USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 873 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 111 THR OG1 : rot 180:sc= 0.088 USER MOD Set 1.2: A 142 THR OG1 : rot -125:sc= 0.0222 USER MOD Set 2.1: A 71 GLN : amide:sc= 0.521 K(o=1.3,f=-0.055) USER MOD Set 2.2: A 73 SER OG : rot 112:sc= 0.807 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= 1.12 (180deg=0.471) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -103:sc= 0.906 USER MOD Single : A 58 SER OG : rot 40:sc= 0.0614 USER MOD Single : A 62 LYS NZ :NH3+ -145:sc= 1.06 (180deg=-0.113!) USER MOD Single : A 64 GLN : amide:sc= -0.0608 K(o=-0.061,f=-1) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.026 X(o=-0.026,f=-0.0027) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0182 K(o=-0.018,f=-2) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 47:sc= -0.0341 USER MOD Single : A 97 GLN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 102 SER OG : rot 89:sc= 0.625 USER MOD Single : A 106 MET CE :methyl -152:sc= -0.0459 (180deg=-0.133) USER MOD Single : A 113 MET CE :methyl 175:sc= 0 (180deg=-0.0214) USER MOD Single : A 115 THR OG1 : rot 132:sc= 1.13 USER MOD Single : A 118 SER OG : rot 160:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 158:sc= 1.1 (180deg=1.03) USER MOD Single : A 120 TYR OH : rot 30:sc= -0.0929 USER MOD Single : A 121 CYS SG : rot -150:sc= -0.468 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 138 CYS SG : rot 160:sc= -1.54 USER MOD Single : A 144 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0536) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N GLU A 35 -4.428 22.145 -2.654 1.00 0.00 N ATOM 43 CA GLU A 35 -3.968 21.258 -3.754 1.00 0.00 C ATOM 44 C GLU A 35 -3.153 20.035 -3.218 1.00 0.00 C ATOM 45 O GLU A 35 -2.082 20.183 -2.608 1.00 0.00 O ATOM 46 CB GLU A 35 -3.109 22.080 -4.762 1.00 0.00 C ATOM 47 CG GLU A 35 -3.754 23.344 -5.403 1.00 0.00 C ATOM 48 CD GLU A 35 -3.591 24.635 -4.604 1.00 0.00 C ATOM 49 OE1 GLU A 35 -4.219 24.770 -3.531 1.00 0.00 O ATOM 50 OE2 GLU A 35 -2.832 25.517 -5.052 1.00 0.00 O ATOM 0 HA GLU A 35 -4.850 20.862 -4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.199 22.392 -4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.808 21.412 -5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.321 23.491 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.818 23.156 -5.546 1.00 0.00 H new ATOM 57 N TRP A 36 -3.701 18.823 -3.440 1.00 0.00 N ATOM 58 CA TRP A 36 -3.144 17.538 -2.922 1.00 0.00 C ATOM 59 C TRP A 36 -3.379 17.390 -1.382 1.00 0.00 C ATOM 60 O TRP A 36 -3.142 18.323 -0.605 1.00 0.00 O ATOM 61 CB TRP A 36 -1.661 17.226 -3.278 1.00 0.00 C ATOM 62 CG TRP A 36 -1.227 17.285 -4.751 1.00 0.00 C ATOM 63 CD1 TRP A 36 -0.860 18.454 -5.452 1.00 0.00 C ATOM 64 CD2 TRP A 36 -1.005 16.246 -5.635 1.00 0.00 C ATOM 65 NE1 TRP A 36 -0.450 18.173 -6.768 1.00 0.00 N ATOM 66 CE2 TRP A 36 -0.542 16.794 -6.859 1.00 0.00 C ATOM 67 CE3 TRP A 36 -1.140 14.847 -5.487 1.00 0.00 C ATOM 68 CZ2 TRP A 36 -0.231 15.941 -7.947 1.00 0.00 C ATOM 69 CZ3 TRP A 36 -0.852 14.027 -6.577 1.00 0.00 C ATOM 70 CH2 TRP A 36 -0.406 14.566 -7.790 1.00 0.00 C ATOM 0 H TRP A 36 -4.552 18.698 -3.989 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.715 16.786 -3.466 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.034 17.922 -2.721 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.435 16.226 -2.907 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.890 19.447 -5.028 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.154 18.832 -7.488 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.460 14.421 -4.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.134 16.347 -8.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.975 12.958 -6.484 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.194 13.906 -8.618 1.00 0.00 H new ATOM 81 N LEU A 37 -3.823 16.198 -0.950 1.00 0.00 N ATOM 82 CA LEU A 37 -4.154 15.908 0.472 1.00 0.00 C ATOM 83 C LEU A 37 -2.881 15.413 1.217 1.00 0.00 C ATOM 84 O LEU A 37 -2.243 14.430 0.824 1.00 0.00 O ATOM 85 CB LEU A 37 -5.347 14.903 0.510 1.00 0.00 C ATOM 86 CG LEU A 37 -6.079 14.588 1.849 1.00 0.00 C ATOM 87 CD1 LEU A 37 -5.316 13.622 2.777 1.00 0.00 C ATOM 88 CD2 LEU A 37 -6.565 15.839 2.608 1.00 0.00 C ATOM 0 H LEU A 37 -3.966 15.401 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.477 16.805 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.099 15.271 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.981 13.956 0.114 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.973 14.055 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.895 13.457 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.163 12.671 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.349 14.054 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.064 15.535 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.711 16.472 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.264 16.395 1.983 1.00 0.00 H new ATOM 100 N ASP A 38 -2.549 16.114 2.313 1.00 0.00 N ATOM 101 CA ASP A 38 -1.342 15.846 3.140 1.00 0.00 C ATOM 102 C ASP A 38 -1.541 14.614 4.081 1.00 0.00 C ATOM 103 O ASP A 38 -2.226 14.690 5.109 1.00 0.00 O ATOM 104 CB ASP A 38 -1.022 17.146 3.932 1.00 0.00 C ATOM 105 CG ASP A 38 -0.363 18.242 3.101 1.00 0.00 C ATOM 106 OD1 ASP A 38 -1.058 19.057 2.456 1.00 0.00 O ATOM 107 OD2 ASP A 38 0.879 18.299 3.067 1.00 0.00 O ATOM 0 H ASP A 38 -3.110 16.892 2.660 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.499 15.584 2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.947 17.535 4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.368 16.897 4.767 1.00 0.00 H new ATOM 112 N ILE A 39 -0.916 13.484 3.699 1.00 0.00 N ATOM 113 CA ILE A 39 -0.919 12.228 4.506 1.00 0.00 C ATOM 114 C ILE A 39 0.438 12.215 5.280 1.00 0.00 C ATOM 115 O ILE A 39 1.513 12.399 4.695 1.00 0.00 O ATOM 116 CB ILE A 39 -1.168 10.935 3.639 1.00 0.00 C ATOM 117 CG1 ILE A 39 -2.471 10.997 2.781 1.00 0.00 C ATOM 118 CG2 ILE A 39 -1.207 9.651 4.516 1.00 0.00 C ATOM 119 CD1 ILE A 39 -2.601 9.942 1.670 1.00 0.00 C ATOM 0 H ILE A 39 -0.394 13.406 2.826 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.756 12.213 5.205 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.319 10.893 2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.327 10.899 3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.535 11.985 2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.381 8.782 3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.256 9.536 5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.012 9.733 5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.544 10.084 1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.773 10.048 0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.578 8.945 2.110 1.00 0.00 H new ATOM 131 N LEU A 40 0.344 11.975 6.603 1.00 0.00 N ATOM 132 CA LEU A 40 1.471 11.894 7.560 1.00 0.00 C ATOM 133 C LEU A 40 1.620 13.209 8.386 1.00 0.00 C ATOM 134 O LEU A 40 1.379 13.168 9.598 1.00 0.00 O ATOM 135 CB LEU A 40 2.796 11.235 7.074 1.00 0.00 C ATOM 136 CG LEU A 40 3.627 10.584 8.215 1.00 0.00 C ATOM 137 CD1 LEU A 40 3.423 9.057 8.316 1.00 0.00 C ATOM 138 CD2 LEU A 40 5.113 10.927 8.070 1.00 0.00 C ATOM 0 H LEU A 40 -0.558 11.825 7.056 1.00 0.00 H new ATOM 0 HA LEU A 40 1.168 11.117 8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.561 10.475 6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.406 11.990 6.578 1.00 0.00 H new ATOM 0 HG LEU A 40 3.256 11.008 9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.030 8.662 9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.372 8.842 8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.723 8.587 7.379 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.675 10.461 8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.480 10.556 7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.243 12.008 8.114 1.00 0.00 H new ATOM 150 N GLY A 41 1.982 14.355 7.772 1.00 0.00 N ATOM 151 CA GLY A 41 2.004 15.648 8.499 1.00 0.00 C ATOM 152 C GLY A 41 2.497 16.838 7.660 1.00 0.00 C ATOM 153 O GLY A 41 1.711 17.730 7.327 1.00 0.00 O ATOM 0 H GLY A 41 2.259 14.415 6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.999 15.865 8.860 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.643 15.547 9.376 1.00 0.00 H new ATOM 157 N ASN A 42 3.806 16.853 7.354 1.00 0.00 N ATOM 158 CA ASN A 42 4.478 17.985 6.651 1.00 0.00 C ATOM 159 C ASN A 42 4.090 18.026 5.142 1.00 0.00 C ATOM 160 O ASN A 42 3.326 18.905 4.730 1.00 0.00 O ATOM 161 CB ASN A 42 6.018 17.929 6.885 1.00 0.00 C ATOM 162 CG ASN A 42 6.487 18.106 8.341 1.00 0.00 C ATOM 163 OD1 ASN A 42 6.376 19.184 8.923 1.00 0.00 O ATOM 164 ND2 ASN A 42 7.015 17.051 8.942 1.00 0.00 N ATOM 0 H ASN A 42 4.437 16.085 7.583 1.00 0.00 H new ATOM 0 HA ASN A 42 4.125 18.925 7.075 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.386 16.970 6.520 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.486 18.703 6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.339 17.123 9.906 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.097 16.167 8.441 1.00 0.00 H new ATOM 171 N GLY A 43 4.588 17.058 4.357 1.00 0.00 N ATOM 172 CA GLY A 43 4.140 16.829 2.972 1.00 0.00 C ATOM 173 C GLY A 43 4.965 15.738 2.263 1.00 0.00 C ATOM 174 O GLY A 43 5.591 16.024 1.238 1.00 0.00 O ATOM 0 H GLY A 43 5.314 16.410 4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.089 16.541 2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.214 17.760 2.410 1.00 0.00 H new ATOM 178 N LEU A 44 4.942 14.496 2.788 1.00 0.00 N ATOM 179 CA LEU A 44 5.686 13.346 2.208 1.00 0.00 C ATOM 180 C LEU A 44 4.810 12.584 1.167 1.00 0.00 C ATOM 181 O LEU A 44 5.207 12.463 0.004 1.00 0.00 O ATOM 182 CB LEU A 44 6.229 12.386 3.314 1.00 0.00 C ATOM 183 CG LEU A 44 7.195 12.903 4.421 1.00 0.00 C ATOM 184 CD1 LEU A 44 8.454 13.597 3.870 1.00 0.00 C ATOM 185 CD2 LEU A 44 6.529 13.752 5.524 1.00 0.00 C ATOM 0 H LEU A 44 4.410 14.256 3.625 1.00 0.00 H new ATOM 0 HA LEU A 44 6.554 13.747 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.363 11.959 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.736 11.567 2.805 1.00 0.00 H new ATOM 0 HG LEU A 44 7.517 11.982 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.078 13.930 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.015 12.896 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.161 14.457 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.282 14.065 6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.068 14.633 5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.766 13.159 6.028 1.00 0.00 H new ATOM 197 N LEU A 45 3.637 12.073 1.598 1.00 0.00 N ATOM 198 CA LEU A 45 2.737 11.242 0.765 1.00 0.00 C ATOM 199 C LEU A 45 1.515 12.109 0.350 1.00 0.00 C ATOM 200 O LEU A 45 0.741 12.552 1.205 1.00 0.00 O ATOM 201 CB LEU A 45 2.387 9.993 1.624 1.00 0.00 C ATOM 202 CG LEU A 45 1.532 8.890 0.949 1.00 0.00 C ATOM 203 CD1 LEU A 45 2.222 8.279 -0.282 1.00 0.00 C ATOM 204 CD2 LEU A 45 1.211 7.777 1.959 1.00 0.00 C ATOM 0 H LEU A 45 3.284 12.226 2.542 1.00 0.00 H new ATOM 0 HA LEU A 45 3.181 10.894 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.320 9.540 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.859 10.332 2.515 1.00 0.00 H new ATOM 0 HG LEU A 45 0.612 9.367 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.580 7.512 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.406 9.059 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.170 7.832 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.610 7.008 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.139 7.337 2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.655 8.196 2.798 1.00 0.00 H new ATOM 216 N ARG A 46 1.378 12.379 -0.963 1.00 0.00 N ATOM 217 CA ARG A 46 0.418 13.399 -1.485 1.00 0.00 C ATOM 218 C ARG A 46 -0.698 12.733 -2.351 1.00 0.00 C ATOM 219 O ARG A 46 -0.429 12.308 -3.476 1.00 0.00 O ATOM 220 CB ARG A 46 1.189 14.498 -2.280 1.00 0.00 C ATOM 221 CG ARG A 46 2.264 15.298 -1.490 1.00 0.00 C ATOM 222 CD ARG A 46 2.495 16.760 -1.956 1.00 0.00 C ATOM 223 NE ARG A 46 1.387 17.703 -1.593 1.00 0.00 N ATOM 224 CZ ARG A 46 1.089 18.124 -0.361 1.00 0.00 C ATOM 225 NH1 ARG A 46 1.833 17.859 0.674 1.00 0.00 N ATOM 226 NH2 ARG A 46 0.003 18.823 -0.166 1.00 0.00 N ATOM 0 H ARG A 46 1.917 11.909 -1.691 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.080 13.876 -0.641 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.674 14.025 -3.134 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.461 15.205 -2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.979 15.313 -0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.211 14.762 -1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.425 17.125 -1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.624 16.768 -3.038 1.00 0.00 H new ATOM 0 HE ARG A 46 0.809 18.055 -2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.684 17.308 0.563 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.565 18.202 1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.610 19.043 -0.951 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.232 19.149 0.772 1.00 0.00 H new ATOM 240 N LYS A 47 -1.957 12.667 -1.865 1.00 0.00 N ATOM 241 CA LYS A 47 -3.090 12.080 -2.642 1.00 0.00 C ATOM 242 C LYS A 47 -3.967 13.184 -3.325 1.00 0.00 C ATOM 243 O LYS A 47 -4.697 13.916 -2.656 1.00 0.00 O ATOM 244 CB LYS A 47 -3.942 11.161 -1.710 1.00 0.00 C ATOM 245 CG LYS A 47 -5.069 10.375 -2.438 1.00 0.00 C ATOM 246 CD LYS A 47 -6.202 9.798 -1.557 1.00 0.00 C ATOM 247 CE LYS A 47 -5.883 8.460 -0.863 1.00 0.00 C ATOM 248 NZ LYS A 47 -7.156 7.772 -0.507 1.00 0.00 N ATOM 0 H LYS A 47 -2.222 13.010 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.678 11.476 -3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.279 10.449 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.390 11.773 -0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.519 11.036 -3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.610 9.550 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.455 10.533 -0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.089 9.664 -2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.287 7.829 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.288 8.635 0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.960 7.011 0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.813 8.456 -0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.584 7.368 -1.365 1.00 0.00 H new ATOM 262 N LYS A 48 -4.005 13.209 -4.669 1.00 0.00 N ATOM 263 CA LYS A 48 -5.115 13.851 -5.427 1.00 0.00 C ATOM 264 C LYS A 48 -6.270 12.819 -5.590 1.00 0.00 C ATOM 265 O LYS A 48 -6.076 11.763 -6.198 1.00 0.00 O ATOM 266 CB LYS A 48 -4.574 14.341 -6.798 1.00 0.00 C ATOM 267 CG LYS A 48 -5.584 15.135 -7.669 1.00 0.00 C ATOM 268 CD LYS A 48 -5.071 15.492 -9.085 1.00 0.00 C ATOM 269 CE LYS A 48 -3.803 16.365 -9.190 1.00 0.00 C ATOM 270 NZ LYS A 48 -4.024 17.740 -8.659 1.00 0.00 N ATOM 0 H LYS A 48 -3.284 12.795 -5.260 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.507 14.717 -4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.701 14.969 -6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.234 13.475 -7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.499 14.551 -7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.847 16.056 -7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.882 14.560 -9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.875 16.004 -9.614 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.990 15.891 -8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.490 16.425 -10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.147 18.292 -8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.782 18.203 -9.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.297 17.685 -7.657 1.00 0.00 H new ATOM 284 N THR A 49 -7.458 13.144 -5.060 1.00 0.00 N ATOM 285 CA THR A 49 -8.651 12.265 -5.173 1.00 0.00 C ATOM 286 C THR A 49 -9.417 12.670 -6.468 1.00 0.00 C ATOM 287 O THR A 49 -10.044 13.734 -6.523 1.00 0.00 O ATOM 288 CB THR A 49 -9.499 12.357 -3.871 1.00 0.00 C ATOM 289 OG1 THR A 49 -8.704 12.007 -2.739 1.00 0.00 O ATOM 290 CG2 THR A 49 -10.720 11.424 -3.859 1.00 0.00 C ATOM 0 H THR A 49 -7.627 14.009 -4.546 1.00 0.00 H new ATOM 0 HA THR A 49 -8.381 11.213 -5.267 1.00 0.00 H new ATOM 0 HB THR A 49 -9.847 13.389 -3.831 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.247 12.070 -1.926 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.261 11.545 -2.920 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.378 11.675 -4.691 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.389 10.390 -3.957 1.00 0.00 H new ATOM 298 N LEU A 50 -9.364 11.798 -7.497 1.00 0.00 N ATOM 299 CA LEU A 50 -10.111 11.991 -8.774 1.00 0.00 C ATOM 300 C LEU A 50 -11.640 11.766 -8.543 1.00 0.00 C ATOM 301 O LEU A 50 -12.399 12.736 -8.632 1.00 0.00 O ATOM 302 CB LEU A 50 -9.551 11.132 -9.952 1.00 0.00 C ATOM 303 CG LEU A 50 -8.153 11.483 -10.542 1.00 0.00 C ATOM 304 CD1 LEU A 50 -6.969 11.087 -9.635 1.00 0.00 C ATOM 305 CD2 LEU A 50 -7.966 10.805 -11.916 1.00 0.00 C ATOM 0 H LEU A 50 -8.808 10.943 -7.474 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.961 13.024 -9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.516 10.096 -9.616 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.274 11.179 -10.767 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.142 12.569 -10.632 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.032 11.365 -10.118 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.053 11.605 -8.680 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.984 10.010 -9.466 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.985 11.059 -12.317 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.042 9.724 -11.802 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.739 11.153 -12.602 1.00 0.00 H new ATOM 317 N VAL A 51 -12.071 10.530 -8.199 1.00 0.00 N ATOM 318 CA VAL A 51 -13.429 10.267 -7.636 1.00 0.00 C ATOM 319 C VAL A 51 -13.287 9.805 -6.141 1.00 0.00 C ATOM 320 O VAL A 51 -12.424 8.963 -5.867 1.00 0.00 O ATOM 321 CB VAL A 51 -14.305 9.282 -8.483 1.00 0.00 C ATOM 322 CG1 VAL A 51 -14.719 9.893 -9.840 1.00 0.00 C ATOM 323 CG2 VAL A 51 -13.721 7.865 -8.684 1.00 0.00 C ATOM 0 H VAL A 51 -11.499 9.691 -8.300 1.00 0.00 H new ATOM 0 HA VAL A 51 -13.983 11.205 -7.679 1.00 0.00 H new ATOM 0 HB VAL A 51 -15.190 9.140 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -15.325 9.175 -10.393 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -15.298 10.800 -9.669 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.827 10.135 -10.417 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.409 7.269 -9.284 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.762 7.936 -9.196 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.580 7.389 -7.714 1.00 0.00 H new ATOM 333 N PRO A 52 -14.105 10.283 -5.154 1.00 0.00 N ATOM 334 CA PRO A 52 -14.000 9.850 -3.733 1.00 0.00 C ATOM 335 C PRO A 52 -14.633 8.456 -3.430 1.00 0.00 C ATOM 336 O PRO A 52 -15.259 7.824 -4.289 1.00 0.00 O ATOM 337 CB PRO A 52 -14.699 11.026 -3.015 1.00 0.00 C ATOM 338 CG PRO A 52 -15.764 11.519 -3.992 1.00 0.00 C ATOM 339 CD PRO A 52 -15.098 11.358 -5.357 1.00 0.00 C ATOM 0 HA PRO A 52 -12.975 9.675 -3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -15.147 10.703 -2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.989 11.818 -2.774 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -16.678 10.930 -3.920 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -16.037 12.556 -3.798 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.824 11.089 -6.125 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.622 12.284 -5.679 1.00 0.00 H new ATOM 347 N GLY A 53 -14.493 8.015 -2.166 1.00 0.00 N ATOM 348 CA GLY A 53 -15.299 6.901 -1.616 1.00 0.00 C ATOM 349 C GLY A 53 -16.777 7.333 -1.381 1.00 0.00 C ATOM 350 O GLY A 53 -16.974 8.244 -0.571 1.00 0.00 O ATOM 0 H GLY A 53 -13.828 8.412 -1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.270 6.055 -2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.863 6.563 -0.676 1.00 0.00 H new ATOM 354 N PRO A 54 -17.823 6.772 -2.057 1.00 0.00 N ATOM 355 CA PRO A 54 -19.204 7.337 -2.027 1.00 0.00 C ATOM 356 C PRO A 54 -19.979 7.164 -0.673 1.00 0.00 C ATOM 357 O PRO A 54 -19.528 6.379 0.166 1.00 0.00 O ATOM 358 CB PRO A 54 -19.868 6.596 -3.208 1.00 0.00 C ATOM 359 CG PRO A 54 -19.126 5.265 -3.333 1.00 0.00 C ATOM 360 CD PRO A 54 -17.686 5.615 -2.965 1.00 0.00 C ATOM 0 HA PRO A 54 -19.206 8.424 -2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.930 6.436 -3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -19.789 7.176 -4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -19.539 4.512 -2.661 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.194 4.862 -4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.184 4.780 -2.476 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.098 5.867 -3.848 1.00 0.00 H new ATOM 368 N PRO A 55 -21.137 7.843 -0.402 1.00 0.00 N ATOM 369 CA PRO A 55 -21.889 7.691 0.876 1.00 0.00 C ATOM 370 C PRO A 55 -22.510 6.268 1.033 1.00 0.00 C ATOM 371 O PRO A 55 -23.373 5.859 0.249 1.00 0.00 O ATOM 372 CB PRO A 55 -22.916 8.839 0.805 1.00 0.00 C ATOM 373 CG PRO A 55 -23.092 9.148 -0.683 1.00 0.00 C ATOM 374 CD PRO A 55 -21.716 8.871 -1.289 1.00 0.00 C ATOM 0 HA PRO A 55 -21.267 7.764 1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -23.863 8.545 1.258 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -22.561 9.715 1.347 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -23.859 8.518 -1.133 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -23.396 10.183 -0.842 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -21.796 8.513 -2.316 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -21.101 9.771 -1.312 1.00 0.00 H new ATOM 382 N GLY A 56 -21.973 5.509 2.004 1.00 0.00 N ATOM 383 CA GLY A 56 -22.131 4.037 2.056 1.00 0.00 C ATOM 384 C GLY A 56 -20.978 3.314 1.327 1.00 0.00 C ATOM 385 O GLY A 56 -21.163 2.844 0.201 1.00 0.00 O ATOM 0 H GLY A 56 -21.420 5.891 2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -22.166 3.711 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -23.081 3.757 1.602 1.00 0.00 H new ATOM 389 N SER A 57 -19.794 3.249 1.970 1.00 0.00 N ATOM 390 CA SER A 57 -18.568 2.658 1.371 1.00 0.00 C ATOM 391 C SER A 57 -17.614 2.174 2.498 1.00 0.00 C ATOM 392 O SER A 57 -17.331 2.923 3.441 1.00 0.00 O ATOM 393 CB SER A 57 -17.872 3.664 0.421 1.00 0.00 C ATOM 394 OG SER A 57 -17.401 4.829 1.095 1.00 0.00 O ATOM 0 H SER A 57 -19.656 3.602 2.917 1.00 0.00 H new ATOM 0 HA SER A 57 -18.848 1.795 0.767 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.033 3.171 -0.071 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.571 3.960 -0.361 1.00 0.00 H new ATOM 0 HG SER A 57 -18.011 5.576 0.921 1.00 0.00 H new ATOM 400 N SER A 58 -17.112 0.927 2.384 1.00 0.00 N ATOM 401 CA SER A 58 -16.281 0.290 3.442 1.00 0.00 C ATOM 402 C SER A 58 -14.847 -0.030 2.951 1.00 0.00 C ATOM 403 O SER A 58 -14.621 -0.844 2.049 1.00 0.00 O ATOM 404 CB SER A 58 -16.957 -0.968 4.025 1.00 0.00 C ATOM 405 OG SER A 58 -17.257 -1.947 3.033 1.00 0.00 O ATOM 0 H SER A 58 -17.265 0.334 1.568 1.00 0.00 H new ATOM 0 HA SER A 58 -16.194 1.023 4.244 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.304 -1.409 4.778 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.877 -0.678 4.532 1.00 0.00 H new ATOM 0 HG SER A 58 -16.522 -1.994 2.387 1.00 0.00 H new ATOM 411 N ARG A 59 -13.889 0.586 3.652 1.00 0.00 N ATOM 412 CA ARG A 59 -12.439 0.272 3.549 1.00 0.00 C ATOM 413 C ARG A 59 -12.075 -1.090 4.252 1.00 0.00 C ATOM 414 O ARG A 59 -12.272 -1.182 5.472 1.00 0.00 O ATOM 415 CB ARG A 59 -11.604 1.486 4.039 1.00 0.00 C ATOM 416 CG ARG A 59 -11.788 1.976 5.500 1.00 0.00 C ATOM 417 CD ARG A 59 -11.251 3.397 5.747 1.00 0.00 C ATOM 418 NE ARG A 59 -12.145 4.430 5.143 1.00 0.00 N ATOM 419 CZ ARG A 59 -12.126 5.735 5.405 1.00 0.00 C ATOM 420 NH1 ARG A 59 -11.371 6.279 6.322 1.00 0.00 N ATOM 421 NH2 ARG A 59 -12.903 6.519 4.715 1.00 0.00 N ATOM 0 H ARG A 59 -14.091 1.330 4.320 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.179 0.110 2.503 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.551 1.239 3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.822 2.325 3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.848 1.948 5.753 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -11.282 1.284 6.173 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.162 3.573 6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.250 3.488 5.325 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.835 4.105 4.466 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.751 5.696 6.884 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.401 7.287 6.476 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.508 6.130 3.992 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.906 7.523 4.897 1.00 0.00 H new ATOM 435 N PRO A 60 -11.580 -2.161 3.557 1.00 0.00 N ATOM 436 CA PRO A 60 -11.499 -3.531 4.134 1.00 0.00 C ATOM 437 C PRO A 60 -10.461 -3.731 5.279 1.00 0.00 C ATOM 438 O PRO A 60 -9.545 -2.929 5.489 1.00 0.00 O ATOM 439 CB PRO A 60 -11.224 -4.416 2.897 1.00 0.00 C ATOM 440 CG PRO A 60 -10.612 -3.485 1.856 1.00 0.00 C ATOM 441 CD PRO A 60 -11.272 -2.135 2.113 1.00 0.00 C ATOM 0 HA PRO A 60 -12.418 -3.786 4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.544 -5.232 3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.144 -4.868 2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.529 -3.424 1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.810 -3.837 0.844 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.606 -1.310 1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.174 -2.011 1.514 1.00 0.00 H new ATOM 449 N VAL A 61 -10.659 -4.836 6.014 1.00 0.00 N ATOM 450 CA VAL A 61 -9.855 -5.199 7.218 1.00 0.00 C ATOM 451 C VAL A 61 -8.420 -5.712 6.869 1.00 0.00 C ATOM 452 O VAL A 61 -8.167 -6.171 5.750 1.00 0.00 O ATOM 453 CB VAL A 61 -10.649 -6.212 8.121 1.00 0.00 C ATOM 454 CG1 VAL A 61 -11.919 -5.588 8.744 1.00 0.00 C ATOM 455 CG2 VAL A 61 -10.995 -7.564 7.446 1.00 0.00 C ATOM 0 H VAL A 61 -11.386 -5.517 5.797 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.697 -4.284 7.789 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.941 -6.443 8.917 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -12.427 -6.332 9.357 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -11.639 -4.737 9.365 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.587 -5.254 7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.542 -8.192 8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.611 -7.384 6.565 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.075 -8.068 7.148 1.00 0.00 H new ATOM 465 N LYS A 62 -7.494 -5.639 7.853 1.00 0.00 N ATOM 466 CA LYS A 62 -6.065 -6.022 7.652 1.00 0.00 C ATOM 467 C LYS A 62 -5.807 -7.560 7.803 1.00 0.00 C ATOM 468 O LYS A 62 -5.279 -8.042 8.811 1.00 0.00 O ATOM 469 CB LYS A 62 -5.186 -5.089 8.541 1.00 0.00 C ATOM 470 CG LYS A 62 -3.704 -4.998 8.092 1.00 0.00 C ATOM 471 CD LYS A 62 -2.903 -3.835 8.733 1.00 0.00 C ATOM 472 CE LYS A 62 -1.601 -3.442 7.989 1.00 0.00 C ATOM 473 NZ LYS A 62 -1.908 -2.693 6.736 1.00 0.00 N ATOM 0 H LYS A 62 -7.705 -5.319 8.798 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.769 -5.858 6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.618 -4.088 8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.221 -5.447 9.570 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.208 -5.938 8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.673 -4.888 7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.549 -2.959 8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.649 -4.111 9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.977 -2.830 8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.029 -4.339 7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.211 -2.939 6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.861 -2.946 6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.866 -1.671 6.924 1.00 0.00 H new ATOM 487 N GLY A 63 -6.173 -8.286 6.737 1.00 0.00 N ATOM 488 CA GLY A 63 -5.949 -9.741 6.595 1.00 0.00 C ATOM 489 C GLY A 63 -6.903 -10.405 5.568 1.00 0.00 C ATOM 490 O GLY A 63 -7.470 -11.457 5.874 1.00 0.00 O ATOM 0 H GLY A 63 -6.643 -7.875 5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.917 -9.916 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.080 -10.219 7.566 1.00 0.00 H new ATOM 494 N GLN A 64 -7.069 -9.814 4.363 1.00 0.00 N ATOM 495 CA GLN A 64 -7.972 -10.336 3.300 1.00 0.00 C ATOM 496 C GLN A 64 -7.432 -9.898 1.906 1.00 0.00 C ATOM 497 O GLN A 64 -6.858 -8.813 1.748 1.00 0.00 O ATOM 498 CB GLN A 64 -9.462 -9.967 3.569 1.00 0.00 C ATOM 499 CG GLN A 64 -9.907 -8.492 3.398 1.00 0.00 C ATOM 500 CD GLN A 64 -10.720 -8.258 2.113 1.00 0.00 C ATOM 501 OE1 GLN A 64 -10.169 -8.094 1.026 1.00 0.00 O ATOM 502 NE2 GLN A 64 -12.042 -8.271 2.207 1.00 0.00 N ATOM 0 H GLN A 64 -6.581 -8.959 4.095 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.968 -11.426 3.311 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.078 -10.577 2.908 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.697 -10.267 4.590 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.505 -8.196 4.260 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.026 -7.851 3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.487 -8.408 3.114 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.614 -8.144 1.372 1.00 0.00 H new ATOM 511 N VAL A 65 -7.628 -10.759 0.890 1.00 0.00 N ATOM 512 CA VAL A 65 -7.000 -10.608 -0.457 1.00 0.00 C ATOM 513 C VAL A 65 -7.716 -9.468 -1.252 1.00 0.00 C ATOM 514 O VAL A 65 -8.812 -9.651 -1.790 1.00 0.00 O ATOM 515 CB VAL A 65 -6.959 -11.979 -1.223 1.00 0.00 C ATOM 516 CG1 VAL A 65 -6.329 -11.872 -2.634 1.00 0.00 C ATOM 517 CG2 VAL A 65 -6.192 -13.094 -0.467 1.00 0.00 C ATOM 0 H VAL A 65 -8.225 -11.583 0.969 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.958 -10.309 -0.342 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.013 -12.247 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.331 -12.853 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.908 -11.175 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.303 -11.513 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.206 -14.010 -1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.160 -12.782 -0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.669 -13.275 0.496 1.00 0.00 H new ATOM 527 N VAL A 66 -7.048 -8.307 -1.327 1.00 0.00 N ATOM 528 CA VAL A 66 -7.522 -7.127 -2.097 1.00 0.00 C ATOM 529 C VAL A 66 -6.769 -7.100 -3.459 1.00 0.00 C ATOM 530 O VAL A 66 -5.555 -6.869 -3.517 1.00 0.00 O ATOM 531 CB VAL A 66 -7.401 -5.777 -1.304 1.00 0.00 C ATOM 532 CG1 VAL A 66 -8.480 -5.620 -0.218 1.00 0.00 C ATOM 533 CG2 VAL A 66 -6.023 -5.470 -0.670 1.00 0.00 C ATOM 0 H VAL A 66 -6.157 -8.151 -0.855 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.592 -7.228 -2.277 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.547 -5.047 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.344 -4.668 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.467 -5.646 -0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.394 -6.435 0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.066 -4.512 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.766 -6.256 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.265 -5.425 -1.452 1.00 0.00 H new ATOM 543 N THR A 67 -7.522 -7.313 -4.556 1.00 0.00 N ATOM 544 CA THR A 67 -7.012 -7.130 -5.941 1.00 0.00 C ATOM 545 C THR A 67 -7.264 -5.642 -6.316 1.00 0.00 C ATOM 546 O THR A 67 -8.408 -5.237 -6.554 1.00 0.00 O ATOM 547 CB THR A 67 -7.693 -8.143 -6.910 1.00 0.00 C ATOM 548 OG1 THR A 67 -7.446 -9.478 -6.474 1.00 0.00 O ATOM 549 CG2 THR A 67 -7.204 -8.046 -8.368 1.00 0.00 C ATOM 0 H THR A 67 -8.495 -7.615 -4.514 1.00 0.00 H new ATOM 0 HA THR A 67 -5.945 -7.338 -6.018 1.00 0.00 H new ATOM 0 HB THR A 67 -8.753 -7.888 -6.889 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.879 -10.108 -7.087 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.726 -8.784 -8.977 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.407 -7.047 -8.754 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.132 -8.238 -8.406 1.00 0.00 H new ATOM 557 N VAL A 68 -6.181 -4.845 -6.322 1.00 0.00 N ATOM 558 CA VAL A 68 -6.248 -3.374 -6.547 1.00 0.00 C ATOM 559 C VAL A 68 -5.545 -3.031 -7.892 1.00 0.00 C ATOM 560 O VAL A 68 -4.470 -3.550 -8.207 1.00 0.00 O ATOM 561 CB VAL A 68 -5.671 -2.536 -5.346 1.00 0.00 C ATOM 562 CG1 VAL A 68 -6.392 -2.797 -4.005 1.00 0.00 C ATOM 563 CG2 VAL A 68 -4.148 -2.651 -5.117 1.00 0.00 C ATOM 0 H VAL A 68 -5.234 -5.192 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.298 -3.089 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.872 -1.518 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.940 -2.185 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.447 -2.540 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.298 -3.850 -3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.860 -2.034 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.888 -3.690 -4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.619 -2.310 -6.007 1.00 0.00 H new ATOM 573 N HIS A 69 -6.127 -2.066 -8.620 1.00 0.00 N ATOM 574 CA HIS A 69 -5.472 -1.368 -9.756 1.00 0.00 C ATOM 575 C HIS A 69 -4.338 -0.461 -9.216 1.00 0.00 C ATOM 576 O HIS A 69 -4.605 0.555 -8.573 1.00 0.00 O ATOM 577 CB HIS A 69 -6.569 -0.581 -10.515 1.00 0.00 C ATOM 578 CG HIS A 69 -6.131 0.171 -11.772 1.00 0.00 C ATOM 579 ND1 HIS A 69 -5.991 1.546 -11.852 1.00 0.00 N ATOM 580 CD2 HIS A 69 -5.913 -0.407 -13.033 1.00 0.00 C ATOM 581 CE1 HIS A 69 -5.710 1.673 -13.186 1.00 0.00 C ATOM 582 NE2 HIS A 69 -5.626 0.559 -13.987 1.00 0.00 N ATOM 0 H HIS A 69 -7.076 -1.739 -8.441 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.006 -2.065 -10.452 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.357 -1.280 -10.794 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.011 0.138 -9.825 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.962 -1.467 -13.234 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.554 2.653 -13.611 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.416 0.470 -14.981 1.00 0.00 H new ATOM 590 N LEU A 70 -3.087 -0.873 -9.468 1.00 0.00 N ATOM 591 CA LEU A 70 -1.889 -0.117 -9.030 1.00 0.00 C ATOM 592 C LEU A 70 -1.129 0.268 -10.319 1.00 0.00 C ATOM 593 O LEU A 70 -0.311 -0.499 -10.835 1.00 0.00 O ATOM 594 CB LEU A 70 -1.074 -0.995 -8.037 1.00 0.00 C ATOM 595 CG LEU A 70 0.093 -0.347 -7.244 1.00 0.00 C ATOM 596 CD1 LEU A 70 1.316 0.050 -8.095 1.00 0.00 C ATOM 597 CD2 LEU A 70 -0.372 0.822 -6.358 1.00 0.00 C ATOM 0 H LEU A 70 -2.871 -1.731 -9.976 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.119 0.798 -8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.775 -1.409 -7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.664 -1.834 -8.599 1.00 0.00 H new ATOM 0 HG LEU A 70 0.441 -1.149 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.077 0.494 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.723 -0.836 -8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.013 0.773 -8.852 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.484 1.238 -5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.822 1.594 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.107 0.463 -5.638 1.00 0.00 H new ATOM 609 N GLN A 71 -1.426 1.464 -10.842 1.00 0.00 N ATOM 610 CA GLN A 71 -0.903 1.911 -12.157 1.00 0.00 C ATOM 611 C GLN A 71 0.387 2.738 -11.919 1.00 0.00 C ATOM 612 O GLN A 71 0.320 3.892 -11.483 1.00 0.00 O ATOM 613 CB GLN A 71 -2.028 2.681 -12.900 1.00 0.00 C ATOM 614 CG GLN A 71 -1.834 2.863 -14.419 1.00 0.00 C ATOM 615 CD GLN A 71 -0.735 3.864 -14.802 1.00 0.00 C ATOM 616 OE1 GLN A 71 -0.897 5.075 -14.661 1.00 0.00 O ATOM 617 NE2 GLN A 71 0.402 3.381 -15.277 1.00 0.00 N ATOM 0 H GLN A 71 -2.026 2.147 -10.380 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.622 1.077 -12.800 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.970 2.158 -12.734 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.127 3.667 -12.446 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.597 1.895 -14.861 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.777 3.192 -14.857 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.521 2.374 -15.388 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.159 4.016 -15.532 1.00 0.00 H new ATOM 626 N THR A 72 1.554 2.139 -12.226 1.00 0.00 N ATOM 627 CA THR A 72 2.877 2.752 -11.927 1.00 0.00 C ATOM 628 C THR A 72 3.283 3.723 -13.084 1.00 0.00 C ATOM 629 O THR A 72 3.742 3.293 -14.149 1.00 0.00 O ATOM 630 CB THR A 72 3.930 1.625 -11.668 1.00 0.00 C ATOM 631 OG1 THR A 72 3.464 0.711 -10.677 1.00 0.00 O ATOM 632 CG2 THR A 72 5.304 2.132 -11.195 1.00 0.00 C ATOM 0 H THR A 72 1.614 1.229 -12.682 1.00 0.00 H new ATOM 0 HA THR A 72 2.825 3.352 -11.018 1.00 0.00 H new ATOM 0 HB THR A 72 4.055 1.149 -12.641 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.137 0.014 -10.532 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.971 1.284 -11.040 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.728 2.794 -11.951 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.188 2.678 -10.259 1.00 0.00 H new ATOM 640 N SER A 73 3.107 5.032 -12.834 1.00 0.00 N ATOM 641 CA SER A 73 3.597 6.130 -13.714 1.00 0.00 C ATOM 642 C SER A 73 4.551 7.062 -12.913 1.00 0.00 C ATOM 643 O SER A 73 4.486 7.142 -11.684 1.00 0.00 O ATOM 644 CB SER A 73 2.399 6.935 -14.272 1.00 0.00 C ATOM 645 OG SER A 73 1.699 6.184 -15.252 1.00 0.00 O ATOM 0 H SER A 73 2.615 5.371 -12.007 1.00 0.00 H new ATOM 0 HA SER A 73 4.147 5.700 -14.551 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.723 7.200 -13.459 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.754 7.869 -14.708 1.00 0.00 H new ATOM 0 HG SER A 73 0.815 5.939 -14.907 1.00 0.00 H new ATOM 651 N LEU A 74 5.433 7.792 -13.622 1.00 0.00 N ATOM 652 CA LEU A 74 6.502 8.612 -12.991 1.00 0.00 C ATOM 653 C LEU A 74 6.057 10.103 -12.921 1.00 0.00 C ATOM 654 O LEU A 74 6.104 10.824 -13.922 1.00 0.00 O ATOM 655 CB LEU A 74 7.828 8.363 -13.772 1.00 0.00 C ATOM 656 CG LEU A 74 9.151 8.721 -13.041 1.00 0.00 C ATOM 657 CD1 LEU A 74 10.345 7.996 -13.697 1.00 0.00 C ATOM 658 CD2 LEU A 74 9.444 10.235 -12.977 1.00 0.00 C ATOM 0 H LEU A 74 5.431 7.835 -14.641 1.00 0.00 H new ATOM 0 HA LEU A 74 6.683 8.322 -11.956 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.867 7.309 -14.047 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.788 8.934 -14.700 1.00 0.00 H new ATOM 0 HG LEU A 74 9.016 8.383 -12.013 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.263 8.259 -13.172 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.191 6.918 -13.642 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.425 8.298 -14.741 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.384 10.402 -12.451 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.518 10.634 -13.989 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.637 10.740 -12.446 1.00 0.00 H new ATOM 670 N GLU A 75 5.663 10.538 -11.706 1.00 0.00 N ATOM 671 CA GLU A 75 5.407 11.966 -11.341 1.00 0.00 C ATOM 672 C GLU A 75 4.172 12.658 -12.000 1.00 0.00 C ATOM 673 O GLU A 75 3.117 12.755 -11.360 1.00 0.00 O ATOM 674 CB GLU A 75 6.731 12.789 -11.276 1.00 0.00 C ATOM 675 CG GLU A 75 6.640 14.122 -10.491 1.00 0.00 C ATOM 676 CD GLU A 75 7.975 14.831 -10.347 1.00 0.00 C ATOM 677 OE1 GLU A 75 8.692 14.559 -9.362 1.00 0.00 O ATOM 678 OE2 GLU A 75 8.300 15.674 -11.207 1.00 0.00 O ATOM 0 H GLU A 75 5.508 9.899 -10.926 1.00 0.00 H new ATOM 0 HA GLU A 75 5.032 11.940 -10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.503 12.169 -10.820 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.056 13.006 -12.294 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.938 14.785 -10.996 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.234 13.924 -9.499 1.00 0.00 H new ATOM 685 N ASN A 76 4.314 13.158 -13.240 1.00 0.00 N ATOM 686 CA ASN A 76 3.216 13.851 -13.974 1.00 0.00 C ATOM 687 C ASN A 76 2.844 13.099 -15.287 1.00 0.00 C ATOM 688 O ASN A 76 2.943 13.647 -16.390 1.00 0.00 O ATOM 689 CB ASN A 76 3.549 15.368 -14.129 1.00 0.00 C ATOM 690 CG ASN A 76 4.808 15.767 -14.936 1.00 0.00 C ATOM 691 OD1 ASN A 76 4.745 16.006 -16.141 1.00 0.00 O ATOM 692 ND2 ASN A 76 5.965 15.853 -14.295 1.00 0.00 N ATOM 0 H ASN A 76 5.185 13.099 -13.768 1.00 0.00 H new ATOM 0 HA ASN A 76 2.295 13.819 -13.391 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.690 15.851 -14.595 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.648 15.790 -13.129 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.810 16.119 -14.801 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.010 15.654 -13.296 1.00 0.00 H new ATOM 699 N GLY A 77 2.382 11.839 -15.151 1.00 0.00 N ATOM 700 CA GLY A 77 1.926 11.013 -16.291 1.00 0.00 C ATOM 701 C GLY A 77 3.011 10.602 -17.308 1.00 0.00 C ATOM 702 O GLY A 77 2.952 11.028 -18.465 1.00 0.00 O ATOM 0 H GLY A 77 2.314 11.365 -14.250 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.465 10.108 -15.896 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.148 11.561 -16.822 1.00 0.00 H new ATOM 706 N THR A 78 3.971 9.766 -16.874 1.00 0.00 N ATOM 707 CA THR A 78 4.996 9.171 -17.774 1.00 0.00 C ATOM 708 C THR A 78 4.890 7.642 -17.530 1.00 0.00 C ATOM 709 O THR A 78 5.437 7.122 -16.552 1.00 0.00 O ATOM 710 CB THR A 78 6.395 9.798 -17.497 1.00 0.00 C ATOM 711 OG1 THR A 78 6.351 11.207 -17.712 1.00 0.00 O ATOM 712 CG2 THR A 78 7.521 9.236 -18.382 1.00 0.00 C ATOM 0 H THR A 78 4.065 9.481 -15.899 1.00 0.00 H new ATOM 0 HA THR A 78 4.837 9.377 -18.833 1.00 0.00 H new ATOM 0 HB THR A 78 6.621 9.545 -16.461 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.234 11.593 -17.534 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.462 9.724 -18.127 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.612 8.162 -18.217 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.288 9.423 -19.430 1.00 0.00 H new ATOM 720 N ARG A 79 4.141 6.942 -18.403 1.00 0.00 N ATOM 721 CA ARG A 79 3.674 5.553 -18.139 1.00 0.00 C ATOM 722 C ARG A 79 4.793 4.489 -18.374 1.00 0.00 C ATOM 723 O ARG A 79 5.034 4.050 -19.505 1.00 0.00 O ATOM 724 CB ARG A 79 2.380 5.356 -18.979 1.00 0.00 C ATOM 725 CG ARG A 79 1.615 4.034 -18.712 1.00 0.00 C ATOM 726 CD ARG A 79 0.185 3.970 -19.290 1.00 0.00 C ATOM 727 NE ARG A 79 -0.767 4.801 -18.497 1.00 0.00 N ATOM 728 CZ ARG A 79 -1.971 4.426 -18.054 1.00 0.00 C ATOM 729 NH1 ARG A 79 -2.465 3.214 -18.132 1.00 0.00 N ATOM 730 NH2 ARG A 79 -2.714 5.332 -17.485 1.00 0.00 N ATOM 0 H ARG A 79 3.841 7.312 -19.305 1.00 0.00 H new ATOM 0 HA ARG A 79 3.434 5.401 -17.087 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.708 6.192 -18.783 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.642 5.398 -20.036 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.194 3.209 -19.127 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.561 3.876 -17.635 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.195 4.314 -20.324 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.157 2.935 -19.301 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.469 5.750 -18.270 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.918 2.467 -18.559 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.397 3.019 -17.766 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.370 6.288 -17.391 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.639 5.086 -17.134 1.00 0.00 H new ATOM 744 N VAL A 80 5.462 4.100 -17.272 1.00 0.00 N ATOM 745 CA VAL A 80 6.635 3.176 -17.304 1.00 0.00 C ATOM 746 C VAL A 80 6.243 1.668 -17.379 1.00 0.00 C ATOM 747 O VAL A 80 6.783 0.951 -18.226 1.00 0.00 O ATOM 748 CB VAL A 80 7.701 3.503 -16.197 1.00 0.00 C ATOM 749 CG1 VAL A 80 8.393 4.867 -16.430 1.00 0.00 C ATOM 750 CG2 VAL A 80 7.218 3.411 -14.729 1.00 0.00 C ATOM 0 H VAL A 80 5.214 4.411 -16.333 1.00 0.00 H new ATOM 0 HA VAL A 80 7.136 3.372 -18.252 1.00 0.00 H new ATOM 0 HB VAL A 80 8.419 2.692 -16.320 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.120 5.046 -15.638 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.901 4.857 -17.394 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.646 5.660 -16.422 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.041 3.658 -14.059 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.398 4.112 -14.571 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.874 2.398 -14.522 1.00 0.00 H new ATOM 760 N GLN A 81 5.339 1.194 -16.498 1.00 0.00 N ATOM 761 CA GLN A 81 4.956 -0.240 -16.409 1.00 0.00 C ATOM 762 C GLN A 81 3.507 -0.348 -15.856 1.00 0.00 C ATOM 763 O GLN A 81 3.137 0.290 -14.864 1.00 0.00 O ATOM 764 CB GLN A 81 6.010 -0.993 -15.553 1.00 0.00 C ATOM 765 CG GLN A 81 5.857 -2.520 -15.384 1.00 0.00 C ATOM 766 CD GLN A 81 4.958 -2.968 -14.213 1.00 0.00 C ATOM 767 OE1 GLN A 81 4.844 -2.306 -13.180 1.00 0.00 O ATOM 768 NE2 GLN A 81 4.339 -4.133 -14.326 1.00 0.00 N ATOM 0 H GLN A 81 4.852 1.788 -15.827 1.00 0.00 H new ATOM 0 HA GLN A 81 4.951 -0.715 -17.390 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.991 -0.803 -15.989 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.012 -0.547 -14.559 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.453 -2.932 -16.309 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.847 -2.955 -15.247 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.434 -4.680 -15.182 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.767 -4.483 -13.557 1.00 0.00 H new ATOM 777 N GLU A 82 2.707 -1.207 -16.508 1.00 0.00 N ATOM 778 CA GLU A 82 1.289 -1.459 -16.131 1.00 0.00 C ATOM 779 C GLU A 82 1.189 -2.649 -15.118 1.00 0.00 C ATOM 780 O GLU A 82 1.431 -3.803 -15.488 1.00 0.00 O ATOM 781 CB GLU A 82 0.479 -1.762 -17.430 1.00 0.00 C ATOM 782 CG GLU A 82 0.347 -0.619 -18.477 1.00 0.00 C ATOM 783 CD GLU A 82 -0.666 0.477 -18.190 1.00 0.00 C ATOM 784 OE1 GLU A 82 -0.711 1.007 -17.065 1.00 0.00 O ATOM 785 OE2 GLU A 82 -1.388 0.882 -19.123 1.00 0.00 O ATOM 0 H GLU A 82 3.016 -1.751 -17.313 1.00 0.00 H new ATOM 0 HA GLU A 82 0.875 -0.579 -15.639 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.941 -2.618 -17.923 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.525 -2.067 -17.137 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.325 -0.152 -18.592 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.094 -1.069 -19.437 1.00 0.00 H new ATOM 792 N GLU A 83 0.787 -2.383 -13.855 1.00 0.00 N ATOM 793 CA GLU A 83 0.541 -3.455 -12.836 1.00 0.00 C ATOM 794 C GLU A 83 -0.981 -3.480 -12.396 1.00 0.00 C ATOM 795 O GLU A 83 -1.268 -3.127 -11.245 1.00 0.00 O ATOM 796 CB GLU A 83 1.599 -3.230 -11.701 1.00 0.00 C ATOM 797 CG GLU A 83 1.783 -4.381 -10.673 1.00 0.00 C ATOM 798 CD GLU A 83 2.780 -4.110 -9.538 1.00 0.00 C ATOM 799 OE1 GLU A 83 2.462 -3.306 -8.638 1.00 0.00 O ATOM 800 OE2 GLU A 83 3.857 -4.747 -9.489 1.00 0.00 O ATOM 0 H GLU A 83 0.623 -1.438 -13.507 1.00 0.00 H new ATOM 0 HA GLU A 83 0.687 -4.464 -13.222 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.564 -3.037 -12.170 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.324 -2.328 -11.155 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.812 -4.608 -10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.106 -5.273 -11.209 1.00 0.00 H new ATOM 807 N PRO A 84 -1.998 -3.880 -13.235 1.00 0.00 N ATOM 808 CA PRO A 84 -3.441 -3.746 -12.891 1.00 0.00 C ATOM 809 C PRO A 84 -3.980 -4.772 -11.851 1.00 0.00 C ATOM 810 O PRO A 84 -4.508 -4.335 -10.832 1.00 0.00 O ATOM 811 CB PRO A 84 -4.147 -3.763 -14.260 1.00 0.00 C ATOM 812 CG PRO A 84 -3.217 -4.547 -15.182 1.00 0.00 C ATOM 813 CD PRO A 84 -1.814 -4.239 -14.656 1.00 0.00 C ATOM 0 HA PRO A 84 -3.640 -2.825 -12.343 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.126 -4.238 -14.192 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.309 -2.751 -14.632 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.429 -5.615 -15.146 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.330 -4.234 -16.220 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.157 -5.102 -14.761 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -1.357 -3.421 -15.212 1.00 0.00 H new ATOM 821 N GLU A 85 -3.840 -6.101 -12.037 1.00 0.00 N ATOM 822 CA GLU A 85 -4.038 -7.087 -10.933 1.00 0.00 C ATOM 823 C GLU A 85 -2.788 -7.194 -9.991 1.00 0.00 C ATOM 824 O GLU A 85 -2.035 -8.175 -10.004 1.00 0.00 O ATOM 825 CB GLU A 85 -4.586 -8.440 -11.483 1.00 0.00 C ATOM 826 CG GLU A 85 -3.740 -9.244 -12.510 1.00 0.00 C ATOM 827 CD GLU A 85 -3.744 -8.684 -13.924 1.00 0.00 C ATOM 828 OE1 GLU A 85 -4.652 -9.028 -14.708 1.00 0.00 O ATOM 829 OE2 GLU A 85 -2.847 -7.877 -14.241 1.00 0.00 O ATOM 0 H GLU A 85 -3.592 -6.523 -12.932 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.819 -6.715 -10.269 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.768 -9.091 -10.628 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.554 -8.239 -11.942 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.710 -9.287 -12.155 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.110 -10.269 -12.540 1.00 0.00 H new ATOM 836 N LEU A 86 -2.637 -6.180 -9.111 1.00 0.00 N ATOM 837 CA LEU A 86 -1.701 -6.226 -7.958 1.00 0.00 C ATOM 838 C LEU A 86 -2.461 -6.921 -6.797 1.00 0.00 C ATOM 839 O LEU A 86 -3.282 -6.311 -6.102 1.00 0.00 O ATOM 840 CB LEU A 86 -1.184 -4.787 -7.655 1.00 0.00 C ATOM 841 CG LEU A 86 -0.148 -4.545 -6.515 1.00 0.00 C ATOM 842 CD1 LEU A 86 -0.795 -4.356 -5.140 1.00 0.00 C ATOM 843 CD2 LEU A 86 0.981 -5.581 -6.388 1.00 0.00 C ATOM 0 H LEU A 86 -3.158 -5.306 -9.177 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.798 -6.806 -8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.746 -4.401 -8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.056 -4.171 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 86 0.317 -3.615 -6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.019 -4.192 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.461 -3.494 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.366 -5.248 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.636 -5.305 -5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.552 -6.565 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.556 -5.608 -7.314 1.00 0.00 H new ATOM 855 N VAL A 87 -2.194 -8.231 -6.653 1.00 0.00 N ATOM 856 CA VAL A 87 -2.937 -9.124 -5.727 1.00 0.00 C ATOM 857 C VAL A 87 -2.067 -9.211 -4.445 1.00 0.00 C ATOM 858 O VAL A 87 -0.995 -9.828 -4.452 1.00 0.00 O ATOM 859 CB VAL A 87 -3.223 -10.521 -6.384 1.00 0.00 C ATOM 860 CG1 VAL A 87 -3.971 -11.488 -5.435 1.00 0.00 C ATOM 861 CG2 VAL A 87 -4.038 -10.438 -7.697 1.00 0.00 C ATOM 0 H VAL A 87 -1.457 -8.707 -7.173 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.926 -8.736 -5.484 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.227 -10.904 -6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.141 -12.437 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.371 -11.657 -4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.929 -11.051 -5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.196 -11.442 -8.091 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.002 -9.971 -7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.491 -9.843 -8.428 1.00 0.00 H new ATOM 871 N PHE A 88 -2.548 -8.580 -3.361 1.00 0.00 N ATOM 872 CA PHE A 88 -1.861 -8.602 -2.047 1.00 0.00 C ATOM 873 C PHE A 88 -2.907 -8.846 -0.930 1.00 0.00 C ATOM 874 O PHE A 88 -3.980 -8.232 -0.912 1.00 0.00 O ATOM 875 CB PHE A 88 -0.966 -7.339 -1.830 1.00 0.00 C ATOM 876 CG PHE A 88 -1.608 -6.018 -1.342 1.00 0.00 C ATOM 877 CD1 PHE A 88 -2.422 -5.250 -2.182 1.00 0.00 C ATOM 878 CD2 PHE A 88 -1.351 -5.561 -0.043 1.00 0.00 C ATOM 879 CE1 PHE A 88 -2.946 -4.038 -1.740 1.00 0.00 C ATOM 880 CE2 PHE A 88 -1.901 -4.364 0.408 1.00 0.00 C ATOM 881 CZ PHE A 88 -2.691 -3.600 -0.445 1.00 0.00 C ATOM 0 H PHE A 88 -3.415 -8.043 -3.364 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.155 -9.432 -2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.191 -7.609 -1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.466 -7.128 -2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.645 -5.599 -3.179 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.721 -6.142 0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.551 -3.438 -2.403 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.715 -4.029 1.418 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.107 -2.665 -0.101 1.00 0.00 H new ATOM 891 N THR A 89 -2.530 -9.675 0.059 1.00 0.00 N ATOM 892 CA THR A 89 -3.241 -9.742 1.367 1.00 0.00 C ATOM 893 C THR A 89 -2.971 -8.412 2.135 1.00 0.00 C ATOM 894 O THR A 89 -1.833 -7.936 2.190 1.00 0.00 O ATOM 895 CB THR A 89 -2.793 -11.009 2.154 1.00 0.00 C ATOM 896 OG1 THR A 89 -2.979 -12.179 1.359 1.00 0.00 O ATOM 897 CG2 THR A 89 -3.559 -11.239 3.469 1.00 0.00 C ATOM 0 H THR A 89 -1.737 -10.312 -0.014 1.00 0.00 H new ATOM 0 HA THR A 89 -4.318 -9.839 1.229 1.00 0.00 H new ATOM 0 HB THR A 89 -1.744 -10.830 2.392 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.692 -12.967 1.865 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.186 -12.141 3.954 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.413 -10.384 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.622 -11.355 3.256 1.00 0.00 H new ATOM 905 N LEU A 90 -4.033 -7.796 2.684 1.00 0.00 N ATOM 906 CA LEU A 90 -3.964 -6.421 3.252 1.00 0.00 C ATOM 907 C LEU A 90 -3.112 -6.438 4.556 1.00 0.00 C ATOM 908 O LEU A 90 -3.492 -7.062 5.551 1.00 0.00 O ATOM 909 CB LEU A 90 -5.412 -5.878 3.432 1.00 0.00 C ATOM 910 CG LEU A 90 -5.586 -4.332 3.438 1.00 0.00 C ATOM 911 CD1 LEU A 90 -7.061 -3.969 3.183 1.00 0.00 C ATOM 912 CD2 LEU A 90 -5.101 -3.626 4.721 1.00 0.00 C ATOM 0 H LEU A 90 -4.957 -8.224 2.750 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.457 -5.730 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.030 -6.286 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.807 -6.268 4.370 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.943 -3.968 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.175 -2.885 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.370 -4.361 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.683 -4.403 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.264 -2.552 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.658 -4.006 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.038 -3.821 4.864 1.00 0.00 H new ATOM 924 N GLY A 91 -1.912 -5.838 4.477 1.00 0.00 N ATOM 925 CA GLY A 91 -0.836 -6.078 5.465 1.00 0.00 C ATOM 926 C GLY A 91 -0.031 -7.356 5.163 1.00 0.00 C ATOM 927 O GLY A 91 -0.288 -8.398 5.772 1.00 0.00 O ATOM 0 H GLY A 91 -1.658 -5.181 3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.161 -5.222 5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.272 -6.154 6.461 1.00 0.00 H new ATOM 931 N ASP A 92 0.922 -7.268 4.216 1.00 0.00 N ATOM 932 CA ASP A 92 1.772 -8.420 3.795 1.00 0.00 C ATOM 933 C ASP A 92 3.187 -7.928 3.333 1.00 0.00 C ATOM 934 O ASP A 92 3.403 -6.752 2.996 1.00 0.00 O ATOM 935 CB ASP A 92 0.997 -9.229 2.716 1.00 0.00 C ATOM 936 CG ASP A 92 1.546 -10.621 2.422 1.00 0.00 C ATOM 937 OD1 ASP A 92 1.338 -11.533 3.250 1.00 0.00 O ATOM 938 OD2 ASP A 92 2.196 -10.801 1.372 1.00 0.00 O ATOM 0 H ASP A 92 1.131 -6.403 3.717 1.00 0.00 H new ATOM 0 HA ASP A 92 1.968 -9.090 4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.041 -9.326 3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.993 -8.655 1.789 1.00 0.00 H new ATOM 943 N CYS A 93 4.155 -8.864 3.319 1.00 0.00 N ATOM 944 CA CYS A 93 5.565 -8.586 2.929 1.00 0.00 C ATOM 945 C CYS A 93 5.783 -8.532 1.382 1.00 0.00 C ATOM 946 O CYS A 93 6.407 -9.407 0.773 1.00 0.00 O ATOM 947 CB CYS A 93 6.456 -9.623 3.648 1.00 0.00 C ATOM 948 SG CYS A 93 6.059 -11.324 3.109 1.00 0.00 S ATOM 0 H CYS A 93 3.989 -9.837 3.577 1.00 0.00 H new ATOM 0 HA CYS A 93 5.846 -7.583 3.249 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.505 -9.409 3.443 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.319 -9.539 4.726 1.00 0.00 H new ATOM 0 HG CYS A 93 5.983 -11.361 1.812 1.00 0.00 H new ATOM 954 N ASP A 94 5.257 -7.457 0.769 1.00 0.00 N ATOM 955 CA ASP A 94 5.366 -7.181 -0.693 1.00 0.00 C ATOM 956 C ASP A 94 5.346 -5.642 -0.951 1.00 0.00 C ATOM 957 O ASP A 94 6.308 -5.098 -1.510 1.00 0.00 O ATOM 958 CB ASP A 94 4.273 -7.955 -1.492 1.00 0.00 C ATOM 959 CG ASP A 94 4.359 -7.762 -3.008 1.00 0.00 C ATOM 960 OD1 ASP A 94 5.160 -8.456 -3.664 1.00 0.00 O ATOM 961 OD2 ASP A 94 3.686 -6.866 -3.566 1.00 0.00 O ATOM 0 H ASP A 94 4.735 -6.740 1.273 1.00 0.00 H new ATOM 0 HA ASP A 94 6.323 -7.552 -1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.356 -9.018 -1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.290 -7.632 -1.150 1.00 0.00 H new ATOM 966 N VAL A 95 4.230 -4.967 -0.602 1.00 0.00 N ATOM 967 CA VAL A 95 3.909 -3.616 -1.125 1.00 0.00 C ATOM 968 C VAL A 95 4.654 -2.491 -0.347 1.00 0.00 C ATOM 969 O VAL A 95 5.077 -2.632 0.806 1.00 0.00 O ATOM 970 CB VAL A 95 2.362 -3.372 -1.234 1.00 0.00 C ATOM 971 CG1 VAL A 95 1.644 -4.389 -2.145 1.00 0.00 C ATOM 972 CG2 VAL A 95 1.613 -3.244 0.109 1.00 0.00 C ATOM 0 H VAL A 95 3.531 -5.336 0.043 1.00 0.00 H new ATOM 0 HA VAL A 95 4.288 -3.573 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 95 2.316 -2.389 -1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.578 -4.162 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.056 -4.330 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.789 -5.395 -1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.553 -3.078 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.739 -4.161 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.017 -2.403 0.672 1.00 0.00 H new ATOM 982 N ILE A 96 4.755 -1.350 -1.033 1.00 0.00 N ATOM 983 CA ILE A 96 5.373 -0.105 -0.520 1.00 0.00 C ATOM 984 C ILE A 96 4.589 0.544 0.662 1.00 0.00 C ATOM 985 O ILE A 96 3.366 0.419 0.783 1.00 0.00 O ATOM 986 CB ILE A 96 5.601 0.897 -1.710 1.00 0.00 C ATOM 987 CG1 ILE A 96 4.386 1.306 -2.603 1.00 0.00 C ATOM 988 CG2 ILE A 96 6.822 0.492 -2.557 1.00 0.00 C ATOM 989 CD1 ILE A 96 3.837 0.308 -3.640 1.00 0.00 C ATOM 0 H ILE A 96 4.403 -1.254 -1.986 1.00 0.00 H new ATOM 0 HA ILE A 96 6.339 -0.371 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 96 5.791 1.829 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.565 1.569 -1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.665 2.213 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.952 1.205 -3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.714 0.489 -1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.665 -0.505 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.996 0.758 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 96 4.622 0.056 -4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.504 -0.597 -3.133 1.00 0.00 H new ATOM 1001 N GLN A 97 5.337 1.284 1.504 1.00 0.00 N ATOM 1002 CA GLN A 97 4.773 2.178 2.550 1.00 0.00 C ATOM 1003 C GLN A 97 3.805 3.300 2.041 1.00 0.00 C ATOM 1004 O GLN A 97 2.831 3.609 2.729 1.00 0.00 O ATOM 1005 CB GLN A 97 5.995 2.749 3.325 1.00 0.00 C ATOM 1006 CG GLN A 97 5.689 3.433 4.672 1.00 0.00 C ATOM 1007 CD GLN A 97 5.293 2.472 5.808 1.00 0.00 C ATOM 1008 OE1 GLN A 97 6.146 1.894 6.481 1.00 0.00 O ATOM 1009 NE2 GLN A 97 4.006 2.274 6.044 1.00 0.00 N ATOM 0 H GLN A 97 6.357 1.282 1.482 1.00 0.00 H new ATOM 0 HA GLN A 97 4.112 1.595 3.191 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.696 1.935 3.506 1.00 0.00 H new ATOM 0 HB3 GLN A 97 6.502 3.469 2.683 1.00 0.00 H new ATOM 0 HG2 GLN A 97 6.567 4.000 4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.882 4.151 4.524 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.304 2.756 5.482 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.716 1.639 6.788 1.00 0.00 H new ATOM 1018 N ALA A 98 4.039 3.849 0.830 1.00 0.00 N ATOM 1019 CA ALA A 98 3.040 4.644 0.072 1.00 0.00 C ATOM 1020 C ALA A 98 1.622 4.020 -0.116 1.00 0.00 C ATOM 1021 O ALA A 98 0.626 4.708 0.119 1.00 0.00 O ATOM 1022 CB ALA A 98 3.666 4.943 -1.302 1.00 0.00 C ATOM 0 H ALA A 98 4.931 3.754 0.345 1.00 0.00 H new ATOM 0 HA ALA A 98 2.836 5.530 0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.968 5.528 -1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.589 5.507 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.885 4.006 -1.814 1.00 0.00 H new ATOM 1028 N LEU A 99 1.540 2.730 -0.513 1.00 0.00 N ATOM 1029 CA LEU A 99 0.260 1.989 -0.664 1.00 0.00 C ATOM 1030 C LEU A 99 -0.441 1.725 0.704 1.00 0.00 C ATOM 1031 O LEU A 99 -1.574 2.174 0.872 1.00 0.00 O ATOM 1032 CB LEU A 99 0.483 0.669 -1.478 1.00 0.00 C ATOM 1033 CG LEU A 99 -0.552 0.323 -2.583 1.00 0.00 C ATOM 1034 CD1 LEU A 99 -0.188 -1.016 -3.255 1.00 0.00 C ATOM 1035 CD2 LEU A 99 -2.017 0.264 -2.100 1.00 0.00 C ATOM 0 H LEU A 99 2.361 2.169 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.423 2.622 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.467 0.724 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.511 -0.161 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.496 1.148 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.922 -1.247 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.802 -0.940 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.186 -1.810 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.667 0.016 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.115 -0.499 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.305 1.233 -1.692 1.00 0.00 H new ATOM 1047 N ASP A 100 0.220 1.046 1.669 1.00 0.00 N ATOM 1048 CA ASP A 100 -0.374 0.704 2.998 1.00 0.00 C ATOM 1049 C ASP A 100 -0.876 1.897 3.889 1.00 0.00 C ATOM 1050 O ASP A 100 -1.895 1.740 4.566 1.00 0.00 O ATOM 1051 CB ASP A 100 0.646 -0.223 3.715 1.00 0.00 C ATOM 1052 CG ASP A 100 0.064 -1.025 4.880 1.00 0.00 C ATOM 1053 OD1 ASP A 100 -0.091 -0.482 5.993 1.00 0.00 O ATOM 1054 OD2 ASP A 100 -0.266 -2.216 4.703 1.00 0.00 O ATOM 0 H ASP A 100 1.179 0.717 1.557 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.323 0.198 2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.063 -0.917 2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.472 0.384 4.085 1.00 0.00 H new ATOM 1059 N LEU A 101 -0.215 3.074 3.856 1.00 0.00 N ATOM 1060 CA LEU A 101 -0.755 4.338 4.445 1.00 0.00 C ATOM 1061 C LEU A 101 -1.987 4.952 3.694 1.00 0.00 C ATOM 1062 O LEU A 101 -2.900 5.451 4.358 1.00 0.00 O ATOM 1063 CB LEU A 101 0.376 5.396 4.581 1.00 0.00 C ATOM 1064 CG LEU A 101 1.535 5.079 5.566 1.00 0.00 C ATOM 1065 CD1 LEU A 101 2.683 6.087 5.386 1.00 0.00 C ATOM 1066 CD2 LEU A 101 1.101 5.046 7.047 1.00 0.00 C ATOM 0 H LEU A 101 0.703 3.184 3.425 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.134 4.054 5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.808 5.557 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.079 6.338 4.887 1.00 0.00 H new ATOM 0 HG LEU A 101 1.872 4.073 5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.487 5.851 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.060 6.031 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.317 7.095 5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.963 4.819 7.674 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.694 6.017 7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.339 4.279 7.186 1.00 0.00 H new ATOM 1078 N SER A 102 -2.032 4.902 2.346 1.00 0.00 N ATOM 1079 CA SER A 102 -3.242 5.264 1.546 1.00 0.00 C ATOM 1080 C SER A 102 -4.468 4.287 1.614 1.00 0.00 C ATOM 1081 O SER A 102 -5.582 4.715 1.301 1.00 0.00 O ATOM 1082 CB SER A 102 -2.842 5.457 0.065 1.00 0.00 C ATOM 1083 OG SER A 102 -1.775 6.389 -0.077 1.00 0.00 O ATOM 0 H SER A 102 -1.238 4.612 1.775 1.00 0.00 H new ATOM 0 HA SER A 102 -3.597 6.181 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.546 4.498 -0.360 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.706 5.804 -0.503 1.00 0.00 H new ATOM 0 HG SER A 102 -0.918 5.916 -0.023 1.00 0.00 H new ATOM 1089 N VAL A 103 -4.281 3.007 2.010 1.00 0.00 N ATOM 1090 CA VAL A 103 -5.370 1.998 2.172 1.00 0.00 C ATOM 1091 C VAL A 103 -6.426 2.380 3.279 1.00 0.00 C ATOM 1092 O VAL A 103 -7.606 2.389 2.914 1.00 0.00 O ATOM 1093 CB VAL A 103 -4.768 0.553 2.262 1.00 0.00 C ATOM 1094 CG1 VAL A 103 -5.773 -0.538 2.688 1.00 0.00 C ATOM 1095 CG2 VAL A 103 -4.146 0.081 0.924 1.00 0.00 C ATOM 0 H VAL A 103 -3.358 2.634 2.231 1.00 0.00 H new ATOM 0 HA VAL A 103 -5.984 2.003 1.271 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.008 0.661 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.269 -1.504 2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.171 -0.301 3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.590 -0.581 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.745 -0.925 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.912 0.076 0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.343 0.760 0.637 1.00 0.00 H new ATOM 1105 N PRO A 104 -6.115 2.720 4.570 1.00 0.00 N ATOM 1106 CA PRO A 104 -7.120 3.253 5.538 1.00 0.00 C ATOM 1107 C PRO A 104 -7.699 4.695 5.301 1.00 0.00 C ATOM 1108 O PRO A 104 -8.429 5.190 6.164 1.00 0.00 O ATOM 1109 CB PRO A 104 -6.362 3.119 6.877 1.00 0.00 C ATOM 1110 CG PRO A 104 -4.884 3.255 6.519 1.00 0.00 C ATOM 1111 CD PRO A 104 -4.779 2.566 5.165 1.00 0.00 C ATOM 0 HA PRO A 104 -8.054 2.697 5.458 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.669 3.892 7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.565 2.158 7.350 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -4.580 4.300 6.462 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.246 2.778 7.262 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -4.012 3.027 4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.512 1.515 5.274 1.00 0.00 H new ATOM 1119 N LEU A 105 -7.447 5.326 4.137 1.00 0.00 N ATOM 1120 CA LEU A 105 -8.263 6.448 3.599 1.00 0.00 C ATOM 1121 C LEU A 105 -9.263 5.957 2.497 1.00 0.00 C ATOM 1122 O LEU A 105 -10.428 6.366 2.532 1.00 0.00 O ATOM 1123 CB LEU A 105 -7.365 7.601 3.061 1.00 0.00 C ATOM 1124 CG LEU A 105 -6.593 8.454 4.110 1.00 0.00 C ATOM 1125 CD1 LEU A 105 -5.255 7.823 4.552 1.00 0.00 C ATOM 1126 CD2 LEU A 105 -6.321 9.877 3.578 1.00 0.00 C ATOM 0 H LEU A 105 -6.665 5.073 3.533 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.850 6.843 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.636 7.169 2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.993 8.273 2.476 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.245 8.495 4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.771 8.471 5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.443 6.847 5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.605 7.705 3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.781 10.450 4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.722 9.817 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.268 10.370 3.357 1.00 0.00 H new ATOM 1138 N MET A 106 -8.827 5.128 1.518 1.00 0.00 N ATOM 1139 CA MET A 106 -9.660 4.718 0.354 1.00 0.00 C ATOM 1140 C MET A 106 -10.711 3.631 0.712 1.00 0.00 C ATOM 1141 O MET A 106 -10.371 2.584 1.272 1.00 0.00 O ATOM 1142 CB MET A 106 -8.760 4.305 -0.846 1.00 0.00 C ATOM 1143 CG MET A 106 -7.937 3.009 -0.754 1.00 0.00 C ATOM 1144 SD MET A 106 -8.943 1.584 -1.217 1.00 0.00 S ATOM 1145 CE MET A 106 -7.767 0.246 -0.936 1.00 0.00 C ATOM 0 H MET A 106 -7.891 4.724 1.510 1.00 0.00 H new ATOM 0 HA MET A 106 -10.242 5.588 0.050 1.00 0.00 H new ATOM 0 HB2 MET A 106 -9.400 4.226 -1.725 1.00 0.00 H new ATOM 0 HB3 MET A 106 -8.064 5.123 -1.031 1.00 0.00 H new ATOM 0 HG2 MET A 106 -7.068 3.076 -1.409 1.00 0.00 H new ATOM 0 HG3 MET A 106 -7.561 2.881 0.261 1.00 0.00 H new ATOM 0 HE1 MET A 106 -8.000 -0.588 -1.598 1.00 0.00 H new ATOM 0 HE2 MET A 106 -6.757 0.600 -1.141 1.00 0.00 H new ATOM 0 HE3 MET A 106 -7.832 -0.084 0.101 1.00 0.00 H new ATOM 1155 N ASP A 107 -11.975 3.890 0.338 1.00 0.00 N ATOM 1156 CA ASP A 107 -13.094 2.917 0.513 1.00 0.00 C ATOM 1157 C ASP A 107 -13.324 2.071 -0.798 1.00 0.00 C ATOM 1158 O ASP A 107 -12.359 1.751 -1.506 1.00 0.00 O ATOM 1159 CB ASP A 107 -14.318 3.694 1.086 1.00 0.00 C ATOM 1160 CG ASP A 107 -14.161 4.342 2.461 1.00 0.00 C ATOM 1161 OD1 ASP A 107 -14.085 3.623 3.478 1.00 0.00 O ATOM 1162 OD2 ASP A 107 -14.086 5.583 2.550 1.00 0.00 O ATOM 0 H ASP A 107 -12.260 4.770 -0.092 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.865 2.143 1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -14.584 4.476 0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -15.162 3.005 1.133 1.00 0.00 H new ATOM 1167 N VAL A 108 -14.576 1.658 -1.110 1.00 0.00 N ATOM 1168 CA VAL A 108 -14.887 0.850 -2.331 1.00 0.00 C ATOM 1169 C VAL A 108 -14.917 1.764 -3.593 1.00 0.00 C ATOM 1170 O VAL A 108 -15.629 2.774 -3.636 1.00 0.00 O ATOM 1171 CB VAL A 108 -16.147 -0.075 -2.214 1.00 0.00 C ATOM 1172 CG1 VAL A 108 -15.979 -1.182 -1.150 1.00 0.00 C ATOM 1173 CG2 VAL A 108 -17.503 0.637 -2.007 1.00 0.00 C ATOM 0 H VAL A 108 -15.393 1.868 -0.537 1.00 0.00 H new ATOM 0 HA VAL A 108 -14.069 0.137 -2.438 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.194 -0.519 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -16.882 -1.791 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -15.127 -1.811 -1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -15.809 -0.726 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -18.298 -0.106 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.472 1.218 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.697 1.302 -2.849 1.00 0.00 H new ATOM 1183 N GLY A 109 -14.088 1.403 -4.587 1.00 0.00 N ATOM 1184 CA GLY A 109 -13.803 2.266 -5.743 1.00 0.00 C ATOM 1185 C GLY A 109 -12.593 3.172 -5.450 1.00 0.00 C ATOM 1186 O GLY A 109 -11.453 2.711 -5.515 1.00 0.00 O ATOM 0 H GLY A 109 -13.599 0.508 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -13.602 1.653 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -14.676 2.877 -5.973 1.00 0.00 H new ATOM 1190 N GLU A 110 -12.880 4.451 -5.151 1.00 0.00 N ATOM 1191 CA GLU A 110 -11.885 5.570 -5.075 1.00 0.00 C ATOM 1192 C GLU A 110 -10.656 5.500 -6.047 1.00 0.00 C ATOM 1193 O GLU A 110 -9.619 4.920 -5.705 1.00 0.00 O ATOM 1194 CB GLU A 110 -11.441 5.866 -3.611 1.00 0.00 C ATOM 1195 CG GLU A 110 -10.844 7.294 -3.403 1.00 0.00 C ATOM 1196 CD GLU A 110 -9.802 7.455 -2.310 1.00 0.00 C ATOM 1197 OE1 GLU A 110 -8.629 7.099 -2.541 1.00 0.00 O ATOM 1198 OE2 GLU A 110 -10.108 7.994 -1.228 1.00 0.00 O ATOM 0 H GLU A 110 -13.831 4.758 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.456 6.417 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -12.299 5.743 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.699 5.126 -3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.399 7.615 -4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.666 7.977 -3.190 1.00 0.00 H new ATOM 1205 N THR A 111 -10.765 6.130 -7.230 1.00 0.00 N ATOM 1206 CA THR A 111 -9.591 6.341 -8.124 1.00 0.00 C ATOM 1207 C THR A 111 -8.840 7.595 -7.603 1.00 0.00 C ATOM 1208 O THR A 111 -9.401 8.695 -7.581 1.00 0.00 O ATOM 1209 CB THR A 111 -9.991 6.457 -9.622 1.00 0.00 C ATOM 1210 OG1 THR A 111 -10.787 5.341 -10.005 1.00 0.00 O ATOM 1211 CG2 THR A 111 -8.782 6.505 -10.576 1.00 0.00 C ATOM 0 H THR A 111 -11.642 6.502 -7.595 1.00 0.00 H new ATOM 0 HA THR A 111 -8.934 5.472 -8.091 1.00 0.00 H new ATOM 0 HB THR A 111 -10.538 7.396 -9.707 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.035 5.425 -10.949 1.00 0.00 H new ATOM 0 HG21 THR A 111 -9.133 6.586 -11.605 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.162 7.369 -10.335 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.194 5.594 -10.464 1.00 0.00 H new ATOM 1219 N ALA A 112 -7.595 7.395 -7.140 1.00 0.00 N ATOM 1220 CA ALA A 112 -6.811 8.463 -6.489 1.00 0.00 C ATOM 1221 C ALA A 112 -5.315 8.303 -6.831 1.00 0.00 C ATOM 1222 O ALA A 112 -4.698 7.272 -6.546 1.00 0.00 O ATOM 1223 CB ALA A 112 -7.031 8.416 -4.969 1.00 0.00 C ATOM 0 H ALA A 112 -7.107 6.502 -7.204 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.145 9.433 -6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.450 9.206 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.089 8.561 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.710 7.448 -4.585 1.00 0.00 H new ATOM 1229 N MET A 113 -4.736 9.369 -7.408 1.00 0.00 N ATOM 1230 CA MET A 113 -3.291 9.451 -7.719 1.00 0.00 C ATOM 1231 C MET A 113 -2.471 9.741 -6.430 1.00 0.00 C ATOM 1232 O MET A 113 -2.448 10.865 -5.925 1.00 0.00 O ATOM 1233 CB MET A 113 -3.113 10.498 -8.848 1.00 0.00 C ATOM 1234 CG MET A 113 -1.659 10.790 -9.261 1.00 0.00 C ATOM 1235 SD MET A 113 -1.536 11.216 -11.014 1.00 0.00 S ATOM 1236 CE MET A 113 -2.551 12.702 -11.121 1.00 0.00 C ATOM 0 H MET A 113 -5.256 10.205 -7.675 1.00 0.00 H new ATOM 0 HA MET A 113 -2.898 8.502 -8.084 1.00 0.00 H new ATOM 0 HB2 MET A 113 -3.659 10.155 -9.727 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.576 11.432 -8.529 1.00 0.00 H new ATOM 0 HG2 MET A 113 -1.267 11.610 -8.659 1.00 0.00 H new ATOM 0 HG3 MET A 113 -1.039 9.917 -9.054 1.00 0.00 H new ATOM 0 HE1 MET A 113 -2.487 13.115 -12.128 1.00 0.00 H new ATOM 0 HE2 MET A 113 -3.588 12.451 -10.897 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.193 13.440 -10.403 1.00 0.00 H new ATOM 1246 N VAL A 114 -1.797 8.690 -5.932 1.00 0.00 N ATOM 1247 CA VAL A 114 -0.954 8.754 -4.709 1.00 0.00 C ATOM 1248 C VAL A 114 0.492 9.037 -5.209 1.00 0.00 C ATOM 1249 O VAL A 114 1.208 8.119 -5.619 1.00 0.00 O ATOM 1250 CB VAL A 114 -1.125 7.427 -3.887 1.00 0.00 C ATOM 1251 CG1 VAL A 114 -0.148 7.306 -2.700 1.00 0.00 C ATOM 1252 CG2 VAL A 114 -2.561 7.233 -3.343 1.00 0.00 C ATOM 0 H VAL A 114 -1.817 7.766 -6.363 1.00 0.00 H new ATOM 0 HA VAL A 114 -1.238 9.545 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.900 6.647 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.324 6.365 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.877 7.330 -3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -0.306 8.137 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.615 6.299 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.817 8.064 -2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -3.264 7.199 -4.175 1.00 0.00 H new ATOM 1262 N THR A 115 0.903 10.316 -5.182 1.00 0.00 N ATOM 1263 CA THR A 115 2.226 10.749 -5.695 1.00 0.00 C ATOM 1264 C THR A 115 3.169 10.896 -4.472 1.00 0.00 C ATOM 1265 O THR A 115 3.056 11.827 -3.669 1.00 0.00 O ATOM 1266 CB THR A 115 2.079 11.996 -6.604 1.00 0.00 C ATOM 1267 OG1 THR A 115 1.133 11.729 -7.634 1.00 0.00 O ATOM 1268 CG2 THR A 115 3.375 12.377 -7.324 1.00 0.00 C ATOM 0 H THR A 115 0.337 11.078 -4.808 1.00 0.00 H new ATOM 0 HA THR A 115 2.684 10.014 -6.357 1.00 0.00 H new ATOM 0 HB THR A 115 1.777 12.807 -5.941 1.00 0.00 H new ATOM 0 HG1 THR A 115 0.493 12.469 -7.690 1.00 0.00 H new ATOM 0 HG21 THR A 115 3.202 13.257 -7.943 1.00 0.00 H new ATOM 0 HG22 THR A 115 4.149 12.597 -6.588 1.00 0.00 H new ATOM 0 HG23 THR A 115 3.698 11.548 -7.954 1.00 0.00 H new ATOM 1276 N ALA A 116 4.053 9.898 -4.336 1.00 0.00 N ATOM 1277 CA ALA A 116 4.767 9.601 -3.077 1.00 0.00 C ATOM 1278 C ALA A 116 6.276 9.881 -3.196 1.00 0.00 C ATOM 1279 O ALA A 116 6.889 9.608 -4.230 1.00 0.00 O ATOM 1280 CB ALA A 116 4.578 8.097 -2.817 1.00 0.00 C ATOM 0 H ALA A 116 4.298 9.267 -5.099 1.00 0.00 H new ATOM 0 HA ALA A 116 4.373 10.227 -2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.088 7.820 -1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 116 3.515 7.874 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 116 4.997 7.529 -3.647 1.00 0.00 H new ATOM 1286 N ASP A 117 6.882 10.309 -2.078 1.00 0.00 N ATOM 1287 CA ASP A 117 8.363 10.341 -1.890 1.00 0.00 C ATOM 1288 C ASP A 117 9.087 8.999 -2.278 1.00 0.00 C ATOM 1289 O ASP A 117 8.619 7.912 -1.927 1.00 0.00 O ATOM 1290 CB ASP A 117 8.507 10.763 -0.399 1.00 0.00 C ATOM 1291 CG ASP A 117 9.891 10.860 0.232 1.00 0.00 C ATOM 1292 OD1 ASP A 117 10.920 10.785 -0.467 1.00 0.00 O ATOM 1293 OD2 ASP A 117 9.951 11.011 1.470 1.00 0.00 O ATOM 0 H ASP A 117 6.365 10.648 -1.266 1.00 0.00 H new ATOM 0 HA ASP A 117 8.868 11.034 -2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 117 8.031 11.738 -0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 117 7.928 10.057 0.196 1.00 0.00 H new ATOM 1298 N SER A 118 10.204 9.094 -3.028 1.00 0.00 N ATOM 1299 CA SER A 118 11.024 7.916 -3.454 1.00 0.00 C ATOM 1300 C SER A 118 11.464 6.904 -2.346 1.00 0.00 C ATOM 1301 O SER A 118 11.403 5.695 -2.587 1.00 0.00 O ATOM 1302 CB SER A 118 12.231 8.411 -4.284 1.00 0.00 C ATOM 1303 OG SER A 118 13.181 9.107 -3.480 1.00 0.00 O ATOM 0 H SER A 118 10.572 9.985 -3.361 1.00 0.00 H new ATOM 0 HA SER A 118 10.346 7.310 -4.055 1.00 0.00 H new ATOM 0 HB2 SER A 118 12.715 7.560 -4.763 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.879 9.067 -5.080 1.00 0.00 H new ATOM 0 HG SER A 118 14.048 9.122 -3.937 1.00 0.00 H new ATOM 1309 N LYS A 119 11.838 7.374 -1.137 1.00 0.00 N ATOM 1310 CA LYS A 119 11.951 6.496 0.069 1.00 0.00 C ATOM 1311 C LYS A 119 10.660 5.722 0.519 1.00 0.00 C ATOM 1312 O LYS A 119 10.767 4.540 0.859 1.00 0.00 O ATOM 1313 CB LYS A 119 12.675 7.228 1.235 1.00 0.00 C ATOM 1314 CG LYS A 119 12.255 8.670 1.592 1.00 0.00 C ATOM 1315 CD LYS A 119 12.928 9.175 2.889 1.00 0.00 C ATOM 1316 CE LYS A 119 13.083 10.708 2.946 1.00 0.00 C ATOM 1317 NZ LYS A 119 11.778 11.352 3.240 1.00 0.00 N ATOM 0 H LYS A 119 12.068 8.352 -0.960 1.00 0.00 H new ATOM 0 HA LYS A 119 12.581 5.672 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.554 6.619 2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 119 13.740 7.244 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.514 9.336 0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.172 8.712 1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.340 8.845 3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.912 8.715 2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.809 10.978 3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.471 11.076 1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 11.940 12.299 3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.226 11.434 2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.253 10.774 3.927 1.00 0.00 H new ATOM 1331 N TYR A 120 9.470 6.352 0.490 1.00 0.00 N ATOM 1332 CA TYR A 120 8.159 5.668 0.719 1.00 0.00 C ATOM 1333 C TYR A 120 7.768 4.646 -0.396 1.00 0.00 C ATOM 1334 O TYR A 120 7.436 3.503 -0.069 1.00 0.00 O ATOM 1335 CB TYR A 120 7.035 6.730 0.937 1.00 0.00 C ATOM 1336 CG TYR A 120 7.031 7.407 2.320 1.00 0.00 C ATOM 1337 CD1 TYR A 120 7.973 8.392 2.625 1.00 0.00 C ATOM 1338 CD2 TYR A 120 6.106 7.020 3.299 1.00 0.00 C ATOM 1339 CE1 TYR A 120 8.018 8.964 3.890 1.00 0.00 C ATOM 1340 CE2 TYR A 120 6.144 7.601 4.566 1.00 0.00 C ATOM 1341 CZ TYR A 120 7.108 8.561 4.865 1.00 0.00 C ATOM 1342 OH TYR A 120 7.199 9.082 6.127 1.00 0.00 O ATOM 0 H TYR A 120 9.378 7.351 0.308 1.00 0.00 H new ATOM 0 HA TYR A 120 8.276 5.068 1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 120 7.133 7.501 0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 120 6.069 6.250 0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 120 8.674 8.713 1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 120 5.362 6.270 3.072 1.00 0.00 H new ATOM 0 HE1 TYR A 120 8.756 9.719 4.117 1.00 0.00 H new ATOM 0 HE2 TYR A 120 5.425 7.306 5.316 1.00 0.00 H new ATOM 0 HH TYR A 120 7.569 9.988 6.081 1.00 0.00 H new ATOM 1352 N CYS A 121 7.832 5.040 -1.685 1.00 0.00 N ATOM 1353 CA CYS A 121 7.631 4.126 -2.841 1.00 0.00 C ATOM 1354 C CYS A 121 8.922 3.301 -3.179 1.00 0.00 C ATOM 1355 O CYS A 121 9.810 3.139 -2.331 1.00 0.00 O ATOM 1356 CB CYS A 121 7.076 5.004 -3.989 1.00 0.00 C ATOM 1357 SG CYS A 121 6.412 3.951 -5.320 1.00 0.00 S ATOM 0 H CYS A 121 8.025 6.003 -1.960 1.00 0.00 H new ATOM 0 HA CYS A 121 6.910 3.337 -2.625 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.293 5.660 -3.609 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.866 5.645 -4.382 1.00 0.00 H new ATOM 0 HG CYS A 121 6.538 4.562 -6.461 1.00 0.00 H new ATOM 1363 N TYR A 122 9.020 2.746 -4.407 1.00 0.00 N ATOM 1364 CA TYR A 122 10.243 2.055 -4.895 1.00 0.00 C ATOM 1365 C TYR A 122 11.190 3.132 -5.491 1.00 0.00 C ATOM 1366 O TYR A 122 10.982 3.610 -6.612 1.00 0.00 O ATOM 1367 CB TYR A 122 9.931 0.961 -5.959 1.00 0.00 C ATOM 1368 CG TYR A 122 8.991 -0.193 -5.565 1.00 0.00 C ATOM 1369 CD1 TYR A 122 9.431 -1.209 -4.707 1.00 0.00 C ATOM 1370 CD2 TYR A 122 7.699 -0.261 -6.099 1.00 0.00 C ATOM 1371 CE1 TYR A 122 8.586 -2.267 -4.381 1.00 0.00 C ATOM 1372 CE2 TYR A 122 6.859 -1.324 -5.779 1.00 0.00 C ATOM 1373 CZ TYR A 122 7.299 -2.325 -4.913 1.00 0.00 C ATOM 1374 OH TYR A 122 6.465 -3.359 -4.577 1.00 0.00 O ATOM 0 H TYR A 122 8.260 2.762 -5.088 1.00 0.00 H new ATOM 0 HA TYR A 122 10.711 1.538 -4.057 1.00 0.00 H new ATOM 0 HB2 TYR A 122 9.502 1.457 -6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 122 10.879 0.525 -6.275 1.00 0.00 H new ATOM 0 HD1 TYR A 122 10.429 -1.172 -4.297 1.00 0.00 H new ATOM 0 HD2 TYR A 122 7.352 0.516 -6.764 1.00 0.00 H new ATOM 0 HE1 TYR A 122 8.929 -3.044 -3.714 1.00 0.00 H new ATOM 0 HE2 TYR A 122 5.866 -1.374 -6.201 1.00 0.00 H new ATOM 0 HH TYR A 122 5.605 -3.247 -5.034 1.00 0.00 H new ATOM 1384 N GLY A 123 12.218 3.521 -4.720 1.00 0.00 N ATOM 1385 CA GLY A 123 13.232 4.493 -5.179 1.00 0.00 C ATOM 1386 C GLY A 123 14.462 3.739 -5.732 1.00 0.00 C ATOM 1387 O GLY A 123 14.427 3.411 -6.923 1.00 0.00 O ATOM 0 H GLY A 123 12.372 3.178 -3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 123 12.810 5.136 -5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.530 5.139 -4.354 1.00 0.00 H new ATOM 1391 N PRO A 124 15.527 3.416 -4.945 1.00 0.00 N ATOM 1392 CA PRO A 124 16.690 2.634 -5.440 1.00 0.00 C ATOM 1393 C PRO A 124 16.408 1.145 -5.828 1.00 0.00 C ATOM 1394 O PRO A 124 16.847 0.722 -6.900 1.00 0.00 O ATOM 1395 CB PRO A 124 17.719 2.803 -4.303 1.00 0.00 C ATOM 1396 CG PRO A 124 16.899 3.085 -3.041 1.00 0.00 C ATOM 1397 CD PRO A 124 15.675 3.853 -3.542 1.00 0.00 C ATOM 0 HA PRO A 124 17.037 3.005 -6.404 1.00 0.00 H new ATOM 0 HB2 PRO A 124 18.323 1.903 -4.185 1.00 0.00 H new ATOM 0 HB3 PRO A 124 18.406 3.622 -4.515 1.00 0.00 H new ATOM 0 HG2 PRO A 124 16.610 2.161 -2.541 1.00 0.00 H new ATOM 0 HG3 PRO A 124 17.469 3.672 -2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 124 14.788 3.616 -2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 124 15.825 4.931 -3.473 1.00 0.00 H new ATOM 1405 N GLN A 125 15.686 0.375 -4.983 1.00 0.00 N ATOM 1406 CA GLN A 125 15.333 -1.040 -5.261 1.00 0.00 C ATOM 1407 C GLN A 125 13.956 -1.077 -5.986 1.00 0.00 C ATOM 1408 O GLN A 125 12.895 -0.981 -5.358 1.00 0.00 O ATOM 1409 CB GLN A 125 15.364 -1.827 -3.921 1.00 0.00 C ATOM 1410 CG GLN A 125 15.211 -3.356 -4.081 1.00 0.00 C ATOM 1411 CD GLN A 125 15.282 -4.113 -2.745 1.00 0.00 C ATOM 1412 OE1 GLN A 125 14.302 -4.194 -2.005 1.00 0.00 O ATOM 1413 NE2 GLN A 125 16.431 -4.680 -2.411 1.00 0.00 N ATOM 0 H GLN A 125 15.331 0.715 -4.089 1.00 0.00 H new ATOM 0 HA GLN A 125 16.048 -1.523 -5.927 1.00 0.00 H new ATOM 0 HB2 GLN A 125 16.305 -1.619 -3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 125 14.565 -1.459 -3.278 1.00 0.00 H new ATOM 0 HG2 GLN A 125 14.257 -3.571 -4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 125 15.994 -3.726 -4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 125 17.236 -4.606 -3.033 1.00 0.00 H new ATOM 0 HE22 GLN A 125 16.511 -5.191 -1.532 1.00 0.00 H new ATOM 1422 N GLY A 126 14.013 -1.203 -7.321 1.00 0.00 N ATOM 1423 CA GLY A 126 12.823 -1.119 -8.195 1.00 0.00 C ATOM 1424 C GLY A 126 12.115 -2.462 -8.468 1.00 0.00 C ATOM 1425 O GLY A 126 12.774 -3.451 -8.805 1.00 0.00 O ATOM 0 H GLY A 126 14.883 -1.366 -7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 126 12.106 -0.434 -7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 126 13.122 -0.683 -9.148 1.00 0.00 H new ATOM 1429 N ARG A 127 10.772 -2.464 -8.364 1.00 0.00 N ATOM 1430 CA ARG A 127 9.934 -3.654 -8.701 1.00 0.00 C ATOM 1431 C ARG A 127 9.059 -3.347 -9.947 1.00 0.00 C ATOM 1432 O ARG A 127 7.931 -2.854 -9.827 1.00 0.00 O ATOM 1433 CB ARG A 127 9.106 -4.084 -7.456 1.00 0.00 C ATOM 1434 CG ARG A 127 8.576 -5.543 -7.433 1.00 0.00 C ATOM 1435 CD ARG A 127 7.253 -5.866 -8.184 1.00 0.00 C ATOM 1436 NE ARG A 127 5.983 -5.495 -7.486 1.00 0.00 N ATOM 1437 CZ ARG A 127 5.490 -6.096 -6.393 1.00 0.00 C ATOM 1438 NH1 ARG A 127 6.102 -7.057 -5.749 1.00 0.00 N ATOM 1439 NH2 ARG A 127 4.339 -5.717 -5.932 1.00 0.00 N ATOM 0 H ARG A 127 10.234 -1.657 -8.049 1.00 0.00 H new ATOM 0 HA ARG A 127 10.566 -4.502 -8.965 1.00 0.00 H new ATOM 0 HB2 ARG A 127 9.723 -3.933 -6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 127 8.252 -3.412 -7.368 1.00 0.00 H new ATOM 0 HG2 ARG A 127 9.355 -6.185 -7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 127 8.443 -5.831 -6.390 1.00 0.00 H new ATOM 0 HD2 ARG A 127 7.274 -5.357 -9.148 1.00 0.00 H new ATOM 0 HD3 ARG A 127 7.230 -6.936 -8.389 1.00 0.00 H new ATOM 0 HE ARG A 127 5.446 -4.719 -7.874 1.00 0.00 H new ATOM 0 HH11 ARG A 127 7.010 -7.391 -6.073 1.00 0.00 H new ATOM 0 HH12 ARG A 127 5.671 -7.472 -4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 127 3.823 -4.972 -6.400 1.00 0.00 H new ATOM 0 HH22 ARG A 127 3.950 -6.164 -5.102 1.00 0.00 H new ATOM 1453 N SER A 128 9.597 -3.675 -11.138 1.00 0.00 N ATOM 1454 CA SER A 128 8.868 -3.625 -12.436 1.00 0.00 C ATOM 1455 C SER A 128 8.632 -2.150 -12.922 1.00 0.00 C ATOM 1456 O SER A 128 7.755 -1.495 -12.350 1.00 0.00 O ATOM 1457 CB SER A 128 7.591 -4.499 -12.491 1.00 0.00 C ATOM 1458 OG SER A 128 7.828 -5.827 -12.036 1.00 0.00 O ATOM 0 H SER A 128 10.563 -3.987 -11.235 1.00 0.00 H new ATOM 0 HA SER A 128 9.535 -4.094 -13.159 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.813 -4.041 -11.880 1.00 0.00 H new ATOM 0 HB3 SER A 128 7.217 -4.529 -13.514 1.00 0.00 H new ATOM 0 HG SER A 128 6.996 -6.343 -12.086 1.00 0.00 H new ATOM 1464 N PRO A 129 9.367 -1.569 -13.919 1.00 0.00 N ATOM 1465 CA PRO A 129 10.341 -2.282 -14.784 1.00 0.00 C ATOM 1466 C PRO A 129 11.752 -2.389 -14.115 1.00 0.00 C ATOM 1467 O PRO A 129 12.157 -3.470 -13.682 1.00 0.00 O ATOM 1468 CB PRO A 129 10.235 -1.457 -16.088 1.00 0.00 C ATOM 1469 CG PRO A 129 9.887 -0.022 -15.669 1.00 0.00 C ATOM 1470 CD PRO A 129 9.230 -0.142 -14.291 1.00 0.00 C ATOM 0 HA PRO A 129 10.143 -3.338 -14.970 1.00 0.00 H new ATOM 0 HB2 PRO A 129 11.174 -1.483 -16.641 1.00 0.00 H new ATOM 0 HB3 PRO A 129 9.467 -1.866 -16.745 1.00 0.00 H new ATOM 0 HG2 PRO A 129 10.781 0.601 -15.624 1.00 0.00 H new ATOM 0 HG3 PRO A 129 9.211 0.443 -16.386 1.00 0.00 H new ATOM 0 HD2 PRO A 129 9.721 0.504 -13.563 1.00 0.00 H new ATOM 0 HD3 PRO A 129 8.182 0.157 -14.327 1.00 0.00 H new ATOM 1478 N TYR A 130 12.451 -1.249 -14.003 1.00 0.00 N ATOM 1479 CA TYR A 130 13.684 -1.079 -13.202 1.00 0.00 C ATOM 1480 C TYR A 130 13.549 0.357 -12.620 1.00 0.00 C ATOM 1481 O TYR A 130 14.114 1.318 -13.151 1.00 0.00 O ATOM 1482 CB TYR A 130 14.987 -1.356 -14.023 1.00 0.00 C ATOM 1483 CG TYR A 130 15.117 -0.732 -15.435 1.00 0.00 C ATOM 1484 CD1 TYR A 130 14.521 -1.363 -16.532 1.00 0.00 C ATOM 1485 CD2 TYR A 130 15.746 0.506 -15.618 1.00 0.00 C ATOM 1486 CE1 TYR A 130 14.506 -0.749 -17.780 1.00 0.00 C ATOM 1487 CE2 TYR A 130 15.729 1.121 -16.867 1.00 0.00 C ATOM 1488 CZ TYR A 130 15.112 0.497 -17.946 1.00 0.00 C ATOM 1489 OH TYR A 130 15.077 1.120 -19.167 1.00 0.00 O ATOM 0 H TYR A 130 12.170 -0.392 -14.479 1.00 0.00 H new ATOM 0 HA TYR A 130 13.785 -1.811 -12.400 1.00 0.00 H new ATOM 0 HB2 TYR A 130 15.833 -1.011 -13.429 1.00 0.00 H new ATOM 0 HB3 TYR A 130 15.090 -2.436 -14.127 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.068 -2.336 -16.409 1.00 0.00 H new ATOM 0 HD2 TYR A 130 16.245 0.985 -14.788 1.00 0.00 H new ATOM 0 HE1 TYR A 130 14.027 -1.235 -18.617 1.00 0.00 H new ATOM 0 HE2 TYR A 130 16.196 2.086 -16.998 1.00 0.00 H new ATOM 0 HH TYR A 130 15.545 1.979 -19.109 1.00 0.00 H new ATOM 1499 N ILE A 131 12.731 0.505 -11.553 1.00 0.00 N ATOM 1500 CA ILE A 131 12.187 1.826 -11.116 1.00 0.00 C ATOM 1501 C ILE A 131 13.358 2.737 -10.580 1.00 0.00 C ATOM 1502 O ILE A 131 14.044 2.304 -9.647 1.00 0.00 O ATOM 1503 CB ILE A 131 10.994 1.677 -10.100 1.00 0.00 C ATOM 1504 CG1 ILE A 131 9.814 0.802 -10.632 1.00 0.00 C ATOM 1505 CG2 ILE A 131 10.435 3.056 -9.672 1.00 0.00 C ATOM 1506 CD1 ILE A 131 8.712 0.441 -9.621 1.00 0.00 C ATOM 0 H ILE A 131 12.427 -0.276 -10.971 1.00 0.00 H new ATOM 0 HA ILE A 131 11.752 2.327 -11.981 1.00 0.00 H new ATOM 0 HB ILE A 131 11.427 1.163 -9.242 1.00 0.00 H new ATOM 0 HG12 ILE A 131 9.351 1.327 -11.467 1.00 0.00 H new ATOM 0 HG13 ILE A 131 10.229 -0.125 -11.028 1.00 0.00 H new ATOM 0 HG21 ILE A 131 9.613 2.914 -8.971 1.00 0.00 H new ATOM 0 HG22 ILE A 131 11.224 3.636 -9.193 1.00 0.00 H new ATOM 0 HG23 ILE A 131 10.074 3.591 -10.550 1.00 0.00 H new ATOM 0 HD11 ILE A 131 7.953 -0.167 -10.112 1.00 0.00 H new ATOM 0 HD12 ILE A 131 9.147 -0.120 -8.794 1.00 0.00 H new ATOM 0 HD13 ILE A 131 8.255 1.354 -9.240 1.00 0.00 H new ATOM 1518 N PRO A 132 13.627 3.961 -11.129 1.00 0.00 N ATOM 1519 CA PRO A 132 14.842 4.745 -10.789 1.00 0.00 C ATOM 1520 C PRO A 132 14.786 5.503 -9.416 1.00 0.00 C ATOM 1521 O PRO A 132 13.684 5.841 -8.966 1.00 0.00 O ATOM 1522 CB PRO A 132 14.955 5.709 -11.988 1.00 0.00 C ATOM 1523 CG PRO A 132 13.528 5.900 -12.500 1.00 0.00 C ATOM 1524 CD PRO A 132 12.866 4.546 -12.254 1.00 0.00 C ATOM 0 HA PRO A 132 15.709 4.101 -10.643 1.00 0.00 H new ATOM 0 HB2 PRO A 132 15.393 6.660 -11.686 1.00 0.00 H new ATOM 0 HB3 PRO A 132 15.598 5.294 -12.765 1.00 0.00 H new ATOM 0 HG2 PRO A 132 13.015 6.699 -11.965 1.00 0.00 H new ATOM 0 HG3 PRO A 132 13.515 6.165 -13.557 1.00 0.00 H new ATOM 0 HD2 PRO A 132 11.811 4.660 -12.003 1.00 0.00 H new ATOM 0 HD3 PRO A 132 12.917 3.913 -13.140 1.00 0.00 H new ATOM 1532 N PRO A 133 15.932 5.829 -8.742 1.00 0.00 N ATOM 1533 CA PRO A 133 15.942 6.641 -7.497 1.00 0.00 C ATOM 1534 C PRO A 133 15.633 8.146 -7.737 1.00 0.00 C ATOM 1535 O PRO A 133 15.994 8.717 -8.772 1.00 0.00 O ATOM 1536 CB PRO A 133 17.368 6.405 -6.962 1.00 0.00 C ATOM 1537 CG PRO A 133 18.227 6.124 -8.197 1.00 0.00 C ATOM 1538 CD PRO A 133 17.284 5.401 -9.160 1.00 0.00 C ATOM 0 HA PRO A 133 15.160 6.349 -6.796 1.00 0.00 H new ATOM 0 HB2 PRO A 133 17.733 7.277 -6.420 1.00 0.00 H new ATOM 0 HB3 PRO A 133 17.393 5.565 -6.268 1.00 0.00 H new ATOM 0 HG2 PRO A 133 18.609 7.047 -8.633 1.00 0.00 H new ATOM 0 HG3 PRO A 133 19.091 5.507 -7.948 1.00 0.00 H new ATOM 0 HD2 PRO A 133 17.486 5.676 -10.195 1.00 0.00 H new ATOM 0 HD3 PRO A 133 17.398 4.319 -9.090 1.00 0.00 H new ATOM 1546 N HIS A 134 14.960 8.766 -6.749 1.00 0.00 N ATOM 1547 CA HIS A 134 14.603 10.220 -6.750 1.00 0.00 C ATOM 1548 C HIS A 134 13.385 10.530 -7.681 1.00 0.00 C ATOM 1549 O HIS A 134 13.061 9.762 -8.594 1.00 0.00 O ATOM 1550 CB HIS A 134 15.804 11.205 -6.952 1.00 0.00 C ATOM 1551 CG HIS A 134 16.993 11.168 -5.972 1.00 0.00 C ATOM 1552 ND1 HIS A 134 18.020 12.093 -6.036 1.00 0.00 N ATOM 1553 CD2 HIS A 134 17.262 10.249 -4.931 1.00 0.00 C ATOM 1554 CE1 HIS A 134 18.821 11.640 -5.021 1.00 0.00 C ATOM 1555 NE2 HIS A 134 18.458 10.537 -4.292 1.00 0.00 N ATOM 0 H HIS A 134 14.640 8.277 -5.913 1.00 0.00 H new ATOM 0 HA HIS A 134 14.283 10.424 -5.728 1.00 0.00 H new ATOM 0 HB2 HIS A 134 16.201 11.034 -7.953 1.00 0.00 H new ATOM 0 HB3 HIS A 134 15.401 12.218 -6.938 1.00 0.00 H new ATOM 0 HD2 HIS A 134 16.616 9.425 -4.667 1.00 0.00 H new ATOM 0 HE1 HIS A 134 19.743 12.154 -4.794 1.00 0.00 H new ATOM 0 HE2 HIS A 134 18.926 10.070 -3.515 1.00 0.00 H new ATOM 1563 N ALA A 135 12.696 11.665 -7.416 1.00 0.00 N ATOM 1564 CA ALA A 135 11.433 12.078 -8.096 1.00 0.00 C ATOM 1565 C ALA A 135 10.205 11.306 -7.544 1.00 0.00 C ATOM 1566 O ALA A 135 10.209 10.070 -7.491 1.00 0.00 O ATOM 1567 CB ALA A 135 11.452 12.084 -9.643 1.00 0.00 C ATOM 0 H ALA A 135 13.003 12.336 -6.712 1.00 0.00 H new ATOM 0 HA ALA A 135 11.341 13.133 -7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 135 10.479 12.401 -10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 135 12.219 12.774 -9.995 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.672 11.081 -10.008 1.00 0.00 H new ATOM 1573 N ALA A 136 9.155 12.047 -7.143 1.00 0.00 N ATOM 1574 CA ALA A 136 7.967 11.459 -6.481 1.00 0.00 C ATOM 1575 C ALA A 136 7.037 10.732 -7.491 1.00 0.00 C ATOM 1576 O ALA A 136 6.480 11.367 -8.386 1.00 0.00 O ATOM 1577 CB ALA A 136 7.218 12.568 -5.717 1.00 0.00 C ATOM 0 H ALA A 136 9.102 13.058 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 136 8.299 10.698 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 136 6.342 12.144 -5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 136 7.879 13.003 -4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 136 6.903 13.343 -6.416 1.00 0.00 H new ATOM 1583 N LEU A 137 6.903 9.401 -7.352 1.00 0.00 N ATOM 1584 CA LEU A 137 6.237 8.531 -8.362 1.00 0.00 C ATOM 1585 C LEU A 137 4.696 8.523 -8.157 1.00 0.00 C ATOM 1586 O LEU A 137 4.215 8.267 -7.050 1.00 0.00 O ATOM 1587 CB LEU A 137 6.899 7.123 -8.257 1.00 0.00 C ATOM 1588 CG LEU A 137 6.547 6.069 -9.348 1.00 0.00 C ATOM 1589 CD1 LEU A 137 7.656 5.010 -9.471 1.00 0.00 C ATOM 1590 CD2 LEU A 137 5.204 5.340 -9.128 1.00 0.00 C ATOM 0 H LEU A 137 7.250 8.890 -6.540 1.00 0.00 H new ATOM 0 HA LEU A 137 6.376 8.906 -9.376 1.00 0.00 H new ATOM 0 HB2 LEU A 137 7.980 7.261 -8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 137 6.636 6.701 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 137 6.454 6.650 -10.265 1.00 0.00 H new ATOM 0 HD11 LEU A 137 7.385 4.286 -10.240 1.00 0.00 H new ATOM 0 HD12 LEU A 137 8.593 5.495 -9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 137 7.777 4.497 -8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 137 5.041 4.626 -9.935 1.00 0.00 H new ATOM 0 HD22 LEU A 137 5.229 4.812 -8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 137 4.392 6.068 -9.119 1.00 0.00 H new ATOM 1602 N CYS A 138 3.942 8.755 -9.250 1.00 0.00 N ATOM 1603 CA CYS A 138 2.456 8.737 -9.242 1.00 0.00 C ATOM 1604 C CYS A 138 1.879 7.308 -9.440 1.00 0.00 C ATOM 1605 O CYS A 138 1.682 6.840 -10.566 1.00 0.00 O ATOM 1606 CB CYS A 138 1.928 9.756 -10.273 1.00 0.00 C ATOM 1607 SG CYS A 138 2.495 9.421 -11.972 1.00 0.00 S ATOM 0 H CYS A 138 4.341 8.961 -10.166 1.00 0.00 H new ATOM 0 HA CYS A 138 2.104 9.041 -8.256 1.00 0.00 H new ATOM 0 HB2 CYS A 138 0.838 9.751 -10.253 1.00 0.00 H new ATOM 0 HB3 CYS A 138 2.247 10.756 -9.981 1.00 0.00 H new ATOM 0 HG CYS A 138 1.709 10.018 -12.818 1.00 0.00 H new ATOM 1613 N LEU A 139 1.606 6.629 -8.308 1.00 0.00 N ATOM 1614 CA LEU A 139 0.951 5.294 -8.283 1.00 0.00 C ATOM 1615 C LEU A 139 -0.582 5.485 -8.098 1.00 0.00 C ATOM 1616 O LEU A 139 -1.037 5.863 -7.015 1.00 0.00 O ATOM 1617 CB LEU A 139 1.583 4.331 -7.230 1.00 0.00 C ATOM 1618 CG LEU A 139 1.683 4.799 -5.740 1.00 0.00 C ATOM 1619 CD1 LEU A 139 1.214 3.733 -4.735 1.00 0.00 C ATOM 1620 CD2 LEU A 139 3.101 5.268 -5.370 1.00 0.00 C ATOM 0 H LEU A 139 1.832 6.987 -7.380 1.00 0.00 H new ATOM 0 HA LEU A 139 1.123 4.798 -9.238 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.010 3.404 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 139 2.591 4.089 -7.568 1.00 0.00 H new ATOM 0 HG LEU A 139 1.001 5.646 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.309 4.122 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.172 3.482 -4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.828 2.839 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 139 3.119 5.583 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.805 4.448 -5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 139 3.385 6.106 -6.007 1.00 0.00 H new ATOM 1632 N GLU A 140 -1.372 5.240 -9.161 1.00 0.00 N ATOM 1633 CA GLU A 140 -2.847 5.470 -9.125 1.00 0.00 C ATOM 1634 C GLU A 140 -3.598 4.231 -8.536 1.00 0.00 C ATOM 1635 O GLU A 140 -3.726 3.183 -9.180 1.00 0.00 O ATOM 1636 CB GLU A 140 -3.345 5.924 -10.521 1.00 0.00 C ATOM 1637 CG GLU A 140 -4.783 6.505 -10.535 1.00 0.00 C ATOM 1638 CD GLU A 140 -5.162 7.187 -11.840 1.00 0.00 C ATOM 1639 OE1 GLU A 140 -5.490 6.482 -12.817 1.00 0.00 O ATOM 1640 OE2 GLU A 140 -5.146 8.435 -11.884 1.00 0.00 O ATOM 0 H GLU A 140 -1.026 4.886 -10.053 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.080 6.286 -8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.659 6.677 -10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -3.304 5.073 -11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.491 5.700 -10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.882 7.222 -9.720 1.00 0.00 H new ATOM 1647 N VAL A 141 -4.066 4.394 -7.287 1.00 0.00 N ATOM 1648 CA VAL A 141 -4.689 3.314 -6.471 1.00 0.00 C ATOM 1649 C VAL A 141 -6.226 3.334 -6.739 1.00 0.00 C ATOM 1650 O VAL A 141 -6.887 4.349 -6.493 1.00 0.00 O ATOM 1651 CB VAL A 141 -4.358 3.515 -4.944 1.00 0.00 C ATOM 1652 CG1 VAL A 141 -4.986 2.434 -4.026 1.00 0.00 C ATOM 1653 CG2 VAL A 141 -2.845 3.572 -4.618 1.00 0.00 C ATOM 0 H VAL A 141 -4.026 5.289 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 141 -4.287 2.340 -6.752 1.00 0.00 H new ATOM 0 HB VAL A 141 -4.805 4.488 -4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -4.716 2.636 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -6.071 2.454 -4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -4.613 1.451 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -2.709 3.712 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -2.371 2.640 -4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -2.389 4.404 -5.154 1.00 0.00 H new ATOM 1663 N THR A 142 -6.781 2.192 -7.183 1.00 0.00 N ATOM 1664 CA THR A 142 -8.257 1.977 -7.230 1.00 0.00 C ATOM 1665 C THR A 142 -8.542 0.551 -6.686 1.00 0.00 C ATOM 1666 O THR A 142 -8.018 -0.433 -7.211 1.00 0.00 O ATOM 1667 CB THR A 142 -8.872 2.167 -8.655 1.00 0.00 C ATOM 1668 OG1 THR A 142 -8.374 3.345 -9.278 1.00 0.00 O ATOM 1669 CG2 THR A 142 -10.408 2.234 -8.676 1.00 0.00 C ATOM 0 H THR A 142 -6.237 1.397 -7.517 1.00 0.00 H new ATOM 0 HA THR A 142 -8.737 2.737 -6.614 1.00 0.00 H new ATOM 0 HB THR A 142 -8.568 1.275 -9.202 1.00 0.00 H new ATOM 0 HG1 THR A 142 -9.125 3.913 -9.552 1.00 0.00 H new ATOM 0 HG21 THR A 142 -10.752 2.367 -9.702 1.00 0.00 H new ATOM 0 HG22 THR A 142 -10.818 1.308 -8.272 1.00 0.00 H new ATOM 0 HG23 THR A 142 -10.744 3.075 -8.069 1.00 0.00 H new ATOM 1677 N LEU A 143 -9.433 0.433 -5.684 1.00 0.00 N ATOM 1678 CA LEU A 143 -9.930 -0.887 -5.202 1.00 0.00 C ATOM 1679 C LEU A 143 -10.958 -1.476 -6.211 1.00 0.00 C ATOM 1680 O LEU A 143 -12.080 -0.973 -6.335 1.00 0.00 O ATOM 1681 CB LEU A 143 -10.493 -0.748 -3.756 1.00 0.00 C ATOM 1682 CG LEU A 143 -11.083 -2.019 -3.070 1.00 0.00 C ATOM 1683 CD1 LEU A 143 -10.118 -3.222 -3.013 1.00 0.00 C ATOM 1684 CD2 LEU A 143 -11.568 -1.690 -1.646 1.00 0.00 C ATOM 0 H LEU A 143 -9.829 1.231 -5.187 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.107 -1.600 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -9.692 -0.369 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -11.273 0.013 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 143 -11.918 -2.321 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -10.610 -4.060 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -9.836 -3.511 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -9.225 -2.946 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -11.976 -2.589 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -10.730 -1.325 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -12.341 -0.923 -1.693 1.00 0.00 H new ATOM 1696 N LYS A 144 -10.545 -2.552 -6.908 1.00 0.00 N ATOM 1697 CA LYS A 144 -11.439 -3.304 -7.836 1.00 0.00 C ATOM 1698 C LYS A 144 -12.363 -4.316 -7.083 1.00 0.00 C ATOM 1699 O LYS A 144 -13.587 -4.198 -7.196 1.00 0.00 O ATOM 1700 CB LYS A 144 -10.621 -3.962 -8.989 1.00 0.00 C ATOM 1701 CG LYS A 144 -9.917 -2.978 -9.959 1.00 0.00 C ATOM 1702 CD LYS A 144 -9.290 -3.637 -11.212 1.00 0.00 C ATOM 1703 CE LYS A 144 -7.975 -4.393 -10.937 1.00 0.00 C ATOM 1704 NZ LYS A 144 -7.396 -4.941 -12.197 1.00 0.00 N ATOM 0 H LYS A 144 -9.598 -2.927 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 144 -12.116 -2.586 -8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -9.865 -4.612 -8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -11.291 -4.598 -9.568 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -10.640 -2.230 -10.283 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -9.135 -2.450 -9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -10.012 -4.331 -11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -9.103 -2.866 -11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -7.258 -3.721 -10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -8.159 -5.206 -10.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -6.569 -5.530 -11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -8.110 -5.519 -12.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -7.105 -4.157 -12.815 1.00 0.00 H new ATOM 1718 N THR A 145 -11.788 -5.293 -6.347 1.00 0.00 N ATOM 1719 CA THR A 145 -12.566 -6.300 -5.570 1.00 0.00 C ATOM 1720 C THR A 145 -11.862 -6.556 -4.205 1.00 0.00 C ATOM 1721 O THR A 145 -10.655 -6.815 -4.146 1.00 0.00 O ATOM 1722 CB THR A 145 -12.780 -7.647 -6.329 1.00 0.00 C ATOM 1723 OG1 THR A 145 -11.539 -8.207 -6.755 1.00 0.00 O ATOM 1724 CG2 THR A 145 -13.722 -7.563 -7.541 1.00 0.00 C ATOM 0 H THR A 145 -10.778 -5.411 -6.271 1.00 0.00 H new ATOM 0 HA THR A 145 -13.560 -5.882 -5.415 1.00 0.00 H new ATOM 0 HB THR A 145 -13.263 -8.290 -5.593 1.00 0.00 H new ATOM 0 HG1 THR A 145 -11.705 -9.050 -7.226 1.00 0.00 H new ATOM 0 HG21 THR A 145 -13.809 -8.546 -8.003 1.00 0.00 H new ATOM 0 HG22 THR A 145 -14.706 -7.228 -7.214 1.00 0.00 H new ATOM 0 HG23 THR A 145 -13.320 -6.855 -8.266 1.00 0.00 H new ATOM 1732 N ALA A 146 -12.662 -6.531 -3.123 1.00 0.00 N ATOM 1733 CA ALA A 146 -12.220 -6.942 -1.765 1.00 0.00 C ATOM 1734 C ALA A 146 -12.841 -8.327 -1.449 1.00 0.00 C ATOM 1735 O ALA A 146 -14.066 -8.454 -1.341 1.00 0.00 O ATOM 1736 CB ALA A 146 -12.656 -5.875 -0.742 1.00 0.00 C ATOM 0 H ALA A 146 -13.635 -6.226 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 146 -11.134 -7.026 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -12.333 -6.174 0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -12.202 -4.918 -0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -13.742 -5.778 -0.758 1.00 0.00 H new ATOM 1742 N VAL A 147 -11.989 -9.364 -1.352 1.00 0.00 N ATOM 1743 CA VAL A 147 -12.437 -10.785 -1.259 1.00 0.00 C ATOM 1744 C VAL A 147 -11.572 -11.537 -0.209 1.00 0.00 C ATOM 1745 O VAL A 147 -10.346 -11.409 -0.173 1.00 0.00 O ATOM 1746 CB VAL A 147 -12.449 -11.535 -2.640 1.00 0.00 C ATOM 1747 CG1 VAL A 147 -13.592 -11.055 -3.561 1.00 0.00 C ATOM 1748 CG2 VAL A 147 -11.111 -11.542 -3.422 1.00 0.00 C ATOM 0 H VAL A 147 -10.975 -9.253 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 147 -13.477 -10.774 -0.934 1.00 0.00 H new ATOM 0 HB VAL A 147 -12.622 -12.570 -2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -13.556 -11.604 -4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -14.551 -11.232 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -13.477 -9.989 -3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -11.239 -12.087 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -10.810 -10.517 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -10.341 -12.027 -2.822 1.00 0.00 H new ATOM 1758 N ASP A 148 -12.225 -12.374 0.613 1.00 0.00 N ATOM 1759 CA ASP A 148 -11.539 -13.215 1.634 1.00 0.00 C ATOM 1760 C ASP A 148 -10.797 -14.457 1.030 1.00 0.00 C ATOM 1761 O ASP A 148 -11.128 -14.962 -0.053 1.00 0.00 O ATOM 1762 CB ASP A 148 -12.585 -13.625 2.707 1.00 0.00 C ATOM 1763 CG ASP A 148 -13.025 -12.486 3.626 1.00 0.00 C ATOM 1764 OD1 ASP A 148 -12.228 -12.081 4.499 1.00 0.00 O ATOM 1765 OD2 ASP A 148 -14.164 -11.995 3.476 1.00 0.00 O ATOM 0 H ASP A 148 -13.238 -12.494 0.597 1.00 0.00 H new ATOM 0 HA ASP A 148 -10.745 -12.624 2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -13.463 -14.030 2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -12.168 -14.427 3.316 1.00 0.00 H new ATOM 1770 N GLY A 149 -9.782 -14.945 1.772 1.00 0.00 N ATOM 1771 CA GLY A 149 -8.957 -16.105 1.359 1.00 0.00 C ATOM 1772 C GLY A 149 -9.737 -17.453 1.295 1.00 0.00 C ATOM 1773 O GLY A 149 -10.283 -17.835 2.337 1.00 0.00 O ATOM 0 H GLY A 149 -9.510 -14.549 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -8.527 -15.900 0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -8.126 -16.212 2.056 1.00 0.00 H new