ASN A 37 -2.919 10.802 -6.965 1.00 0.00 N ATOM 0 H ASN A 37 -0.856 6.692 -8.053 1.00 0.00 H new ATOM 0 HA ASN A 37 0.175 9.433 -8.522 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.100 8.799 -9.384 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.588 8.415 -7.745 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.218 11.759 -6.776 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.080 10.071 -6.272 1.00 0.00 H new ATOM 520 N TRP A 38 0.125 7.854 -5.814 1.00 0.00 N ATOM 521 CA TRP A 38 0.253 7.828 -4.363 1.00 0.00 C ATOM 522 C TRP A 38 1.152 8.927 -3.835 1.00 0.00 C ATOM 523 O TRP A 38 0.679 9.824 -3.159 1.00 0.00 O ATOM 524 CB TRP A 38 0.786 6.485 -3.894 1.00 0.00 C ATOM 525 CG TRP A 38 -0.223 5.684 -3.162 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.503 5.410 -3.546 1.00 0.00 C ATOM 527 CD2 TRP A 38 -0.025 5.046 -1.905 1.00 0.00 C ATOM 528 NE1 TRP A 38 -2.115 4.644 -2.600 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.230 4.415 -1.568 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.059 4.954 -1.027 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.378 3.704 -0.380 1.00 0.00 C ATOM 532 CZ3 TRP A 38 0.910 4.246 0.140 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.303 3.638 0.457 1.00 0.00 C ATOM 0 H TRP A 38 0.337 6.964 -6.265 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.749 7.993 -3.967 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.135 5.918 -4.757 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.649 6.648 -3.249 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.962 5.749 -4.463 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.073 4.296 -2.648 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.998 5.432 -1.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.311 3.222 -0.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.744 4.159 0.821 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.394 3.101 1.389 1.00 0.00 H new ATOM 544 N ALA A 39 2.443 8.856 -4.149 1.00 0.00 N ATOM 545 CA ALA A 39 3.424 9.796 -3.607 1.00 0.00 C ATOM 546 C ALA A 39 3.003 11.248 -3.843 1.00 0.00 C ATOM 547 O ALA A 39 3.238 12.113 -3.003 1.00 0.00 O ATOM 548 CB ALA A 39 4.802 9.526 -4.198 1.00 0.00 C ATOM 0 H ALA A 39 2.836 8.156 -4.778 1.00 0.00 H new ATOM 0 HA ALA A 39 3.473 9.643 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.520 10.234 -3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.111 8.510 -3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.762 9.641 -5.281 1.00 0.00 H new ATOM 554 N ALA A 40 2.349 11.502 -4.970 1.00 0.00 N ATOM 555 CA ALA A 40 1.885 12.843 -5.292 1.00 0.00 C ATOM 556 C ALA A 40 0.724 13.252 -4.384 1.00 0.00 C ATOM 557 O ALA A 40 0.769 14.303 -3.744 1.00 0.00 O ATOM 558 CB ALA A 40 1.473 12.916 -6.754 1.00 0.00 C ATOM 0 H ALA A 40 2.129 10.798 -5.674 1.00 0.00 H new ATOM 0 HA ALA A 40 2.704 13.542 -5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.127 13.924 -6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.327 12.672 -7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.669 12.205 -6.941 1.00 0.00 H new ATOM 564 N ALA A 41 -0.299 12.405 -4.318 1.00 0.00 N ATOM 565 CA ALA A 41 -1.481 12.680 -3.501 1.00 0.00 C ATOM 566 C ALA A 41 -1.138 12.640 -2.018 1.00 0.00 C ATOM 567 O ALA A 41 -1.645 13.429 -1.221 1.00 0.00 O ATOM 568 CB ALA A 41 -2.583 11.675 -3.811 1.00 0.00 C ATOM 0 H ALA A 41 -0.335 11.519 -4.822 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.836 13.682 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.456 11.892 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.854 11.746 -4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.228 10.667 -3.595 1.00 0.00 H new ATOM 574 N ALA A 42 -0.266 11.711 -1.670 1.00 0.00 N ATOM 575 CA ALA A 42 0.179 11.518 -0.302 1.00 0.00 C ATOM 576 C ALA A 42 0.883 12.755 0.233 1.00 0.00 C ATOM 577 O ALA A 42 0.523 13.279 1.284 1.00 0.00 O ATOM 578 CB ALA A 42 1.115 10.333 -0.238 1.00 0.00 C ATOM 0 H ALA A 42 0.157 11.064 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.698 11.334 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.449 10.188 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.594 9.439 -0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.978 10.516 -0.878 1.00 0.00 H new ATOM 584 N GLN A 43 1.896 13.218 -0.492 1.00 0.00 N ATOM 585 CA GLN A 43 2.655 14.386 -0.066 1.00 0.00 C ATOM 586 C GLN A 43 1.785 15.637 -0.120 1.00 0.00 C ATOM 587 O GLN A 43 2.004 16.589 0.630 1.00 0.00 O ATOM 588 CB GLN A 43 3.916 14.558 -0.914 1.00 0.00 C ATOM 589 CG GLN A 43 4.922 13.433 -0.739 1.00 0.00 C ATOM 590 CD GLN A 43 6.248 13.730 -1.406 1.00 0.00 C ATOM 591 OE1 GLN A 43 6.455 13.425 -2.582 1.00 0.00 O ATOM 592 NE2 GLN A 43 7.159 14.330 -0.659 1.00 0.00 N ATOM 0 H GLN A 43 2.208 12.805 -1.371 1.00 0.00 H new ATOM 0 HA GLN A 43 2.968 14.233 0.967 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.632 14.621 -1.965 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.392 15.504 -0.655 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.085 13.259 0.324 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.509 12.513 -1.153 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.949 14.566 0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.072 14.557 -1.052 1.00 0.00 H new ATOM 601 N GLY A 44 0.776 15.612 -0.985 1.00 0.00 N ATOM 602 CA GLY A 44 -0.187 16.694 -1.035 1.00 0.00 C ATOM 603 C GLY A 44 -1.107 16.682 0.175 1.00 0.00 C ATOM 604 O GLY A 44 -1.746 17.684 0.497 1.00 0.00 O ATOM 0 H GLY A 44 0.609 14.860 -1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.339 17.648 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.781 16.611 -1.945 1.00 0.00 H new ATOM 608 N ALA A 45 -1.181 15.535 0.839 1.00 0.00 N ATOM 609 CA ALA A 45 -1.953 15.400 2.067 1.00 0.00 C ATOM 610 C ALA A 45 -1.049 15.578 3.283 1.00 0.00 C ATOM 611 O ALA A 45 -1.497 15.492 4.427 1.00 0.00 O ATOM 612 CB ALA A 45 -2.655 14.052 2.106 1.00 0.00 C ATOM 0 H ALA A 45 -0.711 14.679 0.544 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.714 16.180 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.228 13.967 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.328 13.967 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.913 13.254 2.064 1.00 0.00 H new ATOM 618 N GLY A 46 0.231 15.820 3.025 1.00 0.00 N ATOM 619 CA GLY A 46 1.162 16.105 4.099 1.00 0.00 C ATOM 620 C GLY A 46 1.957 14.895 4.549 1.00 0.00 C ATOM 621 O GLY A 46 2.609 14.936 5.594 1.00 0.00 O ATOM 0 H GLY A 46 0.640 15.824 2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.853 16.883 3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.611 16.504 4.950 1.00 0.00 H new ATOM 625 N PHE A 47 1.918 13.815 3.774 1.00 0.00 N ATOM 626 CA PHE A 47 2.668 12.613 4.131 1.00 0.00 C ATOM 627 C PHE A 47 4.128 12.771 3.724 1.00 0.00 C ATOM 628 O PHE A 47 4.441 13.432 2.731 1.00 0.00 O ATOM 629 CB PHE A 47 2.112 11.351 3.454 1.00 0.00 C ATOM 630 CG PHE A 47 0.635 11.100 3.630 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.139 11.870 4.485 1.00 0.00 C ATOM 632 CD2 PHE A 47 0.023 10.083 2.917 1.00 0.00 C ATOM 633 CE1 PHE A 47 -1.491 11.629 4.617 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.325 9.833 3.043 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.086 10.612 3.895 1.00 0.00 C ATOM 0 H PHE A 47 1.384 13.746 2.908 1.00 0.00 H new ATOM 0 HA PHE A 47 2.574 12.494 5.210 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.325 11.412 2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.655 10.488 3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.321 12.666 5.053 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.614 9.474 2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.085 12.235 5.285 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.785 9.034 2.480 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.145 10.426 3.996 1.00 0.00 H new ATOM 645 N THR A 48 5.013 12.158 4.482 1.00 0.00 N ATOM 646 CA THR A 48 6.432 12.202 4.184 1.00 0.00 C ATOM 647 C THR A 48 6.872 10.874 3.579 1.00 0.00 C ATOM 648 O THR A 48 6.557 9.808 4.118 1.00 0.00 O ATOM 649 CB THR A 48 7.247 12.480 5.460 1.00 0.00 C ATOM 650 OG1 THR A 48 6.652 13.563 6.185 1.00 0.00 O ATOM 651 CG2 THR A 48 8.690 12.829 5.126 1.00 0.00 C ATOM 0 H THR A 48 4.774 11.620 5.315 1.00 0.00 H new ATOM 0 HA THR A 48 6.611 13.008 3.472 1.00 0.00 H new ATOM 0 HB THR A 48 7.243 11.576 6.069 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.171 13.737 6.998 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.241 13.020 6.047 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.151 11.998 4.593 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.713 13.720 4.498 1.00 0.00 H new ATOM 659 N VAL A 49 7.576 10.928 2.455 1.00 0.00 N ATOM 660 CA VAL A 49 8.044 9.714 1.811 1.00 0.00 C ATOM 661 C VAL A 49 9.567 9.606 1.927 1.00 0.00 C ATOM 662 O VAL A 49 10.303 10.534 1.594 1.00 0.00 O ATOM 663 CB VAL A 49 7.584 9.615 0.327 1.00 0.00 C ATOM 664 CG1 VAL A 49 6.119 10.001 0.190 1.00 0.00 C ATOM 665 CG2 VAL A 49 8.439 10.454 -0.605 1.00 0.00 C ATOM 0 H VAL A 49 7.832 11.792 1.977 1.00 0.00 H new ATOM 0 HA VAL A 49 7.591 8.870 2.332 1.00 0.00 H new ATOM 0 HB VAL A 49 7.709 8.574 0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.819 9.925 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.508 9.329 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.979 11.026 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.075 10.348 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.383 11.501 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.474 10.116 -0.552 1.00 0.00 H new ATOM 675 N ASN A 50 10.030 8.485 2.460 1.00 0.00 N ATOM 676 CA ASN A 50 11.462 8.263 2.664 1.00 0.00 C ATOM 677 C ASN A 50 11.882 6.977 1.976 1.00 0.00 C ATOM 678 O ASN A 50 13.024 6.537 2.092 1.00 0.00 O ATOM 679 CB ASN A 50 11.777 8.153 4.158 1.00 0.00 C ATOM 680 CG ASN A 50 11.215 9.299 4.973 1.00 0.00 C ATOM 681 OD1 ASN A 50 11.158 10.442 4.519 1.00 0.00 O ATOM 682 ND2 ASN A 50 10.781 8.994 6.181 1.00 0.00 N ATOM 0 H ASN A 50 9.437 7.711 2.761 1.00 0.00 H new ATOM 0 HA ASN A 50 12.008 9.107 2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.376 7.214 4.539 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.858 8.116 4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.380 9.718 6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.847 8.034 6.519 1.00 0.00 H new ATOM 689 N HIS A 51 10.928 6.411 1.240 1.00 0.00 N ATOM 690 CA HIS A 51 11.042 5.090 0.619 1.00 0.00 C ATOM 691 C HIS A 51 11.764 4.073 1.511 1.00 0.00 C ATOM 692 O HIS A 51 12.924 3.733 1.294 1.00 0.00 O ATOM 693 CB HIS A 51 11.670 5.162 -0.796 1.00 0.00 C ATOM 694 CG HIS A 51 13.059 5.742 -0.882 1.00 0.00 C ATOM 695 ND1 HIS A 51 13.301 7.090 -1.024 1.00 0.00 N ATOM 696 CD2 HIS A 51 14.279 5.146 -0.880 1.00 0.00 C ATOM 697 CE1 HIS A 51 14.599 7.299 -1.106 1.00 0.00 C ATOM 698 NE2 HIS A 51 15.215 6.138 -1.021 1.00 0.00 N ATOM 0 H HIS A 51 10.034 6.866 1.054 1.00 0.00 H new ATOM 0 HA HIS A 51 10.022 4.725 0.500 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.694 4.155 -1.211 1.00 0.00 H new ATOM 0 HB3 HIS A 51 11.012 5.754 -1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 51 14.475 4.088 -0.785 1.00 0.00 H new ATOM 0 HE1 HIS A 51 15.077 8.260 -1.223 1.00 0.00 H new ATOM 0 HE2 HIS A 51 16.225 5.999 -1.055 1.00 0.00 H new ATOM 707 N THR A 52 11.063 3.608 2.529 1.00 0.00 N ATOM 708 CA THR A 52 11.603 2.646 3.476 1.00 0.00 C ATOM 709 C THR A 52 10.455 1.925 4.178 1.00 0.00 C ATOM 710 O THR A 52 9.903 2.439 5.147 1.00 0.00 O ATOM 711 CB THR A 52 12.503 3.335 4.534 1.00 0.00 C ATOM 712 OG1 THR A 52 13.549 4.080 3.889 1.00 0.00 O ATOM 713 CG2 THR A 52 13.123 2.311 5.475 1.00 0.00 C ATOM 0 H THR A 52 10.101 3.886 2.724 1.00 0.00 H new ATOM 0 HA THR A 52 12.214 1.933 2.923 1.00 0.00 H new ATOM 0 HB THR A 52 11.876 4.012 5.114 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.668 3.752 2.973 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.749 2.822 6.207 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.333 1.766 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 52 13.732 1.612 4.902 1.00 0.00 H new ATOM 721 N PRO A 53 10.046 0.750 3.668 1.00 0.00 N ATOM 722 CA PRO A 53 8.922 -0.011 4.232 1.00 0.00 C ATOM 723 C PRO A 53 9.111 -0.347 5.712 1.00 0.00 C ATOM 724 O PRO A 53 10.235 -0.473 6.198 1.00 0.00 O ATOM 725 CB PRO A 53 8.888 -1.293 3.391 1.00 0.00 C ATOM 726 CG PRO A 53 10.223 -1.361 2.733 1.00 0.00 C ATOM 727 CD PRO A 53 10.632 0.061 2.506 1.00 0.00 C ATOM 0 HA PRO A 53 7.997 0.564 4.194 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.711 -2.169 4.015 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.086 -1.259 2.653 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.945 -1.881 3.363 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.169 -1.908 1.792 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.716 0.171 2.473 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.243 0.450 1.565 1.00 0.00 H new ATOM 735 N SER A 54 7.998 -0.504 6.415 1.00 0.00 N ATOM 736 CA SER A 54 8.006 -0.748 7.852 1.00 0.00 C ATOM 737 C SER A 54 6.696 -1.413 8.248 1.00 0.00 C ATOM 738 O SER A 54 5.712 -1.316 7.515 1.00 0.00 O ATOM 739 CB SER A 54 8.178 0.567 8.626 1.00 0.00 C ATOM 740 OG SER A 54 9.383 1.228 8.275 1.00 0.00 O ATOM 0 H SER A 54 7.064 -0.466 6.006 1.00 0.00 H new ATOM 0 HA SER A 54 8.844 -1.400 8.098 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.331 1.222 8.423 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.174 0.363 9.697 1.00 0.00 H new ATOM 0 HG SER A 54 9.459 2.061 8.785 1.00 0.00 H new ATOM 746 N LYS A 55 6.681 -2.069 9.397 1.00 0.00 N ATOM 747 CA LYS A 55 5.499 -2.788 9.851 1.00 0.00 C ATOM 748 C LYS A 55 4.361 -1.812 10.144 1.00 0.00 C ATOM 749 O LYS A 55 4.388 -1.093 11.145 1.00 0.00 O ATOM 750 CB LYS A 55 5.841 -3.613 11.098 1.00 0.00 C ATOM 751 CG LYS A 55 4.703 -4.487 11.598 1.00 0.00 C ATOM 752 CD LYS A 55 5.162 -5.420 12.710 1.00 0.00 C ATOM 753 CE LYS A 55 5.587 -4.655 13.953 1.00 0.00 C ATOM 754 NZ LYS A 55 4.443 -3.957 14.598 1.00 0.00 N ATOM 0 H LYS A 55 7.476 -2.119 10.035 1.00 0.00 H new ATOM 0 HA LYS A 55 5.169 -3.465 9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.700 -4.246 10.877 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.142 -2.935 11.897 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.892 -3.857 11.962 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.303 -5.074 10.771 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.354 -6.106 12.965 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.995 -6.026 12.354 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.039 -5.345 14.666 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.352 -3.926 13.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.738 -3.591 15.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.135 -3.167 13.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.655 -4.624 14.723 1.00 0.00 H new ATOM 768 N GLY A 56 3.376 -1.771 9.255 1.00 0.00 N ATOM 769 CA GLY A 56 2.273 -0.843 9.412 1.00 0.00 C ATOM 770 C GLY A 56 2.294 0.252 8.364 1.00 0.00 C ATOM 771 O GLY A 56 1.390 1.083 8.306 1.00 0.00 O ATOM 0 H GLY A 56 3.322 -2.365 8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.331 -1.387 9.348 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.316 -0.395 10.405 1.00 0.00 H new ATOM 775 N ALA A 57 3.334 0.258 7.537 1.00 0.00 N ATOM 776 CA ALA A 57 3.442 1.228 6.454 1.00 0.00 C ATOM 777 C ALA A 57 2.957 0.614 5.149 1.00 0.00 C ATOM 778 O ALA A 57 2.362 -0.462 5.147 1.00 0.00 O ATOM 779 CB ALA A 57 4.873 1.719 6.308 1.00 0.00 C ATOM 0 H ALA A 57 4.113 -0.397 7.596 1.00 0.00 H new ATOM 0 HA ALA A 57 2.812 2.084 6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.928 2.442 5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.191 2.193 7.236 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.527 0.875 6.089 1.00 0.00 H new ATOM 785 N ILE A 58 3.204 1.292 4.037 1.00 0.00 N ATOM 786 CA ILE A 58 2.765 0.793 2.743 1.00 0.00 C ATOM 787 C ILE A 58 3.888 0.897 1.716 1.00 0.00 C ATOM 788 O ILE A 58 4.701 1.812 1.769 1.00 0.00 O ATOM 789 CB ILE A 58 1.527 1.546 2.202 1.00 0.00 C ATOM 790 CG1 ILE A 58 0.449 1.732 3.281 1.00 0.00 C ATOM 791 CG2 ILE A 58 0.943 0.795 1.014 1.00 0.00 C ATOM 792 CD1 ILE A 58 0.656 2.949 4.163 1.00 0.00 C ATOM 0 H ILE A 58 3.702 2.182 4.005 1.00 0.00 H new ATOM 0 HA ILE A 58 2.489 -0.250 2.898 1.00 0.00 H new ATOM 0 HB ILE A 58 1.856 2.537 1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.524 1.809 2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.422 0.842 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.071 1.331 0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.692 0.722 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.647 -0.206 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.148 3.007 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.613 2.866 4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.651 3.849 3.548 1.00 0.00 H new ATOM 804 N LEU A 59 3.916 -0.055 0.801 1.00 0.00 N ATOM 805 CA LEU A 59 4.926 -0.128 -0.242 1.00 0.00 C ATOM 806 C LEU A 59 4.355 0.450 -1.549 1.00 0.00 C ATOM 807 O LEU A 59 3.285 0.033 -1.987 1.00 0.00 O ATOM 808 CB LEU A 59 5.327 -1.610 -0.394 1.00 0.00 C ATOM 809 CG LEU A 59 6.577 -1.909 -1.217 1.00 0.00 C ATOM 810 CD1 LEU A 59 6.302 -1.713 -2.697 1.00 0.00 C ATOM 811 CD2 LEU A 59 7.730 -1.047 -0.735 1.00 0.00 C ATOM 0 H LEU A 59 3.230 -0.809 0.760 1.00 0.00 H new ATOM 0 HA LEU A 59 5.810 0.458 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.471 -2.026 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.490 -2.143 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 59 6.858 -2.953 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.205 -1.931 -3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.504 -2.386 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.999 -0.682 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.619 -1.265 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.469 0.005 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.931 -1.262 0.315 1.00 0.00 H new ATOM 823 N GLN A 60 5.064 1.400 -2.170 1.00 0.00 N ATOM 824 CA GLN A 60 4.528 2.116 -3.337 1.00 0.00 C ATOM 825 C GLN A 60 5.509 2.159 -4.510 1.00 0.00 C ATOM 826 O GLN A 60 6.704 2.369 -4.335 1.00 0.00 O ATOM 827 CB GLN A 60 4.134 3.541 -2.923 1.00 0.00 C ATOM 828 CG GLN A 60 3.457 4.367 -4.013 1.00 0.00 C ATOM 829 CD GLN A 60 4.429 5.119 -4.907 1.00 0.00 C ATOM 830 OE1 GLN A 60 5.526 5.484 -4.489 1.00 0.00 O ATOM 831 NE2 GLN A 60 4.020 5.374 -6.141 1.00 0.00 N ATOM 0 H GLN A 60 6.001 1.690 -1.889 1.00 0.00 H new ATOM 0 HA GLN A 60 3.652 1.567 -3.684 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.464 3.482 -2.065 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.029 4.068 -2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.847 3.707 -4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.780 5.082 -3.546 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.102 5.054 -6.450 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.623 5.890 -6.782 1.00 0.00 H new ATOM 840 N SER A 61 4.967 1.974 -5.709 1.00 0.00 N ATOM 841 CA SER A 61 5.726 2.066 -6.945 1.00 0.00 C ATOM 842 C SER A 61 4.942 2.887 -7.964 1.00 0.00 C ATOM 843 O SER A 61 3.706 2.879 -7.953 1.00 0.00 O ATOM 844 CB SER A 61 5.995 0.671 -7.500 1.00 0.00 C ATOM 845 OG SER A 61 6.769 0.712 -8.685 1.00 0.00 O ATOM 0 H SER A 61 3.981 1.754 -5.848 1.00 0.00 H new ATOM 0 HA SER A 61 6.680 2.554 -6.744 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.514 0.076 -6.749 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.047 0.173 -7.703 1.00 0.00 H new ATOM 0 HG SER A 61 6.921 -0.201 -9.008 1.00 0.00 H new ATOM 851 N SER A 62 5.654 3.589 -8.834 1.00 0.00 N ATOM 852 CA SER A 62 5.020 4.444 -9.827 1.00 0.00 C ATOM 853 C SER A 62 4.730 3.676 -11.115 1.00 0.00 C ATOM 854 O SER A 62 3.845 4.050 -11.888 1.00 0.00 O ATOM 855 CB SER A 62 5.914 5.651 -10.120 1.00 0.00 C ATOM 856 OG SER A 62 6.239 6.342 -8.924 1.00 0.00 O ATOM 0 H SER A 62 6.673 3.583 -8.872 1.00 0.00 H new ATOM 0 HA SER A 62 4.069 4.790 -9.423 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.828 5.321 -10.614 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.406 6.326 -10.808 1.00 0.00 H new ATOM 0 HG SER A 62 6.812 7.108 -9.134 1.00 0.00 H new ATOM 862 N GLU A 63 5.461 2.592 -11.341 1.00 0.00 N ATOM 863 CA GLU A 63 5.273 1.803 -12.549 1.00 0.00 C ATOM 864 C GLU A 63 4.190 0.754 -12.340 1.00 0.00 C ATOM 865 O GLU A 63 3.804 0.467 -11.209 1.00 0.00 O ATOM 866 CB GLU A 63 6.579 1.136 -12.985 1.00 0.00 C ATOM 867 CG GLU A 63 7.130 0.134 -11.987 1.00 0.00 C ATOM 868 CD GLU A 63 8.314 -0.625 -12.540 1.00 0.00 C ATOM 869 OE1 GLU A 63 8.128 -1.400 -13.502 1.00 0.00 O ATOM 870 OE2 GLU A 63 9.435 -0.454 -12.020 1.00 0.00 O ATOM 0 H GLU A 63 6.182 2.243 -10.710 1.00 0.00 H new ATOM 0 HA GLU A 63 4.958 2.481 -13.342 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.416 0.631 -13.937 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.328 1.909 -13.158 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.427 0.655 -11.077 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.346 -0.570 -11.710 1.00 0.00 H new ATOM 877 N GLY A 64 3.709 0.187 -13.434 1.00 0.00 N ATOM 878 CA GLY A 64 2.633 -0.778 -13.361 1.00 0.00 C ATOM 879 C GLY A 64 1.372 -0.255 -14.019 1.00 0.00 C ATOM 880 O GLY A 64 1.326 0.912 -14.412 1.00 0.00 O ATOM 0 H GLY A 64 4.047 0.379 -14.377 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.940 -1.704 -13.846 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.428 -1.017 -12.318 1.00 0.00 H new ATOM 884 N PRO A 65 0.326 -1.089 -14.140 1.00 0.00 N ATOM 885 CA PRO A 65 -0.939 -0.694 -14.778 1.00 0.00 C ATOM 886 C PRO A 65 -1.643 0.422 -14.009 1.00 0.00 C ATOM 887 O PRO A 65 -2.387 1.220 -14.579 1.00 0.00 O ATOM 888 CB PRO A 65 -1.776 -1.978 -14.749 1.00 0.00 C ATOM 889 CG PRO A 65 -1.175 -2.805 -13.665 1.00 0.00 C ATOM 890 CD PRO A 65 0.291 -2.483 -13.668 1.00 0.00 C ATOM 0 HA PRO A 65 -0.785 -0.300 -15.782 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.825 -1.761 -14.545 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.738 -2.496 -15.708 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.625 -2.571 -12.700 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.342 -3.867 -13.845 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.728 -2.583 -12.674 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.848 -3.147 -14.329 1.00 0.00 H new ATOM 898 N PHE A 66 -1.402 0.458 -12.708 1.00 0.00 N ATOM 899 CA PHE A 66 -1.967 1.482 -11.843 1.00 0.00 C ATOM 900 C PHE A 66 -0.916 1.939 -10.840 1.00 0.00 C ATOM 901 O PHE A 66 -1.168 2.811 -10.006 1.00 0.00 O ATOM 902 CB PHE A 66 -3.185 0.931 -11.094 1.00 0.00 C ATOM 903 CG PHE A 66 -2.828 -0.116 -10.079 1.00 0.00 C ATOM 904 CD1 PHE A 66 -2.553 -1.413 -10.470 1.00 0.00 C ATOM 905 CD2 PHE A 66 -2.757 0.205 -8.735 1.00 0.00 C ATOM 906 CE1 PHE A 66 -2.213 -2.375 -9.541 1.00 0.00 C ATOM 907 CE2 PHE A 66 -2.418 -0.753 -7.799 1.00 0.00 C ATOM 908 CZ PHE A 66 -2.146 -2.045 -8.203 1.00 0.00 C ATOM 0 H PHE A 66 -0.812 -0.218 -12.223 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.281 2.327 -12.455 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.699 1.752 -10.595 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.885 0.507 -11.814 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.605 -1.677 -11.516 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.969 1.214 -8.414 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.000 -3.384 -9.861 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.366 -0.492 -6.752 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.881 -2.796 -7.473 1.00 0.00 H new ATOM 918 N GLY A 67 0.263 1.338 -10.938 1.00 0.00 N ATOM 919 CA GLY A 67 1.289 1.522 -9.936 1.00 0.00 C ATOM 920 C GLY A 67 1.413 0.290 -9.061 1.00 0.00 C ATOM 921 O GLY A 67 0.947 -0.784 -9.438 1.00 0.00 O ATOM 0 H GLY A 67 0.527 0.719 -11.705 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.244 1.728 -10.420 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.051 2.389 -9.320 1.00 0.00 H new ATOM 925 N HIS A 68 2.014 0.436 -7.889 1.00 0.00 N ATOM 926 CA HIS A 68 2.148 -0.686 -6.964 1.00 0.00 C ATOM 927 C HIS A 68 2.013 -0.210 -5.524 1.00 0.00 C ATOM 928 O HIS A 68 2.980 0.281 -4.964 1.00 0.00 O ATOM 929 CB HIS A 68 3.521 -1.365 -7.142 1.00 0.00 C ATOM 930 CG HIS A 68 3.700 -2.642 -6.364 1.00 0.00 C ATOM 931 ND1 HIS A 68 4.749 -3.510 -6.583 1.00 0.00 N ATOM 932 CD2 HIS A 68 2.969 -3.191 -5.362 1.00 0.00 C ATOM 933 CE1 HIS A 68 4.654 -4.530 -5.751 1.00 0.00 C ATOM 934 NE2 HIS A 68 3.583 -4.364 -4.999 1.00 0.00 N ATOM 0 H HIS A 68 2.415 1.313 -7.555 1.00 0.00 H new ATOM 0 HA HIS A 68 1.355 -1.401 -7.184 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.671 -1.577 -8.201 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.299 -0.662 -6.844 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.069 -2.781 -4.929 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.340 -5.363 -5.695 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.264 -5.001 -4.269 1.00 0.00 H new ATOM 943 N VAL A 69 0.832 -0.323 -4.924 1.00 0.00 N ATOM 944 CA VAL A 69 0.732 -0.102 -3.498 1.00 0.00 C ATOM 945 C VAL A 69 0.302 -1.365 -2.780 1.00 0.00 C ATOM 946 O VAL A 69 -0.767 -1.922 -3.027 1.00 0.00 O ATOM 947 CB VAL A 69 -0.200 1.062 -3.145 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.397 2.352 -3.660 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.597 0.855 -3.709 1.00 0.00 C ATOM 0 H VAL A 69 -0.043 -0.560 -5.393 1.00 0.00 H new ATOM 0 HA VAL A 69 1.730 0.173 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.297 1.111 -2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.263 3.183 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.372 2.512 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.513 2.293 -4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.228 1.701 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.543 0.776 -4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.023 -0.061 -3.300 1.00 0.00 H new ATOM 959 N ALA A 70 1.182 -1.823 -1.920 1.00 0.00 N ATOM 960 CA ALA A 70 0.940 -2.996 -1.117 1.00 0.00 C ATOM 961 C ALA A 70 1.236 -2.675 0.326 1.00 0.00 C ATOM 962 O ALA A 70 2.305 -2.160 0.644 1.00 0.00 O ATOM 963 CB ALA A 70 1.803 -4.150 -1.585 1.00 0.00 C ATOM 0 H ALA A 70 2.091 -1.389 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.104 -3.292 -1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.606 -5.026 -0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.570 -4.380 -2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.855 -3.876 -1.501 1.00 0.00 H new ATOM 969 N TYR A 71 0.302 -2.969 1.196 1.00 0.00 N ATOM 970 CA TYR A 71 0.457 -2.637 2.594 1.00 0.00 C ATOM 971 C TYR A 71 1.523 -3.524 3.234 1.00 0.00 C ATOM 972 O TYR A 71 1.541 -4.739 3.036 1.00 0.00 O ATOM 973 CB TYR A 71 -0.893 -2.766 3.306 1.00 0.00 C ATOM 974 CG TYR A 71 -0.785 -2.856 4.805 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.752 -1.716 5.595 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.707 -4.090 5.426 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.646 -1.806 6.970 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.601 -4.188 6.798 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.570 -3.045 7.566 1.00 0.00 C ATOM 980 OH TYR A 71 -0.470 -3.144 8.937 1.00 0.00 O ATOM 0 H TYR A 71 -0.574 -3.437 0.963 1.00 0.00 H new ATOM 0 HA TYR A 71 0.792 -1.604 2.690 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.513 -1.908 3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.406 -3.653 2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.810 -0.744 5.128 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.729 -4.989 4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.623 -0.910 7.573 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.542 -5.158 7.269 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.427 -4.089 9.195 1.00 0.00 H new ATOM 990 N VAL A 72 2.413 -2.902 3.992 1.00 0.00 N ATOM 991 CA VAL A 72 3.531 -3.601 4.599 1.00 0.00 C ATOM 992 C VAL A 72 3.117 -4.197 5.933 1.00 0.00 C ATOM 993 O VAL A 72 2.862 -3.471 6.898 1.00 0.00 O ATOM 994 CB VAL A 72 4.733 -2.664 4.829 1.00 0.00 C ATOM 995 CG1 VAL A 72 5.945 -3.455 5.290 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.054 -1.866 3.576 1.00 0.00 C ATOM 0 H VAL A 72 2.380 -1.904 4.202 1.00 0.00 H new ATOM 0 HA VAL A 72 3.829 -4.390 3.909 1.00 0.00 H new ATOM 0 HB VAL A 72 4.464 -1.957 5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.784 -2.777 5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.712 -3.967 6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.210 -4.190 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.906 -1.214 3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.296 -2.549 2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.190 -1.262 3.298 1.00 0.00 H new ATOM 1006 N GLU A 73 3.058 -5.517 5.983 1.00 0.00 N ATOM 1007 CA GLU A 73 2.646 -6.212 7.189 1.00 0.00 C ATOM 1008 C GLU A 73 3.784 -6.261 8.200 1.00 0.00 C ATOM 1009 O GLU A 73 3.545 -6.249 9.408 1.00 0.00 O ATOM 1010 CB GLU A 73 2.175 -7.631 6.856 1.00 0.00 C ATOM 1011 CG GLU A 73 0.857 -7.685 6.094 1.00 0.00 C ATOM 1012 CD GLU A 73 -0.348 -7.359 6.958 1.00 0.00 C ATOM 1013 OE1 GLU A 73 -0.177 -7.163 8.181 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -1.476 -7.303 6.417 1.00 0.00 O ATOM 0 H GLU A 73 3.291 -6.129 5.201 1.00 0.00 H new ATOM 0 HA GLU A 73 1.815 -5.661 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.944 -8.129 6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.070 -8.195 7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.898 -6.984 5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.732 -8.680 5.668 1.00 0.00 H new ATOM 1021 N SER A 74 5.018 -6.290 7.696 1.00 0.00 N ATOM 1022 CA SER A 74 6.200 -6.404 8.543 1.00 0.00 C ATOM 1023 C SER A 74 7.468 -6.442 7.697 1.00 0.00 C ATOM 1024 O SER A 74 7.451 -6.920 6.565 1.00 0.00 O ATOM 1025 CB SER A 74 6.114 -7.670 9.410 1.00 0.00 C ATOM 1026 OG SER A 74 5.757 -8.804 8.631 1.00 0.00 O ATOM 0 H SER A 74 5.223 -6.236 6.698 1.00 0.00 H new ATOM 0 HA SER A 74 6.239 -5.529 9.192 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.074 -7.847 9.896 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.379 -7.523 10.201 1.00 0.00 H new ATOM 0 HG SER A 74 5.711 -9.595 9.207 1.00 0.00 H new ATOM 1032 N VAL A 75 8.557 -5.916 8.234 1.00 0.00 N ATOM 1033 CA VAL A 75 9.853 -6.040 7.585 1.00 0.00 C ATOM 1034 C VAL A 75 10.706 -7.043 8.357 1.00 0.00 C ATOM 1035 O VAL A 75 10.809 -6.974 9.586 1.00 0.00 O ATOM 1036 CB VAL A 75 10.585 -4.678 7.450 1.00 0.00 C ATOM 1037 CG1 VAL A 75 10.827 -4.033 8.808 1.00 0.00 C ATOM 1038 CG2 VAL A 75 11.895 -4.842 6.689 1.00 0.00 C ATOM 0 H VAL A 75 8.570 -5.401 9.114 1.00 0.00 H new ATOM 0 HA VAL A 75 9.689 -6.399 6.569 1.00 0.00 H new ATOM 0 HB VAL A 75 9.936 -4.012 6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.341 -3.082 8.672 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.872 -3.862 9.305 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.441 -4.693 9.420 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.391 -3.875 6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.542 -5.537 7.224 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.690 -5.231 5.692 1.00 0.00 H new ATOM 1048 N ASN A 76 11.290 -7.989 7.641 1.00 0.00 N ATOM 1049 CA ASN A 76 11.987 -9.101 8.266 1.00 0.00 C ATOM 1050 C ASN A 76 13.392 -8.707 8.695 1.00 0.00 C ATOM 1051 O ASN A 76 13.934 -7.692 8.248 1.00 0.00 O ATOM 1052 CB ASN A 76 12.051 -10.301 7.317 1.00 0.00 C ATOM 1053 CG ASN A 76 10.678 -10.788 6.906 1.00 0.00 C ATOM 1054 OD1 ASN A 76 9.702 -10.626 7.637 1.00 0.00 O ATOM 1055 ND2 ASN A 76 10.595 -11.409 5.741 1.00 0.00 N ATOM 0 H ASN A 76 11.295 -8.009 6.621 1.00 0.00 H new ATOM 0 HA ASN A 76 11.423 -9.380 9.156 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.617 -10.027 6.427 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.592 -11.114 7.801 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.698 -11.774 5.420 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.428 -11.523 5.163 1.00 0.00 H new ATOM 1062 N SER A 77 13.980 -9.530 9.549 1.00 0.00 N ATOM 1063 CA SER A 77 15.306 -9.270 10.093 1.00 0.00 C ATOM 1064 C SER A 77 16.387 -9.362 9.012 1.00 0.00 C ATOM 1065 O SER A 77 17.464 -8.787 9.149 1.00 0.00 O ATOM 1066 CB SER A 77 15.596 -10.268 11.209 1.00 0.00 C ATOM 1067 OG SER A 77 14.521 -10.316 12.134 1.00 0.00 O ATOM 0 H SER A 77 13.554 -10.394 9.884 1.00 0.00 H new ATOM 0 HA SER A 77 15.322 -8.254 10.488 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.760 -11.258 10.784 1.00 0.00 H new ATOM 0 HB3 SER A 77 16.514 -9.986 11.725 1.00 0.00 H new ATOM 0 HG SER A 77 14.726 -10.963 12.841 1.00 0.00 H new ATOM 1073 N ASP A 78 16.090 -10.079 7.933 1.00 0.00 N ATOM 1074 CA ASP A 78 17.049 -10.256 6.842 1.00 0.00 C ATOM 1075 C ASP A 78 17.026 -9.076 5.881 1.00 0.00 C ATOM 1076 O ASP A 78 17.796 -9.036 4.922 1.00 0.00 O ATOM 1077 CB ASP A 78 16.764 -11.545 6.069 1.00 0.00 C ATOM 1078 CG ASP A 78 17.178 -12.782 6.835 1.00 0.00 C ATOM 1079 OD1 ASP A 78 18.391 -13.060 6.906 1.00 0.00 O ATOM 1080 OD2 ASP A 78 16.296 -13.478 7.373 1.00 0.00 O ATOM 0 H ASP A 78 15.195 -10.547 7.788 1.00 0.00 H new ATOM 0 HA ASP A 78 18.039 -10.318 7.294 1.00 0.00 H new ATOM 0 HB2 ASP A 78 15.699 -11.601 5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.292 -11.518 5.116 1.00 0.00 H new ATOM 1085 N GLY A 79 16.144 -8.121 6.132 1.00 0.00 N ATOM 1086 CA GLY A 79 16.030 -6.974 5.256 1.00 0.00 C ATOM 1087 C GLY A 79 14.887 -7.121 4.277 1.00 0.00 C ATOM 1088 O GLY A 79 14.409 -6.135 3.720 1.00 0.00 O ATOM 0 H GLY A 79 15.505 -8.120 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.882 -6.075 5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.963 -6.842 4.707 1.00 0.00 H new ATOM 1092 N SER A 80 14.457 -8.360 4.066 1.00 0.00 N ATOM 1093 CA SER A 80 13.325 -8.639 3.200 1.00 0.00 C ATOM 1094 C SER A 80 12.043 -8.114 3.838 1.00 0.00 C ATOM 1095 O SER A 80 11.893 -8.145 5.056 1.00 0.00 O ATOM 1096 CB SER A 80 13.213 -10.141 2.960 1.00 0.00 C ATOM 1097 OG SER A 80 14.443 -10.685 2.501 1.00 0.00 O ATOM 0 H SER A 80 14.879 -9.188 4.486 1.00 0.00 H new ATOM 0 HA SER A 80 13.475 -8.139 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.916 -10.638 3.884 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.431 -10.337 2.227 1.00 0.00 H new ATOM 0 HG SER A 80 14.341 -11.649 2.358 1.00 0.00 H new ATOM 1103 N VAL A 81 11.131 -7.630 3.021 1.00 0.00 N ATOM 1104 CA VAL A 81 9.912 -7.018 3.518 1.00 0.00 C ATOM 1105 C VAL A 81 8.683 -7.837 3.136 1.00 0.00 C ATOM 1106 O VAL A 81 8.481 -8.159 1.966 1.00 0.00 O ATOM 1107 CB VAL A 81 9.766 -5.586 2.970 1.00 0.00 C ATOM 1108 CG1 VAL A 81 8.521 -4.919 3.525 1.00 0.00 C ATOM 1109 CG2 VAL A 81 11.005 -4.772 3.300 1.00 0.00 C ATOM 0 H VAL A 81 11.210 -7.648 2.004 1.00 0.00 H new ATOM 0 HA VAL A 81 9.982 -6.985 4.605 1.00 0.00 H new ATOM 0 HB VAL A 81 9.662 -5.639 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.440 -3.909 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.641 -5.495 3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.587 -4.873 4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.891 -3.761 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.135 -4.729 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.879 -5.240 2.848 1.00 0.00 H new ATOM 1119 N THR A 82 7.863 -8.163 4.123 1.00 0.00 N ATOM 1120 CA THR A 82 6.645 -8.911 3.888 1.00 0.00 C ATOM 1121 C THR A 82 5.475 -7.952 3.691 1.00 0.00 C ATOM 1122 O THR A 82 5.040 -7.276 4.630 1.00 0.00 O ATOM 1123 CB THR A 82 6.350 -9.870 5.061 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.413 -10.827 5.190 1.00 0.00 O ATOM 1125 CG2 THR A 82 5.030 -10.600 4.858 1.00 0.00 C ATOM 0 H THR A 82 8.024 -7.918 5.100 1.00 0.00 H new ATOM 0 HA THR A 82 6.778 -9.507 2.985 1.00 0.00 H new ATOM 0 HB THR A 82 6.277 -9.275 5.972 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.220 -11.431 5.937 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.850 -11.268 5.700 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.219 -9.874 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.074 -11.181 3.937 1.00 0.00 H new ATOM 1133 N ILE A 83 4.989 -7.871 2.463 1.00 0.00 N ATOM 1134 CA ILE A 83 3.871 -7.001 2.149 1.00 0.00 C ATOM 1135 C ILE A 83 2.655 -7.821 1.752 1.00 0.00 C ATOM 1136 O ILE A 83 2.777 -8.968 1.313 1.00 0.00 O ATOM 1137 CB ILE A 83 4.208 -6.004 1.015 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.608 -6.753 -0.260 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.317 -5.059 1.455 1.00 0.00 C ATOM 1140 CD1 ILE A 83 4.851 -5.848 -1.448 1.00 0.00 C ATOM 0 H ILE A 83 5.352 -8.398 1.669 1.00 0.00 H new ATOM 0 HA ILE A 83 3.653 -6.428 3.050 1.00 0.00 H new ATOM 0 HB ILE A 83 3.318 -5.413 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.512 -7.330 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.823 -7.466 -0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.544 -4.363 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.993 -4.502 2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.210 -5.635 1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.130 -6.450 -2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.942 -5.290 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.656 -5.151 -1.216 1.00 0.00 H new ATOM 1152 N SER A 84 1.486 -7.243 1.928 1.00 0.00 N ATOM 1153 CA SER A 84 0.255 -7.887 1.530 1.00 0.00 C ATOM 1154 C SER A 84 -0.560 -6.964 0.637 1.00 0.00 C ATOM 1155 O SER A 84 -0.987 -5.880 1.042 1.00 0.00 O ATOM 1156 CB SER A 84 -0.541 -8.318 2.759 1.00 0.00 C ATOM 1157 OG SER A 84 0.180 -9.287 3.503 1.00 0.00 O ATOM 0 H SER A 84 1.363 -6.321 2.347 1.00 0.00 H new ATOM 0 HA SER A 84 0.494 -8.782 0.956 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.751 -7.451 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.503 -8.729 2.451 1.00 0.00 H new ATOM 0 HG SER A 84 -0.410 -9.691 4.173 1.00 0.00 H new ATOM 1163 N GLU A 85 -0.738 -7.398 -0.591 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.479 -6.643 -1.587 1.00 0.00 C ATOM 1165 C GLU A 85 -2.709 -7.425 -2.047 1.00 0.00 C ATOM 1166 O GLU A 85 -2.606 -8.390 -2.797 1.00 0.00 O ATOM 1167 CB GLU A 85 -0.562 -6.292 -2.773 1.00 0.00 C ATOM 1168 CG GLU A 85 0.326 -7.445 -3.236 1.00 0.00 C ATOM 1169 CD GLU A 85 1.425 -7.008 -4.194 1.00 0.00 C ATOM 1170 OE1 GLU A 85 2.321 -6.252 -3.770 1.00 0.00 O ATOM 1171 OE2 GLU A 85 1.410 -7.424 -5.371 1.00 0.00 O ATOM 0 H GLU A 85 -0.373 -8.287 -0.932 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.828 -5.712 -1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.178 -5.963 -3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.071 -5.450 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.779 -7.918 -2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.293 -8.199 -3.723 1.00 0.00 H new ATOM 1178 N MET A 86 -3.873 -7.025 -1.553 1.00 0.00 N ATOM 1179 CA MET A 86 -5.119 -7.691 -1.894 1.00 0.00 C ATOM 1180 C MET A 86 -5.565 -7.332 -3.306 1.00 0.00 C ATOM 1181 O MET A 86 -5.672 -6.151 -3.648 1.00 0.00 O ATOM 1182 CB MET A 86 -6.213 -7.321 -0.896 1.00 0.00 C ATOM 1183 CG MET A 86 -7.531 -8.014 -1.171 1.00 0.00 C ATOM 1184 SD MET A 86 -8.771 -7.725 0.106 1.00 0.00 S ATOM 1185 CE MET A 86 -8.108 -8.709 1.449 1.00 0.00 C ATOM 0 H MET A 86 -3.978 -6.239 -0.912 1.00 0.00 H new ATOM 0 HA MET A 86 -4.944 -8.766 -1.850 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.879 -7.575 0.110 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.366 -6.242 -0.918 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.920 -7.671 -2.130 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.357 -9.086 -1.263 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.522 -8.360 2.395 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.375 -9.755 1.300 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.023 -8.611 1.470 1.00 0.00 H new ATOM 1195 N ASN A 87 -5.805 -8.367 -4.105 1.00 0.00 N ATOM 1196 CA ASN A 87 -6.258 -8.236 -5.493 1.00 0.00 C ATOM 1197 C ASN A 87 -5.134 -7.735 -6.383 1.00 0.00 C ATOM 1198 O ASN A 87 -4.688 -8.455 -7.276 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.482 -7.319 -5.622 1.00 0.00 C ATOM 1200 CG ASN A 87 -7.977 -7.204 -7.055 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -7.866 -8.136 -7.843 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -8.532 -6.055 -7.403 1.00 0.00 N ATOM 0 H ASN A 87 -5.690 -9.335 -3.806 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.557 -9.231 -5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.286 -7.702 -4.993 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.229 -6.327 -5.248 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.883 -5.925 -8.352 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.609 -5.299 -6.723 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.673 -6.505 -6.132 1.00 0.00 N ATOM 1210 CA TYR A 88 -3.602 -5.913 -6.934 1.00 0.00 C ATOM 1211 C TYR A 88 -4.016 -5.894 -8.413 1.00 0.00 C ATOM 1212 O TYR A 88 -3.205 -6.126 -9.306 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.308 -6.719 -6.718 1.00 0.00 C ATOM 1214 CG TYR A 88 -1.061 -6.092 -7.300 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -0.595 -4.869 -6.841 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -0.346 -6.732 -8.305 1.00 0.00 C ATOM 1217 CE1 TYR A 88 0.548 -4.301 -7.369 1.00 0.00 C ATOM 1218 CE2 TYR A 88 0.798 -6.170 -8.836 1.00 0.00 C ATOM 1219 CZ TYR A 88 1.241 -4.955 -8.365 1.00 0.00 C ATOM 1220 OH TYR A 88 2.382 -4.393 -8.888 1.00 0.00 O ATOM 0 H TYR A 88 -5.023 -5.905 -5.385 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.421 -4.883 -6.625 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.160 -6.860 -5.647 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.437 -7.709 -7.155 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.134 -4.353 -6.060 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.691 -7.685 -8.677 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.898 -3.347 -7.003 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.342 -6.681 -9.617 1.00 0.00 H new ATOM 0 HH TYR A 88 2.749 -4.982 -9.580 1.00 0.00 H new ATOM 1230 N SER A 89 -5.295 -5.575 -8.638 1.00 0.00 N ATOM 1231 CA SER A 89 -5.929 -5.648 -9.959 1.00 0.00 C ATOM 1232 C SER A 89 -5.679 -7.006 -10.616 1.00 0.00 C ATOM 1233 O SER A 89 -4.871 -7.135 -11.539 1.00 0.00 O ATOM 1234 CB SER A 89 -5.499 -4.486 -10.879 1.00 0.00 C ATOM 1235 OG SER A 89 -4.091 -4.387 -10.992 1.00 0.00 O ATOM 0 H SER A 89 -5.925 -5.256 -7.902 1.00 0.00 H new ATOM 0 HA SER A 89 -7.003 -5.543 -9.805 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.932 -4.629 -11.869 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.897 -3.549 -10.489 1.00 0.00 H new ATOM 0 HG SER A 89 -3.680 -5.227 -10.701 1.00 0.00 H new ATOM 1241 N GLY A 90 -6.362 -8.020 -10.103 1.00 0.00 N ATOM 1242 CA GLY A 90 -6.217 -9.364 -10.624 1.00 0.00 C ATOM 1243 C GLY A 90 -7.260 -10.302 -10.055 1.00 0.00 C ATOM 1244 O GLY A 90 -8.399 -10.337 -10.528 1.00 0.00 O ATOM 0 H GLY A 90 -7.020 -7.934 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.300 -9.344 -11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.222 -9.740 -10.388 1.00 0.00 H new ATOM 1248 N GLY A 91 -6.881 -11.049 -9.030 1.00 0.00 N ATOM 1249 CA GLY A 91 -7.810 -11.949 -8.383 1.00 0.00 C ATOM 1250 C GLY A 91 -8.536 -11.279 -7.234 1.00 0.00 C ATOM 1251 O GLY A 91 -7.896 -10.771 -6.312 1.00 0.00 O ATOM 0 H GLY A 91 -5.941 -11.047 -8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.537 -12.307 -9.112 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.272 -12.822 -8.013 1.00 0.00 H new ATOM 1255 N PRO A 92 -9.875 -11.273 -7.257 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.688 -10.600 -6.240 1.00 0.00 C ATOM 1257 C PRO A 92 -10.382 -11.086 -4.823 1.00 0.00 C ATOM 1258 O PRO A 92 -10.527 -12.270 -4.511 1.00 0.00 O ATOM 1259 CB PRO A 92 -12.132 -10.950 -6.628 1.00 0.00 C ATOM 1260 CG PRO A 92 -12.017 -12.105 -7.563 1.00 0.00 C ATOM 1261 CD PRO A 92 -10.708 -11.931 -8.273 1.00 0.00 C ATOM 0 HA PRO A 92 -10.490 -9.528 -6.219 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.723 -11.211 -5.750 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.627 -10.105 -7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.045 -13.050 -7.021 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.846 -12.119 -8.270 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.287 -12.886 -8.585 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.812 -11.320 -9.170 1.00 0.00 H new ATOM 1269 N PHE A 93 -9.926 -10.153 -3.987 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.627 -10.411 -2.578 1.00 0.00 C ATOM 1271 C PHE A 93 -8.426 -11.329 -2.404 1.00 0.00 C ATOM 1272 O PHE A 93 -8.166 -11.795 -1.294 1.00 0.00 O ATOM 1273 CB PHE A 93 -10.820 -11.006 -1.829 1.00 0.00 C ATOM 1274 CG PHE A 93 -11.988 -10.071 -1.675 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -12.984 -10.019 -2.638 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -12.094 -9.251 -0.563 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -14.061 -9.165 -2.495 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -13.170 -8.396 -0.414 1.00 0.00 C ATOM 1279 CZ PHE A 93 -14.154 -8.352 -1.381 1.00 0.00 C ATOM 0 H PHE A 93 -9.752 -9.189 -4.271 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.394 -9.436 -2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.154 -11.901 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.491 -11.322 -0.839 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -12.917 -10.653 -3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -11.327 -9.280 0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -14.830 -9.133 -3.253 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -13.241 -7.763 0.458 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.995 -7.684 -1.267 1.00 0.00 H new ATOM 1289 N SER A 94 -7.691 -11.590 -3.477 1.00 0.00 N ATOM 1290 CA SER A 94 -6.463 -12.356 -3.357 1.00 0.00 C ATOM 1291 C SER A 94 -5.437 -11.534 -2.603 1.00 0.00 C ATOM 1292 O SER A 94 -4.716 -10.739 -3.198 1.00 0.00 O ATOM 1293 CB SER A 94 -5.903 -12.749 -4.724 1.00 0.00 C ATOM 1294 OG SER A 94 -6.794 -13.604 -5.419 1.00 0.00 O ATOM 0 H SER A 94 -7.920 -11.288 -4.424 1.00 0.00 H new ATOM 0 HA SER A 94 -6.687 -13.275 -2.815 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.720 -11.852 -5.316 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.942 -13.248 -4.596 1.00 0.00 H new ATOM 0 HG SER A 94 -6.411 -13.838 -6.290 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.436 -11.664 -1.287 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.438 -11.002 -0.475 1.00 0.00 C ATOM 1302 C VAL A 95 -3.058 -11.596 -0.789 1.00 0.00 C ATOM 1303 O VAL A 95 -2.638 -12.598 -0.207 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.769 -11.082 1.040 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -5.017 -12.517 1.486 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -3.667 -10.437 1.871 1.00 0.00 C ATOM 0 H VAL A 95 -6.113 -12.220 -0.764 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.433 -9.941 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.691 -10.525 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.245 -12.532 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.857 -12.931 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.126 -13.116 1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.922 -10.505 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.725 -10.954 1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.565 -9.389 1.589 1.00 0.00 H new ATOM 1316 N SER A 96 -2.391 -10.999 -1.765 1.00 0.00 N ATOM 1317 CA SER A 96 -1.154 -11.540 -2.295 1.00 0.00 C ATOM 1318 C SER A 96 -0.029 -11.442 -1.277 1.00 0.00 C ATOM 1319 O SER A 96 0.214 -10.384 -0.688 1.00 0.00 O ATOM 1320 CB SER A 96 -0.773 -10.814 -3.587 1.00 0.00 C ATOM 1321 OG SER A 96 0.360 -11.406 -4.198 1.00 0.00 O ATOM 0 H SER A 96 -2.692 -10.131 -2.208 1.00 0.00 H new ATOM 0 HA SER A 96 -1.312 -12.596 -2.516 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.614 -10.835 -4.280 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.565 -9.766 -3.370 1.00 0.00 H new ATOM 0 HG SER A 96 0.578 -10.922 -5.022 1.00 0.00 H new ATOM 1327 N SER A 97 0.634 -12.564 -1.070 1.00 0.00 N ATOM 1328 CA SER A 97 1.768 -12.635 -0.168 1.00 0.00 C ATOM 1329 C SER A 97 3.054 -12.372 -0.944 1.00 0.00 C ATOM 1330 O SER A 97 3.528 -13.234 -1.688 1.00 0.00 O ATOM 1331 CB SER A 97 1.814 -14.014 0.491 1.00 0.00 C ATOM 1332 OG SER A 97 0.518 -14.418 0.909 1.00 0.00 O ATOM 0 H SER A 97 0.403 -13.449 -1.521 1.00 0.00 H new ATOM 0 HA SER A 97 1.666 -11.878 0.610 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.218 -14.744 -0.210 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.486 -13.990 1.349 1.00 0.00 H new ATOM 0 HG SER A 97 0.570 -15.303 1.326 1.00 0.00 H new ATOM 1338 N ARG A 98 3.610 -11.181 -0.785 1.00 0.00 N ATOM 1339 CA ARG A 98 4.755 -10.769 -1.580 1.00 0.00 C ATOM 1340 C ARG A 98 5.908 -10.334 -0.678 1.00 0.00 C ATOM 1341 O ARG A 98 5.686 -9.773 0.397 1.00 0.00 O ATOM 1342 CB ARG A 98 4.331 -9.633 -2.508 1.00 0.00 C ATOM 1343 CG ARG A 98 5.231 -9.437 -3.712 1.00 0.00 C ATOM 1344 CD ARG A 98 4.663 -8.371 -4.635 1.00 0.00 C ATOM 1345 NE ARG A 98 5.442 -8.211 -5.861 1.00 0.00 N ATOM 1346 CZ ARG A 98 4.934 -7.762 -7.011 1.00 0.00 C ATOM 1347 NH1 ARG A 98 3.647 -7.425 -7.092 1.00 0.00 N ATOM 1348 NH2 ARG A 98 5.716 -7.642 -8.079 1.00 0.00 N ATOM 0 H ARG A 98 3.287 -10.484 -0.114 1.00 0.00 H new ATOM 0 HA ARG A 98 5.105 -11.610 -2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 98 3.316 -9.825 -2.856 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.302 -8.705 -1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.229 -9.147 -3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.334 -10.378 -4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.636 -8.630 -4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.628 -7.419 -4.105 1.00 0.00 H new ATOM 0 HE ARG A 98 6.432 -8.457 -5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.045 -7.510 -6.273 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.264 -7.082 -7.973 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.703 -7.893 -8.019 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.329 -7.299 -8.958 1.00 0.00 H new ATOM 1362 N THR A 99 7.132 -10.607 -1.108 1.00 0.00 N ATOM 1363 CA THR A 99 8.306 -10.269 -0.328 1.00 0.00 C ATOM 1364 C THR A 99 9.221 -9.337 -1.119 1.00 0.00 C ATOM 1365 O THR A 99 9.688 -9.678 -2.208 1.00 0.00 O ATOM 1366 CB THR A 99 9.087 -11.537 0.086 1.00 0.00 C ATOM 1367 OG1 THR A 99 8.216 -12.440 0.782 1.00 0.00 O ATOM 1368 CG2 THR A 99 10.267 -11.182 0.979 1.00 0.00 C ATOM 0 H THR A 99 7.334 -11.064 -1.997 1.00 0.00 H new ATOM 0 HA THR A 99 7.968 -9.761 0.575 1.00 0.00 H new ATOM 0 HB THR A 99 9.466 -12.014 -0.818 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.716 -13.242 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.800 -12.091 1.256 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.942 -10.515 0.442 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.905 -10.685 1.879 1.00 0.00 H new ATOM 1376 N ILE A 100 9.457 -8.155 -0.574 1.00 0.00 N ATOM 1377 CA ILE A 100 10.323 -7.181 -1.212 1.00 0.00 C ATOM 1378 C ILE A 100 11.741 -7.302 -0.666 1.00 0.00 C ATOM 1379 O ILE A 100 11.960 -7.158 0.536 1.00 0.00 O ATOM 1380 CB ILE A 100 9.828 -5.735 -0.978 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.379 -5.561 -1.441 1.00 0.00 C ATOM 1382 CG2 ILE A 100 10.725 -4.745 -1.702 1.00 0.00 C ATOM 1383 CD1 ILE A 100 8.170 -5.836 -2.916 1.00 0.00 C ATOM 0 H ILE A 100 9.058 -7.847 0.313 1.00 0.00 H new ATOM 0 HA ILE A 100 10.308 -7.389 -2.282 1.00 0.00 H new ATOM 0 HB ILE A 100 9.869 -5.539 0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.740 -6.229 -0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.057 -4.543 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.364 -3.732 -1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.744 -4.836 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.711 -4.956 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.119 -5.692 -3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.781 -5.151 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.459 -6.863 -3.139 1.00 0.00 H new ATOM 1395 N SER A 101 12.689 -7.597 -1.538 1.00 0.00 N ATOM 1396 CA SER A 101 14.098 -7.576 -1.160 1.00 0.00 C ATOM 1397 C SER A 101 14.510 -6.151 -0.778 1.00 0.00 C ATOM 1398 O SER A 101 13.971 -5.188 -1.319 1.00 0.00 O ATOM 1399 CB SER A 101 14.959 -8.082 -2.319 1.00 0.00 C ATOM 1400 OG SER A 101 14.504 -9.346 -2.781 1.00 0.00 O ATOM 0 H SER A 101 12.514 -7.853 -2.510 1.00 0.00 H new ATOM 0 HA SER A 101 14.248 -8.231 -0.302 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.933 -7.362 -3.137 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.997 -8.161 -1.997 1.00 0.00 H new ATOM 0 HG SER A 101 15.070 -9.646 -3.523 1.00 0.00 H new ATOM 1406 N ALA A 102 15.457 -6.025 0.146 1.00 0.00 N ATOM 1407 CA ALA A 102 15.886 -4.721 0.651 1.00 0.00 C ATOM 1408 C ALA A 102 16.308 -3.778 -0.475 1.00 0.00 C ATOM 1409 O ALA A 102 16.020 -2.582 -0.432 1.00 0.00 O ATOM 1410 CB ALA A 102 17.026 -4.892 1.644 1.00 0.00 C ATOM 0 H ALA A 102 15.947 -6.816 0.565 1.00 0.00 H new ATOM 0 HA ALA A 102 15.030 -4.269 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.337 -3.915 2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.691 -5.506 2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.868 -5.378 1.151 1.00 0.00 H new ATOM 1416 N SER A 103 16.978 -4.321 -1.482 1.00 0.00 N ATOM 1417 CA SER A 103 17.419 -3.532 -2.624 1.00 0.00 C ATOM 1418 C SER A 103 16.228 -2.924 -3.364 1.00 0.00 C ATOM 1419 O SER A 103 16.210 -1.731 -3.669 1.00 0.00 O ATOM 1420 CB SER A 103 18.235 -4.414 -3.565 1.00 0.00 C ATOM 1421 OG SER A 103 17.594 -5.667 -3.760 1.00 0.00 O ATOM 0 H SER A 103 17.229 -5.308 -1.531 1.00 0.00 H new ATOM 0 HA SER A 103 18.041 -2.712 -2.264 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.362 -3.912 -4.524 1.00 0.00 H new ATOM 0 HB3 SER A 103 19.232 -4.570 -3.152 1.00 0.00 H new ATOM 0 HG SER A 103 18.131 -6.218 -4.367 1.00 0.00 H new ATOM 1427 N GLU A 104 15.223 -3.751 -3.623 1.00 0.00 N ATOM 1428 CA GLU A 104 14.019 -3.306 -4.307 1.00 0.00 C ATOM 1429 C GLU A 104 13.177 -2.434 -3.369 1.00 0.00 C ATOM 1430 O GLU A 104 12.403 -1.589 -3.813 1.00 0.00 O ATOM 1431 CB GLU A 104 13.217 -4.518 -4.785 1.00 0.00 C ATOM 1432 CG GLU A 104 12.135 -4.181 -5.799 1.00 0.00 C ATOM 1433 CD GLU A 104 12.684 -3.804 -7.163 1.00 0.00 C ATOM 1434 OE1 GLU A 104 13.032 -2.624 -7.371 1.00 0.00 O ATOM 1435 OE2 GLU A 104 12.758 -4.691 -8.044 1.00 0.00 O ATOM 0 H GLU A 104 15.220 -4.738 -3.367 1.00 0.00 H new ATOM 0 HA GLU A 104 14.296 -2.709 -5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.901 -5.243 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.756 -4.999 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.469 -5.037 -5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.533 -3.356 -5.417 1.00 0.00 H new ATOM 1442 N ALA A 105 13.347 -2.638 -2.067 1.00 0.00 N ATOM 1443 CA ALA A 105 12.662 -1.831 -1.065 1.00 0.00 C ATOM 1444 C ALA A 105 13.202 -0.408 -1.072 1.00 0.00 C ATOM 1445 O ALA A 105 12.495 0.540 -0.733 1.00 0.00 O ATOM 1446 CB ALA A 105 12.812 -2.454 0.315 1.00 0.00 C ATOM 0 H ALA A 105 13.956 -3.359 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 105 11.601 -1.799 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.294 -1.838 1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.380 -3.455 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.869 -2.516 0.573 1.00 0.00 H new ATOM 1452 N GLY A 106 14.465 -0.270 -1.464 1.00 0.00 N ATOM 1453 CA GLY A 106 15.054 1.046 -1.633 1.00 0.00 C ATOM 1454 C GLY A 106 14.525 1.751 -2.870 1.00 0.00 C ATOM 1455 O GLY A 106 14.786 2.935 -3.085 1.00 0.00 O ATOM 0 H GLY A 106 15.092 -1.048 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.844 1.653 -0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.138 0.952 -1.705 1.00 0.00 H new ATOM 1459 N ASN A 107 13.787 1.014 -3.689 1.00 0.00 N ATOM 1460 CA ASN A 107 13.176 1.566 -4.892 1.00 0.00 C ATOM 1461 C ASN A 107 11.812 2.154 -4.578 1.00 0.00 C ATOM 1462 O ASN A 107 11.502 3.277 -4.966 1.00 0.00 O ATOM 1463 CB ASN A 107 13.031 0.477 -5.963 1.00 0.00 C ATOM 1464 CG ASN A 107 12.165 0.902 -7.141 1.00 0.00 C ATOM 1465 OD1 ASN A 107 12.661 1.458 -8.124 1.00 0.00 O ATOM 1466 ND2 ASN A 107 10.863 0.631 -7.062 1.00 0.00 N ATOM 0 H ASN A 107 13.595 0.023 -3.541 1.00 0.00 H new ATOM 0 HA ASN A 107 13.824 2.357 -5.269 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.021 0.203 -6.329 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.601 -0.415 -5.508 1.00 0.00 H new ATOM 0 HD21 ASN A 107 10.242 0.885 -7.830 1.00 0.00 H new ATOM 0 HD22 ASN A 107 10.487 0.170 -6.233 1.00 0.00 H new ATOM 1473 N TYR A 108 11.001 1.386 -3.866 1.00 0.00 N ATOM 1474 CA TYR A 108 9.626 1.759 -3.627 1.00 0.00 C ATOM 1475 C TYR A 108 9.506 2.791 -2.514 1.00 0.00 C ATOM 1476 O TYR A 108 10.174 2.689 -1.486 1.00 0.00 O ATOM 1477 CB TYR A 108 8.822 0.528 -3.256 1.00 0.00 C ATOM 1478 CG TYR A 108 8.848 -0.581 -4.281 1.00 0.00 C ATOM 1479 CD1 TYR A 108 8.370 -0.377 -5.562 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.327 -1.841 -3.952 1.00 0.00 C ATOM 1481 CE1 TYR A 108 8.370 -1.397 -6.492 1.00 0.00 C ATOM 1482 CE2 TYR A 108 9.325 -2.867 -4.874 1.00 0.00 C ATOM 1483 CZ TYR A 108 8.846 -2.638 -6.144 1.00 0.00 C ATOM 1484 OH TYR A 108 8.841 -3.652 -7.070 1.00 0.00 O ATOM 0 H TYR A 108 11.278 0.499 -3.445 1.00 0.00 H new ATOM 0 HA TYR A 108 9.238 2.203 -4.544 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.198 0.138 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 108 7.787 0.825 -3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.991 0.595 -5.839 1.00 0.00 H new ATOM 0 HD2 TYR A 108 9.708 -2.021 -2.958 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.997 -1.220 -7.490 1.00 0.00 H new ATOM 0 HE2 TYR A 108 9.697 -3.844 -4.601 1.00 0.00 H new ATOM 0 HH TYR A 108 9.211 -4.465 -6.667 1.00 0.00 H new ATOM 1494 N ASN A 109 8.636 3.770 -2.722 1.00 0.00 N ATOM 1495 CA ASN A 109 8.390 4.808 -1.731 1.00 0.00 C ATOM 1496 C ASN A 109 7.368 4.320 -0.714 1.00 0.00 C ATOM 1497 O ASN A 109 6.706 3.308 -0.926 1.00 0.00 O ATOM 1498 CB ASN A 109 7.881 6.094 -2.405 1.00 0.00 C ATOM 1499 CG ASN A 109 8.895 6.692 -3.364 1.00 0.00 C ATOM 1500 OD1 ASN A 109 9.759 7.472 -2.961 1.00 0.00 O ATOM 1501 ND2 ASN A 109 8.781 6.357 -4.641 1.00 0.00 N ATOM 0 H ASN A 109 8.085 3.867 -3.575 1.00 0.00 H new ATOM 0 HA ASN A 109 9.329 5.031 -1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.960 5.876 -2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.635 6.828 -1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 109 9.423 6.749 -5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.052 5.707 -4.935 1.00 0.00 H new ATOM 1508 N TYR A 110 7.258 5.028 0.396 1.00 0.00 N ATOM 1509 CA TYR A 110 6.239 4.742 1.386 1.00 0.00 C ATOM 1510 C TYR A 110 5.787 6.052 1.992 1.00 0.00 C ATOM 1511 O TYR A 110 6.577 6.990 2.121 1.00 0.00 O ATOM 1512 CB TYR A 110 6.754 3.768 2.459 1.00 0.00 C ATOM 1513 CG TYR A 110 7.570 4.387 3.576 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.617 5.259 3.321 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.276 4.092 4.900 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.349 5.815 4.350 1.00 0.00 C ATOM 1517 CE2 TYR A 110 8.002 4.646 5.934 1.00 0.00 C ATOM 1518 CZ TYR A 110 9.039 5.507 5.653 1.00 0.00 C ATOM 1519 OH TYR A 110 9.763 6.073 6.675 1.00 0.00 O ATOM 0 H TYR A 110 7.867 5.810 0.634 1.00 0.00 H new ATOM 0 HA TYR A 110 5.392 4.249 0.910 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.898 3.258 2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.362 3.007 1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.864 5.507 2.299 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.464 3.416 5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.163 6.490 4.132 1.00 0.00 H new ATOM 0 HE2 TYR A 110 7.758 4.406 6.958 1.00 0.00 H new ATOM 0 HH TYR A 110 9.419 5.754 7.535 1.00 0.00 H new ATOM 1529 N ILE A 111 4.523 6.134 2.337 1.00 0.00 N ATOM 1530 CA ILE A 111 3.959 7.382 2.798 1.00 0.00 C ATOM 1531 C ILE A 111 3.486 7.260 4.237 1.00 0.00 C ATOM 1532 O ILE A 111 2.709 6.371 4.575 1.00 0.00 O ATOM 1533 CB ILE A 111 2.800 7.835 1.885 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.684 6.791 1.865 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.324 8.064 0.475 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.401 7.261 1.206 1.00 0.00 C ATOM 0 H ILE A 111 3.867 5.354 2.308 1.00 0.00 H new ATOM 0 HA ILE A 111 4.742 8.140 2.756 1.00 0.00 H new ATOM 0 HB ILE A 111 2.389 8.765 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 111 2.042 5.903 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.464 6.492 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.506 8.384 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 111 4.094 8.835 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.748 7.137 0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.337 6.460 1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.015 8.130 1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.602 7.532 0.170 1.00 0.00 H new ATOM 1548 N HIS A 112 3.990 8.129 5.094 1.00 0.00 N ATOM 1549 CA HIS A 112 3.563 8.134 6.481 1.00 0.00 C ATOM 1550 C HIS A 112 3.387 9.560 6.978 1.00 0.00 C ATOM 1551 O HIS A 112 3.927 10.498 6.391 1.00 0.00 O ATOM 1552 CB HIS A 112 4.569 7.384 7.364 1.00 0.00 C ATOM 1553 CG HIS A 112 5.911 8.046 7.471 1.00 0.00 C ATOM 1554 ND1 HIS A 112 6.185 9.019 8.404 1.00 0.00 N ATOM 1555 CD2 HIS A 112 7.064 7.852 6.779 1.00 0.00 C ATOM 1556 CE1 HIS A 112 7.441 9.392 8.289 1.00 0.00 C ATOM 1557 NE2 HIS A 112 8.003 8.701 7.314 1.00 0.00 N ATOM 0 H HIS A 112 4.688 8.834 4.858 1.00 0.00 H new ATOM 0 HA HIS A 112 2.603 7.621 6.542 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.148 7.278 8.364 1.00 0.00 H new ATOM 0 HB3 HIS A 112 4.704 6.378 6.967 1.00 0.00 H new ATOM 0 HD1 HIS A 112 5.518 9.393 9.079 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.214 7.161 5.963 1.00 0.00 H new ATOM 0 HE1 HIS A 112 7.932 10.141 8.893 1.00 0.00 H new ATOM 1566 N ILE A 113 2.628 9.712 8.047 1.00 0.00 N ATOM 1567 CA ILE A 113 2.435 10.992 8.673 1.00 0.00 C ATOM 1568 C ILE A 113 3.713 11.421 9.388 1.00 0.00 C ATOM 1569 O ILE A 113 3.972 12.638 9.470 1.00 0.00 O ATOM 1570 CB ILE A 113 1.249 10.960 9.666 1.00 0.00 C ATOM 1571 CG1 ILE A 113 1.495 9.988 10.838 1.00 0.00 C ATOM 1572 CG2 ILE A 113 -0.044 10.609 8.936 1.00 0.00 C ATOM 1573 CD1 ILE A 113 1.371 8.516 10.491 1.00 0.00 C ATOM 1574 OXT ILE A 113 4.478 10.531 9.823 1.00 0.00 O ATOM 0 H ILE A 113 2.130 8.946 8.501 1.00 0.00 H new ATOM 0 HA ILE A 113 2.199 11.718 7.895 1.00 0.00 H new ATOM 0 HB ILE A 113 1.156 11.958 10.094 1.00 0.00 H new ATOM 0 HG12 ILE A 113 2.494 10.169 11.236 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.788 10.218 11.635 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.870 10.590 9.647 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.243 11.357 8.169 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.056 9.629 8.470 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.562 7.915 11.380 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.365 8.312 10.124 1.00 0.00 H new ATOM 0 HD13 ILE A 113 2.097 8.262 9.719 1.00 0.00 H new